smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])C1(NCc2cc(-c3ccccc3)no2)CCCCCC1 ZINC001601719790 971044406 /nfs/dbraw/zinc/04/44/06/971044406.db2.gz CRVNENRNPUVUHE-UHFFFAOYSA-N -1 1 314.385 3.609 20 0 DHADMM Cc1c(COC(C)(C)C)cccc1NC(=O)c1cncc([O-])c1 ZINC000339917346 1013076279 /nfs/dbraw/zinc/07/62/79/1013076279.db2.gz MLOQIQYGDIEVQK-UHFFFAOYSA-N -1 1 314.385 3.663 20 0 DHADMM O=C([O-])C[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000054298317 948929660 /nfs/dbraw/zinc/92/96/60/948929660.db2.gz SGTPUVBWBCGFFH-SNVBAGLBSA-N -1 1 302.201 3.680 20 0 DHADMM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2ccc(Cl)cc2Cl)C1 ZINC000263157865 950300372 /nfs/dbraw/zinc/30/03/72/950300372.db2.gz FXUCJKRMFRMZPP-GXSJLCMTSA-N -1 1 302.201 3.536 20 0 DHADMM O=C([O-])[C@@H](NCc1cc2c(cccc2O)s1)c1ccccc1 ZINC001595161140 952196320 /nfs/dbraw/zinc/19/63/20/952196320.db2.gz XTKKHOXYCJMDGD-INIZCTEOSA-N -1 1 313.378 3.522 20 0 DHADMM C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000652495673 954088321 /nfs/dbraw/zinc/08/83/21/954088321.db2.gz AQQCKGSMRUNGJY-STQMWFEESA-N -1 1 308.422 3.610 20 0 DHADMM CC(C)(C)c1cnc(CN2CCCC[C@H]2CCC(=O)[O-])s1 ZINC000901998211 956597897 /nfs/dbraw/zinc/59/78/97/956597897.db2.gz QZTCTUQFTGEWJT-LBPRGKRZSA-N -1 1 310.463 3.660 20 0 DHADMM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2cncc([O-])c2)cc1 ZINC000339955035 1013162664 /nfs/dbraw/zinc/16/26/64/1013162664.db2.gz IUTOTDUWNXZHDE-KBXCAEBGSA-N -1 1 310.397 3.709 20 0 DHADMM COc1ccc(NC(=O)c2cc3ccccc3cc2[O-])c(O)c1 ZINC000443566759 1013173226 /nfs/dbraw/zinc/17/32/26/1013173226.db2.gz NGUMZGBDZBHVNE-UHFFFAOYSA-N -1 1 309.321 3.512 20 0 DHADMM O=C(NC[C@H](c1ccccc1)C1CC1)c1c(F)ccc([O-])c1F ZINC000294591245 1032069829 /nfs/dbraw/zinc/06/98/29/1032069829.db2.gz MLPQKEWXZBUYPB-CYBMUJFWSA-N -1 1 317.335 3.594 20 0 DHADMM Cc1ccc(CN(C)Cc2cc(C(=O)[O-])ccc2F)cc1C ZINC001231461145 960613664 /nfs/dbraw/zinc/61/36/64/960613664.db2.gz UNZXMKGGIKALRL-UHFFFAOYSA-N -1 1 301.361 3.773 20 0 DHADMM C[C@H]1c2c(Cl)cc(Cl)cc2CCN1CCCC(=O)[O-] ZINC000262180221 961527988 /nfs/dbraw/zinc/52/79/88/961527988.db2.gz DNRAIEZJESRIQT-VIFPVBQESA-N -1 1 302.201 3.777 20 0 DHADMM O=C([O-])[C@H]1CCCN(c2ccnc3cc(C(F)(F)F)ccc32)C1 ZINC000263392655 962552610 /nfs/dbraw/zinc/55/26/10/962552610.db2.gz GQYDCQIGEREFIC-JTQLQIEISA-N -1 1 324.302 3.555 20 0 DHADMM CC(C)n1c(CNCc2ccc(C(=O)[O-])cc2)nc2ccccc21 ZINC001588980564 962714357 /nfs/dbraw/zinc/71/43/57/962714357.db2.gz HCWGAIMNQSXZCT-UHFFFAOYSA-N -1 1 323.396 3.605 20 0 DHADMM C[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000652366590 1013380650 /nfs/dbraw/zinc/38/06/50/1013380650.db2.gz BZKGGAWNOGWHIV-RNCFNFMXSA-N -1 1 302.201 3.851 20 0 DHADMM CN(Cc1cc(Cl)ccc1F)C(=O)c1ccc([O-])c(F)c1 ZINC000683421042 1013469053 /nfs/dbraw/zinc/46/90/53/1013469053.db2.gz AZTGTBGSSPDLDL-UHFFFAOYSA-N -1 1 311.715 3.596 20 0 DHADMM CCC[C@@H](CC)S(=O)(=O)[N-]c1cccc2ccc(C)nc21 ZINC000578838060 1013491983 /nfs/dbraw/zinc/49/19/83/1013491983.db2.gz MKEUFLDYROXZCK-CQSZACIVSA-N -1 1 306.431 3.864 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(-c2ccccc2)[nH]c1=O ZINC000340328983 1013498095 /nfs/dbraw/zinc/49/80/95/1013498095.db2.gz RXNBFRYVSARBOY-UHFFFAOYSA-N -1 1 324.311 3.551 20 0 DHADMM C[C@H](SCc1ccccc1)C(=O)Nc1ccc(F)cc1[O-] ZINC000340332050 1013499667 /nfs/dbraw/zinc/49/96/67/1013499667.db2.gz FWKQYSXBSKLVHJ-NSHDSACASA-N -1 1 305.374 3.792 20 0 DHADMM CO[C@H](c1nc(-c2ccc([O-])cc2F)no1)C1CCCCC1 ZINC000664849105 1013499747 /nfs/dbraw/zinc/49/97/47/1013499747.db2.gz CSKAKBVYLLGBQH-AWEZNQCLSA-N -1 1 306.337 3.849 20 0 DHADMM Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(F)cc1[O-] ZINC000340331606 1013500660 /nfs/dbraw/zinc/50/06/60/1013500660.db2.gz XVBITKPJOVYGEC-UHFFFAOYSA-N -1 1 308.378 3.747 20 0 DHADMM CSc1ccc([O-])c(-c2nc([C@H]3CCOC(C)(C)C3)no2)c1 ZINC000664902054 1013562939 /nfs/dbraw/zinc/56/29/39/1013562939.db2.gz MUIMTXCJKWTHCA-JTQLQIEISA-N -1 1 320.414 3.837 20 0 DHADMM COc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)c(Cl)c1 ZINC000683592300 1013698740 /nfs/dbraw/zinc/69/87/40/1013698740.db2.gz ZEUCEPFIXZNQFK-UHFFFAOYSA-N -1 1 320.707 3.910 20 0 DHADMM O=C([O-])C[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000086756860 967575219 /nfs/dbraw/zinc/57/52/19/967575219.db2.gz NWNRMVDIAXCDCY-SNVBAGLBSA-N -1 1 302.201 3.680 20 0 DHADMM C[C@H]1CCN(Cc2cc(Cl)ccc2Cl)C[C@H]1C(=O)[O-] ZINC000574276897 968454594 /nfs/dbraw/zinc/45/45/94/968454594.db2.gz NYGGITNUDKOMOZ-JOYOIKCWSA-N -1 1 302.201 3.536 20 0 DHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1CCC(F)(F)CC1 ZINC000340456992 1013812969 /nfs/dbraw/zinc/81/29/69/1013812969.db2.gz BGDJVHVDJDBVKM-UHFFFAOYSA-N -1 1 321.327 3.546 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCOc2ccccc21 ZINC000070333859 1013823227 /nfs/dbraw/zinc/82/32/27/1013823227.db2.gz CYICHHWVYAVBFP-GFCCVEGCSA-N -1 1 303.745 3.550 20 0 DHADMM CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000334091213 1013885771 /nfs/dbraw/zinc/88/57/71/1013885771.db2.gz BZCFUYGFQMOCIR-GWCFXTLKSA-N -1 1 311.809 3.753 20 0 DHADMM CC[C@H]1CCC[C@@H](NC(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000334091256 1013885825 /nfs/dbraw/zinc/88/58/25/1013885825.db2.gz HWUCOJHYQIICDM-CMPLNLGQSA-N -1 1 311.809 3.753 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CSc2ccccc21 ZINC000079909891 1013907236 /nfs/dbraw/zinc/90/72/36/1013907236.db2.gz SNICTKIMKJPWGZ-NSHDSACASA-N -1 1 305.786 3.874 20 0 DHADMM CCC(C)(C)[C@H](C)NC(=O)c1ccc(Br)c([O-])c1 ZINC000617570369 1022995831 /nfs/dbraw/zinc/99/58/31/1022995831.db2.gz PHRNQWAYNODYBP-VIFPVBQESA-N -1 1 314.223 3.709 20 0 DHADMM CSc1cccc(F)c1CNCc1ccc(C(=O)[O-])s1 ZINC001604971677 972564433 /nfs/dbraw/zinc/56/44/33/972564433.db2.gz IQGJTFHHNFJQSF-UHFFFAOYSA-N -1 1 311.403 3.597 20 0 DHADMM [O-]c1c(Cl)cc(Nc2cc(Cl)ncc2CO)cc1Cl ZINC001210927219 1014089361 /nfs/dbraw/zinc/08/93/61/1014089361.db2.gz RSIKGVADADRYMB-UHFFFAOYSA-N -1 1 319.575 3.983 20 0 DHADMM [O-]c1c(Br)c(F)ccc1Nc1c[nH]c2ncccc12 ZINC001210947685 1014094824 /nfs/dbraw/zinc/09/48/24/1014094824.db2.gz SDZOOTOVQCHUQR-UHFFFAOYSA-N -1 1 322.137 3.914 20 0 DHADMM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc([O-])c(F)c3)C2)cc1 ZINC000683891145 1014095335 /nfs/dbraw/zinc/09/53/35/1014095335.db2.gz YVXLVZIWOXCUPU-CZUORRHYSA-N -1 1 313.372 3.858 20 0 DHADMM O=C(N[C@H]1CC[C@H](Cc2ccccc2)C1)c1ccc([O-])cc1F ZINC000189352704 1014178800 /nfs/dbraw/zinc/17/88/00/1014178800.db2.gz IPKYKBWGVAXYOR-CABCVRRESA-N -1 1 313.372 3.673 20 0 DHADMM Cc1cc(CN2CC[C@H](C(F)(F)F)C(C)(C)C2)oc1C(=O)[O-] ZINC000568066148 974659722 /nfs/dbraw/zinc/65/97/22/974659722.db2.gz RBJMQSVLBJTPSV-NSHDSACASA-N -1 1 319.323 3.697 20 0 DHADMM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccsc1Cl ZINC000189740842 1014210808 /nfs/dbraw/zinc/21/08/08/1014210808.db2.gz QBPIUVYVLNHOLG-UHFFFAOYSA-N -1 1 305.783 3.650 20 0 DHADMM C[C@H]1CCN(Cc2nc(C(=O)[O-])cs2)CC12CCCCC2 ZINC000572654122 974752455 /nfs/dbraw/zinc/75/24/55/974752455.db2.gz YXBIWBPGMHIAEY-LBPRGKRZSA-N -1 1 308.447 3.634 20 0 DHADMM Cc1oc(CN(C)CCSc2ccc(F)cc2)cc1C(=O)[O-] ZINC000576642757 974819425 /nfs/dbraw/zinc/81/94/25/974819425.db2.gz JWGMSGPVPKHTAN-UHFFFAOYSA-N -1 1 323.389 3.649 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CN1CC[C@H](C)C[C@H]1c1ccco1 ZINC000576710547 974820734 /nfs/dbraw/zinc/82/07/34/974820734.db2.gz MBZWBQQWNXZBBU-FZMZJTMJSA-N -1 1 303.358 3.852 20 0 DHADMM CCCCCOc1ccc(CN=c2[n-]nc(C)n2C2CC2)cc1 ZINC000340700899 1014467553 /nfs/dbraw/zinc/46/75/53/1014467553.db2.gz ITLBLJNNQNLMLW-UHFFFAOYSA-N -1 1 314.433 3.524 20 0 DHADMM Cc1nc(-c2cccc(NC(=O)c3ccccc3[O-])c2)[nH]c1C ZINC000729525537 1014476430 /nfs/dbraw/zinc/47/64/30/1014476430.db2.gz GLNCUYRGJRMDNS-UHFFFAOYSA-N -1 1 307.353 3.651 20 0 DHADMM C/C(=C/C(=O)Nc1cc(C)cc(Br)c1[O-])C1CC1 ZINC000588396289 1014478574 /nfs/dbraw/zinc/47/85/74/1014478574.db2.gz VJQVOWULOOPSMR-CLFYSBASSA-N -1 1 310.191 3.758 20 0 DHADMM C[C@H](CN(C)[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001592579590 978489796 /nfs/dbraw/zinc/48/97/96/978489796.db2.gz VIRGMJNBKADOPR-NEPJUHHUSA-N -1 1 304.415 3.638 20 0 DHADMM C[C@@]1(NCc2ccc(/C=C/C(=O)[O-])o2)CCCc2ccccc21 ZINC000901439685 980288570 /nfs/dbraw/zinc/28/85/70/980288570.db2.gz WUFHQDXXYZIZFG-GNISGLHKSA-N -1 1 311.381 3.719 20 0 DHADMM CC[C@@H](NCc1ccc(C(=O)[O-])cc1F)c1ccc(F)cc1 ZINC001595299369 980426644 /nfs/dbraw/zinc/42/66/44/980426644.db2.gz RAUAPOOMJYKEJX-MRXNPFEDSA-N -1 1 305.324 3.904 20 0 DHADMM CCc1cccc2cc(CN[C@@H](C[C@@H](C)CC)C(=O)[O-])oc21 ZINC000901674033 980437422 /nfs/dbraw/zinc/43/74/22/980437422.db2.gz JTWVZZJBAMPPHB-LRDDRELGSA-N -1 1 303.402 3.974 20 0 DHADMM Cc1cc(CNCc2ccc(C(C)(C)C)s2)oc1C(=O)[O-] ZINC000901939791 980641167 /nfs/dbraw/zinc/64/11/67/980641167.db2.gz WLLQZHKQXQWGFF-UHFFFAOYSA-N -1 1 307.415 3.935 20 0 DHADMM Cc1ccc([C@@H](NCc2ccc(/C=C/C(=O)[O-])o2)C2CC2)cc1 ZINC000902088645 980727503 /nfs/dbraw/zinc/72/75/03/980727503.db2.gz URYXFEPOTIDFKB-GNISGLHKSA-N -1 1 311.381 3.927 20 0 DHADMM Cc1cc([C@H](C)NCc2ccc(/C=C\C(=O)[O-])o2)c(C)s1 ZINC000902110733 980739524 /nfs/dbraw/zinc/73/95/24/980739524.db2.gz CQHCDECDUIFELM-ZADCQDASSA-N -1 1 305.399 3.907 20 0 DHADMM CCOc1cccc([C@@H](C)NCc2cc(C(=O)[O-])c(CC)o2)c1 ZINC000902163913 980763398 /nfs/dbraw/zinc/76/33/98/980763398.db2.gz FVCHJEIDYJGZOM-GFCCVEGCSA-N -1 1 317.385 3.790 20 0 DHADMM CC[C@@H](c1ccccc1OC)N(C)Cc1cc(C(=O)[O-])c(C)[nH]1 ZINC001595364211 980791739 /nfs/dbraw/zinc/79/17/39/980791739.db2.gz QBDXZENZNQFTEL-INIZCTEOSA-N -1 1 316.401 3.613 20 0 DHADMM O=C([O-])/C=C\c1ccc(CNC2(c3ccc(F)cc3)CCC2)o1 ZINC000902372136 980859286 /nfs/dbraw/zinc/85/92/86/980859286.db2.gz HPUDLLLDKYHOBT-HJWRWDBZSA-N -1 1 315.344 3.686 20 0 DHADMM Cc1ncc([C@H](C)NCc2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC000902383744 980864859 /nfs/dbraw/zinc/86/48/59/980864859.db2.gz ZUHKOYXPGPVURI-QMMMGPOBSA-N -1 1 310.806 3.654 20 0 DHADMM CC[C@@H](OCCNCc1cc(C)c(C(=O)[O-])o1)c1ccccc1 ZINC000902403137 980872085 /nfs/dbraw/zinc/87/20/85/980872085.db2.gz OBILWNIBDXAABC-MRXNPFEDSA-N -1 1 317.385 3.544 20 0 DHADMM CCC[C@@](C)(NCc1nc(C(=O)[O-])cs1)c1ccccc1 ZINC001595558813 981438176 /nfs/dbraw/zinc/43/81/76/981438176.db2.gz DDWCDKNCROAWSG-MRXNPFEDSA-N -1 1 304.415 3.646 20 0 DHADMM CCCC[C@H](C(=O)[O-])N1CCc2c(Cl)c(Cl)ccc2C1 ZINC001595627937 981778897 /nfs/dbraw/zinc/77/88/97/981778897.db2.gz BERVVQVZLIWSPD-CYBMUJFWSA-N -1 1 316.228 3.995 20 0 DHADMM COc1cc(C(=O)N2CCCC[C@@H]2C(C)C)cc(Cl)c1[O-] ZINC000442964176 1014779659 /nfs/dbraw/zinc/77/96/59/1014779659.db2.gz JYRRJTPOJPOWGE-CYBMUJFWSA-N -1 1 311.809 3.705 20 0 DHADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000443404137 1014903305 /nfs/dbraw/zinc/90/33/05/1014903305.db2.gz DKIQFUHWPPWDFX-UHFFFAOYSA-N -1 1 311.790 3.540 20 0 DHADMM Cc1nc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)c(C)s1 ZINC000443516702 1014978812 /nfs/dbraw/zinc/97/88/12/1014978812.db2.gz FSPNFFMXDXXVGG-UHFFFAOYSA-N -1 1 321.349 3.567 20 0 DHADMM Cc1c(=O)[n-]c(SCCC2(O)CCC2)nc1-c1ccccc1 ZINC000581594778 1015030181 /nfs/dbraw/zinc/03/01/81/1015030181.db2.gz ZFWXRDWKQMBTKB-UHFFFAOYSA-N -1 1 316.426 3.555 20 0 DHADMM C/C(=C/C(=O)[O-])CSc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC001588951993 984683667 /nfs/dbraw/zinc/68/36/67/984683667.db2.gz JZJTWVLHTFRCRN-DAXSKMNVSA-N -1 1 316.304 3.705 20 0 DHADMM C/C(=C\c1ccccc1)CN(C)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001589003497 984953332 /nfs/dbraw/zinc/95/33/32/984953332.db2.gz BREBTZBEEBXKPX-WTPCJXRQSA-N -1 1 311.381 3.913 20 0 DHADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1 ZINC000029046217 1015100836 /nfs/dbraw/zinc/10/08/36/1015100836.db2.gz WNBRBMDFVRZKJC-UHFFFAOYSA-N -1 1 323.389 3.661 20 0 DHADMM CCCc1cc(=O)[n-]c(S[C@@H](C)C(=O)c2ccc(F)cc2)n1 ZINC000011443576 1015117884 /nfs/dbraw/zinc/11/78/84/1015117884.db2.gz HYNOWFIMXPDNMU-JTQLQIEISA-N -1 1 320.389 3.637 20 0 DHADMM C[C@H]1c2ccccc2CN1CCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC001599937111 985409353 /nfs/dbraw/zinc/40/93/53/985409353.db2.gz PMZYZOMIMQVXBY-SHQCLWGWSA-N -1 1 323.392 3.740 20 0 DHADMM CCCC[C@H](C(=O)[O-])N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000656759004 1015129126 /nfs/dbraw/zinc/12/91/26/1015129126.db2.gz SRTKDTYVHYTURY-CYBMUJFWSA-N -1 1 316.228 3.995 20 0 DHADMM CCC[C@H](C(=O)[O-])N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000656758924 1015129751 /nfs/dbraw/zinc/12/97/51/1015129751.db2.gz PZNRMEVVMLGIIP-GFCCVEGCSA-N -1 1 302.201 3.605 20 0 DHADMM Cc1[nH]c(CN(C)Cc2ccc(C(C)(C)C)cc2)cc1C(=O)[O-] ZINC001599963065 985832377 /nfs/dbraw/zinc/83/23/77/985832377.db2.gz WCVQUKXJUGWQJC-UHFFFAOYSA-N -1 1 314.429 3.951 20 0 DHADMM C[C@@H]1CN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)[C@H]1c1ccccc1 ZINC001594533154 986136196 /nfs/dbraw/zinc/13/61/96/986136196.db2.gz AUSCIAUHGRANGO-KZULUSFZSA-N -1 1 310.397 3.783 20 0 DHADMM Cc1cnc(SCCOc2cccc(C(C)(C)C)c2)[n-]c1=O ZINC000581677464 1015205937 /nfs/dbraw/zinc/20/59/37/1015205937.db2.gz BLTZBICJTNGPOX-UHFFFAOYSA-N -1 1 318.442 3.959 20 0 DHADMM CCOc1cccc([C@H](C)NCc2ccc(C(=O)[O-])cc2F)c1 ZINC001597150183 986925615 /nfs/dbraw/zinc/92/56/15/986925615.db2.gz ONQODPVHWGOZRX-LBPRGKRZSA-N -1 1 317.360 3.773 20 0 DHADMM CCSc1cccc(CNCc2cc(C(=O)[O-])oc2C)c1 ZINC001597277248 987333756 /nfs/dbraw/zinc/33/37/56/987333756.db2.gz KSZOIQSJPVQQCU-UHFFFAOYSA-N -1 1 305.399 3.688 20 0 DHADMM CC[C@H](N[C@H](C)c1cncc(C(=O)[O-])c1)c1ccccc1F ZINC001597349335 987485002 /nfs/dbraw/zinc/48/50/02/987485002.db2.gz HALQIFVCNWOCJY-BZNIZROVSA-N -1 1 302.349 3.721 20 0 DHADMM CCc1[nH]c(CN2CC[C@H](C)[C@@H]3CCCC[C@@H]32)cc1C(=O)[O-] ZINC001597385000 987592711 /nfs/dbraw/zinc/59/27/11/987592711.db2.gz PHHOLSPMMNWZBN-JDFRZJQESA-N -1 1 304.434 3.676 20 0 DHADMM CCc1[nH]c(C[N@H+]2CCC[C@@H]2c2ccccc2C)cc1C(=O)[O-] ZINC001597386718 987607596 /nfs/dbraw/zinc/60/75/96/987607596.db2.gz NPEPPEVPHXFSAD-GOSISDBHSA-N -1 1 312.413 3.921 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC[C@H](CC(C)C)C1 ZINC000759281876 1015333352 /nfs/dbraw/zinc/33/33/52/1015333352.db2.gz JQZOGAJYOUIOPF-CQSZACIVSA-N -1 1 319.449 3.512 20 0 DHADMM CCc1ccc([C@@H]2C[C@H](C)CCN2Cc2ccc(C(=O)[O-])[nH]2)o1 ZINC001597518333 988136716 /nfs/dbraw/zinc/13/67/16/988136716.db2.gz SOXHEKPAQJXIPB-WBMJQRKESA-N -1 1 316.401 3.842 20 0 DHADMM CSc1cc(C)ccc1CN[C@@H](C)c1cc(C(=O)[O-])co1 ZINC001599808581 988296755 /nfs/dbraw/zinc/29/67/55/988296755.db2.gz MCUKQLHRVGCUHQ-NSHDSACASA-N -1 1 305.399 3.859 20 0 DHADMM CCc1ccc2c(c1)CCN(Cc1cc(C(=O)[O-])sc1C)C2 ZINC001597568868 988329563 /nfs/dbraw/zinc/32/95/63/988329563.db2.gz KUOKGVAZDONDEQ-UHFFFAOYSA-N -1 1 315.438 3.875 20 0 DHADMM CSc1ccc(CN2CCc3cc(C(=O)[O-])ccc3C2)s1 ZINC001599812755 988365997 /nfs/dbraw/zinc/36/59/97/988365997.db2.gz CZWQDCLOJYOION-UHFFFAOYSA-N -1 1 319.451 3.727 20 0 DHADMM C[C@@H](NCc1c[nH]c(C(=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC001599841397 988840660 /nfs/dbraw/zinc/84/06/60/988840660.db2.gz FHJGMFGOMPNFHA-MRVPVSSYSA-N -1 1 313.184 3.871 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN1C[C@H](C)C[C@@H]1c1cccnc1 ZINC001597762648 989197019 /nfs/dbraw/zinc/19/70/19/989197019.db2.gz IHCZVJAYVAPGNI-IUODEOHRSA-N -1 1 314.385 3.518 20 0 DHADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1 ZINC000014254484 1015594445 /nfs/dbraw/zinc/59/44/45/1015594445.db2.gz LUQDGASROWPROE-UHFFFAOYSA-N -1 1 307.390 3.825 20 0 DHADMM CC(C)C1(C)CCN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)CC1 ZINC001591061329 991499372 /nfs/dbraw/zinc/49/93/72/991499372.db2.gz GWTJULOLUZIWCJ-UHFFFAOYSA-N -1 1 315.417 3.519 20 0 DHADMM CC(C)C[C@@H](NCc1oncc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001591184943 991989949 /nfs/dbraw/zinc/98/99/49/991989949.db2.gz ZKZKWVABOUCSRR-CQSZACIVSA-N -1 1 322.792 3.903 20 0 DHADMM O=C(c1ccc(Br)c([O-])c1)N1CC[C@H]1C1CCCC1 ZINC000889405662 1033663050 /nfs/dbraw/zinc/66/30/50/1033663050.db2.gz VFMJNCMFNLUHOW-ZDUSSCGKSA-N -1 1 324.218 3.559 20 0 DHADMM C[C@@H](N[C@H]1CCCc2c(F)cccc21)c1cc(C(=O)[O-])co1 ZINC001593218619 994288453 /nfs/dbraw/zinc/28/84/53/994288453.db2.gz JTZYZOKACNDIGK-BMIGLBTASA-N -1 1 303.333 3.845 20 0 DHADMM C[C@@H](NC/C=C\c1ccc(Cl)cc1)c1ncc(C(=O)[O-])s1 ZINC001593256284 994519969 /nfs/dbraw/zinc/51/99/69/994519969.db2.gz GZXVWDSEXQQMDE-MXQLGCADSA-N -1 1 322.817 3.859 20 0 DHADMM COc1cccc([C@H](C)NCc2cc(C(=O)[O-])ccc2Cl)c1 ZINC001599657015 994596957 /nfs/dbraw/zinc/59/69/57/994596957.db2.gz KHANILQOJSMKBX-NSHDSACASA-N -1 1 319.788 3.898 20 0 DHADMM C[C@H](NCc1ccccc1CC(=O)[O-])c1ccc(F)cc1Cl ZINC001593305199 994759949 /nfs/dbraw/zinc/75/99/49/994759949.db2.gz UTQNASWACVKPQM-NSHDSACASA-N -1 1 321.779 3.957 20 0 DHADMM C[C@@H](c1cc2ccccc2o1)N(C)Cc1ccc(C(=O)[O-])n1C ZINC001593687272 996126575 /nfs/dbraw/zinc/12/65/75/996126575.db2.gz PERFLWFKPPSHFF-LBPRGKRZSA-N -1 1 312.369 3.663 20 0 DHADMM C[C@H](c1cccnc1)N(C)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC001593719491 996243890 /nfs/dbraw/zinc/24/38/90/996243890.db2.gz NKJBZPCXQGAUID-LLVKDONJSA-N -1 1 304.777 3.626 20 0 DHADMM C[C@@H](c1nc(C(=O)[O-])co1)N1CC[C@H](C)C2(CCCCC2)C1 ZINC001593724776 996269326 /nfs/dbraw/zinc/26/93/26/996269326.db2.gz IXKIZEUAZNJPBA-STQMWFEESA-N -1 1 306.406 3.726 20 0 DHADMM C[C@@H](c1nc(C(=O)[O-])co1)N1CCC[C@H](C2CCCCC2)C1 ZINC001593725983 996286348 /nfs/dbraw/zinc/28/63/48/996286348.db2.gz XFBSBDXOWDAYFW-JSGCOSHPSA-N -1 1 306.406 3.726 20 0 DHADMM C[C@H](c1nc(C(=O)[O-])co1)N1CCC[C@@H](c2ccccc2)CC1 ZINC001593726138 996287582 /nfs/dbraw/zinc/28/75/82/996287582.db2.gz ZWOMVWMVVBUOQV-UKRRQHHQSA-N -1 1 314.385 3.704 20 0 DHADMM COCC[C@H](N[C@@H](C)c1cc(C(=O)[O-])cs1)c1ccc(C)o1 ZINC001599218182 997619786 /nfs/dbraw/zinc/61/97/86/997619786.db2.gz OXVMNROICKWIIM-AAEUAGOBSA-N -1 1 323.414 3.776 20 0 DHADMM C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1cccc(C(=O)[O-])c1Cl ZINC001594177424 998689027 /nfs/dbraw/zinc/68/90/27/998689027.db2.gz XLMZMUTWVOHJLT-KCJUWKMLSA-N -1 1 321.726 3.811 20 0 DHADMM C[C@H]1C[C@H](c2ccccc2F)N(Cc2cccc(C(=O)[O-])n2)C1 ZINC001594269590 999041613 /nfs/dbraw/zinc/04/16/13/999041613.db2.gz KRVOOMVIPKSMCA-YVEFUNNKSA-N -1 1 314.360 3.502 20 0 DHADMM C[C@H]1C[C@@H]1c1ccc(CNCc2ccc(C(=O)[O-])c(F)c2)o1 ZINC001594280159 999087223 /nfs/dbraw/zinc/08/72/23/999087223.db2.gz RYJPGWYHFYCISU-HZMBPMFUSA-N -1 1 303.333 3.530 20 0 DHADMM CO[C@H](CN[C@@H](C)c1cc(C(=O)[O-])co1)c1ccccc1Cl ZINC001599054634 999220969 /nfs/dbraw/zinc/22/09/69/999220969.db2.gz XNKWJWRSCKZJRA-ZUZCIYMTSA-N -1 1 323.776 3.670 20 0 DHADMM CCC[C@H](C)CCC[N@H+]1CCC[C@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934269155 1016340985 /nfs/dbraw/zinc/34/09/85/1016340985.db2.gz DUMDCWHTGGMDCL-KBPBESRZSA-N -1 1 307.438 3.544 20 0 DHADMM CC(C)[C@H](NC(=O)c1cncc([O-])c1)c1ccc(Cl)cc1F ZINC000622499281 1016427299 /nfs/dbraw/zinc/42/72/99/1016427299.db2.gz RDOMNQKEDPHKNG-HNNXBMFYSA-N -1 1 322.767 3.707 20 0 DHADMM CC1(C)C[C@@H](NC(=O)c2cc3ccccc3cc2[O-])C(C)(C)O1 ZINC000622492006 1016434486 /nfs/dbraw/zinc/43/44/86/1016434486.db2.gz KXKWHRBGENJGDF-MRXNPFEDSA-N -1 1 313.397 3.621 20 0 DHADMM CSc1ccccc1[N-]C(=O)c1nnc(C(C)(C)C)s1 ZINC000281297903 1016455313 /nfs/dbraw/zinc/45/53/13/1016455313.db2.gz YNYSCRSSCMFQCX-UHFFFAOYSA-N -1 1 307.444 3.810 20 0 DHADMM O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1cc(-c2cccs2)on1 ZINC000336852036 1016721235 /nfs/dbraw/zinc/72/12/35/1016721235.db2.gz HXVFCTLTHKLQOF-ZDUSSCGKSA-N -1 1 320.414 3.622 20 0 DHADMM O=C([O-])CC[C@@H]1CCCCN1Cc1cc(-c2cccs2)on1 ZINC000336852036 1016721250 /nfs/dbraw/zinc/72/12/50/1016721250.db2.gz HXVFCTLTHKLQOF-ZDUSSCGKSA-N -1 1 320.414 3.622 20 0 DHADMM C[C@H]1CCCC[C@H]1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684870158 1016744444 /nfs/dbraw/zinc/74/44/44/1016744444.db2.gz PQKQIJVDBKVBGW-JOYOIKCWSA-N -1 1 301.308 3.720 20 0 DHADMM C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000684869192 1016749283 /nfs/dbraw/zinc/74/92/83/1016749283.db2.gz OZDZUCWRYMLJFD-AOOOYVTPSA-N -1 1 301.308 3.529 20 0 DHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000684875390 1016766621 /nfs/dbraw/zinc/76/66/21/1016766621.db2.gz GREQSIBOLCRZKE-RYUDHWBXSA-N -1 1 313.319 3.673 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC1CCC(C(C)C)CC1 ZINC000763801730 1016784156 /nfs/dbraw/zinc/78/41/56/1016784156.db2.gz OSKRILQAFJSXOX-UHFFFAOYSA-N -1 1 319.449 3.559 20 0 DHADMM CC[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])[C@@H](CC)CO1 ZINC000403811440 1017058810 /nfs/dbraw/zinc/05/88/10/1017058810.db2.gz HKQLRIANIKCCJO-GJZGRUSLSA-N -1 1 313.397 3.575 20 0 DHADMM O=C(NCc1ccc2occc2c1)c1c([O-])cccc1Cl ZINC001146507605 1032223201 /nfs/dbraw/zinc/22/32/01/1032223201.db2.gz ZSBPBUNDTOSGJV-UHFFFAOYSA-N -1 1 301.729 3.722 20 0 DHADMM C[C@@H]1[C@H](C)SCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000118287889 1032242051 /nfs/dbraw/zinc/24/20/51/1032242051.db2.gz GRVZFJVTPWIKMX-NEPJUHHUSA-N -1 1 301.411 3.511 20 0 DHADMM Cc1c(CNC(=O)c2cccc([O-])c2F)oc2ccc(F)cc12 ZINC001146868232 1032253804 /nfs/dbraw/zinc/25/38/04/1032253804.db2.gz GAWRQCOSICTXGR-UHFFFAOYSA-N -1 1 317.291 3.655 20 0 DHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])c1cc(C2CC2)on1 ZINC001146922050 1032260388 /nfs/dbraw/zinc/26/03/88/1032260388.db2.gz DGELALITMLBNSH-UHFFFAOYSA-N -1 1 312.247 3.529 20 0 DHADMM O=C([N-]c1c(F)cc(F)cc1F)c1ccc(Br)o1 ZINC000088722527 1032313212 /nfs/dbraw/zinc/31/32/12/1032313212.db2.gz GTYRZTDQYUZXQR-UHFFFAOYSA-N -1 1 320.064 3.712 20 0 DHADMM CCC(C)(C)OC1CN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC001147596218 1032326309 /nfs/dbraw/zinc/32/63/09/1032326309.db2.gz PTTWLNYDLQIYOY-UHFFFAOYSA-N -1 1 313.397 3.575 20 0 DHADMM CCOC(=O)c1sc(/C=C/c2ccc([O-])c(F)c2)nc1C ZINC000121168150 1032422135 /nfs/dbraw/zinc/42/21/35/1032422135.db2.gz JXKWQBJJVBOYLE-FNORWQNLSA-N -1 1 307.346 3.643 20 0 DHADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc3ccccc32)c1 ZINC000121698536 1032465461 /nfs/dbraw/zinc/46/54/61/1032465461.db2.gz UXPVDHQQAWLEKB-UHFFFAOYSA-N -1 1 320.348 3.756 20 0 DHADMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(F)(F)F ZINC000122223519 1032514815 /nfs/dbraw/zinc/51/48/15/1032514815.db2.gz HGKMHJSYWYPEDD-UHFFFAOYSA-N -1 1 315.316 3.815 20 0 DHADMM O=C([O-])C[C@H](NCc1sccc1Cl)c1cccs1 ZINC000394140267 1012364925 /nfs/dbraw/zinc/36/49/25/1012364925.db2.gz UHXXYJPCXLQIMI-VIFPVBQESA-N -1 1 301.820 3.769 20 0 DHADMM Cc1cc(CNC(=O)c2cncc([O-])c2)ccc1-c1ccccc1 ZINC001625803793 1012516513 /nfs/dbraw/zinc/51/65/13/1012516513.db2.gz CYABBYBLCDYYGN-UHFFFAOYSA-N -1 1 318.376 3.693 20 0 DHADMM CCc1[n-]n(-c2ncc(Cl)cc2Cl)c(=O)c1C(C)C ZINC000634584312 1012623098 /nfs/dbraw/zinc/62/30/98/1012623098.db2.gz ZERMDHVQMROMLN-LLVKDONJSA-N -1 1 300.189 3.773 20 0 DHADMM C[C@@]1(C(F)(F)F)CCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000874485152 1032650187 /nfs/dbraw/zinc/65/01/87/1032650187.db2.gz LIRBDRAKQQFQOD-MRXNPFEDSA-N -1 1 323.314 3.960 20 0 DHADMM C[C@]1(C(F)(F)F)CCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000874484831 1032650614 /nfs/dbraw/zinc/65/06/14/1032650614.db2.gz DOUHEKCJPPSTEE-INIZCTEOSA-N -1 1 323.314 3.960 20 0 DHADMM Cc1nc(-c2ccc(N[C@H](C(C)C)C3CC3)nc2)[n-]c(=O)c1C ZINC000664546132 1012726517 /nfs/dbraw/zinc/72/65/17/1012726517.db2.gz MNKZBABOZWWYBW-MRXNPFEDSA-N -1 1 312.417 3.708 20 0 DHADMM C[C@H]1CCN(Cc2c(Cl)cccc2Cl)C[C@@H]1C(=O)[O-] ZINC000516768971 1012826636 /nfs/dbraw/zinc/82/66/36/1012826636.db2.gz KADBMCKDBFPVBM-UWVGGRQHSA-N -1 1 302.201 3.536 20 0 DHADMM CO[C@@H](C)CO[C@H](C)COc1cc(Cl)c([O-])cc1Cl ZINC001227644731 1017123056 /nfs/dbraw/zinc/12/30/56/1017123056.db2.gz CUDWKRGBYPSTPF-DTWKUNHWSA-N -1 1 309.189 3.518 20 0 DHADMM O=C(NC1CCC(F)(F)CC1)c1ccc2ccc(O)cc2c1[O-] ZINC000897252477 1017201246 /nfs/dbraw/zinc/20/12/46/1017201246.db2.gz BGYKEGZLRCKCMB-UHFFFAOYSA-N -1 1 321.323 3.559 20 0 DHADMM CCOc1cc(-c2noc(-c3ccncc3)n2)cc(Cl)c1[O-] ZINC000350798070 1017332274 /nfs/dbraw/zinc/33/22/74/1017332274.db2.gz WBLJIWWHNCMIOE-UHFFFAOYSA-N -1 1 317.732 3.556 20 0 DHADMM Cc1ccc(C)c(NC(=O)Nc2cc3ccc([O-])cc3oc2=O)c1 ZINC001202757581 1032700449 /nfs/dbraw/zinc/70/04/49/1032700449.db2.gz LMFPQMBYKFPQPK-UHFFFAOYSA-N -1 1 324.336 3.759 20 0 DHADMM COc1cc(C(=O)N(CC2CCC2)C(C)C)cc(Cl)c1[O-] ZINC000444532651 1017565795 /nfs/dbraw/zinc/56/57/95/1017565795.db2.gz VDPVJSVSABERGJ-UHFFFAOYSA-N -1 1 311.809 3.705 20 0 DHADMM CC(C)c1nsc([N-]C(=O)c2cc(F)c(Cl)cc2F)n1 ZINC000874695667 1032708404 /nfs/dbraw/zinc/70/84/04/1032708404.db2.gz KPTCYTJVAVMHIH-UHFFFAOYSA-N -1 1 317.748 3.845 20 0 DHADMM O=C([N-]c1cnoc1)c1occc1CSc1ccccc1 ZINC000623940447 1017597334 /nfs/dbraw/zinc/59/73/34/1017597334.db2.gz GGVZCTVFIIMLTO-UHFFFAOYSA-N -1 1 300.339 3.812 20 0 DHADMM Cc1ccc(C)c(NC(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001202758097 1032712564 /nfs/dbraw/zinc/71/25/64/1032712564.db2.gz YDEZNJTYEDDEHR-UHFFFAOYSA-N -1 1 322.368 3.839 20 0 DHADMM C[C@H](C1CCCCC1)N(C)C(=O)c1ncc2ccccc2c1[O-] ZINC001626097443 1017752763 /nfs/dbraw/zinc/75/27/63/1017752763.db2.gz XKHUNQJRGQYPCD-CYBMUJFWSA-N -1 1 312.413 3.981 20 0 DHADMM [O-]c1ccc(-c2nc(Cc3ccc4c(c3)CCC4)no2)c(F)c1 ZINC000445382677 1017843481 /nfs/dbraw/zinc/84/34/81/1017843481.db2.gz BREPWYOPIWFSRJ-UHFFFAOYSA-N -1 1 310.328 3.661 20 0 DHADMM Cc1cccc(-c2nc(-c3ccc([O-])cc3Cl)no2)c1O ZINC000445449054 1017855436 /nfs/dbraw/zinc/85/54/36/1017855436.db2.gz XSOBBOSFUSOOQI-UHFFFAOYSA-N -1 1 302.717 3.777 20 0 DHADMM Cc1cccnc1/C=C\c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445447522 1017866156 /nfs/dbraw/zinc/86/61/56/1017866156.db2.gz HWLYNUCLYZCBRU-SREVYHEPSA-N -1 1 313.744 3.969 20 0 DHADMM Cc1[nH]c2ccccc2c1Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445478681 1017876012 /nfs/dbraw/zinc/87/60/12/1017876012.db2.gz RUVSVXVEEXZRIU-UHFFFAOYSA-N -1 1 323.327 3.962 20 0 DHADMM C[C@H](Sc1ccccn1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445484051 1017877816 /nfs/dbraw/zinc/87/78/16/1017877816.db2.gz UWMIBTRYDSFILX-VIFPVBQESA-N -1 1 317.345 3.830 20 0 DHADMM Cc1cccc(C)c1OCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445484289 1017877923 /nfs/dbraw/zinc/87/79/23/1017877923.db2.gz YQFSFWGNOFEEAQ-UHFFFAOYSA-N -1 1 314.316 3.777 20 0 DHADMM [O-]c1ccc(-c2noc(CCc3cc(F)ccc3F)n2)cc1F ZINC000445484032 1017878354 /nfs/dbraw/zinc/87/83/54/1017878354.db2.gz USIHIEZEWVNRNM-UHFFFAOYSA-N -1 1 320.270 3.645 20 0 DHADMM CCCN1C(=O)c2ccccc2N[C@@H]1c1cc(F)c([O-])c(F)c1 ZINC000674239877 1017906342 /nfs/dbraw/zinc/90/63/42/1017906342.db2.gz WGZUVRPARSHVFZ-INIZCTEOSA-N -1 1 318.323 3.647 20 0 DHADMM CC(C)n1ncc2cc(NC(=O)c3cc(F)ccc3[O-])ccc21 ZINC000674326970 1017953175 /nfs/dbraw/zinc/95/31/75/1017953175.db2.gz UPQGZHFSMHDEFM-UHFFFAOYSA-N -1 1 313.332 3.714 20 0 DHADMM COc1cc(C(=O)N[C@@H](C)c2cc(C)oc2C)cc(Cl)c1[O-] ZINC000153681516 1017971348 /nfs/dbraw/zinc/97/13/48/1017971348.db2.gz MYJLFXITQMMRGG-VIFPVBQESA-N -1 1 323.776 3.755 20 0 DHADMM CC(C)(C)c1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)no1 ZINC000278071537 1018033816 /nfs/dbraw/zinc/03/38/16/1018033816.db2.gz FOZNHNZKQIYGNC-UHFFFAOYSA-N -1 1 303.293 3.534 20 0 DHADMM CCc1nc2cc(NC(=O)c3c(F)ccc([O-])c3F)ccc2o1 ZINC000343081268 1018118800 /nfs/dbraw/zinc/11/88/00/1018118800.db2.gz VOWPSWPUHLCNML-UHFFFAOYSA-N -1 1 318.279 3.626 20 0 DHADMM CC(C)[C@@H]1C[C@H](Cc2nc(-c3ccc([O-])c(F)c3)no2)CCO1 ZINC000278126789 1018175925 /nfs/dbraw/zinc/17/59/25/1018175925.db2.gz JWORPDFJXYLEIR-ABAIWWIYSA-N -1 1 320.364 3.575 20 0 DHADMM CCOC(=O)c1ccc(Nc2cc(F)c([O-])c(F)c2)c(F)c1 ZINC001213379404 1018178530 /nfs/dbraw/zinc/17/85/30/1018178530.db2.gz WMLHSHBSQNQJSS-UHFFFAOYSA-N -1 1 311.259 3.730 20 0 DHADMM Cc1ccc(-c2n[nH]c(NC(=O)C3CCCCCCC3)n2)o1 ZINC000764337715 1018248059 /nfs/dbraw/zinc/24/80/59/1018248059.db2.gz KMPFAHZJBWEZCE-UHFFFAOYSA-N -1 1 302.378 3.672 20 0 DHADMM Cn1c2ccccc2c(Cl)c1C(=O)Nc1cccc(F)c1[O-] ZINC001302486141 1018320968 /nfs/dbraw/zinc/32/09/68/1018320968.db2.gz OSTHTYVADUMWAZ-UHFFFAOYSA-N -1 1 318.735 3.929 20 0 DHADMM CCN(Cc1ccc2ccccc2c1)C(=O)c1ncccc1[O-] ZINC000343185774 1018353919 /nfs/dbraw/zinc/35/39/19/1018353919.db2.gz AXRXAMCTLSCVDC-UHFFFAOYSA-N -1 1 306.365 3.603 20 0 DHADMM C[C@H](CC(=O)Nc1c([O-])cccc1F)C(=O)c1cccc(F)c1 ZINC000074824863 1018359459 /nfs/dbraw/zinc/35/94/59/1018359459.db2.gz WPHNTOSVNHUBRY-SNVBAGLBSA-N -1 1 319.307 3.518 20 0 DHADMM Cc1cc(F)ccc1-c1ccc(C=C2SC(=O)[N-]C2=O)o1 ZINC000874927361 1032760625 /nfs/dbraw/zinc/76/06/25/1032760625.db2.gz HCRDFCUEBAYYPG-NTUHNPAUSA-N -1 1 303.314 3.718 20 0 DHADMM CCCCCCOc1cccc(C=C2SC(=O)[N-]C2=O)c1 ZINC000874928976 1032763733 /nfs/dbraw/zinc/76/37/33/1032763733.db2.gz YRVBBMMMLMWIKN-KAMYIIQDSA-N -1 1 305.399 3.970 20 0 DHADMM Cc1cnc2c(NC(=O)c3cncc([O-])c3)cccc2c1Cl ZINC001168537163 1018483475 /nfs/dbraw/zinc/48/34/75/1018483475.db2.gz FGKLYGRGKBHKRZ-UHFFFAOYSA-N -1 1 313.744 3.550 20 0 DHADMM Cc1cnc(C(=O)N(C)[C@H](c2ccc(F)cc2)C(C)C)c([O-])c1 ZINC000447858702 1018492903 /nfs/dbraw/zinc/49/29/03/1018492903.db2.gz NOPANWJTNPCBCE-KRWDZBQOSA-N -1 1 316.376 3.704 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1cc(C(F)(F)F)ccc1F ZINC000675522721 1018516748 /nfs/dbraw/zinc/51/67/48/1018516748.db2.gz BWHSSHIQEIJDRF-UHFFFAOYSA-N -1 1 317.213 3.942 20 0 DHADMM Cc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1N1CCCC1 ZINC000874945129 1032769750 /nfs/dbraw/zinc/76/97/50/1032769750.db2.gz ZTKHJLKBKAJMLO-UHFFFAOYSA-N -1 1 314.360 3.692 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N1CCC=C(c2ccco2)C1 ZINC000804182980 1018784674 /nfs/dbraw/zinc/78/46/74/1018784674.db2.gz JIZKEEIXHNLPDQ-UHFFFAOYSA-N -1 1 303.745 3.568 20 0 DHADMM COc1cc(C(C)=O)ccc1SCC(=O)c1ccc([O-])cc1 ZINC000676725099 1018822321 /nfs/dbraw/zinc/82/23/21/1018822321.db2.gz IYLVKLDUWZUQEU-UHFFFAOYSA-N -1 1 316.378 3.578 20 0 DHADMM O=C(OCc1nc(Cl)ccc1Cl)c1ccc([O-])cc1F ZINC000765504024 1018828314 /nfs/dbraw/zinc/82/83/14/1018828314.db2.gz RTNXDLKBDORDRH-UHFFFAOYSA-N -1 1 316.115 3.590 20 0 DHADMM Cc1c(F)cccc1-c1ccc(CN2[C@H](C)CC[C@@H]2C(=O)[O-])o1 ZINC000650794691 1018948540 /nfs/dbraw/zinc/94/85/40/1018948540.db2.gz FBMDCRMNYGSYKA-BDJLRTHQSA-N -1 1 317.360 3.832 20 0 DHADMM O=C([N-]c1nncs1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000021215226 1018952148 /nfs/dbraw/zinc/95/21/48/1018952148.db2.gz PYQXIYFGOXVRAH-UHFFFAOYSA-N -1 1 322.802 3.567 20 0 DHADMM Cc1sc([C@H](C)NCc2ccc(C)cc2C)nc1C(=O)[O-] ZINC000900074705 1018979966 /nfs/dbraw/zinc/97/99/66/1018979966.db2.gz ATQOIUZWEJAOBJ-NSHDSACASA-N -1 1 304.415 3.617 20 0 DHADMM CSc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000006919627 1018984770 /nfs/dbraw/zinc/98/47/70/1018984770.db2.gz XYZWLKQVOJPYLH-UHFFFAOYSA-N -1 1 319.451 3.698 20 0 DHADMM O=C(CCCOc1ccc(F)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000111666532 1019048702 /nfs/dbraw/zinc/04/87/02/1019048702.db2.gz BAIUIFJWLSVPLA-UHFFFAOYSA-N -1 1 323.751 3.982 20 0 DHADMM O=c1[nH]cnc2ccc(Nc3cc(F)c([O-])c(Cl)c3)cc12 ZINC001214488971 1019216495 /nfs/dbraw/zinc/21/64/95/1019216495.db2.gz RHMWMJGPEAKKJV-UHFFFAOYSA-N -1 1 305.696 3.577 20 0 DHADMM Cc1cnc(-c2cccc(NC(=O)c3cc(F)ccc3[O-])c2)o1 ZINC000081959120 1019239117 /nfs/dbraw/zinc/23/91/17/1019239117.db2.gz PDSQCZXZOFJKEM-UHFFFAOYSA-N -1 1 312.300 3.747 20 0 DHADMM O=S(=O)([N-]Cc1ccccc1)c1cc(Cl)sc1Cl ZINC000032548435 1019243288 /nfs/dbraw/zinc/24/32/88/1019243288.db2.gz CUQRABSDJHCMTR-UHFFFAOYSA-N -1 1 322.238 3.533 20 0 DHADMM Cc1c(-c2noc(-c3ncccc3[O-])n2)cccc1C(F)(F)F ZINC001212480663 1019418142 /nfs/dbraw/zinc/41/81/42/1019418142.db2.gz BKCMBBQKECNASZ-UHFFFAOYSA-N -1 1 321.258 3.831 20 0 DHADMM O=C(Nc1cccc(COCc2ccco2)c1)c1ccccc1[O-] ZINC000046676121 1019472952 /nfs/dbraw/zinc/47/29/52/1019472952.db2.gz BQFQHIQWHWAGGC-UHFFFAOYSA-N -1 1 323.348 3.954 20 0 DHADMM Cc1ccc([C@H]2CCCN2C(=O)c2cc(F)ccc2[O-])s1 ZINC000094150734 1019612388 /nfs/dbraw/zinc/61/23/88/1019612388.db2.gz LTGVZUDUXPCZGD-CYBMUJFWSA-N -1 1 305.374 3.879 20 0 DHADMM O=C(Nc1nnc(C(F)F)s1)c1cc2ccccc2cc1[O-] ZINC000144483922 1019673809 /nfs/dbraw/zinc/67/38/09/1019673809.db2.gz HENZRNKXMPZWTF-UHFFFAOYSA-N -1 1 321.308 3.587 20 0 DHADMM O=C(Nc1cccc(C(=O)c2ccccc2)c1)c1ccccc1[O-] ZINC000224406162 1019721650 /nfs/dbraw/zinc/72/16/50/1019721650.db2.gz JOSYTKLYAGKXKU-UHFFFAOYSA-N -1 1 317.344 3.876 20 0 DHADMM COc1ccc2oc(C(=O)Nc3ccc(F)cc3[O-])c(C)c2c1 ZINC000531756279 1019786700 /nfs/dbraw/zinc/78/67/00/1019786700.db2.gz HAASUVAQNBQWPL-UHFFFAOYSA-N -1 1 315.300 3.847 20 0 DHADMM CCSc1ccc(CNCc2cc(C(=O)[O-])c(CC)o2)cc1 ZINC000902334715 1019786523 /nfs/dbraw/zinc/78/65/23/1019786523.db2.gz BQUOPPCTMADGPA-UHFFFAOYSA-N -1 1 319.426 3.942 20 0 DHADMM Cc1ncsc1CN(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000171689629 1019797857 /nfs/dbraw/zinc/79/78/57/1019797857.db2.gz MDHDJPVBKPDMAW-UHFFFAOYSA-N -1 1 312.394 3.583 20 0 DHADMM CCOc1ccc([C@@H](C)NC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000685416137 1019804000 /nfs/dbraw/zinc/80/40/00/1019804000.db2.gz YJAQJTVDQJEYRP-SNVBAGLBSA-N -1 1 321.323 3.560 20 0 DHADMM CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1 ZINC000068074892 1019846359 /nfs/dbraw/zinc/84/63/59/1019846359.db2.gz MJKWQORCTNMTGS-UHFFFAOYSA-N -1 1 317.410 3.641 20 0 DHADMM CCc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1 ZINC000673458675 1019963205 /nfs/dbraw/zinc/96/32/05/1019963205.db2.gz AFOQODROUQOGTL-UHFFFAOYSA-N -1 1 311.353 3.987 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N1CC[C@H](c2ccccc2F)C1 ZINC000730591851 1020007121 /nfs/dbraw/zinc/00/71/21/1020007121.db2.gz PHDVSKDTDIBFFK-NSHDSACASA-N -1 1 319.763 3.814 20 0 DHADMM O=C1[N-]C(=S)SC1=Cc1cnc(-c2ccccn2)s1 ZINC000084502763 1020027784 /nfs/dbraw/zinc/02/77/84/1020027784.db2.gz BZVATWWBYHFXGJ-WEVVVXLNSA-N -1 1 305.409 3.534 20 0 DHADMM C[C@@H](CCc1ccco1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000069728029 1020058466 /nfs/dbraw/zinc/05/84/66/1020058466.db2.gz DCIJKDWEGDQGLB-ZDUSSCGKSA-N -1 1 309.365 3.890 20 0 DHADMM CCCCCc1nnc([N-]C(=O)c2ncoc2C(C)C)s1 ZINC000731876282 1020159739 /nfs/dbraw/zinc/15/97/39/1020159739.db2.gz QGYCPJDMGOXEPA-UHFFFAOYSA-N -1 1 308.407 3.635 20 0 DHADMM C[C@@H](Cn1ccc2ccccc21)C(=O)Nc1c([O-])cccc1F ZINC000671784877 1020167673 /nfs/dbraw/zinc/16/76/73/1020167673.db2.gz BSCHAWMMDJRBJQ-LBPRGKRZSA-N -1 1 312.344 3.761 20 0 DHADMM CC(C)OCCCOC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000733489861 1020403409 /nfs/dbraw/zinc/40/34/09/1020403409.db2.gz MDSLYRVZNONADZ-UHFFFAOYSA-N -1 1 307.173 3.671 20 0 DHADMM CCO[C@H](C(=O)Nc1cc(Cl)c([O-])c2ccccc12)C1CC1 ZINC000628233853 1020429319 /nfs/dbraw/zinc/42/93/19/1020429319.db2.gz YJLSYHYUOXICTB-INIZCTEOSA-N -1 1 319.788 3.952 20 0 DHADMM CC(C)[C@@H](CNc1cc(Cl)[n-]c(=O)n1)Cc1ccccc1 ZINC000858508865 1032926936 /nfs/dbraw/zinc/92/69/36/1032926936.db2.gz IIWMEHQCYQZWCC-CYBMUJFWSA-N -1 1 305.809 3.762 20 0 DHADMM C[C@@H]1CCCN(C(=O)c2cnc(C3CC3)[n-]c2=O)c2ccccc21 ZINC000828198484 1020821501 /nfs/dbraw/zinc/82/15/01/1020821501.db2.gz WCBHWUQYEJYAIB-GFCCVEGCSA-N -1 1 323.396 3.604 20 0 DHADMM COc1c(C)ccc([N-]S(=O)(=O)c2cccc(F)c2C)c1C ZINC000174673932 1020993242 /nfs/dbraw/zinc/99/32/42/1020993242.db2.gz RCLFKGOFPNXVNG-UHFFFAOYSA-N -1 1 323.389 3.560 20 0 DHADMM O=c1nc(NC[C@@H]2CCC[C@@H]2c2ccccc2)cc(Cl)[n-]1 ZINC000858558256 1032944093 /nfs/dbraw/zinc/94/40/93/1032944093.db2.gz LVJCPAAXFXFKSS-QWHCGFSZSA-N -1 1 303.793 3.831 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CCS[C@H]2CCCC[C@H]21 ZINC000175500322 1021050536 /nfs/dbraw/zinc/05/05/36/1021050536.db2.gz QNBHLJLVJMAOLB-OCCSQVGLSA-N -1 1 311.834 3.546 20 0 DHADMM Cc1cccc(NC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001202316410 1021212952 /nfs/dbraw/zinc/21/29/52/1021212952.db2.gz BCVYOKKZLUEEFT-UHFFFAOYSA-N -1 1 308.341 3.530 20 0 DHADMM CC[C@H](C)[C@@H]([N-]C(=O)C(F)(F)c1ncccc1C)C(F)(F)F ZINC000278806450 1021252349 /nfs/dbraw/zinc/25/23/49/1021252349.db2.gz OANUMHCLVCZECW-GZMMTYOYSA-N -1 1 324.293 3.575 20 0 DHADMM C[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000605593444 1021274588 /nfs/dbraw/zinc/27/45/88/1021274588.db2.gz QIZKOJUJBCRIFL-VIFPVBQESA-N -1 1 323.380 3.597 20 0 DHADMM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000107582073 1021333691 /nfs/dbraw/zinc/33/36/91/1021333691.db2.gz SYEUZUDFWASSGQ-RCCFBDPRSA-N -1 1 311.381 3.518 20 0 DHADMM C[C@H](CNC(=O)c1c([O-])cccc1Cl)Sc1ccccc1 ZINC000743730704 1021358312 /nfs/dbraw/zinc/35/83/12/1021358312.db2.gz CNFHATUSWOJEOJ-LLVKDONJSA-N -1 1 321.829 3.956 20 0 DHADMM O=C(Nc1ccc2n[nH]cc2c1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000670413365 1021372272 /nfs/dbraw/zinc/37/22/72/1021372272.db2.gz WOTFUTZMNNYFKD-UHFFFAOYSA-N -1 1 321.258 3.540 20 0 DHADMM O=C([N-]O[C@@H]1CCCCO1)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000108792249 1021376396 /nfs/dbraw/zinc/37/63/96/1021376396.db2.gz IENGPJWCKHVZJP-FGTMMUONSA-N -1 1 311.381 3.518 20 0 DHADMM CC1(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)CCCCC1 ZINC000670414938 1021380637 /nfs/dbraw/zinc/38/06/37/1021380637.db2.gz HNGUKHTYTSACNZ-UHFFFAOYSA-N -1 1 301.308 3.864 20 0 DHADMM CCc1c(C(=O)Nc2ccc([O-])c(Cl)c2)[nH]c(C)c1C(C)=O ZINC000129595135 1021518657 /nfs/dbraw/zinc/51/86/57/1021518657.db2.gz HPCAPUGDZNEBPO-UHFFFAOYSA-N -1 1 320.776 3.699 20 0 DHADMM Cc1nc(SCCSC(F)(F)F)[n-]c(=O)c1C1CC1 ZINC000918462104 1021524981 /nfs/dbraw/zinc/52/49/81/1021524981.db2.gz AFXOECDEDMMGSW-UHFFFAOYSA-N -1 1 310.366 3.713 20 0 DHADMM O=C(c1ccc([O-])c(F)c1)N(Cc1ccccc1F)CC1CC1 ZINC000618967253 1021597147 /nfs/dbraw/zinc/59/71/47/1021597147.db2.gz OUNWZHAGIORVEQ-UHFFFAOYSA-N -1 1 317.335 3.723 20 0 DHADMM Cc1oc(C)c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1C ZINC000613668189 1021671810 /nfs/dbraw/zinc/67/18/10/1021671810.db2.gz YOQXAYOIHRLTFN-UHFFFAOYSA-N -1 1 311.341 3.553 20 0 DHADMM O=C1CN(Cc2cc(F)c([O-])c(F)c2)Cc2ccc(Cl)cc21 ZINC001140994319 1021697272 /nfs/dbraw/zinc/69/72/72/1021697272.db2.gz PUOCKEDHVQXJER-UHFFFAOYSA-N -1 1 323.726 3.522 20 0 DHADMM CCSCC[C@@H](C)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000619582501 1021796765 /nfs/dbraw/zinc/79/67/65/1021796765.db2.gz SJALWWOMDYMOMO-SECBINFHSA-N -1 1 321.364 3.673 20 0 DHADMM COc1cccc([C@@H](C)CC(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC001625893777 1021989584 /nfs/dbraw/zinc/98/95/84/1021989584.db2.gz MTOACHVLANDKFC-JTQLQIEISA-N -1 1 321.323 3.811 20 0 DHADMM CCOc1ccccc1[C@H](CC(C)C)[N-]C(=O)C(F)(F)F ZINC000746361589 1022045062 /nfs/dbraw/zinc/04/50/62/1022045062.db2.gz RQPDYUFYLOWGRQ-LBPRGKRZSA-N -1 1 303.324 3.851 20 0 DHADMM Cn1cc(-c2nc3ccc(Oc4ccccc4)cc3c(=O)[n-]2)cn1 ZINC000620127130 1022045227 /nfs/dbraw/zinc/04/52/27/1022045227.db2.gz UMXSZKZLWKZCEE-UHFFFAOYSA-N -1 1 318.336 3.528 20 0 DHADMM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000263336246 1022050509 /nfs/dbraw/zinc/05/05/09/1022050509.db2.gz MNNIOVXQOKGHDR-GXSJLCMTSA-N -1 1 302.201 3.536 20 0 DHADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(Cl)c(Cl)c1 ZINC000263482994 1022062252 /nfs/dbraw/zinc/06/22/52/1022062252.db2.gz GRQXGSXNFJRFRO-GXSJLCMTSA-N -1 1 302.201 3.679 20 0 DHADMM O=C(NC[C@@H]1CCCc2ccccc21)c1c([O-])cccc1Cl ZINC000920441473 1022121587 /nfs/dbraw/zinc/12/15/87/1022121587.db2.gz ILTLAGMFCLUIEF-ZDUSSCGKSA-N -1 1 315.800 3.896 20 0 DHADMM C[C@H]1C[C@H]1c1ccc(CNC(=O)c2c([O-])cccc2Cl)o1 ZINC000920455973 1022124046 /nfs/dbraw/zinc/12/40/46/1022124046.db2.gz JWTPUUUAGNLUQX-GXSJLCMTSA-N -1 1 305.761 3.692 20 0 DHADMM O=C(NCCSCc1ccccc1)c1c([O-])cccc1Cl ZINC000920430669 1022125065 /nfs/dbraw/zinc/12/50/65/1022125065.db2.gz BWJFKPWALOAADX-UHFFFAOYSA-N -1 1 321.829 3.709 20 0 DHADMM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000620429523 1022149960 /nfs/dbraw/zinc/14/99/60/1022149960.db2.gz QDRFCVBDYKNIDI-CLYYMRHHSA-N -1 1 313.319 3.814 20 0 DHADMM COc1ccc2cc(NC(=O)c3ccc([O-])c(F)c3)ccc2c1 ZINC000804308015 1022252394 /nfs/dbraw/zinc/25/23/94/1022252394.db2.gz MZSPJZAKDXEYEB-UHFFFAOYSA-N -1 1 311.312 3.945 20 0 DHADMM CCCOc1cccc([N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000042007111 1022272614 /nfs/dbraw/zinc/27/26/14/1022272614.db2.gz STLVHLQVUVMDGS-UHFFFAOYSA-N -1 1 305.399 3.585 20 0 DHADMM CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc([O-])cc1F ZINC000154795150 1022333010 /nfs/dbraw/zinc/33/30/10/1022333010.db2.gz LCUPPMHMUUUHKZ-CQSZACIVSA-N -1 1 305.374 3.742 20 0 DHADMM CCN(C(=O)c1ccc([O-])cc1F)[C@H](C)c1cccc(OC)c1 ZINC000154796072 1022333391 /nfs/dbraw/zinc/33/33/91/1022333391.db2.gz CZFDFOKRSSTADP-GFCCVEGCSA-N -1 1 317.360 3.763 20 0 DHADMM O=C(C[C@@H]1CCC(F)(F)C1)Nc1cc(F)c([O-])cc1Cl ZINC000885678444 1022461571 /nfs/dbraw/zinc/46/15/71/1022461571.db2.gz PLHBOOAKBITVSG-ZETCQYMHSA-N -1 1 307.699 3.949 20 0 DHADMM CC(=O)CC(C)(C)CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678885 1022465483 /nfs/dbraw/zinc/46/54/83/1022465483.db2.gz XGIDJBBLWHWPFZ-UHFFFAOYSA-N -1 1 301.745 3.519 20 0 DHADMM O=C(C[C@@H]1CCC2(CCC2)O1)Nc1cc(F)c([O-])cc1Cl ZINC000885680521 1022480707 /nfs/dbraw/zinc/48/07/07/1022480707.db2.gz SYAIACLRKLKKTR-VIFPVBQESA-N -1 1 313.756 3.615 20 0 DHADMM CC(C)(C(=O)Nc1cc(F)c([O-])cc1Cl)[C@H]1CCCCO1 ZINC000885680575 1022480806 /nfs/dbraw/zinc/48/08/06/1022480806.db2.gz UVKBYBCYMWEZOC-CYBMUJFWSA-N -1 1 315.772 3.719 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1CC2CC1(c1ccccc1)C2 ZINC000621013872 1022508772 /nfs/dbraw/zinc/50/87/72/1022508772.db2.gz CZFPNCCYGWTEQI-UHFFFAOYSA-N -1 1 313.784 3.807 20 0 DHADMM CN(C[C@@H]1CC1(C)C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000621050102 1022535595 /nfs/dbraw/zinc/53/55/95/1022535595.db2.gz QDIGWVRJNSDWMD-JTQLQIEISA-N -1 1 301.308 3.529 20 0 DHADMM CCC/C=C/C(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1 ZINC000068435513 1022634152 /nfs/dbraw/zinc/63/41/52/1022634152.db2.gz FUQGEAZEDHXGPI-VOTSOKGWSA-N -1 1 322.478 3.584 20 0 DHADMM O=S(=O)([N-]c1cc(Cl)ccc1F)c1cccc(F)c1F ZINC000158561146 1022641673 /nfs/dbraw/zinc/64/16/73/1022641673.db2.gz SQZDZICXZVQDMO-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM CC(C)N(C(=O)c1ncc2ccccc2c1[O-])C1CC(C)(C)C1 ZINC000616155031 1022649744 /nfs/dbraw/zinc/64/97/44/1022649744.db2.gz PFOQZLDHVGKIIL-UHFFFAOYSA-N -1 1 312.413 3.980 20 0 DHADMM O=C(Nc1ccc2c(c1)[C@H](O)CCCC2)c1ccc([O-])c(F)c1 ZINC000855549863 1022650885 /nfs/dbraw/zinc/65/08/85/1022650885.db2.gz GPGPSBDDLJLRRB-MRXNPFEDSA-N -1 1 315.344 3.543 20 0 DHADMM Oc1cccnc1C[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000584806575 1022762456 /nfs/dbraw/zinc/76/24/56/1022762456.db2.gz NJCJZDLPCUETQG-HNNXBMFYSA-N -1 1 309.369 3.656 20 0 DHADMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1nc2ccccc2s1 ZINC000768149387 1022895818 /nfs/dbraw/zinc/89/58/18/1022895818.db2.gz XFXRBRCPWLIUMC-SECBINFHSA-N -1 1 316.357 3.632 20 0 DHADMM CCC(CC)n1ccc(CSc2nc(C)c(C)c(=O)[n-]2)n1 ZINC000538516404 1033090435 /nfs/dbraw/zinc/09/04/35/1033090435.db2.gz ZFDMEEVPGZQCAN-UHFFFAOYSA-N -1 1 306.435 3.649 20 0 DHADMM Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2)cccc1N(C)C ZINC000181154508 1022967327 /nfs/dbraw/zinc/96/73/27/1022967327.db2.gz JXORSKUXHDEERO-UHFFFAOYSA-N -1 1 324.833 3.515 20 0 DHADMM CCOc1ccc(C#N)cc1NCc1cccc(Cl)c1[O-] ZINC000181419465 1023087526 /nfs/dbraw/zinc/08/75/26/1023087526.db2.gz YUCLTSCWWAPRDH-UHFFFAOYSA-N -1 1 302.761 3.928 20 0 DHADMM O=C(NCc1cccc(Cl)c1Cl)c1c([O-])cccc1F ZINC000622298691 1023104666 /nfs/dbraw/zinc/10/46/66/1023104666.db2.gz SBSQESKEBACGFY-UHFFFAOYSA-N -1 1 314.143 3.768 20 0 DHADMM CC(C)(C)c1cc(NC(=O)c2ccc3ccccc3c2[O-])n[nH]1 ZINC000322719590 1023151275 /nfs/dbraw/zinc/15/12/75/1023151275.db2.gz VITQQFCVMOZMHB-UHFFFAOYSA-N -1 1 309.369 3.818 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N(Cc1ccccc1)C1CC1 ZINC000769649465 1023190205 /nfs/dbraw/zinc/19/02/05/1023190205.db2.gz XFZXZSFRWTXTPS-UHFFFAOYSA-N -1 1 301.773 3.850 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N(Cc1cccc(F)c1)C1CC1 ZINC000769672160 1023194180 /nfs/dbraw/zinc/19/41/80/1023194180.db2.gz PVPMZMFBFIZZMU-UHFFFAOYSA-N -1 1 319.763 3.990 20 0 DHADMM C[C@H]1CCCC[C@@H]1CNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001626288722 1023206886 /nfs/dbraw/zinc/20/68/86/1023206886.db2.gz KDGUMWGAXPZFOK-GXTWGEPZSA-N -1 1 313.397 3.807 20 0 DHADMM Cc1cccc([C@@H]2CCCN2C(=O)c2c([O-])cccc2Cl)n1 ZINC000770017611 1023262812 /nfs/dbraw/zinc/26/28/12/1023262812.db2.gz WDVPSKLSEMGAGI-AWEZNQCLSA-N -1 1 316.788 3.726 20 0 DHADMM O=C(c1cncc([O-])c1)N1CCCC[C@@H]1CCCc1ccccc1 ZINC000337670013 1033128692 /nfs/dbraw/zinc/12/86/92/1033128692.db2.gz WYXYSRHLQPDVMK-GOSISDBHSA-N -1 1 324.424 3.805 20 0 DHADMM Cc1ccncc1COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000771353640 1023426656 /nfs/dbraw/zinc/42/66/56/1023426656.db2.gz CTTKGMKPNKQJSE-UHFFFAOYSA-N -1 1 312.152 3.759 20 0 DHADMM COc1cccc(NC(=O)c2ccc(C(C)C)cc2[O-])c1F ZINC000771521554 1023448007 /nfs/dbraw/zinc/44/80/07/1023448007.db2.gz ZOOBLHUGQJNZEO-UHFFFAOYSA-N -1 1 303.333 3.916 20 0 DHADMM CCCCS[C@@H](C)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000785747732 1023613090 /nfs/dbraw/zinc/61/30/90/1023613090.db2.gz CYIRYXKAIKRLTI-ZDUSSCGKSA-N -1 1 324.442 3.602 20 0 DHADMM CCCCS[C@H](C)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000785747731 1023613327 /nfs/dbraw/zinc/61/33/27/1023613327.db2.gz CYIRYXKAIKRLTI-CYBMUJFWSA-N -1 1 324.442 3.602 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC[C@H](C)CC(C)(C)C ZINC000785763066 1023616651 /nfs/dbraw/zinc/61/66/51/1023616651.db2.gz WULALDBEVUDMGO-LBPRGKRZSA-N -1 1 321.465 3.806 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1Cl ZINC000048652852 1023801120 /nfs/dbraw/zinc/80/11/20/1023801120.db2.gz YKCYVXHPQBCHGE-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM O=S(=O)([N-]c1ccc(Cl)c(F)c1)c1ccc(Cl)cc1 ZINC000048655427 1023803026 /nfs/dbraw/zinc/80/30/26/1023803026.db2.gz BMLCQSFLMKIZME-UHFFFAOYSA-N -1 1 320.172 3.933 20 0 DHADMM O=C1CCCc2cc(Nc3cc4ccc([O-])cc4oc3=O)ccc21 ZINC001213103143 1023826929 /nfs/dbraw/zinc/82/69/29/1023826929.db2.gz NICXIDQGPZAARL-UHFFFAOYSA-N -1 1 321.332 3.761 20 0 DHADMM CC[C@](C)([N-]C(=O)C(F)(F)Cc1ccccc1)C(F)(F)F ZINC000796734458 1023855139 /nfs/dbraw/zinc/85/51/39/1023855139.db2.gz STUSORCBXRAPGL-LBPRGKRZSA-N -1 1 309.278 3.712 20 0 DHADMM Cc1cnc(SC[C@H]2CCC[C@@H](c3ccccc3)O2)[n-]c1=O ZINC000882173624 1023983992 /nfs/dbraw/zinc/98/39/92/1023983992.db2.gz LFHXFVPWGACWNK-CABCVRRESA-N -1 1 316.426 3.893 20 0 DHADMM CCc1nc(SCC[C@@H]2CCCC2(F)F)[n-]c(=O)c1C ZINC000882177060 1023986065 /nfs/dbraw/zinc/98/60/65/1023986065.db2.gz HLCBUVAMVALPKI-JTQLQIEISA-N -1 1 302.390 3.971 20 0 DHADMM Cn1c(Cl)c(Cl)cc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129534960 1024009312 /nfs/dbraw/zinc/00/93/12/1024009312.db2.gz YEZUAMVLGKNSOW-UHFFFAOYSA-N -1 1 319.575 3.943 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1c(Cl)nc2ccccn21 ZINC000129536804 1024009446 /nfs/dbraw/zinc/00/94/46/1024009446.db2.gz IELYEMNIFCGBPE-UHFFFAOYSA-N -1 1 322.151 3.599 20 0 DHADMM CCCC1(CNC(=O)c2cc(Cl)c([O-])c(OCC)c2)CC1 ZINC000186864810 1024154388 /nfs/dbraw/zinc/15/43/88/1024154388.db2.gz LBJGYZMAHXHSEA-UHFFFAOYSA-N -1 1 311.809 3.754 20 0 DHADMM COc1cccc([C@@H](C)CCCC(=O)[N-]OCC(F)(F)F)c1 ZINC000789989398 1024200841 /nfs/dbraw/zinc/20/08/41/1024200841.db2.gz BPMILUNWFFKEMH-NSHDSACASA-N -1 1 319.323 3.579 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000790052445 1024213653 /nfs/dbraw/zinc/21/36/53/1024213653.db2.gz VTMOJEOZPXNORV-JGVFFNPUSA-N -1 1 322.714 3.748 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000531756391 1024300008 /nfs/dbraw/zinc/30/00/08/1024300008.db2.gz ZXVIJEIEWFUVMB-OLZOCXBDSA-N -1 1 305.736 3.927 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000531756392 1024300683 /nfs/dbraw/zinc/30/06/83/1024300683.db2.gz ZXVIJEIEWFUVMB-QWHCGFSZSA-N -1 1 305.736 3.927 20 0 DHADMM CSc1cccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c1 ZINC000337865151 1033208566 /nfs/dbraw/zinc/20/85/66/1033208566.db2.gz NWPJPMVJDYEPAQ-UHFFFAOYSA-N -1 1 318.423 3.691 20 0 DHADMM Cc1cc2[nH]ncc2cc1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000791053021 1024434144 /nfs/dbraw/zinc/43/41/44/1024434144.db2.gz BCZSMSJUMXUHFP-UHFFFAOYSA-N -1 1 324.365 3.554 20 0 DHADMM CCSCCSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000132807676 1024508406 /nfs/dbraw/zinc/50/84/06/1024508406.db2.gz QTZMYMMNVODVGM-UHFFFAOYSA-N -1 1 306.456 3.591 20 0 DHADMM CCc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000339123994 1024571427 /nfs/dbraw/zinc/57/14/27/1024571427.db2.gz QTEGPVGZYRBGQE-UHFFFAOYSA-N -1 1 307.353 3.597 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(OCC2CC2)cc1 ZINC000532267212 1024591757 /nfs/dbraw/zinc/59/17/57/1024591757.db2.gz RQDHRJIOOFXFBK-UHFFFAOYSA-N -1 1 301.317 3.572 20 0 DHADMM CCN(CC)c1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000532266692 1024592236 /nfs/dbraw/zinc/59/22/36/1024592236.db2.gz SKQUTRXKWYKGLL-UHFFFAOYSA-N -1 1 302.349 3.630 20 0 DHADMM CN(C[C@H]1CC=CCC1)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897371520 1024602084 /nfs/dbraw/zinc/60/20/84/1024602084.db2.gz XKGUSHKRSVCHBH-ZDUSSCGKSA-N -1 1 311.381 3.679 20 0 DHADMM CCOc1cc(-c2noc([C@H]3CC34CC4)n2)cc(Cl)c1[O-] ZINC000643278949 1024612671 /nfs/dbraw/zinc/61/26/71/1024612671.db2.gz YNZATWVDECFHJY-SECBINFHSA-N -1 1 306.749 3.762 20 0 DHADMM O=C(Nc1cccc2ccc(O)cc21)c1c(F)ccc([O-])c1F ZINC000349111520 1024677082 /nfs/dbraw/zinc/67/70/82/1024677082.db2.gz SWTHYNLJLUVJBB-UHFFFAOYSA-N -1 1 315.275 3.782 20 0 DHADMM O=C(Nc1cc(F)c([O-])c(F)c1)Nc1cc(F)ccc1F ZINC001202657756 1024780218 /nfs/dbraw/zinc/78/02/18/1024780218.db2.gz CMTIMORXJBALAG-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM CCOc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1OCC ZINC000322752469 1024799937 /nfs/dbraw/zinc/79/99/37/1024799937.db2.gz XMYOVTDWOZCDJR-UHFFFAOYSA-N -1 1 319.332 3.581 20 0 DHADMM Cc1cccc(NC(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)c1C ZINC001202695480 1024881935 /nfs/dbraw/zinc/88/19/35/1024881935.db2.gz UCOHWEJMIBQGQP-UHFFFAOYSA-N -1 1 322.368 3.839 20 0 DHADMM O=C(c1ccc(Br)cc1[O-])N1CC[C@@H]2CCCC[C@@H]21 ZINC000134278637 1025048623 /nfs/dbraw/zinc/04/86/23/1025048623.db2.gz JICGFQMBTWDGKT-GWCFXTLKSA-N -1 1 324.218 3.559 20 0 DHADMM COc1ccc(-c2cc3[n-]c(-c4ccc[nH]4)nc(=O)c3s2)cc1 ZINC000134473236 1025115847 /nfs/dbraw/zinc/11/58/47/1025115847.db2.gz GXEFCZWURRNUQU-UHFFFAOYSA-N -1 1 323.377 3.655 20 0 DHADMM O=C(CCc1ccc(Cl)cc1Cl)[N-]OCC(F)(F)F ZINC000135201756 1025195803 /nfs/dbraw/zinc/19/58/03/1025195803.db2.gz RYHJBDCNAKFJPF-UHFFFAOYSA-N -1 1 316.106 3.536 20 0 DHADMM CSCCO[N-]C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000794190451 1025235076 /nfs/dbraw/zinc/23/50/76/1025235076.db2.gz WVFWDGXVDZXCSO-QMMMGPOBSA-N -1 1 308.230 3.508 20 0 DHADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccccc3C)cc2s1 ZINC000112333746 1025241836 /nfs/dbraw/zinc/24/18/36/1025241836.db2.gz WSPMGOYWHJINGF-UHFFFAOYSA-N -1 1 318.423 3.714 20 0 DHADMM CC(C)(C)c1ccc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)s1 ZINC000672428990 1025335470 /nfs/dbraw/zinc/33/54/70/1025335470.db2.gz AQYLGKPHDBLIJY-SECBINFHSA-N -1 1 323.430 3.512 20 0 DHADMM CO[C@H](C(=O)Nc1cc(F)c([O-])cc1Cl)C1CCCCC1 ZINC000885680789 1025381490 /nfs/dbraw/zinc/38/14/90/1025381490.db2.gz ZHIIRPSISCGRGR-AWEZNQCLSA-N -1 1 315.772 3.719 20 0 DHADMM CSc1cc(F)ccc1[N-]C(=O)c1scnc1Cl ZINC001130091013 1025541870 /nfs/dbraw/zinc/54/18/70/1025541870.db2.gz XRLOGSPNFRIVLN-UHFFFAOYSA-N -1 1 302.783 3.910 20 0 DHADMM Cc1ccnc(C)c1[N-]S(=O)(=O)c1c(C)cc(Cl)cc1C ZINC000886404714 1025613719 /nfs/dbraw/zinc/61/37/19/1025613719.db2.gz CVWGHZGHNRFQAW-UHFFFAOYSA-N -1 1 324.833 3.769 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1cccc([C@@H]2CCCOC2)c1 ZINC000536590786 1025637170 /nfs/dbraw/zinc/63/71/70/1025637170.db2.gz CJJVIZGFELQTSK-CQSZACIVSA-N -1 1 315.344 3.678 20 0 DHADMM O=C(N[C@@H]1CCSc2ccccc21)c1c(F)ccc([O-])c1F ZINC000355905392 1025881299 /nfs/dbraw/zinc/88/12/99/1025881299.db2.gz LJEAJGDHKUTAFV-LLVKDONJSA-N -1 1 321.348 3.637 20 0 DHADMM Cc1cc2cc(NC(=O)c3c(C)nc(C(C)C)[n-]c3=O)ccc2[nH]1 ZINC000747358748 1025985586 /nfs/dbraw/zinc/98/55/86/1025985586.db2.gz CZVPBFVTBSUGIJ-UHFFFAOYSA-N -1 1 324.384 3.656 20 0 DHADMM CN1C(=O)CCc2cc(NCc3cccc([O-])c3Cl)ccc21 ZINC000645166744 1026041696 /nfs/dbraw/zinc/04/16/96/1026041696.db2.gz PWCJKNNBYCZCLX-UHFFFAOYSA-N -1 1 316.788 3.567 20 0 DHADMM O=C([N-][C@H]1CCCC1(F)F)C(F)(F)c1cccc(Cl)c1 ZINC000807853812 1026127107 /nfs/dbraw/zinc/12/71/07/1026127107.db2.gz RWYJGFPSZIPKOF-JTQLQIEISA-N -1 1 309.690 3.736 20 0 DHADMM C[C@H]([N-]C(=O)C(C)(F)F)c1cc(F)c(Cl)cc1Cl ZINC000808453390 1026291503 /nfs/dbraw/zinc/29/15/03/1026291503.db2.gz DSHLNTDXFDJQMS-YFKPBYRVSA-N -1 1 300.107 3.965 20 0 DHADMM CCC[C@H](NCc1ccc(-c2ccc(F)cc2C)o1)C(=O)[O-] ZINC000262690118 1026515118 /nfs/dbraw/zinc/51/51/18/1026515118.db2.gz FTMOOFSBTWURBS-HNNXBMFYSA-N -1 1 305.349 3.737 20 0 DHADMM CCOC(=O)c1cnc(C(C)=Cc2cccc(C3CC3)c2)[n-]c1=O ZINC000421124837 1026936311 /nfs/dbraw/zinc/93/63/11/1026936311.db2.gz GJVLROOQOBGLGP-FMIVXFBMSA-N -1 1 324.380 3.797 20 0 DHADMM O=C(Nc1ccc(Oc2cccnc2)cc1)c1ccc([O-])c(F)c1 ZINC000811546301 1027031072 /nfs/dbraw/zinc/03/10/72/1027031072.db2.gz YNRPWAZTEXRJQO-UHFFFAOYSA-N -1 1 324.311 3.971 20 0 DHADMM C[C@H](N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-])C1(C)CC1 ZINC000271961202 1027187822 /nfs/dbraw/zinc/18/78/22/1027187822.db2.gz FWZAQXGCSGVJNC-VIFPVBQESA-N -1 1 301.308 3.672 20 0 DHADMM COc1ccc2cc([C@H](C)C(=O)[N-]OC/C=C/Cl)ccc2c1 ZINC000812403423 1027262083 /nfs/dbraw/zinc/26/20/83/1027262083.db2.gz RLPVJDGBZQGQDJ-DGDCUBRUSA-N -1 1 319.788 3.752 20 0 DHADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccnc(Cl)c1 ZINC000778093587 1027512859 /nfs/dbraw/zinc/51/28/59/1027512859.db2.gz GTTQVHGSCXDBBA-UHFFFAOYSA-N -1 1 324.833 3.833 20 0 DHADMM C[C@H]1CCCCN1Cc1cc(Br)ccc1C(=O)[O-] ZINC000576285480 1027595225 /nfs/dbraw/zinc/59/52/25/1027595225.db2.gz JQKQAKWJIHCWCI-JTQLQIEISA-N -1 1 312.207 3.522 20 0 DHADMM C[C@H]1C[C@H](c2ccccc2F)N(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000576405179 1027613506 /nfs/dbraw/zinc/61/35/06/1027613506.db2.gz FYWMPMGDPKGUQG-YVEFUNNKSA-N -1 1 314.360 3.502 20 0 DHADMM CCSc1nnc([N-]C(=O)c2coc(C3CCCC3)n2)s1 ZINC000577077894 1027704076 /nfs/dbraw/zinc/70/40/76/1027704076.db2.gz KOTHXHAZLVVRFV-UHFFFAOYSA-N -1 1 324.431 3.548 20 0 DHADMM CCCCN(Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)C1CC1 ZINC000577226113 1027730001 /nfs/dbraw/zinc/73/00/01/1027730001.db2.gz BSHKWBCSENPNKD-UHFFFAOYSA-N -1 1 314.385 3.804 20 0 DHADMM CCc1nc(SCCOc2ccc(Cl)cc2)[n-]c(=O)c1C ZINC000577231144 1027731164 /nfs/dbraw/zinc/73/11/64/1027731164.db2.gz DHFWODOPFFBYDI-UHFFFAOYSA-N -1 1 324.833 3.878 20 0 DHADMM O=C(Nc1ccnn1C1CCC1)Nc1ccc([O-])c(Cl)c1 ZINC000934717675 1028090406 /nfs/dbraw/zinc/09/04/06/1028090406.db2.gz KDBPBPUPUAYABQ-UHFFFAOYSA-N -1 1 306.753 3.611 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)c1cc(C2CCCCC2)[nH]n1 ZINC000578720198 1028225717 /nfs/dbraw/zinc/22/57/17/1028225717.db2.gz SPQAHWKDKHVDIB-UHFFFAOYSA-N -1 1 321.327 3.694 20 0 DHADMM C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000117991804 1028229536 /nfs/dbraw/zinc/22/95/36/1028229536.db2.gz JZHBMIPBAHIWKK-RFAUZJTJSA-N -1 1 303.745 3.549 20 0 DHADMM COC(=O)N(C)c1ccc(NCc2cccc([O-])c2Cl)cc1 ZINC000815119757 1028365087 /nfs/dbraw/zinc/36/50/87/1028365087.db2.gz GRPZEXIHMDQQRL-UHFFFAOYSA-N -1 1 320.776 3.860 20 0 DHADMM COCCOc1ccc(NCc2cccc([O-])c2Cl)c(C)c1 ZINC000815125938 1028368651 /nfs/dbraw/zinc/36/86/51/1028368651.db2.gz DHJKCKXDWLDUHP-UHFFFAOYSA-N -1 1 321.804 3.991 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)C[C@@H](C)C2CC2)c1 ZINC000778447667 1028507642 /nfs/dbraw/zinc/50/76/42/1028507642.db2.gz CACAQMNDHKUNKV-SECBINFHSA-N -1 1 312.207 3.838 20 0 DHADMM CC(C)CN(CCC(=O)[O-])Cc1csc(C2CCCC2)n1 ZINC000565104555 1028538601 /nfs/dbraw/zinc/53/86/01/1028538601.db2.gz DOHBFSWINOKODM-UHFFFAOYSA-N -1 1 310.463 3.733 20 0 DHADMM CC(C)c1ccc(CCNC(=O)c2ccc([O-])cc2F)cc1 ZINC001135473065 1028794006 /nfs/dbraw/zinc/79/40/06/1028794006.db2.gz UEBXISHOWHFQNL-UHFFFAOYSA-N -1 1 301.361 3.627 20 0 DHADMM O=S(=O)([N-]c1cccc(F)c1Cl)c1cccc(F)c1F ZINC000567079680 1028831420 /nfs/dbraw/zinc/83/14/20/1028831420.db2.gz VKBWLIQUXGCOEJ-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC(c2ncco2)CC1 ZINC000627951345 1028840449 /nfs/dbraw/zinc/84/04/49/1028840449.db2.gz XICJRJCRMBSFSY-UHFFFAOYSA-N -1 1 322.364 3.553 20 0 DHADMM CC(C)O[C@H](C(=O)Nc1nc(Cl)ccc1[O-])c1ccccc1 ZINC000816426929 1028863861 /nfs/dbraw/zinc/86/38/61/1028863861.db2.gz CDCZDBZVMNVYAW-AWEZNQCLSA-N -1 1 320.776 3.545 20 0 DHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)[C@@H]1CCSC1 ZINC000628233163 1028952312 /nfs/dbraw/zinc/95/23/12/1028952312.db2.gz KWIWMJFCQCBZMB-SECBINFHSA-N -1 1 307.802 3.890 20 0 DHADMM Cc1nc(S[C@@H](C(=O)C2CC2)c2ccccc2)[n-]c(=O)c1C ZINC000567843587 1028964809 /nfs/dbraw/zinc/96/48/09/1028964809.db2.gz CBSBSABNVHXZMZ-OAHLLOKOSA-N -1 1 314.410 3.612 20 0 DHADMM Cc1cccc2sc(NC(=O)c3ccc([O-])cc3F)nc21 ZINC001135684412 1029000273 /nfs/dbraw/zinc/00/02/73/1029000273.db2.gz XZJWTWVQVAYSBR-UHFFFAOYSA-N -1 1 302.330 3.702 20 0 DHADMM Cc1ccc2nc(NC(=O)c3ccc4[n-]c(=S)oc4c3)[nH]c2c1 ZINC000817018109 1029054639 /nfs/dbraw/zinc/05/46/39/1029054639.db2.gz PBYYWGMXGUTIQX-UHFFFAOYSA-N -1 1 324.365 3.554 20 0 DHADMM [O-]c1ccc(-c2noc([C@H]3CC34CCSCC4)n2)c(F)c1 ZINC000568475880 1029077053 /nfs/dbraw/zinc/07/70/53/1029077053.db2.gz PNGZPZZXYZYCHF-LLVKDONJSA-N -1 1 306.362 3.582 20 0 DHADMM O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1c([O-])cccc1Cl ZINC000817222337 1029089585 /nfs/dbraw/zinc/08/95/85/1029089585.db2.gz FHSPQASUXWFEEJ-AULYBMBSSA-N -1 1 319.763 3.861 20 0 DHADMM COc1cc(-c2nc(-c3ccccc3F)no2)cc(Cl)c1[O-] ZINC000443208826 1029157985 /nfs/dbraw/zinc/15/79/85/1029157985.db2.gz QDOKYRZSKLSDHN-UHFFFAOYSA-N -1 1 320.707 3.910 20 0 DHADMM N#CC(=C([O-])c1cccc2cc[nH]c21)c1cnc2ccccc2n1 ZINC000190949244 1029224852 /nfs/dbraw/zinc/22/48/52/1029224852.db2.gz HUWMNSWUMGTOSI-AWEZNQCLSA-N -1 1 312.332 3.601 20 0 DHADMM C[C@H]1Cc2ccccc2N1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001135997755 1029248103 /nfs/dbraw/zinc/24/81/03/1029248103.db2.gz VSVFVNIKIJIJAD-NSHDSACASA-N -1 1 301.773 3.566 20 0 DHADMM CC1(C)CC(CSc2nc([O-])cc(=O)n2C2CCCC2)C1 ZINC000629121923 1029248800 /nfs/dbraw/zinc/24/88/00/1029248800.db2.gz AEDXFEBJDLBRNF-UHFFFAOYSA-N -1 1 308.447 3.592 20 0 DHADMM CCCC[C@H](C)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000374358022 1029309411 /nfs/dbraw/zinc/30/94/11/1029309411.db2.gz AAPCCYFZSMSDQZ-AWEZNQCLSA-N -1 1 317.429 3.640 20 0 DHADMM C[C@@H](CC(C)(C)C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629380044 1029320895 /nfs/dbraw/zinc/32/08/95/1029320895.db2.gz WPSAMTYCPUPRJH-LBPRGKRZSA-N -1 1 301.390 3.589 20 0 DHADMM CC(C)[C@@](C)(O)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529539341 1029376085 /nfs/dbraw/zinc/37/60/85/1029376085.db2.gz QTIMSQRFIPLKLM-MRXNPFEDSA-N -1 1 307.777 3.544 20 0 DHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)[C@H]1C[C@@]12CCOC2 ZINC000529539085 1029378224 /nfs/dbraw/zinc/37/82/24/1029378224.db2.gz PKBCJYLXLHRPMF-SJKOYZFVSA-N -1 1 317.772 3.564 20 0 DHADMM CCC[C@@H](OC)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529540459 1029380113 /nfs/dbraw/zinc/38/01/13/1029380113.db2.gz ZKPMEKUAPBRABP-CQSZACIVSA-N -1 1 307.777 3.952 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CCSC2(CCC2)CC1 ZINC000412452669 1029445758 /nfs/dbraw/zinc/44/57/58/1029445758.db2.gz MJWGJOALNRSCSH-UHFFFAOYSA-N -1 1 311.834 3.547 20 0 DHADMM CC[C@H](CCc1ccccc1)NC(=O)c1ccc([O-])c(F)c1 ZINC000529800047 1029578194 /nfs/dbraw/zinc/57/81/94/1029578194.db2.gz NKEVJCPCMZEYHR-OAHLLOKOSA-N -1 1 301.361 3.673 20 0 DHADMM O=C(N[C@@H](c1ccccc1)C1CCCCC1)c1ncccc1[O-] ZINC001136235966 1029584404 /nfs/dbraw/zinc/58/44/04/1029584404.db2.gz HJAKDRADKYHSMD-KRWDZBQOSA-N -1 1 310.397 3.839 20 0 DHADMM C[C@H]1C[C@@H](CC(=O)Nc2n[n-]c(C(F)(F)F)n2)CC(C)(C)C1 ZINC000303133977 1029594068 /nfs/dbraw/zinc/59/40/68/1029594068.db2.gz CLCVKLSTHXEHGV-IUCAKERBSA-N -1 1 318.343 3.615 20 0 DHADMM Cc1cc(C(=O)CCC(=O)Nc2cccc(F)c2[O-])c(C)s1 ZINC000530007270 1029699827 /nfs/dbraw/zinc/69/98/27/1029699827.db2.gz SZIMUWVVWRQWMC-UHFFFAOYSA-N -1 1 321.373 3.811 20 0 DHADMM O=C(CO[C@H]1CCCc2ccccc21)Nc1cccc(F)c1[O-] ZINC000530005862 1029711106 /nfs/dbraw/zinc/71/11/06/1029711106.db2.gz NAEWVKBNBFAGNJ-INIZCTEOSA-N -1 1 315.344 3.564 20 0 DHADMM Cc1nc(-c2ccc(N[C@H](C)C3CCCC3)nc2)[n-]c(=O)c1C ZINC000450898760 1029727523 /nfs/dbraw/zinc/72/75/23/1029727523.db2.gz CICCTRZFSJVFCT-CYBMUJFWSA-N -1 1 312.417 3.852 20 0 DHADMM CC[C@@H](C)CO[N-]C(=O)[C@H](C)c1ccc(Br)cc1 ZINC000794851974 1029957659 /nfs/dbraw/zinc/95/76/59/1029957659.db2.gz NFXNAJODOBTLIN-GHMZBOCLSA-N -1 1 314.223 3.647 20 0 DHADMM CCc1noc(C)c1[N-]C(=O)c1cc(F)c(Cl)nc1Cl ZINC000121009639 1030233947 /nfs/dbraw/zinc/23/39/47/1030233947.db2.gz PDQONPPXIDXVEL-UHFFFAOYSA-N -1 1 318.135 3.639 20 0 DHADMM CCOc1cc(C(=O)NC2CCC=CCC2)cc(Cl)c1[O-] ZINC000925395707 1030356142 /nfs/dbraw/zinc/35/61/42/1030356142.db2.gz FQUJHEWPKOEGFR-UHFFFAOYSA-N -1 1 309.793 3.673 20 0 DHADMM C[C@@H]1C[C@@H]1[C@H](NC(=O)c1ccc([O-])cn1)c1ccc(Cl)cc1 ZINC001136781055 1030396466 /nfs/dbraw/zinc/39/64/66/1030396466.db2.gz FQPGOCGJJLAARK-FUEDEBDSSA-N -1 1 316.788 3.568 20 0 DHADMM O=C(CCc1ccc(F)c2ccccc12)[N-]OCC(F)(F)F ZINC000866733379 1030431179 /nfs/dbraw/zinc/43/11/79/1030431179.db2.gz NWPQKXNYECCBNK-UHFFFAOYSA-N -1 1 315.266 3.522 20 0 DHADMM CC[S@](C)(=O)=NC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000925848476 1030522191 /nfs/dbraw/zinc/52/21/91/1030522191.db2.gz BEOYJZVCSFRDFQ-NRFANRHFSA-N -1 1 311.447 3.897 20 0 DHADMM O=C(Cc1ccc([O-])c(Cl)c1)OC[C@H]1CCC(F)(F)C1 ZINC000869735324 1030850476 /nfs/dbraw/zinc/85/04/76/1030850476.db2.gz SKKCFGWTPOZBAH-JTQLQIEISA-N -1 1 304.720 3.567 20 0 DHADMM CC[C@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)C1CCC(C)CC1 ZINC000359285397 1030882775 /nfs/dbraw/zinc/88/27/75/1030882775.db2.gz VUCDHENXQSIFKM-RTBKNWGFSA-N -1 1 318.343 3.615 20 0 DHADMM O=c1cc(CN2CCC23CCCC3)c2cc(Cl)c([O-])cc2o1 ZINC000844359015 1031083553 /nfs/dbraw/zinc/08/35/53/1031083553.db2.gz GWZBUWREHRGWRA-UHFFFAOYSA-N -1 1 319.788 3.671 20 0 DHADMM CC[C@@H](C(=O)[N-]OCCCC(F)(F)F)c1ccc(OC)cc1 ZINC000871213926 1031163997 /nfs/dbraw/zinc/16/39/97/1031163997.db2.gz BKVCOTANYHYCEP-CYBMUJFWSA-N -1 1 319.323 3.579 20 0 DHADMM C[C@H](C(=O)[N-]OCCCC(F)(F)F)c1ccc(Cl)cc1 ZINC000871217304 1031164500 /nfs/dbraw/zinc/16/45/00/1031164500.db2.gz SBXYXHMRIHBYHI-VIFPVBQESA-N -1 1 309.715 3.834 20 0 DHADMM CC[C@@H](C(=O)[N-]OCCCC(F)(F)F)c1ccc(F)cc1 ZINC000871215254 1031165117 /nfs/dbraw/zinc/16/51/17/1031165117.db2.gz VNMPMNHARSUEBF-GFCCVEGCSA-N -1 1 307.287 3.710 20 0 DHADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1csc(-c2cccs2)n1 ZINC000263341812 1031185502 /nfs/dbraw/zinc/18/55/02/1031185502.db2.gz NPWLSFLGKSAQBF-QWRGUYRKSA-N -1 1 322.455 3.557 20 0 DHADMM CCCN(CC(=O)[O-])Cc1ccc(-c2ccccc2Cl)o1 ZINC000263442420 1031194827 /nfs/dbraw/zinc/19/48/27/1031194827.db2.gz WYYBSQNKWSXTRX-UHFFFAOYSA-N -1 1 307.777 3.897 20 0 DHADMM Cc1nc(SCc2nc3c(o2)CCCC3)[n-]c(=O)c1C1CC1 ZINC000871679551 1031264910 /nfs/dbraw/zinc/26/49/10/1031264910.db2.gz MTYOHRFTJPUIFP-UHFFFAOYSA-N -1 1 317.414 3.527 20 0 DHADMM Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2Cl)s1 ZINC000360512186 1031453743 /nfs/dbraw/zinc/45/37/43/1031453743.db2.gz PMIGZBPGMLDBAK-UHFFFAOYSA-N -1 1 316.835 3.523 20 0 DHADMM O=C(NC[C@@H]1CCCCC(F)(F)C1)c1c(F)ccc([O-])c1F ZINC000293546211 1031511269 /nfs/dbraw/zinc/51/12/69/1031511269.db2.gz BNFVIPATTCRYFO-SECBINFHSA-N -1 1 319.298 3.616 20 0 DHADMM C[C@@H](c1ccccc1Cl)N1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1 ZINC000872168857 1031547595 /nfs/dbraw/zinc/54/75/95/1031547595.db2.gz AIYUEKIJBMZNSM-LSJOCFKGSA-N -1 1 321.726 3.596 20 0 DHADMM C[C@@H](Cc1ccsc1)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000872847401 1031669360 /nfs/dbraw/zinc/66/93/60/1031669360.db2.gz WYMVGHIDAWPXMT-JTQLQIEISA-N -1 1 324.833 3.538 20 0 DHADMM [O-]c1cc(F)c(CN2CCc3cc(Cl)ccc3C2)c(F)c1 ZINC001144558904 1031710270 /nfs/dbraw/zinc/71/02/70/1031710270.db2.gz FGAWLKGTJWRZAS-UHFFFAOYSA-N -1 1 309.743 3.882 20 0 DHADMM [O-]c1cc(F)c(CN2CCc3c(Cl)cccc3C2)c(F)c1 ZINC001144559950 1031713509 /nfs/dbraw/zinc/71/35/09/1031713509.db2.gz SNFNKTVKERPNDS-UHFFFAOYSA-N -1 1 309.743 3.882 20 0 DHADMM CCN(Cc1cccc(F)c1F)Cc1c(F)cc([O-])cc1F ZINC001144561974 1031714499 /nfs/dbraw/zinc/71/44/99/1031714499.db2.gz SDISDJOHMOTKOH-UHFFFAOYSA-N -1 1 313.294 3.971 20 0 DHADMM CC1(C)CN(C(=O)c2ccc(Cl)cc2[O-])[C@@H]1c1ccncc1 ZINC000294063379 1031782522 /nfs/dbraw/zinc/78/25/22/1031782522.db2.gz WJSDIGUESCOCSG-OAHLLOKOSA-N -1 1 316.788 3.664 20 0 DHADMM CC1(C)CN(Cc2cc(F)c([O-])cc2F)Cc2ccccc21 ZINC001144659667 1031816416 /nfs/dbraw/zinc/81/64/16/1031816416.db2.gz OMWSJKMLYLWSOB-UHFFFAOYSA-N -1 1 303.352 3.964 20 0 DHADMM CCOc1cccc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)c1 ZINC001212689953 1033461978 /nfs/dbraw/zinc/46/19/78/1033461978.db2.gz VGHIZKPQTBWPSK-UHFFFAOYSA-N -1 1 324.262 3.544 20 0 DHADMM CCOc1cccc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)c1 ZINC001212689953 1033461984 /nfs/dbraw/zinc/46/19/84/1033461984.db2.gz VGHIZKPQTBWPSK-UHFFFAOYSA-N -1 1 324.262 3.544 20 0 DHADMM CC1(c2nccc(NC(=O)Nc3ccc([O-])c(Cl)c3)n2)CC1 ZINC000888039699 1033477889 /nfs/dbraw/zinc/47/78/89/1033477889.db2.gz SRZRVWSQZKYLGP-UHFFFAOYSA-N -1 1 318.764 3.531 20 0 DHADMM CC(C)(C)c1nnc([N-]C(=O)c2c(F)cc(F)cc2F)s1 ZINC000151933198 1033493178 /nfs/dbraw/zinc/49/31/78/1033493178.db2.gz SUZIZAMCSJFMQE-UHFFFAOYSA-N -1 1 315.320 3.505 20 0 DHADMM Oc1ccccc1-c1nnc(C[N@H+]2CCC[C@H]2c2ccccc2)o1 ZINC000877898396 1033504220 /nfs/dbraw/zinc/50/42/20/1033504220.db2.gz LANZURVVTXDYPY-INIZCTEOSA-N -1 1 321.380 3.779 20 0 DHADMM Cc1ccc([C@H](C)[N@@H+](C)Cc2nnc(-c3ccccc3O)o2)cc1 ZINC000877969028 1033535242 /nfs/dbraw/zinc/53/52/42/1033535242.db2.gz URCNJJVMYHIFFU-AWEZNQCLSA-N -1 1 323.396 3.944 20 0 DHADMM CC(C)CC1CCN(C(=O)c2ncc3ccccc3c2[O-])CC1 ZINC001137252540 1033643945 /nfs/dbraw/zinc/64/39/45/1033643945.db2.gz VBLIFOXQZDWMFQ-UHFFFAOYSA-N -1 1 312.413 3.839 20 0 DHADMM [O-]c1cnccc1-c1nc(-c2cc3ccoc3c(Cl)c2)no1 ZINC001212722567 1033685410 /nfs/dbraw/zinc/68/54/10/1033685410.db2.gz OFGOPPFUSWMYJI-UHFFFAOYSA-N -1 1 313.700 3.904 20 0 DHADMM CC(=O)CCCCCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000862073171 1033755074 /nfs/dbraw/zinc/75/50/74/1033755074.db2.gz HZCPSYVUBWGXJS-UHFFFAOYSA-N -1 1 313.397 3.815 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC[C@@H]1CCCC1(C)C ZINC000862362457 1033830745 /nfs/dbraw/zinc/83/07/45/1033830745.db2.gz GCYKGOCEXLRKFO-ZDUSSCGKSA-N -1 1 319.449 3.560 20 0 DHADMM COc1ccc(C[NH2+][C@@H](C)c2cccc(O)c2F)c(C)c1OC ZINC000927122884 1033920330 /nfs/dbraw/zinc/92/03/30/1033920330.db2.gz LMOUOFNSPXZDDS-LBPRGKRZSA-N -1 1 319.376 3.708 20 0 DHADMM Brc1nnc([N-]c2cncc3ccccc32)s1 ZINC001174098209 1034108755 /nfs/dbraw/zinc/10/87/55/1034108755.db2.gz AIXXMKMBFLITBT-UHFFFAOYSA-N -1 1 307.176 3.592 20 0 DHADMM CCCCNC(=O)c1ccc(Nc2ccc(F)c(F)c2[O-])cc1 ZINC001174124542 1034147546 /nfs/dbraw/zinc/14/75/46/1034147546.db2.gz DELHFSIPPARILM-UHFFFAOYSA-N -1 1 320.339 3.944 20 0 DHADMM CNC(=O)c1cccc(Nc2c(Cl)ccc([O-])c2Cl)c1 ZINC001174141124 1034165594 /nfs/dbraw/zinc/16/55/94/1034165594.db2.gz QHJDVKZFKRKUEC-UHFFFAOYSA-N -1 1 311.168 3.802 20 0 DHADMM CC(C)NC(=O)c1ccc(Nc2ccc(F)c(F)c2[O-])cc1 ZINC001174151526 1034177530 /nfs/dbraw/zinc/17/75/30/1034177530.db2.gz UHGJXLDEJBQSRD-UHFFFAOYSA-N -1 1 306.312 3.552 20 0 DHADMM CCN(CC)C(=O)c1cccc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001174167574 1034191827 /nfs/dbraw/zinc/19/18/27/1034191827.db2.gz UBSFISINXPMKEE-UHFFFAOYSA-N -1 1 320.339 3.896 20 0 DHADMM C/C=C\c1ccc([N-]S(=O)(=O)c2ccccc2COC)cc1 ZINC000554689701 1034273098 /nfs/dbraw/zinc/27/30/98/1034273098.db2.gz JHJSBLMRZIFQJZ-UTCJRWHESA-N -1 1 317.410 3.667 20 0 DHADMM Cc1ccc(-c2csc3[n-]c([C@H]4CCCO4)nc(=O)c23)cc1 ZINC000178984227 1034276506 /nfs/dbraw/zinc/27/65/06/1034276506.db2.gz BJJVYGFLFDNLKF-CYBMUJFWSA-N -1 1 312.394 3.812 20 0 DHADMM CCn1cc(Nc2cc(Br)cc(Cl)c2[O-])cn1 ZINC001174572974 1034485702 /nfs/dbraw/zinc/48/57/02/1034485702.db2.gz CAGDHSTVADWWES-UHFFFAOYSA-N -1 1 316.586 3.768 20 0 DHADMM O=C(C[C@H](c1ccccc1)C(F)(F)F)[N-]Oc1ccccc1 ZINC000773464670 1034831824 /nfs/dbraw/zinc/83/18/24/1034831824.db2.gz DIOFLCXMIZTDNV-CQSZACIVSA-N -1 1 309.287 3.833 20 0 DHADMM O=C(N[C@H]1c2ccccc2CC[C@H]1F)c1cc(Cl)ccc1[O-] ZINC001175764141 1035113922 /nfs/dbraw/zinc/11/39/22/1035113922.db2.gz QJRWKRCVOWZNBE-ZBFHGGJFSA-N -1 1 319.763 3.801 20 0 DHADMM COc1cc(Cl)cc(Nc2cc3ccc([O-])cc3oc2=O)c1 ZINC001176347844 1035247282 /nfs/dbraw/zinc/24/72/82/1035247282.db2.gz VHQWXNDGOLHZSW-UHFFFAOYSA-N -1 1 317.728 3.904 20 0 DHADMM [O-]c1cc(Nc2cnn(Cc3cccnc3)c2)c(F)cc1Cl ZINC001176459592 1035273214 /nfs/dbraw/zinc/27/32/14/1035273214.db2.gz STWLIJPMYPBVCA-UHFFFAOYSA-N -1 1 318.739 3.568 20 0 DHADMM COc1nc(Cl)ccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176663695 1035308921 /nfs/dbraw/zinc/30/89/21/1035308921.db2.gz LARLYHWTZHNAMR-UHFFFAOYSA-N -1 1 304.655 3.610 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ccc(CO)c(Cl)c2)c1F ZINC001176670637 1035310626 /nfs/dbraw/zinc/31/06/26/1035310626.db2.gz IWVMHOOYLHRYPQ-UHFFFAOYSA-N -1 1 303.667 3.699 20 0 DHADMM C[C@@H]1CCc2cc(N)ccc2N1c1c(F)cc(F)c([O-])c1F ZINC001176669015 1035310883 /nfs/dbraw/zinc/31/08/83/1035310883.db2.gz BUMZNIGFPLSZQP-MRVPVSSYSA-N -1 1 308.303 3.865 20 0 DHADMM COC(=O)c1ccc(C)cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176672882 1035311294 /nfs/dbraw/zinc/31/12/94/1035311294.db2.gz MZLDHRCRAQLNSB-UHFFFAOYSA-N -1 1 311.259 3.648 20 0 DHADMM CCN1Cc2cc(Nc3c(F)cc(F)c([O-])c3F)ccc2C1=O ZINC001176672385 1035311367 /nfs/dbraw/zinc/31/13/67/1035311367.db2.gz IROHTPBFZCZVNK-UHFFFAOYSA-N -1 1 322.286 3.529 20 0 DHADMM Cc1c(Nc2c(F)cc(F)c([O-])c2F)ccc2c1OCCO2 ZINC001176673590 1035311396 /nfs/dbraw/zinc/31/13/96/1035311396.db2.gz WWZBEPARJJOPCX-UHFFFAOYSA-N -1 1 311.259 3.633 20 0 DHADMM O=c1ccc2cc(Nc3c(F)cc(F)c([O-])c3F)ccc2o1 ZINC001176673797 1035311541 /nfs/dbraw/zinc/31/15/41/1035311541.db2.gz LZVGAPMYQCGSPY-UHFFFAOYSA-N -1 1 307.227 3.660 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cccc(Cn3cccn3)c2)c1F ZINC001176672492 1035312068 /nfs/dbraw/zinc/31/20/68/1035312068.db2.gz YCRRLMPFVCCMFE-UHFFFAOYSA-N -1 1 319.286 3.798 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cc(-c3ccccc3O)no2)c1F ZINC001176662900 1035316974 /nfs/dbraw/zinc/31/69/74/1035316974.db2.gz CAKCNLFRWIAOKZ-UHFFFAOYSA-N -1 1 322.242 3.914 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ccc(C(F)(F)F)cn2)c1F ZINC001176662365 1035317383 /nfs/dbraw/zinc/31/73/83/1035317383.db2.gz MMXGVMWFCKCUGN-UHFFFAOYSA-N -1 1 308.181 3.967 20 0 DHADMM C[C@@H](C(=O)[O-])[C@H](NCc1cscc1Cl)c1ccccc1 ZINC000904002903 1035338566 /nfs/dbraw/zinc/33/85/66/1035338566.db2.gz GNAVHTRDUKDCEG-YGRLFVJLSA-N -1 1 309.818 3.953 20 0 DHADMM O=C([O-])[C@@H](CC1CCC1)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000904018891 1035341068 /nfs/dbraw/zinc/34/10/68/1035341068.db2.gz PTPLGQUQODIOEU-MRXNPFEDSA-N -1 1 317.360 3.819 20 0 DHADMM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1ccncc1Cl ZINC000904033654 1035347500 /nfs/dbraw/zinc/34/75/00/1035347500.db2.gz VHNWZRCRKDKHJN-MRXNPFEDSA-N -1 1 318.804 3.603 20 0 DHADMM CC(C)c1nsc(NC(=O)c2ccc(C(C)C)cc2[O-])n1 ZINC001177128396 1035349524 /nfs/dbraw/zinc/34/95/24/1035349524.db2.gz LCMVAFMVFQCWGL-UHFFFAOYSA-N -1 1 305.403 3.743 20 0 DHADMM COc1ccc(-c2noc(Cc3ccc([O-])c(Cl)c3)n2)cc1 ZINC000904362093 1035404100 /nfs/dbraw/zinc/40/41/00/1035404100.db2.gz AQASEQGTTYGEEB-UHFFFAOYSA-N -1 1 316.744 3.695 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)c(Cl)c1 ZINC000485097386 1035473512 /nfs/dbraw/zinc/47/35/12/1035473512.db2.gz FEJDUYJXBXYENA-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM Cc1ccc(O[C@@H](C)C(=O)Nc2cc(F)c([O-])cc2Cl)cc1 ZINC001179656833 1035487526 /nfs/dbraw/zinc/48/75/26/1035487526.db2.gz WXEXJDLXTVEMEB-JTQLQIEISA-N -1 1 323.751 3.899 20 0 DHADMM CCCC[C@H](C)NC(=O)Nc1c(C)c(=O)[n-]n1-c1ccccc1 ZINC001193090717 1035550709 /nfs/dbraw/zinc/55/07/09/1035550709.db2.gz HBXRBSNIOKYMLD-LBPRGKRZSA-N -1 1 316.405 3.587 20 0 DHADMM [O-]c1cc(Nc2cccnc2C(F)(F)F)c(F)c(F)c1F ZINC001249960436 1035627335 /nfs/dbraw/zinc/62/73/35/1035627335.db2.gz HLIGFXJNYPMALM-UHFFFAOYSA-N -1 1 308.181 3.967 20 0 DHADMM CCOC(=O)c1c(C)[n-]sc1=NC(=O)OC1CCCCC1 ZINC001193602072 1035689926 /nfs/dbraw/zinc/68/99/26/1035689926.db2.gz RAQFTKCGHMYHOX-UHFFFAOYSA-N -1 1 312.391 3.509 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)Oc1ccccc1 ZINC001194262614 1035892198 /nfs/dbraw/zinc/89/21/98/1035892198.db2.gz NSPNSNIXUDOXKS-UHFFFAOYSA-N -1 1 308.131 3.766 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H]1c1ccccn1 ZINC000539844836 1035900738 /nfs/dbraw/zinc/90/07/38/1035900738.db2.gz QSIGWPMFIPEJLG-GOSISDBHSA-N -1 1 318.376 3.918 20 0 DHADMM Cn1ncc(NCc2ccc([O-])c(F)c2F)c1-c1ccccc1 ZINC001181645889 1035951862 /nfs/dbraw/zinc/95/18/62/1035951862.db2.gz IGLILTPVZJKRLG-UHFFFAOYSA-N -1 1 315.323 3.683 20 0 DHADMM CC(C)(C)OC1CC(CC(=O)Nc2ccc([O-])c(Cl)c2)C1 ZINC000485792983 1035957860 /nfs/dbraw/zinc/95/78/60/1035957860.db2.gz ZTCOEZIAKFLAET-UHFFFAOYSA-N -1 1 311.809 3.968 20 0 DHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(Cl)c(F)c1 ZINC001194634598 1035973982 /nfs/dbraw/zinc/97/39/82/1035973982.db2.gz WJCMGUWMQCZNEJ-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM Cc1ccnc(C(C)C)c1[N-]S(=O)(=O)c1c(C)cccc1C ZINC001194615823 1035982166 /nfs/dbraw/zinc/98/21/66/1035982166.db2.gz KBIKCQGJEVACDN-UHFFFAOYSA-N -1 1 318.442 3.931 20 0 DHADMM Cc1ccc2c(cccc2NC(=O)c2c[n-]c(C(F)(F)F)n2)n1 ZINC001194782035 1036021034 /nfs/dbraw/zinc/02/10/34/1036021034.db2.gz KRWIGWMHYDWOAL-UHFFFAOYSA-N -1 1 320.274 3.537 20 0 DHADMM CC[C@@H](C)COC(=O)Nc1ccc(Br)cc1[O-] ZINC001194800366 1036036376 /nfs/dbraw/zinc/03/63/76/1036036376.db2.gz IPTZRSWOKROFEY-MRVPVSSYSA-N -1 1 302.168 3.749 20 0 DHADMM Cc1cnc(C(=O)N(Cc2ccccc2F)CC(C)C)c([O-])c1 ZINC000494830469 1036073424 /nfs/dbraw/zinc/07/34/24/1036073424.db2.gz DARPTNUJQWJXIH-UHFFFAOYSA-N -1 1 316.376 3.533 20 0 DHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc3oncc3c2)c1 ZINC001195156766 1036163271 /nfs/dbraw/zinc/16/32/71/1036163271.db2.gz PWEOIPBYGOMZLI-UHFFFAOYSA-N -1 1 316.382 3.752 20 0 DHADMM CC[C@@H](NC(=O)c1cc([O-])cnc1Cl)c1ccc(C)cc1C ZINC001195315684 1036219191 /nfs/dbraw/zinc/21/91/91/1036219191.db2.gz RJQRSQZNOKYYSX-OAHLLOKOSA-N -1 1 318.804 3.939 20 0 DHADMM Cc1cnc(C(=O)N2CCC[C@@H]2c2ccc(C)c(C)c2)c([O-])c1 ZINC000495111092 1036261262 /nfs/dbraw/zinc/26/12/62/1036261262.db2.gz KRZOIWNHKXDQMY-MRXNPFEDSA-N -1 1 310.397 3.690 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1cccc(-c2ccccc2)c1 ZINC001195484740 1036264723 /nfs/dbraw/zinc/26/47/23/1036264723.db2.gz POXLERAZOYJVKK-UHFFFAOYSA-N -1 1 300.383 3.797 20 0 DHADMM CCN(C(=O)c1ccc2ccc(O)cc2c1[O-])[C@@H](C)C(C)C ZINC000908274682 1036372208 /nfs/dbraw/zinc/37/22/08/1036372208.db2.gz XXKIAPSBRMUHQI-LBPRGKRZSA-N -1 1 301.386 3.758 20 0 DHADMM CCc1cnccc1C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001196140128 1036447235 /nfs/dbraw/zinc/44/72/35/1036447235.db2.gz PPRDNZWXSWADMI-UHFFFAOYSA-N -1 1 310.275 3.621 20 0 DHADMM Cc1cc(F)ccc1NC(=S)Nc1cc(F)c(F)cc1[O-] ZINC001196122657 1036457245 /nfs/dbraw/zinc/45/72/45/1036457245.db2.gz NMAPTLRMKVCBIN-UHFFFAOYSA-N -1 1 312.316 3.927 20 0 DHADMM CCCC[C@H](C)C(=O)Nc1cccc([O-])c1Br ZINC000908708094 1036486518 /nfs/dbraw/zinc/48/65/18/1036486518.db2.gz PCJKDGPWRZFJKX-VIFPVBQESA-N -1 1 300.196 3.920 20 0 DHADMM C[C@@H]1CCC[C@@]1(C)C(=O)Nc1cccc([O-])c1Br ZINC000908707897 1036487474 /nfs/dbraw/zinc/48/74/74/1036487474.db2.gz ODKVTDLXFAMAMP-YMTOWFKASA-N -1 1 312.207 3.920 20 0 DHADMM CSCCCCC(=O)Nc1cccc([O-])c1Br ZINC000908713471 1036489942 /nfs/dbraw/zinc/48/99/42/1036489942.db2.gz VNZPCGDZOITKCO-UHFFFAOYSA-N -1 1 318.236 3.627 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC001183217338 1036544410 /nfs/dbraw/zinc/54/44/10/1036544410.db2.gz AEFIEHJPVRTHDT-GRYCIOLGSA-N -1 1 308.809 3.986 20 0 DHADMM CC[C@H](Cc1ccccc1)C(=O)Nc1nc(Cl)ccc1[O-] ZINC001183209531 1036550898 /nfs/dbraw/zinc/55/08/98/1036550898.db2.gz ASSYDDYSZTUJOL-GFCCVEGCSA-N -1 1 304.777 3.648 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)c1ccn(C2CCCCC2)n1 ZINC000909986897 1036731545 /nfs/dbraw/zinc/73/15/45/1036731545.db2.gz XCGLRKNTFPCGKK-UHFFFAOYSA-N -1 1 321.327 3.624 20 0 DHADMM O=C(CC[C@@H]1CC1(Cl)Cl)Nc1cc([O-])c(F)cc1F ZINC000909988375 1036742979 /nfs/dbraw/zinc/74/29/79/1036742979.db2.gz HWFVUQIYDZEJAX-ZCFIWIBFSA-N -1 1 310.127 3.583 20 0 DHADMM O=C(Nc1cc(F)cc(F)c1[O-])c1ccn(C2CCCCC2)n1 ZINC000910995633 1037025824 /nfs/dbraw/zinc/02/58/24/1037025824.db2.gz YMIITNHCGWTLJZ-UHFFFAOYSA-N -1 1 321.327 3.624 20 0 DHADMM [O-]c1c(NC(=S)NC2CCCC2)cccc1C(F)(F)F ZINC001198558110 1037057068 /nfs/dbraw/zinc/05/70/68/1037057068.db2.gz UHBCZSBIODYHBF-UHFFFAOYSA-N -1 1 304.337 3.640 20 0 DHADMM CC(C)OCc1cccc(NC(=O)c2ccc([O-])cc2F)c1 ZINC000162578376 1037201260 /nfs/dbraw/zinc/20/12/60/1037201260.db2.gz DRBMTOXQSAKBEX-UHFFFAOYSA-N -1 1 303.333 3.709 20 0 DHADMM O=C(Nc1ccc2c(c1)CCC2)Nc1cc(F)c(F)cc1[O-] ZINC001185763637 1037229735 /nfs/dbraw/zinc/22/97/35/1037229735.db2.gz NFFXXKBIFMTXEF-UHFFFAOYSA-N -1 1 304.296 3.803 20 0 DHADMM CCCCN(Cc1ccccc1)C(=O)c1ccc([O-])cc1F ZINC001186327186 1037360444 /nfs/dbraw/zinc/36/04/44/1037360444.db2.gz MAGDRXMNGWYBKE-UHFFFAOYSA-N -1 1 301.361 3.974 20 0 DHADMM O=C(Nc1ncc(-c2ccccc2)s1)c1ccc([O-])cc1F ZINC001186311258 1037364974 /nfs/dbraw/zinc/36/49/74/1037364974.db2.gz PBLPHVFAHVGPMX-UHFFFAOYSA-N -1 1 314.341 3.907 20 0 DHADMM O=C(Nc1cc(Cl)cc2[nH]ccc21)c1ccc([O-])cc1F ZINC001186329806 1037377585 /nfs/dbraw/zinc/37/75/85/1037377585.db2.gz WIVSBIMSCQMDDT-UHFFFAOYSA-N -1 1 304.708 3.918 20 0 DHADMM [O-]c1c(F)cc(NC(=S)NC2CCCCCC2)cc1F ZINC001199968575 1037388140 /nfs/dbraw/zinc/38/81/40/1037388140.db2.gz APWCQMFOQORCGQ-UHFFFAOYSA-N -1 1 300.374 3.680 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])N[C@H]1CCCc2ccccc21 ZINC001186453275 1037402932 /nfs/dbraw/zinc/40/29/32/1037402932.db2.gz IEKBZQXMWRQJGL-AWEZNQCLSA-N -1 1 300.333 3.730 20 0 DHADMM C[C@@H](C(=O)[N-]OCc1cccnc1)c1ccc2ccccc2c1 ZINC000152685681 1037513008 /nfs/dbraw/zinc/51/30/08/1037513008.db2.gz JOWWAVDUDMYVBD-CQSZACIVSA-N -1 1 306.365 3.586 20 0 DHADMM COc1ccc(N(CC2CC2)C(=O)c2ccc([O-])c(F)c2)cc1 ZINC000653824485 1037558037 /nfs/dbraw/zinc/55/80/37/1037558037.db2.gz OFYGKFNEDMTWBS-UHFFFAOYSA-N -1 1 315.344 3.597 20 0 DHADMM CCCCC[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F ZINC001201243912 1037578165 /nfs/dbraw/zinc/57/81/65/1037578165.db2.gz CUBIJYUZCWJEBV-UHFFFAOYSA-N -1 1 314.209 3.601 20 0 DHADMM CC1(C)CCC([N-]S(=O)(=O)c2sccc2Cl)CC1 ZINC001187362183 1037620720 /nfs/dbraw/zinc/62/07/20/1037620720.db2.gz IPMQFHCRQGEIIC-UHFFFAOYSA-N -1 1 307.868 3.649 20 0 DHADMM O=C(Nc1cc(F)cc(F)c1)Nc1cc(F)cc(F)c1[O-] ZINC001187580228 1037668857 /nfs/dbraw/zinc/66/88/57/1037668857.db2.gz QJMIIRJGIPAUJK-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM C[C@H]1CC(C)(C)CC[C@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC001187760736 1037722668 /nfs/dbraw/zinc/72/26/68/1037722668.db2.gz OEYXPAQAKJVDBM-GXTWGEPZSA-N -1 1 321.442 3.926 20 0 DHADMM CCCc1cc(=O)[n-]c(SCCO[C@@H]2CCCC[C@@H]2C)n1 ZINC001188163203 1037831277 /nfs/dbraw/zinc/83/12/77/1037831277.db2.gz PPLHYHARKLMYHD-GXTWGEPZSA-N -1 1 310.463 3.822 20 0 DHADMM O=C([N-]c1nc(C2CCCCC2)cs1)c1nnc(C2CC2)o1 ZINC000913424938 1037860550 /nfs/dbraw/zinc/86/05/50/1037860550.db2.gz LKEZAQQUKLOFLN-UHFFFAOYSA-N -1 1 318.402 3.704 20 0 DHADMM COc1ccc(OC)c(NC(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC001188345822 1037873806 /nfs/dbraw/zinc/87/38/06/1037873806.db2.gz LDALMUSBYFDNLJ-UHFFFAOYSA-N -1 1 322.748 3.707 20 0 DHADMM O=S(=O)(CC1CC1)[N-]c1ccccc1OC1CCCCC1 ZINC001188974228 1038028637 /nfs/dbraw/zinc/02/86/37/1038028637.db2.gz UBBLMZJREDSXFY-UHFFFAOYSA-N -1 1 309.431 3.550 20 0 DHADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)Cc2ccccc2C)n[nH]1 ZINC000494301864 1038044822 /nfs/dbraw/zinc/04/48/22/1038044822.db2.gz SMKAOZZQPNJZPV-CYBMUJFWSA-N -1 1 321.446 3.564 20 0 DHADMM Cc1cccc(C)c1NC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001202209621 1038105011 /nfs/dbraw/zinc/10/50/11/1038105011.db2.gz PSTLMWUAJXVXOC-UHFFFAOYSA-N -1 1 322.368 3.839 20 0 DHADMM Cc1[n-][nH]c(=O)c1NC(=O)CCCCCO[C@H]1CCC[C@H](C)C1 ZINC000615223088 1038159362 /nfs/dbraw/zinc/15/93/62/1038159362.db2.gz YCZBDDLEUMVENM-JSGCOSHPSA-N -1 1 323.437 3.518 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])C1(c2ccc(F)cc2F)CCC1 ZINC001151779761 1038178927 /nfs/dbraw/zinc/17/89/27/1038178927.db2.gz MAZPUAINWXXZGZ-UHFFFAOYSA-N -1 1 321.298 3.870 20 0 DHADMM CCc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)s1 ZINC000917113934 1038222533 /nfs/dbraw/zinc/22/25/33/1038222533.db2.gz OMFRPXSARLNUIC-UHFFFAOYSA-N -1 1 313.382 3.659 20 0 DHADMM O=C(Nc1ncccc1[O-])NC1c2ccccc2-c2ccccc21 ZINC001190014007 1038243311 /nfs/dbraw/zinc/24/33/11/1038243311.db2.gz DXTORYUZZYZGKW-UHFFFAOYSA-N -1 1 317.348 3.679 20 0 DHADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(C2CC2)cc1 ZINC001190464283 1038326046 /nfs/dbraw/zinc/32/60/46/1038326046.db2.gz QOWRQBKYEFOILG-UHFFFAOYSA-N -1 1 309.337 3.643 20 0 DHADMM Cc1ccc(-c2ccc([N-]S(=O)(=O)c3ccncc3)cc2)cc1 ZINC001190896510 1038401754 /nfs/dbraw/zinc/40/17/54/1038401754.db2.gz NPJYLJOYOMWZTJ-UHFFFAOYSA-N -1 1 324.405 3.858 20 0 DHADMM O=S(=O)([N-]CC1(C2CCC2)CCC1)c1cc2ccccc2o1 ZINC001191065476 1038427737 /nfs/dbraw/zinc/42/77/37/1038427737.db2.gz PGWFJHVLNFYPHQ-UHFFFAOYSA-N -1 1 319.426 3.682 20 0 DHADMM Cc1cc(F)ncc1NC(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192313639 1038625174 /nfs/dbraw/zinc/62/51/74/1038625174.db2.gz FXBYANBEHURGCY-UHFFFAOYSA-N -1 1 302.349 3.785 20 0 DHADMM CC(C)(C)c1ccc(C(=O)Nc2cnn(C(F)F)c2)c([O-])c1 ZINC001192314264 1038625181 /nfs/dbraw/zinc/62/51/81/1038625181.db2.gz MYNSFXDACZUBSI-UHFFFAOYSA-N -1 1 309.316 3.534 20 0 DHADMM CC(=O)c1ncccc1NC(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192313762 1038625490 /nfs/dbraw/zinc/62/54/90/1038625490.db2.gz IEZDOTUVSUANOA-UHFFFAOYSA-N -1 1 312.369 3.540 20 0 DHADMM O=C(Nc1cccc2cncc(F)c21)c1c(F)ccc([O-])c1F ZINC001192539349 1038678147 /nfs/dbraw/zinc/67/81/47/1038678147.db2.gz HTRMCHKRQSAHLN-UHFFFAOYSA-N -1 1 318.254 3.610 20 0 DHADMM O=C(Nc1cc(C2CCCC2)no1)c1cc([O-])cc(F)c1F ZINC001192652007 1038686991 /nfs/dbraw/zinc/68/69/91/1038686991.db2.gz SEMDMVJVCDXYIY-UHFFFAOYSA-N -1 1 308.284 3.568 20 0 DHADMM O=C(Nc1ccc(C2CCC2)nc1)c1cc([O-])cc(F)c1F ZINC001192660886 1038687096 /nfs/dbraw/zinc/68/70/96/1038687096.db2.gz FJUQWURGBABUNO-UHFFFAOYSA-N -1 1 304.296 3.585 20 0 DHADMM CC[C@@H](OCCCC[P@](=O)([O-])O)c1cccc(F)c1C ZINC001225018948 1039015505 /nfs/dbraw/zinc/01/55/05/1039015505.db2.gz MUQMGCHNGUUQKG-CQSZACIVSA-N -1 1 304.298 3.560 20 0 DHADMM O=[P@]([O-])(O)CCCCOC1CC(c2ccccc2Cl)C1 ZINC001225019105 1039017053 /nfs/dbraw/zinc/01/70/53/1039017053.db2.gz RMGBCOOZKQDGAX-UHFFFAOYSA-N -1 1 318.737 3.561 20 0 DHADMM CCSc1cccc([N-]S(=O)(=O)c2cccc(OC)c2)c1 ZINC000603680829 1039116014 /nfs/dbraw/zinc/11/60/14/1039116014.db2.gz OQHYFYLMXZVTEH-UHFFFAOYSA-N -1 1 323.439 3.608 20 0 DHADMM O=C([O-])CCN(Cc1ccccc1)Cc1ccccc1Cl ZINC000604773300 1039535379 /nfs/dbraw/zinc/53/53/79/1039535379.db2.gz YNYAQAOFDIBGBD-UHFFFAOYSA-N -1 1 303.789 3.817 20 0 DHADMM CC(C)(C)n1nc(C(=O)Nc2c([O-])cccc2F)cc1C1CC1 ZINC000605435332 1039681451 /nfs/dbraw/zinc/68/14/51/1039681451.db2.gz QOWIFKATIXXZEH-UHFFFAOYSA-N -1 1 317.364 3.613 20 0 DHADMM CCOc1ccc(CCC(=O)Nc2c([O-])cccc2F)cc1 ZINC000605437015 1039682433 /nfs/dbraw/zinc/68/24/33/1039682433.db2.gz OAJVLMBUBWGILG-UHFFFAOYSA-N -1 1 303.333 3.501 20 0 DHADMM C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2c([O-])cccc2F)o1 ZINC000605440116 1039684395 /nfs/dbraw/zinc/68/43/95/1039684395.db2.gz KPLDOCHKINNGRZ-JQWIXIFHSA-N -1 1 303.333 3.819 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1cc2ccc(Cl)cc2[nH]1 ZINC000605439956 1039684797 /nfs/dbraw/zinc/68/47/97/1039684797.db2.gz YXVSTUXKYDJHEW-UHFFFAOYSA-N -1 1 304.708 3.918 20 0 DHADMM O=C(OCc1nc2ccccc2s1)c1c([O-])cc(F)cc1F ZINC000063543567 1040351919 /nfs/dbraw/zinc/35/19/19/1040351919.db2.gz ARSXSCNFXBMQOK-UHFFFAOYSA-N -1 1 321.304 3.637 20 0 DHADMM Cc1ccc(Br)cc1C(=O)Nc1ccc(F)cc1[O-] ZINC000533971705 1040433492 /nfs/dbraw/zinc/43/34/92/1040433492.db2.gz XWRUVWZFVSIHDU-UHFFFAOYSA-N -1 1 324.149 3.855 20 0 DHADMM Cc1cc(F)cc2[nH]c(C(=O)Nc3c([O-])cccc3F)cc21 ZINC000608365953 1040474085 /nfs/dbraw/zinc/47/40/85/1040474085.db2.gz MDGWNHHLNKAQIW-UHFFFAOYSA-N -1 1 302.280 3.712 20 0 DHADMM O=C(Nc1c([O-])cccc1F)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000608367391 1040474208 /nfs/dbraw/zinc/47/42/08/1040474208.db2.gz YHINQQXVQNTEQH-AUUYWEPGSA-N -1 1 311.356 3.764 20 0 DHADMM O=C(Nc1c([O-])cccc1F)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000608366278 1040474308 /nfs/dbraw/zinc/47/43/08/1040474308.db2.gz HPAAXHCKGPAONJ-VHSXEESVSA-N -1 1 307.271 3.552 20 0 DHADMM O=C(Nc1c([O-])cccc1F)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000608365385 1040474414 /nfs/dbraw/zinc/47/44/14/1040474414.db2.gz DZKQETTYXOWVGZ-RKDXNWHRSA-N -1 1 307.271 3.552 20 0 DHADMM O=C(Nc1c([O-])cccc1F)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000608367003 1040475152 /nfs/dbraw/zinc/47/51/52/1040475152.db2.gz GBPRIGJIOXVITK-KOLCDFICSA-N -1 1 307.271 3.552 20 0 DHADMM Cc1sc([N-]C(=O)c2ocnc2C(F)(F)F)nc1C(C)C ZINC000636158454 1040698894 /nfs/dbraw/zinc/69/88/94/1040698894.db2.gz QEVFTENKUFJUIL-UHFFFAOYSA-N -1 1 319.308 3.834 20 0 DHADMM CCO[C@H](CC(=O)Nc1ccc([O-])c(F)c1F)C1=CCCC1 ZINC000456779911 1040917729 /nfs/dbraw/zinc/91/77/29/1040917729.db2.gz IDKUQVCMBMRVOG-CYBMUJFWSA-N -1 1 311.328 3.514 20 0 DHADMM CC[C@@H]1CCc2nc(NC(=O)c3ccc([O-])cc3F)sc2C1 ZINC000181154469 334962288 /nfs/dbraw/zinc/96/22/88/334962288.db2.gz YFPZMBYUFSSDRZ-SECBINFHSA-N -1 1 320.389 3.755 20 0 DHADMM O=C(Cc1cccc(C(F)(F)F)c1)Nc1c([O-])cccc1F ZINC000078807004 191937658 /nfs/dbraw/zinc/93/76/58/191937658.db2.gz UIQLZWKXOCAEQI-UHFFFAOYSA-N -1 1 313.250 3.731 20 0 DHADMM CCOc1cc(C(=O)N[C@@H]2CC23CCCCC3)cc(Cl)c1[O-] ZINC000186984517 200043547 /nfs/dbraw/zinc/04/35/47/200043547.db2.gz ARLVMGKGSZSECN-CQSZACIVSA-N -1 1 323.820 3.897 20 0 DHADMM C[C@H](CCc1ccco1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000320444543 335020805 /nfs/dbraw/zinc/02/08/05/335020805.db2.gz WVHDVAMPVYPSFB-CYBMUJFWSA-N -1 1 309.365 3.890 20 0 DHADMM CCc1c(C(=O)Nc2ccc([O-])c(Cl)c2)cnn1C(C)(C)C ZINC000272548437 130041129 /nfs/dbraw/zinc/04/11/29/130041129.db2.gz ALIXPPYYBOFFFD-UHFFFAOYSA-N -1 1 321.808 3.812 20 0 DHADMM CCOc1cc(C(=O)N(CC(F)F)C(C)C)cc(Cl)c1[O-] ZINC000273802454 130168975 /nfs/dbraw/zinc/16/89/75/130168975.db2.gz BGYZWZHIHFOHQX-UHFFFAOYSA-N -1 1 321.751 3.560 20 0 DHADMM CCOc1cc(C(=O)N2[C@H](C)CC[C@@H]2CC)cc(Cl)c1[O-] ZINC000273822272 130172284 /nfs/dbraw/zinc/17/22/84/130172284.db2.gz FWZSZXHYBZKXJY-PWSUYJOCSA-N -1 1 311.809 3.847 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCCC[C@H]1c1cc[nH]n1 ZINC000285889895 131207790 /nfs/dbraw/zinc/20/77/90/131207790.db2.gz CZDPOONYPJOBGB-KRWDZBQOSA-N -1 1 321.380 3.636 20 0 DHADMM C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1c(F)ccc([O-])c1F ZINC000289087382 131357205 /nfs/dbraw/zinc/35/72/05/131357205.db2.gz BFWIWEDDRDCDCM-WCQYABFASA-N -1 1 317.335 3.689 20 0 DHADMM [O-]c1ccc(-c2noc(-c3noc4c3CCCCC4)n2)cc1F ZINC000289110793 131359194 /nfs/dbraw/zinc/35/91/94/131359194.db2.gz PJGITQWJITVCSB-UHFFFAOYSA-N -1 1 315.304 3.505 20 0 DHADMM CC(C)[C@H]1OCC[C@@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000289131961 131360386 /nfs/dbraw/zinc/36/03/86/131360386.db2.gz REYVWEMHEDKEDA-WCQYABFASA-N -1 1 308.765 3.624 20 0 DHADMM C[C@@H]1C(=O)CC[C@@H](c2nc(-c3ccc([O-])cc3F)no2)C1(C)C ZINC000289181973 131364049 /nfs/dbraw/zinc/36/40/49/131364049.db2.gz WJEYOLFKJHMDPD-SKDRFNHKSA-N -1 1 318.348 3.690 20 0 DHADMM Cc1ccc(NCc2cnc(-c3ccccc3)[nH]2)cc1C(=O)[O-] ZINC000340680080 132143803 /nfs/dbraw/zinc/14/38/03/132143803.db2.gz YBTMCOOVXBQMPK-UHFFFAOYSA-N -1 1 307.353 3.695 20 0 DHADMM C[C@@H](NCc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)[O-] ZINC000340700104 132164517 /nfs/dbraw/zinc/16/45/17/132164517.db2.gz ZVKQSLOJDAJWOV-SECBINFHSA-N -1 1 313.275 3.528 20 0 DHADMM Cc1cccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)c1C ZINC000417704244 335064970 /nfs/dbraw/zinc/06/49/70/335064970.db2.gz MMOGAFYVBCHWCJ-UHFFFAOYSA-N -1 1 310.397 3.564 20 0 DHADMM CC(C)C(C)(C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000556503344 331708860 /nfs/dbraw/zinc/70/88/60/331708860.db2.gz VBVIINWNEZNPCS-UHFFFAOYSA-N -1 1 316.275 3.768 20 0 DHADMM CCCCN(C)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000518385985 332023292 /nfs/dbraw/zinc/02/32/92/332023292.db2.gz AUPVOCNYEREZBQ-UHFFFAOYSA-N -1 1 304.415 3.740 20 0 DHADMM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000091677378 332110131 /nfs/dbraw/zinc/11/01/31/332110131.db2.gz AXNKWIOTLKEKEA-HNNXBMFYSA-N -1 1 301.361 3.625 20 0 DHADMM C[C@H](CC(=O)c1ccco1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000092600932 332135905 /nfs/dbraw/zinc/13/59/05/332135905.db2.gz IQZJAGXOBSFFSU-GFCCVEGCSA-N -1 1 323.348 3.530 20 0 DHADMM CC[C@H]1CCCCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000133093826 332136617 /nfs/dbraw/zinc/13/66/17/332136617.db2.gz QAMDCFUPZQWSKG-NSHDSACASA-N -1 1 312.207 3.559 20 0 DHADMM [O-]c1ccc(-c2noc(CCc3ccc(F)cc3F)n2)cc1F ZINC000445484084 332147893 /nfs/dbraw/zinc/14/78/93/332147893.db2.gz VVLSFCBLUHOQHG-UHFFFAOYSA-N -1 1 320.270 3.645 20 0 DHADMM Cc1cc(Cl)ccc1CN[C@@H](C(=O)[O-])c1ccccc1F ZINC000426780791 332152264 /nfs/dbraw/zinc/15/22/64/332152264.db2.gz AKNIBOSFHWKEBV-OAHLLOKOSA-N -1 1 307.752 3.703 20 0 DHADMM O=C([O-])[C@H](NCc1ccc(Cl)cc1Cl)c1ccsc1 ZINC000426782531 332152817 /nfs/dbraw/zinc/15/28/17/332152817.db2.gz GNQNCFSBKJGIKE-GFCCVEGCSA-N -1 1 316.209 3.970 20 0 DHADMM CCc1ccc([C@H](NCc2ccc(Cl)cc2F)C(=O)[O-])cc1 ZINC000426798219 332154754 /nfs/dbraw/zinc/15/47/54/332154754.db2.gz ISWXUWAQEADYOV-INIZCTEOSA-N -1 1 321.779 3.957 20 0 DHADMM O=C([O-])[C@@H](NCc1cc(F)cc(Cl)c1)c1cccc(F)c1 ZINC000426813838 332157179 /nfs/dbraw/zinc/15/71/79/332157179.db2.gz ZZDWARLLSJEDIE-AWEZNQCLSA-N -1 1 311.715 3.534 20 0 DHADMM O=C(c1ccc(Br)cc1[O-])N(C1CC1)C1CCCC1 ZINC000094106989 332265811 /nfs/dbraw/zinc/26/58/11/332265811.db2.gz YVHGFNUNNYABSS-UHFFFAOYSA-N -1 1 324.218 3.702 20 0 DHADMM CCCN(CC(C)C)C(=O)c1ccc(Br)cc1[O-] ZINC000381272597 332268868 /nfs/dbraw/zinc/26/88/68/332268868.db2.gz SAWWXZYOVKMHCM-UHFFFAOYSA-N -1 1 314.223 3.663 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CN(Cc1ccc(F)cc1)C1CC1 ZINC000566359065 332376525 /nfs/dbraw/zinc/37/65/25/332376525.db2.gz POFZABAWOQXURR-UHFFFAOYSA-N -1 1 303.333 3.590 20 0 DHADMM C[C@H]1COCC[C@@H]1c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000562463484 332595407 /nfs/dbraw/zinc/59/54/07/332595407.db2.gz WHQAHLGTVYKKTF-AAEUAGOBSA-N -1 1 310.353 3.735 20 0 DHADMM CCC[C@@H](C(=O)[O-])N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000580206225 333006708 /nfs/dbraw/zinc/00/67/08/333006708.db2.gz WBMIDVJGQNEPSQ-OLZOCXBDSA-N -1 1 304.415 3.687 20 0 DHADMM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc([O-])cc1F ZINC000181091464 333029382 /nfs/dbraw/zinc/02/93/82/333029382.db2.gz QCRQHULLFXZQRG-SECBINFHSA-N -1 1 309.287 3.643 20 0 DHADMM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc([O-])cc1F ZINC000181091448 333029451 /nfs/dbraw/zinc/02/94/51/333029451.db2.gz QCRQHULLFXZQRG-VIFPVBQESA-N -1 1 309.287 3.643 20 0 DHADMM O=C(N[C@H]1CCSc2ccc(F)cc21)c1ccc([O-])cc1F ZINC000181067085 333029567 /nfs/dbraw/zinc/02/95/67/333029567.db2.gz VXPUMTGWNIAOCI-AWEZNQCLSA-N -1 1 321.348 3.637 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000181185231 333029763 /nfs/dbraw/zinc/02/97/63/333029763.db2.gz SNHAGRFQFMMNCT-CQSZACIVSA-N -1 1 317.335 3.518 20 0 DHADMM Cn1cccc1[C@@H]1CCCCCN1C(=O)c1ccc([O-])cc1F ZINC000181857274 333035522 /nfs/dbraw/zinc/03/55/22/333035522.db2.gz OWEOYHNKFCJPAQ-KRWDZBQOSA-N -1 1 316.376 3.627 20 0 DHADMM Cc1nc(CSc2nc(C3CC3)cc(=O)[n-]2)nc2ccccc12 ZINC000188148585 333038123 /nfs/dbraw/zinc/03/81/23/333038123.db2.gz VLLICLLPPSZKGU-UHFFFAOYSA-N -1 1 324.409 3.604 20 0 DHADMM C[C@@H](C1CC1)n1nccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000216180960 333149563 /nfs/dbraw/zinc/14/95/63/333149563.db2.gz JXHJCXIPJBGJRJ-LBPRGKRZSA-N -1 1 321.380 3.965 20 0 DHADMM CCCCN(C(=O)c1cc(Br)ccc1[O-])C1CC1 ZINC000221302545 333152882 /nfs/dbraw/zinc/15/28/82/333152882.db2.gz UOWPAPYVEZQPCJ-UHFFFAOYSA-N -1 1 312.207 3.559 20 0 DHADMM COc1cc(-c2nc(-c3cc(C)oc3C)no2)cc(Cl)c1[O-] ZINC000445857989 333167003 /nfs/dbraw/zinc/16/70/03/333167003.db2.gz ANSXNFQJRDPBKX-UHFFFAOYSA-N -1 1 320.732 3.981 20 0 DHADMM CS[C@H]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2[O-])C1 ZINC000390266693 333255646 /nfs/dbraw/zinc/25/56/46/333255646.db2.gz XEEPWWGOLSQHAG-KGLIPLIRSA-N -1 1 315.438 3.949 20 0 DHADMM O=C(Nc1cccc(Oc2ccccc2)c1)c1cncc([O-])c1 ZINC000320746699 335133651 /nfs/dbraw/zinc/13/36/51/335133651.db2.gz WUOPYAKDBRCOHF-UHFFFAOYSA-N -1 1 306.321 3.832 20 0 DHADMM CSc1c(F)cc(NC(=O)c2ccc([O-])cc2F)cc1F ZINC000184346452 333356036 /nfs/dbraw/zinc/35/60/36/333356036.db2.gz KZYSZXZQTMCKRZ-UHFFFAOYSA-N -1 1 313.300 3.784 20 0 DHADMM O=C(Cc1cc(F)c(F)cc1F)Nc1ccc([O-])c(Cl)c1 ZINC000157280287 333366862 /nfs/dbraw/zinc/36/68/62/333366862.db2.gz XHOXIIBACHNBEE-UHFFFAOYSA-N -1 1 315.678 3.644 20 0 DHADMM C[C@]1(Cc2ccccc2)CCCN1C(=O)c1ccc([O-])cc1F ZINC000186228084 333372267 /nfs/dbraw/zinc/37/22/67/333372267.db2.gz YJKUTSBVZPQIEZ-LJQANCHMSA-N -1 1 313.372 3.769 20 0 DHADMM C[C@@H]1CCCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000186438768 333373863 /nfs/dbraw/zinc/37/38/63/333373863.db2.gz MAJDUYCSKQUYGH-SNVBAGLBSA-N -1 1 301.308 3.673 20 0 DHADMM CC(C)CC1(C[N-]S(=O)(=O)c2cc3ccccc3o2)CC1 ZINC000531803735 333564196 /nfs/dbraw/zinc/56/41/96/333564196.db2.gz CGLVSWBQHVKWAI-UHFFFAOYSA-N -1 1 307.415 3.537 20 0 DHADMM [O-]c1ccc(-c2noc([C@@H]3C[C@]34CCc3ccccc34)n2)cc1F ZINC000563342354 333591475 /nfs/dbraw/zinc/59/14/75/333591475.db2.gz AESGJUAESACUNV-LIRRHRJNSA-N -1 1 322.339 3.953 20 0 DHADMM CCc1nc(SCCCc2cccc(OC)c2)[n-]c(=O)c1C ZINC000563440625 333606223 /nfs/dbraw/zinc/60/62/23/333606223.db2.gz UANOQODSYDXECE-UHFFFAOYSA-N -1 1 318.442 3.787 20 0 DHADMM O=C(c1c(F)ccc([O-])c1F)N1CCCC2(CCCCC2)C1 ZINC000343428016 335163842 /nfs/dbraw/zinc/16/38/42/335163842.db2.gz LLORQQLVJHUYIB-UHFFFAOYSA-N -1 1 309.356 3.857 20 0 DHADMM CCCOc1cc(C)ccc1CNCc1ccc(C(=O)[O-])cc1 ZINC000414638524 334050068 /nfs/dbraw/zinc/05/00/68/334050068.db2.gz OFLOLVPRMSGBNM-UHFFFAOYSA-N -1 1 313.397 3.772 20 0 DHADMM C[C@@H](C[N@@H+](C)Cc1ccc(-c2ccccc2)cc1F)C(=O)[O-] ZINC000414661817 334060005 /nfs/dbraw/zinc/06/00/05/334060005.db2.gz YBRVQIBUXHCDGC-ZDUSSCGKSA-N -1 1 301.361 3.645 20 0 DHADMM CC[C@H](C)N(CC(=O)[O-])Cc1cnc(-c2ccc(C)cc2)s1 ZINC000414686782 334069252 /nfs/dbraw/zinc/06/92/52/334069252.db2.gz VZQQMFROLMHVGV-ZDUSSCGKSA-N -1 1 318.442 3.804 20 0 DHADMM Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000048653643 334291296 /nfs/dbraw/zinc/29/12/96/334291296.db2.gz HAVIXQDCXGMSAT-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM COc1cccc([C@@H](C)CC(=O)Nc2ccc(F)cc2[O-])c1 ZINC000532012736 334373870 /nfs/dbraw/zinc/37/38/70/334373870.db2.gz BIKNWHIIXUVGHC-NSHDSACASA-N -1 1 303.333 3.672 20 0 DHADMM COc1cc(C(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)cc(Cl)c1[O-] ZINC000443138413 338445305 /nfs/dbraw/zinc/44/53/05/338445305.db2.gz VHFZDVZQUDVNLJ-DIFFPNOSSA-N -1 1 323.820 3.707 20 0 DHADMM CCS[C@H](C)c1noc(-c2cc(Cl)c([O-])c(OC)c2)n1 ZINC000443221508 338447985 /nfs/dbraw/zinc/44/79/85/338447985.db2.gz LLCFVSTULHVSJG-SSDOTTSWSA-N -1 1 314.794 3.918 20 0 DHADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000443397276 338450548 /nfs/dbraw/zinc/45/05/48/338450548.db2.gz DILQSRXODQWWCA-UHFFFAOYSA-N -1 1 305.399 3.503 20 0 DHADMM CCN(Cc1c[nH]c2ccccc12)C(=O)c1ccc([O-])cc1F ZINC000189571457 334899409 /nfs/dbraw/zinc/89/94/09/334899409.db2.gz FIPORVXKXVVJPW-UHFFFAOYSA-N -1 1 312.344 3.675 20 0 DHADMM O=S(=O)([N-]c1ccsc1Cl)c1cccc2cccnc21 ZINC000189733128 334909695 /nfs/dbraw/zinc/90/96/95/334909695.db2.gz YQSYWGPSHVKLIB-UHFFFAOYSA-N -1 1 324.814 3.751 20 0 DHADMM COc1cc(C(=O)[N-]c2nc3c(s2)c(Cl)ccc3C)on1 ZINC000344474666 335251746 /nfs/dbraw/zinc/25/17/46/335251746.db2.gz XPIYZFWIKUKWPQ-UHFFFAOYSA-N -1 1 323.761 3.507 20 0 DHADMM O=C(c1cncc([O-])c1)N(Cc1ccccc1)C1CCCCC1 ZINC000346300900 335393893 /nfs/dbraw/zinc/39/38/93/335393893.db2.gz IZEYLAICNZNCNE-UHFFFAOYSA-N -1 1 310.397 3.762 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H]1CCc1ccccc1 ZINC000094019540 335699443 /nfs/dbraw/zinc/69/94/43/335699443.db2.gz ONXVMCJSDNPYMN-INIZCTEOSA-N -1 1 313.372 3.769 20 0 DHADMM Cc1ccccc1CCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000351499383 336038550 /nfs/dbraw/zinc/03/85/50/336038550.db2.gz AYFSJYAELHTEAA-UHFFFAOYSA-N -1 1 321.380 3.662 20 0 DHADMM Cc1cnc(C(=O)N2CC[C@@H](c3ccccc3)C[C@H]2C)c([O-])c1 ZINC000332382676 336170661 /nfs/dbraw/zinc/17/06/61/336170661.db2.gz HOJZJHZCVGOFOT-GDBMZVCRSA-N -1 1 310.397 3.504 20 0 DHADMM O=C(c1cncc([O-])c1)N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000333968992 336214860 /nfs/dbraw/zinc/21/48/60/336214860.db2.gz UFUJCXIQZICDMO-QGZVFWFLSA-N -1 1 308.381 3.545 20 0 DHADMM [O-]c1ccc(-c2nc3cc(Br)cnc3[nH]2)cc1Cl ZINC000043461000 336254494 /nfs/dbraw/zinc/25/44/94/336254494.db2.gz PBUPDZMKVNSJJG-UHFFFAOYSA-N -1 1 324.565 3.746 20 0 DHADMM O=C(CCCOc1ccccc1Cl)Nc1ccc(F)cc1[O-] ZINC000532622239 336257280 /nfs/dbraw/zinc/25/72/80/336257280.db2.gz OXXXZXJPLFFNFU-UHFFFAOYSA-N -1 1 323.751 3.982 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N(Cc1ccccn1)C1CC1 ZINC000192766676 336262273 /nfs/dbraw/zinc/26/22/73/336262273.db2.gz YJEVREJNNXGUMB-UHFFFAOYSA-N -1 1 318.376 3.745 20 0 DHADMM Cc1csc([C@@H](C)[N-]c2nc(-c3ccc(C)cc3)no2)n1 ZINC000302059427 336346096 /nfs/dbraw/zinc/34/60/96/336346096.db2.gz QUORRNCEVFXICI-LLVKDONJSA-N -1 1 300.387 3.983 20 0 DHADMM CC(C)n1ncc(C(=O)Nc2ccc([O-])c(Cl)c2)c1C1CC1 ZINC000357364716 336582496 /nfs/dbraw/zinc/58/24/96/336582496.db2.gz WWRFODGACCBYPY-UHFFFAOYSA-N -1 1 319.792 3.953 20 0 DHADMM CCO[C@H](CC(=O)Nc1ccc([O-])c(Cl)c1)C1=CCCC1 ZINC000357373587 336582853 /nfs/dbraw/zinc/58/28/53/336582853.db2.gz LGEJOBMJVHHPFQ-OAHLLOKOSA-N -1 1 309.793 3.890 20 0 DHADMM CCOc1cc(C(=O)N2CCC(C)(C)CC2)cc(Cl)c1[O-] ZINC000357978227 336604943 /nfs/dbraw/zinc/60/49/43/336604943.db2.gz ADZKFJBMQJMMIK-UHFFFAOYSA-N -1 1 311.809 3.707 20 0 DHADMM Cc1cnc(C(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)c([O-])c1 ZINC000358606863 336636592 /nfs/dbraw/zinc/63/65/92/336636592.db2.gz XBCREWZTGXFYSR-AWEZNQCLSA-N -1 1 310.397 3.537 20 0 DHADMM Cc1cnc(C(=O)N(C)Cc2ccc3ccccc3c2)c([O-])c1 ZINC000358747782 336641701 /nfs/dbraw/zinc/64/17/01/336641701.db2.gz XQBVWZOMOBSODZ-UHFFFAOYSA-N -1 1 306.365 3.521 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@@H](c2ccco2)C1 ZINC000369240276 336861153 /nfs/dbraw/zinc/86/11/53/336861153.db2.gz VRYLBNIROAAHJW-CQSZACIVSA-N -1 1 307.349 3.768 20 0 DHADMM Cc1cc([C@H]2CCN(C(=O)c3ccc([O-])cc3F)C2)cs1 ZINC000375392547 337010125 /nfs/dbraw/zinc/01/01/25/337010125.db2.gz RMBGDEPQOJIGSK-NSHDSACASA-N -1 1 305.374 3.531 20 0 DHADMM CCOc1cc(C(=O)N2CCC3(CCC3)CC2)cc(Cl)c1[O-] ZINC000376419813 337033133 /nfs/dbraw/zinc/03/31/33/337033133.db2.gz IHEUEBRUCCOBMV-UHFFFAOYSA-N -1 1 323.820 3.851 20 0 DHADMM Cc1csc(C2CC[NH+](Cc3cc(O)cc(F)c3)CC2)n1 ZINC000186205619 337254717 /nfs/dbraw/zinc/25/47/17/337254717.db2.gz BCBHIHPGZFFWFD-UHFFFAOYSA-N -1 1 306.406 3.676 20 0 DHADMM CCOc1cc(C(=O)N2CC[C@@H](C)[C@@H]2CC)cc(Cl)c1[O-] ZINC000187404445 337265717 /nfs/dbraw/zinc/26/57/17/337265717.db2.gz IHVGBXIWKWJMPD-MFKMUULPSA-N -1 1 311.809 3.705 20 0 DHADMM O=S(=O)(Cc1c(Cl)cccc1Cl)c1ccc([O-])cc1 ZINC000049488992 337438735 /nfs/dbraw/zinc/43/87/35/337438735.db2.gz IBHQKJNFYAJFAR-UHFFFAOYSA-N -1 1 317.193 3.673 20 0 DHADMM Cn1ccc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc21 ZINC000525956863 337461135 /nfs/dbraw/zinc/46/11/35/337461135.db2.gz GSUZVECEHLKXJA-UHFFFAOYSA-N -1 1 320.801 3.633 20 0 DHADMM CCC(CC)(CN[C@@H](CCc1ccccc1)C(F)F)C(=O)[O-] ZINC000263062152 337623859 /nfs/dbraw/zinc/62/38/59/337623859.db2.gz MYGMKXGIKOJOMG-AWEZNQCLSA-N -1 1 313.388 3.734 20 0 DHADMM O=C([O-])c1ccc(CN[C@H]2CCCOc3ccc(F)cc32)cc1 ZINC000263490455 337630461 /nfs/dbraw/zinc/63/04/61/337630461.db2.gz QYGWKMRKMRIFLZ-INIZCTEOSA-N -1 1 315.344 3.527 20 0 DHADMM [O-]c1ccc(-c2noc(/C=C/c3ccc(F)cc3)n2)c(F)c1 ZINC000445464868 337787282 /nfs/dbraw/zinc/78/72/82/337787282.db2.gz VVRLWEBWXQOQMO-FPYGCLRLSA-N -1 1 300.264 3.891 20 0 DHADMM Cc1cccc([C@@H]2CCCN2C(=O)c2ccc(Cl)cc2[O-])n1 ZINC000092759315 337908082 /nfs/dbraw/zinc/90/80/82/337908082.db2.gz RHXRKXCEQVCVNI-HNNXBMFYSA-N -1 1 316.788 3.726 20 0 DHADMM Cc1cc(C)n([C@@H](C)c2nc(-c3ccc([O-])cc3Cl)no2)n1 ZINC000445450721 338015517 /nfs/dbraw/zinc/01/55/17/338015517.db2.gz VPLDDYHDJDXFAP-JTQLQIEISA-N -1 1 318.764 3.518 20 0 DHADMM [O-]c1ccc(-c2noc(CSc3ccc(O)cc3)n2)c(F)c1 ZINC000445455410 338017358 /nfs/dbraw/zinc/01/73/58/338017358.db2.gz JYSZZQHKUPRLNI-UHFFFAOYSA-N -1 1 318.329 3.579 20 0 DHADMM CCO[C@@H](Cc1nc(-c2ccc([O-])cc2F)no1)C1=CCCC1 ZINC000445459470 338018448 /nfs/dbraw/zinc/01/84/48/338018448.db2.gz BLKVYKABLTUXSE-HNNXBMFYSA-N -1 1 318.348 3.639 20 0 DHADMM [O-]c1ccc(-c2noc(CCCOc3ccccc3)n2)c(F)c1 ZINC000445461608 338023003 /nfs/dbraw/zinc/02/30/03/338023003.db2.gz YKEOGDSAXUVVGW-UHFFFAOYSA-N -1 1 314.316 3.593 20 0 DHADMM Cc1ccc([C@@H](NCc2ccc(F)cc2Cl)C(=O)[O-])cc1 ZINC000426677286 338037871 /nfs/dbraw/zinc/03/78/71/338037871.db2.gz LBJZGBNUTZELAW-OAHLLOKOSA-N -1 1 307.752 3.703 20 0 DHADMM O=C([O-])[C@H](Cc1ccccc1)NCc1ccc(-c2ccccc2)o1 ZINC000426688781 338038197 /nfs/dbraw/zinc/03/81/97/338038197.db2.gz SCRMTZMINKGNHA-SFHVURJKSA-N -1 1 321.376 3.732 20 0 DHADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C)nc2)cc1 ZINC000431338627 338128515 /nfs/dbraw/zinc/12/85/15/338128515.db2.gz PIGXDHKLYCHZQF-LBPRGKRZSA-N -1 1 304.415 3.704 20 0 DHADMM CC(C)(C)C(C)(C)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000431604192 338134547 /nfs/dbraw/zinc/13/45/47/338134547.db2.gz MDZRLPSWPJKIPU-UHFFFAOYSA-N -1 1 307.818 3.582 20 0 DHADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2cc[nH]c2c1 ZINC000432644464 338161598 /nfs/dbraw/zinc/16/15/98/338161598.db2.gz SQFLKHJTAVQFCV-UHFFFAOYSA-N -1 1 320.801 3.931 20 0 DHADMM COC(=O)c1c[n-]c(S[C@H]2CCc3ccc(Cl)cc32)n1 ZINC000432671918 338162120 /nfs/dbraw/zinc/16/21/20/338162120.db2.gz XCGUFGPKXQZPFY-LBPRGKRZSA-N -1 1 308.790 3.629 20 0 DHADMM COC(=O)c1c[n-]c(SCCCc2ccccc2Cl)n1 ZINC000432673056 338162134 /nfs/dbraw/zinc/16/21/34/338162134.db2.gz UQPADIMMQBSXBS-UHFFFAOYSA-N -1 1 310.806 3.575 20 0 DHADMM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1cccs1 ZINC000433170850 338183925 /nfs/dbraw/zinc/18/39/25/338183925.db2.gz ZYIWFXLNURKZCS-UHFFFAOYSA-N -1 1 305.783 3.650 20 0 DHADMM CCc1cccc(S(=O)(=O)[N-]c2c(C)cccc2CC)c1 ZINC000433807249 338202475 /nfs/dbraw/zinc/20/24/75/338202475.db2.gz FAPLEIOUDLJALI-UHFFFAOYSA-N -1 1 303.427 3.921 20 0 DHADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000436009148 338255685 /nfs/dbraw/zinc/25/56/85/338255685.db2.gz UAZQQNKQLPPRJP-UHFFFAOYSA-N -1 1 313.831 3.863 20 0 DHADMM CC(C)[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1cccnc1 ZINC000436148701 338259573 /nfs/dbraw/zinc/25/95/73/338259573.db2.gz PRSWTBYQXXVFLO-HNNXBMFYSA-N -1 1 304.777 3.819 20 0 DHADMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000436161294 338260047 /nfs/dbraw/zinc/26/00/47/338260047.db2.gz KKMODKLLGIRUNG-UHFFFAOYSA-N -1 1 318.373 3.725 20 0 DHADMM O=C(Nc1ccc2[nH]cnc2c1)c1ccc2ccccc2c1[O-] ZINC000436538023 338275911 /nfs/dbraw/zinc/27/59/11/338275911.db2.gz ZWHRVABJXUXLBM-UHFFFAOYSA-N -1 1 303.321 3.674 20 0 DHADMM CCc1nc([C@@H](C)NC(=O)c2ccc(Cl)cc2[O-])cs1 ZINC000436547559 338276440 /nfs/dbraw/zinc/27/64/40/338276440.db2.gz RLUNPWZGHITQKY-MRVPVSSYSA-N -1 1 310.806 3.556 20 0 DHADMM CCC[C@@H]1SCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436547040 338276477 /nfs/dbraw/zinc/27/64/77/338276477.db2.gz ITWMTNVNFIDTDG-HNNXBMFYSA-N -1 1 301.411 3.861 20 0 DHADMM CCC(CC)c1cc(CNC(=O)c2ccc(Cl)cc2[O-])on1 ZINC000436551906 338276671 /nfs/dbraw/zinc/27/66/71/338276671.db2.gz BIGRBBOXPSKBAT-UHFFFAOYSA-N -1 1 322.792 3.867 20 0 DHADMM CCC[C@H]1SCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000436550062 338276733 /nfs/dbraw/zinc/27/67/33/338276733.db2.gz WBGZPJRUHXQZEX-MRXNPFEDSA-N -1 1 301.411 3.861 20 0 DHADMM O=C(Nc1ccc(Oc2ccccn2)cc1)c1ccccc1[O-] ZINC000436552957 338276813 /nfs/dbraw/zinc/27/68/13/338276813.db2.gz YKNSWJJITASUPP-UHFFFAOYSA-N -1 1 306.321 3.832 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H](Cc2ccccc2)C1 ZINC000436556825 338276926 /nfs/dbraw/zinc/27/69/26/338276926.db2.gz REIFXTSTSLNSPN-HNNXBMFYSA-N -1 1 313.372 3.626 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@@H](c2cccc(F)c2)C1 ZINC000436563353 338277274 /nfs/dbraw/zinc/27/72/74/338277274.db2.gz CVESTDWTKSLHHM-GFCCVEGCSA-N -1 1 319.763 3.814 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@H](c2cccc(F)c2)C1 ZINC000436569559 338277676 /nfs/dbraw/zinc/27/76/76/338277676.db2.gz GBLFZIDLRGHOQS-GFCCVEGCSA-N -1 1 319.763 3.814 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H]1Cc1ccccc1 ZINC000436576923 338277951 /nfs/dbraw/zinc/27/79/51/338277951.db2.gz NHZLELIPRLTHTM-AWEZNQCLSA-N -1 1 301.773 3.503 20 0 DHADMM CC(C)[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CCS1 ZINC000436577267 338278019 /nfs/dbraw/zinc/27/80/19/338278019.db2.gz STCKWPOCWYJVAL-INIZCTEOSA-N -1 1 315.438 3.759 20 0 DHADMM COc1ccc(C(=O)N2CCCCCc3ccccc32)c([O-])c1 ZINC000436583891 338278435 /nfs/dbraw/zinc/27/84/35/338278435.db2.gz KZOBNZYHBLRKTQ-UHFFFAOYSA-N -1 1 311.381 3.774 20 0 DHADMM CCOc1cc(Cl)ccc1NC(=O)c1cc(F)ccc1[O-] ZINC000436587606 338278506 /nfs/dbraw/zinc/27/85/06/338278506.db2.gz PRDMBYQFDQMPBY-UHFFFAOYSA-N -1 1 309.724 3.836 20 0 DHADMM O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cc(F)ccc1[O-] ZINC000436584922 338278644 /nfs/dbraw/zinc/27/86/44/338278644.db2.gz KHXOOAWABQMPKP-ZJUUUORDSA-N -1 1 319.298 3.630 20 0 DHADMM CCCCn1ncc(NC(=O)c2ccccc2[O-])c1C(C)C ZINC000436593336 338279067 /nfs/dbraw/zinc/27/90/67/338279067.db2.gz DJEGRKPAYPRQNA-UHFFFAOYSA-N -1 1 301.390 3.765 20 0 DHADMM CC(C)c1ccc(C(=O)N(C)c2ccc3c(c2)OCO3)c([O-])c1 ZINC000436606749 338279568 /nfs/dbraw/zinc/27/95/68/338279568.db2.gz MUDALPGMVJTTGP-UHFFFAOYSA-N -1 1 313.353 3.521 20 0 DHADMM C[C@H](Cc1ccc(O)cc1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000436607936 338279834 /nfs/dbraw/zinc/27/98/34/338279834.db2.gz SUHAPXFCCKFHAH-CYBMUJFWSA-N -1 1 321.376 3.612 20 0 DHADMM Cc1ccccc1[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000436622215 338280335 /nfs/dbraw/zinc/28/03/35/338280335.db2.gz CVUIWUUVRDVJQK-CYBMUJFWSA-N -1 1 315.800 3.984 20 0 DHADMM Cc1ccccc1[C@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000436623681 338280486 /nfs/dbraw/zinc/28/04/86/338280486.db2.gz ITPBRYUBYMNYJB-ZDUSSCGKSA-N -1 1 315.800 3.984 20 0 DHADMM CCCNc1ccc(Cl)cc1NC(=O)c1ccc(O)cc1[O-] ZINC000436631581 338280600 /nfs/dbraw/zinc/28/06/00/338280600.db2.gz VNOCAHCTGCDACA-UHFFFAOYSA-N -1 1 320.776 3.825 20 0 DHADMM C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000436656402 338281945 /nfs/dbraw/zinc/28/19/45/338281945.db2.gz IPAISFKTHWLLKU-KDOFPFPSSA-N -1 1 323.392 3.575 20 0 DHADMM [O-]c1ccc(-c2nc(-c3cccc4cnccc43)no2)c(F)c1 ZINC000436687384 338282888 /nfs/dbraw/zinc/28/28/88/338282888.db2.gz HZPCMVXKFLFCED-UHFFFAOYSA-N -1 1 307.284 3.797 20 0 DHADMM CC(C)Oc1ccc(Cl)cc1NC(=O)c1ccc(O)cc1[O-] ZINC000436698772 338283367 /nfs/dbraw/zinc/28/33/67/338283367.db2.gz NJWWFOJIHMROPK-UHFFFAOYSA-N -1 1 321.760 3.791 20 0 DHADMM O=C(Nc1ccc(F)cc1OCC1CC1)c1ccccc1[O-] ZINC000436718248 338284016 /nfs/dbraw/zinc/28/40/16/338284016.db2.gz JTSMLMHXBMTTMO-UHFFFAOYSA-N -1 1 301.317 3.572 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1CCC=C(c2ccccc2)C1 ZINC000436722367 338284137 /nfs/dbraw/zinc/28/41/37/338284137.db2.gz IVTIHWRNYIUBSO-UHFFFAOYSA-N -1 1 313.784 3.975 20 0 DHADMM COc1ccc(C(=O)Nc2cc(C)cc3cccnc32)c([O-])c1 ZINC000436727830 338284474 /nfs/dbraw/zinc/28/44/74/338284474.db2.gz DBUJPCPSSMBDDF-UHFFFAOYSA-N -1 1 308.337 3.510 20 0 DHADMM O=C(Nc1ccccc1-c1ccccc1)C(=O)c1ccc([O-])cc1 ZINC000436736760 338284931 /nfs/dbraw/zinc/28/49/31/338284931.db2.gz OXPFOEDVBPURRB-UHFFFAOYSA-N -1 1 317.344 3.881 20 0 DHADMM CC[C@@H](C)CN(CC)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436751712 338285381 /nfs/dbraw/zinc/28/53/81/338285381.db2.gz NHIIZBDAJYPHJP-SNVBAGLBSA-N -1 1 303.324 3.919 20 0 DHADMM C[C@H]1CCCCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436749640 338285431 /nfs/dbraw/zinc/28/54/31/338285431.db2.gz BLSVFCJJWASVTF-JTQLQIEISA-N -1 1 301.308 3.816 20 0 DHADMM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000436752842 338285636 /nfs/dbraw/zinc/28/56/36/338285636.db2.gz YTGVHWIBLAFDLE-INIZCTEOSA-N -1 1 317.360 3.763 20 0 DHADMM O=C(NCc1nccc2ccccc21)c1ccc(Cl)cc1[O-] ZINC000436758714 338285953 /nfs/dbraw/zinc/28/59/53/338285953.db2.gz NRRRJKSPKCEHLW-UHFFFAOYSA-N -1 1 312.756 3.524 20 0 DHADMM COc1ccc(C)cc1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436762887 338286148 /nfs/dbraw/zinc/28/61/48/338286148.db2.gz DQGDFVZWWSWJDN-UHFFFAOYSA-N -1 1 321.760 3.624 20 0 DHADMM CN(CC1CCCC1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436764547 338286427 /nfs/dbraw/zinc/28/64/27/338286427.db2.gz RYXBCMGTHDNVSV-UHFFFAOYSA-N -1 1 301.308 3.673 20 0 DHADMM O=C(N[C@H]1C[C@@H]1c1c(F)cccc1F)c1cc(Cl)ccc1[O-] ZINC000436798796 338287793 /nfs/dbraw/zinc/28/77/93/338287793.db2.gz VNSRTQMTDGSQIN-ZANVPECISA-N -1 1 323.726 3.610 20 0 DHADMM CCc1ccc(C(=O)N2C[C@@H](C)Oc3cc(F)ccc32)c([O-])c1 ZINC000436834146 338289163 /nfs/dbraw/zinc/28/91/63/338289163.db2.gz NSVMDFMPHALRRR-LLVKDONJSA-N -1 1 315.344 3.521 20 0 DHADMM C[C@@H]1CC[C@H](N(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000436879567 338291466 /nfs/dbraw/zinc/29/14/66/338291466.db2.gz XNAACXRUIHDCOS-KOLCDFICSA-N -1 1 301.308 3.672 20 0 DHADMM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccc([O-])cc1F ZINC000436881974 338291602 /nfs/dbraw/zinc/29/16/02/338291602.db2.gz WIPRLHLWIOWUBI-BMLIUANNSA-N -1 1 317.335 3.724 20 0 DHADMM CN(Cc1cc(Cl)ccc1F)C(=O)c1cc(F)ccc1[O-] ZINC000436899206 338292699 /nfs/dbraw/zinc/29/26/99/338292699.db2.gz CEJCFELWFHLGMR-UHFFFAOYSA-N -1 1 311.715 3.596 20 0 DHADMM CC(C)c1ccc(C(=O)N2CCc3c2c(F)ccc3F)c([O-])c1 ZINC000436904553 338292848 /nfs/dbraw/zinc/29/28/48/338292848.db2.gz LTLBWYSHKMFMFC-UHFFFAOYSA-N -1 1 317.335 3.997 20 0 DHADMM O=C(N[C@H]1CCc2sc(Cl)cc21)c1c([O-])cccc1F ZINC000436926305 338293885 /nfs/dbraw/zinc/29/38/85/338293885.db2.gz JLZKRIFLRLAZCL-VIFPVBQESA-N -1 1 311.765 3.664 20 0 DHADMM CC(C)C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1cccs1 ZINC000436930435 338293951 /nfs/dbraw/zinc/29/39/51/338293951.db2.gz HVNWGCCOHMTLLX-CQSZACIVSA-N -1 1 317.410 3.540 20 0 DHADMM COc1ccc(C(=O)Nc2ccc(OC(C)C)c(C)c2)c([O-])c1 ZINC000436933491 338294146 /nfs/dbraw/zinc/29/41/46/338294146.db2.gz UHVGYSJHDZQZCP-UHFFFAOYSA-N -1 1 315.369 3.749 20 0 DHADMM Cc1cccc2[nH]cc(Cc3noc(-c4cc(F)ccc4[O-])n3)c21 ZINC000436931800 338294177 /nfs/dbraw/zinc/29/41/77/338294177.db2.gz KUOUSSCXJASJNI-UHFFFAOYSA-N -1 1 323.327 3.962 20 0 DHADMM O=C(NCc1csc2ccccc12)c1c([O-])cccc1F ZINC000436944373 338295089 /nfs/dbraw/zinc/29/50/89/338295089.db2.gz MFRYEKNWSKSVLS-UHFFFAOYSA-N -1 1 301.342 3.676 20 0 DHADMM CC(F)(F)c1ccc(CNC(=O)c2c([O-])cccc2F)cc1 ZINC000436950826 338295483 /nfs/dbraw/zinc/29/54/83/338295483.db2.gz WCSHPIAUHAMFTO-UHFFFAOYSA-N -1 1 309.287 3.573 20 0 DHADMM C[C@H]1CC2(CCC2)CN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436953970 338295775 /nfs/dbraw/zinc/29/57/75/338295775.db2.gz TWOJWJQIVHGHRD-JTQLQIEISA-N -1 1 313.319 3.816 20 0 DHADMM C[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1(C)C ZINC000436957391 338295888 /nfs/dbraw/zinc/29/58/88/338295888.db2.gz XKIHRHZHBUUMFZ-JTQLQIEISA-N -1 1 315.335 3.919 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC2(C1)CCCCC2 ZINC000436985333 338296751 /nfs/dbraw/zinc/29/67/51/338296751.db2.gz ONJAERGLSHJPKN-UHFFFAOYSA-N -1 1 313.319 3.817 20 0 DHADMM C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000436991335 338297037 /nfs/dbraw/zinc/29/70/37/338297037.db2.gz SLSWXRNAPSBWLN-GMTAPVOTSA-N -1 1 315.335 3.918 20 0 DHADMM O=C(Nc1cccc(NC2CCCC2)c1)C(=O)c1ccc([O-])cc1 ZINC000438921470 338356077 /nfs/dbraw/zinc/35/60/77/338356077.db2.gz WZKKTFZLJWELML-UHFFFAOYSA-N -1 1 324.380 3.568 20 0 DHADMM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1cc(F)ccc1[O-] ZINC000439052975 338359747 /nfs/dbraw/zinc/35/97/47/338359747.db2.gz FAZJVTORXPJCAC-GHMZBOCLSA-N -1 1 317.335 3.818 20 0 DHADMM CC[C@@H](C)[C@H](NC(=O)c1cncc([O-])c1)c1ccc(Cl)cc1 ZINC000440036219 338382737 /nfs/dbraw/zinc/38/27/37/338382737.db2.gz AHXRXQWESRECQP-BZNIZROVSA-N -1 1 318.804 3.958 20 0 DHADMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccs2)c1C ZINC000446971654 338542121 /nfs/dbraw/zinc/54/21/21/338542121.db2.gz GVMKEWOPDKIHRZ-UHFFFAOYSA-N -1 1 301.820 3.819 20 0 DHADMM COc1cc(C)cc([N-]S(=O)(=O)c2cccc(F)c2C)c1C ZINC000447278514 338547991 /nfs/dbraw/zinc/54/79/91/338547991.db2.gz NZWKACZLBLPBEY-UHFFFAOYSA-N -1 1 323.389 3.560 20 0 DHADMM CC[C@H](CC(C)C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000449803834 338654142 /nfs/dbraw/zinc/65/41/42/338654142.db2.gz PKRCAEHUZGWVSH-GFCCVEGCSA-N -1 1 301.390 3.793 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000456791132 338940990 /nfs/dbraw/zinc/94/09/90/338940990.db2.gz XJTRVCBHOZFVEC-KPZWWZAWSA-N -1 1 315.319 3.513 20 0 DHADMM CC(C)Cc1nc(C(=O)Nc2ccc([O-])c(F)c2F)cs1 ZINC000456794432 338941108 /nfs/dbraw/zinc/94/11/08/338941108.db2.gz PEFHEWPZYPEQQV-UHFFFAOYSA-N -1 1 312.341 3.578 20 0 DHADMM C[C@@H]1CC[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)[C@H](c2ccco2)C1 ZINC000459370114 339025208 /nfs/dbraw/zinc/02/52/08/339025208.db2.gz WXMZPZVOGYGHFT-DOMZBBRYSA-N -1 1 313.401 3.626 20 0 DHADMM C[C@@H](NCc1cccc([O-])c1Cl)c1nc2c(s1)CCC2 ZINC000459650895 339040523 /nfs/dbraw/zinc/04/05/23/339040523.db2.gz OIBIPXLJHFPIAX-SECBINFHSA-N -1 1 308.834 3.842 20 0 DHADMM CC[C@H]1CCC[C@@H]1Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000465053611 339166992 /nfs/dbraw/zinc/16/69/92/339166992.db2.gz UPRPENWZUNOMMQ-ZFWWWQNUSA-N -1 1 312.417 3.852 20 0 DHADMM O=C(CCCc1ccc(O)c(F)c1)Nc1ccc([O-])c(Cl)c1 ZINC000469079766 339279625 /nfs/dbraw/zinc/27/96/25/339279625.db2.gz XBRBMBKZCDQEDG-UHFFFAOYSA-N -1 1 323.751 3.852 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)cc1F ZINC000477428771 339494552 /nfs/dbraw/zinc/49/45/52/339494552.db2.gz PSSCYQZMDRYMTM-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM COc1cc([N-]S(=O)(=O)c2ccc(F)c(C)c2)c(C)cc1C ZINC000478699214 339520891 /nfs/dbraw/zinc/52/08/91/339520891.db2.gz DIXCZBRSZDXECT-UHFFFAOYSA-N -1 1 323.389 3.560 20 0 DHADMM CCOc1cc(C(=O)NC(C)(C)C(C)(C)C)cc(Cl)c1[O-] ZINC000480721082 339584797 /nfs/dbraw/zinc/58/47/97/339584797.db2.gz VOLJYCMGZTXTTJ-UHFFFAOYSA-N -1 1 313.825 3.999 20 0 DHADMM Cc1c(NC(=O)Nc2ccc([O-])c(Cl)c2)cnn1CC(C)C ZINC000487239456 339747247 /nfs/dbraw/zinc/74/72/47/339747247.db2.gz DQUCIWYKIHFMBY-UHFFFAOYSA-N -1 1 322.796 3.851 20 0 DHADMM Cc1ccc(-c2cc(C(=O)N3CCCCc4ccccc43)[nH]n2)o1 ZINC000502677700 340110096 /nfs/dbraw/zinc/11/00/96/340110096.db2.gz WCNFWJLWTXMKIV-UHFFFAOYSA-N -1 1 321.380 3.961 20 0 DHADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cc(O)cc(F)c1 ZINC000504286789 340144361 /nfs/dbraw/zinc/14/43/61/340144361.db2.gz UYYVAZZJWKNKFU-UHFFFAOYSA-N -1 1 323.389 3.630 20 0 DHADMM CN(C[C@H]1CC=CCC1)C(=O)c1cc(Br)ccc1[O-] ZINC000402762600 340263634 /nfs/dbraw/zinc/26/36/34/340263634.db2.gz KMJFMUULJWVZSI-NSHDSACASA-N -1 1 324.218 3.583 20 0 DHADMM CS[C@H]1CCC[C@H](NC(=O)c2cc3ccccc3cc2[O-])C1 ZINC000303661711 340340939 /nfs/dbraw/zinc/34/09/39/340340939.db2.gz HNWXGKGWPIEWLV-GJZGRUSLSA-N -1 1 315.438 3.949 20 0 DHADMM CCCN(Cc1cccc([O-])c1Cl)[C@H](CC)C(=O)OCC ZINC000513189391 340396205 /nfs/dbraw/zinc/39/62/05/340396205.db2.gz XMYDSMUAPASXRA-CYBMUJFWSA-N -1 1 313.825 3.599 20 0 DHADMM C[C@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccs1 ZINC000523426526 340623711 /nfs/dbraw/zinc/62/37/11/340623711.db2.gz PNPRHALQXZKXIE-JTQLQIEISA-N -1 1 313.382 3.586 20 0 DHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)[C@@H]1C[C@@]12CCOC2 ZINC000529539086 340761011 /nfs/dbraw/zinc/76/10/11/340761011.db2.gz PKBCJYLXLHRPMF-YVEFUNNKSA-N -1 1 317.772 3.564 20 0 DHADMM O=C(NCC[C@@H]1CC=CCC1)c1ccc(Br)c([O-])c1 ZINC000529868803 340772493 /nfs/dbraw/zinc/77/24/93/340772493.db2.gz PJBXLSDXIGWOCC-LLVKDONJSA-N -1 1 324.218 3.631 20 0 DHADMM CC1(C)CCc2cccc(NC(=O)c3ccc([O-])cc3F)c2O1 ZINC000530044162 340778541 /nfs/dbraw/zinc/77/85/41/340778541.db2.gz WKUCQQIESXPQFN-UHFFFAOYSA-N -1 1 315.344 3.887 20 0 DHADMM CC(C)CCc1nc(CN2[C@@H](C)CC(C(=O)[O-])C[C@@H]2C)cs1 ZINC000530172816 340781370 /nfs/dbraw/zinc/78/13/70/340781370.db2.gz AVCALVJEYKBRPF-STQMWFEESA-N -1 1 324.490 3.805 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@H](Cc2ccccc2)C1 ZINC000126165337 340823433 /nfs/dbraw/zinc/82/34/33/340823433.db2.gz NRBFSKHMVGYPCC-CQSZACIVSA-N -1 1 315.800 3.750 20 0 DHADMM Cc1cccc(O[C@@H](C)C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000129638097 340978000 /nfs/dbraw/zinc/97/80/00/340978000.db2.gz ZRFIANJHQDILCS-NSHDSACASA-N -1 1 305.761 3.760 20 0 DHADMM CC[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1c(C)noc1C ZINC000129689168 340980924 /nfs/dbraw/zinc/98/09/24/340980924.db2.gz HWDFNXBQGLYRLA-LBPRGKRZSA-N -1 1 308.765 3.532 20 0 DHADMM Cc1ccc(Oc2ccccc2)c([N-]S(=O)(=O)C2CC2)c1 ZINC000545124521 341109481 /nfs/dbraw/zinc/10/94/81/341109481.db2.gz WDUQXHNPIHSVLD-UHFFFAOYSA-N -1 1 303.383 3.691 20 0 DHADMM CN(CCc1cccs1)C(=O)c1cc2ccccc2cc1[O-] ZINC000075201232 341171436 /nfs/dbraw/zinc/17/14/36/341171436.db2.gz JROGFKUXLQEZSC-UHFFFAOYSA-N -1 1 311.406 3.922 20 0 DHADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000135392083 341238514 /nfs/dbraw/zinc/23/85/14/341238514.db2.gz PEFBDPHZIQEQSZ-UHFFFAOYSA-N -1 1 317.410 3.697 20 0 DHADMM Cc1cnc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)c([O-])c1 ZINC000548634019 341268057 /nfs/dbraw/zinc/26/80/57/341268057.db2.gz DOAHVDPGGXVJSU-HNNXBMFYSA-N -1 1 314.360 3.602 20 0 DHADMM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2cc(F)ccc2[O-])C1 ZINC000080029370 341268808 /nfs/dbraw/zinc/26/88/08/341268808.db2.gz AICRTSXXZIALHB-KGLIPLIRSA-N -1 1 313.372 3.858 20 0 DHADMM O=C([N-]c1nnc(C2CC2)s1)c1coc(C2CCCCC2)n1 ZINC000549159104 341287538 /nfs/dbraw/zinc/28/75/38/341287538.db2.gz QUQLIVRSUZWXNG-UHFFFAOYSA-N -1 1 318.402 3.704 20 0 DHADMM C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000087761595 341395108 /nfs/dbraw/zinc/39/51/08/341395108.db2.gz JERCZZIPSDBBNH-AWEZNQCLSA-N -1 1 302.201 3.680 20 0 DHADMM C[C@]1(C(=O)[O-])CCCN(Cc2cc(Cl)ccc2Cl)C1 ZINC000087761595 341395109 /nfs/dbraw/zinc/39/51/09/341395109.db2.gz JERCZZIPSDBBNH-AWEZNQCLSA-N -1 1 302.201 3.680 20 0 DHADMM CC1(C)CCCC[C@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000564811653 341510397 /nfs/dbraw/zinc/51/03/97/341510397.db2.gz QDLNQRDTHPWGRI-AWEZNQCLSA-N -1 1 313.401 3.937 20 0 DHADMM COc1cc(C(=O)N2C[C@@H](C)c3ccccc32)cc(Cl)c1[O-] ZINC000153589647 341575467 /nfs/dbraw/zinc/57/54/67/341575467.db2.gz LFJPEDJKIMTHQD-SNVBAGLBSA-N -1 1 317.772 3.818 20 0 DHADMM [O-]c1ccc(-c2nc3cc(Cl)cnc3[nH]2)cc1Br ZINC000154709501 341595056 /nfs/dbraw/zinc/59/50/56/341595056.db2.gz XVJOPXKIQYKRDN-UHFFFAOYSA-N -1 1 324.565 3.746 20 0 DHADMM O=C(NCCc1cccc2ccccc21)c1ccc([O-])cc1F ZINC000154869061 341597184 /nfs/dbraw/zinc/59/71/84/341597184.db2.gz ZAFJQZFXUYKXDO-UHFFFAOYSA-N -1 1 309.340 3.657 20 0 DHADMM O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc([O-])cc1F ZINC000272198329 341626603 /nfs/dbraw/zinc/62/66/03/341626603.db2.gz GXXOALRWWBXTKW-UHFFFAOYSA-N -1 1 314.360 3.774 20 0 DHADMM CC(=O)N(C)c1cccc(NCc2cccc([O-])c2Cl)c1 ZINC000339289292 519458366 /nfs/dbraw/zinc/45/83/66/519458366.db2.gz DFJJPKIPLQOKQF-UHFFFAOYSA-N -1 1 304.777 3.640 20 0 DHADMM CCc1nc(C)c([N-]S(=O)(=O)Cc2cc(C)cc(C)c2)s1 ZINC000337142798 522216651 /nfs/dbraw/zinc/21/66/51/522216651.db2.gz UMUMTSNLVUOGAV-UHFFFAOYSA-N -1 1 324.471 3.573 20 0 DHADMM CC[C@@H](SC)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182913061 523073136 /nfs/dbraw/zinc/07/31/36/523073136.db2.gz GTYWALNJNVGWOL-SNVBAGLBSA-N -1 1 318.236 3.543 20 0 DHADMM CN(Cc1n[nH]c(=O)[n-]1)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000337270450 523555979 /nfs/dbraw/zinc/55/59/79/523555979.db2.gz MSBXBXXOAWHRSB-HNNXBMFYSA-N -1 1 320.824 3.527 20 0 DHADMM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2ncccc2[O-])cc1 ZINC000364252596 526016129 /nfs/dbraw/zinc/01/61/29/526016129.db2.gz ONOKQJKRSCOYFM-HZPDHXFCSA-N -1 1 310.397 3.504 20 0 DHADMM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1cncc([O-])c1 ZINC000264904194 526073688 /nfs/dbraw/zinc/07/36/88/526073688.db2.gz XRHFOHUJTTZFBF-SNVBAGLBSA-N -1 1 324.302 3.639 20 0 DHADMM O=C(c1c(F)ccc([O-])c1F)N1CCC=C(c2ccccc2)C1 ZINC000367653199 526577076 /nfs/dbraw/zinc/57/70/76/526577076.db2.gz MBVKOSYXWUFDBQ-UHFFFAOYSA-N -1 1 315.319 3.600 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H]1c1nccs1 ZINC000364256011 526639918 /nfs/dbraw/zinc/63/99/18/526639918.db2.gz STNLMUAVKRWDHS-HNNXBMFYSA-N -1 1 324.405 3.979 20 0 DHADMM CCOc1cc(C(=O)N2CCC[C@@H]2C(C)C)cc(Cl)c1[O-] ZINC000273946519 535663209 /nfs/dbraw/zinc/66/32/09/535663209.db2.gz LKVYBOYFWOHLOW-CYBMUJFWSA-N -1 1 311.809 3.705 20 0 DHADMM CC[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC000737784108 597208307 /nfs/dbraw/zinc/20/83/07/597208307.db2.gz QGZKCYXTAVYVJN-INIZCTEOSA-N -1 1 305.324 3.904 20 0 DHADMM C[C@H](CCC(C)(C)C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000735985977 599442862 /nfs/dbraw/zinc/44/28/62/599442862.db2.gz OPAHXGJPQJNIOP-SECBINFHSA-N -1 1 308.817 3.542 20 0 DHADMM C[C@H](CCC(C)(C)C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000735985977 599442860 /nfs/dbraw/zinc/44/28/60/599442860.db2.gz OPAHXGJPQJNIOP-SECBINFHSA-N -1 1 308.817 3.542 20 0 DHADMM O=C([O-])c1ccc(CNC2(c3ccc(Cl)cc3)CCC2)o1 ZINC000740130897 599794048 /nfs/dbraw/zinc/79/40/48/599794048.db2.gz ZKOSONSOXUMGND-UHFFFAOYSA-N -1 1 305.761 3.800 20 0 DHADMM CCOc1ccc2nc(SCc3cc(C(=O)[O-])co3)[nH]c2c1 ZINC000315469858 599802931 /nfs/dbraw/zinc/80/29/31/599802931.db2.gz QYQXHRNGUJKKCQ-UHFFFAOYSA-N -1 1 318.354 3.545 20 0 DHADMM CN(CCCOc1cccc(Cl)c1)Cc1cc(C(=O)[O-])co1 ZINC000580897351 599848295 /nfs/dbraw/zinc/84/82/95/599848295.db2.gz LWZOVDBDLZCZMK-UHFFFAOYSA-N -1 1 323.776 3.532 20 0 DHADMM C[C@@H](CN(Cc1csc(-c2cccs2)n1)C1CC1)C(=O)[O-] ZINC000574094028 599950212 /nfs/dbraw/zinc/95/02/12/599950212.db2.gz XSASSBUBOYQBEI-JTQLQIEISA-N -1 1 322.455 3.557 20 0 DHADMM O=C([O-])[C@@H]1CC12CCN(Cc1ccc(Cl)c(Cl)c1)CC2 ZINC000049928423 600295039 /nfs/dbraw/zinc/29/50/39/600295039.db2.gz BWAZUALSTSSONA-NSHDSACASA-N -1 1 314.212 3.680 20 0 DHADMM C[C@H](CN(C)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000263517679 600363132 /nfs/dbraw/zinc/36/31/32/600363132.db2.gz PJHKJRGWIYXPLE-SNVBAGLBSA-N -1 1 324.833 3.616 20 0 DHADMM Cc1oc(CN2CCS[C@@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC000738979626 600412827 /nfs/dbraw/zinc/41/28/27/600412827.db2.gz OFDJCCBSCXOPFD-MRXNPFEDSA-N -1 1 317.410 3.576 20 0 DHADMM O=C([O-])[C@@H](NCc1ccc(F)cc1F)c1cccc(Cl)c1 ZINC000562343950 600430370 /nfs/dbraw/zinc/43/03/70/600430370.db2.gz CJKLMXPUIPRPEL-AWEZNQCLSA-N -1 1 311.715 3.534 20 0 DHADMM O=C([O-])c1ccc(CCNc2ccnc3cc(F)ccc32)cc1 ZINC000740123745 600638004 /nfs/dbraw/zinc/63/80/04/600638004.db2.gz LFGPCEFIVHXHJQ-UHFFFAOYSA-N -1 1 310.328 3.727 20 0 DHADMM CN(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)CC(C)(C)C ZINC000830869855 600823684 /nfs/dbraw/zinc/82/36/84/600823684.db2.gz NJOGIKCPVHBORI-UHFFFAOYSA-N -1 1 318.442 3.986 20 0 DHADMM O=C([O-])c1coc(CN2CCC(OCC3CCCCC3)CC2)c1 ZINC000833339000 600837197 /nfs/dbraw/zinc/83/71/97/600837197.db2.gz BGSLYGNWLOXSMT-UHFFFAOYSA-N -1 1 321.417 3.539 20 0 DHADMM CCCC[C@@H](Sc1nnc(CCC2CCCC2)[nH]1)C(=O)[O-] ZINC000736986138 600937413 /nfs/dbraw/zinc/93/74/13/600937413.db2.gz UHPWRDOWEGFWDW-GFCCVEGCSA-N -1 1 311.451 3.663 20 0 DHADMM CCCC[C@@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)[O-] ZINC000736986138 600937415 /nfs/dbraw/zinc/93/74/15/600937415.db2.gz UHPWRDOWEGFWDW-GFCCVEGCSA-N -1 1 311.451 3.663 20 0 DHADMM C/C(=C\CN1CCc2sccc2[C@@H]1c1cccs1)C(=O)[O-] ZINC000825746073 601049176 /nfs/dbraw/zinc/04/91/76/601049176.db2.gz DZFOSIIHWVBPFG-XPMGFOTESA-N -1 1 319.451 3.788 20 0 DHADMM O=C([O-])c1ccc(CN2CCCC[C@H]2c2ccc(F)cc2)o1 ZINC000833313266 601452396 /nfs/dbraw/zinc/45/23/96/601452396.db2.gz QZTCMGFXCKEKMG-HNNXBMFYSA-N -1 1 303.333 3.844 20 0 DHADMM O=C([O-])[C@@H]1c2ccccc2CCN1Cc1ccc(Cl)s1 ZINC000043594151 601541218 /nfs/dbraw/zinc/54/12/18/601541218.db2.gz CCIDLZYEIVUGOJ-AWEZNQCLSA-N -1 1 307.802 3.586 20 0 DHADMM O=C([O-])c1ccc(CN(Cc2cccc(F)c2)C2CC2)cc1F ZINC000833313918 601620455 /nfs/dbraw/zinc/62/04/55/601620455.db2.gz BDBRXONSGOCXQU-UHFFFAOYSA-N -1 1 317.335 3.828 20 0 DHADMM CC[C@](C)(NCc1ccc(C(=O)[O-])s1)c1nc(C)cs1 ZINC000828693725 601962386 /nfs/dbraw/zinc/96/23/86/601962386.db2.gz ZQMZGXODIUEHIU-AWEZNQCLSA-N -1 1 310.444 3.626 20 0 DHADMM CCc1nc2c(s1)[C@@H](N(C)Cc1occc1C(=O)[O-])CCC2 ZINC000570403517 602055959 /nfs/dbraw/zinc/05/59/59/602055959.db2.gz QLURMDPFXMYVEI-LBPRGKRZSA-N -1 1 320.414 3.506 20 0 DHADMM COc1ccc(CN(C)[C@H](C)c2cc(C)c(C(=O)[O-])o2)cc1F ZINC000832310806 604381678 /nfs/dbraw/zinc/38/16/78/604381678.db2.gz HXJZPFFMINXKSQ-LLVKDONJSA-N -1 1 321.348 3.627 20 0 DHADMM C[C@@H]1C[C@@H]1c1ccc(CN(Cc2c[nH]c(C(=O)[O-])c2)C2CC2)o1 ZINC000833604617 604532944 /nfs/dbraw/zinc/53/29/44/604532944.db2.gz KQLJVHHDLHXOJA-ABAIWWIYSA-N -1 1 314.385 3.594 20 0 DHADMM C[C@@H](c1cc(Cl)ccc1Cl)N1CCC(C(=O)[O-])CC1 ZINC000086727572 605061371 /nfs/dbraw/zinc/06/13/71/605061371.db2.gz YQCVITOWIHTWCX-VIFPVBQESA-N -1 1 302.201 3.851 20 0 DHADMM C/C(=C/CN[C@H](C)c1cc(F)c(Cl)cc1Cl)C(=O)[O-] ZINC000833384490 605062353 /nfs/dbraw/zinc/06/23/53/605062353.db2.gz RJZOLFLPQPGXHZ-LSFDQVSLSA-N -1 1 306.164 3.814 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN[C@@H](C)c1ccc(C)c(F)c1 ZINC000833681389 605173935 /nfs/dbraw/zinc/17/39/35/605173935.db2.gz ZYTMMHHZBGNMER-NSHDSACASA-N -1 1 305.349 3.839 20 0 DHADMM O=C([O-])Nc1ccc(CN(Cc2ccco2)C2CCCC2)cn1 ZINC000834259343 605481039 /nfs/dbraw/zinc/48/10/39/605481039.db2.gz XEXOLAHSVSDLMP-UHFFFAOYSA-N -1 1 315.373 3.709 20 0 DHADMM C(=Cc1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)s1 ZINC000819709803 606387001 /nfs/dbraw/zinc/38/70/01/606387001.db2.gz PRVCFVLZLHIUEF-VURMDHGXSA-N -1 1 311.395 3.708 20 0 DHADMM C[C@H](Sc1cccc(-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC000824755311 607896936 /nfs/dbraw/zinc/89/69/36/607896936.db2.gz LBJRQKHPVOCWNR-VIFPVBQESA-N -1 1 317.805 3.768 20 0 DHADMM C[C@H](Sc1cccc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC000824755311 607896937 /nfs/dbraw/zinc/89/69/37/607896937.db2.gz LBJRQKHPVOCWNR-VIFPVBQESA-N -1 1 317.805 3.768 20 0 DHADMM CC(C)C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1cccs1 ZINC000824235342 607901321 /nfs/dbraw/zinc/90/13/21/607901321.db2.gz FWEFVWQZDCAHEG-LBPRGKRZSA-N -1 1 314.418 3.523 20 0 DHADMM CC(C)C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1cccs1 ZINC000824235342 607901322 /nfs/dbraw/zinc/90/13/22/607901322.db2.gz FWEFVWQZDCAHEG-LBPRGKRZSA-N -1 1 314.418 3.523 20 0 DHADMM CC(C)Sc1ccccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000820183450 945367437 /nfs/dbraw/zinc/36/74/37/945367437.db2.gz CQQJPXHXBFGZPS-UHFFFAOYSA-N -1 1 315.402 3.572 20 0 DHADMM CC(C)Sc1ccccc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000820183450 945367447 /nfs/dbraw/zinc/36/74/47/945367447.db2.gz CQQJPXHXBFGZPS-UHFFFAOYSA-N -1 1 315.402 3.572 20 0 DHADMM O=C([O-])c1cccc(CN[C@@H]2CCOc3c(Cl)cccc32)c1 ZINC001595245160 949513165 /nfs/dbraw/zinc/51/31/65/949513165.db2.gz WIXWWXQGZYDPJX-OAHLLOKOSA-N -1 1 317.772 3.652 20 0 DHADMM C[C@@H]1CN(Cc2ccc(Cl)cc2Cl)CC[C@@H]1C(=O)[O-] ZINC000311357483 950732880 /nfs/dbraw/zinc/73/28/80/950732880.db2.gz AGPWRIMOAUUVAW-SKDRFNHKSA-N -1 1 302.201 3.536 20 0 DHADMM C[C@](NCc1cccc(Cl)c1F)(C(=O)[O-])c1ccccc1 ZINC001589131209 956191443 /nfs/dbraw/zinc/19/14/43/956191443.db2.gz FRZCKXJMNOGFKZ-MRXNPFEDSA-N -1 1 307.752 3.569 20 0 DHADMM O=C([O-])C[C@H]1CCCCN1Cc1csc(-c2ccsc2)n1 ZINC000038027790 957349345 /nfs/dbraw/zinc/34/93/45/957349345.db2.gz LVTKVXNVXUHFLL-CYBMUJFWSA-N -1 1 322.455 3.701 20 0 DHADMM C[C@@]1(C(=O)[O-])CCCN(Cc2cccc(Cl)c2Cl)C1 ZINC000086783019 957987339 /nfs/dbraw/zinc/98/73/39/957987339.db2.gz ABZSZIBTZQKONQ-CQSZACIVSA-N -1 1 302.201 3.680 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CCC(=O)c2ccccc21 ZINC000339958733 1013168152 /nfs/dbraw/zinc/16/81/52/1013168152.db2.gz KOGAQYFDIAPORU-ZDUSSCGKSA-N -1 1 315.756 3.744 20 0 DHADMM COc1cccc(CN[C@@H](C(=O)[O-])c2cccc(C)c2)c1Cl ZINC001594129798 958654845 /nfs/dbraw/zinc/65/48/45/958654845.db2.gz PMVIKWPKEKNTCG-MRXNPFEDSA-N -1 1 319.788 3.573 20 0 DHADMM COc1cccc([C@H](C)Sc2nc(C(F)F)cc(=O)[n-]2)c1 ZINC000518841530 1013235293 /nfs/dbraw/zinc/23/52/93/1013235293.db2.gz UUAHRJFZTFUPSN-QMMMGPOBSA-N -1 1 312.341 3.982 20 0 DHADMM COCc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1 ZINC000073631011 1013334349 /nfs/dbraw/zinc/33/43/49/1013334349.db2.gz YCWGRQVRGDKXRF-UHFFFAOYSA-N -1 1 319.426 3.757 20 0 DHADMM C[C@@H]1CCCC[N@H+]1Cc1c(Br)cccc1C(=O)[O-] ZINC000652369093 1013380091 /nfs/dbraw/zinc/38/00/91/1013380091.db2.gz GZCXUNHPWFKVEW-SNVBAGLBSA-N -1 1 312.207 3.522 20 0 DHADMM CSc1ccc(O[C@@H](C)C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000340329056 1013498070 /nfs/dbraw/zinc/49/80/70/1013498070.db2.gz TUQCJQVCBNPXEE-JTQLQIEISA-N -1 1 321.373 3.659 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(N2CCCC2)c(F)c1 ZINC000340329010 1013498451 /nfs/dbraw/zinc/49/84/51/1013498451.db2.gz SIVQPPKDRCENDW-UHFFFAOYSA-N -1 1 318.323 3.523 20 0 DHADMM [O-]c1ccc(-c2noc(C[C@]34CCCC[C@H]3C4(F)F)n2)c(F)c1 ZINC000664849935 1013499386 /nfs/dbraw/zinc/49/93/86/1013499386.db2.gz MNTDOMJXNHCOHN-IUODEOHRSA-N -1 1 324.302 3.949 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1cnc(-c2ccsc2)s1 ZINC000340331597 1013499601 /nfs/dbraw/zinc/49/96/01/1013499601.db2.gz SSUNHCFDUJQYJV-UHFFFAOYSA-N -1 1 320.370 3.969 20 0 DHADMM O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1c([O-])cccc1F ZINC000547859145 1013542309 /nfs/dbraw/zinc/54/23/09/1013542309.db2.gz DYQNJAFONGAOFN-ZDUSSCGKSA-N -1 1 313.250 3.565 20 0 DHADMM O=C(C=CC1CCCCC1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000843765688 1013673667 /nfs/dbraw/zinc/67/36/67/1013673667.db2.gz HHVRVQNNMDREOG-IZZDOVSWSA-N -1 1 311.385 3.857 20 0 DHADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(F)cc1C(F)(F)F ZINC000263515595 967898132 /nfs/dbraw/zinc/89/81/32/967898132.db2.gz OPQPKFRBVZQMQU-MWLCHTKSSA-N -1 1 319.298 3.530 20 0 DHADMM COc1cc(C(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)cc(Cl)c1[O-] ZINC000334091311 1013886745 /nfs/dbraw/zinc/88/67/45/1013886745.db2.gz PSEKQQBXRCZRRG-GIPNMCIBSA-N -1 1 311.809 3.609 20 0 DHADMM C[C@H]1c2ccsc2CCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000049933478 1014026780 /nfs/dbraw/zinc/02/67/80/1014026780.db2.gz WOBHVHWVGNCFCM-VIFPVBQESA-N -1 1 307.802 3.867 20 0 DHADMM Cc1ccccc1[C@@H](C(=O)[O-])N1CCc2c3ccccc3[nH]c2C1 ZINC000514867510 974293442 /nfs/dbraw/zinc/29/34/42/974293442.db2.gz WRJPVLXOVOKTFT-IBGZPJMESA-N -1 1 320.392 3.660 20 0 DHADMM C[C@@]12CCN(Cc3cccc(C(=O)[O-])c3Cl)C[C@@H]1C2(F)F ZINC000563455875 974534800 /nfs/dbraw/zinc/53/48/00/974534800.db2.gz RFVSLZBQRYSDQM-SMDDNHRTSA-N -1 1 315.747 3.515 20 0 DHADMM COc1cccc([C@H](C)[N@H+]2CCc3ccc(C(=O)[O-])cc3C2)c1 ZINC000567281368 974631654 /nfs/dbraw/zinc/63/16/54/974631654.db2.gz WCWWGQSSPSNWDD-ZDUSSCGKSA-N -1 1 311.381 3.513 20 0 DHADMM COc1cccc([C@H](C)N2CCc3ccc(C(=O)[O-])cc3C2)c1 ZINC000567281368 974631659 /nfs/dbraw/zinc/63/16/59/974631659.db2.gz WCWWGQSSPSNWDD-ZDUSSCGKSA-N -1 1 311.381 3.513 20 0 DHADMM C[C@@H]1CCSCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000190027692 1014231039 /nfs/dbraw/zinc/23/10/39/1014231039.db2.gz KPJVYZSBAFIBBC-GFCCVEGCSA-N -1 1 301.411 3.513 20 0 DHADMM O=C([O-])c1ccc(CN2CCC[C@H](OC3CCC3)C2)cc1Cl ZINC000656191399 975645375 /nfs/dbraw/zinc/64/53/75/975645375.db2.gz LMGSDQZJGTXOMB-AWEZNQCLSA-N -1 1 323.820 3.572 20 0 DHADMM CC(C)Oc1ccc([C@@H](C)NCc2occc2C(=O)[O-])cc1 ZINC001591772918 975909258 /nfs/dbraw/zinc/90/92/58/975909258.db2.gz PERROZGVGNVNBR-GFCCVEGCSA-N -1 1 303.358 3.616 20 0 DHADMM O=C([O-])[C@H](NCc1ccc(C2CC2)cc1)c1cc(F)ccc1F ZINC000669471455 976005913 /nfs/dbraw/zinc/00/59/13/976005913.db2.gz MXMBLUFSNNWSOQ-QGZVFWFLSA-N -1 1 317.335 3.758 20 0 DHADMM CC(C)c1cccc(C(=O)Nc2nc3cccc(C(=O)[O-])c3[nH]2)c1 ZINC001591988134 976615643 /nfs/dbraw/zinc/61/56/43/976615643.db2.gz WQUCGMYJCVAJNF-UHFFFAOYSA-N -1 1 323.352 3.637 20 0 DHADMM CC(C)c1nc([C@H]2CCCCCN2CCC(C)(C)C(=O)[O-])no1 ZINC001592015118 976696368 /nfs/dbraw/zinc/69/63/68/976696368.db2.gz JBWAIGHOWUXLHB-CYBMUJFWSA-N -1 1 323.437 3.611 20 0 DHADMM CC1([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC=CC1 ZINC000655629260 1014367172 /nfs/dbraw/zinc/36/71/72/1014367172.db2.gz FMOZSODWQVDXHN-UHFFFAOYSA-N -1 1 324.204 3.520 20 0 DHADMM C[C@@](CC(=O)[O-])(NCc1ccccc1Cl)c1cccc(F)c1 ZINC001592329155 977752942 /nfs/dbraw/zinc/75/29/42/977752942.db2.gz SBBASHVEKNDRCJ-KRWDZBQOSA-N -1 1 321.779 3.959 20 0 DHADMM C[C@@H](CN(C)[C@@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001592579594 978489809 /nfs/dbraw/zinc/48/98/09/978489809.db2.gz VIRGMJNBKADOPR-RYUDHWBXSA-N -1 1 304.415 3.638 20 0 DHADMM CCn1nccc1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001167444657 1014534640 /nfs/dbraw/zinc/53/46/40/1014534640.db2.gz KADHHJGXPQRVRE-UHFFFAOYSA-N -1 1 315.760 3.668 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N(CC(F)F)C1CCC1 ZINC000895147934 1014611538 /nfs/dbraw/zinc/61/15/38/1014611538.db2.gz AUPDAKRQJPJHJH-UHFFFAOYSA-N -1 1 305.324 3.805 20 0 DHADMM C[C@H]1CCN(Cc2cc(F)cc(C(F)(F)F)c2)[C@@H](C(=O)[O-])C1 ZINC000902018964 980695189 /nfs/dbraw/zinc/69/51/89/980695189.db2.gz VYTYVEUPPKJBFW-TVQRCGJNSA-N -1 1 319.298 3.530 20 0 DHADMM CCOc1ccc(CN(C)Cc2cc(C(=O)[O-])c(CC)o2)cc1 ZINC000902061882 980717552 /nfs/dbraw/zinc/71/75/52/980717552.db2.gz NZCBSPJEFFFAJR-UHFFFAOYSA-N -1 1 317.385 3.571 20 0 DHADMM CC[C@@H](c1ccc(F)cc1)N(C)Cc1ccc(C(=O)[O-])cn1 ZINC001595359529 980742515 /nfs/dbraw/zinc/74/25/15/980742515.db2.gz DBCKRSUZBCRHFA-INIZCTEOSA-N -1 1 302.349 3.502 20 0 DHADMM CCOc1cccc([C@H](C)NCc2cc(C)c(C(=O)[O-])o2)c1 ZINC000902164755 980764220 /nfs/dbraw/zinc/76/42/20/980764220.db2.gz MPYXFJFFQACFCE-LBPRGKRZSA-N -1 1 303.358 3.536 20 0 DHADMM CC1(C)C[C@H](NCc2ccc(/C=C/C(=O)[O-])o2)c2ccccc21 ZINC000902262826 980806513 /nfs/dbraw/zinc/80/65/13/980806513.db2.gz GGBQAFZSHWQFPB-FVNWOWOISA-N -1 1 311.381 3.890 20 0 DHADMM O=C([O-])c1csc(CNCc2ccccc2OC2CCC2)c1 ZINC000902288889 980818934 /nfs/dbraw/zinc/81/89/34/980818934.db2.gz ZUCCSQHTFKKPSP-UHFFFAOYSA-N -1 1 317.410 3.667 20 0 DHADMM Cc1ccc(CNCc2ccoc2C(=O)[O-])c(OC(C)(C)C)c1 ZINC000902349976 980845219 /nfs/dbraw/zinc/84/52/19/980845219.db2.gz QYMBOMXBAAIQBT-UHFFFAOYSA-N -1 1 317.385 3.753 20 0 DHADMM O=C([O-])c1cc(CN[C@H](CC2CCCC2)c2ccccc2)on1 ZINC000902413757 980876162 /nfs/dbraw/zinc/87/61/62/980876162.db2.gz XNULCNPRXQPXJB-MRXNPFEDSA-N -1 1 314.385 3.784 20 0 DHADMM O=C([O-])[C@@H](c1cccc(Cl)c1Cl)N1CCC[C@H](CF)C1 ZINC000903607912 980988182 /nfs/dbraw/zinc/98/81/82/980988182.db2.gz OZBBNQSNPRZEOX-NOZJJQNGSA-N -1 1 320.191 3.801 20 0 DHADMM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CCC(F)CC1 ZINC000903607570 980988598 /nfs/dbraw/zinc/98/85/98/980988598.db2.gz KGTULIYGAGESTO-LBPRGKRZSA-N -1 1 306.164 3.553 20 0 DHADMM O=C([O-])c1ccc(CN(Cc2ccoc2)C2CC2)cc1Cl ZINC000903947162 981072439 /nfs/dbraw/zinc/07/24/39/981072439.db2.gz UAUQXDMVMAUOLD-UHFFFAOYSA-N -1 1 305.761 3.796 20 0 DHADMM CCCOc1ccc(-c2nc(=O)c3sc(C)cc3[n-]2)cc1 ZINC000656492129 1014725457 /nfs/dbraw/zinc/72/54/57/1014725457.db2.gz WRXRCYGDOWDPPG-UHFFFAOYSA-N -1 1 300.383 3.749 20 0 DHADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2ccoc2c1 ZINC000442820719 1014742857 /nfs/dbraw/zinc/74/28/57/1014742857.db2.gz ADSPFEFLBCAOIY-UHFFFAOYSA-N -1 1 305.330 3.681 20 0 DHADMM CC[C@@H](C)[C@H](C(=O)[O-])N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC001594874767 982203907 /nfs/dbraw/zinc/20/39/07/982203907.db2.gz YJDCFHJLNNEKTB-BDJLRTHQSA-N -1 1 320.820 3.610 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1ccnc(Oc2ccccc2)c1 ZINC000608367512 1014960911 /nfs/dbraw/zinc/96/09/11/1014960911.db2.gz SZTGWOQZMPTFDK-UHFFFAOYSA-N -1 1 324.311 3.971 20 0 DHADMM CCN(C(=O)c1cc(F)ccc1[O-])[C@H](C)c1cccc(OC)c1 ZINC000093963592 1014993290 /nfs/dbraw/zinc/99/32/90/1014993290.db2.gz IVEJRAOJUHAEAC-GFCCVEGCSA-N -1 1 317.360 3.763 20 0 DHADMM CCc1ccccc1CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000443637560 1015057264 /nfs/dbraw/zinc/05/72/64/1015057264.db2.gz JIZOSPHTFIHPPC-UHFFFAOYSA-N -1 1 321.380 3.526 20 0 DHADMM C[C@H](NCc1ccc(C(=O)[O-])[nH]1)c1ccc(Cl)cc1Cl ZINC001599901249 984832885 /nfs/dbraw/zinc/83/28/85/984832885.db2.gz CTQUDEWKVIKFDY-QMMMGPOBSA-N -1 1 313.184 3.871 20 0 DHADMM COc1cc(C(=O)NC[C@@H]2CCC[C@H]2C2CC2)cc(Cl)c1[O-] ZINC000581654464 1015144413 /nfs/dbraw/zinc/14/44/13/1015144413.db2.gz VCXGYKHTKOMXPQ-AAEUAGOBSA-N -1 1 323.820 3.610 20 0 DHADMM CC[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])C[C@H](CC)O1 ZINC000398803349 1015160711 /nfs/dbraw/zinc/16/07/11/1015160711.db2.gz UUTKXAWABDCXPX-GJZGRUSLSA-N -1 1 313.397 3.575 20 0 DHADMM Cc1[nH]c(S[C@@H](CC(C)C)C(=O)[O-])nc1Cc1ccccc1 ZINC001599965425 985894193 /nfs/dbraw/zinc/89/41/93/985894193.db2.gz BRLXKGKCICXXAA-HNNXBMFYSA-N -1 1 318.442 3.900 20 0 DHADMM C[C@@H]1Cc2ccccc2CN1Cc1cccc(C(=O)[O-])c1Cl ZINC001594622325 986665391 /nfs/dbraw/zinc/66/53/91/986665391.db2.gz ATLITFOEVMQJFH-GFCCVEGCSA-N -1 1 315.800 3.985 20 0 DHADMM CCOc1ccc(CN[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])o1 ZINC001597100651 986707096 /nfs/dbraw/zinc/70/70/96/986707096.db2.gz AXUCXASSGVYUMW-INIZCTEOSA-N -1 1 317.385 3.620 20 0 DHADMM C[C@H]1c2ccc(F)cc2CCN1Cc1cc(C(=O)[O-])cs1 ZINC001594667969 986974352 /nfs/dbraw/zinc/97/43/52/986974352.db2.gz PLTZNCSCMDVIEN-JTQLQIEISA-N -1 1 305.374 3.705 20 0 DHADMM CC(C)(C(=O)[O-])[C@H](NCc1nc2ccccc2[nH]1)c1ccccc1 ZINC001589601349 987426708 /nfs/dbraw/zinc/42/67/08/987426708.db2.gz KCAQRGQAQAARIP-QGZVFWFLSA-N -1 1 323.396 3.505 20 0 DHADMM COc1ccc(-c2noc([N-][C@H](c3ccccn3)C3CC3)n2)cc1 ZINC000895795785 1015307318 /nfs/dbraw/zinc/30/73/18/1015307318.db2.gz HMFIACVRRIMONW-INIZCTEOSA-N -1 1 322.368 3.703 20 0 DHADMM CCc1[nH]c(CN(C)Cc2cccc(Cl)c2)cc1C(=O)[O-] ZINC001597380504 987575075 /nfs/dbraw/zinc/57/50/75/987575075.db2.gz NRULMEMPWGBUKT-UHFFFAOYSA-N -1 1 306.793 3.561 20 0 DHADMM COCCc1ccccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000191704638 1015334048 /nfs/dbraw/zinc/33/40/48/1015334048.db2.gz VJMWHKRKWHTKSO-UHFFFAOYSA-N -1 1 321.376 3.987 20 0 DHADMM CCc1ccc2c(c1)CN(Cc1ccc(C(=O)[O-])cc1F)CC2 ZINC001597568294 988323124 /nfs/dbraw/zinc/32/31/24/988323124.db2.gz DTKDIDYOXFBJDF-UHFFFAOYSA-N -1 1 313.372 3.645 20 0 DHADMM CSc1cccc(F)c1CNCc1cccc(C(=O)[O-])c1 ZINC001599821405 988520515 /nfs/dbraw/zinc/52/05/15/988520515.db2.gz AHKDXRXRPJYANF-UHFFFAOYSA-N -1 1 305.374 3.536 20 0 DHADMM CCc1cnc(CN[C@H](CC)c2ccc(C(=O)[O-])cc2)s1 ZINC001597630916 988594695 /nfs/dbraw/zinc/59/46/95/988594695.db2.gz INLLALGICVJNFM-CQSZACIVSA-N -1 1 304.415 3.645 20 0 DHADMM CCc1oc(CN2C[C@H](C)C[C@@H]2c2cccnc2)cc1C(=O)[O-] ZINC001597797379 989361010 /nfs/dbraw/zinc/36/10/10/989361010.db2.gz ZYJMZUIIDSFEFQ-MLGOLLRUSA-N -1 1 314.385 3.518 20 0 DHADMM CCc1oc(CN2CCC[C@@H](CC(F)(F)F)C2)cc1C(=O)[O-] ZINC001597798368 989366344 /nfs/dbraw/zinc/36/63/44/989366344.db2.gz BURGRQGVNMNHKU-JTQLQIEISA-N -1 1 319.323 3.705 20 0 DHADMM CC(C)(NC(=O)c1cc2ccccc2cc1[O-])c1nccs1 ZINC000116140688 1015483960 /nfs/dbraw/zinc/48/39/60/1015483960.db2.gz NNIPQOMKYQCNOB-UHFFFAOYSA-N -1 1 312.394 3.667 20 0 DHADMM CC(C)[C@@H](NCc1oncc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001591034086 991351285 /nfs/dbraw/zinc/35/12/85/991351285.db2.gz ZAWROHXXAKZTFC-CQSZACIVSA-N -1 1 308.765 3.513 20 0 DHADMM COc1ccccc1[C@H](C)NCc1cc(C(=O)[O-])c(C(C)C)[nH]1 ZINC001599719071 991505556 /nfs/dbraw/zinc/50/55/56/991505556.db2.gz DISQHVIXCKQQGC-LBPRGKRZSA-N -1 1 316.401 3.696 20 0 DHADMM CC[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001211889450 1015800986 /nfs/dbraw/zinc/80/09/86/1015800986.db2.gz BYSRGFIYRGKSOW-GHMZBOCLSA-N -1 1 319.829 3.584 20 0 DHADMM Cc1ccc(C[C@@H](C)NC(=O)c2c(F)ccc([O-])c2F)c(C)c1 ZINC000280926835 1015811228 /nfs/dbraw/zinc/81/12/28/1015811228.db2.gz JZMOWNDOTZGHTD-GFCCVEGCSA-N -1 1 319.351 3.648 20 0 DHADMM COc1ccc([C@@H](C)NCc2cc(C(=O)[O-])ccc2F)cc1C ZINC001599620753 994079429 /nfs/dbraw/zinc/07/94/29/994079429.db2.gz RFXBMLVJPMLKPM-GFCCVEGCSA-N -1 1 317.360 3.692 20 0 DHADMM C[C@@H](NCc1cccc(Cl)c1)c1ccccc1OCC(=O)[O-] ZINC001593305151 994760152 /nfs/dbraw/zinc/76/01/52/994760152.db2.gz XEJKTJPGSQUMOV-GFCCVEGCSA-N -1 1 319.788 3.654 20 0 DHADMM C[C@@H](N[C@H](C)c1ccccc1Cl)c1cncc(C(=O)[O-])c1 ZINC001593354492 994993007 /nfs/dbraw/zinc/99/30/07/994993007.db2.gz ROOHNRXEFXWJPH-GHMZBOCLSA-N -1 1 304.777 3.845 20 0 DHADMM Cc1cccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1C ZINC000535890497 1015988668 /nfs/dbraw/zinc/98/86/68/1015988668.db2.gz BLJLOIZLWLBGGJ-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM CC(C)(O)C1CCC(c2nc(-c3ccc([O-])c(F)c3)no2)CC1 ZINC000650591091 1016013851 /nfs/dbraw/zinc/01/38/51/1016013851.db2.gz ZWZGRVHUHKTJJV-UHFFFAOYSA-N -1 1 320.364 3.626 20 0 DHADMM C[C@@H](c1ncc(C(=O)[O-])s1)N(C)CCCCc1ccccc1 ZINC001593732430 996313038 /nfs/dbraw/zinc/31/30/38/996313038.db2.gz ULEDONCNGAXUMR-ZDUSSCGKSA-N -1 1 318.442 3.857 20 0 DHADMM Cc1c(=O)[n-]c(S[C@@H]2COC(C)(C)C2)nc1-c1ccccc1 ZINC000657257779 1016120295 /nfs/dbraw/zinc/12/02/95/1016120295.db2.gz WBEVPGNONMBLGN-ZDUSSCGKSA-N -1 1 316.426 3.817 20 0 DHADMM CCc1nc(SCc2csc(C(C)C)n2)[n-]c(=O)c1C ZINC000657264914 1016143193 /nfs/dbraw/zinc/14/31/93/1016143193.db2.gz FCQQCFNWAYHLNF-UHFFFAOYSA-N -1 1 309.460 3.925 20 0 DHADMM CC1=C(c2ccco2)CN(Cc2ccc(C(=O)[O-])cc2F)CC1 ZINC001594109923 998199907 /nfs/dbraw/zinc/19/99/07/998199907.db2.gz MYAKSGAHZRYYLQ-UHFFFAOYSA-N -1 1 315.344 3.796 20 0 DHADMM COc1ccc(Cl)c2c1CCC[C@H]2N(C)C/C=C(/C)C(=O)[O-] ZINC001599577062 998461667 /nfs/dbraw/zinc/46/16/67/998461667.db2.gz DSSNORDXTQAGIK-RBJHHQRMSA-N -1 1 323.820 3.689 20 0 DHADMM C[C@H]1[C@H](C(F)(F)F)CCN1Cc1cc(C(=O)[O-])ccc1Cl ZINC001594177391 998688901 /nfs/dbraw/zinc/68/89/01/998688901.db2.gz XGPVHFMAORTMQN-GZMMTYOYSA-N -1 1 321.726 3.811 20 0 DHADMM C[C@H]1CCN(Cc2ccc(F)c(Cl)c2Cl)[C@@H](C(=O)[O-])C1 ZINC001594423765 999583495 /nfs/dbraw/zinc/58/34/95/999583495.db2.gz GXQAKGOJBFFDTG-GZMMTYOYSA-N -1 1 320.191 3.818 20 0 DHADMM O=C(Nc1cc(F)cc(Cl)c1)c1c(F)ccc([O-])c1F ZINC000622444224 1016416927 /nfs/dbraw/zinc/41/69/27/1016416927.db2.gz AMBRFQCGBVILBG-UHFFFAOYSA-N -1 1 301.651 3.715 20 0 DHADMM Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(F)cc1[O-] ZINC000622467351 1016425103 /nfs/dbraw/zinc/42/51/03/1016425103.db2.gz QCDHZNQXTQDDBM-UHFFFAOYSA-N -1 1 317.360 3.981 20 0 DHADMM Cc1n[nH]cc1Nc1c(Cl)ccc(Br)c1[O-] ZINC001174475582 1034432710 /nfs/dbraw/zinc/43/27/10/1034432710.db2.gz KLCCLCQUBBSNLP-UHFFFAOYSA-N -1 1 302.559 3.583 20 0 DHADMM CC(C)(CNC(=O)c1cc2ccccc2cc1[O-])c1cccnc1 ZINC000622714054 1016530638 /nfs/dbraw/zinc/53/06/38/1016530638.db2.gz RQORPSHQSOOUKB-UHFFFAOYSA-N -1 1 320.392 3.648 20 0 DHADMM C[C@]1(C(=O)[O-])CCCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000062876568 1016747886 /nfs/dbraw/zinc/74/78/86/1016747886.db2.gz HUBCIMSKXCNHAD-AWEZNQCLSA-N -1 1 302.201 3.680 20 0 DHADMM CN(C)c1ccccc1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684871280 1016753051 /nfs/dbraw/zinc/75/30/51/1016753051.db2.gz CTEDPQPBSVWNEI-UHFFFAOYSA-N -1 1 324.302 3.729 20 0 DHADMM C[C@@H]1CCC[C@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000684870565 1016751768 /nfs/dbraw/zinc/75/17/68/1016751768.db2.gz JAMBZRDXDIOEOC-KOLCDFICSA-N -1 1 301.308 3.720 20 0 DHADMM Cc1occc1CN(C)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684874120 1016758530 /nfs/dbraw/zinc/75/85/30/1016758530.db2.gz JKSFWRKKKRUJBI-UHFFFAOYSA-N -1 1 313.275 3.585 20 0 DHADMM CN(C[C@@H]1CC=CCC1)C(=O)c1ccc(Br)c([O-])c1 ZINC000345469000 1017030723 /nfs/dbraw/zinc/03/07/23/1017030723.db2.gz LRTWATPPURORJB-LLVKDONJSA-N -1 1 324.218 3.583 20 0 DHADMM C[C@@H]1c2ccsc2CCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000049933477 1017042447 /nfs/dbraw/zinc/04/24/47/1017042447.db2.gz WOBHVHWVGNCFCM-SECBINFHSA-N -1 1 307.802 3.867 20 0 DHADMM CCc1noc(C)c1[N-]C(=O)c1cc(-c2cccs2)on1 ZINC000179336759 1017238449 /nfs/dbraw/zinc/23/84/49/1017238449.db2.gz INTWTFVPZUXBTA-UHFFFAOYSA-N -1 1 303.343 3.514 20 0 DHADMM CCCCC(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000444356836 1017233095 /nfs/dbraw/zinc/23/30/95/1017233095.db2.gz FORRPJIRMZRXEB-UHFFFAOYSA-N -1 1 318.417 3.583 20 0 DHADMM C[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000086779224 1032266658 /nfs/dbraw/zinc/26/66/58/1032266658.db2.gz QARXBDGXAIOVKP-LKFCYVNXSA-N -1 1 302.201 3.851 20 0 DHADMM Cc1ccccc1C[C@@H]1CCCN1C(=O)c1cccc([O-])c1F ZINC001147074248 1032275142 /nfs/dbraw/zinc/27/51/42/1032275142.db2.gz PGJXNWKUMAIROA-HNNXBMFYSA-N -1 1 313.372 3.687 20 0 DHADMM CCCN(C(=O)c1ccc(F)c([O-])c1)[C@H]1C[C@@H](OCC)C1(C)C ZINC001147225975 1032294209 /nfs/dbraw/zinc/29/42/09/1032294209.db2.gz CFTGZGCACHEYAA-JKSUJKDBSA-N -1 1 323.408 3.587 20 0 DHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])c1cnoc1C1CC1 ZINC001147660692 1032328981 /nfs/dbraw/zinc/32/89/81/1032328981.db2.gz JMIHZSDAEFVJNM-UHFFFAOYSA-N -1 1 312.247 3.529 20 0 DHADMM C[C@H]1C[C@@H](CF)N(C(=O)c2cccc(-c3ccccc3)c2[O-])C1 ZINC001148867402 1032449697 /nfs/dbraw/zinc/44/96/97/1032449697.db2.gz SNWPWSIPCOOUIW-ZFWWWQNUSA-N -1 1 313.372 3.879 20 0 DHADMM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc([O-])cc2F)C1(CC)CC ZINC001148988071 1032457153 /nfs/dbraw/zinc/45/71/53/1032457153.db2.gz NISNPKDEBYLUBF-CVEARBPZSA-N -1 1 323.408 3.587 20 0 DHADMM COc1ccc(-c2nc(-c3cncc4ccccc43)no2)c([O-])c1 ZINC000350571366 1017301323 /nfs/dbraw/zinc/30/13/23/1017301323.db2.gz XRHRCSQOSMEUOF-UHFFFAOYSA-N -1 1 319.320 3.666 20 0 DHADMM C[C@@H](c1cccnc1)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000122133308 1032511373 /nfs/dbraw/zinc/51/13/73/1032511373.db2.gz NPKDLHMYMLSRON-ZDUSSCGKSA-N -1 1 306.365 3.774 20 0 DHADMM O=C(NN=Cc1ccccc1Cl)c1cc2ccccc2cc1[O-] ZINC000254771642 1011895347 /nfs/dbraw/zinc/89/53/47/1011895347.db2.gz ZRTQQKIKGQKVFK-UHFFFAOYSA-N -1 1 324.767 3.963 20 0 DHADMM O=C(Nc1ccc(Oc2cccnc2)cc1)c1ccc(F)c([O-])c1 ZINC001625778095 1011960568 /nfs/dbraw/zinc/96/05/68/1011960568.db2.gz JLVIXMGEYSTRCZ-UHFFFAOYSA-N -1 1 324.311 3.971 20 0 DHADMM C[C@@H]1CCCN(Cc2ccc(F)c(Cl)c2Cl)[C@H]1C(=O)[O-] ZINC000424418467 1012016982 /nfs/dbraw/zinc/01/69/82/1012016982.db2.gz NNODYYDQNJZQLS-AMIZOPFISA-N -1 1 320.191 3.818 20 0 DHADMM CCOC(=O)c1sc(/C=C/c2cc([O-])cc(F)c2)nc1C ZINC000349055367 1012466455 /nfs/dbraw/zinc/46/64/55/1012466455.db2.gz RPLMWHCGPWSSQU-SNAWJCMRSA-N -1 1 307.346 3.643 20 0 DHADMM O=C(c1ccc([O-])cc1F)N(C1CC1)[C@H]1CCc2ccccc21 ZINC001625806759 1012602914 /nfs/dbraw/zinc/60/29/14/1012602914.db2.gz ATWFNOAPTZGYGW-SFHVURJKSA-N -1 1 311.356 3.823 20 0 DHADMM O=C(c1cncc([O-])c1)N(Cc1ccc2ccccc2c1)C1CC1 ZINC000339814839 1012889989 /nfs/dbraw/zinc/88/99/89/1012889989.db2.gz QLKZRIMRHYRGCD-UHFFFAOYSA-N -1 1 318.376 3.745 20 0 DHADMM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1cncs1 ZINC000339846791 1012925897 /nfs/dbraw/zinc/92/58/97/1012925897.db2.gz KZPONMHTUSOREL-UHFFFAOYSA-N -1 1 322.802 3.567 20 0 DHADMM CCCc1nc(CSc2nc(CC)c(C)c(=O)[n-]2)cs1 ZINC000563442126 1017195500 /nfs/dbraw/zinc/19/55/00/1017195500.db2.gz WZRULWOIFHWETI-UHFFFAOYSA-N -1 1 309.460 3.754 20 0 DHADMM Cc1sc2[n-]c(-c3ccon3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000074797466 1017269359 /nfs/dbraw/zinc/26/93/59/1017269359.db2.gz MNGFEWKZOOFOLI-UHFFFAOYSA-N -1 1 323.377 3.923 20 0 DHADMM [O-]c1ccc(-c2noc(CSc3ccncc3)n2)c(Cl)c1 ZINC000350811664 1017336092 /nfs/dbraw/zinc/33/60/92/1017336092.db2.gz CUUGPXVAEZDSPA-UHFFFAOYSA-N -1 1 319.773 3.783 20 0 DHADMM O=c1[nH]c(-c2nc(-c3ccc([O-])c(F)c3)no2)cc2ccccc21 ZINC000350823422 1017339724 /nfs/dbraw/zinc/33/97/24/1017339724.db2.gz MEVMSBWWHAYLPX-UHFFFAOYSA-N -1 1 323.283 3.502 20 0 DHADMM Cc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c1F ZINC000180507639 1017470500 /nfs/dbraw/zinc/47/05/00/1017470500.db2.gz KMDJQRGAOUIPIC-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM O=C([N-]c1cnoc1)c1cnc(-c2ccccc2Cl)s1 ZINC000623938964 1017598076 /nfs/dbraw/zinc/59/80/76/1017598076.db2.gz WONGIQYXVPNNTA-UHFFFAOYSA-N -1 1 305.746 3.704 20 0 DHADMM Cc1ccc(/C=C/c2nc(-c3ccc([O-])cc3Cl)no2)cn1 ZINC000445444901 1017863221 /nfs/dbraw/zinc/86/32/21/1017863221.db2.gz HQQYPLSMUYCPDD-QPJJXVBHSA-N -1 1 313.744 3.969 20 0 DHADMM C[C@H](Oc1ccccc1F)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445470203 1017867714 /nfs/dbraw/zinc/86/77/14/1017867714.db2.gz DILAXXOFVRVBEE-VIFPVBQESA-N -1 1 318.279 3.860 20 0 DHADMM [O-]c1ccc(-c2noc(-c3ccnc4ccccc43)n2)cc1F ZINC000445478416 1017876050 /nfs/dbraw/zinc/87/60/50/1017876050.db2.gz DXCDGLOAWVMYKO-UHFFFAOYSA-N -1 1 307.284 3.797 20 0 DHADMM [O-]c1ccc(-c2noc(Cn3ccc4ccccc43)n2)cc1F ZINC000445482413 1017876859 /nfs/dbraw/zinc/87/68/59/1017876859.db2.gz PKBLYNGGWLTEEY-UHFFFAOYSA-N -1 1 309.300 3.584 20 0 DHADMM CC[C@H](C)Oc1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000674266434 1017925275 /nfs/dbraw/zinc/92/52/75/1017925275.db2.gz KDUTYOQCINTEQD-NSHDSACASA-N -1 1 303.333 3.961 20 0 DHADMM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000033771141 1017926859 /nfs/dbraw/zinc/92/68/59/1017926859.db2.gz UXKBNUDLZKTASG-ZCFIWIBFSA-N -1 1 302.248 3.522 20 0 DHADMM CCOC(=O)Cc1cccc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001212527458 1018229399 /nfs/dbraw/zinc/22/93/99/1018229399.db2.gz QELNHTHCUZAZMK-UHFFFAOYSA-N -1 1 307.296 3.520 20 0 DHADMM Cc1[n-][nH]c(=O)c1NC(=O)C1(Cc2cccs2)CCCCC1 ZINC000615221362 1018293726 /nfs/dbraw/zinc/29/37/26/1018293726.db2.gz ZTMVTUQTRITCCO-UHFFFAOYSA-N -1 1 319.430 3.617 20 0 DHADMM COc1cc(C)cc([N-]S(=O)(=O)c2cc(C)cc(F)c2)c1C ZINC000447272580 1018359411 /nfs/dbraw/zinc/35/94/11/1018359411.db2.gz DPRRSFOLASMEFI-UHFFFAOYSA-N -1 1 323.389 3.560 20 0 DHADMM O=C(NCCCc1ccc(Cl)cc1)c1ccc([O-])c(F)c1 ZINC000681037206 1018391750 /nfs/dbraw/zinc/39/17/50/1018391750.db2.gz ACVIFLKGOBQVRJ-UHFFFAOYSA-N -1 1 307.752 3.547 20 0 DHADMM Cc1cc(F)c(-c2noc(-c3cc([O-])cnc3Cl)n2)cc1F ZINC001213698008 1018499523 /nfs/dbraw/zinc/49/95/23/1018499523.db2.gz KBRVTZWWCPFBED-UHFFFAOYSA-N -1 1 323.686 3.744 20 0 DHADMM CCOc1cc(C(=O)NCC[C@H]2CC=CCC2)cc(Cl)c1[O-] ZINC001171558263 1032778867 /nfs/dbraw/zinc/77/88/67/1032778867.db2.gz ZHJJKOXOZOGCSX-LBPRGKRZSA-N -1 1 323.820 3.921 20 0 DHADMM O=C([O-])C[C@H](NCc1ccsc1Cl)c1cccs1 ZINC000312624005 1018809582 /nfs/dbraw/zinc/80/95/82/1018809582.db2.gz MPQVEVPFKDKDBZ-VIFPVBQESA-N -1 1 301.820 3.769 20 0 DHADMM O=C(c1cncc([O-])c1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000133833825 1018951048 /nfs/dbraw/zinc/95/10/48/1018951048.db2.gz RJJPKGKBPYQZIV-SFHVURJKSA-N -1 1 321.380 3.636 20 0 DHADMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc2c(c1)CCC2 ZINC000007402499 1019026461 /nfs/dbraw/zinc/02/64/61/1019026461.db2.gz VISAEVGUKAOVHJ-UHFFFAOYSA-N -1 1 307.802 3.630 20 0 DHADMM CCc1ccc(OCC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000111668017 1019048647 /nfs/dbraw/zinc/04/86/47/1019048647.db2.gz NCXLAKWJVZGUAO-UHFFFAOYSA-N -1 1 305.761 3.626 20 0 DHADMM O=C(Nc1csc(-c2ccccc2)n1)c1ccc([O-])c(F)c1 ZINC000672333520 1019149174 /nfs/dbraw/zinc/14/91/74/1019149174.db2.gz PEHANZYSBWZGBR-UHFFFAOYSA-N -1 1 314.341 3.907 20 0 DHADMM Cc1cn(-c2ccccc2)nc1NCc1cccc([O-])c1Cl ZINC000645166245 1019166139 /nfs/dbraw/zinc/16/61/39/1019166139.db2.gz CVTRJKGILNQYCX-UHFFFAOYSA-N -1 1 313.788 4.152 20 0 DHADMM C[C@@H](c1ccc(Cl)cc1Cl)N1CC[C@H](CNC(=O)[O-])C1 ZINC000739050514 1019365145 /nfs/dbraw/zinc/36/51/45/1019365145.db2.gz AHHJGNCZFGNKPP-VHSXEESVSA-N -1 1 317.216 3.644 20 0 DHADMM CC(C)(CNC(=O)c1cc(Cl)ccc1[O-])c1cccs1 ZINC000083599920 1032830852 /nfs/dbraw/zinc/83/08/52/1032830852.db2.gz XULQHCFMBJMMSI-UHFFFAOYSA-N -1 1 309.818 3.815 20 0 DHADMM Cc1cc(NC(=O)C(=O)c2ccc([O-])cc2)cc(C(F)(F)F)c1 ZINC000673132507 1019597635 /nfs/dbraw/zinc/59/76/35/1019597635.db2.gz ZSCYWLGAELTYIZ-UHFFFAOYSA-N -1 1 323.270 3.541 20 0 DHADMM CC(=O)c1cc(F)c([N-]C(=O)c2coc(C(C)(C)C)n2)c(F)c1 ZINC000875499740 1032847541 /nfs/dbraw/zinc/84/75/41/1032847541.db2.gz LSSNCNXDPLSYRU-UHFFFAOYSA-N -1 1 322.311 3.705 20 0 DHADMM C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2)CC[C@@H]1C(=O)[O-] ZINC000311609974 1019695098 /nfs/dbraw/zinc/69/50/98/1019695098.db2.gz QESNFIGWBAYSPJ-ZANVPECISA-N -1 1 302.201 3.536 20 0 DHADMM O=C(N[C@H]1CCc2ccc(F)cc21)c1c([O-])cccc1Cl ZINC000730287623 1019968190 /nfs/dbraw/zinc/96/81/90/1019968190.db2.gz WDSMMZTUZWTDCH-ZDUSSCGKSA-N -1 1 305.736 3.602 20 0 DHADMM Cc1nc(COC(=O)c2ccc(Cl)c(Cl)c2[O-])oc1C ZINC000730360478 1019979628 /nfs/dbraw/zinc/97/96/28/1019979628.db2.gz HXFIPAGAIVDUHF-UHFFFAOYSA-N -1 1 316.140 3.661 20 0 DHADMM COc1ccc2nc(-c3ccc(Cl)cc3Cl)[n-]c(=O)c2c1 ZINC000069579267 1019997078 /nfs/dbraw/zinc/99/70/78/1019997078.db2.gz PMIHFSCIYJJSMZ-UHFFFAOYSA-N -1 1 321.163 3.906 20 0 DHADMM O=C(CCOCC1CC1)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000628233389 1020060428 /nfs/dbraw/zinc/06/04/28/1020060428.db2.gz ZJGHRMISTVUEHX-UHFFFAOYSA-N -1 1 319.788 3.954 20 0 DHADMM [O-]c1cccc(CN[C@H]2c3ccccc3OC[C@@H]2F)c1Cl ZINC000922521938 1020111798 /nfs/dbraw/zinc/11/17/98/1020111798.db2.gz OKFMQPYIZDXPFE-LRDDRELGSA-N -1 1 307.752 3.607 20 0 DHADMM O=C(/C=C/c1ccc2[nH]ccc2c1)Nc1cc(F)cc(F)c1[O-] ZINC001626858405 1020146793 /nfs/dbraw/zinc/14/67/93/1020146793.db2.gz OIBIAWAZCIMDGD-DUXPYHPUSA-N -1 1 314.291 3.804 20 0 DHADMM CCN(CCC1CC1)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000338867909 1020179976 /nfs/dbraw/zinc/17/99/76/1020179976.db2.gz GKMVEEFKRYNBQO-UHFFFAOYSA-N -1 1 318.804 3.856 20 0 DHADMM CCc1nc([C@H](C)NC(=O)c2c([O-])cccc2Cl)cs1 ZINC000732302501 1020223172 /nfs/dbraw/zinc/22/31/72/1020223172.db2.gz HZMIYFZBEUVHFA-QMMMGPOBSA-N -1 1 310.806 3.556 20 0 DHADMM O=c1nc(N[C@@H]2CCC[C@@H]2Cc2ccccc2)cc(Cl)[n-]1 ZINC000858417019 1032886249 /nfs/dbraw/zinc/88/62/49/1032886249.db2.gz KZPATQXMAMXCON-CHWSQXEVSA-N -1 1 303.793 3.659 20 0 DHADMM CCS[C@@H]1CCCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000732579518 1020258932 /nfs/dbraw/zinc/25/89/32/1020258932.db2.gz IBLDIJYGPQOSCF-LLVKDONJSA-N -1 1 313.850 3.793 20 0 DHADMM CC(C)(CNC(=O)c1c([O-])cccc1Cl)c1ccc(F)cc1 ZINC000728609438 1020443952 /nfs/dbraw/zinc/44/39/52/1020443952.db2.gz DWYHDLISSKKMBS-UHFFFAOYSA-N -1 1 321.779 3.892 20 0 DHADMM O=c1nc(NCCCCCc2ccc(F)cc2)cc(Cl)[n-]1 ZINC000858490773 1032916549 /nfs/dbraw/zinc/91/65/49/1032916549.db2.gz OEEBDZQWHRDFQY-UHFFFAOYSA-N -1 1 309.772 3.800 20 0 DHADMM O=c1nc(N[C@H]2CC[C@@H](c3cccc(F)c3)C2)cc(Cl)[n-]1 ZINC000858524022 1032931797 /nfs/dbraw/zinc/93/17/97/1032931797.db2.gz BQWFEQZRJJJBFM-PWSUYJOCSA-N -1 1 307.756 3.723 20 0 DHADMM CC(C)[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccccn1 ZINC000736508570 1020819532 /nfs/dbraw/zinc/81/95/32/1020819532.db2.gz XTNZEQMAGNKJHG-HNNXBMFYSA-N -1 1 304.777 3.568 20 0 DHADMM CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccccn1 ZINC000736508571 1020820152 /nfs/dbraw/zinc/82/01/52/1020820152.db2.gz XTNZEQMAGNKJHG-OAHLLOKOSA-N -1 1 304.777 3.568 20 0 DHADMM CC(C)CCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000740921512 1020964574 /nfs/dbraw/zinc/96/45/74/1020964574.db2.gz RNLSNBRDBAAQCR-UHFFFAOYSA-N -1 1 322.405 3.515 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@](F)(c2ccccc2)C1 ZINC001171939254 1032943841 /nfs/dbraw/zinc/94/38/41/1032943841.db2.gz VLUAAIDGFIFHGF-SFHVURJKSA-N -1 1 317.335 3.632 20 0 DHADMM Cc1cc(N2CCCC2)ccc1NC(=O)c1cc(F)ccc1[O-] ZINC000175184538 1021026982 /nfs/dbraw/zinc/02/69/82/1021026982.db2.gz TVNDWCRJURTGBW-UHFFFAOYSA-N -1 1 314.360 3.692 20 0 DHADMM C[C@H]1C[C@H]2CN(Cc3cc(Cl)c([O-])c(Cl)c3)CC[C@H]2O1 ZINC001140830851 1021097713 /nfs/dbraw/zinc/09/77/13/1021097713.db2.gz HBFBNRFMBBGPCN-NURSFMCSSA-N -1 1 316.228 3.698 20 0 DHADMM CCc1cccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000007057483 1021345894 /nfs/dbraw/zinc/34/58/94/1021345894.db2.gz FEOVFZDHFLUVLU-UHFFFAOYSA-N -1 1 313.781 3.842 20 0 DHADMM O=c1cc(C(F)F)nc(SC[C@H]2CCC3(CCC3)CO2)[n-]1 ZINC000917745594 1021356357 /nfs/dbraw/zinc/35/63/57/1021356357.db2.gz DWYYXEFYHOFPLV-SECBINFHSA-N -1 1 316.373 3.561 20 0 DHADMM C[C@@H](COc1ccccc1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000917773458 1021359197 /nfs/dbraw/zinc/35/91/97/1021359197.db2.gz OMFNJJSNLSXDTB-AWEZNQCLSA-N -1 1 321.376 3.743 20 0 DHADMM Cc1nc(CSc2ncc(C)c(=O)[n-]2)sc1C(C)(C)C ZINC000917777588 1021360581 /nfs/dbraw/zinc/36/05/81/1021360581.db2.gz KAPZTPSWIMWGFR-UHFFFAOYSA-N -1 1 309.460 3.845 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1sccc1OC(F)F ZINC000129528546 1021505391 /nfs/dbraw/zinc/50/53/91/1021505391.db2.gz NJXILWGVKBHRFB-UHFFFAOYSA-N -1 1 319.716 3.961 20 0 DHADMM COc1ccc(NC(=O)c2ccc([O-])cc2F)cc1OC(C)C ZINC000129572690 1021512621 /nfs/dbraw/zinc/51/26/21/1021512621.db2.gz IJTWOOLBMIGUQH-UHFFFAOYSA-N -1 1 319.332 3.579 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cccc(Cl)c2)c1 ZINC000744483059 1021558507 /nfs/dbraw/zinc/55/85/07/1021558507.db2.gz DVHDKYZSNGXPEZ-UHFFFAOYSA-N -1 1 318.756 3.648 20 0 DHADMM O=C(CCC1CCCC1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000007483783 1021624325 /nfs/dbraw/zinc/62/43/25/1021624325.db2.gz DKBWGXVYXFLCSD-UHFFFAOYSA-N -1 1 316.353 3.512 20 0 DHADMM O=C(Nc1cc(Cl)ccc1[O-])C(=O)c1ccc(Cl)cc1 ZINC000170727095 1021639981 /nfs/dbraw/zinc/63/99/81/1021639981.db2.gz MLAUSYTZGXQVIX-UHFFFAOYSA-N -1 1 310.136 3.520 20 0 DHADMM CC[C@@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccccc1 ZINC000613668070 1021672429 /nfs/dbraw/zinc/67/24/29/1021672429.db2.gz REQTZKXMQBGAGQ-MRXNPFEDSA-N -1 1 321.380 3.915 20 0 DHADMM CCOc1ccccc1[C@@H](CC(C)C)[N-]C(=O)C(F)(F)F ZINC000746361588 1022043379 /nfs/dbraw/zinc/04/33/79/1022043379.db2.gz RQPDYUFYLOWGRQ-GFCCVEGCSA-N -1 1 303.324 3.851 20 0 DHADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000263488799 1022062338 /nfs/dbraw/zinc/06/23/38/1022062338.db2.gz IBNUSXUCAACBFE-MWLCHTKSSA-N -1 1 319.298 3.530 20 0 DHADMM CCCOc1ccc(CNC(=O)c2c([O-])cccc2Cl)cc1 ZINC000920454662 1022123836 /nfs/dbraw/zinc/12/38/36/1022123836.db2.gz UUTVNJKMPYTCBD-UHFFFAOYSA-N -1 1 319.788 3.764 20 0 DHADMM C[C@H](CNC(=O)c1c([O-])cccc1Cl)c1ccc(F)cc1 ZINC000920463181 1022123936 /nfs/dbraw/zinc/12/39/36/1022123936.db2.gz AKNHVRIMOIDQFT-SNVBAGLBSA-N -1 1 307.752 3.718 20 0 DHADMM C[C@H](Cc1ccccc1F)NC(=O)c1c([O-])cccc1Cl ZINC000920460205 1022123967 /nfs/dbraw/zinc/12/39/67/1022123967.db2.gz BOFZPGGLNFVPOZ-SNVBAGLBSA-N -1 1 307.752 3.546 20 0 DHADMM COc1ccc(C)cc1[C@@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000920430079 1022126139 /nfs/dbraw/zinc/12/61/39/1022126139.db2.gz MEOLQUNROIEOMK-LLVKDONJSA-N -1 1 319.788 3.854 20 0 DHADMM O=C(NC1CCC(C2CCC2)CC1)c1c(F)ccc([O-])c1F ZINC000620475580 1022161347 /nfs/dbraw/zinc/16/13/47/1022161347.db2.gz WLHWDYMUGQQTQC-UHFFFAOYSA-N -1 1 309.356 3.759 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)C1(C(F)(F)F)CCCC1 ZINC000416240345 1022207759 /nfs/dbraw/zinc/20/77/59/1022207759.db2.gz BHAITBSAZWVHKT-UHFFFAOYSA-N -1 1 309.234 3.732 20 0 DHADMM COC(=O)c1c(C)cc(Nc2c([O-])cc(F)cc2F)cc1C ZINC001213122784 1022216496 /nfs/dbraw/zinc/21/64/96/1022216496.db2.gz COKOKCRARKZRHV-UHFFFAOYSA-N -1 1 307.296 3.817 20 0 DHADMM COc1cc(C(=O)NCc2ccc(C)cc2C)cc(Cl)c1[O-] ZINC000153548768 1022221373 /nfs/dbraw/zinc/22/13/73/1022221373.db2.gz LKRQXEVYRBUQIQ-UHFFFAOYSA-N -1 1 319.788 3.601 20 0 DHADMM C[C@H](NC(=O)c1ccc([O-])cc1F)C(C)(C)c1ccccc1 ZINC000154860006 1022340446 /nfs/dbraw/zinc/34/04/46/1022340446.db2.gz RDBIUHKDOYMLPD-LBPRGKRZSA-N -1 1 301.361 3.627 20 0 DHADMM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)[C@@H](C)c1ccccc1 ZINC000538387792 1033047813 /nfs/dbraw/zinc/04/78/13/1033047813.db2.gz WQPRQQVGOBTECG-GHMZBOCLSA-N -1 1 305.324 3.592 20 0 DHADMM CC[C@@H](OC1CCCC1)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885675920 1022447346 /nfs/dbraw/zinc/44/73/46/1022447346.db2.gz FOAVTGJPVBKDAL-CQSZACIVSA-N -1 1 315.772 3.861 20 0 DHADMM O=C(C[C@H]1CCC2(CCC2)O1)Nc1cc(F)c([O-])cc1Cl ZINC000885680520 1022481016 /nfs/dbraw/zinc/48/10/16/1022481016.db2.gz SYAIACLRKLKKTR-SECBINFHSA-N -1 1 313.756 3.615 20 0 DHADMM O=C([N-]c1nc(-c2ccc(F)cc2)ns1)c1ccc(Cl)o1 ZINC000112594961 1022517691 /nfs/dbraw/zinc/51/76/91/1022517691.db2.gz LOXSZHWVQSKJCG-UHFFFAOYSA-N -1 1 323.736 3.843 20 0 DHADMM O=C(Nc1ccc2c(c1)[C@H](O)CCCC2)c1ccc([O-])cc1F ZINC000855549334 1022650009 /nfs/dbraw/zinc/65/00/09/1022650009.db2.gz AZTABOHTEMIURM-QGZVFWFLSA-N -1 1 315.344 3.543 20 0 DHADMM C[C@H]1CCC(C)(C)N1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000616165131 1022653813 /nfs/dbraw/zinc/65/38/13/1022653813.db2.gz NEUSACQUOKXYJU-VIFPVBQESA-N -1 1 301.308 3.814 20 0 DHADMM O=C(Nc1ccc(Cl)c2ncccc12)c1ccc([O-])c(F)c1 ZINC000767294080 1022682432 /nfs/dbraw/zinc/68/24/32/1022682432.db2.gz QNJBGCSGESTWMC-UHFFFAOYSA-N -1 1 316.719 3.985 20 0 DHADMM O=C(Nc1cccnc1Oc1ccccc1)c1ccc([O-])c(F)c1 ZINC000767296469 1022683782 /nfs/dbraw/zinc/68/37/82/1022683782.db2.gz KQOWEQBSBCCKGP-UHFFFAOYSA-N -1 1 324.311 3.971 20 0 DHADMM CN(C(=O)c1cncc([O-])c1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000616328723 1022691247 /nfs/dbraw/zinc/69/12/47/1022691247.db2.gz NVGNRPMJLSYARR-ROUUACIJSA-N -1 1 310.397 3.586 20 0 DHADMM CC(C)S(=O)(=O)c1ccccc1-c1cccc(Cl)c1[O-] ZINC001242364879 1022730559 /nfs/dbraw/zinc/73/05/59/1022730559.db2.gz UPXRPXBMXOWYMI-UHFFFAOYSA-N -1 1 310.802 3.895 20 0 DHADMM O=C(OCCC(Cl)(Cl)Cl)c1c([O-])cc(F)cc1F ZINC000767523291 1022734290 /nfs/dbraw/zinc/73/42/90/1022734290.db2.gz DMGXDHJEZNSFFS-UHFFFAOYSA-N -1 1 319.518 3.588 20 0 DHADMM CCc1nc(CNCc2ccc(C3CC3)cc2)ccc1C(=O)[O-] ZINC000417576078 1022791944 /nfs/dbraw/zinc/79/19/44/1022791944.db2.gz ZAORZUCXANRHQC-UHFFFAOYSA-N -1 1 310.397 3.509 20 0 DHADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@H](c2ccccc2)CC1 ZINC000767940074 1022846748 /nfs/dbraw/zinc/84/67/48/1022846748.db2.gz MLTWUVFZWYUCTG-HNNXBMFYSA-N -1 1 313.372 3.941 20 0 DHADMM CSC[C@H]1CCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000294631412 1022985014 /nfs/dbraw/zinc/98/50/14/1022985014.db2.gz LILPJYWZVVAYEJ-ZDUSSCGKSA-N -1 1 315.438 3.761 20 0 DHADMM CCC1(CC)CN(C(=O)c2c([O-])cccc2Cl)CCS1 ZINC000768540640 1022985340 /nfs/dbraw/zinc/98/53/40/1022985340.db2.gz XMDPOGJGCFVHRN-UHFFFAOYSA-N -1 1 313.850 3.793 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C[C@H]2CCC[C@H]2C)c1 ZINC000769173139 1023097345 /nfs/dbraw/zinc/09/73/45/1023097345.db2.gz CBEYEHHRWOESDY-TZMCWYRMSA-N -1 1 304.386 3.507 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C[C@@H]2CCC[C@H]2C)c1 ZINC000769173137 1023097639 /nfs/dbraw/zinc/09/76/39/1023097639.db2.gz CBEYEHHRWOESDY-OCCSQVGLSA-N -1 1 304.386 3.507 20 0 DHADMM O=C([N-]CCCSCc1cccc(Cl)c1)C(F)(F)F ZINC000769341304 1023128576 /nfs/dbraw/zinc/12/85/76/1023128576.db2.gz XJAADWHZTXKSOY-UHFFFAOYSA-N -1 1 311.756 3.642 20 0 DHADMM C[C@H]1c2ccsc2CCN1C(=O)c1c([O-])cccc1Cl ZINC000769629250 1023183831 /nfs/dbraw/zinc/18/38/31/1023183831.db2.gz UXRASMGLGXXXSX-VIFPVBQESA-N -1 1 307.802 3.867 20 0 DHADMM COc1ccc([C@H](C)N(C)C(=O)c2c([O-])cccc2Cl)cc1 ZINC000769649961 1023191124 /nfs/dbraw/zinc/19/11/24/1023191124.db2.gz AAFYGXMCLFYPIS-NSHDSACASA-N -1 1 319.788 3.887 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N(CC1CCC1)CC(F)(F)F ZINC000769951684 1023243228 /nfs/dbraw/zinc/24/32/28/1023243228.db2.gz CBCQKKCMUQIVBP-UHFFFAOYSA-N -1 1 321.726 3.850 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000769962878 1023247336 /nfs/dbraw/zinc/24/73/36/1023247336.db2.gz VQNIDMSQUVFLGI-WCQYABFASA-N -1 1 311.834 3.546 20 0 DHADMM O=S(=O)([N-]c1ccc(C2CC2)cc1)c1cccc2ncccc21 ZINC000771605830 1023454657 /nfs/dbraw/zinc/45/46/57/1023454657.db2.gz RTYGZEYJMBPNAN-UHFFFAOYSA-N -1 1 324.405 3.913 20 0 DHADMM CC(=O)c1ccc(C(=O)[N-]c2nnc(C3CCCCC3)s2)o1 ZINC000772147895 1023523536 /nfs/dbraw/zinc/52/35/36/1023523536.db2.gz FQSPILHDVQOKNX-UHFFFAOYSA-N -1 1 319.386 3.634 20 0 DHADMM C[C@H]1c2ccccc2CN1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000746668720 1023783275 /nfs/dbraw/zinc/78/32/75/1023783275.db2.gz APEGUHGSFRIJQO-LBPRGKRZSA-N -1 1 307.349 3.575 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)s1 ZINC000048652750 1023801269 /nfs/dbraw/zinc/80/12/69/1023801269.db2.gz LDQUYRLPGYZIRA-UHFFFAOYSA-N -1 1 321.345 3.529 20 0 DHADMM Cc1onc(OC(F)F)c1[N-]C(=O)c1cc2ccccc2o1 ZINC000788111885 1023856858 /nfs/dbraw/zinc/85/68/58/1023856858.db2.gz NEIFTGKRVNEKSJ-UHFFFAOYSA-N -1 1 308.240 3.583 20 0 DHADMM Cc1oc([C@H](C)N(C)Cc2ccc(F)c(C)c2)cc1C(=O)[O-] ZINC000652446471 1023870398 /nfs/dbraw/zinc/87/03/98/1023870398.db2.gz FRKDGBTXFANKRT-NSHDSACASA-N -1 1 305.349 3.927 20 0 DHADMM C[C@@H]1CN(Cc2csc(C3CCCCC3)n2)CC[C@H]1C(=O)[O-] ZINC000652497122 1023901003 /nfs/dbraw/zinc/90/10/03/1023901003.db2.gz LVXKMYUMLBACPA-IUODEOHRSA-N -1 1 322.474 3.733 20 0 DHADMM CN(Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)C[C@H]1CC1(C)C ZINC000663316822 1024089225 /nfs/dbraw/zinc/08/92/25/1024089225.db2.gz HPHKBFXKDPRRGM-CQSZACIVSA-N -1 1 314.385 3.518 20 0 DHADMM C[C@@H](CC(=O)Nc1nc(Cl)ccc1[O-])c1cccc(F)c1 ZINC000789930211 1024183768 /nfs/dbraw/zinc/18/37/68/1024183768.db2.gz JBPARCVJSWVQGS-VIFPVBQESA-N -1 1 308.740 3.712 20 0 DHADMM Cc1cc(C(=O)Nc2nc(Cl)ccc2[O-])c2ccccc2n1 ZINC000789929958 1024183785 /nfs/dbraw/zinc/18/37/85/1024183785.db2.gz JAOZKFKIYTXWHQ-UHFFFAOYSA-N -1 1 313.744 3.550 20 0 DHADMM C[C@@H](OC1CCCCCC1)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000789930602 1024185005 /nfs/dbraw/zinc/18/50/05/1024185005.db2.gz ZSUPTVQMFKUYSN-SNVBAGLBSA-N -1 1 312.797 3.507 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])C12CC(c3ccccc3)(C1)C2 ZINC000790048864 1024213706 /nfs/dbraw/zinc/21/37/06/1024213706.db2.gz ZNAQRIRRPZPOCC-UHFFFAOYSA-N -1 1 314.772 3.501 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N1CC[C@@H](c2ccccc2)C1 ZINC000746890438 1024265616 /nfs/dbraw/zinc/26/56/16/1024265616.db2.gz NLOKXOPBIWPQTB-CYBMUJFWSA-N -1 1 301.773 3.675 20 0 DHADMM CCn1c2ccccc2nc1SCC(=O)c1ccc([O-])cc1 ZINC000007092700 1024344398 /nfs/dbraw/zinc/34/43/98/1024344398.db2.gz URVBCOGEBDLIIY-UHFFFAOYSA-N -1 1 312.394 3.737 20 0 DHADMM CCOc1cc(O)ccc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000791146422 1024445729 /nfs/dbraw/zinc/44/57/29/1024445729.db2.gz TVBWTMZUJUGVRA-UHFFFAOYSA-N -1 1 315.369 3.872 20 0 DHADMM CCO[C@H](CNC(=O)c1c([O-])cccc1Cl)c1ccccc1 ZINC000772771711 1024476682 /nfs/dbraw/zinc/47/66/82/1024476682.db2.gz FBQXUHLLIJQVTM-OAHLLOKOSA-N -1 1 319.788 3.553 20 0 DHADMM CC[C@@H](C)n1ncc(NC(=O)c2cc(SC)ccc2[O-])c1C ZINC000613940475 1024595057 /nfs/dbraw/zinc/59/50/57/1024595057.db2.gz IZZVSRGMLLBRPF-SNVBAGLBSA-N -1 1 319.430 3.842 20 0 DHADMM CC(C)c1cccnc1[N-]S(=O)(=O)/C=C/c1ccccc1F ZINC000800041096 1024680394 /nfs/dbraw/zinc/68/03/94/1024680394.db2.gz IMJDPPZAZCAEIB-PKNBQFBNSA-N -1 1 320.389 3.757 20 0 DHADMM Cc1ccc(-c2nc(C(=O)[N-]c3nncs3)cs2)c(C)c1 ZINC000063917028 1024784278 /nfs/dbraw/zinc/78/42/78/1024784278.db2.gz TWJQVXIKKCTNIO-UHFFFAOYSA-N -1 1 316.411 3.531 20 0 DHADMM CC[C@@H](c1cccc(OC)c1)N(C)Cc1cc(C(=O)[O-])co1 ZINC000859803937 1033236763 /nfs/dbraw/zinc/23/67/63/1033236763.db2.gz JMGBMXUTOQBBFX-INIZCTEOSA-N -1 1 303.358 3.570 20 0 DHADMM Cc1cc(NCc2cccc([O-])c2Cl)ccc1C(=O)N(C)C ZINC000353215662 1024985708 /nfs/dbraw/zinc/98/57/08/1024985708.db2.gz CHSMJWJWHFZOIT-UHFFFAOYSA-N -1 1 318.804 3.668 20 0 DHADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1cccc(Cl)c1Cl ZINC000263527796 1025069416 /nfs/dbraw/zinc/06/94/16/1025069416.db2.gz UWKFZWXAZYHDBM-KOLCDFICSA-N -1 1 302.201 3.679 20 0 DHADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1cccc(Cl)c1Cl ZINC000263527797 1025070888 /nfs/dbraw/zinc/07/08/88/1025070888.db2.gz UWKFZWXAZYHDBM-MWLCHTKSSA-N -1 1 302.201 3.679 20 0 DHADMM COc1ncc(Nc2cc([O-])c(F)c(F)c2)cc1C(F)(F)F ZINC001212801764 1025256844 /nfs/dbraw/zinc/25/68/44/1025256844.db2.gz KQGOIJBYEMKNAA-UHFFFAOYSA-N -1 1 320.217 3.836 20 0 DHADMM N#Cc1c([N-]C(=O)c2nc3ccccc3o2)sc2c1CCC2 ZINC000010061979 1025294023 /nfs/dbraw/zinc/29/40/23/1025294023.db2.gz RDUTVWSDRGPVNC-UHFFFAOYSA-N -1 1 309.350 3.502 20 0 DHADMM Cc1[nH]nc(C(C)C)c1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885676285 1025379407 /nfs/dbraw/zinc/37/94/07/1025379407.db2.gz LTDXQGLZGONLIM-UHFFFAOYSA-N -1 1 311.744 3.592 20 0 DHADMM Cc1n[nH]c(C(C)C)c1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885676285 1025379420 /nfs/dbraw/zinc/37/94/20/1025379420.db2.gz LTDXQGLZGONLIM-UHFFFAOYSA-N -1 1 311.744 3.592 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1ccnn1C1CCCC1 ZINC000885676134 1025379688 /nfs/dbraw/zinc/37/96/88/1025379688.db2.gz JNKJSYPNJUYFST-UHFFFAOYSA-N -1 1 323.755 3.749 20 0 DHADMM O=C(C[C@@H]1CCCC1(F)F)Nc1cc(F)c([O-])cc1Cl ZINC000885682518 1025380305 /nfs/dbraw/zinc/38/03/05/1025380305.db2.gz QTKHIGMIEFTSPV-ZETCQYMHSA-N -1 1 307.699 3.949 20 0 DHADMM C[C@@H]1c2ccccc2CCN1C(=O)c1cc(Cl)ccc1[O-] ZINC001137225446 1025466262 /nfs/dbraw/zinc/46/62/62/1025466262.db2.gz PONIETNICOKRGM-LLVKDONJSA-N -1 1 301.773 3.805 20 0 DHADMM O=C(NCCc1c(F)cc([O-])cc1F)c1sccc1C1CC1 ZINC000886265104 1025573526 /nfs/dbraw/zinc/57/35/26/1025573526.db2.gz XYFPNQXWYQCVKF-UHFFFAOYSA-N -1 1 323.364 3.582 20 0 DHADMM COc1ccc(Nc2ccc(Cl)c(Cl)c2[O-])c(CO)c1 ZINC001211749634 1025821577 /nfs/dbraw/zinc/82/15/77/1025821577.db2.gz SVIADOHMMBRDRR-UHFFFAOYSA-N -1 1 314.168 3.944 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1c[nH]nc1-c1ccccc1 ZINC000135904955 1025852232 /nfs/dbraw/zinc/85/22/32/1025852232.db2.gz KRUUCMAIKQLKBB-UHFFFAOYSA-N -1 1 313.744 3.688 20 0 DHADMM Cc1nc2ccc(F)cn2c1Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001211962706 1025853067 /nfs/dbraw/zinc/85/30/67/1025853067.db2.gz MNYLFMRWEDFKHA-UHFFFAOYSA-N -1 1 319.723 3.877 20 0 DHADMM CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(F)c([O-])c2)C1(C)C ZINC001137233782 1026006046 /nfs/dbraw/zinc/00/60/46/1026006046.db2.gz BRQDYIXMAWSVKS-HZPDHXFCSA-N -1 1 323.408 3.587 20 0 DHADMM CCOc1cc(F)c(F)cc1Nc1ccnc(Cl)c1[O-] ZINC001211801001 1026042963 /nfs/dbraw/zinc/04/29/63/1026042963.db2.gz OODLZFUZJJZMGY-UHFFFAOYSA-N -1 1 300.692 3.861 20 0 DHADMM C[C@@H](SCCC[N-]C(=O)C(F)(F)F)c1ccc(F)cc1 ZINC000178804069 1026200968 /nfs/dbraw/zinc/20/09/68/1026200968.db2.gz BAGGESBBHWCMMI-SECBINFHSA-N -1 1 309.328 3.689 20 0 DHADMM O=C(NCc1ccc(C2CCC2)cc1)c1c(F)ccc([O-])c1F ZINC000290093051 1026313550 /nfs/dbraw/zinc/31/35/50/1026313550.db2.gz HCRAUZRPVDSXFR-UHFFFAOYSA-N -1 1 317.335 3.868 20 0 DHADMM Cc1ccc([C@@H]([N-]c2nnc(C3CC3)o2)c2ccccn2)cc1 ZINC000280602759 1026677872 /nfs/dbraw/zinc/67/78/72/1026677872.db2.gz XUTLZHLLGRQLGW-MRXNPFEDSA-N -1 1 306.369 3.852 20 0 DHADMM CCOC(=O)c1cc(-c2c(Cl)ccc([O-])c2F)cnc1F ZINC001244543097 1026768221 /nfs/dbraw/zinc/76/82/21/1026768221.db2.gz QZLIEBFWODSVFD-UHFFFAOYSA-N -1 1 313.687 3.563 20 0 DHADMM COC(=O)c1c(F)ccc(-c2c(Cl)ccc([O-])c2F)c1F ZINC001244542747 1026770799 /nfs/dbraw/zinc/77/07/99/1026770799.db2.gz LQXMDXFBMVUCED-UHFFFAOYSA-N -1 1 316.662 3.917 20 0 DHADMM O=C(Oc1ccc2c(c1)OCO2)c1cc2cc(Cl)sc2[n-]1 ZINC000810524091 1026773592 /nfs/dbraw/zinc/77/35/92/1026773592.db2.gz PQNPQVLMAQJBNH-UHFFFAOYSA-N -1 1 321.741 3.831 20 0 DHADMM Cc1noc(C(F)F)c1C(=O)[N-]c1c(F)cccc1Cl ZINC001268962422 1026795881 /nfs/dbraw/zinc/79/58/81/1026795881.db2.gz QGEOCHCXVWYXKF-UHFFFAOYSA-N -1 1 304.655 3.965 20 0 DHADMM CC(C)(C)[C@@H](NC(=O)c1c([O-])cccc1Cl)C(F)(F)F ZINC000769927196 1026945069 /nfs/dbraw/zinc/94/50/69/1026945069.db2.gz AOLHIDSJKHZRFH-LLVKDONJSA-N -1 1 309.715 3.752 20 0 DHADMM CCc1nc(CNCc2cccc(C3CC3)c2)ccc1C(=O)[O-] ZINC000421816469 1027064372 /nfs/dbraw/zinc/06/43/72/1027064372.db2.gz PSKHERRLSIDLHV-UHFFFAOYSA-N -1 1 310.397 3.509 20 0 DHADMM Cc1ccc(/C=C/S(=O)(=O)[N-]c2cc(C3CC3)ccn2)cc1 ZINC000811837937 1027099667 /nfs/dbraw/zinc/09/96/67/1027099667.db2.gz LIPOXQCRRNSGHQ-PKNBQFBNSA-N -1 1 314.410 3.680 20 0 DHADMM COc1ccc(N(CC(C)C)C(=O)c2ccc([O-])cc2F)cc1 ZINC000422069778 1027105838 /nfs/dbraw/zinc/10/58/38/1027105838.db2.gz HBXHEXXOTASZNF-UHFFFAOYSA-N -1 1 317.360 3.843 20 0 DHADMM COCc1cccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1 ZINC000295294446 1027183749 /nfs/dbraw/zinc/18/37/49/1027183749.db2.gz LUXWTHKZWYDQQR-UHFFFAOYSA-N -1 1 317.410 3.511 20 0 DHADMM C[C@H](C(=O)[N-]OC/C=C\Cl)c1ccc(C(F)(F)F)cc1 ZINC000812408928 1027285223 /nfs/dbraw/zinc/28/52/23/1027285223.db2.gz UTZZVXQSWNQODV-HKQQGCEUSA-N -1 1 307.699 3.609 20 0 DHADMM CCCC[C@H](C)N(C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000932052775 1027352327 /nfs/dbraw/zinc/35/23/27/1027352327.db2.gz DAJGNXNGDUJXPK-ZDUSSCGKSA-N -1 1 316.405 3.620 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CN1CCC[C@@H]1c1ccc(F)cc1 ZINC000576643584 1027642079 /nfs/dbraw/zinc/64/20/79/1027642079.db2.gz XAYNKTPFTFSWAQ-OAHLLOKOSA-N -1 1 303.333 3.762 20 0 DHADMM CCOc1cc(C(=O)NC2(C3CCC3)CCC2)cc(Cl)c1[O-] ZINC000576921178 1027680507 /nfs/dbraw/zinc/68/05/07/1027680507.db2.gz DSTSNYQFBCSXQK-UHFFFAOYSA-N -1 1 323.820 3.897 20 0 DHADMM CC1=C(c2ccco2)CN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000367723576 1027727100 /nfs/dbraw/zinc/72/71/00/1027727100.db2.gz SOYYBGJCZOAKFK-UHFFFAOYSA-N -1 1 319.307 3.583 20 0 DHADMM O=C(CCCCCc1ccc(F)cc1)[N-]OCC(F)(F)F ZINC000779000125 1027758063 /nfs/dbraw/zinc/75/80/63/1027758063.db2.gz SRCWFPSCLBRUKW-UHFFFAOYSA-N -1 1 307.287 3.539 20 0 DHADMM CC1CCC2(CCN(Cc3nc(=O)c4sccc4[n-]3)C2)CC1 ZINC000365260782 1027912772 /nfs/dbraw/zinc/91/27/72/1027912772.db2.gz UEOHVDMKAGIIJO-UHFFFAOYSA-N -1 1 317.458 3.799 20 0 DHADMM CC[C@@H](Sc1nc(C)c(C2CC2)c(=O)[n-]1)C(=O)OC(C)(C)C ZINC000601087886 1027980717 /nfs/dbraw/zinc/98/07/17/1027980717.db2.gz KFQHIPJINVUVND-LLVKDONJSA-N -1 1 324.446 3.580 20 0 DHADMM 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1031678222 /nfs/dbraw/zinc/67/82/22/1031678222.db2.gz JFJMYTYAELSDBS-UHFFFAOYSA-N -1 1 303.299 3.682 20 0 DHADMM CC[C@H](CC(F)(F)F)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000872970198 1031684819 /nfs/dbraw/zinc/68/48/19/1031684819.db2.gz SHIWYDYNPCAAET-SECBINFHSA-N -1 1 324.730 3.576 20 0 DHADMM CC[C@@H](CC(F)(F)F)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000872970199 1031685942 /nfs/dbraw/zinc/68/59/42/1031685942.db2.gz SHIWYDYNPCAAET-VIFPVBQESA-N -1 1 324.730 3.576 20 0 DHADMM [O-]c1cc(F)c(CN2CC=C(c3ccccc3)CC2)c(F)c1 ZINC001144558970 1031710849 /nfs/dbraw/zinc/71/08/49/1031710849.db2.gz HDHBASQFNFSHQR-UHFFFAOYSA-N -1 1 301.336 3.960 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCOc2ccccc2C1 ZINC000325044182 1031759383 /nfs/dbraw/zinc/75/93/83/1031759383.db2.gz QRBSMEONPQKGTA-UHFFFAOYSA-N -1 1 319.360 3.580 20 0 DHADMM CSc1cccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)c1 ZINC000476252631 1031774760 /nfs/dbraw/zinc/77/47/60/1031774760.db2.gz MEZCJFBKFSEHNC-UHFFFAOYSA-N -1 1 311.403 3.657 20 0 DHADMM CC(C)N(CC(=O)c1ccccc1)Cc1cc(F)c([O-])cc1F ZINC001144657753 1031795926 /nfs/dbraw/zinc/79/59/26/1031795926.db2.gz GWJILFYHUVGSGK-UHFFFAOYSA-N -1 1 319.351 3.764 20 0 DHADMM O=C(NCC1(c2ccccc2F)CCC1)c1ccc(F)c([O-])c1 ZINC001144788568 1031966448 /nfs/dbraw/zinc/96/64/48/1031966448.db2.gz XDTCYMGGKILWFJ-UHFFFAOYSA-N -1 1 317.335 3.522 20 0 DHADMM O=C([O-])c1ccccc1CNCc1cnc(C2CCCC2)s1 ZINC000874043649 1031967410 /nfs/dbraw/zinc/96/74/10/1031967410.db2.gz SHBRPVLERAJUNG-UHFFFAOYSA-N -1 1 316.426 3.789 20 0 DHADMM Cc1noc(C)c1[N-]C(=O)c1c(C)onc1-c1ccccc1C ZINC000361646941 1032036250 /nfs/dbraw/zinc/03/62/50/1032036250.db2.gz WTGFMAGXNJPUOC-UHFFFAOYSA-N -1 1 311.341 3.816 20 0 DHADMM O=C1N[C@H](c2cccc([O-])c2Cl)Nc2ccc(Cl)cc21 ZINC000877850806 1033485615 /nfs/dbraw/zinc/48/56/15/1033485615.db2.gz RDZSDPBRXQLUAG-CYBMUJFWSA-N -1 1 309.152 3.553 20 0 DHADMM O=C1N[C@@H](c2cccc([O-])c2Cl)Nc2ccc(Cl)cc21 ZINC000877850807 1033486474 /nfs/dbraw/zinc/48/64/74/1033486474.db2.gz RDZSDPBRXQLUAG-ZDUSSCGKSA-N -1 1 309.152 3.553 20 0 DHADMM Oc1ccccc1-c1nnc(C[N@H+]2CCC[C@@H]2c2ccccc2)o1 ZINC000877898397 1033502958 /nfs/dbraw/zinc/50/29/58/1033502958.db2.gz LANZURVVTXDYPY-MRXNPFEDSA-N -1 1 321.380 3.779 20 0 DHADMM CC(C)[C@@H]([NH2+]Cc1nnc(-c2ccccc2O)o1)c1ccccc1 ZINC000877928678 1033518055 /nfs/dbraw/zinc/51/80/55/1033518055.db2.gz DWWMWSCGUSZAIG-GOSISDBHSA-N -1 1 323.396 3.929 20 0 DHADMM O=C(Nc1c([O-])cc(Br)cc1Cl)C12CC(C1)C2 ZINC000861677866 1033705066 /nfs/dbraw/zinc/70/50/66/1033705066.db2.gz WTYQFEFIZSUZJX-UHFFFAOYSA-N -1 1 316.582 3.547 20 0 DHADMM Cc1nocc1Nc1cc(Br)cc(Cl)c1[O-] ZINC001212726478 1033721469 /nfs/dbraw/zinc/72/14/69/1033721469.db2.gz YSFPZPBVASNCIH-UHFFFAOYSA-N -1 1 303.543 3.848 20 0 DHADMM C[C@@H](NC(=O)c1cc(Cl)ccc1[O-])[C@@H](C)c1ccccc1 ZINC001137134200 1033759407 /nfs/dbraw/zinc/75/94/07/1033759407.db2.gz DWYCOHGVMHXJGS-VXGBXAGGSA-N -1 1 303.789 3.968 20 0 DHADMM O=C([N-]c1nc(C2CC2)no1)c1cc(Cl)cc(Cl)c1F ZINC000878868728 1033850656 /nfs/dbraw/zinc/85/06/56/1033850656.db2.gz VIHMFQVHDZCWOE-UHFFFAOYSA-N -1 1 316.119 3.645 20 0 DHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2c(C)cc(C)cc2C)c1 ZINC001173843642 1033877746 /nfs/dbraw/zinc/87/77/46/1033877746.db2.gz NZVKRENLFCNRDT-UHFFFAOYSA-N -1 1 319.426 3.855 20 0 DHADMM CCc1cc(Cl)cnc1[N-]S(=O)(=O)Cc1cccc(C)c1 ZINC000863450057 1034101156 /nfs/dbraw/zinc/10/11/56/1034101156.db2.gz CUXXWMJDJJFQGL-UHFFFAOYSA-N -1 1 324.833 3.548 20 0 DHADMM O=C([N-]Oc1ccc(F)cc1)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000898573045 1034116306 /nfs/dbraw/zinc/11/63/06/1034116306.db2.gz GJSJIMCVCNGOTH-ZJUUUORDSA-N -1 1 305.271 3.604 20 0 DHADMM CNC(=O)c1cccc(Nc2cc(Cl)cc(Cl)c2[O-])c1 ZINC001174141377 1034166537 /nfs/dbraw/zinc/16/65/37/1034166537.db2.gz UGMZKFBGVQBVAV-UHFFFAOYSA-N -1 1 311.168 3.802 20 0 DHADMM CCCCNC(=O)c1cccc(Nc2ccnc(Cl)c2[O-])c1 ZINC001174190317 1034209331 /nfs/dbraw/zinc/20/93/31/1034209331.db2.gz JISHCJRKXPMXBH-UHFFFAOYSA-N -1 1 319.792 3.714 20 0 DHADMM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1cncc([O-])c1 ZINC000179037438 1034278016 /nfs/dbraw/zinc/27/80/16/1034278016.db2.gz OXZGGSPIXMQDBI-NSHDSACASA-N -1 1 319.430 3.509 20 0 DHADMM C[C@H]1CO[C@H](C(=O)Nc2cc(Cl)c([O-])c3ccccc23)C1 ZINC000899051579 1034427258 /nfs/dbraw/zinc/42/72/58/1034427258.db2.gz YFZNUPXMEQNVFT-OTYXRUKQSA-N -1 1 305.761 3.562 20 0 DHADMM Cc1n[nH]cc1Nc1cc(Br)cc(Cl)c1[O-] ZINC001174475877 1034433160 /nfs/dbraw/zinc/43/31/60/1034433160.db2.gz PKOOCYGMLVHWLZ-UHFFFAOYSA-N -1 1 302.559 3.583 20 0 DHADMM Nc1ccc(Nc2ccc(F)c(Br)c2[O-])c(F)c1 ZINC001174482955 1034440763 /nfs/dbraw/zinc/44/07/63/1034440763.db2.gz FRMFCEVGGDHFAR-UHFFFAOYSA-N -1 1 315.117 3.759 20 0 DHADMM Cc1nn(C(C)(C)C)cc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000184199558 1034451108 /nfs/dbraw/zinc/45/11/08/1034451108.db2.gz ACBIVFZFVPAVJW-UHFFFAOYSA-N -1 1 307.781 3.558 20 0 DHADMM Cc1ccc([C@@H](C)NC(=O)Cc2ccc([O-])c(Cl)c2)s1 ZINC000864982428 1034490872 /nfs/dbraw/zinc/49/08/72/1034490872.db2.gz QSBPOPLHMKZUNF-SNVBAGLBSA-N -1 1 309.818 3.835 20 0 DHADMM [O-]c1c(Cl)cc(Cl)cc1NC1=CCC2(CC1)OCCO2 ZINC001174638975 1034521248 /nfs/dbraw/zinc/52/12/48/1034521248.db2.gz FFQRJATXCRQLLQ-UHFFFAOYSA-N -1 1 316.184 3.922 20 0 DHADMM [O-]c1cc(Nc2cnn([C@H]3CCCCO3)c2)c(F)cc1Cl ZINC001174606674 1034534303 /nfs/dbraw/zinc/53/43/03/1034534303.db2.gz YLHZWFFDJJNPON-CQSZACIVSA-N -1 1 311.744 3.824 20 0 DHADMM CCOc1cc(C(=O)N(C)[C@H](C)c2ccco2)cc(Cl)c1[O-] ZINC000186579571 1034644770 /nfs/dbraw/zinc/64/47/70/1034644770.db2.gz BSJMEQFTDFSJHN-SNVBAGLBSA-N -1 1 323.776 3.871 20 0 DHADMM O=c1[n-]cncc1Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001174854072 1034647164 /nfs/dbraw/zinc/64/71/64/1034647164.db2.gz YOSVTJLMGZLEJF-UHFFFAOYSA-N -1 1 323.196 3.963 20 0 DHADMM CC(C)OC(=O)c1cccc([N-]c2nnc(C(C)(C)C)o2)c1 ZINC001174913823 1034678030 /nfs/dbraw/zinc/67/80/30/1034678030.db2.gz HTBULJYKNARSBY-UHFFFAOYSA-N -1 1 303.362 3.676 20 0 DHADMM CC(C)(C)c1nnc([N-][C@H](c2ccccc2)c2ccccn2)o1 ZINC000881761196 1034687632 /nfs/dbraw/zinc/68/76/32/1034687632.db2.gz MRKUVEQGZSHBJU-OAHLLOKOSA-N -1 1 308.385 3.964 20 0 DHADMM O=C1CCOc2c(Nc3c(F)cc([O-])cc3F)ccc(F)c21 ZINC001175102278 1034783576 /nfs/dbraw/zinc/78/35/76/1034783576.db2.gz GAGMMMAMGRZJJZ-UHFFFAOYSA-N -1 1 309.243 3.518 20 0 DHADMM COc1c(Cl)cccc1[N-]S(=O)(=O)CCC(C)(C)C ZINC000481433964 1034828594 /nfs/dbraw/zinc/82/85/94/1034828594.db2.gz JDKZZRFVHLJZBJ-UHFFFAOYSA-N -1 1 305.827 3.527 20 0 DHADMM Cc1ccc(CSc2nc([O-])cc(=O)n2C2CCCC2)cc1 ZINC000193038078 1034826940 /nfs/dbraw/zinc/82/69/40/1034826940.db2.gz DAGXJNKXEUFIIC-UHFFFAOYSA-N -1 1 316.426 3.665 20 0 DHADMM Cc1ccc(CSc2nc(=O)cc([O-])n2C2CCCC2)cc1 ZINC000193038078 1034826947 /nfs/dbraw/zinc/82/69/47/1034826947.db2.gz DAGXJNKXEUFIIC-UHFFFAOYSA-N -1 1 316.426 3.665 20 0 DHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2cc(C)ccc2C)c1 ZINC001175164261 1034851600 /nfs/dbraw/zinc/85/16/00/1034851600.db2.gz BUZNZJKOIALEIG-UHFFFAOYSA-N -1 1 305.399 3.546 20 0 DHADMM CCOc1ccc(F)c(F)c1Nc1ccnc(Cl)c1[O-] ZINC001175278432 1034896033 /nfs/dbraw/zinc/89/60/33/1034896033.db2.gz RYAVDWZGHAXCBG-UHFFFAOYSA-N -1 1 300.692 3.861 20 0 DHADMM Nc1cc(C(F)(F)F)c(Nc2cc([O-])c(Cl)cc2F)cn1 ZINC001175712906 1035087768 /nfs/dbraw/zinc/08/77/68/1035087768.db2.gz MKOZQKXWDZSVSC-UHFFFAOYSA-N -1 1 321.661 3.924 20 0 DHADMM CC1=C(C)C[C@@H](C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CC1 ZINC000567943862 1035091811 /nfs/dbraw/zinc/09/18/11/1035091811.db2.gz YCOYOPWLUBLJNJ-AWEZNQCLSA-N -1 1 311.385 3.857 20 0 DHADMM CC[C@]1(C)C[C@@H]1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000482696934 1035162589 /nfs/dbraw/zinc/16/25/89/1035162589.db2.gz SDRZLRKQJNHMLE-YMTOWFKASA-N -1 1 312.207 3.838 20 0 DHADMM CC1=C(C(=O)Nc2cc(C)cc(Br)c2[O-])CCC1 ZINC000482688390 1035162715 /nfs/dbraw/zinc/16/27/15/1035162715.db2.gz DCUYYTOPJFHWNY-UHFFFAOYSA-N -1 1 310.191 3.902 20 0 DHADMM [O-]c1c(Cl)cc(Br)cc1NC1=CCOCC1 ZINC001176147381 1035203912 /nfs/dbraw/zinc/20/39/12/1035203912.db2.gz BKXNKTQZBCJDFZ-UHFFFAOYSA-N -1 1 304.571 3.524 20 0 DHADMM [O-]c1c(F)c(F)ccc1Nc1cnn(Cc2cccs2)c1 ZINC001176163044 1035221793 /nfs/dbraw/zinc/22/17/93/1035221793.db2.gz KWJFNNPXASFPNL-UHFFFAOYSA-N -1 1 307.325 3.720 20 0 DHADMM O=C([O-])C[C@@H](NCc1ccc(Cl)cc1F)c1cccs1 ZINC000160737725 1035229179 /nfs/dbraw/zinc/22/91/79/1035229179.db2.gz YVXAYGYUTCZWME-GFCCVEGCSA-N -1 1 313.781 3.846 20 0 DHADMM O=C(OCc1cc(-c2ccccc2)on1)c1ccc([O-])cc1F ZINC000773571163 1035257190 /nfs/dbraw/zinc/25/71/90/1035257190.db2.gz QBMDCUNDKMRMHM-UHFFFAOYSA-N -1 1 313.284 3.543 20 0 DHADMM CCOc1cc(C(=O)N[C@H]2CC3CCC2CC3)cc(Cl)c1[O-] ZINC000483489569 1035273351 /nfs/dbraw/zinc/27/33/51/1035273351.db2.gz NSEMWXZPQORHAR-MGULZYLOSA-N -1 1 323.820 3.753 20 0 DHADMM C[C@@H]1CCN(C(=O)c2ncc3ccccc3c2[O-])CC12CCC2 ZINC000613222184 1035280018 /nfs/dbraw/zinc/28/00/18/1035280018.db2.gz KJKZEEKYSYMXJT-CYBMUJFWSA-N -1 1 310.397 3.593 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cnc(Cl)nc2Cl)c1F ZINC001176664097 1035308834 /nfs/dbraw/zinc/30/88/34/1035308834.db2.gz KRPXUVYIHSQGJC-UHFFFAOYSA-N -1 1 310.062 3.650 20 0 DHADMM CC(C)NC(=O)c1cccc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176671752 1035309941 /nfs/dbraw/zinc/30/99/41/1035309941.db2.gz NPCPWRXAGPZILQ-UHFFFAOYSA-N -1 1 324.302 3.691 20 0 DHADMM O=c1ccc2cccc(Nc3c(F)cc(F)c([O-])c3F)c2[nH]1 ZINC001176672064 1035310791 /nfs/dbraw/zinc/31/07/91/1035310791.db2.gz GYFSRGUFGXBJRZ-UHFFFAOYSA-N -1 1 306.243 3.807 20 0 DHADMM CC(C)c1nnc2ccc(Nc3c(F)cc(F)c([O-])c3F)cn21 ZINC001176669613 1035310825 /nfs/dbraw/zinc/31/08/25/1035310825.db2.gz JAZZOIHMJYBZJR-UHFFFAOYSA-N -1 1 322.290 3.719 20 0 DHADMM COc1cccc2ncnc(Nc3c(F)cc(F)c([O-])c3F)c21 ZINC001176669669 1035310960 /nfs/dbraw/zinc/31/09/60/1035310960.db2.gz JXTACKLUQGDDHJ-UHFFFAOYSA-N -1 1 321.258 3.505 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cc(Cl)c3nccn3c2)c1F ZINC001176662910 1035316598 /nfs/dbraw/zinc/31/65/98/1035316598.db2.gz CLWGNHLMAKINKB-UHFFFAOYSA-N -1 1 313.666 3.854 20 0 DHADMM CC[C@@H](Cc1ccc(NCc2[nH]nc3ccccc32)cc1)C(=O)[O-] ZINC000904015023 1035339458 /nfs/dbraw/zinc/33/94/58/1035339458.db2.gz CAEPUUAXUHGLMB-AWEZNQCLSA-N -1 1 323.396 3.828 20 0 DHADMM O=C(/C=C/c1cccc(F)c1)NCc1ccc([O-])c(Cl)c1 ZINC001176994481 1035343110 /nfs/dbraw/zinc/34/31/10/1035343110.db2.gz UWOCMKKGQPJLAZ-FNORWQNLSA-N -1 1 305.736 3.514 20 0 DHADMM CCOc1ccc(CN[C@@H](CC(=O)[O-])c2ccccc2F)cc1 ZINC000904044823 1035351281 /nfs/dbraw/zinc/35/12/81/1035351281.db2.gz FHUFFNJLYCYFPB-KRWDZBQOSA-N -1 1 317.360 3.530 20 0 DHADMM Cc1cccc([C@H](CC(=O)[O-])NCc2cc(C)cnc2Cl)c1 ZINC000904044767 1035351713 /nfs/dbraw/zinc/35/17/13/1035351713.db2.gz DALPYNSJOMHPLG-HNNXBMFYSA-N -1 1 318.804 3.657 20 0 DHADMM O=C([O-])[C@H](NCc1ccc(-c2ccc(Cl)cc2)o1)C1CCC1 ZINC000904050584 1035353597 /nfs/dbraw/zinc/35/35/97/1035353597.db2.gz ZJDHKWGAFYDDKC-MRXNPFEDSA-N -1 1 319.788 3.943 20 0 DHADMM Cc1cccc(C)c1C[C@H](NCc1cc2ccccc2o1)C(=O)[O-] ZINC000904069349 1035362841 /nfs/dbraw/zinc/36/28/41/1035362841.db2.gz LHOWCIVMJAHZKJ-SFHVURJKSA-N -1 1 323.392 3.835 20 0 DHADMM O=C(NCc1cscc1Cl)c1ncc2ccccc2c1[O-] ZINC001178013973 1035404660 /nfs/dbraw/zinc/40/46/60/1035404660.db2.gz VYTXMYROLFIKMI-UHFFFAOYSA-N -1 1 318.785 3.585 20 0 DHADMM [O-]c1ccc(Cc2nc(-c3ccc(F)c(F)c3)no2)cc1Cl ZINC000904370358 1035406473 /nfs/dbraw/zinc/40/64/73/1035406473.db2.gz BCLOECHXZAHLBM-UHFFFAOYSA-N -1 1 322.698 3.965 20 0 DHADMM COc1cccc(-c2noc(-c3cc(SC)ccc3[O-])n2)c1 ZINC000904607007 1035435267 /nfs/dbraw/zinc/43/52/67/1035435267.db2.gz ZOHVBYYKKPGFLG-UHFFFAOYSA-N -1 1 314.366 3.840 20 0 DHADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccccc1COC ZINC000485049979 1035465456 /nfs/dbraw/zinc/46/54/56/1035465456.db2.gz UQLKNKIAYZRQBS-UHFFFAOYSA-N -1 1 319.426 3.505 20 0 DHADMM O=C([O-])[C@@H]1C[C@H](NCc2cscc2Cl)c2ccccc21 ZINC000905012304 1035475421 /nfs/dbraw/zinc/47/54/21/1035475421.db2.gz ICGXUFQPGUSJNN-OCCSQVGLSA-N -1 1 307.802 3.804 20 0 DHADMM O=C(Nc1cnccc1Oc1ccccc1)c1ccc(O)cc1[O-] ZINC000195288527 1035525313 /nfs/dbraw/zinc/52/53/13/1035525313.db2.gz KMQKDCANUBCGTA-UHFFFAOYSA-N -1 1 322.320 3.537 20 0 DHADMM [O-]c1ccc(CN(CC2CCC2)CC(F)(F)F)c(F)c1F ZINC001179980235 1035554599 /nfs/dbraw/zinc/55/45/99/1035554599.db2.gz PISHSDXGORZPLJ-UHFFFAOYSA-N -1 1 309.278 3.835 20 0 DHADMM C[C@@H](NC(=O)Nc1ccc([O-])c(F)c1F)c1ccc(F)cc1 ZINC001193136762 1035574792 /nfs/dbraw/zinc/57/47/92/1035574792.db2.gz TUOBHCAIBJPUCF-MRVPVSSYSA-N -1 1 310.275 3.692 20 0 DHADMM C[C@@H](NC(=O)Nc1cc(F)c([O-])cc1F)c1ccc(F)cc1 ZINC001193143602 1035577755 /nfs/dbraw/zinc/57/77/55/1035577755.db2.gz OSDHBIZWMBHQDS-MRVPVSSYSA-N -1 1 310.275 3.692 20 0 DHADMM CC(C)Oc1c(F)c(F)c([N-]c2cnns2)c(F)c1F ZINC001193334741 1035608858 /nfs/dbraw/zinc/60/88/58/1035608858.db2.gz WHGBBMHOCWSKHA-UHFFFAOYSA-N -1 1 307.272 3.625 20 0 DHADMM CC[C@H](NCc1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000905718323 1035623105 /nfs/dbraw/zinc/62/31/05/1035623105.db2.gz GIQXNAJZYUPFJY-HNNXBMFYSA-N -1 1 304.777 3.674 20 0 DHADMM O=C([O-])c1ccc(CN[C@@H](c2ccc(F)cc2)C2CCC2)nc1 ZINC000905724964 1035626635 /nfs/dbraw/zinc/62/66/35/1035626635.db2.gz QWFGIHXMZDXMBR-QGZVFWFLSA-N -1 1 314.360 3.550 20 0 DHADMM COc1ccnc(C(=O)Nc2c(C)ccc3ccccc32)c1[O-] ZINC001193521473 1035660510 /nfs/dbraw/zinc/66/05/10/1035660510.db2.gz XWDGSUSWWWGJQW-UHFFFAOYSA-N -1 1 308.337 3.510 20 0 DHADMM CCOC(=O)c1cnc(C(C)=Cc2cc(C)cc(C)c2)[n-]c1=O ZINC000347423957 1035728791 /nfs/dbraw/zinc/72/87/91/1035728791.db2.gz GKIXOJULVMEZGF-LCYFTJDESA-N -1 1 312.369 3.536 20 0 DHADMM Cc1[nH]nc2ccc(-c3ccc4c(c3)C[C@@H]3[C@@H](C(=O)[O-])[C@H]43)cc12 ZINC000906240928 1035872406 /nfs/dbraw/zinc/87/24/06/1035872406.db2.gz PFHLXMDPLKSNSP-CGTJXYLNSA-N -1 1 304.349 3.509 20 0 DHADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2scnc2c1 ZINC000195447721 1035899728 /nfs/dbraw/zinc/89/97/28/1035899728.db2.gz AXKPHXHCHOTVPV-UHFFFAOYSA-N -1 1 322.386 3.545 20 0 DHADMM CSc1ccccc1[N-]S(=O)(=O)c1c(C)cccc1C ZINC001194633878 1035972739 /nfs/dbraw/zinc/97/27/39/1035972739.db2.gz GDUXGABQIKDEPS-UHFFFAOYSA-N -1 1 307.440 3.826 20 0 DHADMM Cc1ccc(-c2cc(C(=O)O[C@@H](C)c3cnccc3C)[nH]n2)o1 ZINC000773945150 1035997617 /nfs/dbraw/zinc/99/76/17/1035997617.db2.gz PDWZOVKUAFHWMK-LBPRGKRZSA-N -1 1 311.341 3.600 20 0 DHADMM Cc1ccc2cccnc2c1NC(=O)c1c[n-]c(C(F)(F)F)n1 ZINC001194782557 1036019762 /nfs/dbraw/zinc/01/97/62/1036019762.db2.gz UAEGHAZEGGRPDG-UHFFFAOYSA-N -1 1 320.274 3.537 20 0 DHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc([C@@H](C)O)cc2)c1 ZINC001195155978 1036160998 /nfs/dbraw/zinc/16/09/98/1036160998.db2.gz DEENAVDZWDIBCS-CYBMUJFWSA-N -1 1 319.426 3.664 20 0 DHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC3)c1 ZINC001195159048 1036165212 /nfs/dbraw/zinc/16/52/12/1036165212.db2.gz LKSJWNQFNGPVRE-UHFFFAOYSA-N -1 1 317.410 3.546 20 0 DHADMM O=C(Nc1ccc(C2CCC2)cc1)c1cnc(C2CC2)[n-]c1=O ZINC000907824496 1036283839 /nfs/dbraw/zinc/28/38/39/1036283839.db2.gz YGDHZPPZDMBIPM-UHFFFAOYSA-N -1 1 309.369 3.579 20 0 DHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])c1ccc(C2CC2)cn1 ZINC001195618925 1036289904 /nfs/dbraw/zinc/28/99/04/1036289904.db2.gz XARIGJIZYHTMDG-UHFFFAOYSA-N -1 1 322.286 3.936 20 0 DHADMM CC1(C)CCC(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CC1 ZINC000495164997 1036305852 /nfs/dbraw/zinc/30/58/52/1036305852.db2.gz CMCSJXDPLSMNFG-UHFFFAOYSA-N -1 1 313.401 3.937 20 0 DHADMM O=C([N-]c1n[nH]c(-c2ccc(Cl)cc2)n1)c1sccc1F ZINC001182524644 1036379130 /nfs/dbraw/zinc/37/91/30/1036379130.db2.gz LKQMWVKLQJDEAT-UHFFFAOYSA-N -1 1 322.752 3.578 20 0 DHADMM CC[C@@H](C)[C@@H](C)C(=O)Nc1cccc([O-])c1Br ZINC000908708970 1036488895 /nfs/dbraw/zinc/48/88/95/1036488895.db2.gz DKQVKIKASYHFNO-RKDXNWHRSA-N -1 1 300.196 3.775 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)[C@@H]1C[C@@H]1C1CCCC1 ZINC000908707527 1036486976 /nfs/dbraw/zinc/48/69/76/1036486976.db2.gz KFJVZSZLGPLKDV-GHMZBOCLSA-N -1 1 324.218 3.920 20 0 DHADMM C[C@@]1(C(=O)Nc2cccc([O-])c2Br)CC=CCC1 ZINC000908707083 1036486988 /nfs/dbraw/zinc/48/69/88/1036486988.db2.gz GYOXAFLVLOVFLV-CQSZACIVSA-N -1 1 310.191 3.840 20 0 DHADMM CC(C)C[C@H](C)C(=O)Nc1cccc([O-])c1Br ZINC000908708764 1036487486 /nfs/dbraw/zinc/48/74/86/1036487486.db2.gz DBVSFXVIDRHTQG-VIFPVBQESA-N -1 1 300.196 3.775 20 0 DHADMM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1cccc([O-])c1Br ZINC000908711202 1036489483 /nfs/dbraw/zinc/48/94/83/1036489483.db2.gz ZWDKQKJTYVEVGB-YMTOWFKASA-N -1 1 312.207 3.775 20 0 DHADMM C[C@@H]1CC/C(=C/C(=O)Nc2cccc([O-])c2Br)C1 ZINC000908709286 1036490016 /nfs/dbraw/zinc/49/00/16/1036490016.db2.gz MXPZYFBWBZMWDQ-URLRMUCDSA-N -1 1 310.191 3.840 20 0 DHADMM O=C(CC1=CCCCC1)Nc1cccc([O-])c1Br ZINC000908712695 1036490258 /nfs/dbraw/zinc/49/02/58/1036490258.db2.gz JCCRPHPWOKWHGF-UHFFFAOYSA-N -1 1 310.191 3.984 20 0 DHADMM CCCOc1cccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000303264650 1036561164 /nfs/dbraw/zinc/56/11/64/1036561164.db2.gz ILPFGNPGTBJAAQ-UHFFFAOYSA-N -1 1 323.389 3.724 20 0 DHADMM CC(C)(C)c1csc(C(=O)Nc2cc([O-])c(F)cc2F)n1 ZINC000909973311 1036726090 /nfs/dbraw/zinc/72/60/90/1036726090.db2.gz WEAJMTKTWIGKIJ-UHFFFAOYSA-N -1 1 312.341 3.677 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000909982048 1036736362 /nfs/dbraw/zinc/73/63/62/1036736362.db2.gz CUHOMIYZIQCOIM-KPZWWZAWSA-N -1 1 315.319 3.513 20 0 DHADMM Cc1ccc(NC(=S)Nc2cc(Cl)ncc2[O-])c(C)c1 ZINC001197966508 1036919434 /nfs/dbraw/zinc/91/94/34/1036919434.db2.gz XWUYVOIAFXDMBU-UHFFFAOYSA-N -1 1 307.806 3.866 20 0 DHADMM O=C(NCCc1ccccc1)Nc1cccc(C(F)(F)F)c1[O-] ZINC001184949027 1036988521 /nfs/dbraw/zinc/98/85/21/1036988521.db2.gz NKMHAFNFXXXUBJ-UHFFFAOYSA-N -1 1 324.302 3.775 20 0 DHADMM O=C(CC[C@@H]1CC1(Cl)Cl)Nc1cc(F)cc(F)c1[O-] ZINC000910985785 1037020307 /nfs/dbraw/zinc/02/03/07/1037020307.db2.gz FBRNMPQAXGUXEQ-ZCFIWIBFSA-N -1 1 310.127 3.583 20 0 DHADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000910990583 1037023590 /nfs/dbraw/zinc/02/35/90/1037023590.db2.gz ZPLVNHWTWNJVFL-RQJHMYQMSA-N -1 1 309.234 3.588 20 0 DHADMM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000315976207 1037066820 /nfs/dbraw/zinc/06/68/20/1037066820.db2.gz VXXYXLVRAOLCII-GFCCVEGCSA-N -1 1 323.389 3.804 20 0 DHADMM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198816419 1037139298 /nfs/dbraw/zinc/13/92/98/1037139298.db2.gz JJPNIHRSXJSPHI-UHFFFAOYSA-N -1 1 305.330 3.681 20 0 DHADMM COc1cc(C(=O)Nc2ncsc2C2CC2)cc(Cl)c1[O-] ZINC000914114170 1037147784 /nfs/dbraw/zinc/14/77/84/1037147784.db2.gz RBIHKWDLURUFEX-UHFFFAOYSA-N -1 1 324.789 3.640 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2ccc3cnoc3c2)ccc1Cl ZINC001185530064 1037170781 /nfs/dbraw/zinc/17/07/81/1037170781.db2.gz QINNYSHOCYOEMZ-UHFFFAOYSA-N -1 1 322.773 3.590 20 0 DHADMM CCCC[C@@H](C)N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000311180834 1037283868 /nfs/dbraw/zinc/28/38/68/1037283868.db2.gz YNOYNFGAEXDMBZ-SNVBAGLBSA-N -1 1 314.223 3.805 20 0 DHADMM O=C(Nc1cc(F)c(F)cc1[O-])Nc1c(F)cc(F)cc1F ZINC001186059847 1037307537 /nfs/dbraw/zinc/30/75/37/1037307537.db2.gz MXVRHNKGIBZJHR-UHFFFAOYSA-N -1 1 318.201 3.732 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])Nc1c(F)cc(F)cc1F ZINC001186056417 1037308287 /nfs/dbraw/zinc/30/82/87/1037308287.db2.gz QROAXIDCYZTOBI-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM O=C(Nc1c(F)cc([O-])cc1F)Nc1c(F)cc(F)cc1F ZINC001186066220 1037310819 /nfs/dbraw/zinc/31/08/19/1037310819.db2.gz XMRPYCDKCOSOAY-UHFFFAOYSA-N -1 1 318.201 3.732 20 0 DHADMM CCOc1ncc(Nc2c(F)ccc([O-])c2Cl)cc1F ZINC001250229246 1037313121 /nfs/dbraw/zinc/31/31/21/1037313121.db2.gz XYZCSUYKCGSPJB-UHFFFAOYSA-N -1 1 300.692 3.861 20 0 DHADMM O=C(Nc1ccccc1-c1nccs1)c1ccc([O-])c(F)c1 ZINC001186236722 1037340079 /nfs/dbraw/zinc/34/00/79/1037340079.db2.gz LRGNGDDMLCKKNW-UHFFFAOYSA-N -1 1 314.341 3.907 20 0 DHADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@H]1c1cc2ccccc2[nH]1 ZINC001186219197 1037347653 /nfs/dbraw/zinc/34/76/53/1037347653.db2.gz PPTXKWSHSKKTAY-KRWDZBQOSA-N -1 1 324.355 3.990 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CCC[C@H](Cc2ccccc2)C1 ZINC001186327779 1037359341 /nfs/dbraw/zinc/35/93/41/1037359341.db2.gz QRSIBLRMILIUJY-OAHLLOKOSA-N -1 1 313.372 3.626 20 0 DHADMM Cc1[nH]c2ccc(CNC(=O)c3ccc([O-])cc3F)cc2c1C ZINC001186337799 1037378644 /nfs/dbraw/zinc/37/86/44/1037378644.db2.gz SJHCYWGZMOIZNH-UHFFFAOYSA-N -1 1 312.344 3.559 20 0 DHADMM O=C(Nc1cc(Cl)ncc1[O-])N[C@H]1CCCc2ccccc21 ZINC001186424264 1037408498 /nfs/dbraw/zinc/40/84/98/1037408498.db2.gz KRWJFKJDWLYKBY-LBPRGKRZSA-N -1 1 317.776 3.640 20 0 DHADMM O=C(Nc1cc(F)cc(F)c1[O-])N[C@H]1CCCc2ccccc21 ZINC001186462751 1037424962 /nfs/dbraw/zinc/42/49/62/1037424962.db2.gz GNNYJHLJBSJWSV-AWEZNQCLSA-N -1 1 318.323 3.870 20 0 DHADMM [O-]c1c(F)cc(NC(=S)Nc2ccc(F)cc2F)cc1F ZINC001200928411 1037467609 /nfs/dbraw/zinc/46/76/09/1037467609.db2.gz PBQYZEGMCSDUHP-UHFFFAOYSA-N -1 1 316.279 3.758 20 0 DHADMM CSc1ccc([O-])c(C(=O)N2CC3(CC3)c3ccccc32)c1 ZINC000669035534 1037618273 /nfs/dbraw/zinc/61/82/73/1037618273.db2.gz FKRCUUZCTAMKGQ-UHFFFAOYSA-N -1 1 311.406 3.806 20 0 DHADMM C[C@@H]1CC(C)(C)CC[C@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC001187760742 1037721979 /nfs/dbraw/zinc/72/19/79/1037721979.db2.gz OEYXPAQAKJVDBM-TZMCWYRMSA-N -1 1 321.442 3.926 20 0 DHADMM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000184767605 1037758668 /nfs/dbraw/zinc/75/86/68/1037758668.db2.gz QKZCOONMZHUGOF-IAQYHMDHSA-N -1 1 311.809 3.970 20 0 DHADMM COc1ccc(-c2ccccc2)cc1[N-]S(=O)(=O)C1CCC1 ZINC001188097074 1037811077 /nfs/dbraw/zinc/81/10/77/1037811077.db2.gz DNXQXSYQBQNSOC-UHFFFAOYSA-N -1 1 317.410 3.656 20 0 DHADMM CCCc1cc(=O)[n-]c(SC[C@H]2CCC3(CCCC3)O2)n1 ZINC001188162832 1037830509 /nfs/dbraw/zinc/83/05/09/1037830509.db2.gz MBKXJVDIZMVOTG-CYBMUJFWSA-N -1 1 308.447 3.719 20 0 DHADMM COc1ccc(NC(=O)Nc2cccc(F)c2[O-])cc1Cl ZINC001188472785 1037908123 /nfs/dbraw/zinc/90/81/23/1037908123.db2.gz MHGXLELLGIXKLO-UHFFFAOYSA-N -1 1 310.712 3.837 20 0 DHADMM O=C(Nc1cnccc1C1CC1)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188572328 1037916769 /nfs/dbraw/zinc/91/67/69/1037916769.db2.gz NRVPWBDOBAYYMM-UHFFFAOYSA-N -1 1 322.286 3.936 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)N[C@@H]1C[C@H]1c1ccccc1 ZINC001201937713 1037933757 /nfs/dbraw/zinc/93/37/57/1037933757.db2.gz LOJZLMOOPXUBQY-GXTWGEPZSA-N -1 1 302.761 3.723 20 0 DHADMM O=C(Nc1cc(F)c([O-])c(F)c1)Nc1c(F)cccc1F ZINC001202042212 1038014948 /nfs/dbraw/zinc/01/49/48/1038014948.db2.gz QOYDNIGSEYMXTF-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000126136080 1038032215 /nfs/dbraw/zinc/03/22/15/1038032215.db2.gz KEKLTMYYMCCADM-UHFFFAOYSA-N -1 1 317.410 3.697 20 0 DHADMM CCOc1ccccc1NC(=O)Nc1cc(F)c([O-])c(F)c1 ZINC001202147151 1038063918 /nfs/dbraw/zinc/06/39/18/1038063918.db2.gz FUPLSOBZEZQJDP-UHFFFAOYSA-N -1 1 308.284 3.713 20 0 DHADMM Cc1cnc(SCc2ccc(Cl)c3cccnc23)[n-]c1=O ZINC001189399497 1038146160 /nfs/dbraw/zinc/14/61/60/1038146160.db2.gz SBLUFFZLILRIDT-UHFFFAOYSA-N -1 1 317.801 3.985 20 0 DHADMM CCc1nc(SCc2ncc(C(C)(C)C)o2)[n-]c(=O)c1C ZINC000571582516 1038165158 /nfs/dbraw/zinc/16/51/58/1038165158.db2.gz SUOKFRNMHDPXAU-UHFFFAOYSA-N -1 1 307.419 3.631 20 0 DHADMM O=S(=O)([N-]c1ccccc1)c1cc(F)cc(C(F)(F)F)c1 ZINC001189948768 1038237747 /nfs/dbraw/zinc/23/77/47/1038237747.db2.gz LHJNMXREVWXMJP-UHFFFAOYSA-N -1 1 319.279 3.645 20 0 DHADMM C[C@H](Cc1ccc(Cl)cc1)N(C)Cc1nc(C(=O)[O-])cs1 ZINC000572250231 1038349470 /nfs/dbraw/zinc/34/94/70/1038349470.db2.gz KNNPRIOOKQLKSD-SNVBAGLBSA-N -1 1 324.833 3.558 20 0 DHADMM CCCC1CCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)CC1 ZINC001191144133 1038459007 /nfs/dbraw/zinc/45/90/07/1038459007.db2.gz RPAULBHBNSOAIR-UHFFFAOYSA-N -1 1 311.809 3.707 20 0 DHADMM O=S(=O)([N-]C[C@H]1CCC[C@H]1C1CC1)c1cc2ccccc2o1 ZINC001212158240 1038473517 /nfs/dbraw/zinc/47/35/17/1038473517.db2.gz NTOKUHXNMIYUNZ-CABCVRRESA-N -1 1 319.426 3.537 20 0 DHADMM CCCCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(O)c2)cc1 ZINC001191248796 1038477098 /nfs/dbraw/zinc/47/70/98/1038477098.db2.gz JSILBICGSBECMD-UHFFFAOYSA-N -1 1 323.389 3.675 20 0 DHADMM O=S(=O)(CC1CCCC1)Nc1c(Cl)ccc([O-])c1Cl ZINC001191527153 1038514968 /nfs/dbraw/zinc/51/49/68/1038514968.db2.gz UBDWASGPPBCRJO-UHFFFAOYSA-N -1 1 324.229 3.631 20 0 DHADMM O=C(c1c(F)ccc([O-])c1F)N1CCC[C@H]1C1CCCCC1 ZINC001192535307 1038678076 /nfs/dbraw/zinc/67/80/76/1038678076.db2.gz FMSDCVUULOQVOJ-ZDUSSCGKSA-N -1 1 309.356 3.855 20 0 DHADMM O=C(Nc1cc(Cl)cc(Cl)n1)c1cc([O-])cc(F)c1F ZINC001192651223 1038685908 /nfs/dbraw/zinc/68/59/08/1038685908.db2.gz BTUZHVVDHSTZJA-UHFFFAOYSA-N -1 1 319.094 3.625 20 0 DHADMM O=C(Nc1ccccc1OCC1CC1)c1cc([O-])cc(F)c1F ZINC001192670590 1038690144 /nfs/dbraw/zinc/69/01/44/1038690144.db2.gz KTWFHUZVMWUVHB-UHFFFAOYSA-N -1 1 319.307 3.712 20 0 DHADMM Cc1ccccc1C(C)(C)NC(=O)c1cc([O-])cc(F)c1F ZINC001192684327 1038692509 /nfs/dbraw/zinc/69/25/09/1038692509.db2.gz NEJBIUJZDJLTDS-UHFFFAOYSA-N -1 1 305.324 3.644 20 0 DHADMM COc1cccc([C@H](C)NC(=O)Nc2cccc([O-])c2Cl)c1 ZINC001192886859 1038710603 /nfs/dbraw/zinc/71/06/03/1038710603.db2.gz QFFXHYRXJBPBGX-JTQLQIEISA-N -1 1 320.776 3.937 20 0 DHADMM COc1cccc([C@H](C)NC(=O)Nc2cc(F)c(F)cc2[O-])c1 ZINC001192886757 1038711300 /nfs/dbraw/zinc/71/13/00/1038711300.db2.gz NBWWKTJIUFDZFV-VIFPVBQESA-N -1 1 322.311 3.562 20 0 DHADMM Cc1ccccc1-c1cc([N-]S(=O)(=O)CCC(C)(C)C)n[nH]1 ZINC000573615854 1039005436 /nfs/dbraw/zinc/00/54/36/1039005436.db2.gz NGBOYMJDOHWAKY-UHFFFAOYSA-N -1 1 321.446 3.563 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1CCCc2sccc2C1 ZINC000593421962 1039542925 /nfs/dbraw/zinc/54/29/25/1039542925.db2.gz BKCXKDXMKXTYCH-UHFFFAOYSA-N -1 1 307.802 3.696 20 0 DHADMM O=C(Cn1ccc2ccc(Cl)cc21)Nc1c([O-])cccc1F ZINC000605440692 1039684075 /nfs/dbraw/zinc/68/40/75/1039684075.db2.gz YUGBASUAAKJSCX-UHFFFAOYSA-N -1 1 318.735 3.778 20 0 DHADMM Cc1ccc(-c2nc(C(=O)Nc3c([O-])cccc3F)cs2)o1 ZINC000605440735 1039684893 /nfs/dbraw/zinc/68/48/93/1039684893.db2.gz ZNZZVCDXZTVEJD-UHFFFAOYSA-N -1 1 318.329 3.809 20 0 DHADMM CS[C@H]1CC[C@@H](NC(=O)c2ccc3ccccc3c2[O-])C1 ZINC000231678158 1040381022 /nfs/dbraw/zinc/38/10/22/1040381022.db2.gz KJTGDFZITUKMCA-OLZOCXBDSA-N -1 1 301.411 3.559 20 0 DHADMM CC(C)c1ccccc1OCC(=O)Nc1c([O-])cccc1F ZINC000608365740 1040471955 /nfs/dbraw/zinc/47/19/55/1040471955.db2.gz PYKDLSRNAWXRKE-UHFFFAOYSA-N -1 1 303.333 3.672 20 0 DHADMM O=C(Nc1c([O-])cccc1F)[C@H]1C[C@]12CCCc1ccccc12 ZINC000608367395 1040473762 /nfs/dbraw/zinc/47/37/62/1040473762.db2.gz YHINQQXVQNTEQH-KUHUBIRLSA-N -1 1 311.356 3.764 20 0 DHADMM O=C(CSc1ccc(F)c(F)c1)Nc1c([O-])cccc1F ZINC000608367051 1040475484 /nfs/dbraw/zinc/47/54/84/1040475484.db2.gz SFOZTEHBZQJHCI-UHFFFAOYSA-N -1 1 313.300 3.540 20 0 DHADMM CC(C)(C)[C@H]1CCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001120849474 1040726634 /nfs/dbraw/zinc/72/66/34/1040726634.db2.gz IJJHDFUJVDBEIN-GFCCVEGCSA-N -1 1 301.308 3.672 20 0 DHADMM CCSCC[C@H](C)N(C)C(=O)c1ncc2ccccc2c1[O-] ZINC000597326328 1040736726 /nfs/dbraw/zinc/73/67/26/1040736726.db2.gz XHIGYXDFQQEWFT-LBPRGKRZSA-N -1 1 318.442 3.544 20 0 DHADMM COc1cc(C(=O)N[C@@]2(C)CCCC[C@H]2C)cc(Cl)c1[O-] ZINC000457273376 1041071792 /nfs/dbraw/zinc/07/17/92/1041071792.db2.gz UZSNHGGSLCYSKI-HWPZZCPQSA-N -1 1 311.809 3.753 20 0 DHADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000006315912 181329455 /nfs/dbraw/zinc/32/94/55/181329455.db2.gz YERRDYQTFQVRBO-UHFFFAOYSA-N -1 1 323.801 3.652 20 0 DHADMM O=C(Nc1ccc(Br)cc1)c1cc(F)ccc1[O-] ZINC000006535912 181351904 /nfs/dbraw/zinc/35/19/04/181351904.db2.gz PMXGCNMJDGCANM-UHFFFAOYSA-N -1 1 310.122 3.546 20 0 DHADMM O=C([O-])[C@@H]1C[C@H](NCc2ccsc2Cl)c2ccccc21 ZINC000417637925 335021960 /nfs/dbraw/zinc/02/19/60/335021960.db2.gz ZPSADJXSBXCAAZ-OLZOCXBDSA-N -1 1 307.802 3.804 20 0 DHADMM Cc1ccc(C[C@@H](NCc2cc3ccccc3o2)C(=O)[O-])cc1C ZINC000417647824 335029901 /nfs/dbraw/zinc/02/99/01/335029901.db2.gz GQFTXILJTGAJEH-GOSISDBHSA-N -1 1 323.392 3.835 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2N(C)C)cc1 ZINC000058190480 184085961 /nfs/dbraw/zinc/08/59/61/184085961.db2.gz CUFDLNRGTLCAQK-UHFFFAOYSA-N -1 1 324.833 3.515 20 0 DHADMM CCN(C(=O)c1ccc([O-])cc1F)[C@@H](C)Cc1ccsc1 ZINC000275263219 130301069 /nfs/dbraw/zinc/30/10/69/130301069.db2.gz ZEMHUIWBFISNKW-NSHDSACASA-N -1 1 307.390 3.686 20 0 DHADMM CN(C(=O)c1cc(Cl)ccc1[O-])C1CCC(F)(F)CC1 ZINC000288941083 131347038 /nfs/dbraw/zinc/34/70/38/131347038.db2.gz JNZJBMMLWWTXRZ-UHFFFAOYSA-N -1 1 303.736 3.696 20 0 DHADMM CC[C@@H]1OCCC[C@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000289063614 131355811 /nfs/dbraw/zinc/35/58/11/131355811.db2.gz LTRHLHNRVKGDAJ-YPMHNXCESA-N -1 1 308.765 3.768 20 0 DHADMM CO[C@@H]1CCC[C@H](Cc2nc(-c3ccc([O-])cc3Cl)no2)C1 ZINC000289116586 131358632 /nfs/dbraw/zinc/35/86/32/131358632.db2.gz PYQMVOKMWULACH-CMPLNLGQSA-N -1 1 322.792 3.843 20 0 DHADMM Cc1nc(-c2c[nH]c(C(=O)Nc3ccc(F)cc3[O-])c2)cs1 ZINC000340331073 131449347 /nfs/dbraw/zinc/44/93/47/131449347.db2.gz YDKKSGDPWKEEJY-UHFFFAOYSA-N -1 1 317.345 3.544 20 0 DHADMM O=C([O-])c1ccc(CNCc2ccc(Cl)s2)nc1C1CC1 ZINC000417711416 335067431 /nfs/dbraw/zinc/06/74/31/335067431.db2.gz VJLDJUDSYVFVMV-UHFFFAOYSA-N -1 1 322.817 3.662 20 0 DHADMM Cc1cc(C)c(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)cc1C ZINC000417713371 335069664 /nfs/dbraw/zinc/06/96/64/335069664.db2.gz YBSOLSXTUDTIQS-UHFFFAOYSA-N -1 1 324.424 3.872 20 0 DHADMM O=C([O-])[C@@H](NCc1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC000426770450 331965373 /nfs/dbraw/zinc/96/53/73/331965373.db2.gz SCLGGQUSNXYLPC-AWEZNQCLSA-N -1 1 311.715 3.534 20 0 DHADMM [O-]c1ccc(-c2noc(-c3noc4c3CCCCC4)n2)c(F)c1 ZINC000569390552 332074182 /nfs/dbraw/zinc/07/41/82/332074182.db2.gz IIQJJAHUOALMSY-UHFFFAOYSA-N -1 1 315.304 3.505 20 0 DHADMM Cc1cc([C@@H](NCc2ccccc2F)C(=O)[O-])ccc1Cl ZINC000426786396 332153189 /nfs/dbraw/zinc/15/31/89/332153189.db2.gz VFURQGSQCISQJS-OAHLLOKOSA-N -1 1 307.752 3.703 20 0 DHADMM COc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(C)o2)cc1Cl ZINC000426794423 332154547 /nfs/dbraw/zinc/15/45/47/332154547.db2.gz RICBNPMIXBIRBV-ZDUSSCGKSA-N -1 1 323.776 3.556 20 0 DHADMM Cc1cccc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)c1C ZINC000426807075 332155745 /nfs/dbraw/zinc/15/57/45/332155745.db2.gz MAEQBLBSYFPANX-KRWDZBQOSA-N -1 1 319.351 3.887 20 0 DHADMM Cc1cnc(C(=O)N(C)[C@H](c2ccccc2C)C(C)C)c([O-])c1 ZINC000426834454 332156571 /nfs/dbraw/zinc/15/65/71/332156571.db2.gz OJQSSTWKXHYKIU-SFHVURJKSA-N -1 1 312.413 3.873 20 0 DHADMM CCc1nc2c(s1)[C@H](N(C)Cc1ccc(C(=O)[O-])o1)CCC2 ZINC000582127531 332389180 /nfs/dbraw/zinc/38/91/80/332389180.db2.gz YKCISOIYKRZCKI-GFCCVEGCSA-N -1 1 320.414 3.506 20 0 DHADMM CC1(C)CC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000561554162 332463355 /nfs/dbraw/zinc/46/33/55/332463355.db2.gz IOCIAWMOBZOANZ-ZETCQYMHSA-N -1 1 314.259 3.522 20 0 DHADMM Cc1nc(-c2ccc(N(C)[C@H](C)C(C)(C)C)nc2)[n-]c(=O)c1C ZINC000525699177 332627138 /nfs/dbraw/zinc/62/71/38/332627138.db2.gz BLWVMULSHDTBII-CYBMUJFWSA-N -1 1 314.433 3.732 20 0 DHADMM C[C@H]1c2cccn2CCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000179386253 333025142 /nfs/dbraw/zinc/02/51/42/333025142.db2.gz IWUMIZIMSGDWNB-ZDUSSCGKSA-N -1 1 306.365 3.564 20 0 DHADMM Cc1ccc(CO)cc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000179863358 333026334 /nfs/dbraw/zinc/02/63/34/333026334.db2.gz HHGPSMNDQMCXFE-UHFFFAOYSA-N -1 1 307.349 3.598 20 0 DHADMM C[C@@H]1CC[C@H](C)CN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180629027 333028995 /nfs/dbraw/zinc/02/89/95/333028995.db2.gz WCSNLUZLNWSCRD-VHSXEESVSA-N -1 1 301.308 3.672 20 0 DHADMM CCCc1nc(CSc2nc(C3CC3)cc(=O)[n-]2)cs1 ZINC000188145127 333038069 /nfs/dbraw/zinc/03/80/69/333038069.db2.gz AWEOCHSLBVHEEN-UHFFFAOYSA-N -1 1 307.444 3.761 20 0 DHADMM Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)nn1C(C)(C)C ZINC000182861601 333047768 /nfs/dbraw/zinc/04/77/68/333047768.db2.gz UXOWMMPTUVYRQY-UHFFFAOYSA-N -1 1 307.781 3.558 20 0 DHADMM O=S(=O)([N-]c1cccc(F)c1F)c1cc(Cl)ccc1F ZINC000580294950 333070738 /nfs/dbraw/zinc/07/07/38/333070738.db2.gz BOUYHMCVMIDSFN-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM C[C@H](CCc1ccccc1F)C(=O)Nc1ccc(F)cc1[O-] ZINC000516656933 333141576 /nfs/dbraw/zinc/14/15/76/333141576.db2.gz OQPKYOMVRISFRT-LLVKDONJSA-N -1 1 305.324 3.878 20 0 DHADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc2ncccc2c1 ZINC000188117984 333159829 /nfs/dbraw/zinc/15/98/29/333159829.db2.gz VBYPNVAGDPMFFC-UHFFFAOYSA-N -1 1 312.394 3.598 20 0 DHADMM O=c1cc(C2CC2)nc(SCc2ccc3ccccc3n2)[n-]1 ZINC000188145333 333160189 /nfs/dbraw/zinc/16/01/89/333160189.db2.gz SRFHQDXQZXBBKU-UHFFFAOYSA-N -1 1 309.394 3.900 20 0 DHADMM Cc1ccc(-c2n[nH]c(NC(=O)[C@@H](c3ccccc3)C(C)C)n2)o1 ZINC000497742545 333285940 /nfs/dbraw/zinc/28/59/40/333285940.db2.gz MLRPDHMWUOZEDZ-OAHLLOKOSA-N -1 1 324.384 3.751 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)c(C)n1 ZINC000531277566 333339762 /nfs/dbraw/zinc/33/97/62/333339762.db2.gz MPSSIVVGUFGOLX-UHFFFAOYSA-N -1 1 318.442 3.733 20 0 DHADMM O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1ccc(F)cc1[O-] ZINC000531756311 333551840 /nfs/dbraw/zinc/55/18/40/333551840.db2.gz KPUPASGECUVSKD-UHFFFAOYSA-N -1 1 318.735 3.847 20 0 DHADMM O=C(Cc1ccc(-n2cccc2)cc1)Nc1ccc(F)cc1[O-] ZINC000531756463 333552462 /nfs/dbraw/zinc/55/24/62/333552462.db2.gz PZDUQFHRASUQRM-UHFFFAOYSA-N -1 1 310.328 3.503 20 0 DHADMM Cc1cc(C)c(S(=O)(=O)[N-]c2c(C)cc(C)nc2C)c(C)c1 ZINC000414459801 333987066 /nfs/dbraw/zinc/98/70/66/333987066.db2.gz OXXUWKGDTBZQER-UHFFFAOYSA-N -1 1 318.442 3.733 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N(CC1CC1)C1CCC1 ZINC000436928903 334017291 /nfs/dbraw/zinc/01/72/91/334017291.db2.gz SHQBCODMULOQDO-UHFFFAOYSA-N -1 1 313.319 3.816 20 0 DHADMM CC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000048659597 334294727 /nfs/dbraw/zinc/29/47/27/334294727.db2.gz WWDCCUCQHAJLQS-ZCFIWIBFSA-N -1 1 316.637 3.724 20 0 DHADMM O=S(=O)([N-]c1ccccc1Cl)c1c(F)cc(F)cc1F ZINC000048835363 334301786 /nfs/dbraw/zinc/30/17/86/334301786.db2.gz ZDIATMQISYJJJF-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM CCS[C@@H]1CCCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000112039203 334362005 /nfs/dbraw/zinc/36/20/05/334362005.db2.gz DURZNTSDCNXAIG-GFCCVEGCSA-N -1 1 313.850 3.793 20 0 DHADMM O=C(CCCCC(=O)c1ccccc1)Nc1ccc(F)cc1[O-] ZINC000532012687 334373598 /nfs/dbraw/zinc/37/35/98/334373598.db2.gz QKKWHLWKPYFKSD-UHFFFAOYSA-N -1 1 315.344 3.913 20 0 DHADMM C[C@H](CC(=O)Nc1ccc(F)cc1[O-])Cc1cccc(F)c1 ZINC000532012764 334373825 /nfs/dbraw/zinc/37/38/25/334373825.db2.gz CZECKNXPGMYESG-NSHDSACASA-N -1 1 305.324 3.878 20 0 DHADMM O=S(=O)([N-]c1ccc(F)cc1)c1ccc(C(F)F)cc1 ZINC000340777324 334385354 /nfs/dbraw/zinc/38/53/54/334385354.db2.gz JDFVNPFSBXVXEV-UHFFFAOYSA-N -1 1 301.289 3.564 20 0 DHADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000443402007 338450859 /nfs/dbraw/zinc/45/08/59/338450859.db2.gz WJQMSDWQJZSPKG-UHFFFAOYSA-N -1 1 305.399 3.503 20 0 DHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccc2c1CCC2 ZINC000343005185 334594313 /nfs/dbraw/zinc/59/43/13/334594313.db2.gz AYOXIBRHQXMNEU-UHFFFAOYSA-N -1 1 319.364 3.523 20 0 DHADMM O=C(N[C@@H]1CC[C@H](Cc2ccccc2)C1)c1ccc([O-])cc1F ZINC000189352750 334892724 /nfs/dbraw/zinc/89/27/24/334892724.db2.gz IPKYKBWGVAXYOR-HUUCEWRRSA-N -1 1 313.372 3.673 20 0 DHADMM O=C(NCc1ccc(-c2ccccc2)cc1F)c1cncc([O-])c1 ZINC000343728902 335187131 /nfs/dbraw/zinc/18/71/31/335187131.db2.gz YMZCGBCRVPOROE-UHFFFAOYSA-N -1 1 322.339 3.523 20 0 DHADMM CCCCn1ncc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1C ZINC000445473055 338495882 /nfs/dbraw/zinc/49/58/82/338495882.db2.gz MAKLKYXPDFIQTL-UHFFFAOYSA-N -1 1 316.336 3.553 20 0 DHADMM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)c2ncc(C)cc2[O-])cc1 ZINC000331832009 336149884 /nfs/dbraw/zinc/14/98/84/336149884.db2.gz DZAWVUHABVLTGA-SJORKVTESA-N -1 1 324.424 3.812 20 0 DHADMM Cc1ccc([C@@H]2CCCN2C(=O)C(=O)c2ccc([O-])cc2)cc1C ZINC000331872143 336150981 /nfs/dbraw/zinc/15/09/81/336150981.db2.gz JXUIKLFDZRYIKE-SFHVURJKSA-N -1 1 323.392 3.555 20 0 DHADMM Cc1cnc(C(=O)N2C[C@@H](c3ccccc3)C3(CCC3)C2)c([O-])c1 ZINC000333945896 336213633 /nfs/dbraw/zinc/21/36/33/336213633.db2.gz UDCXIEORNXFRPD-INIZCTEOSA-N -1 1 322.408 3.506 20 0 DHADMM COCCOc1cccc(NCc2cccc([O-])c2Cl)c1 ZINC000328491901 336254520 /nfs/dbraw/zinc/25/45/20/336254520.db2.gz SQHMEGRRSVIQFG-UHFFFAOYSA-N -1 1 307.777 3.683 20 0 DHADMM CCOc1ccccc1CCC(=O)Nc1ccc(F)cc1[O-] ZINC000532622123 336257119 /nfs/dbraw/zinc/25/71/19/336257119.db2.gz CIXFHVQHUGMKEI-UHFFFAOYSA-N -1 1 303.333 3.501 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])C1CC(c2cccc(F)c2)C1 ZINC000532622003 336257193 /nfs/dbraw/zinc/25/71/93/336257193.db2.gz ZMWPRBQYQXLPMF-UHFFFAOYSA-N -1 1 303.308 3.803 20 0 DHADMM CCC(C)(C)CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000302795113 336369567 /nfs/dbraw/zinc/36/95/67/336369567.db2.gz OMINMKMKLDZRDW-UHFFFAOYSA-N -1 1 300.406 3.709 20 0 DHADMM Cc1cccc(F)c1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000359423051 336672374 /nfs/dbraw/zinc/67/23/74/336672374.db2.gz ZUPIOYZFQXSYLN-UHFFFAOYSA-N -1 1 322.386 3.545 20 0 DHADMM C[C@H]1C[C@@H](c2cccs2)CN1C(=O)c1cc(F)ccc1[O-] ZINC000362008827 336781893 /nfs/dbraw/zinc/78/18/93/336781893.db2.gz IIYIBGXWIONCGQ-WDEREUQCSA-N -1 1 305.374 3.611 20 0 DHADMM O=C(Nc1nc(-c2ccco2)cs1)c1c(F)ccc([O-])c1F ZINC000362760019 336811028 /nfs/dbraw/zinc/81/10/28/336811028.db2.gz OQJKJKGKRRGQOW-UHFFFAOYSA-N -1 1 322.292 3.639 20 0 DHADMM O=C(N[C@@H]1CC[C@H](c2ccccc2F)C1)c1ccc([O-])cc1F ZINC000369537562 336866586 /nfs/dbraw/zinc/86/65/86/336866586.db2.gz RUEYTDKBFFAVSM-NWDGAFQWSA-N -1 1 317.335 3.737 20 0 DHADMM O=c1cc(C(F)F)nc(SCc2cccc3cccnc32)[n-]1 ZINC000582329393 336923250 /nfs/dbraw/zinc/92/32/50/336923250.db2.gz PKYVOERPGMFIGT-UHFFFAOYSA-N -1 1 319.336 3.960 20 0 DHADMM CN(C(=O)c1cc(Cl)ccc1[O-])[C@H]1CCCc2cccnc21 ZINC000375886828 337022092 /nfs/dbraw/zinc/02/20/92/337022092.db2.gz AJNPIMCQXIDJII-AWEZNQCLSA-N -1 1 316.788 3.590 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1CCC=C(c2ccco2)C1 ZINC000376035605 337025655 /nfs/dbraw/zinc/02/56/55/337025655.db2.gz DIQRIHHVXHBPCD-UHFFFAOYSA-N -1 1 303.745 3.568 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H]1/C=C/c1cccs1 ZINC000376303325 337030973 /nfs/dbraw/zinc/03/09/73/337030973.db2.gz LNFGUYRCBQJXBG-HOSRBBHYSA-N -1 1 317.385 3.911 20 0 DHADMM [O-]c1ccc(-c2noc(C3(C4CC4)CCOCC3)n2)c(Cl)c1 ZINC000377462566 337052971 /nfs/dbraw/zinc/05/29/71/337052971.db2.gz JFZSKXKBEWQJNF-UHFFFAOYSA-N -1 1 320.776 3.554 20 0 DHADMM CC(C)c1[nH]ncc1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000193785032 337080167 /nfs/dbraw/zinc/08/01/67/337080167.db2.gz MJRGBDIMCFRWEE-UHFFFAOYSA-N -1 1 314.172 3.798 20 0 DHADMM O=C(Nc1nc2ccccc2n1C1CCCC1)c1cncc([O-])c1 ZINC000172724262 337130573 /nfs/dbraw/zinc/13/05/73/337130573.db2.gz PIRYRTPBFKLBIU-UHFFFAOYSA-N -1 1 322.368 3.504 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccsc2)c1 ZINC000182922871 337190693 /nfs/dbraw/zinc/19/06/93/337190693.db2.gz VLIHAFCQOHLRSK-UHFFFAOYSA-N -1 1 312.188 3.777 20 0 DHADMM CCOc1cc(C(=O)N2Cc3ccccc3C2)cc(Cl)c1[O-] ZINC000186787618 337259626 /nfs/dbraw/zinc/25/96/26/337259626.db2.gz RVLUJAWBGRPCDK-UHFFFAOYSA-N -1 1 317.772 3.600 20 0 DHADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1c(Cl)cccc1Cl ZINC000397479922 337264914 /nfs/dbraw/zinc/26/49/14/337264914.db2.gz DEGXXEGZQMRBAZ-NXEZZACHSA-N -1 1 302.201 3.679 20 0 DHADMM C[C@@H]1CCCCCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000231346720 337277451 /nfs/dbraw/zinc/27/74/51/337277451.db2.gz UKQDHOLFTRUYGC-SNVBAGLBSA-N -1 1 312.207 3.559 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN(C)[C@H](C)c1sc(C)nc1C ZINC000516187654 338006144 /nfs/dbraw/zinc/00/61/44/338006144.db2.gz HWUXAUQIUBMNGP-SNVBAGLBSA-N -1 1 322.430 3.807 20 0 DHADMM [O-]c1ccc(-c2noc(COc3ccccc3)n2)c(Cl)c1 ZINC000445450836 338015655 /nfs/dbraw/zinc/01/56/55/338015655.db2.gz XHAOBYSWKMAVMR-UHFFFAOYSA-N -1 1 302.717 3.675 20 0 DHADMM CCCCn1ncc(-c2nc(-c3ccc([O-])cc3F)no2)c1C ZINC000445456612 338017608 /nfs/dbraw/zinc/01/76/08/338017608.db2.gz ORYQYDNLTMZHJI-UHFFFAOYSA-N -1 1 316.336 3.553 20 0 DHADMM CCCc1nc(C)c(-c2nc(-c3ccc([O-])cc3F)no2)s1 ZINC000445458224 338017962 /nfs/dbraw/zinc/01/79/62/338017962.db2.gz XADWJUZWVWYGSP-UHFFFAOYSA-N -1 1 319.361 3.966 20 0 DHADMM CCOc1ccc(Cc2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445457346 338018299 /nfs/dbraw/zinc/01/82/99/338018299.db2.gz YFZLUKBGWXONGP-UHFFFAOYSA-N -1 1 314.316 3.571 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cccc(OC(F)F)c3)n2)c(F)c1 ZINC000445461487 338022399 /nfs/dbraw/zinc/02/23/99/338022399.db2.gz XIOLOYVAQQJPTC-UHFFFAOYSA-N -1 1 322.242 3.850 20 0 DHADMM CCc1nc(CNCc2cc(C)c(C)cc2C)ccc1C(=O)[O-] ZINC000426666749 338037599 /nfs/dbraw/zinc/03/75/99/338037599.db2.gz VBPGLUVBSYGXRL-UHFFFAOYSA-N -1 1 312.413 3.557 20 0 DHADMM O=C([O-])C[C@@H](NCc1ccsc1Cl)c1ccsc1 ZINC000426698538 338038455 /nfs/dbraw/zinc/03/84/55/338038455.db2.gz YYCKAJOVYDYMFG-SNVBAGLBSA-N -1 1 301.820 3.769 20 0 DHADMM O=C([O-])[C@H](NCc1cc(F)ccc1F)c1cccc(Cl)c1 ZINC000426731402 338039657 /nfs/dbraw/zinc/03/96/57/338039657.db2.gz DZDIZCFFNSDBMI-CQSZACIVSA-N -1 1 311.715 3.534 20 0 DHADMM C[C@H](C(=O)[O-])[C@@H](NCc1ccsc1Cl)c1ccccc1 ZINC000426753091 338040764 /nfs/dbraw/zinc/04/07/64/338040764.db2.gz GTABETUINHGNPB-GXFFZTMASA-N -1 1 309.818 3.953 20 0 DHADMM Cc1nc(C[N@@H+](C)CCCC(=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000430670720 338110986 /nfs/dbraw/zinc/11/09/86/338110986.db2.gz VCNSTGMXFSSQON-UHFFFAOYSA-N -1 1 322.792 3.600 20 0 DHADMM Cc1nc(CN(C)CCCC(=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000430670720 338110987 /nfs/dbraw/zinc/11/09/87/338110987.db2.gz VCNSTGMXFSSQON-UHFFFAOYSA-N -1 1 322.792 3.600 20 0 DHADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)cc1 ZINC000432643397 338161582 /nfs/dbraw/zinc/16/15/82/338161582.db2.gz PNPLIQALAWEKBZ-UHFFFAOYSA-N -1 1 314.410 3.921 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2c(C)c(F)ccc2Cl)s1 ZINC000433141269 338182907 /nfs/dbraw/zinc/18/29/07/338182907.db2.gz NKRIFTHGIGWABS-UHFFFAOYSA-N -1 1 319.810 3.958 20 0 DHADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(C)c(OC)c2C)c1 ZINC000433502031 338195990 /nfs/dbraw/zinc/19/59/90/338195990.db2.gz NXFYOCTWLJFRNW-UHFFFAOYSA-N -1 1 319.426 3.675 20 0 DHADMM CCC(=O)c1cccc(NC(=O)c2cc(-c3ccc(C)o3)n[nH]2)c1 ZINC000434336450 338214721 /nfs/dbraw/zinc/21/47/21/338214721.db2.gz YGILASXNJYAQLM-UHFFFAOYSA-N -1 1 323.352 3.823 20 0 DHADMM CC[C@H](C)c1ncc(NC(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000434538346 338219697 /nfs/dbraw/zinc/21/96/97/338219697.db2.gz RFRRIVRSUQPMOG-VIFPVBQESA-N -1 1 320.780 3.993 20 0 DHADMM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000434635340 338222188 /nfs/dbraw/zinc/22/21/88/338222188.db2.gz WCXQYQQJPXSDEM-UHFFFAOYSA-N -1 1 323.389 3.560 20 0 DHADMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000436160074 338259992 /nfs/dbraw/zinc/25/99/92/338259992.db2.gz HOWFYUNZXLTEEQ-UHFFFAOYSA-N -1 1 318.373 3.725 20 0 DHADMM O=C(NCC1CCC(F)(F)CC1)c1cc(Cl)ccc1[O-] ZINC000436516074 338274783 /nfs/dbraw/zinc/27/47/83/338274783.db2.gz ULYGQYOQDSYDCH-UHFFFAOYSA-N -1 1 303.736 3.601 20 0 DHADMM O=C(NCc1ccc2ccccc2n1)c1cc(Cl)ccc1[O-] ZINC000436526552 338275173 /nfs/dbraw/zinc/27/51/73/338275173.db2.gz JPRRTJVIUXWQFU-UHFFFAOYSA-N -1 1 312.756 3.524 20 0 DHADMM O=C(NCCCc1ccc(O)cc1)c1ccc2ccccc2c1[O-] ZINC000436528295 338275321 /nfs/dbraw/zinc/27/53/21/338275321.db2.gz KXEZTSBDEHKYIQ-UHFFFAOYSA-N -1 1 321.376 3.614 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H](Cc2ccccc2)C1 ZINC000436556827 338276809 /nfs/dbraw/zinc/27/68/09/338276809.db2.gz REIFXTSTSLNSPN-OAHLLOKOSA-N -1 1 313.372 3.626 20 0 DHADMM C[C@@H](CCc1cccn1C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000436567315 338277544 /nfs/dbraw/zinc/27/75/44/338277544.db2.gz SEPLVUJUFZWVHR-AWEZNQCLSA-N -1 1 322.408 3.635 20 0 DHADMM CC(C)[C@H](CNC(=O)c1cc(Cl)ccc1[O-])c1cccnc1 ZINC000436574546 338277814 /nfs/dbraw/zinc/27/78/14/338277814.db2.gz GICZXMYSJRKMAC-HNNXBMFYSA-N -1 1 318.804 3.610 20 0 DHADMM O=C(C(=O)N1CCCCC[C@H]1c1ccccc1)c1ccc([O-])cc1 ZINC000436576944 338277943 /nfs/dbraw/zinc/27/79/43/338277943.db2.gz NJIDTAUVSGYURE-SFHVURJKSA-N -1 1 323.392 3.719 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2ccc3c(c2)NC(=O)CC3)c([O-])c1 ZINC000436592955 338278976 /nfs/dbraw/zinc/27/89/76/338278976.db2.gz ZPNMNKSFXDQSPM-UHFFFAOYSA-N -1 1 324.380 3.653 20 0 DHADMM Cc1ccc(CO)cc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436595776 338279157 /nfs/dbraw/zinc/27/91/57/338279157.db2.gz NXPCHKATFVVWKQ-UHFFFAOYSA-N -1 1 307.349 3.598 20 0 DHADMM O=C(N[C@@H]1CCCC(F)(F)C1)c1cc2ccccc2cc1[O-] ZINC000436604289 338279520 /nfs/dbraw/zinc/27/95/20/338279520.db2.gz NYEBRSLTUYEECT-CYBMUJFWSA-N -1 1 305.324 3.853 20 0 DHADMM Cc1c2ccccc2oc1[C@@H](C)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436605327 338279570 /nfs/dbraw/zinc/27/95/70/338279570.db2.gz KHLMOTGVRRKVKF-GFCCVEGCSA-N -1 1 323.348 3.507 20 0 DHADMM O=C(N[C@@H]1CCCC(F)(F)C1)c1ccc2ccccc2c1[O-] ZINC000436610845 338279730 /nfs/dbraw/zinc/27/97/30/338279730.db2.gz XVDZXHCGOBROBK-GFCCVEGCSA-N -1 1 305.324 3.853 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000436626001 338280496 /nfs/dbraw/zinc/28/04/96/338280496.db2.gz HADVIRBUAOGCPR-CDNLZTBQSA-N -1 1 311.356 3.849 20 0 DHADMM O=C(NCc1coc2ccccc12)c1ccc(Cl)cc1[O-] ZINC000436644826 338281082 /nfs/dbraw/zinc/28/10/82/338281082.db2.gz BGVVRGNEJCWUHW-UHFFFAOYSA-N -1 1 301.729 3.722 20 0 DHADMM O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccc([O-])cc1 ZINC000436666601 338282107 /nfs/dbraw/zinc/28/21/07/338282107.db2.gz UWCUBOVQTDEMBE-UHFFFAOYSA-N -1 1 310.136 3.520 20 0 DHADMM CSc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1Cl ZINC000436668757 338282155 /nfs/dbraw/zinc/28/21/55/338282155.db2.gz FKYHQVCSSQLYLB-UHFFFAOYSA-N -1 1 309.774 3.725 20 0 DHADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccc2ncsc2c1 ZINC000436683120 338282641 /nfs/dbraw/zinc/28/26/41/338282641.db2.gz SPQSBSIULPNOPM-SECBINFHSA-N -1 1 316.357 3.632 20 0 DHADMM [O-]c1ccc(-c2noc([C@H]3C[C@@H]3c3ccc(F)cc3)n2)c(F)c1 ZINC000436683393 338282715 /nfs/dbraw/zinc/28/27/15/338282715.db2.gz UDJGOTBXJWNXPN-KGLIPLIRSA-N -1 1 314.291 3.992 20 0 DHADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccncc1F ZINC000436691006 338282976 /nfs/dbraw/zinc/28/29/76/338282976.db2.gz WSPYRDXYXGOAJS-LLVKDONJSA-N -1 1 310.328 3.571 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1Cc2cccc(Cl)c2C1 ZINC000436733225 338284733 /nfs/dbraw/zinc/28/47/33/338284733.db2.gz UNRWYNYALTWLBJ-UHFFFAOYSA-N -1 1 308.164 3.855 20 0 DHADMM CC(C)c1ccc(CN(C)C(=O)c2cc(F)ccc2[O-])cc1 ZINC000436755424 338285828 /nfs/dbraw/zinc/28/58/28/338285828.db2.gz MXMLGYXIZVZDDA-UHFFFAOYSA-N -1 1 301.361 3.927 20 0 DHADMM CCN(Cc1ccccc1)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436762301 338286158 /nfs/dbraw/zinc/28/61/58/338286158.db2.gz BXSVXHZORJPVAL-UHFFFAOYSA-N -1 1 319.788 3.717 20 0 DHADMM CCOc1ccc(N(CC)C(=O)c2cc(F)ccc2[O-])cc1 ZINC000436763797 338286471 /nfs/dbraw/zinc/28/64/71/338286471.db2.gz ZVLYDIGDAQWAGE-UHFFFAOYSA-N -1 1 303.333 3.597 20 0 DHADMM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cc(F)ccc3[O-])C2)cc1 ZINC000436829809 338288973 /nfs/dbraw/zinc/28/89/73/338288973.db2.gz TYWHKGRXEAKGKV-HIFRSBDPSA-N -1 1 313.372 3.858 20 0 DHADMM CCc1ccc(C(=O)N2CCN(C3CC3)c3ccccc32)c([O-])c1 ZINC000436837949 338289375 /nfs/dbraw/zinc/28/93/75/338289375.db2.gz LQIICZVRRFMEOR-UHFFFAOYSA-N -1 1 322.408 3.584 20 0 DHADMM C[C@H]1CCN(C(=O)c2ccc([O-])cc2F)[C@H]1c1cccc(F)c1 ZINC000436878337 338291258 /nfs/dbraw/zinc/29/12/58/338291258.db2.gz FUHUCOXRGPCVOZ-APPDUMDISA-N -1 1 317.335 3.894 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1CCC(CC(F)(F)F)CC1 ZINC000436883487 338291813 /nfs/dbraw/zinc/29/18/13/338291813.db2.gz AEJDATJVHNNUTM-UHFFFAOYSA-N -1 1 321.726 3.850 20 0 DHADMM [O-]c1c(-c2nc(Cc3cscn3)no2)ccc2ccccc21 ZINC000436896483 338292452 /nfs/dbraw/zinc/29/24/52/338292452.db2.gz MYUWKPHRQPOQCB-UHFFFAOYSA-N -1 1 309.350 3.643 20 0 DHADMM CC(C)c1scnc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436955232 338295805 /nfs/dbraw/zinc/29/58/05/338295805.db2.gz JQWAMRXGBWGUPU-UHFFFAOYSA-N -1 1 305.334 3.828 20 0 DHADMM CCOc1cc(-c2noc(C[C@@H]3C[C@@H]3C)n2)cc(Cl)c1[O-] ZINC000436956789 338295827 /nfs/dbraw/zinc/29/58/27/338295827.db2.gz UGULUPUBQRYTCS-IUCAKERBSA-N -1 1 308.765 3.693 20 0 DHADMM CSCc1cccnc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000436986502 338296717 /nfs/dbraw/zinc/29/67/17/338296717.db2.gz GDWSUQSAPYEYSX-UHFFFAOYSA-N -1 1 308.790 3.556 20 0 DHADMM O=C(N[C@H](CC1CCC1)c1ccccc1)C(=O)c1ccc([O-])cc1 ZINC000436994971 338297104 /nfs/dbraw/zinc/29/71/04/338297104.db2.gz BFQBKZICZHOBNX-GOSISDBHSA-N -1 1 323.392 3.623 20 0 DHADMM [O-]c1ccc(F)cc1-c1nc(-c2ccc(OC(F)F)cc2)no1 ZINC000436995550 338297163 /nfs/dbraw/zinc/29/71/63/338297163.db2.gz QPMIJGQKAIVAIQ-UHFFFAOYSA-N -1 1 322.242 3.850 20 0 DHADMM CO[C@@H](CNC(=O)c1cc2ccccc2cc1[O-])c1ccccc1 ZINC000437003575 338297266 /nfs/dbraw/zinc/29/72/66/338297266.db2.gz KIKPEEUHSPOSLV-IBGZPJMESA-N -1 1 321.376 3.663 20 0 DHADMM O=C(N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)c1c([O-])cccc1F ZINC000437005091 338297448 /nfs/dbraw/zinc/29/74/48/338297448.db2.gz VENDYNKZUYVMAX-GXTWGEPZSA-N -1 1 317.335 3.737 20 0 DHADMM O=C(NC[C@@H]1CCC(F)(F)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000437006511 338297501 /nfs/dbraw/zinc/29/75/01/338297501.db2.gz XWQQZFJHUDYMGD-MRVPVSSYSA-N -1 1 323.261 3.576 20 0 DHADMM CCOc1cc(C(=O)[N-]c2nc3c(cc(C)cc3C)s2)on1 ZINC000448605741 338349362 /nfs/dbraw/zinc/34/93/62/338349362.db2.gz RPNGDSABEKKFPV-UHFFFAOYSA-N -1 1 317.370 3.552 20 0 DHADMM Cc1cc([N-]S(=O)(=O)c2ccccc2)ccc1C(F)(F)F ZINC000438762692 338351764 /nfs/dbraw/zinc/35/17/64/338351764.db2.gz XEPFMUAQDMCTCI-UHFFFAOYSA-N -1 1 315.316 3.815 20 0 DHADMM CCN(Cc1ccccc1C)C(=O)c1c(F)ccc([O-])c1F ZINC000438780002 338352066 /nfs/dbraw/zinc/35/20/66/338352066.db2.gz PZNJKNVKYPHEJC-UHFFFAOYSA-N -1 1 305.324 3.641 20 0 DHADMM CCC[C@@H](C(=O)Nc1ccc([O-])c(F)c1F)c1ccccn1 ZINC000456775772 338940074 /nfs/dbraw/zinc/94/00/74/338940074.db2.gz DLSMPEAPLYUQLQ-SNVBAGLBSA-N -1 1 306.312 3.588 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)c1cc2c(s1)CCCC2 ZINC000456794495 338941118 /nfs/dbraw/zinc/94/11/18/338941118.db2.gz QRPLYIXEOWTCFE-UHFFFAOYSA-N -1 1 309.337 3.863 20 0 DHADMM CC(C)(c1ccccc1)C1(NC(=O)c2ccc([O-])cc2F)CC1 ZINC000456801875 338941402 /nfs/dbraw/zinc/94/14/02/338941402.db2.gz FZSCHPWTTQXGKS-UHFFFAOYSA-N -1 1 313.372 3.772 20 0 DHADMM CC1(CC(F)(F)F)CN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000457149912 338953220 /nfs/dbraw/zinc/95/32/20/338953220.db2.gz ZCCKYPAKNFUZBD-UHFFFAOYSA-N -1 1 323.314 3.960 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](C)C(C)(F)F)c1 ZINC000498216779 339119512 /nfs/dbraw/zinc/11/95/12/339119512.db2.gz QWTFHBMGTXAXDN-ZETCQYMHSA-N -1 1 322.149 3.693 20 0 DHADMM CC[C@H]1CCC[C@H]1Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000465053602 339167039 /nfs/dbraw/zinc/16/70/39/339167039.db2.gz UPRPENWZUNOMMQ-DZGCQCFKSA-N -1 1 312.417 3.852 20 0 DHADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(F)c1C ZINC000467076822 339225817 /nfs/dbraw/zinc/22/58/17/339225817.db2.gz YHJAYHQMOBDLQA-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM Cc1cc([N-]S(=O)(=O)c2ccc3ncsc3c2)ccc1F ZINC000479523749 339539246 /nfs/dbraw/zinc/53/92/46/339539246.db2.gz GCFNBQYNIUZORG-UHFFFAOYSA-N -1 1 322.386 3.545 20 0 DHADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc2ncsc2c1 ZINC000488232606 339773945 /nfs/dbraw/zinc/77/39/45/339773945.db2.gz OGJNAAGTWKFJEV-UHFFFAOYSA-N -1 1 318.423 3.660 20 0 DHADMM O=C(Cc1c[nH]c2cccc(Cl)c12)Nc1ccc(F)cc1[O-] ZINC000490653150 339836720 /nfs/dbraw/zinc/83/67/20/339836720.db2.gz WRNBWFYWIBVPEU-UHFFFAOYSA-N -1 1 318.735 3.847 20 0 DHADMM CSc1cccc(NC(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000496851226 340014578 /nfs/dbraw/zinc/01/45/78/340014578.db2.gz IEDDCAVSWBUCRJ-UHFFFAOYSA-N -1 1 309.778 3.807 20 0 DHADMM CC(C)CCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000506218692 340189091 /nfs/dbraw/zinc/18/90/91/340189091.db2.gz WBBDYZGJKGVRBM-UHFFFAOYSA-N -1 1 316.275 3.769 20 0 DHADMM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC000506729527 340200338 /nfs/dbraw/zinc/20/03/38/340200338.db2.gz IUMVTWDLNWQQDW-NSHDSACASA-N -1 1 311.428 3.726 20 0 DHADMM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC000506729526 340200340 /nfs/dbraw/zinc/20/03/40/340200340.db2.gz IUMVTWDLNWQQDW-LLVKDONJSA-N -1 1 311.428 3.726 20 0 DHADMM O=S(=O)([N-]c1ccc(Cl)cc1F)c1cccc(F)c1F ZINC000509629272 340275061 /nfs/dbraw/zinc/27/50/61/340275061.db2.gz RULVWSZFOBWMBB-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM C[C@H](CNC(=O)c1cc2ccccc2cc1[O-])Oc1ccccc1 ZINC000303666207 340341041 /nfs/dbraw/zinc/34/10/41/340341041.db2.gz WJCKLIXXYIWTQJ-CQSZACIVSA-N -1 1 321.376 3.743 20 0 DHADMM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000512005836 340345074 /nfs/dbraw/zinc/34/50/74/340345074.db2.gz IUMVJXUSDYKBOF-BQBZGAKWSA-N -1 1 316.275 3.768 20 0 DHADMM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000512005846 340345102 /nfs/dbraw/zinc/34/51/02/340345102.db2.gz IUMVJXUSDYKBOF-RNFRBKRXSA-N -1 1 316.275 3.768 20 0 DHADMM CSc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C)cc1 ZINC000174058091 340381171 /nfs/dbraw/zinc/38/11/71/340381171.db2.gz DSZIJUHHSIDDON-UHFFFAOYSA-N -1 1 311.403 3.657 20 0 DHADMM CC[C@H](CNC(=O)c1c(F)ccc([O-])c1F)c1ccccc1 ZINC000516684941 340453929 /nfs/dbraw/zinc/45/39/29/340453929.db2.gz KUHRFMRPSUCYEP-LLVKDONJSA-N -1 1 305.324 3.594 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)C[C@@H]2C=CCC2)c1 ZINC000182911684 340485888 /nfs/dbraw/zinc/48/58/88/340485888.db2.gz IGUVNTXUNDQHIY-SNVBAGLBSA-N -1 1 310.191 3.758 20 0 DHADMM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000184767622 340495611 /nfs/dbraw/zinc/49/56/11/340495611.db2.gz QKZCOONMZHUGOF-XHDPSFHLSA-N -1 1 311.809 3.970 20 0 DHADMM COc1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc(OC)c1 ZINC000190916924 340548023 /nfs/dbraw/zinc/54/80/23/340548023.db2.gz KAGLLVHLCLPWPL-UHFFFAOYSA-N -1 1 322.748 3.707 20 0 DHADMM Cc1[n-][nH]c(=O)c1NC(=O)C1(c2ccccc2)CCCCCC1 ZINC000529419902 340754846 /nfs/dbraw/zinc/75/48/46/340754846.db2.gz CAQVXRGOLYOJGR-UHFFFAOYSA-N -1 1 313.401 3.654 20 0 DHADMM CC(C)Cc1ccccc1CNC(=O)c1c(F)ccc([O-])c1F ZINC000529568333 340763628 /nfs/dbraw/zinc/76/36/28/340763628.db2.gz XONRXWWMKBWCIJ-UHFFFAOYSA-N -1 1 319.351 3.799 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])c1ccc([C@@H]2CCCOC2)cc1 ZINC000530006317 340775923 /nfs/dbraw/zinc/77/59/23/340775923.db2.gz RHWPMHDLSMZLAU-CQSZACIVSA-N -1 1 315.344 3.678 20 0 DHADMM CC(C)(C)n1nc(C(=O)Nc2cccc(F)c2[O-])cc1C1CC1 ZINC000530007607 340776000 /nfs/dbraw/zinc/77/60/00/340776000.db2.gz YCNQVZLBBKISOB-UHFFFAOYSA-N -1 1 317.364 3.613 20 0 DHADMM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)[C@H](C)c1ccccc1 ZINC000538387799 340819758 /nfs/dbraw/zinc/81/97/58/340819758.db2.gz WQPRQQVGOBTECG-WDEREUQCSA-N -1 1 305.324 3.592 20 0 DHADMM C[C@@H](C1CC1)N(C(=O)c1cc(Br)ccc1[O-])C1CC1 ZINC000127541520 340852512 /nfs/dbraw/zinc/85/25/12/340852512.db2.gz UKNVBPUUZZRKFM-VIFPVBQESA-N -1 1 324.218 3.558 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2Cl)s1 ZINC000131011463 341056150 /nfs/dbraw/zinc/05/61/50/341056150.db2.gz WDVYMWHECUWFCM-UHFFFAOYSA-N -1 1 301.820 3.819 20 0 DHADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)Cc2cccc(C)c2)n[nH]1 ZINC000545152541 341110415 /nfs/dbraw/zinc/11/04/15/341110415.db2.gz IJTGDICJTPNOSX-ZDUSSCGKSA-N -1 1 321.446 3.564 20 0 DHADMM CCOc1cc(C(=O)N2C[C@H](C)C[C@@H]2CC)cc(Cl)c1[O-] ZINC000546558131 341173026 /nfs/dbraw/zinc/17/30/26/341173026.db2.gz JOOHRQQKENSOTM-PWSUYJOCSA-N -1 1 311.809 3.705 20 0 DHADMM Cc1cccc2nc(-c3cc(OC4CCC4)ccn3)[n-]c(=O)c12 ZINC000546751735 341181622 /nfs/dbraw/zinc/18/16/22/341181622.db2.gz WMKWDQYPSZXVEF-UHFFFAOYSA-N -1 1 307.353 3.637 20 0 DHADMM CCOc1cc(C(=O)N(C)[C@@H](C)C(C)(C)C)cc(Cl)c1[O-] ZINC000547290798 341203777 /nfs/dbraw/zinc/20/37/77/341203777.db2.gz LMDZTIUEMUTOHR-JTQLQIEISA-N -1 1 313.825 3.951 20 0 DHADMM CC[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1nccs1 ZINC000134238457 341210324 /nfs/dbraw/zinc/21/03/24/341210324.db2.gz SXSBOZKGONIRAM-CQSZACIVSA-N -1 1 312.394 3.883 20 0 DHADMM CCC(CC)C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000134380739 341214324 /nfs/dbraw/zinc/21/43/24/341214324.db2.gz VICCYMTUGJKFOC-UHFFFAOYSA-N -1 1 316.275 3.769 20 0 DHADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(C(C)=O)c(C)c2)c1 ZINC000134767730 341223622 /nfs/dbraw/zinc/22/36/22/341223622.db2.gz ZKLGCWXSVFZIQN-UHFFFAOYSA-N -1 1 317.410 3.561 20 0 DHADMM COc1cc(C(=O)Nc2nc(C3CC3)cs2)cc(Cl)c1[O-] ZINC000134980736 341228025 /nfs/dbraw/zinc/22/80/25/341228025.db2.gz NYVGCDJDWKXHEV-UHFFFAOYSA-N -1 1 324.789 3.640 20 0 DHADMM Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000547809554 341233665 /nfs/dbraw/zinc/23/36/65/341233665.db2.gz SLJMGUZIOIQZNW-MRVPVSSYSA-N -1 1 307.781 3.518 20 0 DHADMM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cc(F)ccc1[O-] ZINC000080029293 341268846 /nfs/dbraw/zinc/26/88/46/341268846.db2.gz PUZQTROORQSZPT-WCQYABFASA-N -1 1 317.335 3.689 20 0 DHADMM COCc1ccc(CSc2nc(C(F)F)cc(=O)[n-]2)cc1 ZINC000549066826 341285324 /nfs/dbraw/zinc/28/53/24/341285324.db2.gz JMZKRPGDPLNHRI-UHFFFAOYSA-N -1 1 312.341 3.559 20 0 DHADMM O=C(Nc1c([O-])cc(Br)cc1Cl)C1CCCC1 ZINC000552207674 341378498 /nfs/dbraw/zinc/37/84/98/341378498.db2.gz ZWPADCGKHDPMDJ-UHFFFAOYSA-N -1 1 318.598 3.937 20 0 DHADMM Cc1noc(C2CC2)c1NC(=O)c1ccc2ccccc2c1[O-] ZINC000154164446 341585827 /nfs/dbraw/zinc/58/58/27/341585827.db2.gz OCJKSQAIZRYPCB-UHFFFAOYSA-N -1 1 308.337 3.972 20 0 DHADMM COc1cc(C(=O)NC(C2CCC2)C2CCC2)cc(Cl)c1[O-] ZINC000572628860 341698258 /nfs/dbraw/zinc/69/82/58/341698258.db2.gz YPYRYPYPOBXEEC-UHFFFAOYSA-N -1 1 323.820 3.753 20 0 DHADMM COc1cc(C(=O)NC[C@H]2CCCC2(C)C)cc(Cl)c1[O-] ZINC000574071511 341747508 /nfs/dbraw/zinc/74/75/08/341747508.db2.gz FSKQVHJUTUESNG-LLVKDONJSA-N -1 1 311.809 3.610 20 0 DHADMM CC(C)c1cc(C(=O)[N-]c2nc(-c3ccsc3)ns2)no1 ZINC000156824523 519832862 /nfs/dbraw/zinc/83/28/62/519832862.db2.gz LKICVAKARIMADZ-UHFFFAOYSA-N -1 1 320.399 3.630 20 0 DHADMM [O-]c1cccc(CNc2cccnc2OCC(F)F)c1Cl ZINC000339334325 526360175 /nfs/dbraw/zinc/36/01/75/526360175.db2.gz GPERQEGWDSNPFR-UHFFFAOYSA-N -1 1 314.719 3.697 20 0 DHADMM C[C@H](Sc1cccc(F)c1-c1nn[n-]n1)c1ccccc1F ZINC000736193768 598242521 /nfs/dbraw/zinc/24/25/21/598242521.db2.gz SVDPRZYDFILALS-VIFPVBQESA-N -1 1 318.352 3.998 20 0 DHADMM Fc1cccc(SCCCc2ccccc2)c1-c1nn[n-]n1 ZINC000737665631 598788961 /nfs/dbraw/zinc/78/89/61/598788961.db2.gz SVVYEFJGTWHDRE-UHFFFAOYSA-N -1 1 314.389 3.731 20 0 DHADMM O=C([O-])[C@H](NCc1ccc(Cl)cc1)c1cc(F)ccc1F ZINC000683174531 599788063 /nfs/dbraw/zinc/78/80/63/599788063.db2.gz UAVMSLVNNGMTHA-CQSZACIVSA-N -1 1 311.715 3.534 20 0 DHADMM O=C([O-])[C@@H](NCc1ccc(Cl)s1)c1cc(F)ccc1F ZINC000683174765 599788157 /nfs/dbraw/zinc/78/81/57/599788157.db2.gz QNRBUHMVGSDXNO-LBPRGKRZSA-N -1 1 317.744 3.595 20 0 DHADMM Cc1cc(CN[C@@H](C(=O)[O-])c2cc(F)ccc2F)c(C)s1 ZINC000738388689 599788859 /nfs/dbraw/zinc/78/88/59/599788859.db2.gz LPGSKYYVUWYUIU-CQSZACIVSA-N -1 1 311.353 3.559 20 0 DHADMM C[C@@H](CN(Cc1csc(-c2ccsc2)n1)C1CC1)C(=O)[O-] ZINC000571570371 599947344 /nfs/dbraw/zinc/94/73/44/599947344.db2.gz CHYYCLYQODLKNU-JTQLQIEISA-N -1 1 322.455 3.557 20 0 DHADMM C[C@H](CN(Cc1csc(C2CCCCC2)n1)C1CC1)C(=O)[O-] ZINC000565367440 599948226 /nfs/dbraw/zinc/94/82/26/599948226.db2.gz ODZAORWNMOHFKY-GFCCVEGCSA-N -1 1 322.474 3.876 20 0 DHADMM C[C@@H](CN(Cc1csc(C2CCCCC2)n1)C1CC1)C(=O)[O-] ZINC000565367441 599948356 /nfs/dbraw/zinc/94/83/56/599948356.db2.gz ODZAORWNMOHFKY-LBPRGKRZSA-N -1 1 322.474 3.876 20 0 DHADMM C[C@H](N[C@@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1Cl ZINC000050509821 600241200 /nfs/dbraw/zinc/24/12/00/600241200.db2.gz AOWKHOCLTXQGKK-ZUZCIYMTSA-N -1 1 307.752 3.956 20 0 DHADMM CCC[C@@](C)(NCc1cc(-c2ccc(Cl)cc2)no1)C(=O)[O-] ZINC000736963098 600321399 /nfs/dbraw/zinc/32/13/99/600321399.db2.gz QNRLSEMDRUIXRP-MRXNPFEDSA-N -1 1 322.792 3.728 20 0 DHADMM Cc1cc(CN2CCS[C@H](c3ccccc3)C2)oc1C(=O)[O-] ZINC000738386021 600411934 /nfs/dbraw/zinc/41/19/34/600411934.db2.gz RBGQUIHDQOWKMY-HNNXBMFYSA-N -1 1 317.410 3.576 20 0 DHADMM CC(C)Oc1ccccc1CN[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736493260 600426193 /nfs/dbraw/zinc/42/61/93/600426193.db2.gz RNIMHHINXQKMES-KRWDZBQOSA-N -1 1 317.360 3.528 20 0 DHADMM C[C@H]1SCCN(Cc2cc(C(=O)[O-])co2)[C@H]1c1ccccc1 ZINC000576234019 600490437 /nfs/dbraw/zinc/49/04/37/600490437.db2.gz RDCOFAMMVIPUHO-MLGOLLRUSA-N -1 1 317.410 3.656 20 0 DHADMM C[C@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1ccc(F)c(F)c1 ZINC000827718107 600732270 /nfs/dbraw/zinc/73/22/70/600732270.db2.gz OTQJZZNGZYRAGN-BJOHPYRUSA-N -1 1 309.287 3.580 20 0 DHADMM CCOc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000830064469 600734480 /nfs/dbraw/zinc/73/44/80/600734480.db2.gz STLJRHBJKNLJHO-PXAZEXFGSA-N -1 1 317.360 3.701 20 0 DHADMM COc1ccc(C)cc1[C@@H](C)N[C@H](C(=O)[O-])c1ccccc1F ZINC000832251844 600734540 /nfs/dbraw/zinc/73/45/40/600734540.db2.gz DAOGXQSEEDQHFB-PXAZEXFGSA-N -1 1 317.360 3.619 20 0 DHADMM CN(Cc1ccoc1)Cc1c2ccccc2sc1C(=O)[O-] ZINC000048910605 600818743 /nfs/dbraw/zinc/81/87/43/600818743.db2.gz NXDAGJJBKGZHQW-UHFFFAOYSA-N -1 1 301.367 3.825 20 0 DHADMM C[C@@H]1C[C@H](c2cccc(F)c2)N(Cc2cc(C(=O)[O-])co2)C1 ZINC000578634820 600836081 /nfs/dbraw/zinc/83/60/81/600836081.db2.gz KJDZODALKNLKPI-BDJLRTHQSA-N -1 1 303.333 3.700 20 0 DHADMM Cc1oc(CN(C)[C@H]2CCc3ccc(F)cc32)cc1C(=O)[O-] ZINC000568064549 601154429 /nfs/dbraw/zinc/15/44/29/601154429.db2.gz IBCVJEJKYDWAJI-INIZCTEOSA-N -1 1 303.333 3.545 20 0 DHADMM C/C(=C/CN(Cc1ccco1)Cc1ccc(C)s1)C(=O)[O-] ZINC000825729174 601158449 /nfs/dbraw/zinc/15/84/49/601158449.db2.gz BFYMVHQYVVCKEQ-GHXNOFRVSA-N -1 1 305.399 3.683 20 0 DHADMM Cc1sc(C(=O)[O-])cc1CN1CCc2sccc2[C@@H]1C ZINC000122752120 601615758 /nfs/dbraw/zinc/61/57/58/601615758.db2.gz BSCZFLXJSRNITR-VIFPVBQESA-N -1 1 307.440 3.936 20 0 DHADMM COc1ccccc1C(C)(C)NCc1cc(C(=O)[O-])sc1C ZINC000832589892 601628586 /nfs/dbraw/zinc/62/85/86/601628586.db2.gz VQFBEUHLWLGPIK-UHFFFAOYSA-N -1 1 319.426 3.788 20 0 DHADMM Cc1ccc([C@H]2CCCN2Cc2ccc(C(=O)[O-])c(F)c2)o1 ZINC000574413552 601640147 /nfs/dbraw/zinc/64/01/47/601640147.db2.gz KMZFOTVNCPNBBV-OAHLLOKOSA-N -1 1 303.333 3.762 20 0 DHADMM C[C@@H](C(=O)[O-])[C@H](NCc1cc(F)ccc1F)c1ccccc1 ZINC000426749524 601652320 /nfs/dbraw/zinc/65/23/20/601652320.db2.gz GMECHFUUXIXIAO-BZNIZROVSA-N -1 1 305.324 3.516 20 0 DHADMM O=C([O-])c1cccc(CN2CC(c3nc4ccccc4s3)C2)c1 ZINC000833328784 601802484 /nfs/dbraw/zinc/80/24/84/601802484.db2.gz RGXBPVAYOCJOHR-UHFFFAOYSA-N -1 1 324.405 3.594 20 0 DHADMM Cc1nc(C(C)(C)NCc2ccc(C(=O)[O-])s2)sc1C ZINC000832994756 601962318 /nfs/dbraw/zinc/96/23/18/601962318.db2.gz ZNPICXGQQPBMLH-UHFFFAOYSA-N -1 1 310.444 3.545 20 0 DHADMM Cc1csc(C2(NCc3ccc(C(=O)[O-])s3)CCCC2)n1 ZINC000832988905 601962357 /nfs/dbraw/zinc/96/23/57/601962357.db2.gz NTYFVWKXNNKYRX-UHFFFAOYSA-N -1 1 322.455 3.770 20 0 DHADMM Cc1c2ccccc2oc1CNCc1ccc(NC(=O)[O-])nc1 ZINC000829859376 603555933 /nfs/dbraw/zinc/55/59/33/603555933.db2.gz MLYJPIUZPIHUPU-UHFFFAOYSA-N -1 1 311.341 3.516 20 0 DHADMM C[C@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1cc(Cl)sc1Cl ZINC000827718787 604289777 /nfs/dbraw/zinc/28/97/77/604289777.db2.gz YBXLPBDVYMNQDN-JGVFFNPUSA-N -1 1 323.245 3.848 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H]1c1cccc(C)n1 ZINC000830368726 604367818 /nfs/dbraw/zinc/36/78/18/604367818.db2.gz ASNYQHWTCXBSGF-HNNXBMFYSA-N -1 1 314.385 3.581 20 0 DHADMM CC(C)Oc1cccc(CN(C)Cc2ccsc2C(=O)[O-])c1 ZINC000582186764 604619444 /nfs/dbraw/zinc/61/94/44/604619444.db2.gz PQEBZAISWLYTNF-UHFFFAOYSA-N -1 1 319.426 3.866 20 0 DHADMM CN(C/C=C/Cl)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000830722667 604670908 /nfs/dbraw/zinc/67/09/08/604670908.db2.gz HBWYTSDYUMDMNQ-DGXRNCNBSA-N -1 1 308.592 3.803 20 0 DHADMM CCc1ccc([C@@H](C)NCc2ccc(CCNC(=O)[O-])cc2)o1 ZINC000827577919 604942347 /nfs/dbraw/zinc/94/23/47/604942347.db2.gz SXOVAXZINPUTBQ-CYBMUJFWSA-N -1 1 316.401 3.503 20 0 DHADMM C[C@@H](NCc1cc(C(=O)[O-])co1)c1ccc(Br)cc1 ZINC000228169418 605060126 /nfs/dbraw/zinc/06/01/26/605060126.db2.gz PLZZKZKVRGDKOI-SECBINFHSA-N -1 1 324.174 3.591 20 0 DHADMM CCc1ccc([C@@H](C)NCc2ccc(C(=O)[O-])cc2F)cc1 ZINC000833670953 605062014 /nfs/dbraw/zinc/06/20/14/605062014.db2.gz PYESXQZTYNZKAP-GFCCVEGCSA-N -1 1 301.361 3.937 20 0 DHADMM COc1ccc(C)cc1[C@H](C)NCc1ccsc1C(=O)[O-] ZINC000833731213 605065276 /nfs/dbraw/zinc/06/52/76/605065276.db2.gz WGLGMXXNROPWGC-NSHDSACASA-N -1 1 305.399 3.614 20 0 DHADMM CCCOc1ccc([C@H](C)NCc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000833652698 605086949 /nfs/dbraw/zinc/08/69/49/605086949.db2.gz XVGRMFFGTIHGBA-LBPRGKRZSA-N -1 1 317.385 3.926 20 0 DHADMM CCN(Cc1cccc(NCc2[nH]nc3ccccc32)c1)C(=O)[O-] ZINC000827172062 605245711 /nfs/dbraw/zinc/24/57/11/605245711.db2.gz VGECDTIKYURTFI-UHFFFAOYSA-N -1 1 324.384 3.675 20 0 DHADMM CC(C)CSCCN[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833491633 605360295 /nfs/dbraw/zinc/36/02/95/605360295.db2.gz UUQRDICBEKLIIK-CYBMUJFWSA-N -1 1 319.829 3.584 20 0 DHADMM O=C([O-])N[C@@H]1C[C@H](NCc2cc(F)ccc2F)c2ccccc21 ZINC000834156460 605797346 /nfs/dbraw/zinc/79/73/46/605797346.db2.gz AGOIXEJEOIKLLV-JKSUJKDBSA-N -1 1 318.323 3.508 20 0 DHADMM CC[C@@H](NCc1cc(C(=O)[O-])ccc1F)c1ccc(OC)cc1 ZINC000833644368 605843787 /nfs/dbraw/zinc/84/37/87/605843787.db2.gz OOHFZTDOCZUJGB-QGZVFWFLSA-N -1 1 317.360 3.773 20 0 DHADMM C[C@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)c1cccs1 ZINC000736140309 944749858 /nfs/dbraw/zinc/74/98/58/944749858.db2.gz TYSYEPIJYOHIAQ-JTQLQIEISA-N -1 1 322.397 3.650 20 0 DHADMM C[C@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)c1cccs1 ZINC000736140309 944749864 /nfs/dbraw/zinc/74/98/64/944749864.db2.gz TYSYEPIJYOHIAQ-JTQLQIEISA-N -1 1 322.397 3.650 20 0 DHADMM CC(C)Sc1ccc([C@@H](C)NC(=O)c2cncc([O-])c2)cc1 ZINC000339922282 1013086410 /nfs/dbraw/zinc/08/64/10/1013086410.db2.gz FDLPKLVXWWCLGM-GFCCVEGCSA-N -1 1 316.426 3.779 20 0 DHADMM O=C([O-])c1ccc(CN2CC(Cc3ccccc3Cl)C2)cc1 ZINC000263391529 950432354 /nfs/dbraw/zinc/43/23/54/950432354.db2.gz FIHIALDCXHVPPP-UHFFFAOYSA-N -1 1 315.800 3.713 20 0 DHADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1cc(Cl)ccc1Cl ZINC000263490247 950488357 /nfs/dbraw/zinc/48/83/57/950488357.db2.gz IHZWRICYJCKUAS-UWVGGRQHSA-N -1 1 302.201 3.679 20 0 DHADMM O=C([O-])[C@@H]1C[C@@H](NCc2ccc(F)c(F)c2F)c2ccccc21 ZINC001594903986 954657871 /nfs/dbraw/zinc/65/78/71/954657871.db2.gz ZCOUAPHIXZBMMY-TZMCWYRMSA-N -1 1 321.298 3.507 20 0 DHADMM O=C([O-])[C@H]1CN(C/C=C/c2ccc(F)cc2)Cc2ccccc21 ZINC001594954211 954973027 /nfs/dbraw/zinc/97/30/27/954973027.db2.gz ZKOOXGFTNRYQOE-WHLIDYPQSA-N -1 1 311.356 3.523 20 0 DHADMM C[C@H](N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccc(Cl)cn1 ZINC001589123153 956143716 /nfs/dbraw/zinc/14/37/16/956143716.db2.gz JACMQRCYIALFGD-JMPLFQLZSA-N -1 1 316.788 3.699 20 0 DHADMM C[C@@H]1[C@@H](C(F)(F)F)CCCN1Cc1ccc(C(=O)[O-])s1 ZINC000903683510 956863767 /nfs/dbraw/zinc/86/37/67/956863767.db2.gz QSWGCBMGAPMCST-SCZZXKLOSA-N -1 1 307.337 3.609 20 0 DHADMM C[C@H]1[C@H](C(F)(F)F)CCCN1Cc1ccc(C(=O)[O-])s1 ZINC000903683511 956864296 /nfs/dbraw/zinc/86/42/96/956864296.db2.gz QSWGCBMGAPMCST-WCBMZHEXSA-N -1 1 307.337 3.609 20 0 DHADMM C[C@](NCc1ccccc1Cl)(C(=O)[O-])c1ccc(F)cc1 ZINC000041753473 957392899 /nfs/dbraw/zinc/39/28/99/957392899.db2.gz AGMQSBVNPGWDAJ-MRXNPFEDSA-N -1 1 307.752 3.569 20 0 DHADMM CSc1ccc(F)cc1CNCc1ccc(C(=O)[O-])s1 ZINC001594193915 959183205 /nfs/dbraw/zinc/18/32/05/959183205.db2.gz PMMBQZLSTZATMG-UHFFFAOYSA-N -1 1 311.403 3.597 20 0 DHADMM COc1ccccc1[C@H]1CCCN1C(=O)c1cccc([O-])c1F ZINC001143565394 1013187362 /nfs/dbraw/zinc/18/73/62/1013187362.db2.gz NCEAWHVHDMVPCK-CQSZACIVSA-N -1 1 315.344 3.517 20 0 DHADMM Cc1nc([C@H](C)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c(C)s1 ZINC001594449827 959357722 /nfs/dbraw/zinc/35/77/22/959357722.db2.gz OBWQQSOVZCWHOL-ULKVUYOBSA-N -1 1 316.426 3.724 20 0 DHADMM C[C@](NCc1ccc(F)cc1Cl)(C(=O)[O-])c1ccccc1 ZINC001333120082 961642148 /nfs/dbraw/zinc/64/21/48/961642148.db2.gz DRAGYOMGYCTIIR-MRXNPFEDSA-N -1 1 307.752 3.569 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1SCCc2sccc21 ZINC000340330905 1013498266 /nfs/dbraw/zinc/49/82/66/1013498266.db2.gz NAWVESWLCBZGSJ-ZDUSSCGKSA-N -1 1 309.387 3.562 20 0 DHADMM Cc1nc2cc(F)ccc2cc1C(=O)Nc1ccc(F)cc1[O-] ZINC000340332176 1013499449 /nfs/dbraw/zinc/49/94/49/1013499449.db2.gz LXSMSZJJSUKVLV-UHFFFAOYSA-N -1 1 314.291 3.779 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1SCCc2ccccc21 ZINC000340332360 1013500680 /nfs/dbraw/zinc/50/06/80/1013500680.db2.gz RKKHCRITLFHMHF-HNNXBMFYSA-N -1 1 303.358 3.500 20 0 DHADMM CC[C@@H](C)[C@@H](NCc1ccc(-c2ccc(C)cc2)o1)C(=O)[O-] ZINC000426767515 1013502437 /nfs/dbraw/zinc/50/24/37/1013502437.db2.gz NPVSRDJNMLLAAG-CXAGYDPISA-N -1 1 301.386 3.844 20 0 DHADMM Cc1cc(Nc2cc3ccc([O-])cc3oc2=O)ccc1N(C)C ZINC001210043582 1013507633 /nfs/dbraw/zinc/50/76/33/1013507633.db2.gz WEVBGDOSMKYZRD-UHFFFAOYSA-N -1 1 310.353 3.617 20 0 DHADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)N=NC3)c1 ZINC000039785902 1013657837 /nfs/dbraw/zinc/65/78/37/1013657837.db2.gz DGOHUOKQDXVGOB-UHFFFAOYSA-N -1 1 301.371 3.702 20 0 DHADMM C[C@@H]1CCN(Cc2cc(Cl)ccc2Cl)C[C@H]1C(=O)[O-] ZINC000574276892 968455042 /nfs/dbraw/zinc/45/50/42/968455042.db2.gz NYGGITNUDKOMOZ-BXKDBHETSA-N -1 1 302.201 3.536 20 0 DHADMM COc1cc(C(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)cc(Cl)c1[O-] ZINC000334091247 1013886807 /nfs/dbraw/zinc/88/68/07/1013886807.db2.gz GWMNOLROHHFWDP-IAZYJMLFSA-N -1 1 311.809 3.609 20 0 DHADMM Cn1ncc2cc(Nc3cc(Cl)c([O-])c(Cl)c3)cnc21 ZINC001210925980 1014088461 /nfs/dbraw/zinc/08/84/61/1014088461.db2.gz FPBYYMNONIGCHS-UHFFFAOYSA-N -1 1 309.156 3.724 20 0 DHADMM CCc1c(Cl)cc(Nc2cncc(CO)c2)c([O-])c1Cl ZINC001211107133 1014161441 /nfs/dbraw/zinc/16/14/41/1014161441.db2.gz JMQLJBPMHGBQKV-UHFFFAOYSA-N -1 1 313.184 3.892 20 0 DHADMM O=C([O-])c1occc1CN1CCC[C@@H]1c1ccccc1Cl ZINC000519823992 974335841 /nfs/dbraw/zinc/33/58/41/974335841.db2.gz GGFUDXDIGREEQF-CQSZACIVSA-N -1 1 305.761 3.968 20 0 DHADMM C[C@]12CCN(Cc3cccc(C(=O)[O-])c3Cl)C[C@H]1C2(F)F ZINC000563455874 974535001 /nfs/dbraw/zinc/53/50/01/974535001.db2.gz RFVSLZBQRYSDQM-RISCZKNCSA-N -1 1 315.747 3.515 20 0 DHADMM CC[C@@H]1c2ccsc2CCN1Cc1cc(C)c(C(=O)[O-])o1 ZINC000565101479 974567591 /nfs/dbraw/zinc/56/75/91/974567591.db2.gz MFYZNHMKHFQAQB-CYBMUJFWSA-N -1 1 305.399 3.857 20 0 DHADMM CC[C@H]1c2ccsc2CCN1Cc1cc(C)c(C(=O)[O-])o1 ZINC000565101480 974568038 /nfs/dbraw/zinc/56/80/38/974568038.db2.gz MFYZNHMKHFQAQB-ZDUSSCGKSA-N -1 1 305.399 3.857 20 0 DHADMM O=C([O-])c1occc1CN1CCC[C@H]1c1cccc(Cl)c1 ZINC000569731991 974698052 /nfs/dbraw/zinc/69/80/52/974698052.db2.gz CNHBNLILQGIAJL-AWEZNQCLSA-N -1 1 305.761 3.968 20 0 DHADMM COc1cccc([C@H]2CCCN2Cc2cc(C)c(C(=O)[O-])o2)c1 ZINC000577736970 974841656 /nfs/dbraw/zinc/84/16/56/974841656.db2.gz DBDLDQJUNXCIRQ-MRXNPFEDSA-N -1 1 315.369 3.632 20 0 DHADMM C[C@@H](CN(Cc1nc2ccccc2o1)Cc1ccccc1)C(=O)[O-] ZINC000578660588 974860283 /nfs/dbraw/zinc/86/02/83/974860283.db2.gz NOIYWAZHLRIUFC-AWEZNQCLSA-N -1 1 324.380 3.551 20 0 DHADMM O=C([O-])c1ccoc1CN1CCC[C@@H]1c1cccc(Cl)c1 ZINC000580574733 974896972 /nfs/dbraw/zinc/89/69/72/974896972.db2.gz IICMIWIMXWWDPL-CQSZACIVSA-N -1 1 305.761 3.968 20 0 DHADMM Cc1sc(C(=O)[O-])cc1CN(C)Cc1ccc(F)c(F)c1 ZINC000652388311 975518091 /nfs/dbraw/zinc/51/80/91/975518091.db2.gz PCGVHWMCDKSPEZ-UHFFFAOYSA-N -1 1 311.353 3.665 20 0 DHADMM CC[C@H](C)CO[N-]C(=O)[C@H](C)c1ccc(Br)cc1 ZINC000794851981 1029955294 /nfs/dbraw/zinc/95/52/94/1029955294.db2.gz NFXNAJODOBTLIN-WDEREUQCSA-N -1 1 314.223 3.647 20 0 DHADMM CC12CC(C1)CN2[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000663315705 975942564 /nfs/dbraw/zinc/94/25/64/975942564.db2.gz MUQCKTNSIGIUEY-ZAQGZADTSA-N -1 1 300.185 3.603 20 0 DHADMM CC(C)Oc1ccccc1CNCc1ccsc1C(=O)[O-] ZINC001591804768 976031089 /nfs/dbraw/zinc/03/10/89/976031089.db2.gz VCEHMHBEZJJVTN-UHFFFAOYSA-N -1 1 305.399 3.523 20 0 DHADMM CC(C)c1[nH]c(CN2CCC=C(c3ccco3)C2)cc1C(=O)[O-] ZINC001591912695 976349788 /nfs/dbraw/zinc/34/97/88/976349788.db2.gz QOYARUOMXDFRAT-UHFFFAOYSA-N -1 1 314.385 3.719 20 0 DHADMM CC(C)c1ccc([C@H](NCc2oncc2C(=O)[O-])C(C)C)cc1 ZINC001591949338 976506681 /nfs/dbraw/zinc/50/66/81/976506681.db2.gz VBGGQXCEJQBTTN-QGZVFWFLSA-N -1 1 316.401 3.983 20 0 DHADMM O=C(Cc1cccs1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000160621989 1014335723 /nfs/dbraw/zinc/33/57/23/1014335723.db2.gz DESUMKGPQAAWAH-UHFFFAOYSA-N -1 1 315.316 3.557 20 0 DHADMM Cc1cc(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)no1 ZINC001167439643 1014468778 /nfs/dbraw/zinc/46/87/78/1014468778.db2.gz CHGYDPJTFJSJGO-UHFFFAOYSA-N -1 1 302.717 3.748 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)/C=C\c2ccco2)c1 ZINC000588396296 1014479263 /nfs/dbraw/zinc/47/92/63/1014479263.db2.gz FHJKRSNWRXJZIJ-PLNGDYQASA-N -1 1 322.158 3.708 20 0 DHADMM CCCc1cc(=O)[n-]c(SCc2ccc(OC)c(F)c2)n1 ZINC000255932823 1014498417 /nfs/dbraw/zinc/49/84/17/1014498417.db2.gz QVHGVGVRYLXFGT-UHFFFAOYSA-N -1 1 308.378 3.575 20 0 DHADMM C[C@@H]1C(=O)CC[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1(C)C ZINC000276015703 1014531591 /nfs/dbraw/zinc/53/15/91/1014531591.db2.gz UKTPPQCRZBTKQW-KOLCDFICSA-N -1 1 309.793 3.626 20 0 DHADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(Cl)c(Cl)c1 ZINC000263483003 1014549742 /nfs/dbraw/zinc/54/97/42/1014549742.db2.gz GRQXGSXNFJRFRO-KOLCDFICSA-N -1 1 302.201 3.679 20 0 DHADMM [O-]c1cc(F)c(Nc2ccc(Cl)c(CO)c2F)cc1F ZINC001215611391 1014570919 /nfs/dbraw/zinc/57/09/19/1014570919.db2.gz WKDPOAOYJOFZGY-UHFFFAOYSA-N -1 1 303.667 3.699 20 0 DHADMM Cc1cc([C@@H](C)NCc2ccc(/C=C\C(=O)[O-])o2)c(C)s1 ZINC000902110730 980739346 /nfs/dbraw/zinc/73/93/46/980739346.db2.gz CQHCDECDUIFELM-JMEBYUIHSA-N -1 1 305.399 3.907 20 0 DHADMM CC[C@H](c1ccc(F)cc1)N(C)Cc1ccc(C(=O)[O-])cn1 ZINC001595359530 980742409 /nfs/dbraw/zinc/74/24/09/980742409.db2.gz DBCKRSUZBCRHFA-MRXNPFEDSA-N -1 1 302.349 3.502 20 0 DHADMM CCc1oc(CN[C@H]2CCc3c2cccc3Cl)cc1C(=O)[O-] ZINC000902173039 980767426 /nfs/dbraw/zinc/76/74/26/980767426.db2.gz FRQPIQDSDBGFRP-HNNXBMFYSA-N -1 1 319.788 3.971 20 0 DHADMM CCc1oc(CN2CCCc3sccc3C2)cc1C(=O)[O-] ZINC000902235596 980794825 /nfs/dbraw/zinc/79/48/25/980794825.db2.gz WHLFPMROOUFDTN-UHFFFAOYSA-N -1 1 305.399 3.550 20 0 DHADMM CCc1oc(CNCc2ccc(C(F)F)cc2)cc1C(=O)[O-] ZINC000902283856 980817211 /nfs/dbraw/zinc/81/72/11/980817211.db2.gz KZBCURUJRPYIJS-UHFFFAOYSA-N -1 1 309.312 3.768 20 0 DHADMM Cc1cccc([C@@H](NCc2cc(C(=O)[O-])no2)C(C)(C)C)c1 ZINC000902337503 980837979 /nfs/dbraw/zinc/83/79/79/980837979.db2.gz KNUKASUIIASKDB-OAHLLOKOSA-N -1 1 302.374 3.558 20 0 DHADMM Cc1cc(CNC(C)(C)c2ccc(F)c(F)c2)oc1C(=O)[O-] ZINC000902340939 980840077 /nfs/dbraw/zinc/84/00/77/980840077.db2.gz MIFOYRNKQPNKIA-UHFFFAOYSA-N -1 1 309.312 3.589 20 0 DHADMM CC(C)c1ccc2c(c1)[C@H](NCc1cc(C(=O)[O-])no1)CCC2 ZINC000902422596 980879894 /nfs/dbraw/zinc/87/98/94/980879894.db2.gz DUEQBPHZELUNEC-MRXNPFEDSA-N -1 1 314.385 3.663 20 0 DHADMM O=C([O-])/C=C\c1ccc(CNCc2ccc(C3CCC3)cc2)o1 ZINC000902441521 980888930 /nfs/dbraw/zinc/88/89/30/980888930.db2.gz ANEIQUKUKXUFJC-KHPPLWFESA-N -1 1 311.381 3.935 20 0 DHADMM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC(F)CC1 ZINC000903607569 980988248 /nfs/dbraw/zinc/98/82/48/980988248.db2.gz KGTULIYGAGESTO-GFCCVEGCSA-N -1 1 306.164 3.553 20 0 DHADMM O=C([O-])[C@@H](c1ccc(Cl)cc1Cl)N1CCC(F)CC1 ZINC000903607982 980988627 /nfs/dbraw/zinc/98/86/27/980988627.db2.gz POIAXBBAUABQLX-GFCCVEGCSA-N -1 1 306.164 3.553 20 0 DHADMM COc1cc(C(=O)Nc2ccc(C)c(O)c2C)cc(Cl)c1[O-] ZINC000442671918 1014712406 /nfs/dbraw/zinc/71/24/06/1014712406.db2.gz OBZWSARSCAFJLO-UHFFFAOYSA-N -1 1 321.760 3.629 20 0 DHADMM COc1cc(C(=O)NCCC2CCCCC2)cc(Cl)c1[O-] ZINC000442864413 1014750735 /nfs/dbraw/zinc/75/07/35/1014750735.db2.gz ZGFHJZJRKRLUSO-UHFFFAOYSA-N -1 1 311.809 3.754 20 0 DHADMM CCCCC1(NCc2coc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC001595656622 982054105 /nfs/dbraw/zinc/05/41/05/982054105.db2.gz BKDSINIXQGIYPH-UHFFFAOYSA-N -1 1 314.385 3.852 20 0 DHADMM O=C(C[C@@H](c1ccc(O)cc1)C1CC1)Nc1c([O-])cccc1F ZINC000665304366 1014822495 /nfs/dbraw/zinc/82/24/95/1014822495.db2.gz RHVVABCHQCLXNN-CQSZACIVSA-N -1 1 315.344 3.759 20 0 DHADMM COc1cc(C(=O)N2CC[C@H](C)C(C)(C)C2)cc(Cl)c1[O-] ZINC000443128260 1014823323 /nfs/dbraw/zinc/82/33/23/1014823323.db2.gz LCADNRAAJOVLGT-JTQLQIEISA-N -1 1 311.809 3.562 20 0 DHADMM CCS[C@@H](C)c1noc(-c2cc(Cl)c([O-])c(OC)c2)n1 ZINC000443221511 1014849074 /nfs/dbraw/zinc/84/90/74/1014849074.db2.gz LLCFVSTULHVSJG-ZETCQYMHSA-N -1 1 314.794 3.918 20 0 DHADMM CCc1cc2c(COC(=O)C(C)(C)CC)cc(=O)oc2cc1[O-] ZINC000728341061 1014926112 /nfs/dbraw/zinc/92/61/12/1014926112.db2.gz BWTJOUIVUMACKB-UHFFFAOYSA-N -1 1 318.369 3.540 20 0 DHADMM CCN([C@@H](C)Cc1ccsc1)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001596177919 983547066 /nfs/dbraw/zinc/54/70/66/983547066.db2.gz JPJJPZQPJUBBTI-QWRGUYRKSA-N -1 1 324.471 3.917 20 0 DHADMM CCN(Cc1ccc(C(=O)[O-])cc1F)[C@@H](C)c1cccc(O)c1 ZINC001596357579 983828403 /nfs/dbraw/zinc/82/84/03/983828403.db2.gz JAKJMIMIYZTZEV-LBPRGKRZSA-N -1 1 317.360 3.813 20 0 DHADMM C[C@@H]1CCc2c(C(=O)Nc3c([O-])cccc3F)csc2C1 ZINC000605438362 1015030223 /nfs/dbraw/zinc/03/02/23/1015030223.db2.gz SSDDOJHNWBVAPY-SECBINFHSA-N -1 1 305.374 3.970 20 0 DHADMM CSc1ccccc1CN(C)C(=O)c1ccc([O-])c(F)c1 ZINC000684336877 1015060067 /nfs/dbraw/zinc/06/00/67/1015060067.db2.gz VRYVYBKEXDNOGX-UHFFFAOYSA-N -1 1 305.374 3.525 20 0 DHADMM C/C(=C\c1ccccc1)CN(C)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001589003494 984953239 /nfs/dbraw/zinc/95/32/39/984953239.db2.gz BREBTZBEEBXKPX-GCHFJXRNSA-N -1 1 311.381 3.913 20 0 DHADMM CCC[C@@H](C(=O)[O-])N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000656758925 1015131289 /nfs/dbraw/zinc/13/12/89/1015131289.db2.gz PZNRMEVVMLGIIP-LBPRGKRZSA-N -1 1 302.201 3.605 20 0 DHADMM CCOc1ccc2nc(S[C@H](CC(C)C)C(=O)[O-])[nH]c2c1 ZINC001597145951 986908101 /nfs/dbraw/zinc/90/81/01/986908101.db2.gz PRPJNHPHXZGCQS-CYBMUJFWSA-N -1 1 308.403 3.553 20 0 DHADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1csc(C2CCCCC2)n1 ZINC000581725912 1015271550 /nfs/dbraw/zinc/27/15/50/1015271550.db2.gz NUYWDPKFNKNGGJ-JSGCOSHPSA-N -1 1 322.474 3.876 20 0 DHADMM CC[C@@H](NCc1cc(C(=O)[O-])ccc1OC)c1ccccc1F ZINC001597291548 987378279 /nfs/dbraw/zinc/37/82/79/987378279.db2.gz LELORAGPGCLOJU-MRXNPFEDSA-N -1 1 317.360 3.773 20 0 DHADMM COc1cccc(-c2noc([N-][C@@H](c3ccccn3)C3CC3)n2)c1 ZINC000895792712 1015304882 /nfs/dbraw/zinc/30/48/82/1015304882.db2.gz GBQKEOIFAHQPLU-MRXNPFEDSA-N -1 1 322.368 3.703 20 0 DHADMM CCc1[nH]c(CN(Cc2cccs2)C2CC2)cc1C(=O)[O-] ZINC001597383356 987582857 /nfs/dbraw/zinc/58/28/57/987582857.db2.gz DNQCBTPUGHALLA-UHFFFAOYSA-N -1 1 304.415 3.501 20 0 DHADMM CCc1[nH]c(CN2CC[C@H](C)C[C@H]2c2ccco2)cc1C(=O)[O-] ZINC001597384244 987586707 /nfs/dbraw/zinc/58/67/07/987586707.db2.gz ISJTWARUWNPWBE-LRDDRELGSA-N -1 1 316.401 3.842 20 0 DHADMM CSc1ccccc1CN1CCc2c(cccc2C(=O)[O-])C1 ZINC001599823765 988560338 /nfs/dbraw/zinc/56/03/38/988560338.db2.gz CQQXJJWJJNXXQX-UHFFFAOYSA-N -1 1 313.422 3.665 20 0 DHADMM CSc1ccccc1CN(C)[C@H](C)c1ccc(C(=O)[O-])o1 ZINC001599824082 988566279 /nfs/dbraw/zinc/56/62/79/988566279.db2.gz QDHCLJFSYYYWIV-LLVKDONJSA-N -1 1 305.399 3.893 20 0 DHADMM CCc1nc(C)c([C@@H](C)N(C)Cc2cc(C(=O)[O-])cs2)s1 ZINC001597656896 988713543 /nfs/dbraw/zinc/71/35/43/988713543.db2.gz HFBKPHYUUOESFS-SNVBAGLBSA-N -1 1 324.471 3.967 20 0 DHADMM O=C([O-])C[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000054299692 1015491436 /nfs/dbraw/zinc/49/14/36/1015491436.db2.gz KOZDSFKOLZQQAX-JTQLQIEISA-N -1 1 302.201 3.680 20 0 DHADMM CC(C)(C)c1ccc(CNCc2[nH]cc(C(=O)[O-])c2C2CC2)o1 ZINC001590487580 990089017 /nfs/dbraw/zinc/08/90/17/990089017.db2.gz RBKOJBAFNRTXTA-UHFFFAOYSA-N -1 1 316.401 3.771 20 0 DHADMM COc1cccc([C@H](NCc2c(C)cccc2Cl)C(=O)[O-])c1 ZINC001599688209 991022724 /nfs/dbraw/zinc/02/27/24/991022724.db2.gz SGXVWOKCJOQVGL-INIZCTEOSA-N -1 1 319.788 3.573 20 0 DHADMM CC(C)[C@H]1N([C@H](C)c2ncc(C(=O)[O-])s2)CC12CCCC2 ZINC001591100324 991722274 /nfs/dbraw/zinc/72/22/74/991722274.db2.gz VWNBURIMPSFADB-DGCLKSJQSA-N -1 1 308.447 3.803 20 0 DHADMM CC(C)C[C@H](NCc1oncc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001591184940 991989499 /nfs/dbraw/zinc/98/94/99/991989499.db2.gz ZKZKWVABOUCSRR-AWEZNQCLSA-N -1 1 322.792 3.903 20 0 DHADMM CN(CCOc1ccccc1)Cc1cc(C(=O)[O-])ccc1Cl ZINC001598499490 992412608 /nfs/dbraw/zinc/41/26/08/992412608.db2.gz AJMBOKNXFXISQR-UHFFFAOYSA-N -1 1 319.788 3.549 20 0 DHADMM CC(C)Cn1ccnc1NCc1cc(C(=O)[O-])ccc1Cl ZINC001591525493 992700254 /nfs/dbraw/zinc/70/02/54/992700254.db2.gz AAMHHVCVFHSYSO-UHFFFAOYSA-N -1 1 307.781 3.503 20 0 DHADMM CC(C)N(Cc1ccc(/C=C/C(=O)[O-])o1)Cc1ccc(F)cc1 ZINC001591596536 992822414 /nfs/dbraw/zinc/82/24/14/992822414.db2.gz HCDXNVNDZPOJDS-MDZDMXLPSA-N -1 1 317.360 3.927 20 0 DHADMM C[C@@H](NC1(c2cccc(F)c2)CCC1)c1cncc(C(=O)[O-])c1 ZINC001593211116 994261417 /nfs/dbraw/zinc/26/14/17/994261417.db2.gz WARQOCRMQCXIEX-GFCCVEGCSA-N -1 1 314.360 3.649 20 0 DHADMM C[C@H](NCc1ccc(C(=O)[O-])c(F)c1)c1cccc(F)c1F ZINC001593292026 994673611 /nfs/dbraw/zinc/67/36/11/994673611.db2.gz GGFHOSYXUMXAFS-VIFPVBQESA-N -1 1 309.287 3.653 20 0 DHADMM C[C@H](NCc1cc2ccccc2s1)c1ncc(C(=O)[O-])s1 ZINC001593293680 994685744 /nfs/dbraw/zinc/68/57/44/994685744.db2.gz WXTWDQRRYYZPSJ-VIFPVBQESA-N -1 1 318.423 3.907 20 0 DHADMM COc1cccc(C2(N[C@@H](C)c3cc(C(=O)[O-])co3)CCC2)c1 ZINC001599666682 994740777 /nfs/dbraw/zinc/74/07/77/994740777.db2.gz SMCWWFHIXAFMJG-LBPRGKRZSA-N -1 1 315.369 3.716 20 0 DHADMM COc1ccc(C(=O)Nc2ccc(C)c(-c3ncco3)c2)c([O-])c1 ZINC000150946388 1016007970 /nfs/dbraw/zinc/00/79/70/1016007970.db2.gz BIFQDSCDHDBWGD-UHFFFAOYSA-N -1 1 324.336 3.617 20 0 DHADMM C[C@H](c1nc(C(=O)[O-])co1)N1CCC[C@H](c2ccccc2)CC1 ZINC001593726137 996287689 /nfs/dbraw/zinc/28/76/89/996287689.db2.gz ZWOMVWMVVBUOQV-HIFRSBDPSA-N -1 1 314.385 3.704 20 0 DHADMM C[C@@H](c1ncc(C(=O)[O-])s1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC001593732365 996311555 /nfs/dbraw/zinc/31/15/55/996311555.db2.gz SKEBMHMWKHULGY-CMPLNLGQSA-N -1 1 320.389 3.531 20 0 DHADMM C[C@H](c1ncc(C(=O)[O-])s1)N1CC[C@H](c2cccc(F)c2)C1 ZINC001593732367 996312117 /nfs/dbraw/zinc/31/21/17/996312117.db2.gz SKEBMHMWKHULGY-PWSUYJOCSA-N -1 1 320.389 3.531 20 0 DHADMM COc1ccc(C(=O)[O-])cc1CN(C)Cc1ccc(C)c(C)c1 ZINC001599498530 997064068 /nfs/dbraw/zinc/06/40/68/997064068.db2.gz CYOAUVMZEKKPEI-UHFFFAOYSA-N -1 1 313.397 3.642 20 0 DHADMM COCC[C@@H](N[C@H](C)c1cc(C(=O)[O-])cs1)c1ccc(C)o1 ZINC001599218201 997619353 /nfs/dbraw/zinc/61/93/53/997619353.db2.gz OXVMNROICKWIIM-DGCLKSJQSA-N -1 1 323.414 3.776 20 0 DHADMM COc1ccc(N(C)C(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000320702583 1016240257 /nfs/dbraw/zinc/24/02/57/1016240257.db2.gz GKCOHCHHLMLCLM-UHFFFAOYSA-N -1 1 307.349 3.831 20 0 DHADMM C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1csc(C(=O)[O-])c1 ZINC001594298889 999152404 /nfs/dbraw/zinc/15/24/04/999152404.db2.gz MYPGWPWFOVAKEF-PSASIEDQSA-N -1 1 307.337 3.609 20 0 DHADMM CCc1ccc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)o1 ZINC000277507183 1016469214 /nfs/dbraw/zinc/46/92/14/1016469214.db2.gz XWLDVPALNZRVIK-OAHLLOKOSA-N -1 1 307.777 3.801 20 0 DHADMM CCCNc1ccc(Cl)cc1NC(=O)c1cncc([O-])c1 ZINC000346836886 1016599351 /nfs/dbraw/zinc/59/93/51/1016599351.db2.gz ZVJKIAQSLYDELM-UHFFFAOYSA-N -1 1 305.765 3.515 20 0 DHADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1ncccc1F ZINC000684844413 1016663427 /nfs/dbraw/zinc/66/34/27/1016663427.db2.gz AJBSCGDLFCXAAH-LLVKDONJSA-N -1 1 310.328 3.571 20 0 DHADMM Cc1cccc2c1CCN2C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684871715 1016751218 /nfs/dbraw/zinc/75/12/18/1016751218.db2.gz JJUJVXQYCVHHMW-UHFFFAOYSA-N -1 1 321.298 3.922 20 0 DHADMM C[C@H](c1ccncc1)N(C)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684872165 1016756663 /nfs/dbraw/zinc/75/66/63/1016756663.db2.gz QVLXZLHOMCKFLJ-SNVBAGLBSA-N -1 1 324.302 3.639 20 0 DHADMM O=C(Nc1ccc2c(c1)[C@@H](O)CCCC2)c1ccc(F)c([O-])c1 ZINC001146453666 1032222075 /nfs/dbraw/zinc/22/20/75/1032222075.db2.gz CSZGETMAGDEPGZ-INIZCTEOSA-N -1 1 315.344 3.543 20 0 DHADMM CCCOc1ccc([N-]S(=O)(=O)c2cccc(F)c2)c(C)c1 ZINC000055687836 1032226699 /nfs/dbraw/zinc/22/66/99/1032226699.db2.gz KIYPIZWTTFGCKO-UHFFFAOYSA-N -1 1 323.389 3.724 20 0 DHADMM Cc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc([O-])cc1F ZINC001147074682 1032275250 /nfs/dbraw/zinc/27/52/50/1032275250.db2.gz XILBLEHPUSLUHR-HNNXBMFYSA-N -1 1 313.372 3.687 20 0 DHADMM C[C@]1(CCNC(=O)c2ccc3ccccc3c2[O-])CC1(F)F ZINC001147792810 1032342900 /nfs/dbraw/zinc/34/29/00/1032342900.db2.gz RSIWMWIFRHJSPL-INIZCTEOSA-N -1 1 305.324 3.711 20 0 DHADMM COc1ccc2c(c1)CCN2C(=O)c1cc2ccccc2cc1[O-] ZINC000058715633 1032387747 /nfs/dbraw/zinc/38/77/47/1032387747.db2.gz ZEGBRBWHLIBSNH-UHFFFAOYSA-N -1 1 319.360 3.757 20 0 DHADMM Cc1sc2[n-]c(-c3ccon3)nc(=O)c2c1-c1ccccc1 ZINC000074797459 1017269613 /nfs/dbraw/zinc/26/96/13/1017269613.db2.gz QHPCDGBHHJKIJM-UHFFFAOYSA-N -1 1 309.350 3.615 20 0 DHADMM O=C(Nc1cnccc1C1CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC001148795090 1032446187 /nfs/dbraw/zinc/44/61/87/1032446187.db2.gz SWXAGCCKBDURDG-UHFFFAOYSA-N -1 1 322.286 3.936 20 0 DHADMM C[C@@H](NC(=O)c1cccc(-c2ccccc2)c1[O-])c1ccno1 ZINC001148871902 1032449033 /nfs/dbraw/zinc/44/90/33/1032449033.db2.gz CJVDQTWDNOFFMY-GFCCVEGCSA-N -1 1 308.337 3.538 20 0 DHADMM Cc1ncnc(C)c1NC(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148861762 1032449851 /nfs/dbraw/zinc/44/98/51/1032449851.db2.gz XCWSUVAJSGHACL-UHFFFAOYSA-N -1 1 319.364 3.718 20 0 DHADMM [O-]c1ccc(F)cc1-c1nc(CSCc2ccco2)no1 ZINC000350588655 1017304035 /nfs/dbraw/zinc/30/40/35/1017304035.db2.gz YYEYKUSYFZKUFA-UHFFFAOYSA-N -1 1 306.318 3.608 20 0 DHADMM CC(=O)c1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)o1 ZINC000350589576 1017304618 /nfs/dbraw/zinc/30/46/18/1017304618.db2.gz YWQDULJXGMJFPU-UHFFFAOYSA-N -1 1 304.689 3.558 20 0 DHADMM O=C(Nc1ccc(Cl)cc1[O-])c1ncccc1C(F)(F)F ZINC000092551751 1032501856 /nfs/dbraw/zinc/50/18/56/1032501856.db2.gz FAHLVKHHNVQZMC-UHFFFAOYSA-N -1 1 316.666 3.712 20 0 DHADMM C[C@@H]1CCCN(Cc2ccc(-c3ccccc3F)o2)[C@@H]1C(=O)[O-] ZINC000424417984 1012016618 /nfs/dbraw/zinc/01/66/18/1012016618.db2.gz MZEQVDBAZYNSGQ-PXAZEXFGSA-N -1 1 317.360 3.771 20 0 DHADMM C[C@@H]1CCCN(Cc2ccc(-c3ccccc3F)o2)[C@H]1C(=O)[O-] ZINC000424417986 1012018263 /nfs/dbraw/zinc/01/82/63/1012018263.db2.gz MZEQVDBAZYNSGQ-SJKOYZFVSA-N -1 1 317.360 3.771 20 0 DHADMM CCOc1cc(C(=O)N[C@@H](C)C2CCCC2)cc(Cl)c1[O-] ZINC000186812489 1012101661 /nfs/dbraw/zinc/10/16/61/1012101661.db2.gz VBGCXPFYWSOKHP-JTQLQIEISA-N -1 1 311.809 3.753 20 0 DHADMM O=C(Nc1ccc2oc3ccccc3c2c1)c1cncc([O-])c1 ZINC000320785780 1012115800 /nfs/dbraw/zinc/11/58/00/1012115800.db2.gz HLNWUBBQQZJNOK-UHFFFAOYSA-N -1 1 304.305 3.939 20 0 DHADMM C[C@@H](CN(C)C(=O)c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000066459801 1012526713 /nfs/dbraw/zinc/52/67/13/1012526713.db2.gz UMBBNWIFJRMLDU-LBPRGKRZSA-N -1 1 303.789 3.921 20 0 DHADMM O=C([O-])[C@@H](NCc1cccc(C2CC2)c1)c1ccc(F)cc1F ZINC000515068139 1012554291 /nfs/dbraw/zinc/55/42/91/1012554291.db2.gz AYUQMCHGIHFBCK-KRWDZBQOSA-N -1 1 317.335 3.758 20 0 DHADMM CCc1nc(SCC(=O)C2CCCCCC2)[n-]c(=O)c1C ZINC000515434208 1012627898 /nfs/dbraw/zinc/62/78/98/1012627898.db2.gz HKGKMJMQQCHUTG-UHFFFAOYSA-N -1 1 308.447 3.685 20 0 DHADMM Cc1nc(-c2ccc(N[C@@H](C(C)C)C3CC3)nc2)[n-]c(=O)c1C ZINC000664546130 1012724939 /nfs/dbraw/zinc/72/49/39/1012724939.db2.gz 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CCC(CC)n1nccc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000445465621 1017864641 /nfs/dbraw/zinc/86/46/41/1017864641.db2.gz ZYMCNDUGENOBEQ-UHFFFAOYSA-N -1 1 316.336 3.806 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3ccc4c(c3)CCC4)n2)c(F)c1 ZINC000445465584 1017864848 /nfs/dbraw/zinc/86/48/48/1017864848.db2.gz ZOAYAZAMRNZYPC-UHFFFAOYSA-N -1 1 310.328 3.661 20 0 DHADMM [O-]c1ccc(-c2noc(C(F)(F)c3ccccc3F)n2)cc1F ZINC000445479101 1017874872 /nfs/dbraw/zinc/87/48/72/1017874872.db2.gz UWOFWCHLJFLWKO-UHFFFAOYSA-N -1 1 324.233 3.861 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cc(-c4ccccc4)no3)n2)cc1F ZINC000445478357 1017875033 /nfs/dbraw/zinc/87/50/33/1017875033.db2.gz GQVDTTQWJSXLIX-UHFFFAOYSA-N -1 1 323.283 3.903 20 0 DHADMM COc1cc(C(=O)Nc2cc(F)cc(F)c2)cc(Cl)c1[O-] ZINC000343042321 1018029295 /nfs/dbraw/zinc/02/92/95/1018029295.db2.gz AFFUUZZRNATAMD-UHFFFAOYSA-N -1 1 313.687 3.585 20 0 DHADMM C[C@H]1CCN(Cc2c(Cl)cc(O)cc2Cl)CC[C@@]1(C)O ZINC001142105769 1018313525 /nfs/dbraw/zinc/31/35/25/1018313525.db2.gz 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/nfs/dbraw/zinc/77/88/98/1032778898.db2.gz WRHICNQGLOQJIS-IBGZPJMESA-N -1 1 315.388 3.919 20 0 DHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCCC[C@@H]1C(F)F ZINC000626912934 1018890865 /nfs/dbraw/zinc/89/08/65/1018890865.db2.gz SIHJFWSRZHSRDP-SNVBAGLBSA-N -1 1 323.261 3.671 20 0 DHADMM COC(=O)c1c[n-]c(SCC2CCC(C(F)(F)F)CC2)n1 ZINC000278609420 1018923963 /nfs/dbraw/zinc/92/39/63/1018923963.db2.gz IQFVOEGHALKEFI-UHFFFAOYSA-N -1 1 322.352 3.657 20 0 DHADMM O=C([O-])c1cccc(Cl)c1CN1CCC[C@@H](OC2CCC2)C1 ZINC000656191557 1018937035 /nfs/dbraw/zinc/93/70/35/1018937035.db2.gz NFSAITITMZROSJ-CYBMUJFWSA-N -1 1 323.820 3.572 20 0 DHADMM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc(F)c(Cl)c1 ZINC000007402232 1019025376 /nfs/dbraw/zinc/02/53/76/1019025376.db2.gz HFBSNYWCESYFCR-UHFFFAOYSA-N -1 1 320.172 3.933 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CNCc1cccc(C(F)(F)F)c1 ZINC000318121647 1019025515 /nfs/dbraw/zinc/02/55/15/1019025515.db2.gz ZFGARDBBYUOBLC-UHFFFAOYSA-N -1 1 313.275 3.595 20 0 DHADMM CCc1ccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)s1 ZINC000901826683 1019045751 /nfs/dbraw/zinc/04/57/51/1019045751.db2.gz DSYUOIXPABYRDE-UHFFFAOYSA-N -1 1 316.426 3.571 20 0 DHADMM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000111666447 1019047028 /nfs/dbraw/zinc/04/70/28/1019047028.db2.gz UBNNLELUURWKMY-KBPBESRZSA-N -1 1 317.772 3.796 20 0 DHADMM [O-]c1c(F)cc(Nc2ncccc2N2CCCC2)cc1Cl ZINC001214486583 1019162137 /nfs/dbraw/zinc/16/21/37/1019162137.db2.gz NZBAPEBQKWKWOO-UHFFFAOYSA-N -1 1 307.756 3.924 20 0 DHADMM [O-]c1ccc(-c2noc(C3([C@@H]4CCCCO4)CCC3)n2)c(F)c1 ZINC000866974451 1019172326 /nfs/dbraw/zinc/17/23/26/1019172326.db2.gz PMIBLTCYHBOHRO-AWEZNQCLSA-N -1 1 318.348 3.572 20 0 DHADMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000032098402 1019236313 /nfs/dbraw/zinc/23/63/13/1019236313.db2.gz DRIDQSQBDMUWAS-UHFFFAOYSA-N -1 1 311.353 3.718 20 0 DHADMM O=c1ccc2cc(Nc3cc(F)c([O-])c(Cl)c3)ccc2[nH]1 ZINC001214489655 1019239202 /nfs/dbraw/zinc/23/92/02/1019239202.db2.gz FIVRYLYVRFZRHQ-UHFFFAOYSA-N -1 1 304.708 3.770 20 0 DHADMM O=C(Cc1ccc([O-])c(Cl)c1)NCCc1ccccc1Cl ZINC001626051518 1019294383 /nfs/dbraw/zinc/29/43/83/1019294383.db2.gz PMFKUHHBDVHAAZ-UHFFFAOYSA-N -1 1 324.207 3.600 20 0 DHADMM C[C@H](c1ccc(Cl)cc1Cl)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000739050515 1019363619 /nfs/dbraw/zinc/36/36/19/1019363619.db2.gz AHHJGNCZFGNKPP-ZJUUUORDSA-N -1 1 317.216 3.644 20 0 DHADMM C[C@H](c1ccc(Cl)c(Cl)c1)N1CC[C@H](CNC(=O)[O-])C1 ZINC000739054385 1019366473 /nfs/dbraw/zinc/36/64/73/1019366473.db2.gz RFURWATXYSOIAF-NXEZZACHSA-N -1 1 317.216 3.644 20 0 DHADMM Cc1ccc(-c2ncco2)cc1NC(=O)c1cc(F)ccc1[O-] ZINC000091696340 1019478528 /nfs/dbraw/zinc/47/85/28/1019478528.db2.gz ATAFZWIMMUYBPV-UHFFFAOYSA-N -1 1 312.300 3.747 20 0 DHADMM [O-]c1ccc(F)cc1-c1nc(-c2nccc3ccccc32)no1 ZINC000144689426 1019677536 /nfs/dbraw/zinc/67/75/36/1019677536.db2.gz MVCUKFSNEXHXRA-UHFFFAOYSA-N -1 1 307.284 3.797 20 0 DHADMM [O-]c1ccc(-c2noc(-c3coc(C4CCC4)n3)n2)cc1F ZINC000685366090 1019772357 /nfs/dbraw/zinc/77/23/57/1019772357.db2.gz BYEVCPVBJJYITN-UHFFFAOYSA-N -1 1 301.277 3.504 20 0 DHADMM O=S(=O)([N-]c1ccccc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000063910994 1019838280 /nfs/dbraw/zinc/83/82/80/1019838280.db2.gz SWNNYXLNCBZCFX-UHFFFAOYSA-N -1 1 319.279 3.645 20 0 DHADMM Cc1ccc2c(c1)[C@@H](NC(=O)c1c([O-])cccc1Cl)CC2 ZINC000730287328 1019968395 /nfs/dbraw/zinc/96/83/95/1019968395.db2.gz QJWSFDNLYQOORY-AWEZNQCLSA-N -1 1 301.773 3.771 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N1CC[C@@H](c2ccccc2F)C1 ZINC000730591850 1020008278 /nfs/dbraw/zinc/00/82/78/1020008278.db2.gz PHDVSKDTDIBFFK-LLVKDONJSA-N -1 1 319.763 3.814 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1ccc(C(F)(F)F)s1 ZINC000671784894 1020167850 /nfs/dbraw/zinc/16/78/50/1020167850.db2.gz DOCRVZRWIFMIEU-UHFFFAOYSA-N -1 1 305.252 3.864 20 0 DHADMM C[C@H](c1ccccc1Cl)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000086764080 1020172790 /nfs/dbraw/zinc/17/27/90/1020172790.db2.gz NOTGUZXLORUDOH-NOZJJQNGSA-N -1 1 321.726 3.740 20 0 DHADMM CCN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)[C@H](C)C(C)C ZINC000655090624 1020299365 /nfs/dbraw/zinc/29/93/65/1020299365.db2.gz SGPKXHZFGIHOHW-SNVBAGLBSA-N -1 1 303.324 3.918 20 0 DHADMM CC(C)CCC[C@@H](NCc1csc(C(F)(F)F)n1)C(=O)[O-] ZINC001120087706 1020348838 /nfs/dbraw/zinc/34/88/38/1020348838.db2.gz QQPWAYRCPYIDHC-SNVBAGLBSA-N -1 1 324.368 3.531 20 0 DHADMM FC(F)(F)c1nc(=NCC2(C(F)(F)F)CCCC2)s[n-]1 ZINC000624706002 1020365507 /nfs/dbraw/zinc/36/55/07/1020365507.db2.gz BBHOFBUOPAYYRJ-UHFFFAOYSA-N -1 1 319.274 3.513 20 0 DHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000055546210 1020448056 /nfs/dbraw/zinc/44/80/56/1020448056.db2.gz OLHSZYJZWAKMNC-UHFFFAOYSA-N -1 1 323.801 3.652 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1ccc(N2CCCCC2)cc1 ZINC000673756492 1020478114 /nfs/dbraw/zinc/47/81/14/1020478114.db2.gz QUHQHEXNMRWZPH-UHFFFAOYSA-N -1 1 314.360 3.774 20 0 DHADMM CCCCCc1ccc(Oc2nc3c(cnn3C)c(=O)[n-]2)cc1 ZINC000537791629 1032916163 /nfs/dbraw/zinc/91/61/63/1032916163.db2.gz YTERUXRCYFMEEL-UHFFFAOYSA-N -1 1 312.373 3.594 20 0 DHADMM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1c([O-])cccc1Cl ZINC000734873166 1020672175 /nfs/dbraw/zinc/67/21/75/1020672175.db2.gz XJRKYXSCSCOPQH-PRHODGIISA-N -1 1 323.726 3.610 20 0 DHADMM COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2c([O-])cccc2F)cc1 ZINC000613029438 1020781967 /nfs/dbraw/zinc/78/19/67/1020781967.db2.gz QYXVIXUTLILGMZ-JSGCOSHPSA-N -1 1 315.344 3.672 20 0 DHADMM O=c1nc(N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)cc(Cl)[n-]1 ZINC000858524474 1032933220 /nfs/dbraw/zinc/93/32/20/1032933220.db2.gz DOQABYJAPZXKTR-HOMQSWHASA-N -1 1 310.184 3.847 20 0 DHADMM O=c1nc(NC[C@@H]2CCC[C@H]2c2ccccc2)cc(Cl)[n-]1 ZINC000858558257 1032942665 /nfs/dbraw/zinc/94/26/65/1032942665.db2.gz LVJCPAAXFXFKSS-STQMWFEESA-N -1 1 303.793 3.831 20 0 DHADMM CN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1cc(F)c([O-])c(F)c1 ZINC000175926912 1021086872 /nfs/dbraw/zinc/08/68/72/1021086872.db2.gz VSISSXDSFDDGHH-AWEZNQCLSA-N -1 1 324.714 3.520 20 0 DHADMM Cc1ccc(NC(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC001202422268 1021244997 /nfs/dbraw/zinc/24/49/97/1021244997.db2.gz LJMLLFGDWZMWQF-UHFFFAOYSA-N -1 1 308.341 3.530 20 0 DHADMM FC(F)(F)c1cnc(-c2nc(-c3ccc(Cl)cc3)no2)[n-]1 ZINC001212689936 1033461132 /nfs/dbraw/zinc/46/11/32/1033461132.db2.gz UOAXADOHKZZRON-UHFFFAOYSA-N -1 1 314.654 3.799 20 0 DHADMM FC(F)(F)c1c[n-]c(-c2nc(-c3ccc(Cl)cc3)no2)n1 ZINC001212689936 1033461140 /nfs/dbraw/zinc/46/11/40/1033461140.db2.gz UOAXADOHKZZRON-UHFFFAOYSA-N -1 1 314.654 3.799 20 0 DHADMM O=C(c1cc(Br)ccc1[O-])N1CCC2(CCCC2)C1 ZINC000174849761 1021331778 /nfs/dbraw/zinc/33/17/78/1021331778.db2.gz QLGDNDIEHXPOGZ-UHFFFAOYSA-N -1 1 324.218 3.561 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1ccc2ccc(Cl)cc2n1 ZINC000084403717 1021335513 /nfs/dbraw/zinc/33/55/13/1021335513.db2.gz ZLTDPAMIBDZFOO-UHFFFAOYSA-N -1 1 316.719 3.985 20 0 DHADMM C[C@H](COc1ccccc1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000917775018 1021360134 /nfs/dbraw/zinc/36/01/34/1021360134.db2.gz DGXVJQIGPCXRFC-CQSZACIVSA-N -1 1 321.376 3.743 20 0 DHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCC[C@@H]1C1CCC1 ZINC000670416463 1021383307 /nfs/dbraw/zinc/38/33/07/1021383307.db2.gz POEBQBZIPQAKAY-CYBMUJFWSA-N -1 1 313.319 3.816 20 0 DHADMM CC(C)(NC(=O)c1ccc([O-])cc1F)c1cccc(Cl)c1 ZINC000181988432 1021536223 /nfs/dbraw/zinc/53/62/23/1021536223.db2.gz SVDHSTDDOCPXCW-UHFFFAOYSA-N -1 1 307.752 3.850 20 0 DHADMM Cc1cccc(CCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000613667580 1021668538 /nfs/dbraw/zinc/66/85/38/1021668538.db2.gz ZLYFISZSLSQCHI-UHFFFAOYSA-N -1 1 321.380 3.662 20 0 DHADMM CCCc1cc(=O)n(-c2ccc(OC)cc2C(F)(F)F)[n-]1 ZINC000634629859 1021695529 /nfs/dbraw/zinc/69/55/29/1021695529.db2.gz FVWAAKQFSOJSJK-UHFFFAOYSA-N -1 1 300.280 3.607 20 0 DHADMM CCCCCCC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000919228736 1021743132 /nfs/dbraw/zinc/74/31/32/1021743132.db2.gz MVXXQJWFZWKNAH-UHFFFAOYSA-N -1 1 304.342 3.512 20 0 DHADMM Cc1nc(-c2ccc(NC(=O)c3ccc(O)cc3[O-])cc2)oc1C ZINC000619600061 1021804980 /nfs/dbraw/zinc/80/49/80/1021804980.db2.gz ULIXJFHLILSBIU-UHFFFAOYSA-N -1 1 324.336 3.622 20 0 DHADMM O=C(Nc1ccncc1[O-])c1sc2ccccc2c1Cl ZINC000109890278 1021823566 /nfs/dbraw/zinc/82/35/66/1021823566.db2.gz PVDYACSPONQQND-UHFFFAOYSA-N -1 1 304.758 3.908 20 0 DHADMM Cc1nsc(C)c1CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000655489364 1021901437 /nfs/dbraw/zinc/90/14/37/1021901437.db2.gz PDFVSPSUCWXCPB-UHFFFAOYSA-N -1 1 321.349 3.567 20 0 DHADMM CCC(CC)c1nnc([N-]C(=O)c2coc(C3CCC3)n2)s1 ZINC000193825010 1022027799 /nfs/dbraw/zinc/02/77/99/1022027799.db2.gz RAEBZLDNODBLPA-UHFFFAOYSA-N -1 1 320.418 3.950 20 0 DHADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000263488798 1022063750 /nfs/dbraw/zinc/06/37/50/1022063750.db2.gz IBNUSXUCAACBFE-KOLCDFICSA-N -1 1 319.298 3.530 20 0 DHADMM O=c1cc(CN2C[C@@H]3CCCC[C@@H]32)c2cc(Cl)c([O-])cc2o1 ZINC000852219961 1022088832 /nfs/dbraw/zinc/08/88/32/1022088832.db2.gz TYGRGAVTUMIVLZ-HZMBPMFUSA-N -1 1 319.788 3.526 20 0 DHADMM CCOc1cc(C(=O)NC2(CC(C)C)CC2)cc(Cl)c1[O-] ZINC000620281408 1022112361 /nfs/dbraw/zinc/11/23/61/1022112361.db2.gz SLUVUIIAGNQXOI-UHFFFAOYSA-N -1 1 311.809 3.753 20 0 DHADMM COc1ccc([C@@H](C)NC(=O)c2c([O-])cccc2Cl)cc1 ZINC000920445145 1022121282 /nfs/dbraw/zinc/12/12/82/1022121282.db2.gz OOCPYVGFGXASKU-SNVBAGLBSA-N -1 1 305.761 3.545 20 0 DHADMM Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1c([O-])cccc1Cl ZINC000920463147 1022123691 /nfs/dbraw/zinc/12/36/91/1022123691.db2.gz PSDKXXWCNYUGPB-AWEZNQCLSA-N -1 1 301.773 3.771 20 0 DHADMM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)c2c([O-])cccc2Cl)o1 ZINC000920455974 1022123767 /nfs/dbraw/zinc/12/37/67/1022123767.db2.gz JWTPUUUAGNLUQX-KOLCDFICSA-N -1 1 305.761 3.692 20 0 DHADMM CCC[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001168921834 1022183722 /nfs/dbraw/zinc/18/37/22/1022183722.db2.gz GEROPRNHYCOGND-CJNGLKHVSA-N -1 1 313.401 3.733 20 0 DHADMM Nc1c(Cl)cc(NC(=O)c2ccc([O-])cc2F)cc1Cl ZINC000181058946 1022185990 /nfs/dbraw/zinc/18/59/90/1022185990.db2.gz QHIFMTZAOXYOPY-UHFFFAOYSA-N -1 1 315.131 3.673 20 0 DHADMM CCN(Cc1cccs1)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876393026 1033034983 /nfs/dbraw/zinc/03/49/83/1033034983.db2.gz HOPIKPYAKQDJGP-UHFFFAOYSA-N -1 1 324.833 3.839 20 0 DHADMM COc1cc(C(=O)NCCCC2CCCC2)cc(Cl)c1[O-] ZINC000153541569 1022221552 /nfs/dbraw/zinc/22/15/52/1022221552.db2.gz LXTMUPUAGRNZFX-UHFFFAOYSA-N -1 1 311.809 3.754 20 0 DHADMM CN(C[C@H]1CCc2ccccc21)C(=O)c1ccc(Cl)cc1[O-] ZINC000620682004 1022232199 /nfs/dbraw/zinc/23/21/99/1022232199.db2.gz DUCPBPIDOYFMSH-CYBMUJFWSA-N -1 1 315.800 3.848 20 0 DHADMM COc1cc(C(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)cc(Cl)c1[O-] ZINC000153839634 1022257363 /nfs/dbraw/zinc/25/73/63/1022257363.db2.gz AXXWRNOHHXTAFQ-GYSYKLTISA-N -1 1 323.820 3.847 20 0 DHADMM O=C(N[C@@H]1CCc2c1cccc2Cl)c1ccc([O-])cc1F ZINC000154632709 1022318985 /nfs/dbraw/zinc/31/89/85/1022318985.db2.gz MEGZDIICLMNSML-OAHLLOKOSA-N -1 1 305.736 3.602 20 0 DHADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)C(C)(C)c1ccccc1 ZINC000154860109 1022338851 /nfs/dbraw/zinc/33/88/51/1022338851.db2.gz RDBIUHKDOYMLPD-GFCCVEGCSA-N -1 1 301.361 3.627 20 0 DHADMM O=C(N[C@H]1CCc2ccc(Cl)cc21)c1cccc([O-])c1F ZINC001169300850 1022353260 /nfs/dbraw/zinc/35/32/60/1022353260.db2.gz QPUSUMRHXYNBBQ-ZDUSSCGKSA-N -1 1 305.736 3.602 20 0 DHADMM CC1(C)CN(C(=O)c2ncc3ccccc3c2[O-])[C@H]2CCC[C@@H]21 ZINC000615389589 1022464378 /nfs/dbraw/zinc/46/43/78/1022464378.db2.gz JKNZZWUFFYCNND-GJZGRUSLSA-N -1 1 310.397 3.591 20 0 DHADMM O=C(CCc1ccc(Cl)c(Cl)c1)[N-]OCC(F)(F)F ZINC000766774419 1022487870 /nfs/dbraw/zinc/48/78/70/1022487870.db2.gz GHPXSUKFRIIUFQ-UHFFFAOYSA-N -1 1 316.106 3.536 20 0 DHADMM Cc1[n-][nH]c(=O)c1NC(=O)CCCc1ccc(C(C)(C)C)cc1 ZINC000854635773 1022505332 /nfs/dbraw/zinc/50/53/32/1022505332.db2.gz XQHVWFUQNPRHAU-UHFFFAOYSA-N -1 1 315.417 3.683 20 0 DHADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(Cl)cc1Cl ZINC000263457101 1022564391 /nfs/dbraw/zinc/56/43/91/1022564391.db2.gz AZBOTFYROHNOLX-KOLCDFICSA-N -1 1 302.201 3.679 20 0 DHADMM CSc1ccccc1[C@@H](C)NC(=O)c1c(F)ccc([O-])c1F ZINC000584682313 1022612100 /nfs/dbraw/zinc/61/21/00/1022612100.db2.gz OVPVPEXUROFILR-SECBINFHSA-N -1 1 323.364 3.883 20 0 DHADMM O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc([O-])c(F)c1 ZINC000767246807 1022674884 /nfs/dbraw/zinc/67/48/84/1022674884.db2.gz PAUQKHPAWJGGDH-UHFFFAOYSA-N -1 1 314.360 3.774 20 0 DHADMM O=C(c1ncc2ccccc2c1[O-])N1CC[C@@H](C2CCCC2)C1 ZINC000616375493 1022701330 /nfs/dbraw/zinc/70/13/30/1022701330.db2.gz NROFXYVUPABNRN-OAHLLOKOSA-N -1 1 310.397 3.593 20 0 DHADMM CCC1(CC)CCCN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC000855821553 1022701466 /nfs/dbraw/zinc/70/14/66/1022701466.db2.gz GTEFOCUOJWTIOQ-UHFFFAOYSA-N -1 1 319.449 3.656 20 0 DHADMM CC(C)[C@@H]1N(C(=O)c2ncc3ccccc3c2[O-])CC12CC=CC2 ZINC000616493484 1022737255 /nfs/dbraw/zinc/73/72/55/1022737255.db2.gz MXAYHXUWRLSETG-SFHVURJKSA-N -1 1 322.408 3.757 20 0 DHADMM Cc1nc(SCc2cc(Cl)nc(Cl)c2)[n-]c(=O)c1C ZINC000776869920 1022738793 /nfs/dbraw/zinc/73/87/93/1022738793.db2.gz MAMFPYUEUOJXSS-UHFFFAOYSA-N -1 1 316.213 3.793 20 0 DHADMM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000388262713 1022749244 /nfs/dbraw/zinc/74/92/44/1022749244.db2.gz XBKZDEHNKMZJBG-UHFFFAOYSA-N -1 1 318.373 3.622 20 0 DHADMM Cc1cccc(OC(F)F)c1NC(=O)c1ccc([O-])c(F)c1 ZINC000767934920 1022847697 /nfs/dbraw/zinc/84/76/97/1022847697.db2.gz JNMIRHAEJRSWJT-UHFFFAOYSA-N -1 1 311.259 3.693 20 0 DHADMM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000617178984 1022869223 /nfs/dbraw/zinc/86/92/23/1022869223.db2.gz WCZKRHKLPAUDJG-KRWDZBQOSA-N -1 1 323.392 3.555 20 0 DHADMM CSc1c(F)cccc1[N-]C(=O)c1coc2c1C(=O)CCC2 ZINC000617275126 1022904678 /nfs/dbraw/zinc/90/46/78/1022904678.db2.gz UZVZUTORYWBVSV-UHFFFAOYSA-N -1 1 319.357 3.912 20 0 DHADMM Cc1ccc(C(=O)CCC(=O)Nc2ccc(F)cc2[O-])cc1C ZINC000768259902 1022936572 /nfs/dbraw/zinc/93/65/72/1022936572.db2.gz XMQUYUHQSRTHQZ-UHFFFAOYSA-N -1 1 315.344 3.750 20 0 DHADMM O=C(N[C@H]1CCCc2sccc21)c1c([O-])cccc1Cl ZINC000768590559 1022998001 /nfs/dbraw/zinc/99/80/01/1022998001.db2.gz JHHRQLQJYIVTPY-NSHDSACASA-N -1 1 307.802 3.915 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CC(C)(C)CC(C)(C)C1 ZINC000768644610 1023004755 /nfs/dbraw/zinc/00/47/55/1023004755.db2.gz FABSWMQSTMDMBF-UHFFFAOYSA-N -1 1 319.449 3.512 20 0 DHADMM CN(CCC(C)(C)C)C(=O)c1ccc(Br)c([O-])c1 ZINC000399751080 1023006902 /nfs/dbraw/zinc/00/69/02/1023006902.db2.gz AESGOPFYDXIYDW-UHFFFAOYSA-N -1 1 314.223 3.663 20 0 DHADMM CC[C@H](C)[C@@H](NC(=O)c1c([O-])cccc1Cl)C(F)(F)F ZINC000769081621 1023084294 /nfs/dbraw/zinc/08/42/94/1023084294.db2.gz GEBOLVGAKWPDAM-WRWORJQWSA-N -1 1 309.715 3.752 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000617919429 1023096130 /nfs/dbraw/zinc/09/61/30/1023096130.db2.gz LHKLFTITFNUDTP-INIZCTEOSA-N -1 1 315.344 3.882 20 0 DHADMM Cc1cc2cn[nH]c2c(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c1 ZINC000769247807 1023107510 /nfs/dbraw/zinc/10/75/10/1023107510.db2.gz NNZSNOUAJWQCGX-UHFFFAOYSA-N -1 1 324.365 3.554 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCCCCCC(C)C ZINC000081546873 1023110955 /nfs/dbraw/zinc/11/09/55/1023110955.db2.gz FMXPJUOMXZFWMW-UHFFFAOYSA-N -1 1 321.465 3.538 20 0 DHADMM Cc1ccc(C[C@@H](C)NC(=O)c2c([O-])cccc2F)c(C)c1 ZINC000622362019 1023128128 /nfs/dbraw/zinc/12/81/28/1023128128.db2.gz FRIFYHWFHIKEQS-CYBMUJFWSA-N -1 1 301.361 3.509 20 0 DHADMM O=C([N-]CCCCCCOc1ccc(Cl)cc1)C(F)(F)F ZINC000769642373 1023186308 /nfs/dbraw/zinc/18/63/08/1023186308.db2.gz PQHADOLYYJTULJ-UHFFFAOYSA-N -1 1 323.742 3.958 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N(Cc1cccs1)C1CC1 ZINC000769666333 1023192487 /nfs/dbraw/zinc/19/24/87/1023192487.db2.gz FTXUJLCYVMATIK-UHFFFAOYSA-N -1 1 307.802 3.912 20 0 DHADMM Cc1nc(C(C)(C)NC(=O)c2c([O-])cccc2Cl)sc1C ZINC000769886276 1023241647 /nfs/dbraw/zinc/24/16/47/1023241647.db2.gz BNUHGXYXBYBPHQ-UHFFFAOYSA-N -1 1 324.833 3.784 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1F ZINC000007405758 1023422309 /nfs/dbraw/zinc/42/23/09/1023422309.db2.gz UIBAOHIMOOWHGM-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM O=S(=O)([N-]c1cccc(F)c1F)c1ccc(F)cc1Cl ZINC000049375410 1023769270 /nfs/dbraw/zinc/76/92/70/1023769270.db2.gz MAPLFTPVXCJJMS-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)c(Cl)c1 ZINC000049375406 1023769884 /nfs/dbraw/zinc/76/98/84/1023769884.db2.gz QMTJDFAEMMDESH-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1F ZINC000048653092 1023802600 /nfs/dbraw/zinc/80/26/00/1023802600.db2.gz YIALNJGXLLRLBK-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM O=C([O-])CCCCC[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000652372893 1023823026 /nfs/dbraw/zinc/82/30/26/1023823026.db2.gz ZEMWTXXBPGAKPI-UHFFFAOYSA-N -1 1 307.415 3.988 20 0 DHADMM CCCN(Cc1c(F)cccc1Cl)CC1(CC(=O)[O-])CC1 ZINC000652393857 1023840694 /nfs/dbraw/zinc/84/06/94/1023840694.db2.gz VTBLLEIKKZPAAN-UHFFFAOYSA-N -1 1 313.800 3.946 20 0 DHADMM CCn1c2ccc(C(=O)[O-])cc2nc1CN(C)CCC(C)(C)C ZINC000652416741 1023854756 /nfs/dbraw/zinc/85/47/56/1023854756.db2.gz ARZNDQAKKAUDGD-UHFFFAOYSA-N -1 1 317.433 3.622 20 0 DHADMM C[C@H]1CN(Cc2c(Cl)cccc2Cl)CC[C@@H]1C(=O)[O-] ZINC000302477231 1023939332 /nfs/dbraw/zinc/93/93/32/1023939332.db2.gz GXYCCUBXOWNDLE-UWVGGRQHSA-N -1 1 302.201 3.536 20 0 DHADMM CCCCOc1ccc(C(=O)Nc2ccc(O)cc2F)c([O-])c1 ZINC000789844618 1024172753 /nfs/dbraw/zinc/17/27/53/1024172753.db2.gz BDLBOVUWZDMTJF-UHFFFAOYSA-N -1 1 319.332 3.668 20 0 DHADMM C[C@@H](C(=O)Nc1nc(Cl)ccc1[O-])c1cccc(Cl)c1 ZINC000790056429 1024215179 /nfs/dbraw/zinc/21/51/79/1024215179.db2.gz LAUINGDMEBQZMR-MRVPVSSYSA-N -1 1 311.168 3.836 20 0 DHADMM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2sccc2Cl)[C@@H]1C ZINC001211697133 1024549182 /nfs/dbraw/zinc/54/91/82/1024549182.db2.gz KYDXSAHQWAOSNT-MXWKQRLJSA-N -1 1 321.895 3.752 20 0 DHADMM Cc1cccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1C ZINC000339117994 1024570371 /nfs/dbraw/zinc/57/03/71/1024570371.db2.gz CKGCLOXWSMYVIP-UHFFFAOYSA-N -1 1 307.353 3.651 20 0 DHADMM Cc1ccc(CCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000339130896 1024570701 /nfs/dbraw/zinc/57/07/01/1024570701.db2.gz ARRMTOJYAGSVNW-UHFFFAOYSA-N -1 1 321.380 3.662 20 0 DHADMM CCOc1cc(C(=O)NC[C@@H]2CCC[C@H]2C)cc(Cl)c1[O-] ZINC000467777740 1024614962 /nfs/dbraw/zinc/61/49/62/1024614962.db2.gz NDNIGSYONPBQBG-MNOVXSKESA-N -1 1 311.809 3.610 20 0 DHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCC[C@H](CCF)C1 ZINC000618698888 1024643372 /nfs/dbraw/zinc/64/33/72/1024643372.db2.gz YGCZIBQNEGJHNP-SNVBAGLBSA-N -1 1 319.298 3.623 20 0 DHADMM C[C@@]1(C(=O)[O-])CCCN(Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000317825227 1024646404 /nfs/dbraw/zinc/64/64/04/1024646404.db2.gz CRUOMRQWDYUDNN-CQSZACIVSA-N -1 1 319.298 3.531 20 0 DHADMM Cc1nc2c(cccc2C(=O)Nc2ccc([O-])c(Cl)c2)o1 ZINC000792258663 1024657128 /nfs/dbraw/zinc/65/71/28/1024657128.db2.gz HKJUHWSISSKDNO-UHFFFAOYSA-N -1 1 302.717 3.748 20 0 DHADMM O=C(OCc1ccc(Cl)nc1Cl)c1ccc([O-])cc1F ZINC000800193805 1024734048 /nfs/dbraw/zinc/73/40/48/1024734048.db2.gz WUXDOEROCWDNKZ-UHFFFAOYSA-N -1 1 316.115 3.590 20 0 DHADMM CCN(C(=O)c1ccc(Cl)cc1[O-])[C@H](C)c1cccnc1 ZINC000115230227 1024834548 /nfs/dbraw/zinc/83/45/48/1024834548.db2.gz DWDPTAODKJFNSK-LLVKDONJSA-N -1 1 304.777 3.664 20 0 DHADMM CCN(C(=O)c1ccc(Cl)cc1[O-])[C@@H](C)c1cccnc1 ZINC000115230225 1024834822 /nfs/dbraw/zinc/83/48/22/1024834822.db2.gz DWDPTAODKJFNSK-NSHDSACASA-N -1 1 304.777 3.664 20 0 DHADMM COc1ncc(-c2cc(F)cc(F)c2[O-])cc1C(F)(F)F ZINC001243503865 1024887091 /nfs/dbraw/zinc/88/70/91/1024887091.db2.gz VWLAJWSBWDYREI-UHFFFAOYSA-N -1 1 305.202 3.760 20 0 DHADMM CSCc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000348336663 1025250184 /nfs/dbraw/zinc/25/01/84/1025250184.db2.gz APUQCQWAKGARGG-UHFFFAOYSA-N -1 1 309.337 3.786 20 0 DHADMM CS(=O)(=O)c1ccc([O-])c(Nc2ccc3sccc3c2)c1 ZINC001213933008 1025291569 /nfs/dbraw/zinc/29/15/69/1025291569.db2.gz LBDHGFVQMCEUSW-UHFFFAOYSA-N -1 1 319.407 3.754 20 0 DHADMM C[C@@H]1CCC[C@@H](OCC(=O)Nc2cc(F)c([O-])cc2Cl)C1 ZINC000885676518 1025377712 /nfs/dbraw/zinc/37/77/12/1025377712.db2.gz PSTUKFNXJIDWHZ-NXEZZACHSA-N -1 1 315.772 3.719 20 0 DHADMM CC1(C)CO[C@H](CCC(=O)Nc2cc(F)c([O-])cc2Cl)C1 ZINC000885679990 1025382130 /nfs/dbraw/zinc/38/21/30/1025382130.db2.gz JOQYZGVKRIMWJD-SECBINFHSA-N -1 1 315.772 3.719 20 0 DHADMM CC1(C)CC[C@@H](CC(=O)Nc2cc(F)c([O-])cc2Cl)OC1 ZINC000885680062 1025382224 /nfs/dbraw/zinc/38/22/24/1025382224.db2.gz KPUZONSHUIIGAC-VIFPVBQESA-N -1 1 315.772 3.719 20 0 DHADMM CCCCCC[C@H](C)CC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129757546 1025409879 /nfs/dbraw/zinc/40/98/79/1025409879.db2.gz HBKMRFXKLJRIJT-ZDUSSCGKSA-N -1 1 319.449 3.996 20 0 DHADMM CSCc1ccc(CNC(=O)c2c([O-])cccc2Cl)cc1 ZINC000804702884 1025452113 /nfs/dbraw/zinc/45/21/13/1025452113.db2.gz OEYMNKXUXRRZML-UHFFFAOYSA-N -1 1 321.829 3.839 20 0 DHADMM CCn1c(C)cc(C([O-])=C[S@@](=O)Cc2cccc(C)c2)c1C ZINC000354908511 1025543267 /nfs/dbraw/zinc/54/32/67/1025543267.db2.gz JLLMPHIJDRLSKO-QFIPXVFZSA-N -1 1 317.454 3.565 20 0 DHADMM CC(C)c1ccc(C(=O)NCc2n[n-]c(=S)n2C(C)C)cc1 ZINC000066650008 1025625918 /nfs/dbraw/zinc/62/59/18/1025625918.db2.gz INUCBGBHVLHYJF-UHFFFAOYSA-N -1 1 318.446 3.575 20 0 DHADMM CCCc1c(C)[n-]n(-c2ccc(F)cc2Br)c1=O ZINC000614186232 1025833387 /nfs/dbraw/zinc/83/33/87/1025833387.db2.gz YWDIBNPWZSWCKM-JTQLQIEISA-N -1 1 313.170 3.727 20 0 DHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1(C2CCC2)CCC1 ZINC000411398229 1025981949 /nfs/dbraw/zinc/98/19/49/1025981949.db2.gz JAMBBBAZHXFWNV-UHFFFAOYSA-N -1 1 311.385 3.691 20 0 DHADMM C[C@@H]1CN(Cc2ccc(C(=O)[O-])c(Cl)c2)C[C@H](C)C1(F)F ZINC000629363139 1026034184 /nfs/dbraw/zinc/03/41/84/1026034184.db2.gz BMRRAJZOXDHACA-AOOOYVTPSA-N -1 1 317.763 3.761 20 0 DHADMM CCC[C@@H](C)c1noc(-c2[n-]cnc2C(=O)c2ccccc2)n1 ZINC000809358333 1026510809 /nfs/dbraw/zinc/51/08/09/1026510809.db2.gz BZJPHRFMOKNQEQ-LLVKDONJSA-N -1 1 310.357 3.594 20 0 DHADMM COc1cc(OC)c(-c2c(Cl)ccc([O-])c2F)c(OC)c1 ZINC001244542060 1026770926 /nfs/dbraw/zinc/77/09/26/1026770926.db2.gz HRFHKOYECXNYLZ-UHFFFAOYSA-N -1 1 312.724 3.878 20 0 DHADMM Cc1cc(C)c([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c(C)n1 ZINC000414452642 1026808729 /nfs/dbraw/zinc/80/87/29/1026808729.db2.gz BDJPWADXRKYEGD-UHFFFAOYSA-N -1 1 322.405 3.564 20 0 DHADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2C)c(C)n1 ZINC000414463913 1026848493 /nfs/dbraw/zinc/84/84/93/1026848493.db2.gz XCEKBLIRMBEFCC-UHFFFAOYSA-N -1 1 324.833 3.769 20 0 DHADMM O=S(=O)(CCC1CCCC1)[N-]c1nccc2sccc21 ZINC000572213540 1027182190 /nfs/dbraw/zinc/18/21/90/1027182190.db2.gz FXJZCVWWZSTXIS-UHFFFAOYSA-N -1 1 310.444 3.618 20 0 DHADMM CSc1ccc([O-])c(C(=O)Nc2cc(C)cc(C)c2O)c1 ZINC001170663382 1027191425 /nfs/dbraw/zinc/19/14/25/1027191425.db2.gz ZUDPETAMIBZXFG-UHFFFAOYSA-N -1 1 303.383 3.689 20 0 DHADMM C/C=C/c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000572795366 1027228902 /nfs/dbraw/zinc/22/89/02/1027228902.db2.gz ZPTALGDZRZTCBK-NSCUHMNNSA-N -1 1 309.337 3.799 20 0 DHADMM C[C@@H](C(=O)[N-]OC/C=C\Cl)c1ccc(C(F)(F)F)cc1 ZINC000812408931 1027285419 /nfs/dbraw/zinc/28/54/19/1027285419.db2.gz UTZZVXQSWNQODV-RMGQIXRRSA-N -1 1 307.699 3.609 20 0 DHADMM Cc1cc(C([O-])=C[S@@](=O)C(C)(C)c2ccccc2)c(C)n1C ZINC000562580243 1027511499 /nfs/dbraw/zinc/51/14/99/1027511499.db2.gz NXPKOUXEMAMDLU-JOCHJYFZSA-N -1 1 317.454 3.509 20 0 DHADMM CCc1nc(S[C@@H](C)C(=O)c2cccc(F)c2)[n-]c(=O)c1C ZINC000577627939 1027851756 /nfs/dbraw/zinc/85/17/56/1027851756.db2.gz MJGUASFPRLLGTA-JTQLQIEISA-N -1 1 320.389 3.556 20 0 DHADMM C[C@]12CCN(Cc3c(Cl)cccc3C(=O)[O-])C[C@H]1C2(F)F ZINC000577769265 1027923507 /nfs/dbraw/zinc/92/35/07/1027923507.db2.gz FTXJILZAEDPOHE-OCCSQVGLSA-N -1 1 315.747 3.515 20 0 DHADMM CC[C@H](Sc1nc(C)c(C2CC2)c(=O)[n-]1)C(=O)OC(C)(C)C ZINC000601087887 1027981529 /nfs/dbraw/zinc/98/15/29/1027981529.db2.gz KFQHIPJINVUVND-NSHDSACASA-N -1 1 324.446 3.580 20 0 DHADMM C[C@@H](O[N-]C(=O)C[C@H]1OCCc2ccsc21)c1ccccc1 ZINC000365633519 1027987160 /nfs/dbraw/zinc/98/71/60/1027987160.db2.gz IDFUQGGEXBMWSZ-IUODEOHRSA-N -1 1 317.410 3.561 20 0 DHADMM Cc1ccc(-c2cccnc2)cc1NC(=O)c1ccc(O)cc1[O-] ZINC000366540181 1028094231 /nfs/dbraw/zinc/09/42/31/1028094231.db2.gz OAZCQIVSBSSKEB-UHFFFAOYSA-N -1 1 320.348 3.721 20 0 DHADMM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000528166381 1028148840 /nfs/dbraw/zinc/14/88/40/1028148840.db2.gz DTOCQPVBYXCBMA-YDEXJTGXSA-N -1 1 308.765 3.623 20 0 DHADMM CC1(C)C[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)C(C)(C)O1 ZINC000528167934 1028149164 /nfs/dbraw/zinc/14/91/64/1028149164.db2.gz FRNLVQDJIBPPDP-JTQLQIEISA-N -1 1 306.337 3.642 20 0 DHADMM Cn1cc(Cc2nc(-c3ccc([O-])cc3F)no2)c2ccccc21 ZINC000578958151 1028285545 /nfs/dbraw/zinc/28/55/45/1028285545.db2.gz RMMHAWHABKTCQA-UHFFFAOYSA-N -1 1 323.327 3.664 20 0 DHADMM CO[C@@H]1Cc2ccc(NCc3cccc([O-])c3Cl)cc2C1 ZINC000815135017 1028393555 /nfs/dbraw/zinc/39/35/55/1028393555.db2.gz NSYPAVYQOCFDNI-OAHLLOKOSA-N -1 1 303.789 3.771 20 0 DHADMM COC(=O)Nc1ccc(NCc2cccc([O-])c2Cl)cc1F ZINC000815134515 1028393734 /nfs/dbraw/zinc/39/37/34/1028393734.db2.gz BHLJTSUFWHMDTR-UHFFFAOYSA-N -1 1 324.739 3.975 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cc(Cl)ccc1Cl ZINC000188365251 1028509240 /nfs/dbraw/zinc/50/92/40/1028509240.db2.gz ZJNDAFWQHZLIGS-UHFFFAOYSA-N -1 1 317.559 4.000 20 0 DHADMM O=C([N-]OCc1ccc(F)cc1)C1(Cc2ccccc2F)CC1 ZINC000188584028 1028517220 /nfs/dbraw/zinc/51/72/20/1028517220.db2.gz SBATVOFQAZCVLV-UHFFFAOYSA-N -1 1 317.335 3.536 20 0 DHADMM CC(C)c1cc([N-]C(=O)c2ncsc2C(F)(F)F)no1 ZINC001135364945 1028734026 /nfs/dbraw/zinc/73/40/26/1028734026.db2.gz RINWDFQLZMPNNR-UHFFFAOYSA-N -1 1 305.281 3.526 20 0 DHADMM O=C(Cc1ccc([O-])c(Cl)c1)Nc1ccc2c(c1)CCC2 ZINC001135566407 1028865193 /nfs/dbraw/zinc/86/51/93/1028865193.db2.gz FSUMUOJZUQTGCK-UHFFFAOYSA-N -1 1 301.773 3.716 20 0 DHADMM Cc1nc(S[C@H](C(=O)C2CC2)c2ccccc2)[n-]c(=O)c1C ZINC000567843586 1028962774 /nfs/dbraw/zinc/96/27/74/1028962774.db2.gz CBSBSABNVHXZMZ-HNNXBMFYSA-N -1 1 314.410 3.612 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CCCC23CC3)c1 ZINC000528980175 1028986660 /nfs/dbraw/zinc/98/66/60/1028986660.db2.gz RIWFFTJYWRTSHI-SNVBAGLBSA-N -1 1 324.218 3.982 20 0 DHADMM CC[C@H](C)CO[N-]C(=O)Cc1sc(C)nc1-c1cccs1 ZINC000816979917 1029049621 /nfs/dbraw/zinc/04/96/21/1029049621.db2.gz AJYRGTBLKDWLAB-JTQLQIEISA-N -1 1 324.471 3.816 20 0 DHADMM C[C@@H](c1ccc(F)cc1)N(C)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001135805541 1029062653 /nfs/dbraw/zinc/06/26/53/1029062653.db2.gz DMIBYWGZWZETGI-NSHDSACASA-N -1 1 321.779 3.947 20 0 DHADMM [O-]c1ccc(Cl)c(F)c1CNc1cccc2c1OCCO2 ZINC000190840590 1029172287 /nfs/dbraw/zinc/17/22/87/1029172287.db2.gz RXAMCJDYNSWQQD-UHFFFAOYSA-N -1 1 309.724 3.568 20 0 DHADMM COc1ccc2c(c1)[C@H](C(=O)Nc1cccc(F)c1[O-])CCC2 ZINC000628959821 1029196449 /nfs/dbraw/zinc/19/64/49/1029196449.db2.gz BPOMNONDPLCXLO-CYBMUJFWSA-N -1 1 315.344 3.599 20 0 DHADMM C[C@@H]1Cc2ccccc2N1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001135997754 1029247517 /nfs/dbraw/zinc/24/75/17/1029247517.db2.gz VSVFVNIKIJIJAD-LLVKDONJSA-N -1 1 301.773 3.566 20 0 DHADMM C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2Cl)C[C@@H](C)C1(F)F ZINC000629364882 1029310708 /nfs/dbraw/zinc/31/07/08/1029310708.db2.gz QSMTWEBWRRQWGW-NXEZZACHSA-N -1 1 317.763 3.761 20 0 DHADMM CC(C)Oc1ccccc1CN1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000629372922 1029317623 /nfs/dbraw/zinc/31/76/23/1029317623.db2.gz FMXOWNXWCWNKNJ-ULQDDVLXSA-N -1 1 317.429 3.549 20 0 DHADMM CC1=CC[C@@](C)(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CC1 ZINC000629379236 1029320704 /nfs/dbraw/zinc/32/07/04/1029320704.db2.gz CJKYGNOAAQBNQO-GOSISDBHSA-N -1 1 311.385 3.653 20 0 DHADMM O=c1c(-c2c(F)ccc([O-])c2Cl)cccn1CC(F)(F)F ZINC001245835032 1029353632 /nfs/dbraw/zinc/35/36/32/1029353632.db2.gz MKFGONGXRHFNSU-UHFFFAOYSA-N -1 1 321.657 3.576 20 0 DHADMM C[C@]1(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CCCO1 ZINC000529539104 1029376865 /nfs/dbraw/zinc/37/68/65/1029376865.db2.gz PNXJAGWHXZBFTA-MRXNPFEDSA-N -1 1 305.761 3.706 20 0 DHADMM CC(C)(C)OCC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529540339 1029380656 /nfs/dbraw/zinc/38/06/56/1029380656.db2.gz YNOVEDWJLMLGEN-UHFFFAOYSA-N -1 1 307.777 3.952 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1CCSC2(CCC2)CC1 ZINC000412451645 1029445779 /nfs/dbraw/zinc/44/57/79/1029445779.db2.gz KMYYXNAPYWSLOS-UHFFFAOYSA-N -1 1 311.834 3.547 20 0 DHADMM Cc1ccc([C@H](C)NC(=O)Cc2ccc([O-])c(Cl)c2)cc1 ZINC001136178353 1029451568 /nfs/dbraw/zinc/45/15/68/1029451568.db2.gz SXNBBETZEQMTQN-LBPRGKRZSA-N -1 1 303.789 3.774 20 0 DHADMM Cc1ccc([C@H](C)N(C)C(=O)c2cccc([O-])c2F)c(C)c1 ZINC001136186222 1029468403 /nfs/dbraw/zinc/46/84/03/1029468403.db2.gz GCSBUQUASRNTBF-ZDUSSCGKSA-N -1 1 301.361 3.981 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])c1scnc1C1CCCC1 ZINC000530005188 1029710881 /nfs/dbraw/zinc/71/08/81/1029710881.db2.gz IOOLLEGNKQUDOO-UHFFFAOYSA-N -1 1 306.362 3.898 20 0 DHADMM CC(C)N(C)c1ccc(NC(=O)c2cccc([O-])c2F)cc1F ZINC001136333730 1029716126 /nfs/dbraw/zinc/71/61/26/1029716126.db2.gz NHJYFERLSMKYOK-UHFFFAOYSA-N -1 1 320.339 3.767 20 0 DHADMM CCC[C@H](CC)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000820879006 1029784017 /nfs/dbraw/zinc/78/40/17/1029784017.db2.gz NCZLIAWVDXWANY-AWEZNQCLSA-N -1 1 317.429 3.640 20 0 DHADMM COc1cnc(C=Cc2ccc(-c3ccccc3F)o2)[n-]c1=O ZINC000821008817 1029804479 /nfs/dbraw/zinc/80/44/79/1029804479.db2.gz SQWPWDQQJUYQIF-VQHVLOKHSA-N -1 1 312.300 3.760 20 0 DHADMM COc1cnc(C=Cc2cccc(OC3CCCC3)c2)[n-]c1=O ZINC000821007360 1029805063 /nfs/dbraw/zinc/80/50/63/1029805063.db2.gz HJSWAPCPGJMKKG-MDZDMXLPSA-N -1 1 312.369 3.683 20 0 DHADMM Cc1cc(C=O)c([O-])c(C(=O)N(C)CCC2CCCCC2)c1 ZINC001136528431 1029914665 /nfs/dbraw/zinc/91/46/65/1029914665.db2.gz JJGWBDOCMFJHQQ-UHFFFAOYSA-N -1 1 303.402 3.556 20 0 DHADMM CSc1ccc([O-])c(C(=O)Nc2cccc3ocnc32)c1 ZINC001170984639 1029990387 /nfs/dbraw/zinc/99/03/87/1029990387.db2.gz OYZCNRRHIDFZKL-UHFFFAOYSA-N -1 1 300.339 3.508 20 0 DHADMM O=C(NCC1(Sc2ccccc2)CC1)c1ccc(F)c([O-])c1 ZINC001136637117 1030146473 /nfs/dbraw/zinc/14/64/73/1030146473.db2.gz APNYGGSEZAFCQU-UHFFFAOYSA-N -1 1 317.385 3.586 20 0 DHADMM O=c1cc(C(F)(F)F)nc(SCc2ccc(CF)cc2)[n-]1 ZINC000777534824 1030179876 /nfs/dbraw/zinc/17/98/76/1030179876.db2.gz IVMZRGJBWRFNJL-UHFFFAOYSA-N -1 1 318.295 3.963 20 0 DHADMM CCOc1cc(C(=O)N(CC)CCC2CC2)cc(Cl)c1[O-] ZINC000357994760 1030269542 /nfs/dbraw/zinc/26/95/42/1030269542.db2.gz XQIFUZVOBMOPHK-UHFFFAOYSA-N -1 1 311.809 3.707 20 0 DHADMM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1ncc(C)cc1[O-] ZINC001136748537 1030335531 /nfs/dbraw/zinc/33/55/31/1030335531.db2.gz QNUNOBYGQGNCBX-AWEZNQCLSA-N -1 1 318.804 3.500 20 0 DHADMM Cc1cnc(C(=O)N(C)[C@H](C)c2cc3ccccc3o2)c([O-])c1 ZINC000358712023 1030593766 /nfs/dbraw/zinc/59/37/66/1030593766.db2.gz CEPPOWFJOZLPAY-GFCCVEGCSA-N -1 1 310.353 3.675 20 0 DHADMM Cc1cccc([C@H](C)CNC(=O)c2cc(Cl)ccc2[O-])c1 ZINC001136911687 1030596819 /nfs/dbraw/zinc/59/68/19/1030596819.db2.gz CWGWCPBKMZTXER-GFCCVEGCSA-N -1 1 303.789 3.888 20 0 DHADMM Cc1cccc([C@@H](C)CNC(=O)c2cc(Cl)ccc2[O-])c1 ZINC001136911688 1030598448 /nfs/dbraw/zinc/59/84/48/1030598448.db2.gz CWGWCPBKMZTXER-LBPRGKRZSA-N -1 1 303.789 3.888 20 0 DHADMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000105591928 1030603150 /nfs/dbraw/zinc/60/31/50/1030603150.db2.gz YYWWPESQBHAAIJ-LBPRGKRZSA-N -1 1 323.389 3.642 20 0 DHADMM CN(Cc1ccc(F)cc1F)C(=O)c1c([O-])cccc1Cl ZINC000145225041 1030702412 /nfs/dbraw/zinc/70/24/12/1030702412.db2.gz ZXMNQWHXPYJXDH-UHFFFAOYSA-N -1 1 311.715 3.596 20 0 DHADMM CC[C@@H](COC(=O)Cc1ccc([O-])c(Cl)c1)CC(F)F ZINC000869734059 1030849218 /nfs/dbraw/zinc/84/92/18/1030849218.db2.gz BDZDVYZFIULANW-SECBINFHSA-N -1 1 306.736 3.813 20 0 DHADMM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc([O-])cc1F ZINC001149192350 1030895520 /nfs/dbraw/zinc/89/55/20/1030895520.db2.gz IDCWUECIOLPBHW-ZFWWWQNUSA-N -1 1 313.372 3.625 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2ccnn2[C@H](C)C2CC2)c([O-])c1 ZINC001143758612 1030958211 /nfs/dbraw/zinc/95/82/11/1030958211.db2.gz FBKKXVSCFGPALQ-GFCCVEGCSA-N -1 1 313.401 3.935 20 0 DHADMM C[C@@H](C(=O)[N-]OCCCC(F)(F)F)c1ccc(Cl)cc1 ZINC000871217303 1031164024 /nfs/dbraw/zinc/16/40/24/1031164024.db2.gz SBXYXHMRIHBYHI-SECBINFHSA-N -1 1 309.715 3.834 20 0 DHADMM CC[C@H](C(=O)[N-]OCCCC(F)(F)F)c1ccc(OC)cc1 ZINC000871213927 1031165167 /nfs/dbraw/zinc/16/51/67/1031165167.db2.gz BKVCOTANYHYCEP-ZDUSSCGKSA-N -1 1 319.323 3.579 20 0 DHADMM C[C@@]1(C(=O)[O-])CCN(c2ccnc3cc(C(F)(F)F)ccc32)C1 ZINC000263431905 1031191363 /nfs/dbraw/zinc/19/13/63/1031191363.db2.gz TXNLMKVEKXWGKF-OAHLLOKOSA-N -1 1 324.302 3.555 20 0 DHADMM CC(C)(C)OCc1ccccc1NC(=O)c1ccc(O)cc1[O-] ZINC000928392300 1031304321 /nfs/dbraw/zinc/30/43/21/1031304321.db2.gz UTNMSPXYKUBDNJ-UHFFFAOYSA-N -1 1 315.369 3.665 20 0 DHADMM CCc1[n-]n(-c2ncnc(Cl)c2C(C)C)c(=O)c1C(C)C ZINC000871957520 1031385370 /nfs/dbraw/zinc/38/53/70/1031385370.db2.gz WBZGJXKFLCRRNI-LLVKDONJSA-N -1 1 308.813 3.638 20 0 DHADMM C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])[C@@H]1c1ccccc1 ZINC000536724438 1031422402 /nfs/dbraw/zinc/42/24/02/1031422402.db2.gz CHCPISKZXSHSNA-BZNIZROVSA-N -1 1 301.773 3.879 20 0 DHADMM C[C@@]12CCN(C(=O)c3ccc4ccccc4c3[O-])C[C@@H]1C2(F)F ZINC000293736051 1031596904 /nfs/dbraw/zinc/59/69/04/1031596904.db2.gz UUTKFULRHWSDLD-WMLDXEAASA-N -1 1 317.335 3.663 20 0 DHADMM Cc1ccc([C@@H](C)C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC001144444857 1031600639 /nfs/dbraw/zinc/60/06/39/1031600639.db2.gz DFPNCMPTIIQHPH-CQSZACIVSA-N -1 1 321.380 3.629 20 0 DHADMM COc1ccc(C2CC2)c([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000872414848 1031602704 /nfs/dbraw/zinc/60/27/04/1031602704.db2.gz QYBNWYXROIXRNG-UHFFFAOYSA-N -1 1 321.373 3.513 20 0 DHADMM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)c1cccc([O-])c1F ZINC001626145388 1031632806 /nfs/dbraw/zinc/63/28/06/1031632806.db2.gz ISCCQSTYMKAFMA-MGPQQGTHSA-N -1 1 307.409 3.970 20 0 DHADMM [O-]c1cc(F)c(CN2CCC[C@H](Oc3ccccc3)C2)c(F)c1 ZINC001144555184 1031703166 /nfs/dbraw/zinc/70/31/66/1031703166.db2.gz YTIUYBYZBGTROC-HNNXBMFYSA-N -1 1 319.351 3.714 20 0 DHADMM CN(Cc1ccc(F)cc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000036768045 1031767313 /nfs/dbraw/zinc/76/73/13/1031767313.db2.gz SAHLAONODWTARS-UHFFFAOYSA-N -1 1 309.340 3.957 20 0 DHADMM [O-]c1cc(F)c(CN2CCC[C@H](Oc3ccccc3)C2)cc1F ZINC001144666152 1031802464 /nfs/dbraw/zinc/80/24/64/1031802464.db2.gz HOJSYRVXLDKADD-HNNXBMFYSA-N -1 1 319.351 3.714 20 0 DHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC[C@@H](C2CC2)C1 ZINC000897778167 1031813936 /nfs/dbraw/zinc/81/39/36/1031813936.db2.gz ACXUNPBWCAVUFN-CQSZACIVSA-N -1 1 311.381 3.513 20 0 DHADMM CCC(CC)c1nnc([N-]C(=O)c2cc(C3CC3)on2)s1 ZINC000294187326 1031858633 /nfs/dbraw/zinc/85/86/33/1031858633.db2.gz FOKPONVLTRREBU-UHFFFAOYSA-N -1 1 306.391 3.559 20 0 DHADMM CCCCOc1ccc(-c2noc(-c3ccncc3[O-])n2)cc1 ZINC001212722663 1033685473 /nfs/dbraw/zinc/68/54/73/1033685473.db2.gz UCDFGOXAWZWTJX-UHFFFAOYSA-N -1 1 311.341 3.683 20 0 DHADMM O=C(Cc1ccc([O-])c(Cl)c1)NCC[C@@H]1CCC(F)(F)C1 ZINC000889994460 1033791415 /nfs/dbraw/zinc/79/14/15/1033791415.db2.gz VIHTXNOYCHGDTK-JTQLQIEISA-N -1 1 317.763 3.530 20 0 DHADMM Cc1coc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc12 ZINC000479545942 1033803019 /nfs/dbraw/zinc/80/30/19/1033803019.db2.gz SNXKVDVKKFWWTG-UHFFFAOYSA-N -1 1 305.330 3.681 20 0 DHADMM CCCc1ccc(S(=O)(=O)[N-]c2c(F)cccc2OC)cc1 ZINC000479575220 1033823879 /nfs/dbraw/zinc/82/38/79/1033823879.db2.gz FRTRRLXRRNBIQX-UHFFFAOYSA-N -1 1 323.389 3.588 20 0 DHADMM CC[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000479721900 1033880162 /nfs/dbraw/zinc/88/01/62/1033880162.db2.gz KHAOXWLWAZQXFK-IUODEOHRSA-N -1 1 313.401 3.937 20 0 DHADMM CCc1nc(SC[C@H](OC)c2ccc(F)cc2)[n-]c(=O)c1C ZINC000629185194 1034145468 /nfs/dbraw/zinc/14/54/68/1034145468.db2.gz YIVFFPZDEWBANM-AWEZNQCLSA-N -1 1 322.405 3.672 20 0 DHADMM CC(C)(C)NC(=O)c1ccc([N-]c2nnc(C(C)(C)C)o2)cc1 ZINC001174124601 1034148712 /nfs/dbraw/zinc/14/87/12/1034148712.db2.gz VLEHEJRFTNOYFN-UHFFFAOYSA-N -1 1 316.405 3.639 20 0 DHADMM O=c1oc2cc([O-])ccc2cc1Nc1cccc(N2CCCC2)c1 ZINC001174487085 1034407810 /nfs/dbraw/zinc/40/78/10/1034407810.db2.gz GXSWRIPUPCYVMY-UHFFFAOYSA-N -1 1 322.364 3.842 20 0 DHADMM CC(C)c1nnc([N-]C(=O)c2nc(C(C)(C)C)cs2)s1 ZINC000864969312 1034486136 /nfs/dbraw/zinc/48/61/36/1034486136.db2.gz MBIAMLPDRVXQRP-UHFFFAOYSA-N -1 1 310.448 3.668 20 0 DHADMM CC(C)(CC(=O)NCc1ccc([O-])c(Cl)c1)CC(F)F ZINC000881460189 1034598873 /nfs/dbraw/zinc/59/88/73/1034598873.db2.gz QLAKBOGAIJXZQU-UHFFFAOYSA-N -1 1 305.752 3.733 20 0 DHADMM O=C(Cc1ccc([O-])c(Cl)c1)NCC[C@@H]1CCCC1(F)F ZINC000881588387 1034643813 /nfs/dbraw/zinc/64/38/13/1034643813.db2.gz BAPPYDUHJBIPMY-NSHDSACASA-N -1 1 317.763 3.530 20 0 DHADMM CCOc1cc(C(=O)N2CCC[C@@H]2C2CCC2)cc(Cl)c1[O-] ZINC000186777317 1034660087 /nfs/dbraw/zinc/66/00/87/1034660087.db2.gz HVAZRXMUNKTZFF-CQSZACIVSA-N -1 1 323.820 3.849 20 0 DHADMM CCOc1cc(C(=O)N2CCC[C@H]3CCC[C@H]32)cc(Cl)c1[O-] ZINC000186835402 1034667135 /nfs/dbraw/zinc/66/71/35/1034667135.db2.gz ORXILLPRIJFFJG-BXUZGUMPSA-N -1 1 323.820 3.849 20 0 DHADMM CC(C)OC(=O)c1cccc(Nc2ccnc(Cl)c2[O-])c1 ZINC001174915814 1034681208 /nfs/dbraw/zinc/68/12/08/1034681208.db2.gz PJXLOMNBYHNWSX-UHFFFAOYSA-N -1 1 306.749 3.749 20 0 DHADMM CCOc1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c(F)c1 ZINC001175249059 1034891140 /nfs/dbraw/zinc/89/11/40/1034891140.db2.gz NKHCVBRCDWARHG-UHFFFAOYSA-N -1 1 313.332 3.859 20 0 DHADMM [O-]c1c(Cl)nccc1Nc1c(F)c(F)c(F)c(F)c1F ZINC001175384089 1034963052 /nfs/dbraw/zinc/96/30/52/1034963052.db2.gz HJOLOMKMKIGBHO-UHFFFAOYSA-N -1 1 310.609 3.880 20 0 DHADMM O=C([O-])c1cc(Cl)ccc1CN1CCC[C@H](C(F)(F)F)C1 ZINC001142657193 1035000143 /nfs/dbraw/zinc/00/01/43/1035000143.db2.gz QCZDZFXLSCOGIK-JTQLQIEISA-N -1 1 321.726 3.813 20 0 DHADMM CC[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccncc1 ZINC000158613961 1035100815 /nfs/dbraw/zinc/10/08/15/1035100815.db2.gz GJNHITXAGRASFM-QGZVFWFLSA-N -1 1 306.365 3.822 20 0 DHADMM CC[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccncc1 ZINC000158689049 1035102176 /nfs/dbraw/zinc/10/21/76/1035102176.db2.gz HGIZOUMHKALUOG-KRWDZBQOSA-N -1 1 306.365 3.822 20 0 DHADMM Cc1nnc(-c2cccc(Nc3cc(F)c([O-])cc3F)c2)o1 ZINC001175996800 1035179659 /nfs/dbraw/zinc/17/96/59/1035179659.db2.gz CESMLQTVCKIBMQ-UHFFFAOYSA-N -1 1 303.268 3.772 20 0 DHADMM CSc1nc(Nc2c(F)ccc3ccc(C)nc32)cc(=O)[n-]1 ZINC001176113012 1035206795 /nfs/dbraw/zinc/20/67/95/1035206795.db2.gz DSYDVCZOJCTPEU-UHFFFAOYSA-N -1 1 316.361 3.643 20 0 DHADMM O=c1ccc(Nc2cc(Br)cc(Cl)c2[O-])c[nH]1 ZINC001176130991 1035211078 /nfs/dbraw/zinc/21/10/78/1035211078.db2.gz NVZLTOZEBLSDIE-UHFFFAOYSA-N -1 1 315.554 3.652 20 0 DHADMM O=C1Cc2cc(Nc3cc(Cl)c([O-])cc3Cl)ccc2N1 ZINC001176427580 1035262501 /nfs/dbraw/zinc/26/25/01/1035262501.db2.gz BQLLBDUCNSHJCD-UHFFFAOYSA-N -1 1 309.152 3.937 20 0 DHADMM Cn1nc(-c2ccccc2)cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176664007 1035308601 /nfs/dbraw/zinc/30/86/01/1035308601.db2.gz QOTXMKQADZWSFY-UHFFFAOYSA-N -1 1 319.286 3.954 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cccc(C(F)(F)F)n2)c1F ZINC001176663531 1035309499 /nfs/dbraw/zinc/30/94/99/1035309499.db2.gz IJQHQXALBDBYSO-UHFFFAOYSA-N -1 1 308.181 3.967 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cc(OC(F)(F)F)ccn2)c1F ZINC001176669665 1035310166 /nfs/dbraw/zinc/31/01/66/1035310166.db2.gz JSHVERINGLPQFK-UHFFFAOYSA-N -1 1 324.180 3.847 20 0 DHADMM COc1ccc(Nc2c(F)cc(F)c([O-])c2F)c(Cl)n1 ZINC001176664900 1035310425 /nfs/dbraw/zinc/31/04/25/1035310425.db2.gz XMHOQQZGAJEUAT-UHFFFAOYSA-N -1 1 304.655 3.610 20 0 DHADMM COc1c(F)cc(Nc2c(F)cc(F)c([O-])c2F)cc1F ZINC001176673003 1035312130 /nfs/dbraw/zinc/31/21/30/1035312130.db2.gz ORZPZWBCLMKSBZ-UHFFFAOYSA-N -1 1 305.202 3.840 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cnn(Cc3ccccc3)c2)c1F ZINC001176663135 1035318267 /nfs/dbraw/zinc/31/82/67/1035318267.db2.gz BYELNKNAEPXOLJ-UHFFFAOYSA-N -1 1 319.286 3.798 20 0 DHADMM Cc1cnc(Cl)c(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)c1 ZINC000904002647 1035337338 /nfs/dbraw/zinc/33/73/38/1035337338.db2.gz AMDFDAQSOXBTIT-HNNXBMFYSA-N -1 1 318.804 3.576 20 0 DHADMM CC(C)=CC[C@@H](NCc1ccc(-c2ccc(F)cc2)o1)C(=O)[O-] ZINC000904032692 1035347370 /nfs/dbraw/zinc/34/73/70/1035347370.db2.gz OQHRYBSLNCBZJB-MRXNPFEDSA-N -1 1 317.360 3.985 20 0 DHADMM CCOc1cccc(CN[C@H](CC(=O)[O-])c2ccccc2F)c1 ZINC000904045437 1035351879 /nfs/dbraw/zinc/35/18/79/1035351879.db2.gz JOHUDRHQRSVJHB-QGZVFWFLSA-N -1 1 317.360 3.530 20 0 DHADMM CC(C)(C)c1coc(CNC[C@H](CC(=O)[O-])C2CCCCC2)n1 ZINC000904026582 1035353396 /nfs/dbraw/zinc/35/33/96/1035353396.db2.gz IIVCJYDULZINTM-AWEZNQCLSA-N -1 1 322.449 3.733 20 0 DHADMM COCc1ccccc1S(=O)(=O)[N-]c1ccccc1C(C)C ZINC000484547011 1035360337 /nfs/dbraw/zinc/36/03/37/1035360337.db2.gz WINQCJFWZPAKLF-UHFFFAOYSA-N -1 1 319.426 3.757 20 0 DHADMM CCO[C@H](c1noc(-c2ccc(OC)cc2[O-])n1)C1CCCC1 ZINC000904143139 1035375410 /nfs/dbraw/zinc/37/54/10/1035375410.db2.gz KXNHYTVBIIMXSP-HNNXBMFYSA-N -1 1 318.373 3.719 20 0 DHADMM O=C(/C=C\c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc([O-])cc1 ZINC000148802306 1035427162 /nfs/dbraw/zinc/42/71/62/1035427162.db2.gz PPIJURZTRUFSHO-WAPJZHGLSA-N -1 1 303.701 3.850 20 0 DHADMM O=C(N[C@H]1CCC[C@H](c2ccccc2)CC1)c1ccc([O-])cn1 ZINC001179334536 1035475148 /nfs/dbraw/zinc/47/51/48/1035475148.db2.gz CXKCLHRQIZMMOX-HOTGVXAUSA-N -1 1 310.397 3.634 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)C(F)(F)c1ccccc1 ZINC001179656046 1035487402 /nfs/dbraw/zinc/48/74/02/1035487402.db2.gz MZHCDLIEDLOIMW-UHFFFAOYSA-N -1 1 315.678 3.915 20 0 DHADMM Cc1ccc(Br)cc1NC(=O)c1cccc([O-])c1F ZINC001626013434 1035554443 /nfs/dbraw/zinc/55/44/43/1035554443.db2.gz PFXABFFQCKRURN-UHFFFAOYSA-N -1 1 324.149 3.855 20 0 DHADMM Cc1ccc2cccc([N-]S(=O)(=O)c3ccccc3N)c2c1 ZINC001193932403 1035764995 /nfs/dbraw/zinc/76/49/95/1035764995.db2.gz MOZRCWHWFVRCDT-UHFFFAOYSA-N -1 1 312.394 3.531 20 0 DHADMM [O-]c1ccc(CNCc2cc(F)c(Cl)cc2F)c(F)c1F ZINC001181336680 1035883819 /nfs/dbraw/zinc/88/38/19/1035883819.db2.gz LASHTGZNUKICTQ-UHFFFAOYSA-N -1 1 319.685 3.892 20 0 DHADMM CCOc1ncc(Nc2cc(Cl)c([O-])cc2F)cc1F ZINC001250020400 1035977005 /nfs/dbraw/zinc/97/70/05/1035977005.db2.gz UGBDUEQETZFAFD-UHFFFAOYSA-N -1 1 300.692 3.861 20 0 DHADMM CSc1cccc([N-]S(=O)(=O)c2ccccc2C)c1C ZINC000540295621 1036031159 /nfs/dbraw/zinc/03/11/59/1036031159.db2.gz KYMGDLWOSMCKAN-UHFFFAOYSA-N -1 1 307.440 3.826 20 0 DHADMM O=C(N[C@H]1CCc2c1cccc2Cl)c1c(F)ccc([O-])c1F ZINC000540512261 1036088038 /nfs/dbraw/zinc/08/80/38/1036088038.db2.gz UTPXHCJOKSZINJ-LBPRGKRZSA-N -1 1 323.726 3.741 20 0 DHADMM COc1cc(CSc2nc(C)c(C)c(=O)[n-]2)ccc1SC ZINC000540713272 1036139814 /nfs/dbraw/zinc/13/98/14/1036139814.db2.gz OOUGZIMIFOCOGT-UHFFFAOYSA-N -1 1 322.455 3.822 20 0 DHADMM CCOc1cc(C(=O)Nc2ccccc2F)cc(Cl)c1[O-] ZINC000193128939 1036183647 /nfs/dbraw/zinc/18/36/47/1036183647.db2.gz OTLSPJIOARVHBV-UHFFFAOYSA-N -1 1 309.724 3.836 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1cc(C)c(Cl)cc1Cl ZINC001195484755 1036267609 /nfs/dbraw/zinc/26/76/09/1036267609.db2.gz QAFHAFKVDOZLFM-UHFFFAOYSA-N -1 1 307.202 3.745 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1cccc(-c2ccc(O)cc2)c1 ZINC001195493109 1036269287 /nfs/dbraw/zinc/26/92/87/1036269287.db2.gz VKYHUZDLHNNPEL-UHFFFAOYSA-N -1 1 316.382 3.502 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1cccc(Oc2ccccc2)c1 ZINC001195490046 1036269582 /nfs/dbraw/zinc/26/95/82/1036269582.db2.gz BORBHMNITQMIHC-UHFFFAOYSA-N -1 1 316.382 3.922 20 0 DHADMM COc1ccc(NC(=S)Nc2cccc([O-])c2Cl)cc1 ZINC001195705024 1036319211 /nfs/dbraw/zinc/31/92/11/1036319211.db2.gz RKNRPJFQSWWJGQ-UHFFFAOYSA-N -1 1 308.790 3.863 20 0 DHADMM Cc1ccc(F)cc1NC(=S)Nc1cc(F)c(F)cc1[O-] ZINC001195912804 1036386249 /nfs/dbraw/zinc/38/62/49/1036386249.db2.gz JOAYVJPRZBFODC-UHFFFAOYSA-N -1 1 312.316 3.927 20 0 DHADMM O=S(=O)([N-]C1(C2CCCCC2)CC1)c1ccc(C(F)F)o1 ZINC000908468609 1036417938 /nfs/dbraw/zinc/41/79/38/1036417938.db2.gz CBTSSPNBMMFSLC-UHFFFAOYSA-N -1 1 319.373 3.608 20 0 DHADMM C[C@@H]1CC=C(C(=O)Nc2cccc([O-])c2Br)CC1 ZINC000908707876 1036485731 /nfs/dbraw/zinc/48/57/31/1036485731.db2.gz NHSLMHGYGGKPHT-SECBINFHSA-N -1 1 310.191 3.840 20 0 DHADMM O=C(/C=C\C1CCCC1)Nc1cccc([O-])c1Br ZINC000908708657 1036486324 /nfs/dbraw/zinc/48/63/24/1036486324.db2.gz ZGLDTKNOFWFIQS-HJWRWDBZSA-N -1 1 310.191 3.840 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)C1(F)CCCCC1 ZINC000908706914 1036486766 /nfs/dbraw/zinc/48/67/66/1036486766.db2.gz BAFJMBOIPKUQCL-UHFFFAOYSA-N -1 1 316.170 3.766 20 0 DHADMM [O-]c1c(Cl)cccc1-c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000762117850 1036530174 /nfs/dbraw/zinc/53/01/74/1036530174.db2.gz UJWCICAWEWUSFI-UHFFFAOYSA-N -1 1 312.716 3.639 20 0 DHADMM C[C@H]1C[C@H]([N-]C(=O)C(F)(F)OCC(F)(F)F)c2ccccc21 ZINC001183194558 1036540971 /nfs/dbraw/zinc/54/09/71/1036540971.db2.gz JYXLIKUWJFYXCX-KWQFWETISA-N -1 1 323.261 3.523 20 0 DHADMM CN(C)c1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)c(F)c1 ZINC000151751223 1036623561 /nfs/dbraw/zinc/62/35/61/1036623561.db2.gz RKIWRJGJMWADBW-UHFFFAOYSA-N -1 1 308.740 3.503 20 0 DHADMM O=C(c1ncc2ccccc2c1[O-])N1CCC[C@]2(CC=CCC2)C1 ZINC000668773013 1036627636 /nfs/dbraw/zinc/62/76/36/1036627636.db2.gz OCVJSFJQPXOPHR-HXUWFJFHSA-N -1 1 322.408 3.903 20 0 DHADMM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909984737 1036727771 /nfs/dbraw/zinc/72/77/71/1036727771.db2.gz SIGZYJKGZGULSZ-IUCAKERBSA-N -1 1 309.337 3.783 20 0 DHADMM C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2cc([O-])c(F)cc2F)o1 ZINC000909976371 1036730156 /nfs/dbraw/zinc/73/01/56/1036730156.db2.gz YWTKFSJKKQDIMF-GXSJLCMTSA-N -1 1 321.323 3.958 20 0 DHADMM O=C(C[C@]12CCCC[C@H]1C2(F)F)Nc1cc([O-])c(F)cc1F ZINC000909988263 1036740208 /nfs/dbraw/zinc/74/02/08/1036740208.db2.gz CIVFJCIQJIFROL-TZMCWYRMSA-N -1 1 317.282 3.825 20 0 DHADMM CC(C)(C)[C@H]1CC[C@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)CC1 ZINC001184214133 1036772917 /nfs/dbraw/zinc/77/29/17/1036772917.db2.gz AGIVHWCSXMYSRC-KYZUINATSA-N -1 1 318.343 3.615 20 0 DHADMM CCOc1cc(C(=O)NC[C@@H](C)C(C)(C)C)cc(Cl)c1[O-] ZINC000762604670 1036868396 /nfs/dbraw/zinc/86/83/96/1036868396.db2.gz JHLCDGOQBYWSIX-SNVBAGLBSA-N -1 1 313.825 3.856 20 0 DHADMM CC[C@@H](C)N(CC(=O)[O-])Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000236857824 1036982679 /nfs/dbraw/zinc/98/26/79/1036982679.db2.gz RIUVKPOGCCCMGA-LLVKDONJSA-N -1 1 322.792 3.680 20 0 DHADMM CCCCOc1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC001185383139 1037119330 /nfs/dbraw/zinc/11/93/30/1037119330.db2.gz UDMCOFYGHNDAQN-UHFFFAOYSA-N -1 1 311.428 3.728 20 0 DHADMM C[C@@H](C(=O)[N-]OC1CCCC1)c1ccc(Br)cc1 ZINC000774866351 1037120340 /nfs/dbraw/zinc/12/03/40/1037120340.db2.gz UESPQCZGPLPBPD-SNVBAGLBSA-N -1 1 312.207 3.543 20 0 DHADMM CN(C)c1ccc(NC(=S)Nc2cc(F)c([O-])cc2F)cc1 ZINC001198763988 1037128604 /nfs/dbraw/zinc/12/86/04/1037128604.db2.gz CTCRLFROCCNUNZ-UHFFFAOYSA-N -1 1 323.368 3.545 20 0 DHADMM CCC(CC)[C@H](C)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000761487612 1037134137 /nfs/dbraw/zinc/13/41/37/1037134137.db2.gz DMTWBDAFUSYUJT-NSHDSACASA-N -1 1 318.369 3.614 20 0 DHADMM CCOc1ccc([N-]S(=O)(=O)c2ccc3occc3c2)cc1 ZINC001198858780 1037149157 /nfs/dbraw/zinc/14/91/57/1037149157.db2.gz JJWILYQAULKRCN-UHFFFAOYSA-N -1 1 317.366 3.632 20 0 DHADMM O=C(Nc1ccc2c(c1)CCC2)Nc1cc(F)c([O-])cc1F ZINC001185765480 1037230626 /nfs/dbraw/zinc/23/06/26/1037230626.db2.gz BGKRXEREPKHMEP-UHFFFAOYSA-N -1 1 304.296 3.803 20 0 DHADMM O=C(Nc1cc(F)c([O-])c(F)c1)Nc1c(F)cc(F)cc1F ZINC001186057590 1037308365 /nfs/dbraw/zinc/30/83/65/1037308365.db2.gz SBUMVISDOKSUGT-UHFFFAOYSA-N -1 1 318.201 3.732 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])Nc1c(F)cc(F)cc1F ZINC001186056638 1037308691 /nfs/dbraw/zinc/30/86/91/1037308691.db2.gz JDGDWLVFQCHPSR-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM Cc1ccnc(F)c1C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001199720111 1037316421 /nfs/dbraw/zinc/31/64/21/1037316421.db2.gz UXGJXHRASGEFCN-UHFFFAOYSA-N -1 1 314.238 3.506 20 0 DHADMM O=C(Nc1cncc(-c2ccccc2)c1)c1ccc([O-])c(F)c1 ZINC001186208770 1037345559 /nfs/dbraw/zinc/34/55/59/1037345559.db2.gz JQFBPFHVRDNLMH-UHFFFAOYSA-N -1 1 308.312 3.846 20 0 DHADMM Cc1c(C)c(NC(=O)c2ccc([O-])cc2F)c(C)c(C)c1N ZINC001186328476 1037359521 /nfs/dbraw/zinc/35/95/21/1037359521.db2.gz DCSLLSJZMOKSRZ-UHFFFAOYSA-N -1 1 302.349 3.599 20 0 DHADMM Cc1cc([C@H](C)NC(=O)c2ccc([O-])cc2F)ccc1Cl ZINC001186339294 1037377937 /nfs/dbraw/zinc/37/79/37/1037377937.db2.gz BNDJEQPICAMIKG-JTQLQIEISA-N -1 1 307.752 3.984 20 0 DHADMM C[C@H](C(=O)Nc1cc(Cl)c([O-])c2ccccc12)[C@H]1CCCO1 ZINC000912858133 1037629545 /nfs/dbraw/zinc/62/95/45/1037629545.db2.gz DQQAWOITGZENNR-ZUZCIYMTSA-N -1 1 319.788 3.952 20 0 DHADMM CCCC[C@H](CCC)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC001187751114 1037718417 /nfs/dbraw/zinc/71/84/17/1037718417.db2.gz FWESLYQAAFICPL-JTQLQIEISA-N -1 1 309.378 3.854 20 0 DHADMM COc1ccc(Cl)cc1NC(=O)Nc1cccc(F)c1[O-] ZINC001187925898 1037755352 /nfs/dbraw/zinc/75/53/52/1037755352.db2.gz SKERAYIYYLCAIV-UHFFFAOYSA-N -1 1 310.712 3.837 20 0 DHADMM Cc1noc(C2CC2)c1[N-]C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000154125737 1037849561 /nfs/dbraw/zinc/84/95/61/1037849561.db2.gz OXVFVFCHCYHMIV-UHFFFAOYSA-N -1 1 321.720 3.674 20 0 DHADMM O=C(Nc1cc2ccccc2s1)c1ncc(C(F)(F)F)[n-]1 ZINC001188278219 1037862273 /nfs/dbraw/zinc/86/22/73/1037862273.db2.gz NXTUUQIVNPFTRI-UHFFFAOYSA-N -1 1 311.288 3.896 20 0 DHADMM O=C(Nc1cc2ccccc2s1)c1nc(C(F)(F)F)c[n-]1 ZINC001188278219 1037862288 /nfs/dbraw/zinc/86/22/88/1037862288.db2.gz NXTUUQIVNPFTRI-UHFFFAOYSA-N -1 1 311.288 3.896 20 0 DHADMM CN(C)c1ccc(NC(=O)c2ccccc2[O-])c(C(F)(F)F)c1 ZINC000123849502 1037867474 /nfs/dbraw/zinc/86/74/74/1037867474.db2.gz WEIZYAJEGKPGKW-UHFFFAOYSA-N -1 1 324.302 3.729 20 0 DHADMM O=C(CNC(=O)Nc1ccc2ccccc2c1)c1ccc([O-])cc1 ZINC001188631790 1037952567 /nfs/dbraw/zinc/95/25/67/1037952567.db2.gz JDAXHHFYUZRZCO-UHFFFAOYSA-N -1 1 320.348 3.550 20 0 DHADMM O=C(Nc1c(F)cccc1F)Nc1c(F)cc([O-])cc1F ZINC001202044283 1037987539 /nfs/dbraw/zinc/98/75/39/1037987539.db2.gz RENJQSQODBFLFB-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM Cc1cccc(Oc2ccccc2)c1[N-]S(=O)(=O)CC1CC1 ZINC001188962240 1038027028 /nfs/dbraw/zinc/02/70/28/1038027028.db2.gz NMHNRNRZRNFIMS-UHFFFAOYSA-N -1 1 317.410 3.939 20 0 DHADMM CCc1nc(SCCCCCn2cc(C)cn2)[n-]c(=O)c1C ZINC000571179492 1038087432 /nfs/dbraw/zinc/08/74/32/1038087432.db2.gz QPZMANFSWGIMHO-UHFFFAOYSA-N -1 1 320.462 3.521 20 0 DHADMM CCCCOc1ccc(NC(=O)Nc2ncccc2[O-])cc1 ZINC001189288181 1038110033 /nfs/dbraw/zinc/11/00/33/1038110033.db2.gz ISLRHADGPFZSLO-UHFFFAOYSA-N -1 1 301.346 3.610 20 0 DHADMM O=S(=O)(Cc1ccc(F)c(F)c1)[N-]c1ccc(Cl)s1 ZINC001189277684 1038118684 /nfs/dbraw/zinc/11/86/84/1038118684.db2.gz OZTVHDVUDPZFLZ-UHFFFAOYSA-N -1 1 323.773 3.622 20 0 DHADMM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cccc(F)c1[O-] ZINC001151771215 1038169821 /nfs/dbraw/zinc/16/98/21/1038169821.db2.gz FAZDQVAWFXZPSK-DVOMOZLQSA-N -1 1 323.408 3.947 20 0 DHADMM O=S(=O)([N-]c1ccc(C2CC2)nc1)c1ccc(C2CC2)cc1 ZINC001190472050 1038327961 /nfs/dbraw/zinc/32/79/61/1038327961.db2.gz MFBHFVGZVQWOBA-UHFFFAOYSA-N -1 1 314.410 3.637 20 0 DHADMM O=S(=O)([N-]c1ccc2oncc2c1)c1ccc(C2CC2)cc1 ZINC001190500522 1038329630 /nfs/dbraw/zinc/32/96/30/1038329630.db2.gz UEAHUSBNAJWOMS-UHFFFAOYSA-N -1 1 314.366 3.506 20 0 DHADMM COc1cccc(S(=O)(=O)[N-]c2ccccc2C(C)C)c1 ZINC000589425254 1038472205 /nfs/dbraw/zinc/47/22/05/1038472205.db2.gz FFVSNZFNIFAXHF-UHFFFAOYSA-N -1 1 305.399 3.619 20 0 DHADMM CC(C)(C)c1ccc(C(=O)Nc2ccnn2CC2CC2)c([O-])c1 ZINC001192314290 1038625995 /nfs/dbraw/zinc/62/59/95/1038625995.db2.gz NWVLQTAJKUFUQZ-UHFFFAOYSA-N -1 1 313.401 3.549 20 0 DHADMM CCC1(NC(=O)c2c(F)ccc([O-])c2F)CCC(F)(F)CC1 ZINC001192556040 1038676472 /nfs/dbraw/zinc/67/64/72/1038676472.db2.gz KNYZXSHQAKYTIH-UHFFFAOYSA-N -1 1 319.298 3.758 20 0 DHADMM O=C(Nc1cc2ccccc2cc1O)c1c(F)ccc([O-])c1F ZINC001192538977 1038679586 /nfs/dbraw/zinc/67/95/86/1038679586.db2.gz DLYNDEGKVROEDC-UHFFFAOYSA-N -1 1 315.275 3.782 20 0 DHADMM Cc1ccccc1CC(C)(C)NC(=O)c1cc([O-])cc(F)c1F ZINC001192684014 1038691522 /nfs/dbraw/zinc/69/15/22/1038691522.db2.gz LIEOVDOQGWXZCB-UHFFFAOYSA-N -1 1 319.351 3.730 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CCCc2sccc2C1 ZINC000593422946 1039540733 /nfs/dbraw/zinc/54/07/33/1039540733.db2.gz WWCHVGIEYUHTDQ-UHFFFAOYSA-N -1 1 307.802 3.696 20 0 DHADMM Cc1ccc(C(=O)CCC(=O)Nc2c([O-])cccc2F)s1 ZINC000605434757 1039680604 /nfs/dbraw/zinc/68/06/04/1039680604.db2.gz BVTJGZOVERGWCW-UHFFFAOYSA-N -1 1 307.346 3.503 20 0 DHADMM CC(C)c1cccc(OCC(=O)Nc2c([O-])cccc2F)c1 ZINC000605436766 1039681927 /nfs/dbraw/zinc/68/19/27/1039681927.db2.gz MGOIGBYSNVEMAI-UHFFFAOYSA-N -1 1 303.333 3.672 20 0 DHADMM C[C@@H]1CCc2sc(C(=O)Nc3c([O-])cccc3F)cc2C1 ZINC000605439269 1039682669 /nfs/dbraw/zinc/68/26/69/1039682669.db2.gz VSPXXABEDMGVJT-SECBINFHSA-N -1 1 305.374 3.970 20 0 DHADMM Cc1nc(C(F)(F)F)ccc1C(=O)Nc1c([O-])cccc1F ZINC000605440134 1039684770 /nfs/dbraw/zinc/68/47/70/1039684770.db2.gz LCYTVWHPVWCANF-UHFFFAOYSA-N -1 1 314.238 3.506 20 0 DHADMM O=S(=O)([N-]c1cccc(Cl)c1)c1cc(F)c(F)c(F)c1 ZINC000607610576 1040205855 /nfs/dbraw/zinc/20/58/55/1040205855.db2.gz DHEIIZFHVFFJLB-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM CS[C@@H]1CC[C@@H](NC(=O)c2ccc3ccccc3c2[O-])C1 ZINC000231678154 1040382078 /nfs/dbraw/zinc/38/20/78/1040382078.db2.gz KJTGDFZITUKMCA-CHWSQXEVSA-N -1 1 301.411 3.559 20 0 DHADMM O=C(CCCCCc1ccc(O)cc1)Nc1c([O-])cccc1F ZINC000608367444 1040475173 /nfs/dbraw/zinc/47/51/73/1040475173.db2.gz ZGFYLGAVKQJSLW-UHFFFAOYSA-N -1 1 317.360 3.979 20 0 DHADMM CC(C)COc1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000608367056 1040475566 /nfs/dbraw/zinc/47/55/66/1040475566.db2.gz SHLLKJJJVSXEEB-UHFFFAOYSA-N -1 1 303.333 3.818 20 0 DHADMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C)cc1C ZINC000608755453 1040600035 /nfs/dbraw/zinc/60/00/35/1040600035.db2.gz OWORRYVGGPILCF-UHFFFAOYSA-N -1 1 323.389 3.642 20 0 DHADMM Cc1ccc2c(CCC(=O)Nc3c([O-])cccc3F)c[nH]c2c1 ZINC000608760595 1040606535 /nfs/dbraw/zinc/60/65/35/1040606535.db2.gz LEWNXQBJRAWOOL-UHFFFAOYSA-N -1 1 312.344 3.892 20 0 DHADMM CSCc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000608955816 1040659124 /nfs/dbraw/zinc/65/91/24/1040659124.db2.gz OVSJKLHHNIWFGO-UHFFFAOYSA-N -1 1 321.467 3.967 20 0 DHADMM COc1ccc2occ(C(=O)Nc3c([O-])cccc3F)c2c1 ZINC000669612315 1040759253 /nfs/dbraw/zinc/75/92/53/1040759253.db2.gz CPEABVPXOHYMJU-UHFFFAOYSA-N -1 1 301.273 3.538 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000456292887 1040764970 /nfs/dbraw/zinc/76/49/70/1040764970.db2.gz XLLLYZWPOOEQBE-ROUUACIJSA-N -1 1 307.393 3.806 20 0 DHADMM CCCCC[C@@H](C)NC(=O)c1ccc(Br)c([O-])c1 ZINC000228316177 1040792263 /nfs/dbraw/zinc/79/22/63/1040792263.db2.gz IKRHDGKXOWACFI-SNVBAGLBSA-N -1 1 314.223 3.853 20 0 DHADMM O=C(c1ncccc1[O-])N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000456386932 1040797685 /nfs/dbraw/zinc/79/76/85/1040797685.db2.gz RTYCAYOHZAPIGT-CQSZACIVSA-N -1 1 316.788 3.808 20 0 DHADMM CSc1ccccc1[C@H](C)NC(=O)c1ccc([O-])c(F)c1 ZINC000669622072 1040860117 /nfs/dbraw/zinc/86/01/17/1040860117.db2.gz PBWJGOCINBKTTD-JTQLQIEISA-N -1 1 305.374 3.744 20 0 DHADMM CC[C@@H](OC1CCCCC1)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456792087 1040919701 /nfs/dbraw/zinc/91/97/01/1040919701.db2.gz ZXKUIECPFTZYHP-CYBMUJFWSA-N -1 1 313.344 3.737 20 0 DHADMM CC(C)c1cnc(CN[C@H](CCC(=O)[O-])c2ccccc2)s1 ZINC000417593120 335000249 /nfs/dbraw/zinc/00/02/49/335000249.db2.gz FPVDNPPMLPSEFJ-CQSZACIVSA-N -1 1 318.442 3.962 20 0 DHADMM CCCc1csc(CN[C@H](CCC(=O)[O-])c2ccccc2)n1 ZINC000417601416 335003062 /nfs/dbraw/zinc/00/30/62/335003062.db2.gz LPQUXDOBBQFSBI-OAHLLOKOSA-N -1 1 318.442 3.791 20 0 DHADMM O=C([O-])[C@@H]1C[C@@H](NCc2ccsc2Cl)c2ccccc21 ZINC000417637922 335022046 /nfs/dbraw/zinc/02/20/46/335022046.db2.gz ZPSADJXSBXCAAZ-CHWSQXEVSA-N -1 1 307.802 3.804 20 0 DHADMM [O-]c1ccc(-c2nc(-c3ccc4ncccc4c3)no2)c(F)c1 ZINC000391619198 335030823 /nfs/dbraw/zinc/03/08/23/335030823.db2.gz RUYSAMADMLGTOM-UHFFFAOYSA-N -1 1 307.284 3.797 20 0 DHADMM CCC1CCC(NC(=O)c2cc(Cl)c([O-])c(OC)c2)CC1 ZINC000135762967 335047165 /nfs/dbraw/zinc/04/71/65/335047165.db2.gz GEDVYDKOLUFBIP-UHFFFAOYSA-N -1 1 311.809 3.753 20 0 DHADMM O=C([O-])[C@H]1CC12CCN(Cc1c(Cl)cccc1Cl)CC2 ZINC000405378042 335060357 /nfs/dbraw/zinc/06/03/57/335060357.db2.gz VHVWWYSLQBDMKW-LLVKDONJSA-N -1 1 314.212 3.680 20 0 DHADMM O=C(c1cncc([O-])c1)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000275338648 130305801 /nfs/dbraw/zinc/30/58/01/130305801.db2.gz WRVBEMLQUJJEHT-GUDVDZBRSA-N -1 1 322.408 3.586 20 0 DHADMM O=C(NC[C@H]1CCCC[C@H]1C(F)(F)F)c1ccc([O-])cc1F ZINC000287961457 131307867 /nfs/dbraw/zinc/30/78/67/131307867.db2.gz DMINSDUDXMKWNH-BXKDBHETSA-N -1 1 319.298 3.630 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)N[C@@H](C1CC1)C(F)(F)F ZINC000288898420 131344118 /nfs/dbraw/zinc/34/41/18/131344118.db2.gz RWNWXOQRZXSEGQ-JTQLQIEISA-N -1 1 308.687 3.508 20 0 DHADMM O=C(c1c(F)ccc([O-])c1F)N1CCC(c2ccsc2)CC1 ZINC000289247175 131368995 /nfs/dbraw/zinc/36/89/95/131368995.db2.gz ASKXGZJQBUCBQG-UHFFFAOYSA-N -1 1 323.364 3.752 20 0 DHADMM CCOc1cc(CN[C@H](C)c2cccnc2)cc(Cl)c1O ZINC000299257349 132095990 /nfs/dbraw/zinc/09/59/90/132095990.db2.gz HTDGCJGBOMTIEV-LLVKDONJSA-N -1 1 306.793 3.690 20 0 DHADMM Cc1ccc(-c2ccc(CN[C@H](CC3CCC3)C(=O)[O-])o2)cc1 ZINC000417714429 335070360 /nfs/dbraw/zinc/07/03/60/335070360.db2.gz ZUIGMKSLZYKRCJ-QGZVFWFLSA-N -1 1 313.397 3.988 20 0 DHADMM CC[C@H](C)n1ncc([N-]c2nn3cc(C)nc3s2)c1C1CC1 ZINC000535692913 435342853 /nfs/dbraw/zinc/34/28/53/435342853.db2.gz VALIZDMQGRIEFS-JTQLQIEISA-N -1 1 316.434 3.888 20 0 DHADMM Cc1oc([C@@H](C)N2CCC(C(F)(F)F)CC2)cc1C(=O)[O-] ZINC000565599710 331736415 /nfs/dbraw/zinc/73/64/15/331736415.db2.gz ABYFJUGXYZVNCA-MRVPVSSYSA-N -1 1 305.296 3.622 20 0 DHADMM CCc1nc(SCC2CCC(F)(F)CC2)[n-]c(=O)c1C ZINC000569379875 332069218 /nfs/dbraw/zinc/06/92/18/332069218.db2.gz UHMBFCGIBRZSTK-UHFFFAOYSA-N -1 1 302.390 3.971 20 0 DHADMM CCCc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000426780643 332152244 /nfs/dbraw/zinc/15/22/44/332152244.db2.gz UUHMUWOCDWTCDQ-QGZVFWFLSA-N -1 1 301.361 3.694 20 0 DHADMM CCc1ccc(CN[C@H](C(=O)[O-])C23CC4CC(CC(C4)C2)C3)o1 ZINC000426780339 332152477 /nfs/dbraw/zinc/15/24/77/332152477.db2.gz QSHHPICAFZETCM-DUKHMXAISA-N -1 1 317.429 3.601 20 0 DHADMM COc1ccc(CN[C@H](CC(=O)[O-])c2ccc(C)o2)cc1Cl ZINC000426794422 332154538 /nfs/dbraw/zinc/15/45/38/332154538.db2.gz RICBNPMIXBIRBV-CYBMUJFWSA-N -1 1 323.776 3.556 20 0 DHADMM CC(C)(C)C[C@@H](NCc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC000426833776 332156519 /nfs/dbraw/zinc/15/65/19/332156519.db2.gz MRKULHOOAZFEEY-OAHLLOKOSA-N -1 1 301.386 3.926 20 0 DHADMM O=S(=O)([N-]c1cc(F)ccc1F)c1cc(Cl)ccc1F ZINC000560007982 332300888 /nfs/dbraw/zinc/30/08/88/332300888.db2.gz ZHZWUWBKWXUEIY-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM C[C@@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C[C@@H]1C(=O)[O-] ZINC000577750374 332306935 /nfs/dbraw/zinc/30/69/35/332306935.db2.gz ASOIZPYRZNYDFT-KOLCDFICSA-N -1 1 302.201 3.536 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CN1CC=C(c2ccc(F)cc2)CC1 ZINC000583386866 332379199 /nfs/dbraw/zinc/37/91/99/332379199.db2.gz PFRRCGMBGPZPGU-UHFFFAOYSA-N -1 1 315.344 3.715 20 0 DHADMM CCc1nc2c(s1)[C@@H](N(C)Cc1ccc(C(=O)[O-])o1)CCC2 ZINC000582127532 332389167 /nfs/dbraw/zinc/38/91/67/332389167.db2.gz YKCISOIYKRZCKI-LBPRGKRZSA-N -1 1 320.414 3.506 20 0 DHADMM CCc1cccc(Cl)c1CN[C@H](CC(=O)[O-])c1ccncc1 ZINC000569941381 332695505 /nfs/dbraw/zinc/69/55/05/332695505.db2.gz LSJDNAZPNWINFA-MRXNPFEDSA-N -1 1 318.804 3.603 20 0 DHADMM CC(C)[C@@H](CNC(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000181127798 333029076 /nfs/dbraw/zinc/02/90/76/333029076.db2.gz HYWVJYKDJFXSKD-MRXNPFEDSA-N -1 1 301.361 3.701 20 0 DHADMM O=C(NCCC[C@@H]1CCCCO1)c1ccc2ccccc2c1[O-] ZINC000183493943 333058435 /nfs/dbraw/zinc/05/84/35/333058435.db2.gz OQBDEJWXNPTSFR-HNNXBMFYSA-N -1 1 313.397 3.625 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1coc(Br)c1 ZINC000111667966 333073649 /nfs/dbraw/zinc/07/36/49/333073649.db2.gz WFPKMNUIMWNUEJ-UHFFFAOYSA-N -1 1 316.538 3.653 20 0 DHADMM COc1cc(Cl)ccc1-c1noc(-c2cc(F)ccc2[O-])n1 ZINC000318642479 333197627 /nfs/dbraw/zinc/19/76/27/333197627.db2.gz AMTDHNBUFFVOSU-UHFFFAOYSA-N -1 1 320.707 3.910 20 0 DHADMM COCC[C@@H](Sc1nc(C)c(C)c(=O)[n-]1)c1ccccc1 ZINC000413001382 333824891 /nfs/dbraw/zinc/82/48/91/333824891.db2.gz PKHSQCUEISVRQE-CQSZACIVSA-N -1 1 304.415 3.669 20 0 DHADMM CC[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000436753879 333996906 /nfs/dbraw/zinc/99/69/06/333996906.db2.gz WGBHHNDFOOYJKS-JTQLQIEISA-N -1 1 301.308 3.673 20 0 DHADMM CCCS(=O)(=O)[N-]c1ccc(SCc2ccccc2)cn1 ZINC000271913204 334028582 /nfs/dbraw/zinc/02/85/82/334028582.db2.gz BOIXXRKOXCMQBG-UHFFFAOYSA-N -1 1 322.455 3.526 20 0 DHADMM CCc1ccc(-c2ccc(CN3CCCC[C@H]3C(=O)[O-])o2)cc1 ZINC000414686337 334068957 /nfs/dbraw/zinc/06/89/57/334068957.db2.gz VGNRVCYWSJWSAZ-KRWDZBQOSA-N -1 1 313.397 3.948 20 0 DHADMM Cc1ccc(O[C@H](C)C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000111665908 334352580 /nfs/dbraw/zinc/35/25/80/334352580.db2.gz ATOMJLQPGOYQLU-LLVKDONJSA-N -1 1 305.761 3.760 20 0 DHADMM C[C@@H]1c2ccsc2CCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000049933467 334361158 /nfs/dbraw/zinc/36/11/58/334361158.db2.gz DGSQLBFYLIBSNZ-SECBINFHSA-N -1 1 307.802 3.867 20 0 DHADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@@H](C)[C@H]1C ZINC000416327524 334660716 /nfs/dbraw/zinc/66/07/16/334660716.db2.gz XXGRKCKSKHHJDE-UTLUCORTSA-N -1 1 301.308 3.528 20 0 DHADMM C[C@@H](CC1CC1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000112707649 334721793 /nfs/dbraw/zinc/72/17/93/334721793.db2.gz PBAHOSAUKKNXPP-LURJTMIESA-N -1 1 314.259 3.522 20 0 DHADMM CC(C)COc1ccc(CC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000535419650 334730892 /nfs/dbraw/zinc/73/08/92/334730892.db2.gz CSVDARXIFVLUAZ-UHFFFAOYSA-N -1 1 317.360 3.747 20 0 DHADMM CCOc1cc(C(=O)NC[C@H]2CC[C@H](C)C2)cc(Cl)c1[O-] ZINC000334071062 334865985 /nfs/dbraw/zinc/86/59/85/334865985.db2.gz XCZGZRCIYKQRQG-QWRGUYRKSA-N -1 1 311.809 3.610 20 0 DHADMM CC1(C)CN(C(=O)c2cc3ccccc3cc2[O-])CC(C)(C)O1 ZINC000189650074 334905392 /nfs/dbraw/zinc/90/53/92/334905392.db2.gz JAXXKOSVDSMYPX-UHFFFAOYSA-N -1 1 313.397 3.575 20 0 DHADMM COc1cc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc(Cl)c1[O-] ZINC000344891055 335283275 /nfs/dbraw/zinc/28/32/75/335283275.db2.gz UKAQUTDRUBZAFZ-FZMZJTMJSA-N -1 1 323.820 3.849 20 0 DHADMM COc1cc(C(=O)N2CCC[C@H]3CCCC[C@H]32)cc(Cl)c1[O-] ZINC000344891052 335283385 /nfs/dbraw/zinc/28/33/85/335283385.db2.gz UKAQUTDRUBZAFZ-BXUZGUMPSA-N -1 1 323.820 3.849 20 0 DHADMM Cc1ccc(CS(=O)(=O)[N-]c2ncccc2C(C)C)cc1F ZINC000345634223 335338328 /nfs/dbraw/zinc/33/83/28/335338328.db2.gz DECUDWKEGYLZEW-UHFFFAOYSA-N -1 1 322.405 3.594 20 0 DHADMM CCCCCN(Cc1ccc(F)cc1)C(=O)c1cncc([O-])c1 ZINC000346167201 335384570 /nfs/dbraw/zinc/38/45/70/335384570.db2.gz XFOLGZNFMCOBLD-UHFFFAOYSA-N -1 1 316.376 3.759 20 0 DHADMM O=C(Nc1cccc(Nc2ccccc2)c1)c1cncc([O-])c1 ZINC000346314243 335399352 /nfs/dbraw/zinc/39/93/52/335399352.db2.gz NWXMXICBYMRJRJ-UHFFFAOYSA-N -1 1 305.337 3.783 20 0 DHADMM CCSCc1cc(C(=O)[N-]c2cc(F)cc(F)c2F)no1 ZINC000348116968 335549186 /nfs/dbraw/zinc/54/91/86/335549186.db2.gz BTTOHAIJGCPSBC-UHFFFAOYSA-N -1 1 316.304 3.597 20 0 DHADMM COc1cc(C(=O)N2CC(C)(C)[C@H]2C(C)C)cc(Cl)c1[O-] ZINC000350716655 335775752 /nfs/dbraw/zinc/77/57/52/335775752.db2.gz XFPTYJOPXXGJIN-CQSZACIVSA-N -1 1 311.809 3.561 20 0 DHADMM Cc1nc(-c2ccc(N[C@@H]3CCC(C)(C)C3)nc2)[n-]c(=O)c1C ZINC000351507120 336039017 /nfs/dbraw/zinc/03/90/17/336039017.db2.gz XPQZPOFCDGUEQD-CQSZACIVSA-N -1 1 312.417 3.852 20 0 DHADMM Cc1ccc([C@@H]2CCCCN2C(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000331391779 336134564 /nfs/dbraw/zinc/13/45/64/336134564.db2.gz LXKSLSIXAKSMNX-SFHVURJKSA-N -1 1 323.392 3.637 20 0 DHADMM CN(C)c1cccc([C@H]2CCCN2Cc2cc(O)cc(F)c2)c1 ZINC000351997274 336187293 /nfs/dbraw/zinc/18/72/93/336187293.db2.gz SWQUEYZTQLJJNT-LJQANCHMSA-N -1 1 314.404 3.934 20 0 DHADMM O=c1cc(C2CC2)nc(SCc2ccn(C3CCCC3)n2)[n-]1 ZINC000333113579 336198113 /nfs/dbraw/zinc/19/81/13/336198113.db2.gz YBBSGTOSSXXJSR-UHFFFAOYSA-N -1 1 316.430 3.664 20 0 DHADMM Cc1cnc(-c2nc(=O)c3c4c(sc3[n-]2)C[C@@H](C)CC4)s1 ZINC000333174962 336199340 /nfs/dbraw/zinc/19/93/40/336199340.db2.gz OKWMVZFQXCNVDF-ZETCQYMHSA-N -1 1 317.439 3.954 20 0 DHADMM O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1ccc(F)cc1[O-] ZINC000532621209 336257081 /nfs/dbraw/zinc/25/70/81/336257081.db2.gz MUDJLBNWFBKGCN-UHFFFAOYSA-N -1 1 318.735 3.847 20 0 DHADMM Cc1nc(-c2ccc(N[C@@H]3CCC[C@H](C)C3)nc2)[n-]c(=O)c1C ZINC000301382802 336303647 /nfs/dbraw/zinc/30/36/47/336303647.db2.gz VKGKVOAAFASSGP-XHDPSFHLSA-N -1 1 312.417 3.852 20 0 DHADMM COC[C@H]([N-]c1nc(-c2ccc(C)cc2)no1)c1ccccc1 ZINC000302045941 336345289 /nfs/dbraw/zinc/34/52/89/336345289.db2.gz NCWKSVLZINCOJS-INIZCTEOSA-N -1 1 309.369 3.845 20 0 DHADMM CCOc1cc(C(=O)N(CC(C)C)C(C)C)cc(Cl)c1[O-] ZINC000358131115 336612632 /nfs/dbraw/zinc/61/26/32/336612632.db2.gz MIHXKJLSAZBCPJ-UHFFFAOYSA-N -1 1 313.825 3.951 20 0 DHADMM O=S(=O)([N-]c1cc(F)cc(F)c1)c1ccc(C(F)F)cc1 ZINC000361115721 336739350 /nfs/dbraw/zinc/73/93/50/336739350.db2.gz NRZCWAKQJWKOMA-UHFFFAOYSA-N -1 1 319.279 3.703 20 0 DHADMM COC(=O)c1c[n-]c(S[C@H]2CCCCc3ccccc32)n1 ZINC000193542814 337077917 /nfs/dbraw/zinc/07/79/17/337077917.db2.gz YCZIXCQUUMHQKK-AWEZNQCLSA-N -1 1 302.399 3.756 20 0 DHADMM CCc1nc(S[C@@H]2CCc3ccc(F)cc32)[n-]c(=O)c1C ZINC000582796317 337169338 /nfs/dbraw/zinc/16/93/38/337169338.db2.gz BRWSPYDKHVZHMU-CQSZACIVSA-N -1 1 304.390 3.972 20 0 DHADMM O=C(Cc1ccc(O)cc1Cl)Nc1ccc([O-])c(Cl)c1 ZINC000182878350 337190598 /nfs/dbraw/zinc/19/05/98/337190598.db2.gz HUIUEWJJHIPRJX-UHFFFAOYSA-N -1 1 312.152 3.586 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccn(C2CCCC2)n1 ZINC000182879358 337190609 /nfs/dbraw/zinc/19/06/09/337190609.db2.gz VJGVCFVWAKQIIF-UHFFFAOYSA-N -1 1 305.765 3.610 20 0 DHADMM C[N@@H+](Cc1cc(O)cc(F)c1)Cc1ccccc1N1CCCC1 ZINC000186166643 337254202 /nfs/dbraw/zinc/25/42/02/337254202.db2.gz AGPOJJZHLOTHIV-UHFFFAOYSA-N -1 1 314.404 3.764 20 0 DHADMM CCc1noc(C)c1[N-]C(=O)c1ncoc1-c1ccc(F)cc1 ZINC000186645906 337258192 /nfs/dbraw/zinc/25/81/92/337258192.db2.gz ZNDWDXKEGZMGLV-UHFFFAOYSA-N -1 1 315.304 3.592 20 0 DHADMM CCOc1cc(C(=O)N2CCC[C@H](C)[C@H]2C)cc(Cl)c1[O-] ZINC000186832252 337260023 /nfs/dbraw/zinc/26/00/23/337260023.db2.gz JHDGECSIBFEEHF-WDEREUQCSA-N -1 1 311.809 3.705 20 0 DHADMM CCOc1cc(C(=O)N2C[C@H](C)CC[C@H]2C)cc(Cl)c1[O-] ZINC000186843048 337260586 /nfs/dbraw/zinc/26/05/86/337260586.db2.gz GNXBJGFBJSHOEQ-GHMZBOCLSA-N -1 1 311.809 3.705 20 0 DHADMM Cn1ccc2cccc(NC(=O)c3cn[nH]c3-c3ccccc3)c21 ZINC000188130906 337271013 /nfs/dbraw/zinc/27/10/13/337271013.db2.gz PLANTOFDFIHPFF-UHFFFAOYSA-N -1 1 316.364 3.821 20 0 DHADMM C[C@H]1CCCCCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000231346723 337277524 /nfs/dbraw/zinc/27/75/24/337277524.db2.gz UKQDHOLFTRUYGC-JTQLQIEISA-N -1 1 312.207 3.559 20 0 DHADMM C[C@H](C(=O)[O-])[C@H](NCc1cccc(F)c1F)c1ccccc1 ZINC000583239530 337284005 /nfs/dbraw/zinc/28/40/05/337284005.db2.gz BOQQNTODZZAOQB-ZBEGNZNMSA-N -1 1 305.324 3.516 20 0 DHADMM COc1ccc(-c2nc([C@@H]3CCc4ccccc43)no2)c([O-])c1 ZINC000321933100 337305769 /nfs/dbraw/zinc/30/57/69/337305769.db2.gz TUUROISGCWPLPE-CQSZACIVSA-N -1 1 308.337 3.529 20 0 DHADMM COc1ccc(CN(Cc2csc(C(=O)[O-])c2)C2CC2)cc1 ZINC000583817837 337338490 /nfs/dbraw/zinc/33/84/90/337338490.db2.gz DBWKZZJIGYOIRW-UHFFFAOYSA-N -1 1 317.410 3.620 20 0 DHADMM O=C(CCC(=O)c1ccc(F)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000128679326 337426353 /nfs/dbraw/zinc/42/63/53/337426353.db2.gz GOKFTFKUMYJPPU-UHFFFAOYSA-N -1 1 321.735 3.786 20 0 DHADMM CCc1nc(SCC(=O)c2cccc(Cl)c2)[n-]c(=O)c1C ZINC000572379643 337619235 /nfs/dbraw/zinc/61/92/35/337619235.db2.gz MNRZGARXGZFFOZ-UHFFFAOYSA-N -1 1 322.817 3.681 20 0 DHADMM CC(C)(C)c1ccc(C(=O)Nc2ccc([O-])c(F)c2F)nc1 ZINC000421903444 337660001 /nfs/dbraw/zinc/66/00/01/337660001.db2.gz XDBUIKKPDLGOIA-UHFFFAOYSA-N -1 1 306.312 3.615 20 0 DHADMM CCCCCc1nnc([N-]C(=O)c2conc2C(C)C)s1 ZINC000528143959 337789916 /nfs/dbraw/zinc/78/99/16/337789916.db2.gz XOQRNZZJSQKMOM-UHFFFAOYSA-N -1 1 308.407 3.635 20 0 DHADMM Cc1nc(-c2ccccc2)sc1[N-]S(=O)(=O)CCC1CC1 ZINC000541304563 337886428 /nfs/dbraw/zinc/88/64/28/337886428.db2.gz CTSJLEBVSKEYSF-UHFFFAOYSA-N -1 1 322.455 3.660 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2Cl)sc1C ZINC000515327114 337985560 /nfs/dbraw/zinc/98/55/60/337985560.db2.gz CZYBGOHNKISHOZ-UHFFFAOYSA-N -1 1 319.810 3.958 20 0 DHADMM CC(C)(c1nc(-c2ccc([O-])cc2Cl)no1)c1cccnc1 ZINC000445450528 338011152 /nfs/dbraw/zinc/01/11/52/338011152.db2.gz YNMNHYAXSMZQJO-UHFFFAOYSA-N -1 1 315.760 3.817 20 0 DHADMM CC(C)(c1cccs1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445454638 338017219 /nfs/dbraw/zinc/01/72/19/338017219.db2.gz HCROGPYSHQNYGP-UHFFFAOYSA-N -1 1 304.346 3.969 20 0 DHADMM CC(C)Cc1nc(-c2nc(-c3ccc([O-])cc3F)no2)cs1 ZINC000445461424 338022234 /nfs/dbraw/zinc/02/22/34/338022234.db2.gz HCVVXQKJOICFSB-UHFFFAOYSA-N -1 1 319.361 3.903 20 0 DHADMM O=C([O-])c1coc(CNCc2ccc(-c3ccccc3)cc2)c1 ZINC000426686547 338038169 /nfs/dbraw/zinc/03/81/69/338038169.db2.gz FYJBVVJLBMAWBU-UHFFFAOYSA-N -1 1 307.349 3.935 20 0 DHADMM O=C([O-])C[C@@H](NCc1cc(F)cc(Cl)c1)c1ccsc1 ZINC000426688610 338038290 /nfs/dbraw/zinc/03/82/90/338038290.db2.gz WCCJLZSUANXPIU-CYBMUJFWSA-N -1 1 313.781 3.846 20 0 DHADMM Cc1nc(CNCc2cc3ccccc3s2)sc1C(=O)[O-] ZINC000426706186 338038672 /nfs/dbraw/zinc/03/86/72/338038672.db2.gz RTISTKNPPLJQQY-UHFFFAOYSA-N -1 1 318.423 3.654 20 0 DHADMM Cc1cc(C)cc([C@@H](NCc2ccccc2Cl)C(=O)[O-])c1 ZINC000426757695 338041095 /nfs/dbraw/zinc/04/10/95/338041095.db2.gz PZUYEAATXDAQAK-MRXNPFEDSA-N -1 1 303.789 3.872 20 0 DHADMM CCOc1cc(C(=O)N(C)[C@H]2CC[C@@H](C)C2)cc(Cl)c1[O-] ZINC000430471700 338107560 /nfs/dbraw/zinc/10/75/60/338107560.db2.gz UZFSKVKHJSEWCV-PWSUYJOCSA-N -1 1 311.809 3.705 20 0 DHADMM [O-]c1ccc(-c2nc3cnccc3s2)cc1Br ZINC000436653675 338281619 /nfs/dbraw/zinc/28/16/19/338281619.db2.gz CCSCCLRTSNBTIL-UHFFFAOYSA-N -1 1 307.172 3.826 20 0 DHADMM C=Cc1ccc(S(=O)(=O)[N-]c2ccc3scnc3c2)cc1 ZINC000436474843 338273553 /nfs/dbraw/zinc/27/35/53/338273553.db2.gz DYDPBCZLLHEYAR-UHFFFAOYSA-N -1 1 316.407 3.740 20 0 DHADMM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)cc1 ZINC000436478746 338273698 /nfs/dbraw/zinc/27/36/98/338273698.db2.gz RYELNIZLCFDFIP-UHFFFAOYSA-N -1 1 311.765 3.923 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@H](c2ccccc2F)C1 ZINC000436487284 338273787 /nfs/dbraw/zinc/27/37/87/338273787.db2.gz KOYQVPNISLXSRR-NSHDSACASA-N -1 1 319.763 3.814 20 0 DHADMM CC[C@@H]1C[C@@]1(NC(=O)c1ccc([O-])cc1F)c1cccc(C)c1 ZINC000436510932 338274571 /nfs/dbraw/zinc/27/45/71/338274571.db2.gz JSHAOUQFGREYJL-YJYMSZOUSA-N -1 1 313.372 3.895 20 0 DHADMM O=C1CCCc2cc(-c3nc(-c4ccc([O-])c(F)c4)no3)ccc21 ZINC000436521058 338275015 /nfs/dbraw/zinc/27/50/15/338275015.db2.gz KMJRWNFPBYYETM-UHFFFAOYSA-N -1 1 324.311 3.767 20 0 DHADMM CC(C)c1ccc(C(=O)N2CCOc3cc(F)ccc32)c([O-])c1 ZINC000436529476 338275272 /nfs/dbraw/zinc/27/52/72/338275272.db2.gz ONFIZCUCKQWXSQ-UHFFFAOYSA-N -1 1 315.344 3.694 20 0 DHADMM CC(C)N(Cc1ccccc1F)C(=O)c1cc(F)ccc1[O-] ZINC000436533630 338275505 /nfs/dbraw/zinc/27/55/05/338275505.db2.gz MRMFCIZXMQWQFU-UHFFFAOYSA-N -1 1 305.324 3.721 20 0 DHADMM CC(C)CN(Cc1ccccc1)C(=O)c1cc(F)ccc1[O-] ZINC000436535857 338275893 /nfs/dbraw/zinc/27/58/93/338275893.db2.gz UEOCAIBRIZUUQU-UHFFFAOYSA-N -1 1 301.361 3.830 20 0 DHADMM COc1cccc(N(CC(C)C)C(=O)c2cc(F)ccc2[O-])c1 ZINC000436541775 338276097 /nfs/dbraw/zinc/27/60/97/338276097.db2.gz XZNIGBZENVJFDN-UHFFFAOYSA-N -1 1 317.360 3.843 20 0 DHADMM Cc1ccccc1C[C@H]1CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000436552518 338276885 /nfs/dbraw/zinc/27/68/85/338276885.db2.gz XGJGWXFBDIBHFB-MRXNPFEDSA-N -1 1 313.372 3.687 20 0 DHADMM O=C(Nc1ccc2nccnc2c1)c1ccc2ccccc2c1[O-] ZINC000436568022 338277404 /nfs/dbraw/zinc/27/74/04/338277404.db2.gz ZTOZBDSBROSBKI-UHFFFAOYSA-N -1 1 315.332 3.741 20 0 DHADMM C[C@H]1CCN(C(=O)c2cc(F)ccc2[O-])[C@H]1c1cccc(F)c1 ZINC000436574945 338277906 /nfs/dbraw/zinc/27/79/06/338277906.db2.gz NHTUBQIPKYICNP-APPDUMDISA-N -1 1 317.335 3.894 20 0 DHADMM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cc(F)ccc1[O-] ZINC000436575764 338278086 /nfs/dbraw/zinc/27/80/86/338278086.db2.gz NKIBAPAUSINXDP-ZFWWWQNUSA-N -1 1 313.372 3.625 20 0 DHADMM O=C(N[C@H]1CC[C@@H](c2ccccc2F)C1)c1c([O-])cccc1F ZINC000436594071 338279069 /nfs/dbraw/zinc/27/90/69/338279069.db2.gz FPDFEQRQOARBSY-NEPJUHHUSA-N -1 1 317.335 3.737 20 0 DHADMM CCc1c(NC(=O)c2ccccc2[O-])cnn1-c1cccc(C)c1 ZINC000436596314 338279079 /nfs/dbraw/zinc/27/90/79/338279079.db2.gz PWKVAYQWWPXXKQ-UHFFFAOYSA-N -1 1 321.380 3.701 20 0 DHADMM CCc1c(NC(=O)c2ccc([O-])cc2F)cnn1C(CC)CC ZINC000436596707 338279291 /nfs/dbraw/zinc/27/92/91/338279291.db2.gz RPGZCHKUKZAQMX-UHFFFAOYSA-N -1 1 319.380 3.904 20 0 DHADMM C[C@@H](Cc1ccc(O)cc1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000436607937 338279784 /nfs/dbraw/zinc/27/97/84/338279784.db2.gz SUHAPXFCCKFHAH-ZDUSSCGKSA-N -1 1 321.376 3.612 20 0 DHADMM CC[C@H](C)Oc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)ccn1 ZINC000436630999 338280704 /nfs/dbraw/zinc/28/07/04/338280704.db2.gz RMXFZHIWKVCEER-JTQLQIEISA-N -1 1 320.776 3.870 20 0 DHADMM Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436668796 338282189 /nfs/dbraw/zinc/28/21/89/338282189.db2.gz XWJJVDYKVVMZKX-UHFFFAOYSA-N -1 1 317.295 3.767 20 0 DHADMM O=C(NCC1(C(F)(F)F)CCC1)c1ccc(Cl)cc1[O-] ZINC000436684828 338282699 /nfs/dbraw/zinc/28/26/99/338282699.db2.gz HGWQESSVQIRMIR-UHFFFAOYSA-N -1 1 307.699 3.508 20 0 DHADMM CCOCc1ccccc1-c1noc(-c2ccc([O-])cc2F)n1 ZINC000436686979 338282760 /nfs/dbraw/zinc/28/27/60/338282760.db2.gz GUCRUKHCQDBXOF-UHFFFAOYSA-N -1 1 314.316 3.785 20 0 DHADMM CCOc1ccc(-c2noc(-c3ccc([O-])cc3F)n2)cc1F ZINC000436685986 338282771 /nfs/dbraw/zinc/28/27/71/338282771.db2.gz FBUZNCKBENGAMK-UHFFFAOYSA-N -1 1 318.279 3.786 20 0 DHADMM CCOCc1ccc(-c2noc(-c3ccc([O-])cc3F)n2)cc1 ZINC000436689716 338283073 /nfs/dbraw/zinc/28/30/73/338283073.db2.gz NTRKAXFASIHDQU-UHFFFAOYSA-N -1 1 314.316 3.785 20 0 DHADMM Cc1noc(C)c1C(C)(C)NC(=O)c1ccc2ccccc2c1[O-] ZINC000436713577 338283733 /nfs/dbraw/zinc/28/37/33/338283733.db2.gz RDGYJCAWONGYGX-UHFFFAOYSA-N -1 1 324.380 3.815 20 0 DHADMM CCCC[C@@H](C)N(CCCC)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436709668 338283748 /nfs/dbraw/zinc/28/37/48/338283748.db2.gz OQNWGBGCVVWJAK-CQSZACIVSA-N -1 1 305.418 3.782 20 0 DHADMM CN(C(=O)c1ccc2ccccc2c1[O-])C1Cc2ccccc2C1 ZINC000436715158 338283784 /nfs/dbraw/zinc/28/37/84/338283784.db2.gz VSYYFBMKXKZSAG-UHFFFAOYSA-N -1 1 317.388 3.785 20 0 DHADMM CC1(C)CN(C(=O)c2ccc([O-])cc2F)[C@@H]1c1cccs1 ZINC000436740221 338285080 /nfs/dbraw/zinc/28/50/80/338285080.db2.gz PYXFQNKIGJJPIM-CQSZACIVSA-N -1 1 305.374 3.816 20 0 DHADMM O=C(N[C@H]1CCSc2c(F)cccc21)c1cc(F)ccc1[O-] ZINC000436756398 338285727 /nfs/dbraw/zinc/28/57/27/338285727.db2.gz DAFXDKVQYNYRMP-ZDUSSCGKSA-N -1 1 321.348 3.637 20 0 DHADMM O=C(Nc1ccc(Cc2ccncc2)cc1)c1cc(F)ccc1[O-] ZINC000436757353 338285776 /nfs/dbraw/zinc/28/57/76/338285776.db2.gz SQOFNKSJLGZPSM-UHFFFAOYSA-N -1 1 322.339 3.769 20 0 DHADMM C[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@H](C)C1 ZINC000436765127 338286370 /nfs/dbraw/zinc/28/63/70/338286370.db2.gz VSEYEZTWPIHGBS-WDEREUQCSA-N -1 1 315.335 3.919 20 0 DHADMM O=C(Nc1cccc(-c2ccccc2)c1)C(=O)c1ccc([O-])cc1 ZINC000436770650 338286712 /nfs/dbraw/zinc/28/67/12/338286712.db2.gz SIVIZXBPROAMMG-UHFFFAOYSA-N -1 1 317.344 3.881 20 0 DHADMM O=C(Nc1cccc(Cl)c1O)c1cc(F)cc(Cl)c1[O-] ZINC000436784773 338287354 /nfs/dbraw/zinc/28/73/54/338287354.db2.gz QZMASCWHSTVFFV-UHFFFAOYSA-N -1 1 316.115 3.796 20 0 DHADMM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1cc(F)ccc1[O-] ZINC000436791494 338287457 /nfs/dbraw/zinc/28/74/57/338287457.db2.gz JSMRPWHZDXKPGS-XJKCOSOUSA-N -1 1 313.372 3.938 20 0 DHADMM O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)c1ccc(Cl)cc1[O-] ZINC000436798078 338287791 /nfs/dbraw/zinc/28/77/91/338287791.db2.gz QWTMTMHUNNIMRW-MFKMUULPSA-N -1 1 323.726 3.610 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)c([O-])c1 ZINC000436814118 338288251 /nfs/dbraw/zinc/28/82/51/338288251.db2.gz RMULCDFGECPPNG-UHFFFAOYSA-N -1 1 312.325 3.615 20 0 DHADMM O=C(Nc1cccc2c1OCCO2)c1ccc2ccccc2c1[O-] ZINC000436825441 338288784 /nfs/dbraw/zinc/28/87/84/338288784.db2.gz KQWKJRPSZTXKRU-UHFFFAOYSA-N -1 1 321.332 3.569 20 0 DHADMM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc([O-])cc3F)C2)cc1 ZINC000436827450 338288796 /nfs/dbraw/zinc/28/87/96/338288796.db2.gz NUXYYXVMPKGXNC-UKRRQHHQSA-N -1 1 313.372 3.858 20 0 DHADMM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC(C)(C)C1 ZINC000436838926 338289320 /nfs/dbraw/zinc/28/93/20/338289320.db2.gz SFQQHSYHVLLUPV-SNVBAGLBSA-N -1 1 315.335 3.919 20 0 DHADMM COCCc1ccccc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000436838243 338289370 /nfs/dbraw/zinc/28/93/70/338289370.db2.gz JAIIPZYSUUQCMH-UHFFFAOYSA-N -1 1 313.397 3.957 20 0 DHADMM CCO[C@@H](CCNC(=O)c1cc2ccccc2cc1[O-])C(C)C ZINC000436838291 338289379 /nfs/dbraw/zinc/28/93/79/338289379.db2.gz MEQRJQRJWIWFJB-SFHVURJKSA-N -1 1 315.413 3.726 20 0 DHADMM COc1ccc(C(=O)Nc2cc(C)c(OC)cc2Cl)c([O-])c1 ZINC000436849872 338289889 /nfs/dbraw/zinc/28/98/89/338289889.db2.gz VPERGZLFHRHLMW-UHFFFAOYSA-N -1 1 321.760 3.624 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3cnc4ccccc4c3)n2)c(F)c1 ZINC000436872298 338291044 /nfs/dbraw/zinc/29/10/44/338291044.db2.gz KDQWMQPOOCCHCQ-UHFFFAOYSA-N -1 1 321.311 3.720 20 0 DHADMM CCc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c(O)c1 ZINC000436879738 338291518 /nfs/dbraw/zinc/29/15/18/338291518.db2.gz NPOUFSDBUBQRSV-UHFFFAOYSA-N -1 1 300.289 3.516 20 0 DHADMM O=C(NC[C@@H]1CCC(F)(F)C1)c1cc2ccccc2cc1[O-] ZINC000436908415 338293150 /nfs/dbraw/zinc/29/31/50/338293150.db2.gz MRADPNUITQYPTR-LLVKDONJSA-N -1 1 305.324 3.711 20 0 DHADMM O=C(N[C@@H]1CC[C@H](c2cccc(F)c2)C1)c1c([O-])cccc1F ZINC000436921685 338293542 /nfs/dbraw/zinc/29/35/42/338293542.db2.gz KJODIPVKMAVWTF-GXTWGEPZSA-N -1 1 317.335 3.737 20 0 DHADMM [O-]c1ccc(F)cc1-c1nc(-c2cncc3ccccc32)no1 ZINC000436940743 338294894 /nfs/dbraw/zinc/29/48/94/338294894.db2.gz YDJJQPNWINQBDJ-UHFFFAOYSA-N -1 1 307.284 3.797 20 0 DHADMM O=C(N[C@H]1CCc2c1cccc2Cl)c1c([O-])cccc1F ZINC000436944499 338295143 /nfs/dbraw/zinc/29/51/43/338295143.db2.gz MRFTYJJUONZSPC-ZDUSSCGKSA-N -1 1 305.736 3.602 20 0 DHADMM Cc1cc(-c2noc(-c3ccc4ccccc4c3[O-])n2)ccn1 ZINC000436957465 338295834 /nfs/dbraw/zinc/29/58/34/338295834.db2.gz VEBNPVDMWCDIDQ-UHFFFAOYSA-N -1 1 303.321 3.966 20 0 DHADMM C[C@H](NC(=O)c1c([O-])cccc1F)c1cc2cccc(F)c2o1 ZINC000436966095 338296212 /nfs/dbraw/zinc/29/62/12/338296212.db2.gz LULFOWXOTBOUMF-VIFPVBQESA-N -1 1 317.291 3.908 20 0 DHADMM CSc1ccccc1CN(C)C(=O)c1cc(F)ccc1[O-] ZINC000436991212 338296914 /nfs/dbraw/zinc/29/69/14/338296914.db2.gz QUAIIKWREWLULA-UHFFFAOYSA-N -1 1 305.374 3.525 20 0 DHADMM CC[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(Cl)s1 ZINC000436996626 338297127 /nfs/dbraw/zinc/29/71/27/338297127.db2.gz CTDUZPHYMPSQCU-LLVKDONJSA-N -1 1 323.801 3.557 20 0 DHADMM Cc1ccc([C@H]2CCN(C(=O)c3cc(F)ccc3[O-])C2)c(C)c1 ZINC000437006594 338297462 /nfs/dbraw/zinc/29/74/62/338297462.db2.gz YHVTUBDFCSZRRV-AWEZNQCLSA-N -1 1 313.372 3.778 20 0 DHADMM O=C(N[C@H]1CC[C@H](c2ccc(F)cc2)C1)c1c([O-])cccc1F ZINC000437005095 338297555 /nfs/dbraw/zinc/29/75/55/338297555.db2.gz VENDYNKZUYVMAX-JSGCOSHPSA-N -1 1 317.335 3.737 20 0 DHADMM O=C(Nc1nc2ccccc2s1)c1c(F)ccc([O-])c1F ZINC000438794168 338352187 /nfs/dbraw/zinc/35/21/87/338352187.db2.gz RLQKCYWFTFFSDL-UHFFFAOYSA-N -1 1 306.293 3.532 20 0 DHADMM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1cc(F)ccc1[O-] ZINC000439052978 338359699 /nfs/dbraw/zinc/35/96/99/338359699.db2.gz FAZJVTORXPJCAC-MNOVXSKESA-N -1 1 317.335 3.818 20 0 DHADMM CCCC[C@H](CCC)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000450107943 338667378 /nfs/dbraw/zinc/66/73/78/338667378.db2.gz ZFHAXOHFJDCOPL-ZDUSSCGKSA-N -1 1 321.465 3.877 20 0 DHADMM CC[C@H](OC1CCCCC1)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456792088 338941008 /nfs/dbraw/zinc/94/10/08/338941008.db2.gz ZXKUIECPFTZYHP-ZDUSSCGKSA-N -1 1 313.344 3.737 20 0 DHADMM Cc1cnc(C(=O)N2CCC[C@@H]2CC2CCCCC2)c([O-])c1 ZINC000460284166 339054341 /nfs/dbraw/zinc/05/43/41/339054341.db2.gz UZGLZSQINTVVCA-OAHLLOKOSA-N -1 1 302.418 3.671 20 0 DHADMM CN(C(=O)c1cncc([O-])c1)c1ccc(Oc2ccccc2)cc1 ZINC000469625054 339294695 /nfs/dbraw/zinc/29/46/95/339294695.db2.gz IKSVHDOPPWHYCR-UHFFFAOYSA-N -1 1 320.348 3.856 20 0 DHADMM CCC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473918648 339394925 /nfs/dbraw/zinc/39/49/25/339394925.db2.gz MFISJJGVDWBMGF-UHFFFAOYSA-N -1 1 314.209 3.599 20 0 DHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)c1 ZINC000484158449 339682331 /nfs/dbraw/zinc/68/23/31/339682331.db2.gz ISODIOACVJAFSP-UHFFFAOYSA-N -1 1 312.394 3.791 20 0 DHADMM O=C(COC/C=C\c1ccccc1)Nc1ccc([O-])c(Cl)c1 ZINC000509177701 340263089 /nfs/dbraw/zinc/26/30/89/340263089.db2.gz ILKJLPWXQSTLIL-DAXSKMNVSA-N -1 1 317.772 3.714 20 0 DHADMM COc1ccccc1C1(C(=O)Nc2ccc([O-])c(Cl)c2)CC1 ZINC000509186902 340263313 /nfs/dbraw/zinc/26/33/13/340263313.db2.gz UJUQNYHZFIJBEY-UHFFFAOYSA-N -1 1 317.772 3.725 20 0 DHADMM COc1ccc([C@@H](C)NC(=O)c2cc(Cl)ccc2[O-])cc1F ZINC000302702836 340279473 /nfs/dbraw/zinc/27/94/73/340279473.db2.gz UFAOIBXXBLKLNB-SECBINFHSA-N -1 1 323.751 3.684 20 0 DHADMM CC[C@@H](CC1CCCCC1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000511540720 340330000 /nfs/dbraw/zinc/33/00/00/340330000.db2.gz MLYJDDUDROMPOC-JTQLQIEISA-N -1 1 318.343 3.759 20 0 DHADMM O=S(=O)([N-]c1ccccc1CC(F)(F)F)c1ccccc1 ZINC000172901569 340347288 /nfs/dbraw/zinc/34/72/88/340347288.db2.gz XRQIZVQSUZVQGQ-UHFFFAOYSA-N -1 1 315.316 3.592 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000173380021 340363774 /nfs/dbraw/zinc/36/37/74/340363774.db2.gz JATTTWGFLQVDEK-KBXCAEBGSA-N -1 1 313.784 3.888 20 0 DHADMM CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000175018969 340401251 /nfs/dbraw/zinc/40/12/51/340401251.db2.gz DJSATQPCELJOMG-AWEZNQCLSA-N -1 1 323.751 3.981 20 0 DHADMM CC(C)c1cc(C(=O)Nc2ccc([O-])c(Cl)c2)cc(=O)[nH]1 ZINC000182864200 340485597 /nfs/dbraw/zinc/48/55/97/340485597.db2.gz MIRQPDXFRQUJDN-UHFFFAOYSA-N -1 1 306.749 3.522 20 0 DHADMM COc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1F ZINC000190941209 340548300 /nfs/dbraw/zinc/54/83/00/340548300.db2.gz PZHBDJYXTFEDON-UHFFFAOYSA-N -1 1 310.712 3.837 20 0 DHADMM CCOc1cc(C(=O)N(C)c2ccccc2)cc(Cl)c1[O-] ZINC000192980631 340571204 /nfs/dbraw/zinc/57/12/04/340571204.db2.gz SRTZQOCWTPWBKX-UHFFFAOYSA-N -1 1 305.761 3.721 20 0 DHADMM C[C@H]1CCCCCN1C(=O)c1cc(Br)ccc1[O-] ZINC000226954347 340593430 /nfs/dbraw/zinc/59/34/30/340593430.db2.gz AFIKKPPWFFLMFJ-JTQLQIEISA-N -1 1 312.207 3.559 20 0 DHADMM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000315917875 340677486 /nfs/dbraw/zinc/67/74/86/340677486.db2.gz OZKAGJPZQIBUKD-CQSZACIVSA-N -1 1 319.426 3.973 20 0 DHADMM CCOc1ccccc1-c1noc(-c2cc(F)ccc2[O-])n1 ZINC000316516063 340688795 /nfs/dbraw/zinc/68/87/95/340688795.db2.gz VBOIJMUWHSSGHS-UHFFFAOYSA-N -1 1 300.289 3.647 20 0 DHADMM Cc1nc(CC(C)C)c(C(=O)Nc2cccc(F)c2[O-])s1 ZINC000530004504 340775803 /nfs/dbraw/zinc/77/58/03/340775803.db2.gz CVNUWGNSPFGXLG-UHFFFAOYSA-N -1 1 308.378 3.747 20 0 DHADMM O=C(NCc1ccc(-c2cccnc2)cc1)c1c([O-])cccc1F ZINC000127318517 340849180 /nfs/dbraw/zinc/84/91/80/340849180.db2.gz MSZLHNHBCNZLDG-UHFFFAOYSA-N -1 1 322.339 3.523 20 0 DHADMM Cc1cccc([N-]S(=O)(=O)c2cccc(C)c2Cl)c1F ZINC000539399079 340883595 /nfs/dbraw/zinc/88/35/95/340883595.db2.gz HVKITLBOOKETDQ-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM C[C@H]1CCCCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000070410737 340995241 /nfs/dbraw/zinc/99/52/41/340995241.db2.gz VZLQSBOUJLQAPW-JTQLQIEISA-N -1 1 312.207 3.559 20 0 DHADMM COc1ccc2cc(C(=O)Nc3ccc([O-])c(Cl)c3)[nH]c2c1 ZINC000543746009 341056530 /nfs/dbraw/zinc/05/65/30/341056530.db2.gz OHKSSHHPNYRPMC-UHFFFAOYSA-N -1 1 316.744 3.788 20 0 DHADMM Oc1cccnc1C[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000564290452 341124100 /nfs/dbraw/zinc/12/41/00/341124100.db2.gz IDLVAVHVJYSYIR-UHFFFAOYSA-N -1 1 323.371 3.697 20 0 DHADMM CC[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1nccs1 ZINC000134238640 341210385 /nfs/dbraw/zinc/21/03/85/341210385.db2.gz VYOGGPIMSAQLPZ-CQSZACIVSA-N -1 1 312.394 3.883 20 0 DHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000134773276 341223762 /nfs/dbraw/zinc/22/37/62/341223762.db2.gz HDNBCMNAOXYFNM-UHFFFAOYSA-N -1 1 323.801 3.652 20 0 DHADMM Cc1cnc(C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c([O-])c1 ZINC000547650839 341225155 /nfs/dbraw/zinc/22/51/55/341225155.db2.gz WNYFZBARXVWPFC-UHFFFAOYSA-N -1 1 312.413 3.665 20 0 DHADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2cccc(CC)c2)c1 ZINC000135386973 341238335 /nfs/dbraw/zinc/23/83/35/341238335.db2.gz JHTKRAFEVSTPQT-UHFFFAOYSA-N -1 1 317.410 3.643 20 0 DHADMM CC(C)(CC[N-]S(=O)(=O)c1cc2ccccc2o1)C1CC1 ZINC000549560418 341297771 /nfs/dbraw/zinc/29/77/71/341297771.db2.gz SJBFHTIHQMFNEN-UHFFFAOYSA-N -1 1 307.415 3.537 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1Cc2ccccc2S1 ZINC000082192655 341317901 /nfs/dbraw/zinc/31/79/01/341317901.db2.gz KQMOSKXLXZCPOL-AWEZNQCLSA-N -1 1 305.786 3.701 20 0 DHADMM CCCc1nc(-c2nc3cc(Cl)c(Cl)cc3c(=O)[n-]2)co1 ZINC000550587337 341318906 /nfs/dbraw/zinc/31/89/06/341318906.db2.gz ONICEXYBXBKUGC-UHFFFAOYSA-N -1 1 324.167 3.837 20 0 DHADMM C[C@@H](Cn1ccc2ccccc21)C(=O)Nc1ccc(F)cc1[O-] ZINC000552134383 341372332 /nfs/dbraw/zinc/37/23/32/341372332.db2.gz AFHCIIBGGZBKRZ-LBPRGKRZSA-N -1 1 312.344 3.761 20 0 DHADMM O=C(N[C@H]1CCc2c1cccc2Cl)c1ccc([O-])cc1F ZINC000154632632 341592761 /nfs/dbraw/zinc/59/27/61/341592761.db2.gz MEGZDIICLMNSML-HNNXBMFYSA-N -1 1 305.736 3.602 20 0 DHADMM Cc1ccc(C[C@H](C)NC(=O)c2ccc([O-])cc2F)c(C)c1 ZINC000154876549 341597248 /nfs/dbraw/zinc/59/72/48/341597248.db2.gz YHXXLPVHMJMJOE-ZDUSSCGKSA-N -1 1 301.361 3.509 20 0 DHADMM CCc1ccc(CC)c(C(=O)CSc2ncc(C)c(=O)[n-]2)c1 ZINC000576361829 341842535 /nfs/dbraw/zinc/84/25/35/341842535.db2.gz RZSMCVUYBLDBSZ-UHFFFAOYSA-N -1 1 316.426 3.590 20 0 DHADMM Cc1cc(F)ccc1Cc1noc(-c2cc(F)ccc2[O-])n1 ZINC000577026843 341878087 /nfs/dbraw/zinc/87/80/87/341878087.db2.gz YPKGYLGFTLWUKY-UHFFFAOYSA-N -1 1 302.280 3.620 20 0 DHADMM Cc1cc(-c2ncco2)ccc1NC(=O)c1ccc([O-])cc1F ZINC000577544807 341916879 /nfs/dbraw/zinc/91/68/79/341916879.db2.gz HEBJMQTVLUBZMS-UHFFFAOYSA-N -1 1 312.300 3.747 20 0 DHADMM CCc1noc(C)c1[N-]C(=O)c1cnc(-c2ccco2)s1 ZINC000178844703 341967409 /nfs/dbraw/zinc/96/74/09/341967409.db2.gz PSEXGVFVYBPAEM-UHFFFAOYSA-N -1 1 303.343 3.514 20 0 DHADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ncccc2F)cc1 ZINC000180257966 522430863 /nfs/dbraw/zinc/43/08/63/522430863.db2.gz OLRLCWGTQIRENF-LLVKDONJSA-N -1 1 308.378 3.535 20 0 DHADMM Cc1cc([C@@H]2CCN(C(=O)c3cc(F)ccc3[O-])C2)cs1 ZINC000364909074 525496413 /nfs/dbraw/zinc/49/64/13/525496413.db2.gz RZQAMZMXMNUURW-LLVKDONJSA-N -1 1 305.374 3.531 20 0 DHADMM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1ncccc1[O-] ZINC000129524428 526051417 /nfs/dbraw/zinc/05/14/17/526051417.db2.gz KRKZUIFYLVRQBY-NWDGAFQWSA-N -1 1 318.804 3.705 20 0 DHADMM O=c1nc(CN2CC[C@H](CC3CCCC3)C2)[n-]c2ccsc21 ZINC000364258851 526376978 /nfs/dbraw/zinc/37/69/78/526376978.db2.gz QVVAVAHMMUZCNA-CYBMUJFWSA-N -1 1 317.458 3.799 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N(CCC(F)(F)F)CC1CC1 ZINC000267702763 526679528 /nfs/dbraw/zinc/67/95/28/526679528.db2.gz HCWAVNAHYIGQKA-UHFFFAOYSA-N -1 1 321.726 3.850 20 0 DHADMM CC(C)(CNC(=O)c1c(F)ccc([O-])c1F)Cc1ccccc1 ZINC000289365759 535139206 /nfs/dbraw/zinc/13/92/06/535139206.db2.gz KVUOOTBZCAEYGP-UHFFFAOYSA-N -1 1 319.351 3.669 20 0 DHADMM CC(C)(Cc1nc(-c2ccc([O-])c(F)c2)no1)C(F)(F)F ZINC000289024274 535192757 /nfs/dbraw/zinc/19/27/57/535192757.db2.gz IWSBQEDMRNBPCO-UHFFFAOYSA-N -1 1 304.243 3.712 20 0 DHADMM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1cc(F)c(F)c(F)c1 ZINC000818052395 597244576 /nfs/dbraw/zinc/24/45/76/597244576.db2.gz HNYSMKPBIRFMMF-SECBINFHSA-N -1 1 309.287 3.653 20 0 DHADMM C[C@@H](Sc1cccc(F)c1-c1nn[n-]n1)c1cccs1 ZINC000736193340 599532020 /nfs/dbraw/zinc/53/20/20/599532020.db2.gz PHMULJHZUBZLLW-MRVPVSSYSA-N -1 1 306.391 3.921 20 0 DHADMM O=C([O-])c1ccoc1CN[C@H](c1ccc(F)cc1)C1CCC1 ZINC000740251545 599793893 /nfs/dbraw/zinc/79/38/93/599793893.db2.gz HECSJLVSWYGFKP-INIZCTEOSA-N -1 1 303.333 3.748 20 0 DHADMM C[C@H](CN(Cc1cc2ccccc2nc1Cl)C1CC1)C(=O)[O-] ZINC000736585108 599948801 /nfs/dbraw/zinc/94/88/01/599948801.db2.gz UAQCIROZMAHKEW-LLVKDONJSA-N -1 1 318.804 3.573 20 0 DHADMM Cc1oc(CN2CCCCC[C@H]2c2ccco2)cc1C(=O)[O-] ZINC000568991283 600262268 /nfs/dbraw/zinc/26/22/68/600262268.db2.gz QVNBMXJGGGOCQA-HNNXBMFYSA-N -1 1 303.358 3.997 20 0 DHADMM COc1ccccc1[C@H](C)N[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000738121469 600315142 /nfs/dbraw/zinc/31/51/42/600315142.db2.gz SARGIVBZZNDGKI-MEDUHNTESA-N -1 1 319.788 3.825 20 0 DHADMM O=C([O-])c1cccc(CN2CCSC[C@@H]2c2ccccc2)c1 ZINC000740220709 600630987 /nfs/dbraw/zinc/63/09/87/600630987.db2.gz HBORVSZGKGFGTJ-QGZVFWFLSA-N -1 1 313.422 3.675 20 0 DHADMM CCCOc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000426773122 600739089 /nfs/dbraw/zinc/73/90/89/600739089.db2.gz IHVUIXYYFDGFBX-QGZVFWFLSA-N -1 1 317.360 3.530 20 0 DHADMM C[C@H]1C[C@@H](c2ccccc2F)N(Cc2cc(C(=O)[O-])co2)C1 ZINC000580652989 600839990 /nfs/dbraw/zinc/83/99/90/600839990.db2.gz OOAJTFHNUYIBHG-ZBEGNZNMSA-N -1 1 303.333 3.700 20 0 DHADMM CCc1nc(C)c([C@H](C)N(C)Cc2ccsc2C(=O)[O-])s1 ZINC000830309366 601833840 /nfs/dbraw/zinc/83/38/40/601833840.db2.gz CRJAYIAFPVJIRO-JTQLQIEISA-N -1 1 324.471 3.967 20 0 DHADMM Cc1nc(C)c([C@H](C)N(C)Cc2ccc(C(=O)[O-])s2)s1 ZINC000571336342 601951216 /nfs/dbraw/zinc/95/12/16/601951216.db2.gz HCGBJLJRLMUQMO-VIFPVBQESA-N -1 1 310.444 3.713 20 0 DHADMM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1C[C@H]2CCC[C@H]21 ZINC000833171789 602050245 /nfs/dbraw/zinc/05/02/45/602050245.db2.gz PWBBTTUKOHZVKS-WQHBLYJGSA-N -1 1 300.185 3.603 20 0 DHADMM C[C@@H](NC(=O)[O-])c1ccc(NCc2[nH]nc3ccccc32)cc1 ZINC000825448664 603178378 /nfs/dbraw/zinc/17/83/78/603178378.db2.gz HAKUOWXFKQQJJD-LLVKDONJSA-N -1 1 310.357 3.504 20 0 DHADMM CN(Cc1c[nH]c(C(=O)[O-])c1)Cc1cc(Cl)cc(Cl)c1 ZINC000833694331 604582317 /nfs/dbraw/zinc/58/23/17/604582317.db2.gz FYWNNASFNFJHBE-UHFFFAOYSA-N -1 1 313.184 3.652 20 0 DHADMM CN(Cc1ccc(-c2ccccc2Cl)o1)C(C)(C)C(=O)[O-] ZINC000833694229 604627747 /nfs/dbraw/zinc/62/77/47/604627747.db2.gz LJIYCJMCBNRJNE-UHFFFAOYSA-N -1 1 307.777 3.895 20 0 DHADMM C[C@@]1(C(=O)[O-])CCN(Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000263518841 604677587 /nfs/dbraw/zinc/67/75/87/604677587.db2.gz PXWHXUFOPZWUAE-CYBMUJFWSA-N -1 1 321.726 3.655 20 0 DHADMM C/C(=C\CN[C@H](C)c1cc(F)c(Cl)cc1Cl)C(=O)[O-] ZINC000833384489 605062206 /nfs/dbraw/zinc/06/22/06/605062206.db2.gz RJZOLFLPQPGXHZ-HOOMWESVSA-N -1 1 306.164 3.814 20 0 DHADMM C[C@H](c1ccccc1F)N(C)Cc1ccccc1CC(=O)[O-] ZINC000316760603 605063609 /nfs/dbraw/zinc/06/36/09/605063609.db2.gz VLOVZMNHOYIJKF-CYBMUJFWSA-N -1 1 301.361 3.646 20 0 DHADMM CCOc1ccc([C@@H](C)N[C@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC000833663861 605067029 /nfs/dbraw/zinc/06/70/29/605067029.db2.gz NKSVKJRZUZCFAU-VXGBXAGGSA-N -1 1 303.358 3.788 20 0 DHADMM CCc1ccc(C(C)(C)NCc2cc(C)c(C(=O)[O-])o2)cc1 ZINC000833670952 605146357 /nfs/dbraw/zinc/14/63/57/605146357.db2.gz PXIGYRHHCBPTPI-UHFFFAOYSA-N -1 1 301.386 3.874 20 0 DHADMM CC(C)COc1ccc([C@@H](C)NCc2occc2C(=O)[O-])cc1 ZINC000833490581 605173326 /nfs/dbraw/zinc/17/33/26/605173326.db2.gz IRIKOHOGRHUGPD-CYBMUJFWSA-N -1 1 317.385 3.863 20 0 DHADMM CC(C)(C(=O)[O-])[C@H](NC/C(Cl)=C/Cl)c1ccccc1 ZINC000833413451 605177684 /nfs/dbraw/zinc/17/76/84/605177684.db2.gz NBOMBBDJTCRZRY-NXIHDVOMSA-N -1 1 302.201 3.747 20 0 DHADMM CC(C)(C(=O)[O-])[C@H](NCc1ccncc1Cl)c1ccccc1 ZINC000833413636 605182946 /nfs/dbraw/zinc/18/29/46/605182946.db2.gz JHQWDVXTALKWDP-OAHLLOKOSA-N -1 1 318.804 3.677 20 0 DHADMM C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc(C(=O)[O-])s1 ZINC000833604330 605703331 /nfs/dbraw/zinc/70/33/31/605703331.db2.gz DTQREEDUCPQUCP-BDAKNGLRSA-N -1 1 307.337 3.609 20 0 DHADMM O=C([O-])N[C@@H]1C[C@@H](NCc2ccc(F)cc2F)c2ccccc21 ZINC000834156518 605797323 /nfs/dbraw/zinc/79/73/23/605797323.db2.gz BGEVELVYSTYSTL-HZPDHXFCSA-N -1 1 318.323 3.508 20 0 DHADMM CC[C@@H](NCc1cc(C(=O)[O-])ccc1F)c1ccccc1OC ZINC000833645935 605843711 /nfs/dbraw/zinc/84/37/11/605843711.db2.gz ZVZYKAFFQVHGOH-MRXNPFEDSA-N -1 1 317.360 3.773 20 0 DHADMM CCC[C@H](C)C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000825233173 607930204 /nfs/dbraw/zinc/93/02/04/607930204.db2.gz NVIGPMPNMRWFIN-VIFPVBQESA-N -1 1 321.450 3.600 20 0 DHADMM CCC[C@H](C)C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000825233173 607930205 /nfs/dbraw/zinc/93/02/05/607930205.db2.gz NVIGPMPNMRWFIN-VIFPVBQESA-N -1 1 321.450 3.600 20 0 DHADMM Clc1nsc(SCC2CCCCC2)c1-c1nnn[n-]1 ZINC000826354803 608181793 /nfs/dbraw/zinc/18/17/93/608181793.db2.gz VQIMIPNQCVUGPM-UHFFFAOYSA-N -1 1 315.855 3.649 20 0 DHADMM Clc1nsc(SCC2CCCCC2)c1-c1nn[n-]n1 ZINC000826354803 608181795 /nfs/dbraw/zinc/18/17/95/608181795.db2.gz VQIMIPNQCVUGPM-UHFFFAOYSA-N -1 1 315.855 3.649 20 0 DHADMM CCOc1cc(C(=O)NC23CCC(CC2)CC3)cc(Cl)c1[O-] ZINC000517698497 1013048617 /nfs/dbraw/zinc/04/86/17/1013048617.db2.gz GYISGCJZIISGSV-UHFFFAOYSA-N -1 1 323.820 3.897 20 0 DHADMM C[C@H](C(=O)[O-])N(Cc1ccc(F)c(Cl)c1Cl)C1CC1 ZINC001602821904 971631520 /nfs/dbraw/zinc/63/15/20/971631520.db2.gz VJUGRCWPAAJZAQ-SSDOTTSWSA-N -1 1 306.164 3.570 20 0 DHADMM O=C([O-])C[C@H]1CCCN(Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000389547021 951351912 /nfs/dbraw/zinc/35/19/12/951351912.db2.gz OCQGHKRXHPHMHE-SNVBAGLBSA-N -1 1 319.298 3.531 20 0 DHADMM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccc(F)c(Cl)c1Cl ZINC000650795126 954031588 /nfs/dbraw/zinc/03/15/88/954031588.db2.gz PHYUCXCHWMRPJX-GMSGAONNSA-N -1 1 306.164 3.570 20 0 DHADMM O=C([O-])CC[C@@H]1CCCCN1Cc1cc(C(F)(F)F)co1 ZINC000872161197 956055401 /nfs/dbraw/zinc/05/54/01/956055401.db2.gz UOJSHQZHEMUDDP-NSHDSACASA-N -1 1 305.296 3.518 20 0 DHADMM C[C@H]1[C@@H](C(F)(F)F)CCCN1Cc1ccc(C(=O)[O-])s1 ZINC000903683512 956864243 /nfs/dbraw/zinc/86/42/43/956864243.db2.gz QSWGCBMGAPMCST-WPRPVWTQSA-N -1 1 307.337 3.609 20 0 DHADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000016149025 1013164240 /nfs/dbraw/zinc/16/42/40/1013164240.db2.gz XOMDAWGIPQQTMS-UHFFFAOYSA-N -1 1 323.801 3.652 20 0 DHADMM O=C([O-])[C@H]1CN(Cc2cccc(C(F)F)c2)Cc2ccccc21 ZINC000391198583 972323279 /nfs/dbraw/zinc/32/32/79/972323279.db2.gz OMUSLLQXNYGVIZ-INIZCTEOSA-N -1 1 317.335 3.808 20 0 DHADMM Cc1ccc2sc(CN3CCC(CCC(=O)[O-])CC3)nc2c1 ZINC001594385989 958668447 /nfs/dbraw/zinc/66/84/47/958668447.db2.gz OAWMQBIHHDDWGF-UHFFFAOYSA-N -1 1 318.442 3.682 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000340328790 1013497930 /nfs/dbraw/zinc/49/79/30/1013497930.db2.gz NCLPSYMVYQPFKI-JQWIXIFHSA-N -1 1 307.271 3.552 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1ccccc1Br ZINC000340329557 1013498472 /nfs/dbraw/zinc/49/84/72/1013498472.db2.gz WXGVFQFQIKKJRA-UHFFFAOYSA-N -1 1 310.122 3.546 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(OC2CCC2)cc1 ZINC000340332652 1013499356 /nfs/dbraw/zinc/49/93/56/1013499356.db2.gz XCIFJKLATVCOOQ-UHFFFAOYSA-N -1 1 301.317 3.715 20 0 DHADMM CCC(CC)(OC)c1noc(-c2cc(SC)ccc2[O-])n1 ZINC000664887941 1013557151 /nfs/dbraw/zinc/55/71/51/1013557151.db2.gz JVFPWFPFJGZYRQ-UHFFFAOYSA-N -1 1 308.403 3.826 20 0 DHADMM CC1CCC(=CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CC1 ZINC000843766597 1013743073 /nfs/dbraw/zinc/74/30/73/1013743073.db2.gz OZKBTNHUQBPLTF-UHFFFAOYSA-N -1 1 311.385 3.857 20 0 DHADMM [O-]c1cccc(CN[C@@H](C[C@@H]2CCCO2)C(F)(F)F)c1Cl ZINC000655854460 1013784536 /nfs/dbraw/zinc/78/45/36/1013784536.db2.gz VTIWZZUPLUHBBT-JQWIXIFHSA-N -1 1 323.742 3.635 20 0 DHADMM CC[C@]1(C(=O)[O-])CCCN([C@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000923470683 969651694 /nfs/dbraw/zinc/65/16/94/969651694.db2.gz OPVMABXLVQUKSK-PXAZEXFGSA-N -1 1 308.422 3.610 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3coc4ccccc34)n2)cc1F ZINC000580126930 1014040223 /nfs/dbraw/zinc/04/02/23/1014040223.db2.gz VVNNUBHXRBLFML-UHFFFAOYSA-N -1 1 310.284 3.918 20 0 DHADMM CN(Cc1cc2ccccc2[nH]1)Cc1ccc(C(=O)[O-])s1 ZINC001604187350 972614096 /nfs/dbraw/zinc/61/40/96/972614096.db2.gz NJAYVXQGSBJPBA-UHFFFAOYSA-N -1 1 300.383 3.560 20 0 DHADMM Cc1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)c(Cl)c1 ZINC001605277790 973071432 /nfs/dbraw/zinc/07/14/32/973071432.db2.gz QEKFGQILAPEFTI-OAHLLOKOSA-N -1 1 307.752 3.703 20 0 DHADMM Cc1ccc(OCCC(=O)Nc2c([O-])cccc2F)cc1C ZINC000089541485 1014102627 /nfs/dbraw/zinc/10/26/27/1014102627.db2.gz FVVICIGPDGDSHN-UHFFFAOYSA-N -1 1 303.333 3.556 20 0 DHADMM CCCc1nc(C)c(CSc2nc(CC)c(C)c(=O)[n-]2)o1 ZINC000580451622 1014138075 /nfs/dbraw/zinc/13/80/75/1014138075.db2.gz JOQNKHHHVZPHTH-UHFFFAOYSA-N -1 1 307.419 3.594 20 0 DHADMM FC(F)(F)[C@@H](C[C@@H]1CCCO1)[N-]c1nc2ccccc2o1 ZINC000656224241 1014149302 /nfs/dbraw/zinc/14/93/02/1014149302.db2.gz FDOUPNGMPGGMHS-JOYOIKCWSA-N -1 1 300.280 3.740 20 0 DHADMM O=C([O-])c1occc1CN1CCC[C@H]1c1ccccc1Cl ZINC000519823990 974336251 /nfs/dbraw/zinc/33/62/51/974336251.db2.gz GGFUDXDIGREEQF-AWEZNQCLSA-N -1 1 305.761 3.968 20 0 DHADMM O=C([O-])c1ccc(CN2CCC[C@@H]2c2cccc(Cl)c2)o1 ZINC000571691539 974734466 /nfs/dbraw/zinc/73/44/66/974734466.db2.gz AVHUBUSTWGIIAM-CQSZACIVSA-N -1 1 305.761 3.968 20 0 DHADMM C[C@H](CN(Cc1nc2ccccc2o1)Cc1ccccc1)C(=O)[O-] ZINC000578660589 974860466 /nfs/dbraw/zinc/86/04/66/974860466.db2.gz NOIYWAZHLRIUFC-CQSZACIVSA-N -1 1 324.380 3.551 20 0 DHADMM Cc1oc(CN(C)CCSc2ccccc2F)cc1C(=O)[O-] ZINC000580838484 974900784 /nfs/dbraw/zinc/90/07/84/974900784.db2.gz KTPGGNUXBLLQHW-UHFFFAOYSA-N -1 1 323.389 3.649 20 0 DHADMM O=C([O-])[C@@H](c1c(F)cccc1Cl)N1CCCC(F)(F)CC1 ZINC000629367980 975085326 /nfs/dbraw/zinc/08/53/26/975085326.db2.gz GOECUKMZUSONPP-GFCCVEGCSA-N -1 1 321.726 3.726 20 0 DHADMM O=C([O-])C[C@H]1CCCCN1Cc1csc(-c2cccs2)n1 ZINC000650506628 975449562 /nfs/dbraw/zinc/44/95/62/975449562.db2.gz SWKFBXWQCQUJAA-GFCCVEGCSA-N -1 1 322.455 3.701 20 0 DHADMM O=C(Nc1ccc(C(F)(F)F)c(F)c1)c1ccc([O-])cc1F ZINC001167427665 1014263064 /nfs/dbraw/zinc/26/30/64/1014263064.db2.gz VQBOGDXJCJITEE-UHFFFAOYSA-N -1 1 317.213 3.942 20 0 DHADMM CCCCc1nc(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)cs1 ZINC000652499809 975561010 /nfs/dbraw/zinc/56/10/10/975561010.db2.gz NBTCXTNOYRINLS-ZDUSSCGKSA-N -1 1 324.490 3.809 20 0 DHADMM O=C([O-])CN(CCc1ccccc1)Cc1ccc(Cl)s1 ZINC000653358863 975592610 /nfs/dbraw/zinc/59/26/10/975592610.db2.gz KDNZJWXWZASKER-UHFFFAOYSA-N -1 1 309.818 3.531 20 0 DHADMM CC(C)c1[nH]c(CN[C@@H](C)c2ccc(F)cc2F)cc1C(=O)[O-] ZINC001591917769 976378350 /nfs/dbraw/zinc/37/83/50/976378350.db2.gz BPWQNNVTBINFAH-JTQLQIEISA-N -1 1 322.355 3.965 20 0 DHADMM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(Br)o1 ZINC000153427486 1014469582 /nfs/dbraw/zinc/46/95/82/1014469582.db2.gz QBXOZLRKDAXRRU-UHFFFAOYSA-N -1 1 316.538 3.653 20 0 DHADMM O=C(c1ncccc1[O-])N1CCC[C@H](CCCc2ccccc2)C1 ZINC000427640183 1014476463 /nfs/dbraw/zinc/47/64/63/1014476463.db2.gz VOSLMVBIJMONLF-KRWDZBQOSA-N -1 1 324.424 3.662 20 0 DHADMM C[C@H](c1ncc(C(=O)[O-])s1)N(C)C[C@@H](C)c1ccccc1 ZINC001592579597 978489466 /nfs/dbraw/zinc/48/94/66/978489466.db2.gz VIRGMJNBKADOPR-VXGBXAGGSA-N -1 1 304.415 3.638 20 0 DHADMM Cc1cnc(C(=O)N2CCCC[C@H]2CCc2ccccc2)c([O-])c1 ZINC000427665633 1014509324 /nfs/dbraw/zinc/50/93/24/1014509324.db2.gz XZMJSMYGBQIIST-KRWDZBQOSA-N -1 1 324.424 3.723 20 0 DHADMM Cc1cnc(C(=O)N2CCCC[C@@H]2CCc2ccccc2)c([O-])c1 ZINC000427665636 1014510578 /nfs/dbraw/zinc/51/05/78/1014510578.db2.gz XZMJSMYGBQIIST-QGZVFWFLSA-N -1 1 324.424 3.723 20 0 DHADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc(Cl)cc(Cl)c1 ZINC000263498833 1014555881 /nfs/dbraw/zinc/55/58/81/1014555881.db2.gz KHXKLEDHRKSJOZ-GXSJLCMTSA-N -1 1 302.201 3.679 20 0 DHADMM CCN(c1ccc(NC2CCC(C(=O)[O-])CC2)cc1)C(C)C ZINC000840994478 979292697 /nfs/dbraw/zinc/29/26/97/979292697.db2.gz MJRSUPFZWBTWIN-UHFFFAOYSA-N -1 1 304.434 3.977 20 0 DHADMM CC[C@@H](N[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1c(C)noc1C ZINC001595276425 980299865 /nfs/dbraw/zinc/29/98/65/980299865.db2.gz HBPDVKFFDOEMSC-UKRRQHHQSA-N -1 1 322.792 3.811 20 0 DHADMM CC[C@@H](N[C@H](C)c1cc(C(=O)[O-])co1)c1ccc(OC)cc1 ZINC001595278772 980313551 /nfs/dbraw/zinc/31/35/51/980313551.db2.gz IPHMSDQHDYGRQB-IAQYHMDHSA-N -1 1 303.358 3.788 20 0 DHADMM CC(C)CN(CC(=O)[O-])Cc1ccc(-c2ccc(F)cc2)o1 ZINC000901589629 980396182 /nfs/dbraw/zinc/39/61/82/980396182.db2.gz BUVHUDIKJILVBM-UHFFFAOYSA-N -1 1 305.349 3.628 20 0 DHADMM CC[C@@H](NCc1cc(C(=O)[O-])c(C)n1C)c1cc(F)ccc1F ZINC001595298228 980414275 /nfs/dbraw/zinc/41/42/75/980414275.db2.gz DEHYMXCKRZQMJE-MRXNPFEDSA-N -1 1 322.355 3.551 20 0 DHADMM CC[C@](NCc1c(F)ccc(C)c1F)(C(=O)[O-])c1ccccc1 ZINC001595299012 980423290 /nfs/dbraw/zinc/42/32/90/980423290.db2.gz ZKLOZHQJAHSSLN-GOSISDBHSA-N -1 1 319.351 3.753 20 0 DHADMM CCc1cccc2cc(CN[C@H](C[C@@H](C)CC)C(=O)[O-])oc21 ZINC000901674024 980437320 /nfs/dbraw/zinc/43/73/20/980437320.db2.gz JTWVZZJBAMPPHB-BLLLJJGKSA-N -1 1 303.402 3.974 20 0 DHADMM CC[C@H](NCc1ccsc1C(=O)[O-])c1ccc(F)cc1F ZINC001595305345 980445589 /nfs/dbraw/zinc/44/55/89/980445589.db2.gz ORCIWSARSDVODJ-ZDUSSCGKSA-N -1 1 311.353 3.965 20 0 DHADMM C[C@H]1CCN(Cc2ccc(F)c(C(F)(F)F)c2)[C@H](C(=O)[O-])C1 ZINC000902018461 980695028 /nfs/dbraw/zinc/69/50/28/980695028.db2.gz UWLOTFWKCKQUBD-ZANVPECISA-N -1 1 319.298 3.530 20 0 DHADMM COc1ccc([C@@H](NCc2cc(C)c(C(=O)[O-])o2)C2CC2)cc1 ZINC000902130580 980750202 /nfs/dbraw/zinc/75/02/02/980750202.db2.gz QHARZNKEXXSCRZ-INIZCTEOSA-N -1 1 315.369 3.536 20 0 DHADMM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCc1cc(C)c(C(=O)[O-])o1 ZINC000902133187 980751596 /nfs/dbraw/zinc/75/15/96/980751596.db2.gz UOHUDHMOULBCQG-AWEZNQCLSA-N -1 1 317.385 3.991 20 0 DHADMM CCOc1cccc([C@@H](C)NCc2cc(C)c(C(=O)[O-])o2)c1 ZINC000902164754 980763887 /nfs/dbraw/zinc/76/38/87/980763887.db2.gz MPYXFJFFQACFCE-GFCCVEGCSA-N -1 1 303.358 3.536 20 0 DHADMM CCOc1cccc([C@@H](C)NCc2ccc(/C=C\C(=O)[O-])o2)c1 ZINC000902166350 980764294 /nfs/dbraw/zinc/76/42/94/980764294.db2.gz VKFJJDHHPFVPSD-ASCRHOAZSA-N -1 1 315.369 3.627 20 0 DHADMM Cc1nc(C(C)(C)NCc2cc(C(=O)[O-])cs2)sc1C ZINC000902284244 980817181 /nfs/dbraw/zinc/81/71/81/980817181.db2.gz VAAVIXAXBCCJHY-UHFFFAOYSA-N -1 1 310.444 3.545 20 0 DHADMM Cc1nn(C(C)(C)C)cc1[C@H](C)NCc1csc(C(=O)[O-])c1 ZINC000902302655 980824160 /nfs/dbraw/zinc/82/41/60/980824160.db2.gz BCUSDKMBYNHCRW-JTQLQIEISA-N -1 1 321.446 3.557 20 0 DHADMM CC[C@](C)(NCc1cc(C)c(C(=O)[O-])o1)c1ccc(F)cc1 ZINC000902337432 980838234 /nfs/dbraw/zinc/83/82/34/980838234.db2.gz UZFYSDRIGIAIHW-KRWDZBQOSA-N -1 1 305.349 3.840 20 0 DHADMM Cc1oc(CN[C@H](c2ccccc2F)C(C)C)cc1C(=O)[O-] ZINC000902378843 980861982 /nfs/dbraw/zinc/86/19/82/980861982.db2.gz AMXCMZWWGZEHLX-INIZCTEOSA-N -1 1 305.349 3.912 20 0 DHADMM Cc1cc([C@H](NCc2cc(C(=O)[O-])co2)C2CC2)ccc1F ZINC000902380296 980863616 /nfs/dbraw/zinc/86/36/16/980863616.db2.gz JSFOJNHUWOSNDE-MRXNPFEDSA-N -1 1 303.333 3.666 20 0 DHADMM CSCc1cc(F)ccc1CNCc1cc(C)c(C(=O)[O-])o1 ZINC000902387041 980865953 /nfs/dbraw/zinc/86/59/53/980865953.db2.gz KZVFYIAFJANGQJ-UHFFFAOYSA-N -1 1 323.389 3.578 20 0 DHADMM Cc1ccccc1[C@@]1(F)CCN(Cc2cc(C(=O)[O-])cs2)C1 ZINC000902453573 980894993 /nfs/dbraw/zinc/89/49/93/980894993.db2.gz SFHBRVDMNYBRNB-QGZVFWFLSA-N -1 1 319.401 3.825 20 0 DHADMM CC[C@@H](c1ccccc1OC)N(C)Cc1ccoc1C(=O)[O-] ZINC000902543948 980927566 /nfs/dbraw/zinc/92/75/66/980927566.db2.gz WZLILJWVROMMGX-AWEZNQCLSA-N -1 1 303.358 3.570 20 0 DHADMM CC[C@@H]1c2ccsc2CCN1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001595503914 981277606 /nfs/dbraw/zinc/27/76/06/981277606.db2.gz HHIGATRVGJYITG-IYKSTZQJSA-N -1 1 317.410 3.948 20 0 DHADMM O=S(=O)([N-]c1ccc2cc[nH]c2c1)c1ccc(C(F)F)cc1 ZINC000340975248 1014726928 /nfs/dbraw/zinc/72/69/28/1014726928.db2.gz SQFAKVIMLAAYCW-UHFFFAOYSA-N -1 1 322.336 3.906 20 0 DHADMM CCC[C@@H](CC(C)C)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001595586180 981529866 /nfs/dbraw/zinc/52/98/66/981529866.db2.gz RBJFQLMQZXDLEZ-NSHDSACASA-N -1 1 317.389 3.662 20 0 DHADMM COc1cc(C(=O)NC[C@H]2CCCC[C@H]2C)cc(Cl)c1[O-] ZINC000442952794 1014774518 /nfs/dbraw/zinc/77/45/18/1014774518.db2.gz UHTPJJZTNMDJJM-GHMZBOCLSA-N -1 1 311.809 3.610 20 0 DHADMM C[C@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccsc1 ZINC000521687904 1014775247 /nfs/dbraw/zinc/77/52/47/1014775247.db2.gz UEJNQMDGUNVLJN-JTQLQIEISA-N -1 1 313.382 3.586 20 0 DHADMM COc1cc(C(=O)N[C@H](C)CCC(C)(C)C)cc(Cl)c1[O-] ZINC000442965001 1014780518 /nfs/dbraw/zinc/78/05/18/1014780518.db2.gz JBBBOKUHPHHEQX-SNVBAGLBSA-N -1 1 313.825 3.999 20 0 DHADMM CC[C@@](C)(NCc1ccc(C(=O)[O-])c(C)c1)c1nccs1 ZINC001594852185 982092717 /nfs/dbraw/zinc/09/27/17/982092717.db2.gz FSAPCIIIYTWYRI-MRXNPFEDSA-N -1 1 304.415 3.565 20 0 DHADMM CCCCN(Cc1cc(C)c(C(=O)[O-])[nH]1)Cc1ccccc1F ZINC001595749311 982422651 /nfs/dbraw/zinc/42/26/51/982422651.db2.gz WRHWGXHQRJDWPY-UHFFFAOYSA-N -1 1 318.392 3.963 20 0 DHADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000443402016 1014903042 /nfs/dbraw/zinc/90/30/42/1014903042.db2.gz WLRSCBQBQWLWJJ-UHFFFAOYSA-N -1 1 305.399 3.503 20 0 DHADMM CC[N@@H+](CCc1cccs1)[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001596351484 983809185 /nfs/dbraw/zinc/80/91/85/983809185.db2.gz DBYOIMCJQGEDAI-SNVBAGLBSA-N -1 1 310.444 3.528 20 0 DHADMM CCN(CCc1cccs1)[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001596351484 983809189 /nfs/dbraw/zinc/80/91/89/983809189.db2.gz DBYOIMCJQGEDAI-SNVBAGLBSA-N -1 1 310.444 3.528 20 0 DHADMM O=C(N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)c1ccc([O-])c(F)c1 ZINC000684351649 1015098101 /nfs/dbraw/zinc/09/81/01/1015098101.db2.gz NPXRMMHFICBSCK-SWLSCSKDSA-N -1 1 317.335 3.737 20 0 DHADMM Cc1cccc2c1CC[C@H]2NC(=O)c1c([O-])cccc1Cl ZINC000729541159 1015154245 /nfs/dbraw/zinc/15/42/45/1015154245.db2.gz WHEIWUHKWIIDRC-CQSZACIVSA-N -1 1 301.773 3.771 20 0 DHADMM Cc1[nH]c(CN[C@@H](C)c2oc3ccccc3c2C)cc1C(=O)[O-] ZINC001599962858 985826256 /nfs/dbraw/zinc/82/62/56/985826256.db2.gz FHTMPSFATLSFSJ-LBPRGKRZSA-N -1 1 312.369 3.927 20 0 DHADMM Cc1ccc(CSc2nc(C(F)F)cc(=O)[n-]2)c(Cl)n1 ZINC000840207023 1015178733 /nfs/dbraw/zinc/17/87/33/1015178733.db2.gz BBQIJLMJWBSGAS-UHFFFAOYSA-N -1 1 317.748 3.769 20 0 DHADMM CC(C)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000443719975 1015182980 /nfs/dbraw/zinc/18/29/80/1015182980.db2.gz COGDEZOMGGAUHR-ZETCQYMHSA-N -1 1 316.275 3.768 20 0 DHADMM CCOc1ccc(Cl)cc1CN[C@H](C(=O)[O-])c1ccccc1 ZINC001597105635 986739288 /nfs/dbraw/zinc/73/92/88/986739288.db2.gz GYUJDYHHKTYZGF-INIZCTEOSA-N -1 1 319.788 3.654 20 0 DHADMM CCOc1ccc(CNCc2ccc(C(=O)[O-])cc2F)c(C)c1 ZINC001597105821 986741792 /nfs/dbraw/zinc/74/17/92/986741792.db2.gz SYJMTRCXSKSCRV-UHFFFAOYSA-N -1 1 317.360 3.521 20 0 DHADMM C[C@H]([C@H](C)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)C(C)(C)C ZINC001589448448 986823950 /nfs/dbraw/zinc/82/39/50/986823950.db2.gz KPUMZTUTNHCYEL-VHSXEESVSA-N -1 1 317.389 3.518 20 0 DHADMM O=S(=O)([N-]c1cc(Cl)ccc1F)c1cc(F)ccc1F ZINC000008108726 1015307978 /nfs/dbraw/zinc/30/79/78/1015307978.db2.gz PNPMCESWJGMZNC-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM CCc1[nH]c(CN(C)Cc2cccc(C)c2C)cc1C(=O)[O-] ZINC001597380456 987573925 /nfs/dbraw/zinc/57/39/25/987573925.db2.gz LRFBNCPTVJYWJM-UHFFFAOYSA-N -1 1 300.402 3.524 20 0 DHADMM CCc1[nH]c(CN2CC[C@@H](C)C[C@H]2c2ccco2)cc1C(=O)[O-] ZINC001597384249 987586729 /nfs/dbraw/zinc/58/67/29/987586729.db2.gz ISJTWARUWNPWBE-WBMJQRKESA-N -1 1 316.401 3.842 20 0 DHADMM CCc1[nH]c(CN2CCC[C@H]2c2cccs2)cc1C(=O)[O-] ZINC001597386909 987609137 /nfs/dbraw/zinc/60/91/37/987609137.db2.gz QRBAIQCVVZOFSD-AWEZNQCLSA-N -1 1 304.415 3.674 20 0 DHADMM CCc1[nH]c(CN[C@H](C)c2cc3ccccc3o2)cc1C(=O)[O-] ZINC001597395021 987645326 /nfs/dbraw/zinc/64/53/26/987645326.db2.gz KTYSSAGFPCGMGL-LLVKDONJSA-N -1 1 312.369 3.872 20 0 DHADMM CC(C)(C)N(Cc1ccsc1)Cc1ccc(C(=O)[O-])cn1 ZINC001589796390 988195142 /nfs/dbraw/zinc/19/51/42/988195142.db2.gz RESDAVIRJQIUGR-UHFFFAOYSA-N -1 1 304.415 3.642 20 0 DHADMM CCc1ccc2c(c1)CN(Cc1ccc(C(=O)[O-])c(F)c1)CC2 ZINC001597569665 988337718 /nfs/dbraw/zinc/33/77/18/988337718.db2.gz YIBSFLLHCLXACG-UHFFFAOYSA-N -1 1 313.372 3.645 20 0 DHADMM CC[C@@](C)(NC(=O)Nc1ccc([O-])c(Cl)c1)C(F)(F)F ZINC000933520068 1015393859 /nfs/dbraw/zinc/39/38/59/1015393859.db2.gz VRTAYYIYVIMBGS-LLVKDONJSA-N -1 1 310.703 3.898 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN(Cc1ccccn1)CC(C)C ZINC001597761585 989189452 /nfs/dbraw/zinc/18/94/52/989189452.db2.gz KSZUSFGAUHYMPM-UHFFFAOYSA-N -1 1 316.401 3.593 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC001597762649 989198651 /nfs/dbraw/zinc/19/86/51/989198651.db2.gz IHCZVJAYVAPGNI-SWLSCSKDSA-N -1 1 314.385 3.518 20 0 DHADMM CCc1oc(CN2CC([C@H]3CCC[C@H](C)C3)C2)cc1C(=O)[O-] ZINC001597795456 989344538 /nfs/dbraw/zinc/34/45/38/989344538.db2.gz AYWNCHDRQBEPJS-STQMWFEESA-N -1 1 305.418 3.798 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCc2ccccc2CC1 ZINC000116071080 1015473230 /nfs/dbraw/zinc/47/32/30/1015473230.db2.gz ORSXSIRMWSNMQF-UHFFFAOYSA-N -1 1 317.388 3.786 20 0 DHADMM CCc1oc(CN[C@H](C)c2ccc(F)c(C)c2)cc1C(=O)[O-] ZINC001597804896 989408366 /nfs/dbraw/zinc/40/83/66/989408366.db2.gz OAVQNKMEHQFNHT-LLVKDONJSA-N -1 1 305.349 3.839 20 0 DHADMM CC(C)C[C@@H](NCc1nc(C(=O)[O-])cs1)c1cccs1 ZINC001591182889 991981325 /nfs/dbraw/zinc/98/13/25/991981325.db2.gz CHPOFMYTDNOXTL-SNVBAGLBSA-N -1 1 310.444 3.780 20 0 DHADMM CN(CCC1CCCCC1)Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001598472496 992049374 /nfs/dbraw/zinc/04/93/74/992049374.db2.gz SHFQHMLERCQMLX-UHFFFAOYSA-N -1 1 315.417 3.663 20 0 DHADMM CC(C)COc1cccc(CN[C@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001591402225 992483086 /nfs/dbraw/zinc/48/30/86/992483086.db2.gz VUEXYEWBYHNELV-CYBMUJFWSA-N -1 1 317.385 3.863 20 0 DHADMM CN(Cc1ccc(C(=O)[O-])[nH]1)Cc1ccc(C(C)(C)C)cc1 ZINC001598517004 992628034 /nfs/dbraw/zinc/62/80/34/992628034.db2.gz XTKRRLNROKNTFG-UHFFFAOYSA-N -1 1 300.402 3.642 20 0 DHADMM CN(Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)C1CC(C)(C)C1 ZINC001598534464 992835330 /nfs/dbraw/zinc/83/53/30/992835330.db2.gz ZAIFYOYJFYVCRZ-UHFFFAOYSA-N -1 1 314.385 3.660 20 0 DHADMM CCOc1cc(C(=O)N[C@H]2C[C@@]2(C)C(C)C)cc(Cl)c1[O-] ZINC000458162873 1015809191 /nfs/dbraw/zinc/80/91/91/1015809191.db2.gz YHVGBPVALJJMAJ-BBRMVZONSA-N -1 1 311.809 3.609 20 0 DHADMM C[C@H](N[C@H](C(=O)[O-])c1cccc(Cl)c1Cl)c1ccc[nH]1 ZINC001593195628 994149081 /nfs/dbraw/zinc/14/90/81/994149081.db2.gz SAEALCMTMADMED-SDBXPKJASA-N -1 1 313.184 3.798 20 0 DHADMM COc1ccc2nc(SC[C@H]3CCCC[C@H]3C(=O)[O-])[nH]c2c1 ZINC001599635016 994273740 /nfs/dbraw/zinc/27/37/40/994273740.db2.gz MCEJLERWPLAKKV-ZYHUDNBSSA-N -1 1 320.414 3.555 20 0 DHADMM C[C@@H](NCc1ccc(C2CC2)cc1F)c1cncc(C(=O)[O-])c1 ZINC001593295393 994690859 /nfs/dbraw/zinc/69/08/59/994690859.db2.gz DTAJXDBEBZDFMB-LLVKDONJSA-N -1 1 314.360 3.647 20 0 DHADMM C[C@H](c1nc(C(=O)[O-])co1)N1CC[C@H](C)C2(CCCCC2)C1 ZINC001593724775 996269428 /nfs/dbraw/zinc/26/94/28/996269428.db2.gz IXKIZEUAZNJPBA-QWHCGFSZSA-N -1 1 306.406 3.726 20 0 DHADMM CCc1cc(=O)[n-]c(SCCc2nsc3ccccc23)n1 ZINC000657256851 1016118981 /nfs/dbraw/zinc/11/89/81/1016118981.db2.gz LCOCXKCJXHNDNH-UHFFFAOYSA-N -1 1 317.439 3.689 20 0 DHADMM CCc1nc(S[C@H](CCOC)c2ccccc2)[n-]c(=O)c1C ZINC000657263821 1016136897 /nfs/dbraw/zinc/13/68/97/1016136897.db2.gz XDUASKBVBYOLSV-OAHLLOKOSA-N -1 1 318.442 3.923 20 0 DHADMM C[C@@H]1[C@@H](C(F)(F)F)CCCN1Cc1cc(C(=O)[O-])cs1 ZINC001594172060 998660684 /nfs/dbraw/zinc/66/06/84/998660684.db2.gz CFXRLCDBSPIQIL-KCJUWKMLSA-N -1 1 307.337 3.609 20 0 DHADMM C[C@@H]1C[C@@H](NCc2ccc(Cl)c(C(=O)[O-])n2)c2ccccc21 ZINC001594261610 999010583 /nfs/dbraw/zinc/01/05/83/999010583.db2.gz OCSMXQHQGUBDCQ-MEBBXXQBSA-N -1 1 316.788 3.771 20 0 DHADMM C[C@@H]1C[C@H]1c1ccc(CNCc2ccc(C(=O)[O-])c(F)c2)o1 ZINC001594280161 999087437 /nfs/dbraw/zinc/08/74/37/999087437.db2.gz RYJPGWYHFYCISU-QMTHXVAHSA-N -1 1 303.333 3.530 20 0 DHADMM Cc1ccsc1CCNC(=O)c1cc2ccccc2cc1[O-] ZINC000622482965 1016430635 /nfs/dbraw/zinc/43/06/35/1016430635.db2.gz ORZSMWWYEGFHNK-UHFFFAOYSA-N -1 1 311.406 3.888 20 0 DHADMM C[C@H](c1noc(-c2[n-]cnc2C(=O)c2ccccc2)n1)C(C)(C)C ZINC000346555695 1016455683 /nfs/dbraw/zinc/45/56/83/1016455683.db2.gz CXAXIEZIJFKYEW-LLVKDONJSA-N -1 1 324.384 3.840 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@H](c2cccnc2)C1 ZINC000622736109 1016543127 /nfs/dbraw/zinc/54/31/27/1016543127.db2.gz QMMUVCIRYMHGRJ-QGZVFWFLSA-N -1 1 318.376 3.570 20 0 DHADMM CCc1cc(=O)[n-]c(SC2CC(OCc3ccccc3)C2)n1 ZINC000563309576 1016618120 /nfs/dbraw/zinc/61/81/20/1016618120.db2.gz UONLGHKASYNFDG-UHFFFAOYSA-N -1 1 316.426 3.585 20 0 DHADMM C[C@@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)c1ccccc1 ZINC000684869676 1016743170 /nfs/dbraw/zinc/74/31/70/1016743170.db2.gz XFAZGAWQBJWIMX-SNVBAGLBSA-N -1 1 309.287 3.902 20 0 DHADMM Cc1ccccc1CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684870278 1016746659 /nfs/dbraw/zinc/74/66/59/1016746659.db2.gz XJLXYQPSGQLEOY-UHFFFAOYSA-N -1 1 309.287 3.649 20 0 DHADMM O=C(NCCCc1ccccc1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684869216 1016749075 /nfs/dbraw/zinc/74/90/75/1016749075.db2.gz PIOKPTOGJZXIIM-UHFFFAOYSA-N -1 1 323.314 3.774 20 0 DHADMM CC(C)(C)c1cnc(CSc2nc(C3CC3)cc(=O)[n-]2)o1 ZINC000277694418 1016927601 /nfs/dbraw/zinc/92/76/01/1016927601.db2.gz MAAPLCCDBLPFOW-UHFFFAOYSA-N -1 1 305.403 3.637 20 0 DHADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c1 ZINC000476424835 1032175819 /nfs/dbraw/zinc/17/58/19/1032175819.db2.gz SEOAHCSCZDDWNW-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM COc1ccc2cc(C(=O)Nc3c([O-])cccc3F)ccc2c1 ZINC001146492026 1032225652 /nfs/dbraw/zinc/22/56/52/1032225652.db2.gz JKECDPXTZJPFFD-UHFFFAOYSA-N -1 1 311.312 3.945 20 0 DHADMM CC(C)COc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000055637111 1032228601 /nfs/dbraw/zinc/22/86/01/1032228601.db2.gz BNLHPACEDPZMDH-UHFFFAOYSA-N -1 1 305.399 3.522 20 0 DHADMM CC(C)(C)[C@@H]([N-]C(=O)C(F)(F)c1ccccc1)C(F)(F)F ZINC000073133729 1017247471 /nfs/dbraw/zinc/24/74/71/1017247471.db2.gz FQTMXAYXRYIVCA-SNVBAGLBSA-N -1 1 309.278 3.872 20 0 DHADMM O=C(Nc1ccccc1CC(F)(F)F)c1ccc([O-])cc1F ZINC001147105081 1032280421 /nfs/dbraw/zinc/28/04/21/1032280421.db2.gz ZHSLARDYMPIZRA-UHFFFAOYSA-N -1 1 313.250 3.888 20 0 DHADMM CC[C@H](NC(=O)c1ccc(F)c([O-])c1)c1cc(F)ccc1F ZINC001147218976 1032292238 /nfs/dbraw/zinc/29/22/38/1032292238.db2.gz SGJGIVOLSYKUOT-AWEZNQCLSA-N -1 1 309.287 3.691 20 0 DHADMM CSc1cc(C)nc(SC)c1[N-]C(=O)c1ccc(C)cn1 ZINC001147439834 1032311564 /nfs/dbraw/zinc/31/15/64/1032311564.db2.gz GAKQDHRFWGKRSA-UHFFFAOYSA-N -1 1 319.455 3.790 20 0 DHADMM O=C(Cc1ccncc1)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001148252536 1032376984 /nfs/dbraw/zinc/37/69/84/1032376984.db2.gz LDDJWRAOFDBPSQ-UHFFFAOYSA-N -1 1 312.756 3.775 20 0 DHADMM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccccc1[O-] ZINC000120955771 1032406069 /nfs/dbraw/zinc/40/60/69/1032406069.db2.gz ZRLOXIHPPWMTHV-UHFFFAOYSA-N -1 1 312.369 3.547 20 0 DHADMM O=C(Nc1ccc2c(c1)CCO2)c1ccc(C(F)(F)F)cc1[O-] ZINC001148800183 1032446005 /nfs/dbraw/zinc/44/60/05/1032446005.db2.gz AEZSZSSRRQDNSN-UHFFFAOYSA-N -1 1 323.270 3.598 20 0 DHADMM CN(C(=O)c1cccc(-c2ccccc2)c1[O-])c1ccccc1N ZINC001148870323 1032448987 /nfs/dbraw/zinc/44/89/87/1032448987.db2.gz SQLBNJFUPJPZGA-UHFFFAOYSA-N -1 1 318.376 3.918 20 0 DHADMM CCc1nc(C)c(-c2nc(-c3ccc([O-])cc3Cl)no2)o1 ZINC000350565621 1017298931 /nfs/dbraw/zinc/29/89/31/1017298931.db2.gz LHHNEROBFPOJNF-UHFFFAOYSA-N -1 1 305.721 3.621 20 0 DHADMM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1c([O-])cccc1F ZINC001625777473 1011943257 /nfs/dbraw/zinc/94/32/57/1011943257.db2.gz QVLZSRWADUXBTD-ZDUSSCGKSA-N -1 1 317.360 3.876 20 0 DHADMM C[C@H]1CCCN(Cc2ccc(F)c(Cl)c2Cl)[C@@H]1C(=O)[O-] ZINC000424418473 1012016429 /nfs/dbraw/zinc/01/64/29/1012016429.db2.gz NNODYYDQNJZQLS-SDBXPKJASA-N -1 1 320.191 3.818 20 0 DHADMM CCOc1cc(C(=O)N[C@H](C)C2CCCC2)cc(Cl)c1[O-] ZINC000186812505 1012099678 /nfs/dbraw/zinc/09/96/78/1012099678.db2.gz VBGCXPFYWSOKHP-SNVBAGLBSA-N -1 1 311.809 3.753 20 0 DHADMM CCCCOc1ccccc1CNCc1cccc(C(=O)[O-])c1 ZINC000683176686 1012254246 /nfs/dbraw/zinc/25/42/46/1012254246.db2.gz OBIQCZBRTXRSPT-UHFFFAOYSA-N -1 1 313.397 3.854 20 0 DHADMM COc1ccc(-c2nc(-c3ccc(F)c(C)c3)no2)c([O-])c1 ZINC000109037531 1012406796 /nfs/dbraw/zinc/40/67/96/1012406796.db2.gz AMKDYCIWUWUAKB-UHFFFAOYSA-N -1 1 300.289 3.565 20 0 DHADMM COC(=O)c1c[n-]c(SCc2cc(Cl)cc(Cl)c2)n1 ZINC000514831422 1012461643 /nfs/dbraw/zinc/46/16/43/1012461643.db2.gz NCWPWLSPSYZDQL-UHFFFAOYSA-N -1 1 317.197 3.795 20 0 DHADMM CN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CC(C)(C)C1 ZINC000655340091 1012669001 /nfs/dbraw/zinc/66/90/01/1012669001.db2.gz VAXQYQGOWIECBM-UHFFFAOYSA-N -1 1 301.308 3.672 20 0 DHADMM CC(C)[C@@H](O)[C@@H]([N-]c1nc(C2CCC2)no1)c1ccccc1 ZINC000664533543 1012697976 /nfs/dbraw/zinc/69/79/76/1012697976.db2.gz UHFRQQLOJLVRMA-LSDHHAIUSA-N -1 1 301.390 3.507 20 0 DHADMM C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1cncc([O-])c1)C1CC1 ZINC000339815717 1012890087 /nfs/dbraw/zinc/89/00/87/1012890087.db2.gz ZPAASUKALNZRTL-NSHDSACASA-N -1 1 316.788 3.806 20 0 DHADMM Cc1ccc([C@H](NC(=O)c2cncc([O-])c2)c2ccccc2)cc1 ZINC000339884480 1012997756 /nfs/dbraw/zinc/99/77/56/1012997756.db2.gz QKPDIMPKLZGOQM-LJQANCHMSA-N -1 1 318.376 3.615 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H](CCF)C1 ZINC000618686595 1017169904 /nfs/dbraw/zinc/16/99/04/1017169904.db2.gz FGKUZOZQARCNAQ-CYBMUJFWSA-N -1 1 301.361 3.757 20 0 DHADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC[C@H]1C1CCCC1 ZINC001142018944 1017212238 /nfs/dbraw/zinc/21/22/38/1017212238.db2.gz CJOPBEILAHADPF-HNNXBMFYSA-N -1 1 307.821 3.769 20 0 DHADMM Cc1nc(C)c(CNC(=O)c2cc3ccccc3cc2[O-])s1 ZINC000075307509 1017300170 /nfs/dbraw/zinc/30/01/70/1017300170.db2.gz YCYMWDLSELRNBZ-UHFFFAOYSA-N -1 1 312.394 3.549 20 0 DHADMM COc1ccc(-c2nc(-c3cccc4cnccc43)no2)c([O-])c1 ZINC000350568524 1017301190 /nfs/dbraw/zinc/30/11/90/1017301190.db2.gz QCHCNSHNUNTINB-UHFFFAOYSA-N -1 1 319.320 3.666 20 0 DHADMM Cc1nc(C)c(-c2nc(-c3ccc([O-])cc3Cl)no2)s1 ZINC000350812601 1017337170 /nfs/dbraw/zinc/33/71/70/1017337170.db2.gz HCJOLJKWDQYHPY-UHFFFAOYSA-N -1 1 307.762 3.836 20 0 DHADMM CC(C)c1cc(C(=O)[N-]c2c(F)cc(Cl)cc2F)no1 ZINC000180358469 1017426691 /nfs/dbraw/zinc/42/66/91/1017426691.db2.gz OXYOIXDYSUYCDP-UHFFFAOYSA-N -1 1 300.692 3.982 20 0 DHADMM CCOc1cc(-c2noc(C(C)(C)F)n2)cc(Cl)c1[O-] ZINC000277854039 1017434564 /nfs/dbraw/zinc/43/45/64/1017434564.db2.gz GVZOVUHAQAUXKY-UHFFFAOYSA-N -1 1 300.717 3.699 20 0 DHADMM CCO[C@H](Cc1nc(-c2ccc([O-])cc2Cl)no1)C(C)C ZINC000445447385 1017866109 /nfs/dbraw/zinc/86/61/09/1017866109.db2.gz OPRUPUIERNSNQN-CYBMUJFWSA-N -1 1 310.781 3.699 20 0 DHADMM [O-]c1ccc(-c2noc(C/C=C/c3ccccc3F)n2)cc1F ZINC000445477575 1017872294 /nfs/dbraw/zinc/87/22/94/1017872294.db2.gz CYWGCASRGCPEAB-HWKANZROSA-N -1 1 314.291 3.976 20 0 DHADMM C[C@H](c1nc(-c2ccc([O-])c(F)c2)no1)c1cccc(F)c1 ZINC000445478317 1017875936 /nfs/dbraw/zinc/87/59/36/1017875936.db2.gz CKIRPWXZSRRVBB-VIFPVBQESA-N -1 1 302.280 3.872 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cc(F)c(F)c(F)c3)n2)cc1F ZINC000445478307 1017877140 /nfs/dbraw/zinc/87/71/40/1017877140.db2.gz GLCHHPFUFHPYJA-UHFFFAOYSA-N -1 1 310.206 3.666 20 0 DHADMM CC(C)(c1cccs1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445485576 1017878744 /nfs/dbraw/zinc/87/87/44/1017878744.db2.gz AJSCNZBPWPGEHI-UHFFFAOYSA-N -1 1 304.346 3.969 20 0 DHADMM CC(=O)[C@H](C)CCCCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445473386 1017883856 /nfs/dbraw/zinc/88/38/56/1017883856.db2.gz UPKDNMFQUKREGQ-SNVBAGLBSA-N -1 1 306.337 3.519 20 0 DHADMM COc1ccc([C@@H](C)CC(=O)Nc2c([O-])cccc2F)cc1 ZINC000674266259 1017930417 /nfs/dbraw/zinc/93/04/17/1017930417.db2.gz IEZZBGGYAAYOLZ-NSHDSACASA-N -1 1 303.333 3.672 20 0 DHADMM O=C(Nc1ccc(F)cc1OC(F)F)c1ccc([O-])c(F)c1 ZINC000681049553 1018422700 /nfs/dbraw/zinc/42/27/00/1018422700.db2.gz CUCZWTWQAQAYJK-UHFFFAOYSA-N -1 1 315.222 3.524 20 0 DHADMM C[C@@H](CC(C)(C)C)NC(=O)c1ccc(Br)c([O-])c1 ZINC000384560155 1018489427 /nfs/dbraw/zinc/48/94/27/1018489427.db2.gz RXVIKBMJTLFXNB-VIFPVBQESA-N -1 1 314.223 3.709 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(Cl)ncc1Cl ZINC000156584227 1018490103 /nfs/dbraw/zinc/49/01/03/1018490103.db2.gz PPMQKRTVQMQHLR-UHFFFAOYSA-N -1 1 317.559 4.000 20 0 DHADMM CCC(C)(C)[C@H](NCc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC000583500423 1018514476 /nfs/dbraw/zinc/51/44/76/1018514476.db2.gz WBTDNCWQFQTVSP-MRXNPFEDSA-N -1 1 301.386 3.926 20 0 DHADMM COc1ccc(Cl)c(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000565043817 1018516796 /nfs/dbraw/zinc/51/67/96/1018516796.db2.gz LBHAZIUCCWJFCU-ZDUSSCGKSA-N -1 1 311.809 3.568 20 0 DHADMM Cc1ccc(OCCCC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000676055404 1018650615 /nfs/dbraw/zinc/65/06/15/1018650615.db2.gz IJDSPTYNWOEKQQ-UHFFFAOYSA-N -1 1 303.333 3.637 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CCCCC[C@@H]1c1ccco1 ZINC000154909959 1018845456 /nfs/dbraw/zinc/84/54/56/1018845456.db2.gz HRBWGVYEKQNLBI-OAHLLOKOSA-N -1 1 303.333 3.882 20 0 DHADMM O=C(Nc1cc(F)c([O-])c(F)c1)NC12CC3CC(CC(C3)C1)C2 ZINC000169268643 1018976247 /nfs/dbraw/zinc/97/62/47/1018976247.db2.gz AJZABJVKDXPOQI-UHFFFAOYSA-N -1 1 322.355 3.761 20 0 DHADMM O=C(CCc1ccc(F)cc1F)Nc1ccc([O-])c(Cl)c1 ZINC000151752519 1019052077 /nfs/dbraw/zinc/05/20/77/1019052077.db2.gz IAFQKHXQUZMWCL-UHFFFAOYSA-N -1 1 311.715 3.895 20 0 DHADMM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc([O-])cc1F ZINC000387202775 1019059755 /nfs/dbraw/zinc/05/97/55/1019059755.db2.gz CRSMFLXMXVNVLB-CYBMUJFWSA-N -1 1 301.361 3.972 20 0 DHADMM Cc1nc(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])sc1C(C)(C)C ZINC000923251312 1019087650 /nfs/dbraw/zinc/08/76/50/1019087650.db2.gz YLKKHJVONQELDH-CYBMUJFWSA-N -1 1 324.490 3.968 20 0 DHADMM O=S(=O)([N-]c1c(O)cccc1F)c1csc2ccccc21 ZINC000671660143 1019118643 /nfs/dbraw/zinc/11/86/43/1019118643.db2.gz MSSIBUOTDRFIBB-UHFFFAOYSA-N -1 1 323.370 3.547 20 0 DHADMM CC1(C(=O)[O-])CCN(Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000318096086 1019315510 /nfs/dbraw/zinc/31/55/10/1019315510.db2.gz QFZLAGNAZXBHMW-UHFFFAOYSA-N -1 1 319.298 3.531 20 0 DHADMM Cc1ccc(-c2noc(-c3ncccc3[O-])n2)c2ccccc12 ZINC001212480844 1019417534 /nfs/dbraw/zinc/41/75/34/1019417534.db2.gz MADKRVAZDHYZJG-UHFFFAOYSA-N -1 1 303.321 3.966 20 0 DHADMM CSc1cc(F)c(-c2noc(-c3ncccc3[O-])n2)cc1F ZINC001212480664 1019417989 /nfs/dbraw/zinc/41/79/89/1019417989.db2.gz BKEXNCJFEZJREK-UHFFFAOYSA-N -1 1 321.308 3.504 20 0 DHADMM CCc1cccc(NC(=O)c2csc(=NC3CC3)[n-]2)c1CC ZINC000489507156 1019438191 /nfs/dbraw/zinc/43/81/91/1019438191.db2.gz BIOUGYWAFRBGIU-UHFFFAOYSA-N -1 1 315.442 3.516 20 0 DHADMM Nc1nc2ccccc2n1-c1c(Cl)cc(C(=O)[O-])cc1Cl ZINC001214509587 1019467626 /nfs/dbraw/zinc/46/76/26/1019467626.db2.gz XLVLDARBLOXLPK-UHFFFAOYSA-N -1 1 322.151 3.613 20 0 DHADMM CC(C)c1ncc(CNc2ccc(-n3ccc(=O)[n-]3)cc2)s1 ZINC000858304104 1032836026 /nfs/dbraw/zinc/83/60/26/1032836026.db2.gz GKQFQEJLVRAIOA-UHFFFAOYSA-N -1 1 314.414 3.770 20 0 DHADMM CSCc1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000066588292 1019579844 /nfs/dbraw/zinc/57/98/44/1019579844.db2.gz KVMCRWUSZIMZJV-UHFFFAOYSA-N -1 1 307.440 3.659 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H]1c1ccc(F)cc1 ZINC000093910787 1019593755 /nfs/dbraw/zinc/59/37/55/1019593755.db2.gz MHIJYCJQSHSBHW-HNNXBMFYSA-N -1 1 303.308 3.648 20 0 DHADMM COc1c(Cl)cc(NC(=O)c2ccccc2[O-])cc1Cl ZINC000144235309 1019674334 /nfs/dbraw/zinc/67/43/34/1019674334.db2.gz BQFGYRYXWVPVMV-UHFFFAOYSA-N -1 1 312.152 3.960 20 0 DHADMM CC[C@@H](Cc1ccccc1)NC(=O)c1c([O-])cccc1Cl ZINC000727860980 1019829815 /nfs/dbraw/zinc/82/98/15/1019829815.db2.gz LOSNTJMDKAMCCE-ZDUSSCGKSA-N -1 1 303.789 3.797 20 0 DHADMM COc1ccc(C(=O)Nc2cccc(COC(C)C)c2)c([O-])c1 ZINC000063816364 1019834339 /nfs/dbraw/zinc/83/43/39/1019834339.db2.gz GYXWHOHOXLNOLW-UHFFFAOYSA-N -1 1 315.369 3.578 20 0 DHADMM CC(C)(C)Oc1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000080028496 1019922422 /nfs/dbraw/zinc/92/24/22/1019922422.db2.gz DUUSQWMCNGPXNE-UHFFFAOYSA-N -1 1 303.333 3.961 20 0 DHADMM COc1ccc(CSc2nc(-c3ccccc3)cc(=O)[n-]2)cc1 ZINC000041628718 1019980676 /nfs/dbraw/zinc/98/06/76/1019980676.db2.gz RPZFSLOSFXXCDL-UHFFFAOYSA-N -1 1 324.405 3.738 20 0 DHADMM CC(C)CN(C(=O)c1c([O-])cnc2c(F)cccc21)C(C)C ZINC001626077950 1020016964 /nfs/dbraw/zinc/01/69/64/1020016964.db2.gz ZSDGFCMDJSLGQZ-UHFFFAOYSA-N -1 1 304.365 3.586 20 0 DHADMM O=C([O-])C[C@H]1CCCN(Cc2cccc(Cl)c2Cl)C1 ZINC000086757041 1020173825 /nfs/dbraw/zinc/17/38/25/1020173825.db2.gz QYLCQMAPYZDCQZ-SNVBAGLBSA-N -1 1 302.201 3.680 20 0 DHADMM O=S(=O)([N-]c1cccc2[nH]ccc21)c1ccc(F)c(Cl)c1 ZINC000624714144 1020397085 /nfs/dbraw/zinc/39/70/85/1020397085.db2.gz UOTJWMBHDGMMKG-UHFFFAOYSA-N -1 1 324.764 3.761 20 0 DHADMM Cc1ccsc1CNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001625882028 1020477358 /nfs/dbraw/zinc/47/73/58/1020477358.db2.gz ADTXWZWXVOMOEV-UHFFFAOYSA-N -1 1 315.316 3.711 20 0 DHADMM Cc1cccc2nc(-c3ccnc(OC(C)(C)C)c3)[n-]c(=O)c12 ZINC000505112189 1020498912 /nfs/dbraw/zinc/49/89/12/1020498912.db2.gz CKHFLSXDCGALCA-UHFFFAOYSA-N -1 1 309.369 3.883 20 0 DHADMM Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2ccc(C(=O)[O-])cn2)o1 ZINC000569856854 1020506987 /nfs/dbraw/zinc/50/69/87/1020506987.db2.gz KIDRUUFYOJHUBZ-BLLLJJGKSA-N -1 1 314.385 3.654 20 0 DHADMM CCCCc1ccc(-c2noc(-c3cc(C(C)=O)[n-]n3)n2)cc1 ZINC001212429773 1020508070 /nfs/dbraw/zinc/50/80/70/1020508070.db2.gz OXRMDAVGKVEPLV-UHFFFAOYSA-N -1 1 310.357 3.672 20 0 DHADMM CCCCc1ccc(-c2noc(-c3cc(C(C)=O)n[n-]3)n2)cc1 ZINC001212429773 1020508080 /nfs/dbraw/zinc/50/80/80/1020508080.db2.gz OXRMDAVGKVEPLV-UHFFFAOYSA-N -1 1 310.357 3.672 20 0 DHADMM Cc1cc(C)cc(CNC(=O)Cc2ccc([O-])c(Cl)c2)c1 ZINC001167688708 1020529804 /nfs/dbraw/zinc/52/98/04/1020529804.db2.gz DNTRFUVUBUVINP-UHFFFAOYSA-N -1 1 303.789 3.521 20 0 DHADMM CC(=O)Nc1ccc([O-])c(-c2nc(C3C(C)(C)C3(C)C)no2)c1 ZINC000624749131 1020534519 /nfs/dbraw/zinc/53/45/19/1020534519.db2.gz XQIZMDBCNNPTTP-UHFFFAOYSA-N -1 1 315.373 3.550 20 0 DHADMM O=C(c1ccc(O)cc1[O-])N1Cc2ccccc2-c2ccccc21 ZINC000612665834 1020663949 /nfs/dbraw/zinc/66/39/49/1020663949.db2.gz BFJGQSNWIRLFMR-UHFFFAOYSA-N -1 1 317.344 3.925 20 0 DHADMM [O-]c1ccc(-c2nccnc2C2SCCCS2)cc1F ZINC001240783737 1020745930 /nfs/dbraw/zinc/74/59/30/1020745930.db2.gz WSLSFENCYCECRK-UHFFFAOYSA-N -1 1 308.403 3.857 20 0 DHADMM O=S(=O)([N-]c1cccc(CC(F)(F)F)c1)c1ccccc1 ZINC000174759248 1020999224 /nfs/dbraw/zinc/99/92/24/1020999224.db2.gz MJRFWGHMFAQXNK-UHFFFAOYSA-N -1 1 315.316 3.592 20 0 DHADMM CC[C@H](C)CN(CC)C(=O)c1cc(Br)ccc1[O-] ZINC000175812535 1021079344 /nfs/dbraw/zinc/07/93/44/1021079344.db2.gz KGBYWNDCZURLDP-JTQLQIEISA-N -1 1 314.223 3.663 20 0 DHADMM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)c1c([O-])cccc1Cl ZINC000743643519 1021336501 /nfs/dbraw/zinc/33/65/01/1021336501.db2.gz YXXOLYLYQINGGB-YOEHRIQHSA-N -1 1 301.773 3.506 20 0 DHADMM Cc1cccc(O[C@H](C)CNC(=O)c2c([O-])cccc2Cl)c1 ZINC000743712099 1021353928 /nfs/dbraw/zinc/35/39/28/1021353928.db2.gz JWGVCQUKQWOBFY-GFCCVEGCSA-N -1 1 319.788 3.551 20 0 DHADMM O=c1cc(C(F)F)nc(SC[C@H]2C[C@@H]3[C@H](C2)C3(F)F)[n-]1 ZINC000917747972 1021355660 /nfs/dbraw/zinc/35/56/60/1021355660.db2.gz YZQHYUXQAGSXKK-KVSKUHBBSA-N -1 1 308.300 3.503 20 0 DHADMM Cc1ccc(CC[C@@H](C)NC(=O)c2c([O-])cccc2Cl)o1 ZINC000743719271 1021356849 /nfs/dbraw/zinc/35/68/49/1021356849.db2.gz XDCAZRXJIURYQG-SNVBAGLBSA-N -1 1 307.777 3.698 20 0 DHADMM Cc1cnc(SC[C@@H]2[C@@H](c3ccccc3)C2(F)F)[n-]c1=O ZINC000917777273 1021361036 /nfs/dbraw/zinc/36/10/36/1021361036.db2.gz BQPUSDZFJUZVNI-VXGBXAGGSA-N -1 1 308.353 3.632 20 0 DHADMM C[C@]1(CNC(=O)c2ccc3ccccc3c2[O-])CCCS1 ZINC000129476047 1021495087 /nfs/dbraw/zinc/49/50/87/1021495087.db2.gz QNUNRIAQBQHKMI-QGZVFWFLSA-N -1 1 301.411 3.561 20 0 DHADMM Cc1cccc(C)c1NCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129582089 1021514778 /nfs/dbraw/zinc/51/47/78/1021514778.db2.gz WBEQSIVVMQGSEP-UHFFFAOYSA-N -1 1 304.777 3.713 20 0 DHADMM Cc1nc(SCc2cnc(C3CC3)o2)[n-]c(=O)c1C1CC1 ZINC000918462948 1021526466 /nfs/dbraw/zinc/52/64/66/1021526466.db2.gz KYVZKUWJKJYCSY-UHFFFAOYSA-N -1 1 303.387 3.526 20 0 DHADMM Cc1nc(SCc2coc(C(C)(C)C)n2)[n-]c(=O)c1C1CC1 ZINC000918464018 1021527939 /nfs/dbraw/zinc/52/79/39/1021527939.db2.gz VUMKVYBSCQJOLT-UHFFFAOYSA-N -1 1 319.430 3.946 20 0 DHADMM Cc1cc(C)cc([C@@H]2CCN(C(=O)c3cc(F)ccc3[O-])C2)c1 ZINC000181955163 1021534862 /nfs/dbraw/zinc/53/48/62/1021534862.db2.gz LXYMRWGPNSQWNQ-CQSZACIVSA-N -1 1 313.372 3.778 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(C(F)(F)F)nc1 ZINC000070286536 1021596400 /nfs/dbraw/zinc/59/64/00/1021596400.db2.gz PSMUMWLUVXGWIG-UHFFFAOYSA-N -1 1 316.666 3.712 20 0 DHADMM Cc1[n-]n(-c2cc(C(F)(F)F)ccc2F)c(=O)c1C1CC1 ZINC000634615645 1021598606 /nfs/dbraw/zinc/59/86/06/1021598606.db2.gz NBYKKJKAVNPYHI-LBPRGKRZSA-N -1 1 300.255 3.593 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C2CCCCCC2)c1 ZINC000744923544 1021623602 /nfs/dbraw/zinc/62/36/02/1021623602.db2.gz DWMWRESAVDVARX-UHFFFAOYSA-N -1 1 304.386 3.651 20 0 DHADMM CC(C)(CCc1ccccc1)NC(=O)c1cccc([O-])c1F ZINC001143491817 1021653767 /nfs/dbraw/zinc/65/37/67/1021653767.db2.gz SLKUJUHCXDVCFT-UHFFFAOYSA-N -1 1 301.361 3.673 20 0 DHADMM C[C@@H](NC(=O)c1cncc([O-])c1)c1ccc(Cl)cc1Cl ZINC000111771406 1021668283 /nfs/dbraw/zinc/66/82/83/1021668283.db2.gz LIOIZPRPHRBKRC-MRVPVSSYSA-N -1 1 311.168 3.585 20 0 DHADMM CC(C)C[C@@H](C)n1nccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000644604721 1021777692 /nfs/dbraw/zinc/77/76/92/1021777692.db2.gz KYRNRQOKMKDXSV-LLVKDONJSA-N -1 1 305.353 3.587 20 0 DHADMM C[C@]1(C(=O)Nc2cc([O-])c(F)cc2F)CCCc2ccccc21 ZINC001625893344 1021975745 /nfs/dbraw/zinc/97/57/45/1021975745.db2.gz GYOPIQLLOKOYQR-SFHVURJKSA-N -1 1 317.335 3.903 20 0 DHADMM C[C@@H](C(=O)Nc1cc([O-])c(F)cc1F)c1c(F)cccc1F ZINC001625893480 1021982767 /nfs/dbraw/zinc/98/27/67/1021982767.db2.gz JTHVGCRAOSSBOC-SSDOTTSWSA-N -1 1 313.250 3.691 20 0 DHADMM C[C@H](C(=O)Nc1cc([O-])c(F)cc1F)c1c(F)cccc1F ZINC001625893482 1021983471 /nfs/dbraw/zinc/98/34/71/1021983471.db2.gz JTHVGCRAOSSBOC-ZETCQYMHSA-N -1 1 313.250 3.691 20 0 DHADMM COc1cccc([C@H](C)CC(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC001625893778 1021991928 /nfs/dbraw/zinc/99/19/28/1021991928.db2.gz MTOACHVLANDKFC-SNVBAGLBSA-N -1 1 321.323 3.811 20 0 DHADMM O=C(Nc1ccc(Cl)cc1[O-])c1occc1Br ZINC000153629485 1022230230 /nfs/dbraw/zinc/23/02/30/1022230230.db2.gz JNFDZJSXKNTXQF-UHFFFAOYSA-N -1 1 316.538 3.653 20 0 DHADMM COC(=O)c1c(C)cc(Nc2ccnc(Cl)c2[O-])cc1C ZINC001213123002 1022251783 /nfs/dbraw/zinc/25/17/83/1022251783.db2.gz OGLOHTWEOOCSGQ-UHFFFAOYSA-N -1 1 306.749 3.588 20 0 DHADMM O=C([N-]c1c(F)cc(F)cc1F)c1ccc(F)c(F)c1F ZINC000153904651 1022261122 /nfs/dbraw/zinc/26/11/22/1022261122.db2.gz KAXCVCRNPONLOX-UHFFFAOYSA-N -1 1 305.177 3.774 20 0 DHADMM CC[C@H]1c2ccsc2CCN1C(=O)c1ccc([O-])cc1F ZINC000154795252 1022334482 /nfs/dbraw/zinc/33/44/82/1022334482.db2.gz LCUPPMHMUUUHKZ-AWEZNQCLSA-N -1 1 305.374 3.742 20 0 DHADMM CO[C@@H]1CCC[C@H](CC(=O)Nc2cc(F)c([O-])cc2Cl)C1 ZINC000885678313 1022461437 /nfs/dbraw/zinc/46/14/37/1022461437.db2.gz MUHDKEHDCYWCEW-VHSXEESVSA-N -1 1 315.772 3.719 20 0 DHADMM CC(C)c1ccc([C@H](C)CC(=O)[N-]OCC(F)(F)F)cc1 ZINC000766762695 1022470711 /nfs/dbraw/zinc/47/07/11/1022470711.db2.gz OJVZWXKMKRQBIM-LLVKDONJSA-N -1 1 303.324 3.914 20 0 DHADMM Cc1ccc(-c2n[nH]c(NC(=O)c3cc(Cl)ccc3C)n2)o1 ZINC000157414013 1022548329 /nfs/dbraw/zinc/54/83/29/1022548329.db2.gz VCYSIIQERJMOEX-UHFFFAOYSA-N -1 1 316.748 3.587 20 0 DHADMM CN(CCc1ccccc1F)C(=O)c1cc2ccccc2cc1[O-] ZINC000068211137 1022556355 /nfs/dbraw/zinc/55/63/55/1022556355.db2.gz KJVOYCXUEUBNTD-UHFFFAOYSA-N -1 1 323.367 3.999 20 0 DHADMM CC1(C)C[C@]1(C(=O)Nc1ccc([O-])c(F)c1F)c1ccccc1 ZINC000616100087 1022637445 /nfs/dbraw/zinc/63/74/45/1022637445.db2.gz HDHZAHICAHMTTF-GOSISDBHSA-N -1 1 317.335 3.977 20 0 DHADMM C[C@@H]1CCC(C)(C)N1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000616165130 1022652732 /nfs/dbraw/zinc/65/27/32/1022652732.db2.gz NEUSACQUOKXYJU-SECBINFHSA-N -1 1 301.308 3.814 20 0 DHADMM O=C(Nc1ccc(F)cc1OC1CCCC1)c1cncc([O-])c1 ZINC000670810455 1022674075 /nfs/dbraw/zinc/67/40/75/1022674075.db2.gz CIWNYFCQFFOUIE-UHFFFAOYSA-N -1 1 316.332 3.500 20 0 DHADMM Cc1cc(NC(=O)c2ccc([O-])c(F)c2)ccc1N1CCCC1 ZINC000767289680 1022681874 /nfs/dbraw/zinc/68/18/74/1022681874.db2.gz CJMQAVGEDAKWNT-UHFFFAOYSA-N -1 1 314.360 3.692 20 0 DHADMM C[C@@H](Cc1ccccc1Cl)NC(=O)c1ccc([O-])c(F)c1 ZINC000767299799 1022684305 /nfs/dbraw/zinc/68/43/05/1022684305.db2.gz XUDRTYOMRHVJEL-JTQLQIEISA-N -1 1 307.752 3.546 20 0 DHADMM CCCc1nnc([N-]C(=O)c2c(F)ccc(F)c2Cl)s1 ZINC000621409164 1022745892 /nfs/dbraw/zinc/74/58/92/1022745892.db2.gz WPUUFVVPBUDPAG-UHFFFAOYSA-N -1 1 317.748 3.675 20 0 DHADMM CC(C)c1cnc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])s1 ZINC000417566232 1022790109 /nfs/dbraw/zinc/79/01/09/1022790109.db2.gz QPHHIAXVMZXJGO-WBMJQRKESA-N -1 1 318.442 3.818 20 0 DHADMM CCCc1csc(CN[C@H](CC(=O)[O-])c2ccccc2C)n1 ZINC000417578845 1022792084 /nfs/dbraw/zinc/79/20/84/1022792084.db2.gz ZZCDVLAZVWHAHW-OAHLLOKOSA-N -1 1 318.442 3.710 20 0 DHADMM CCCc1csc(CN[C@@H](CC(=O)[O-])c2ccccc2C)n1 ZINC000417578844 1022792927 /nfs/dbraw/zinc/79/29/27/1022792927.db2.gz ZZCDVLAZVWHAHW-HNNXBMFYSA-N -1 1 318.442 3.710 20 0 DHADMM CC(C)Oc1cc(F)ccc1[N-]c1nnc(-c2ccco2)o1 ZINC001212289660 1022836117 /nfs/dbraw/zinc/83/61/17/1022836117.db2.gz CBIVFPSOAYXARH-UHFFFAOYSA-N -1 1 303.293 4.000 20 0 DHADMM COc1ccccc1/C(C)=C\C(=O)Nc1ccc(F)cc1[O-] ZINC000768257595 1022933162 /nfs/dbraw/zinc/93/31/62/1022933162.db2.gz GKFUGJBIMLYOIX-LUAWRHEFSA-N -1 1 301.317 3.582 20 0 DHADMM Cc1nc(SCc2nc3ccccc3s2)[n-]c(=O)c1C ZINC000538516145 1033089114 /nfs/dbraw/zinc/08/91/14/1033089114.db2.gz KQSISUZZCJCLDK-UHFFFAOYSA-N -1 1 303.412 3.701 20 0 DHADMM CC(=O)c1cc(F)c([N-]C(=O)c2csc(Cl)n2)c(F)c1 ZINC001127618072 1022961523 /nfs/dbraw/zinc/96/15/23/1022961523.db2.gz SHCJPVFWWVJZCP-UHFFFAOYSA-N -1 1 316.716 3.530 20 0 DHADMM COc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC000622272986 1023091226 /nfs/dbraw/zinc/09/12/26/1023091226.db2.gz STBBFMAFXJYVCZ-UHFFFAOYSA-N -1 1 311.259 3.672 20 0 DHADMM O=C(c1ccc([O-])c(F)c1)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC000617920161 1023098065 /nfs/dbraw/zinc/09/80/65/1023098065.db2.gz ZVXHBBRCYWDISD-MRXNPFEDSA-N -1 1 315.344 3.882 20 0 DHADMM CC[C@H](NC(=O)c1c([O-])cccc1Cl)c1ccccc1OC ZINC000769685249 1023190916 /nfs/dbraw/zinc/19/09/16/1023190916.db2.gz BSAORNWZXXBLAC-ZDUSSCGKSA-N -1 1 319.788 3.935 20 0 DHADMM C[C@@H]1c2c(F)cccc2CCN1C(=O)c1c([O-])cccc1Cl ZINC000769901474 1023229481 /nfs/dbraw/zinc/22/94/81/1023229481.db2.gz YNQATKKNGPDMPH-SNVBAGLBSA-N -1 1 319.763 3.944 20 0 DHADMM Cc1c2cccc(Cl)c2oc1C(=O)Nc1ccncc1[O-] ZINC000109890109 1023251818 /nfs/dbraw/zinc/25/18/18/1023251818.db2.gz CCVFUZQJIXHREM-UHFFFAOYSA-N -1 1 302.717 3.748 20 0 DHADMM C[C@H](Cc1ccccc1Cl)NC(=O)c1c([O-])cccc1F ZINC000771912695 1023488178 /nfs/dbraw/zinc/48/81/78/1023488178.db2.gz SBWFSTFNSGCXKO-SNVBAGLBSA-N -1 1 307.752 3.546 20 0 DHADMM O=C([O-])CCN1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC000661791862 1023751052 /nfs/dbraw/zinc/75/10/52/1023751052.db2.gz PDGRJBLURPAGMR-MRXNPFEDSA-N -1 1 321.829 3.824 20 0 DHADMM C[C@@H]1CN(Cc2c(Cl)cccc2Cl)CC[C@H]1C(=O)[O-] ZINC000302477230 1023939673 /nfs/dbraw/zinc/93/96/73/1023939673.db2.gz GXYCCUBXOWNDLE-NXEZZACHSA-N -1 1 302.201 3.536 20 0 DHADMM CCOc1c(F)cccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129637421 1024030916 /nfs/dbraw/zinc/03/09/16/1024030916.db2.gz RJXFVHBGGPSUOL-UHFFFAOYSA-N -1 1 309.724 3.836 20 0 DHADMM Cc1cccc2cc(C(=O)Nc3nc(Cl)ccc3[O-])oc21 ZINC000790050496 1024212553 /nfs/dbraw/zinc/21/25/53/1024212553.db2.gz CGAPUGYMGJMJCA-UHFFFAOYSA-N -1 1 302.717 3.748 20 0 DHADMM Cc1ccsc1CCCC(=O)Nc1nc(Cl)ccc1[O-] ZINC000790048045 1024214174 /nfs/dbraw/zinc/21/41/74/1024214174.db2.gz PMWOOMOSVPDFRG-UHFFFAOYSA-N -1 1 310.806 3.772 20 0 DHADMM Cc1cc(C=O)c([O-])c(C(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)c1 ZINC001137188187 1024406899 /nfs/dbraw/zinc/40/68/99/1024406899.db2.gz REGUINLDHFJJGM-WMLDXEAASA-N -1 1 323.392 3.531 20 0 DHADMM O=C(Nc1cccc2ocnc21)c1ccc2ccccc2c1[O-] ZINC000791005542 1024417743 /nfs/dbraw/zinc/41/77/43/1024417743.db2.gz UIIMCIDHFCCDMX-UHFFFAOYSA-N -1 1 304.305 3.939 20 0 DHADMM Cc1occ(C(F)(F)F)c1C(=O)[N-]c1c(F)ccnc1F ZINC001274532855 1024423530 /nfs/dbraw/zinc/42/35/30/1024423530.db2.gz KKGIGFJJBNILLY-UHFFFAOYSA-N -1 1 306.190 3.532 20 0 DHADMM Cc1ccnc(COC(=O)c2ccc(Cl)c(Cl)c2[O-])c1 ZINC000791369923 1024478379 /nfs/dbraw/zinc/47/83/79/1024478379.db2.gz AROJPEFRQDYYHD-UHFFFAOYSA-N -1 1 312.152 3.759 20 0 DHADMM CCC(CC)[C@H](c1ccc(Cl)cc1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC000348235263 1024512239 /nfs/dbraw/zinc/51/22/39/1024512239.db2.gz VKYSNAZLBAFOAM-OAHLLOKOSA-N -1 1 322.840 3.773 20 0 DHADMM CC(C)Oc1ccc([C@H](C)NCc2cc(C(=O)[O-])co2)cc1 ZINC000317670794 1024582861 /nfs/dbraw/zinc/58/28/61/1024582861.db2.gz VUENRKBWIPGXDZ-LBPRGKRZSA-N -1 1 303.358 3.616 20 0 DHADMM CC(C)(CC(=O)[N-]OCC(F)F)Cc1ccc(Cl)cc1 ZINC000783705512 1024683438 /nfs/dbraw/zinc/68/34/38/1024683438.db2.gz NKSBTVFZDWADMS-UHFFFAOYSA-N -1 1 305.752 3.612 20 0 DHADMM O=C(NCc1ccc2ncccc2c1)c1c([O-])cccc1Cl ZINC000792632011 1024741773 /nfs/dbraw/zinc/74/17/73/1024741773.db2.gz QAPOXHZGBUUYLC-UHFFFAOYSA-N -1 1 312.756 3.524 20 0 DHADMM C[C@H](c1cc(Cl)ccc1Cl)N1CCC[C@@H](C(=O)[O-])C1 ZINC000226398014 1024766620 /nfs/dbraw/zinc/76/66/20/1024766620.db2.gz PBNHYKBSVDYYRM-NXEZZACHSA-N -1 1 302.201 3.851 20 0 DHADMM [O-]c1cccc(CN(Cc2ccco2)C[C@@H]2CCCO2)c1Cl ZINC000350679965 1024840137 /nfs/dbraw/zinc/84/01/37/1024840137.db2.gz CAAZGPVYWPFLBI-HNNXBMFYSA-N -1 1 321.804 3.820 20 0 DHADMM Cc1cc(C=O)c([O-])c(C(=O)NCC2(C)CCC(C)(C)CC2)c1 ZINC001299418245 1024892006 /nfs/dbraw/zinc/89/20/06/1024892006.db2.gz ABDJMJJOBOVING-UHFFFAOYSA-N -1 1 317.429 3.849 20 0 DHADMM COCc1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000025334823 1024912684 /nfs/dbraw/zinc/91/26/84/1024912684.db2.gz KHLYOSPYRNAEGN-UHFFFAOYSA-N -1 1 307.349 3.944 20 0 DHADMM C[C@H]1c2ccccc2CN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001168208736 1025322561 /nfs/dbraw/zinc/32/25/61/1025322561.db2.gz FRQNWGIWJSAKEX-LBPRGKRZSA-N -1 1 319.360 3.968 20 0 DHADMM Cc1noc(C)c1[C@H](C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885674786 1025378218 /nfs/dbraw/zinc/37/82/18/1025378218.db2.gz VMFBPKKIADLCRD-LURJTMIESA-N -1 1 312.728 3.532 20 0 DHADMM CC[C@@H](C)CC[C@H](O)CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678109 1025381918 /nfs/dbraw/zinc/38/19/18/1025381918.db2.gz JIWKASJJKQKLJI-ZJUUUORDSA-N -1 1 317.788 3.701 20 0 DHADMM O=S(=O)([N-]c1cccc(OC2CCCC2)c1)c1ccccc1 ZINC000028259881 1025460159 /nfs/dbraw/zinc/46/01/59/1025460159.db2.gz WGXUCUCDSXMNNU-UHFFFAOYSA-N -1 1 317.410 3.809 20 0 DHADMM CC(C)(C)c1ccc(C(=O)Nc2nc(-c3ccco3)n[nH]2)s1 ZINC000152084721 1025738619 /nfs/dbraw/zinc/73/86/19/1025738619.db2.gz QKTBVKXAUQKPDK-UHFFFAOYSA-N -1 1 316.386 3.676 20 0 DHADMM CCCc1c(C)[n-]n(-c2ccc(OC(F)(F)F)cc2)c1=O ZINC000614186099 1025830836 /nfs/dbraw/zinc/83/08/36/1025830836.db2.gz VHPIGDNTSJNLLZ-GFCCVEGCSA-N -1 1 300.280 3.724 20 0 DHADMM CCCc1c(C)[n-]n(-c2ccc(F)cc2Br)c1=O ZINC000614186235 1025833783 /nfs/dbraw/zinc/83/37/83/1025833783.db2.gz YWDIBNPWZSWCKM-SNVBAGLBSA-N -1 1 313.170 3.727 20 0 DHADMM CCc1onc(C)c1[N-]C(=O)c1csc(-c2ccc(C)o2)n1 ZINC000089399486 1026044673 /nfs/dbraw/zinc/04/46/73/1026044673.db2.gz MMNDSNROBVLIQP-UHFFFAOYSA-N -1 1 317.370 3.823 20 0 DHADMM CCOC(=O)c1ccc(OC)c(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001211978808 1026106560 /nfs/dbraw/zinc/10/65/60/1026106560.db2.gz GAUKYCZXHDZTDV-UHFFFAOYSA-N -1 1 323.295 3.599 20 0 DHADMM Cc1ccc(C(F)(F)C(=O)[N-][C@@H](C2CC2)C(F)(F)F)cc1 ZINC000807906004 1026144910 /nfs/dbraw/zinc/14/49/10/1026144910.db2.gz JKNREEPETGHUPW-NSHDSACASA-N -1 1 307.262 3.544 20 0 DHADMM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc([O-])cn1 ZINC001137242511 1026172246 /nfs/dbraw/zinc/17/22/46/1026172246.db2.gz KIZSIPAXKBADAC-RYUDHWBXSA-N -1 1 318.804 3.705 20 0 DHADMM O=C([N-]c1nnc(C2CCCCC2)s1)c1ocnc1C1CC1 ZINC000808050413 1026196867 /nfs/dbraw/zinc/19/68/67/1026196867.db2.gz INUADVZXDZBDDI-UHFFFAOYSA-N -1 1 318.402 3.704 20 0 DHADMM CCC[C@H](C)c1noc(-c2[n-]cnc2C(=O)c2ccccc2)n1 ZINC000809358334 1026510708 /nfs/dbraw/zinc/51/07/08/1026510708.db2.gz BZJPHRFMOKNQEQ-NSHDSACASA-N -1 1 310.357 3.594 20 0 DHADMM Cc1cc(F)ccc1-c1ccc(CN[C@H](CC(C)C)C(=O)[O-])o1 ZINC000262722078 1026515691 /nfs/dbraw/zinc/51/56/91/1026515691.db2.gz WHNORNOOPVNJSB-MRXNPFEDSA-N -1 1 319.376 3.983 20 0 DHADMM Cc1nc2cc(NC(=O)c3c(F)ccc([O-])c3F)ccc2s1 ZINC000809755683 1026616617 /nfs/dbraw/zinc/61/66/17/1026616617.db2.gz OVMDBCGKDKUOGE-UHFFFAOYSA-N -1 1 320.320 3.841 20 0 DHADMM CC(C)c1nn(C)cc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000280700569 1026695101 /nfs/dbraw/zinc/69/51/01/1026695101.db2.gz HSSBHQDSLLVOGN-UHFFFAOYSA-N -1 1 308.769 3.547 20 0 DHADMM [O-]c1ccc(Cl)c(-c2cnc(OCC(F)(F)F)cn2)c1F ZINC001244543160 1026768475 /nfs/dbraw/zinc/76/84/75/1026768475.db2.gz RWYGYNRJVGGCJD-UHFFFAOYSA-N -1 1 322.645 3.583 20 0 DHADMM C[C@H](C(=O)[N-]OC/C=C/Cl)c1ccccc1C(F)(F)F ZINC000812400526 1027261380 /nfs/dbraw/zinc/26/13/80/1027261380.db2.gz NULLBCCRBULLGE-IYNCYZAOSA-N -1 1 307.699 3.609 20 0 DHADMM C[C@@H]1C[C@@H](c2cccc(F)c2)N(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000573379521 1027285795 /nfs/dbraw/zinc/28/57/95/1027285795.db2.gz KQTYIOHWVPRWDB-PXAZEXFGSA-N -1 1 314.360 3.502 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)C2CC3(CCC3)C2)c1 ZINC000573373414 1027286575 /nfs/dbraw/zinc/28/65/75/1027286575.db2.gz ABCMZYKSLJQHSL-UHFFFAOYSA-N -1 1 324.218 3.982 20 0 DHADMM C[C@@H]1CCCC[C@@H]1OCCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000574797515 1027429030 /nfs/dbraw/zinc/42/90/30/1027429030.db2.gz DPXIOGSFOCIWKJ-KOLCDFICSA-N -1 1 318.389 3.807 20 0 DHADMM C[C@@H]1CCCC[C@H]1OCCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000574797516 1027429511 /nfs/dbraw/zinc/42/95/11/1027429511.db2.gz DPXIOGSFOCIWKJ-MWLCHTKSSA-N -1 1 318.389 3.807 20 0 DHADMM Cc1ccc(CC(=O)Nc2ccc([O-])c(Cl)c2)c(Cl)n1 ZINC000813494372 1027651898 /nfs/dbraw/zinc/65/18/98/1027651898.db2.gz JKPOIIJXHJEWAS-UHFFFAOYSA-N -1 1 311.168 3.584 20 0 DHADMM CC(C)=CCC[C@H](C)CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000563183469 1027923500 /nfs/dbraw/zinc/92/35/00/1027923500.db2.gz SBGUSEVMWLOQIZ-VIFPVBQESA-N -1 1 304.316 3.535 20 0 DHADMM CCc1ccccc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000780365049 1027965321 /nfs/dbraw/zinc/96/53/21/1027965321.db2.gz KHZGPWNFIMYXRY-UHFFFAOYSA-N -1 1 311.353 3.987 20 0 DHADMM CCc1ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)cc1 ZINC000780365071 1028021784 /nfs/dbraw/zinc/02/17/84/1028021784.db2.gz GKEGIQVKUIAHHQ-UHFFFAOYSA-N -1 1 311.353 3.987 20 0 DHADMM O=C(N=c1nc(-c2ccccc2)[n-]s1)NOC1CCCCC1 ZINC000778265961 1028099479 /nfs/dbraw/zinc/09/94/79/1028099479.db2.gz PKJCBFROZLKTIW-UHFFFAOYSA-N -1 1 318.402 3.591 20 0 DHADMM COc1cc(OC)c(NCc2cccc([O-])c2Cl)cc1F ZINC000815131960 1028389198 /nfs/dbraw/zinc/38/91/98/1028389198.db2.gz JPHAHRUFRQOPBS-UHFFFAOYSA-N -1 1 311.740 3.814 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cccc(Cl)c1Cl ZINC000188375478 1028509474 /nfs/dbraw/zinc/50/94/74/1028509474.db2.gz HQWGKXCQYIPGTR-UHFFFAOYSA-N -1 1 317.559 4.000 20 0 DHADMM O=C([O-])c1cccc(/C=C/C(=O)c2ccc(O)c(F)c2)c1Cl ZINC000188757970 1028527204 /nfs/dbraw/zinc/52/72/04/1028527204.db2.gz QHKGULRLBDLPNB-GQCTYLIASA-N -1 1 320.703 3.779 20 0 DHADMM COC[C@@H](C)CC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000628233324 1028950972 /nfs/dbraw/zinc/95/09/72/1028950972.db2.gz WGKUTIRKIMMEHE-JTQLQIEISA-N -1 1 307.777 3.810 20 0 DHADMM CC[C@@H](CC(C)C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000449803835 1029020553 /nfs/dbraw/zinc/02/05/53/1029020553.db2.gz PKRCAEHUZGWVSH-LBPRGKRZSA-N -1 1 301.390 3.793 20 0 DHADMM C[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])C[C@@H](C)C1(F)F ZINC000628386911 1029026939 /nfs/dbraw/zinc/02/69/39/1029026939.db2.gz IRPUPDGKJJZHEK-VXGBXAGGSA-N -1 1 319.351 3.909 20 0 DHADMM CCc1nc(NC(=O)c2cc(SC)ccc2[O-])sc1C ZINC001135903496 1029141916 /nfs/dbraw/zinc/14/19/16/1029141916.db2.gz XPLVDWQCRRSZGA-UHFFFAOYSA-N -1 1 308.428 3.694 20 0 DHADMM CC(C)CCO[C@H]1CC[C@H](NC(=O)c2ccc([O-])c(F)c2)CC1 ZINC000628836950 1029161614 /nfs/dbraw/zinc/16/16/14/1029161614.db2.gz NMXXIVWOACJJLU-SHTZXODSSA-N -1 1 323.408 3.635 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000628961277 1029196464 /nfs/dbraw/zinc/19/64/64/1029196464.db2.gz ZKPPPCOKPKPVSX-DTWKUNHWSA-N -1 1 305.271 3.839 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])c1cc(C2CC2)[nH]c1C1CC1 ZINC000628959889 1029196896 /nfs/dbraw/zinc/19/68/96/1029196896.db2.gz FRIRJJCTINAXQD-UHFFFAOYSA-N -1 1 300.333 3.867 20 0 DHADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC001136018592 1029260796 /nfs/dbraw/zinc/26/07/96/1029260796.db2.gz AQLPWFJXZBVVFK-IIAWOOMASA-N -1 1 315.413 3.602 20 0 DHADMM O=C([O-])c1ccc(F)c2c1CN(CCCCC(F)(F)F)CC2 ZINC000629368378 1029314203 /nfs/dbraw/zinc/31/42/03/1029314203.db2.gz XHAQTQVPRONUOS-UHFFFAOYSA-N -1 1 319.298 3.615 20 0 DHADMM C[C@@]1(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CCCOC1 ZINC000529538887 1029376837 /nfs/dbraw/zinc/37/68/37/1029376837.db2.gz MPMZKWALUKPAJY-QGZVFWFLSA-N -1 1 319.788 3.954 20 0 DHADMM C[C@@](O)(CC(=O)Nc1cc(Cl)c([O-])c2ccccc12)C1CC1 ZINC000529540297 1029380420 /nfs/dbraw/zinc/38/04/20/1029380420.db2.gz XRAWBQLFMYZWFK-QGZVFWFLSA-N -1 1 319.788 3.688 20 0 DHADMM Cc1cccc(C)c1[C@H](C)NC(=O)c1c(F)ccc([O-])c1F ZINC000570606335 1029391751 /nfs/dbraw/zinc/39/17/51/1029391751.db2.gz LOZFFHNHFHAKOI-NSHDSACASA-N -1 1 305.324 3.778 20 0 DHADMM CC(C)Cc1c[nH]c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC001136190482 1029493995 /nfs/dbraw/zinc/49/39/95/1029493995.db2.gz GLSZNLOSIUAEMM-UHFFFAOYSA-N -1 1 324.384 3.561 20 0 DHADMM C[C@@H]1CC(F)(F)CCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000530016307 1029707705 /nfs/dbraw/zinc/70/77/05/1029707705.db2.gz SKNIYIXTEYBOMB-LLVKDONJSA-N -1 1 305.324 3.805 20 0 DHADMM CCc1c(C(=O)Nc2cccc(F)c2[O-])cnn1CCC(C)C ZINC000530005900 1029709871 /nfs/dbraw/zinc/70/98/71/1029709871.db2.gz NTKPJZPTPGLYSE-UHFFFAOYSA-N -1 1 319.380 3.589 20 0 DHADMM Cc1ccc(N2CCCC2)c(C(=O)Nc2cccc(F)c2[O-])c1 ZINC000530004509 1029711243 /nfs/dbraw/zinc/71/12/43/1029711243.db2.gz BBEGDHSLBOWQMV-UHFFFAOYSA-N -1 1 314.360 3.692 20 0 DHADMM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1cccc([O-])c1Br ZINC000821375035 1029829305 /nfs/dbraw/zinc/82/93/05/1029829305.db2.gz LMXYYYVXZZIHLQ-GWOFURMSSA-N -1 1 324.218 3.775 20 0 DHADMM O=C(Cc1cc(Cl)cc2ccccc21)[N-]O[C@@H]1CCCCO1 ZINC001136459887 1029851385 /nfs/dbraw/zinc/85/13/85/1029851385.db2.gz JZQHSIYCZPMCLN-QGZVFWFLSA-N -1 1 319.788 3.610 20 0 DHADMM O=c1nc(-c2cncs2)[n-]c2sc3c(c21)CCCS3 ZINC000530698786 1029974395 /nfs/dbraw/zinc/97/43/95/1029974395.db2.gz KIEUKVBBBSBPNA-UHFFFAOYSA-N -1 1 307.425 3.559 20 0 DHADMM COc1ccccc1[C@H]1CCCN1C(=O)c1ccc(F)c([O-])c1 ZINC001136587051 1030026838 /nfs/dbraw/zinc/02/68/38/1030026838.db2.gz GWCQDJJYMKLZKW-OAHLLOKOSA-N -1 1 315.344 3.517 20 0 DHADMM CCCC[C@H]1CCC[C@@H]1NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001136601559 1030076346 /nfs/dbraw/zinc/07/63/46/1030076346.db2.gz ZDPGQZMFDRDUDW-BBRMVZONSA-N -1 1 303.402 3.602 20 0 DHADMM Cc1ccc(C[C@@H](C)NC(=O)c2cccc([O-])c2F)c(C)c1 ZINC001136767575 1030372398 /nfs/dbraw/zinc/37/23/98/1030372398.db2.gz VJNMPWXTUQEWBD-CYBMUJFWSA-N -1 1 301.361 3.509 20 0 DHADMM Cc1cccc([C@H]2CCCCN2C(=O)c2ccc([O-])cn2)c1C ZINC001136978545 1030704240 /nfs/dbraw/zinc/70/42/40/1030704240.db2.gz KDOQNTIPFWRVPZ-GOSISDBHSA-N -1 1 310.397 3.771 20 0 DHADMM CC(C)(C)c1nc(C(=O)[N-]c2cc(F)c(F)c(F)c2F)co1 ZINC000825369055 1030789171 /nfs/dbraw/zinc/78/91/71/1030789171.db2.gz QURXAQUHEGFMCQ-UHFFFAOYSA-N -1 1 316.254 3.781 20 0 DHADMM O=C(NCC1([C@H]2CCCCO2)CCC1)c1c([O-])cccc1Cl ZINC000871041253 1031130444 /nfs/dbraw/zinc/13/04/44/1031130444.db2.gz KYXRZGPFRYJCHN-CQSZACIVSA-N -1 1 323.820 3.515 20 0 DHADMM CCN(CC)[C@H](CN=c1nc(C(C)C)[n-]s1)c1ccsc1 ZINC000559151918 1031139949 /nfs/dbraw/zinc/13/99/49/1031139949.db2.gz ACZPVTNMFDUSRR-CYBMUJFWSA-N -1 1 324.519 3.640 20 0 DHADMM CCc1nc(SCc2cc(C(F)(F)F)co2)[n-]c(=O)c1C ZINC000871676210 1031262835 /nfs/dbraw/zinc/26/28/35/1031262835.db2.gz RHGLWQJJQJDDSC-UHFFFAOYSA-N -1 1 318.320 3.957 20 0 DHADMM CCOc1cccc(F)c1CN[C@@H](CC(=O)[O-])c1cccs1 ZINC000871878583 1031368861 /nfs/dbraw/zinc/36/88/61/1031368861.db2.gz PCPKQUDFUAYNFE-ZDUSSCGKSA-N -1 1 323.389 3.592 20 0 DHADMM Cc1cc(OC(C)C)ccc1NC(=O)c1cc(F)ccc1[O-] ZINC000536687520 1031393798 /nfs/dbraw/zinc/39/37/98/1031393798.db2.gz CZXVPSUXLSFNCU-UHFFFAOYSA-N -1 1 303.333 3.879 20 0 DHADMM C[C@@]1(C(F)(F)F)CCN(Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC000872166111 1031544050 /nfs/dbraw/zinc/54/40/50/1031544050.db2.gz DIPBUXASSHISLV-CYBMUJFWSA-N -1 1 321.726 3.813 20 0 DHADMM C[C@H](c1cccc(Cl)c1)N1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1 ZINC000872168564 1031547809 /nfs/dbraw/zinc/54/78/09/1031547809.db2.gz YGIKGBXLDOPQOH-ZHAHWJHGSA-N -1 1 321.726 3.596 20 0 DHADMM [O-]c1ccc(-c2noc(C/C=C\c3ccccc3F)n2)cc1F ZINC000445477576 1031553825 /nfs/dbraw/zinc/55/38/25/1031553825.db2.gz CYWGCASRGCPEAB-HYXAFXHYSA-N -1 1 314.291 3.976 20 0 DHADMM CC1(C)CN(C(=O)c2cc(Cl)ccc2[O-])[C@@H]1c1ccncc1 ZINC000293813644 1031636154 /nfs/dbraw/zinc/63/61/54/1031636154.db2.gz HBAKOLQOQMHIGS-OAHLLOKOSA-N -1 1 316.788 3.664 20 0 DHADMM Cc1ccccc1O[C@@H]1CCN(Cc2c(F)cc([O-])cc2F)C1 ZINC001144555154 1031704320 /nfs/dbraw/zinc/70/43/20/1031704320.db2.gz XNBVOQDSJQWXEN-CQSZACIVSA-N -1 1 319.351 3.632 20 0 DHADMM CCOc1cc(C(=O)N(C)Cc2occc2C)cc(Cl)c1[O-] ZINC000294071671 1031784903 /nfs/dbraw/zinc/78/49/03/1031784903.db2.gz KXFJDJAVZUHZNU-UHFFFAOYSA-N -1 1 323.776 3.618 20 0 DHADMM C[C@H]1CN(Cc2cc(F)c([O-])cc2F)[C@@H](c2ccccc2)CO1 ZINC001144663585 1031802044 /nfs/dbraw/zinc/80/20/44/1031802044.db2.gz GSQBIUFQWXXRLF-YVEFUNNKSA-N -1 1 319.351 3.632 20 0 DHADMM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cccc([O-])c1F ZINC001144753031 1031937098 /nfs/dbraw/zinc/93/70/98/1031937098.db2.gz WEICPQOVRYBJJP-CYBMUJFWSA-N -1 1 301.361 3.972 20 0 DHADMM CN(CCC(C)(C)C)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000898083814 1031947693 /nfs/dbraw/zinc/94/76/93/1031947693.db2.gz BXFAAGFFWMJXNB-UHFFFAOYSA-N -1 1 301.386 3.759 20 0 DHADMM CC1(C)C[C@]1(C(=O)Nc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC001142545982 1031998963 /nfs/dbraw/zinc/99/89/63/1031998963.db2.gz OCSZKCQKFWUHIA-GOSISDBHSA-N -1 1 317.335 3.977 20 0 DHADMM Cc1cc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)ccc1F ZINC001212688575 1033445563 /nfs/dbraw/zinc/44/55/63/1033445563.db2.gz JSFVHJJFJPJPSA-UHFFFAOYSA-N -1 1 312.226 3.593 20 0 DHADMM Cc1cc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)ccc1F ZINC001212688575 1033445566 /nfs/dbraw/zinc/44/55/66/1033445566.db2.gz JSFVHJJFJPJPSA-UHFFFAOYSA-N -1 1 312.226 3.593 20 0 DHADMM C[C@H]1CN(Cc2cccc([O-])c2Cl)CC[C@H](C(F)(F)F)O1 ZINC000877823269 1033472985 /nfs/dbraw/zinc/47/29/85/1033472985.db2.gz WCBQTJSGTPTXQY-JOYOIKCWSA-N -1 1 323.742 3.587 20 0 DHADMM C[C@@H]1CN(Cc2cccc([O-])c2Cl)CC[C@H](C(F)(F)F)O1 ZINC000877823262 1033473775 /nfs/dbraw/zinc/47/37/75/1033473775.db2.gz WCBQTJSGTPTXQY-BXKDBHETSA-N -1 1 323.742 3.587 20 0 DHADMM O=C(c1ncccc1[O-])N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000153788482 1033594768 /nfs/dbraw/zinc/59/47/68/1033594768.db2.gz MYPQBTWABWYMFN-INIZCTEOSA-N -1 1 321.380 3.636 20 0 DHADMM CC(C)(CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)CC(F)F ZINC000878218998 1033624838 /nfs/dbraw/zinc/62/48/38/1033624838.db2.gz FUWSUYYWMWDNGE-UHFFFAOYSA-N -1 1 323.343 3.792 20 0 DHADMM CSCCCCCCC(=O)Nc1ccc([O-])c(F)c1F ZINC000861930040 1033739394 /nfs/dbraw/zinc/73/93/94/1033739394.db2.gz UHMGXUJJEIUONH-UHFFFAOYSA-N -1 1 303.374 3.922 20 0 DHADMM Cc1cccnc1[C@H](NC(=O)c1ccc([O-])cc1F)C(C)(C)C ZINC000889889438 1033769117 /nfs/dbraw/zinc/76/91/17/1033769117.db2.gz QFQCBMROOSTQRW-INIZCTEOSA-N -1 1 316.376 3.752 20 0 DHADMM O=C(CC1(O)CCCC1)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000862295136 1033812469 /nfs/dbraw/zinc/81/24/69/1033812469.db2.gz ZZYCMCMWDSOULE-UHFFFAOYSA-N -1 1 319.788 3.833 20 0 DHADMM CC(C)CNC(=O)c1ccc(Nc2ccc(F)c(F)c2[O-])cc1 ZINC001174079699 1034134820 /nfs/dbraw/zinc/13/48/20/1034134820.db2.gz AVTPAHFVMSJOEV-UHFFFAOYSA-N -1 1 320.339 3.800 20 0 DHADMM CCCCNC(=O)c1ccc(Nc2cc(F)c([O-])cc2F)cc1 ZINC001174123465 1034145918 /nfs/dbraw/zinc/14/59/18/1034145918.db2.gz IZOSOEPQWIJPQT-UHFFFAOYSA-N -1 1 320.339 3.944 20 0 DHADMM CNC(=O)c1cccc(Nc2ccc(Cl)c(Cl)c2[O-])c1 ZINC001174142635 1034168654 /nfs/dbraw/zinc/16/86/54/1034168654.db2.gz GZKLQTSSCDHZAT-UHFFFAOYSA-N -1 1 311.168 3.802 20 0 DHADMM CCCCNC(=O)c1cccc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001174192265 1034211231 /nfs/dbraw/zinc/21/12/31/1034211231.db2.gz MBMBBPIHBNWHQV-UHFFFAOYSA-N -1 1 320.339 3.944 20 0 DHADMM CSc1nc(Nc2cccc(N3CCCCC3)c2)cc(=O)[n-]1 ZINC001174301706 1034259520 /nfs/dbraw/zinc/25/95/20/1034259520.db2.gz GYSKHCRONIEMBG-UHFFFAOYSA-N -1 1 316.430 3.638 20 0 DHADMM CCOc1cc(F)cc(CN[C@@H](CC(=O)[O-])c2ccsc2)c1 ZINC000864503895 1034367187 /nfs/dbraw/zinc/36/71/87/1034367187.db2.gz JEYMNDPLHGXKMO-HNNXBMFYSA-N -1 1 323.389 3.592 20 0 DHADMM CCc1ccccc1[C@H](CC(=O)[O-])NCc1ccc(Cl)o1 ZINC000864528760 1034379390 /nfs/dbraw/zinc/37/93/90/1034379390.db2.gz TWALYJVEMZVWHN-AWEZNQCLSA-N -1 1 307.777 3.801 20 0 DHADMM Cc1ccc([C@@H](C)CNC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000554872283 1034385380 /nfs/dbraw/zinc/38/53/80/1034385380.db2.gz VRLGFHFHJQBEJV-NSHDSACASA-N -1 1 305.324 3.512 20 0 DHADMM O=c1[n-]c(F)c(Cl)c(Nc2ccc3c[nH]nc3c2)c1Cl ZINC001174497822 1034416119 /nfs/dbraw/zinc/41/61/19/1034416119.db2.gz KQRZIEPNZPJAOD-UHFFFAOYSA-N -1 1 313.119 3.853 20 0 DHADMM C[C@@H]1CO[C@H](C(=O)Nc2cc(Cl)c([O-])c3ccccc23)C1 ZINC000899051580 1034428264 /nfs/dbraw/zinc/42/82/64/1034428264.db2.gz YFZNUPXMEQNVFT-XPTSAGLGSA-N -1 1 305.761 3.562 20 0 DHADMM COc1cc(Nc2ccc(Cl)c(Cl)c2[O-])cnc1OC ZINC001174547451 1034498925 /nfs/dbraw/zinc/49/89/25/1034498925.db2.gz GDJRPLKNTTXXDB-UHFFFAOYSA-N -1 1 315.156 3.855 20 0 DHADMM CCOc1cc(C(=O)N[C@@H](CC)C(C)(C)C)cc(Cl)c1[O-] ZINC000555160218 1034539115 /nfs/dbraw/zinc/53/91/15/1034539115.db2.gz UWTGYXNQSWPBKF-ZDUSSCGKSA-N -1 1 313.825 3.999 20 0 DHADMM CCOc1cc(C(=O)N[C@H](CC)C(C)(C)C)cc(Cl)c1[O-] ZINC000555160216 1034540229 /nfs/dbraw/zinc/54/02/29/1034540229.db2.gz UWTGYXNQSWPBKF-CYBMUJFWSA-N -1 1 313.825 3.999 20 0 DHADMM [O-]c1c(Br)c(F)ccc1Nc1cnc(C2CC2)nc1 ZINC001174616591 1034540615 /nfs/dbraw/zinc/54/06/15/1034540615.db2.gz FYKPBWVLFIBCLN-UHFFFAOYSA-N -1 1 324.153 3.705 20 0 DHADMM CCC(=O)[C@H]1CCCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000185825546 1034576575 /nfs/dbraw/zinc/57/65/75/1034576575.db2.gz WDENIHXTVAWRKR-MRXNPFEDSA-N -1 1 311.381 3.519 20 0 DHADMM O=c1oc2cc([O-])ccc2cc1Nc1cccc2ncccc21 ZINC001174907002 1034672108 /nfs/dbraw/zinc/67/21/08/1034672108.db2.gz ZYULNYZFKLOQHY-UHFFFAOYSA-N -1 1 304.305 3.790 20 0 DHADMM Cc1[nH]nc(C(=O)Nc2cccc(Oc3cccc(C)c3)c2)c1[O-] ZINC001174922742 1034684918 /nfs/dbraw/zinc/68/49/18/1034684918.db2.gz YYQYOKOPYDYCRV-UHFFFAOYSA-N -1 1 323.352 3.777 20 0 DHADMM COc1cc(F)c(Nc2cc3ccc([O-])cc3oc2=O)cc1F ZINC001174925692 1034687223 /nfs/dbraw/zinc/68/72/23/1034687223.db2.gz GQYYQLNPWSJGRU-UHFFFAOYSA-N -1 1 319.263 3.529 20 0 DHADMM Cc1nc([C@@H]2CCCN2C(=O)c2ccc(Cl)cc2[O-])cs1 ZINC000187114879 1034689943 /nfs/dbraw/zinc/68/99/43/1034689943.db2.gz FQKGCQJOXCATCS-ZDUSSCGKSA-N -1 1 322.817 3.788 20 0 DHADMM O=c1oc2cc([O-])ccc2cc1Nc1cc(F)c(F)c(F)c1 ZINC001174957761 1034707316 /nfs/dbraw/zinc/70/73/16/1034707316.db2.gz ACYAXOHTGRKJKD-UHFFFAOYSA-N -1 1 307.227 3.660 20 0 DHADMM O=C(NC1CC1)c1ccc(Nc2cc([O-])c(Cl)cc2F)cc1 ZINC001175606845 1035062345 /nfs/dbraw/zinc/06/23/45/1035062345.db2.gz SIXWDHVYLOAZON-UHFFFAOYSA-N -1 1 320.751 3.821 20 0 DHADMM CCSc1ccc(CNC(=O)c2ccc([O-])c(F)c2)cc1 ZINC001176031341 1035187958 /nfs/dbraw/zinc/18/79/58/1035187958.db2.gz XWLPYGPBJJWLOZ-UHFFFAOYSA-N -1 1 305.374 3.573 20 0 DHADMM CCS(=O)(=O)c1ccc([O-])c(NC=Cc2ccc(C)cc2)c1 ZINC001176423130 1035270756 /nfs/dbraw/zinc/27/07/56/1035270756.db2.gz YPUQVYGETSTRSK-ZHACJKMWSA-N -1 1 317.410 3.577 20 0 DHADMM Cc1ccc([C@@H]2CCN(C(=O)c3ncc(C)cc3[O-])C2(C)C)cc1 ZINC001176425370 1035271386 /nfs/dbraw/zinc/27/13/86/1035271386.db2.gz BSYQODUCZBDUIM-INIZCTEOSA-N -1 1 324.424 3.812 20 0 DHADMM CC(C)Oc1cc([N-]c2nnc(C(C)(C)C)s2)c(F)cn1 ZINC001176481308 1035276210 /nfs/dbraw/zinc/27/62/10/1035276210.db2.gz YZXQTQKGKHIORT-UHFFFAOYSA-N -1 1 310.398 3.901 20 0 DHADMM COC(=O)c1cc(C)sc1Nc1c(F)cc(F)c([O-])c1F ZINC001176664068 1035309213 /nfs/dbraw/zinc/30/92/13/1035309213.db2.gz SJHAGMKGFXXVQJ-UHFFFAOYSA-N -1 1 317.288 3.710 20 0 DHADMM COc1cc(C)c(Nc2c(F)cc(F)c([O-])c2F)cc1OC ZINC001176671374 1035310990 /nfs/dbraw/zinc/31/09/90/1035310990.db2.gz BNZIBBBLYTYEMA-UHFFFAOYSA-N -1 1 313.275 3.879 20 0 DHADMM O=C1CCCN1c1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1 ZINC001176669490 1035311027 /nfs/dbraw/zinc/31/10/27/1035311027.db2.gz IGHOLLNHMQKDEK-UHFFFAOYSA-N -1 1 322.286 3.680 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cnc3cccc(O)c3c2)c1F ZINC001176662904 1035316696 /nfs/dbraw/zinc/31/66/96/1035316696.db2.gz CEHMVFJSAPJZQN-UHFFFAOYSA-N -1 1 306.243 3.807 20 0 DHADMM O=C(/C=C\c1cccc(F)c1)NCc1ccc([O-])c(Cl)c1 ZINC001176994480 1035342610 /nfs/dbraw/zinc/34/26/10/1035342610.db2.gz UWOCMKKGQPJLAZ-ALCCZGGFSA-N -1 1 305.736 3.514 20 0 DHADMM O=C([O-])C[C@H](NCc1cscc1Cl)c1cccs1 ZINC000904006435 1035343722 /nfs/dbraw/zinc/34/37/22/1035343722.db2.gz WJRWZNISSRZVNO-JTQLQIEISA-N -1 1 301.820 3.769 20 0 DHADMM CCc1ccccc1[C@H](CC(=O)[O-])NCc1ccc(Cl)cn1 ZINC000904030937 1035346881 /nfs/dbraw/zinc/34/68/81/1035346881.db2.gz FBGSIBGGPYDDSF-INIZCTEOSA-N -1 1 318.804 3.603 20 0 DHADMM O=C([O-])c1cc(-c2cc(F)c(CN3CCCC3)c(F)c2)cs1 ZINC001206304015 1035371635 /nfs/dbraw/zinc/37/16/35/1035371635.db2.gz XNQSICRJWMYZLG-UHFFFAOYSA-N -1 1 323.364 3.987 20 0 DHADMM O=C(Nc1ccc(Oc2ccccc2F)cc1)c1cncc([O-])c1 ZINC001177993361 1035406355 /nfs/dbraw/zinc/40/63/55/1035406355.db2.gz JTKTYZBPOIQDRL-UHFFFAOYSA-N -1 1 324.311 3.971 20 0 DHADMM O=C([O-])[C@@H]1CN(Cc2csc(Cl)c2Cl)C[C@H]1C1CC1 ZINC000904429523 1035413173 /nfs/dbraw/zinc/41/31/73/1035413173.db2.gz JZEGGPOTDRJZCS-VHSXEESVSA-N -1 1 320.241 3.598 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)CC1CCCCC1 ZINC000773755878 1035438824 /nfs/dbraw/zinc/43/88/24/1035438824.db2.gz RTXTWSGDKBQIRS-LBPRGKRZSA-N -1 1 319.449 3.703 20 0 DHADMM [O-]c1ccc(Cc2nc(-c3ccc(F)cc3F)no2)cc1Cl ZINC000904807553 1035459392 /nfs/dbraw/zinc/45/93/92/1035459392.db2.gz WCLSVUDUQPXCTC-UHFFFAOYSA-N -1 1 322.698 3.965 20 0 DHADMM O=C(N[C@@H]1CCC[C@@H](c2ccccc2)CC1)c1ccc([O-])cn1 ZINC001179334537 1035474936 /nfs/dbraw/zinc/47/49/36/1035474936.db2.gz CXKCLHRQIZMMOX-HZPDHXFCSA-N -1 1 310.397 3.634 20 0 DHADMM Cc1cccc(C)c1OCC(=O)Nc1cc(F)c([O-])cc1Cl ZINC001179656060 1035487459 /nfs/dbraw/zinc/48/74/59/1035487459.db2.gz NKCCYJIBNFJTBW-UHFFFAOYSA-N -1 1 323.751 3.819 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1c(F)cc(F)cc1F ZINC001179656972 1035487463 /nfs/dbraw/zinc/48/74/63/1035487463.db2.gz YOSZZGMNFLJQQH-UHFFFAOYSA-N -1 1 319.641 3.854 20 0 DHADMM C[C@@H](CC(N)=O)c1ccc(NCc2cccc([O-])c2Cl)cc1 ZINC001179666610 1035492347 /nfs/dbraw/zinc/49/23/47/1035492347.db2.gz WKPHYEINCWYLRB-NSHDSACASA-N -1 1 318.804 3.637 20 0 DHADMM C[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)c1ccc(F)cc1 ZINC001179840310 1035511551 /nfs/dbraw/zinc/51/15/51/1035511551.db2.gz ARHYWLNQHHHLJK-SNVBAGLBSA-N -1 1 307.752 3.605 20 0 DHADMM CC[C@H](CC(F)(F)F)[N-]C(=O)C(F)(F)c1ccccc1F ZINC000760602462 1035567714 /nfs/dbraw/zinc/56/77/14/1035567714.db2.gz KVGVSXQDADWSTG-MRVPVSSYSA-N -1 1 313.241 3.765 20 0 DHADMM O=C(N[C@@H]1CCCc2ccccc21)c1ccc(Cl)cc1[O-] ZINC000070133991 1035571170 /nfs/dbraw/zinc/57/11/70/1035571170.db2.gz QAUFXWXUMNVXRT-OAHLLOKOSA-N -1 1 301.773 3.853 20 0 DHADMM CC[C@@H]1c2ccccc2CN1C(=O)c1cc(C)cc(C=O)c1[O-] ZINC001180139334 1035595444 /nfs/dbraw/zinc/59/54/44/1035595444.db2.gz AMDQEQZSQSSVMN-QGZVFWFLSA-N -1 1 309.365 3.620 20 0 DHADMM CCc1oc(CN[C@@H](C)c2ccc(OC)c(C)c2)cc1C(=O)[O-] ZINC000905728412 1035629151 /nfs/dbraw/zinc/62/91/51/1035629151.db2.gz RWWWPYHSMMGBSB-LBPRGKRZSA-N -1 1 317.385 3.708 20 0 DHADMM CC(C)(C(=O)Nc1cccc(C(F)(F)F)c1[O-])C(F)(F)F ZINC001180449851 1035685192 /nfs/dbraw/zinc/68/51/92/1035685192.db2.gz CPZCNFJCPPAYCT-UHFFFAOYSA-N -1 1 315.213 3.938 20 0 DHADMM O=C(Nc1nc2c(o1)CCCC2)c1cc2ccccc2cc1[O-] ZINC001180588785 1035724654 /nfs/dbraw/zinc/72/46/54/1035724654.db2.gz GTJNCOPVNPSWLW-UHFFFAOYSA-N -1 1 308.337 3.665 20 0 DHADMM CCC[C@](C)(NC(=O)c1cccc([O-])c1F)c1ccccc1 ZINC001180681612 1035741474 /nfs/dbraw/zinc/74/14/74/1035741474.db2.gz KDJWWVPSPWSBSJ-SFHVURJKSA-N -1 1 301.361 3.977 20 0 DHADMM Cc1cc([N-]S(=O)(=O)c2ccccc2N)ccc1C(C)C ZINC001193924627 1035772644 /nfs/dbraw/zinc/77/26/44/1035772644.db2.gz QKRXCJXVIDSWPD-UHFFFAOYSA-N -1 1 304.415 3.501 20 0 DHADMM CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000124487139 1035825656 /nfs/dbraw/zinc/82/56/56/1035825656.db2.gz PHMHJRSEKACFQI-GFCCVEGCSA-N -1 1 313.800 3.802 20 0 DHADMM CCCCCCOC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001194192605 1035868815 /nfs/dbraw/zinc/86/88/15/1035868815.db2.gz NLPMGFCLSXJFRP-UHFFFAOYSA-N -1 1 303.362 3.707 20 0 DHADMM CCCN(Cc1ccc(C)cc1)C(=O)c1cc(F)ccc1[O-] ZINC000539848715 1035901945 /nfs/dbraw/zinc/90/19/45/1035901945.db2.gz ZHOUEYCOIDRJFK-UHFFFAOYSA-N -1 1 301.361 3.892 20 0 DHADMM CC(=O)Nc1ccc([O-])c(-c2nc(C3CCCCCC3)no2)c1 ZINC000569123652 1035906937 /nfs/dbraw/zinc/90/69/37/1035906937.db2.gz UHYPAONVQPOTBW-UHFFFAOYSA-N -1 1 315.373 3.838 20 0 DHADMM CSc1cccc([N-]S(=O)(=O)c2c(C)cccc2C)c1 ZINC001194634037 1035972650 /nfs/dbraw/zinc/97/26/50/1035972650.db2.gz LJWKMDZCTQBCAI-UHFFFAOYSA-N -1 1 307.440 3.826 20 0 DHADMM CC(=O)c1ccc(C)cc1[N-]S(=O)(=O)c1c(C)cccc1C ZINC001194642990 1035975946 /nfs/dbraw/zinc/97/59/46/1035975946.db2.gz GOORQUBWIJHSNY-UHFFFAOYSA-N -1 1 317.410 3.615 20 0 DHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc2sncc2c1 ZINC001194645180 1035976292 /nfs/dbraw/zinc/97/62/92/1035976292.db2.gz ZBXVFVUPVXWRMJ-UHFFFAOYSA-N -1 1 318.423 3.714 20 0 DHADMM COc1ccc(Nc2cc(Cl)c([O-])cc2F)c(Cl)n1 ZINC001250019762 1035985827 /nfs/dbraw/zinc/98/58/27/1035985827.db2.gz DFUCOVGQFUXYCU-UHFFFAOYSA-N -1 1 303.120 3.985 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]C(C)(C)/C=C\Cl)sc1Cl ZINC001195042316 1036114336 /nfs/dbraw/zinc/11/43/36/1036114336.db2.gz IQYRWWXLBRNCCV-PLNGDYQASA-N -1 1 314.259 3.519 20 0 DHADMM COc1cc(F)c(F)cc1NCc1ccc([O-])c(F)c1F ZINC001182195905 1036130387 /nfs/dbraw/zinc/13/03/87/1036130387.db2.gz KDUAPJCVYTZCNW-UHFFFAOYSA-N -1 1 301.239 3.569 20 0 DHADMM Cc1cnc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC001195119907 1036143252 /nfs/dbraw/zinc/14/32/52/1036143252.db2.gz FDHDRVDUPIWASM-UHFFFAOYSA-N -1 1 324.833 3.968 20 0 DHADMM COc1cc(F)cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC001195158504 1036164428 /nfs/dbraw/zinc/16/44/28/1036164428.db2.gz ABFHRMCYGYRIHT-UHFFFAOYSA-N -1 1 323.389 3.759 20 0 DHADMM Cc1nc2cc(NC(=O)c3nc(C)ccc3[O-])c(C)cc2s1 ZINC001195329411 1036213330 /nfs/dbraw/zinc/21/33/30/1036213330.db2.gz AXKNBPMPKGZXDI-UHFFFAOYSA-N -1 1 313.382 3.574 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1c(Cl)ccc(C)c1Cl ZINC001195483369 1036264017 /nfs/dbraw/zinc/26/40/17/1036264017.db2.gz CCDHFABYHRTACM-UHFFFAOYSA-N -1 1 307.202 3.745 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1ccc(OCC(C)(C)C)cc1 ZINC001195493127 1036268732 /nfs/dbraw/zinc/26/87/32/1036268732.db2.gz WCVGNBZTJBYGAR-UHFFFAOYSA-N -1 1 310.419 3.554 20 0 DHADMM C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000541887354 1036453666 /nfs/dbraw/zinc/45/36/66/1036453666.db2.gz RASUQAUOELVPRM-SECBINFHSA-N -1 1 309.724 3.591 20 0 DHADMM COc1ccc(C)cc1CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000541887797 1036453930 /nfs/dbraw/zinc/45/39/30/1036453930.db2.gz VRUPYCWUVVTHGI-UHFFFAOYSA-N -1 1 305.761 3.544 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)[C@@H]1C[C@H]1C1CCC1 ZINC000908707465 1036487051 /nfs/dbraw/zinc/48/70/51/1036487051.db2.gz IFZSGJZJYYXGFW-VHSXEESVSA-N -1 1 310.191 3.529 20 0 DHADMM O=C(C=C(C1CC1)C1CC1)Nc1cccc([O-])c1Br ZINC000908717140 1036492716 /nfs/dbraw/zinc/49/27/16/1036492716.db2.gz WIIHTYDUTNQVOI-UHFFFAOYSA-N -1 1 322.202 3.840 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)[C@]12C[C@H]1CCCC2 ZINC000908716595 1036493517 /nfs/dbraw/zinc/49/35/17/1036493517.db2.gz HTQFNUWXUQWRDW-YMTOWFKASA-N -1 1 310.191 3.674 20 0 DHADMM CC(C)(CC(=O)Nc1nc(Cl)ccc1[O-])c1ccc(F)cc1 ZINC001183217384 1036543814 /nfs/dbraw/zinc/54/38/14/1036543814.db2.gz BRMBNYDIBXZBMI-UHFFFAOYSA-N -1 1 322.767 3.886 20 0 DHADMM CC(=O)c1ccc(NC(=S)Nc2ccc([O-])c(F)c2F)cc1 ZINC001196553811 1036563824 /nfs/dbraw/zinc/56/38/24/1036563824.db2.gz XVYUKNJKJSIDLS-UHFFFAOYSA-N -1 1 322.336 3.682 20 0 DHADMM CSc1nc(NC2=CC[C@@H](C(F)(F)F)CC2)cc(=O)[n-]1 ZINC001196768384 1036602981 /nfs/dbraw/zinc/60/29/81/1036602981.db2.gz QKSVULFYADHLGL-SSDOTTSWSA-N -1 1 305.325 3.562 20 0 DHADMM CC(C)(C)OC(=O)Nc1ccc(-c2nc(C3CC3)no2)c([O-])c1 ZINC000495434448 1036636171 /nfs/dbraw/zinc/63/61/71/1036636171.db2.gz PPQPMARELUIWQR-UHFFFAOYSA-N -1 1 317.345 3.667 20 0 DHADMM CSc1nc(NC(=O)Nc2c(C)cccc2Cl)cc(=O)[n-]1 ZINC001183717465 1036658739 /nfs/dbraw/zinc/65/87/39/1036658739.db2.gz JRLXWKXEPKHALK-UHFFFAOYSA-N -1 1 324.793 3.510 20 0 DHADMM CC[C@@H](OC1CCCCC1)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909985500 1036728967 /nfs/dbraw/zinc/72/89/67/1036728967.db2.gz ZVISCJSWDDJZGR-OAHLLOKOSA-N -1 1 313.344 3.737 20 0 DHADMM O=S(=O)(Cc1cc(Cl)ccc1Cl)[N-]c1ccoc1 ZINC001197508909 1036786517 /nfs/dbraw/zinc/78/65/17/1036786517.db2.gz RXNJAAAAQKDWSV-UHFFFAOYSA-N -1 1 306.170 3.528 20 0 DHADMM Cc1cccc(C)c1NC(=S)Nc1cc(Cl)ncc1[O-] ZINC001198332354 1036998218 /nfs/dbraw/zinc/99/82/18/1036998218.db2.gz JUKMRFFTQKEWSH-UHFFFAOYSA-N -1 1 307.806 3.866 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC(C(F)F)CC1 ZINC000307875280 1037014940 /nfs/dbraw/zinc/01/49/40/1037014940.db2.gz FNPKVGAADOQPQE-UHFFFAOYSA-N -1 1 305.324 3.663 20 0 DHADMM CC(C)(C)c1cnc(CCC(=O)Nc2cc(F)cc(F)c2[O-])o1 ZINC000910981459 1037020508 /nfs/dbraw/zinc/02/05/08/1037020508.db2.gz DCIOJSVPADGNQI-UHFFFAOYSA-N -1 1 324.327 3.527 20 0 DHADMM C[C@@]1(CC(=O)Nc2cc(F)cc(F)c2[O-])CC1(Cl)Cl ZINC000910987417 1037023730 /nfs/dbraw/zinc/02/37/30/1037023730.db2.gz MORJKEDXOLPDMB-LLVKDONJSA-N -1 1 310.127 3.583 20 0 DHADMM C[C@@H](Cc1cccs1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000316110828 1037071396 /nfs/dbraw/zinc/07/13/96/1037071396.db2.gz OIHUPLUNAWJIMW-LBPRGKRZSA-N -1 1 311.406 3.968 20 0 DHADMM O=S(=O)([N-]c1c(Cl)ncc2ccccc21)c1ccsc1 ZINC001185350679 1037107726 /nfs/dbraw/zinc/10/77/26/1037107726.db2.gz IHQNOYRILGLJPG-UHFFFAOYSA-N -1 1 324.814 3.751 20 0 DHADMM CN(C)c1ccc(NC(=S)Nc2cc(F)cc(F)c2[O-])cc1 ZINC001198771399 1037127500 /nfs/dbraw/zinc/12/75/00/1037127500.db2.gz VLGAMTDDOSQBOP-UHFFFAOYSA-N -1 1 323.368 3.545 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2ccc3occc3c2)cc1F ZINC001198816157 1037139103 /nfs/dbraw/zinc/13/91/03/1037139103.db2.gz GDXLVWXZGCXWQS-UHFFFAOYSA-N -1 1 305.330 3.681 20 0 DHADMM COc1cc(C)cc([N-]S(=O)(=O)c2ccc3occc3c2)c1 ZINC001198862418 1037148591 /nfs/dbraw/zinc/14/85/91/1037148591.db2.gz UEOZKLXMAXGNMV-UHFFFAOYSA-N -1 1 317.366 3.551 20 0 DHADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc3ncsc3c2)c1 ZINC000176687593 1037158660 /nfs/dbraw/zinc/15/86/60/1037158660.db2.gz AVPYYHCFBBBOCL-UHFFFAOYSA-N -1 1 322.386 3.545 20 0 DHADMM COc1cccc([C@@H](C)N2CCc3c(cccc3C(=O)[O-])C2)c1 ZINC000322309376 1037196571 /nfs/dbraw/zinc/19/65/71/1037196571.db2.gz XTEBKJPKLGJWCJ-CYBMUJFWSA-N -1 1 311.381 3.513 20 0 DHADMM CCO[C@H](c1noc(-c2cc(F)ccc2[O-])n1)c1ccccc1 ZINC000322323340 1037197510 /nfs/dbraw/zinc/19/75/10/1037197510.db2.gz QGYRKWNFSLNFMS-HNNXBMFYSA-N -1 1 314.316 3.707 20 0 DHADMM O=C(NCc1cccc(F)c1)Nc1cc([O-])c(Cl)cc1F ZINC001185825593 1037246909 /nfs/dbraw/zinc/24/69/09/1037246909.db2.gz FKKUXIBLYHFBEF-UHFFFAOYSA-N -1 1 312.703 3.646 20 0 DHADMM COC(=O)c1ccc(Nc2c(F)ccc([O-])c2Cl)cc1F ZINC001250232293 1037331051 /nfs/dbraw/zinc/33/10/51/1037331051.db2.gz IFDPVHSALQLESM-UHFFFAOYSA-N -1 1 313.687 3.854 20 0 DHADMM O=C(Nc1cccc2c(Cl)ccnc12)c1ccc([O-])c(F)c1 ZINC001186225309 1037337457 /nfs/dbraw/zinc/33/74/57/1037337457.db2.gz AEJJSMRFWWMNJU-UHFFFAOYSA-N -1 1 316.719 3.985 20 0 DHADMM O=C([N-]c1c(F)cccc1F)c1ocnc1-c1ccccc1 ZINC000074695365 1037419451 /nfs/dbraw/zinc/41/94/51/1037419451.db2.gz NZBZEPYRHQLPOR-UHFFFAOYSA-N -1 1 300.264 3.872 20 0 DHADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2o1 ZINC000074937333 1037487845 /nfs/dbraw/zinc/48/78/45/1037487845.db2.gz GOJDAECLVJAKDM-UHFFFAOYSA-N -1 1 316.382 3.554 20 0 DHADMM O=C(NCc1cc2ccccc2s1)c1c(F)ccc([O-])c1F ZINC000489567179 1037488062 /nfs/dbraw/zinc/48/80/62/1037488062.db2.gz OWCRCWXQMYMTSK-UHFFFAOYSA-N -1 1 319.332 3.815 20 0 DHADMM C[C@H](CCC(C)(C)C)[N-]S(=O)(=O)c1sccc1Cl ZINC001187102257 1037576110 /nfs/dbraw/zinc/57/61/10/1037576110.db2.gz SZYDCVHLNCDBKA-SECBINFHSA-N -1 1 309.884 3.895 20 0 DHADMM O=C(Nc1nccc2ccncc21)c1cc2ccccc2cc1[O-] ZINC000763325406 1037577473 /nfs/dbraw/zinc/57/74/73/1037577473.db2.gz ZYJUECVVUYKQNN-UHFFFAOYSA-N -1 1 315.332 3.741 20 0 DHADMM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001187383419 1037634194 /nfs/dbraw/zinc/63/41/94/1037634194.db2.gz DMLAEYFLOXQVMK-UWVGGRQHSA-N -1 1 307.818 3.582 20 0 DHADMM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001187383418 1037635327 /nfs/dbraw/zinc/63/53/27/1037635327.db2.gz DMLAEYFLOXQVMK-NXEZZACHSA-N -1 1 307.818 3.582 20 0 DHADMM CC(C)(C)OCc1cc(C(=O)[N-]c2c(F)cccc2F)no1 ZINC000184626088 1037746037 /nfs/dbraw/zinc/74/60/37/1037746037.db2.gz HRKDODRUBGCJSX-UHFFFAOYSA-N -1 1 310.300 3.520 20 0 DHADMM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000184767589 1037754436 /nfs/dbraw/zinc/75/44/36/1037754436.db2.gz QKZCOONMZHUGOF-NHYWBVRUSA-N -1 1 311.809 3.970 20 0 DHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CC=CC12CCCC2 ZINC000913204837 1037761198 /nfs/dbraw/zinc/76/11/98/1037761198.db2.gz ODHOXMSBXATFLD-UHFFFAOYSA-N -1 1 311.303 3.736 20 0 DHADMM CCc1c(Cl)cc(NS(=O)(=O)C2CCC2)c([O-])c1Cl ZINC001188138005 1037824254 /nfs/dbraw/zinc/82/42/54/1037824254.db2.gz OSSCZKUKCNQVDF-UHFFFAOYSA-N -1 1 324.229 3.556 20 0 DHADMM CCCc1cc(=O)[n-]c(SC[C@H](OC)c2ccc(F)cc2)n1 ZINC001188162698 1037831185 /nfs/dbraw/zinc/83/11/85/1037831185.db2.gz KVSICPRXLYVCKX-AWEZNQCLSA-N -1 1 322.405 3.754 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCOc2ccccc21 ZINC000123580896 1037856939 /nfs/dbraw/zinc/85/69/39/1037856939.db2.gz FBZCRASETJSVGZ-UHFFFAOYSA-N -1 1 305.333 3.585 20 0 DHADMM Cc1cc(F)ncc1NC(=O)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188561793 1037922099 /nfs/dbraw/zinc/92/20/99/1037922099.db2.gz CIEJRXVNVVVJDS-UHFFFAOYSA-N -1 1 314.238 3.506 20 0 DHADMM O=S(=O)([N-]c1cc(F)c(Cl)cc1Cl)c1ccoc1 ZINC001188609730 1037929873 /nfs/dbraw/zinc/92/98/73/1037929873.db2.gz ACQMQMQWDAUQKP-UHFFFAOYSA-N -1 1 310.133 3.526 20 0 DHADMM O=C(Nc1cccc([O-])c1Cl)N[C@@H]1C[C@H]1c1ccccc1 ZINC001201938200 1037934351 /nfs/dbraw/zinc/93/43/51/1037934351.db2.gz ZPEKUTCXUUFBMW-WCQYABFASA-N -1 1 302.761 3.723 20 0 DHADMM O=C(Nc1ccccc1)Nc1cccc([O-])c1Br ZINC001201957378 1037955270 /nfs/dbraw/zinc/95/52/70/1037955270.db2.gz TUWDMMLUIKTPHD-UHFFFAOYSA-N -1 1 307.147 3.799 20 0 DHADMM O=C(Nc1ccc(F)cc1F)Nc1cc([O-])c(F)cc1F ZINC001202020195 1037969741 /nfs/dbraw/zinc/96/97/41/1037969741.db2.gz KGJBDDYCZSBFGE-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1F)Nc1c(F)cccc1F ZINC001202043610 1038017000 /nfs/dbraw/zinc/01/70/00/1038017000.db2.gz SEXWLLFRPNMWIT-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H](Cc2ccccc2)C1 ZINC000126156497 1038037955 /nfs/dbraw/zinc/03/79/55/1038037955.db2.gz JNQINHNPBUEMPN-CQSZACIVSA-N -1 1 315.800 3.750 20 0 DHADMM Cc1ccccc1NC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001202186645 1038090549 /nfs/dbraw/zinc/09/05/49/1038090549.db2.gz LOFOSIZNUBBASK-UHFFFAOYSA-N -1 1 308.341 3.530 20 0 DHADMM O=S(=O)([N-]c1cc(O)cc(Cl)c1)c1ccc(C2CC2)cc1 ZINC001190499788 1038327893 /nfs/dbraw/zinc/32/78/93/1038327893.db2.gz IHGSOLHNANSLBK-UHFFFAOYSA-N -1 1 323.801 3.724 20 0 DHADMM CCc1cccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1 ZINC001190500974 1038330614 /nfs/dbraw/zinc/33/06/14/1038330614.db2.gz SHVTVFYBBDDUGY-UHFFFAOYSA-N -1 1 301.411 3.927 20 0 DHADMM CCCCCc1ccc([N-]S(=O)(=O)c2ccncc2)cc1 ZINC001190896206 1038402418 /nfs/dbraw/zinc/40/24/18/1038402418.db2.gz GEGSMMRMGQXQFU-UHFFFAOYSA-N -1 1 304.415 3.615 20 0 DHADMM C#Cc1cccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000032084670 1038424725 /nfs/dbraw/zinc/42/47/25/1038424725.db2.gz PPRWBLARXKDIJQ-UHFFFAOYSA-N -1 1 313.422 3.667 20 0 DHADMM O=C(Nc1ccccc1)c1ccccc1C(=O)c1ccc([O-])cc1 ZINC001191484907 1038507596 /nfs/dbraw/zinc/50/75/96/1038507596.db2.gz QVQLEOATOHNNIW-UHFFFAOYSA-N -1 1 317.344 3.876 20 0 DHADMM CCCCCCNC(=O)Nc1cccc([O-])c1Br ZINC001191979470 1038578274 /nfs/dbraw/zinc/57/82/74/1038578274.db2.gz VVQBBIKHVBAHML-UHFFFAOYSA-N -1 1 315.211 3.857 20 0 DHADMM Cc1cc(C)c([N-]S(=O)(=O)c2cnc(Cl)cc2C)c(C)c1 ZINC001192357863 1038638117 /nfs/dbraw/zinc/63/81/17/1038638117.db2.gz ORUOXHGZGQVXSB-UHFFFAOYSA-N -1 1 324.833 3.769 20 0 DHADMM O=C(Nc1ccc(F)c2cnccc12)c1c(F)ccc([O-])c1F ZINC001192539484 1038678021 /nfs/dbraw/zinc/67/80/21/1038678021.db2.gz JLRDCGAUBYAOSY-UHFFFAOYSA-N -1 1 318.254 3.610 20 0 DHADMM O=C(Nc1csc2cnccc12)c1cc([O-])cc(F)c1F ZINC001192651228 1038685660 /nfs/dbraw/zinc/68/56/60/1038685660.db2.gz BWBCMMNPRWJDHN-UHFFFAOYSA-N -1 1 306.293 3.532 20 0 DHADMM CCC1(NC(=O)c2cc([O-])cc(F)c2F)CCC(F)(F)CC1 ZINC001192685012 1038692384 /nfs/dbraw/zinc/69/23/84/1038692384.db2.gz WNWMDIXZTUOANB-UHFFFAOYSA-N -1 1 319.298 3.758 20 0 DHADMM COc1cccc([C@H](C)NC(=O)Nc2c(F)cc([O-])cc2F)c1 ZINC001192892526 1038711677 /nfs/dbraw/zinc/71/16/77/1038711677.db2.gz GRKHFZKVDPVXIT-VIFPVBQESA-N -1 1 322.311 3.562 20 0 DHADMM [O-]c1ccc(-c2noc(-c3coc(C4CCCC4)n3)n2)c(F)c1 ZINC000573247370 1038887476 /nfs/dbraw/zinc/88/74/76/1038887476.db2.gz MBQHFYURDTYMOL-UHFFFAOYSA-N -1 1 315.304 3.894 20 0 DHADMM C[C@H]1C[C@H](c2ccccc2)CCN1Cc1nc(C(=O)[O-])cs1 ZINC000573734697 1039068274 /nfs/dbraw/zinc/06/82/74/1039068274.db2.gz YYGVSNIZSHLCKZ-GXTWGEPZSA-N -1 1 316.426 3.609 20 0 DHADMM COc1cc(/C=C2\C(=O)Oc3ccccc32)cc(Cl)c1[O-] ZINC000061190264 1039095736 /nfs/dbraw/zinc/09/57/36/1039095736.db2.gz WISADDBJJIIDLN-WDZFZDKYSA-N -1 1 302.713 3.514 20 0 DHADMM CCc1cccc(CC)c1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000605492115 1039705204 /nfs/dbraw/zinc/70/52/04/1039705204.db2.gz FKYNSGBONYUAPD-UHFFFAOYSA-N -1 1 307.390 3.751 20 0 DHADMM O=C([N-]CCc1ccc(Cl)cc1Cl)C(F)(F)C(F)F ZINC000226596838 1039723415 /nfs/dbraw/zinc/72/34/15/1039723415.db2.gz NQGMJCHHFWVOII-UHFFFAOYSA-N -1 1 318.097 3.553 20 0 DHADMM C[C@@H]1CN(Cc2cccc([O-])c2Cl)Cc2ccccc2O1 ZINC000646207978 1039905454 /nfs/dbraw/zinc/90/54/54/1039905454.db2.gz OMXVHVFFVGXNHU-GFCCVEGCSA-N -1 1 303.789 3.829 20 0 DHADMM CC(C)COc1ccc(CC(=O)Nc2c([O-])cccc2F)cc1 ZINC000608365463 1040473463 /nfs/dbraw/zinc/47/34/63/1040473463.db2.gz FWXDQEIMMFAKTP-UHFFFAOYSA-N -1 1 317.360 3.747 20 0 DHADMM CCN(CC)c1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000608366043 1040474466 /nfs/dbraw/zinc/47/44/66/1040474466.db2.gz ZUTBGPNLYGVOIR-UHFFFAOYSA-N -1 1 302.349 3.630 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1cc(-c2ccccc2F)on1 ZINC000608366231 1040475307 /nfs/dbraw/zinc/47/53/07/1040475307.db2.gz GSGBJGFEFIJTIE-UHFFFAOYSA-N -1 1 316.263 3.578 20 0 DHADMM Cc1cc(NC(=O)c2ccc(O)cc2[O-])ccc1C(F)(F)F ZINC000608557770 1040548253 /nfs/dbraw/zinc/54/82/53/1040548253.db2.gz BLUYWLGXAZOPMP-UHFFFAOYSA-N -1 1 311.259 3.677 20 0 DHADMM CCC(CC)n1nc(C(=O)Nc2ccc([O-])c(F)c2F)cc1C ZINC000456763193 1040909074 /nfs/dbraw/zinc/90/90/74/1040909074.db2.gz BNRXXGIKRCRTML-UHFFFAOYSA-N -1 1 323.343 3.789 20 0 DHADMM Cc1ccc(C)c(CSc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000005155107 181210739 /nfs/dbraw/zinc/21/07/39/181210739.db2.gz SHSCYWAKQLACHR-UHFFFAOYSA-N -1 1 314.332 3.698 20 0 DHADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc(F)c2)c1C ZINC000006607574 181360835 /nfs/dbraw/zinc/36/08/35/181360835.db2.gz SWEYGXSXXRHZJD-UHFFFAOYSA-N -1 1 307.390 3.860 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCCC[C@H]1c1ncc[nH]1 ZINC000094071809 193343503 /nfs/dbraw/zinc/34/35/03/193343503.db2.gz QAUUUSJWRZAIJM-INIZCTEOSA-N -1 1 321.380 3.636 20 0 DHADMM COCC[C@@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000274343119 130226914 /nfs/dbraw/zinc/22/69/14/130226914.db2.gz PJIRHYSLOWMEGN-LLVKDONJSA-N -1 1 304.415 3.675 20 0 DHADMM CC(C)[C@H]1C[C@@H](Cc2nc(-c3ccc([O-])cc3F)no2)CCO1 ZINC000278304485 130679569 /nfs/dbraw/zinc/67/95/69/130679569.db2.gz XUUGVHPZWXXFGT-XHDPSFHLSA-N -1 1 320.364 3.575 20 0 DHADMM O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1c(F)ccc([O-])c1F ZINC000286586732 131242368 /nfs/dbraw/zinc/24/23/68/131242368.db2.gz NQVMVLUAMITSTK-GXTWGEPZSA-N -1 1 317.335 3.737 20 0 DHADMM CCOc1cc(-c2noc([C@H]3CC3(F)F)n2)cc(Cl)c1[O-] ZINC000296697020 131982624 /nfs/dbraw/zinc/98/26/24/131982624.db2.gz HMURCUGPUMHDQE-SSDOTTSWSA-N -1 1 316.691 3.617 20 0 DHADMM Cc1ccc(-c2ccc(CN[C@@H](CC3CCC3)C(=O)[O-])o2)cc1 ZINC000417714428 335070317 /nfs/dbraw/zinc/07/03/17/335070317.db2.gz ZUIGMKSLZYKRCJ-KRWDZBQOSA-N -1 1 313.397 3.988 20 0 DHADMM O=C([N-]c1nnc(C(F)F)s1)c1cc2cccc(F)c2o1 ZINC000607809042 435347640 /nfs/dbraw/zinc/34/76/40/435347640.db2.gz UXQHHWZFRYCXKU-UHFFFAOYSA-N -1 1 313.260 3.613 20 0 DHADMM Cn1cccc1[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000173565656 332832927 /nfs/dbraw/zinc/83/29/27/332832927.db2.gz LOLHQIYPHNHSPZ-OAHLLOKOSA-N -1 1 318.804 3.752 20 0 DHADMM Cc1cccc(C)c1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000533690757 331646120 /nfs/dbraw/zinc/64/61/20/331646120.db2.gz QMVAPTKMTCGTKB-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM O=c1cc(C(F)F)nc(SCCOC2CCCCCC2)[n-]1 ZINC000584082172 331668309 /nfs/dbraw/zinc/66/83/09/331668309.db2.gz CWDNWKSPUMHQTI-UHFFFAOYSA-N -1 1 318.389 3.951 20 0 DHADMM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000131992358 332062756 /nfs/dbraw/zinc/06/27/56/332062756.db2.gz XYGJAKDEWHHWLX-BQBZGAKWSA-N -1 1 314.259 3.522 20 0 DHADMM CCc1onc(C)c1[N-]C(=O)c1nc(-c2ccccc2)cs1 ZINC000089392882 332067893 /nfs/dbraw/zinc/06/78/93/332067893.db2.gz FNCUCCLKBPWFBC-UHFFFAOYSA-N -1 1 313.382 3.921 20 0 DHADMM CCn1nc(C)c(NC(=O)c2ccc3ccccc3c2[O-])c1C ZINC000091684427 332079819 /nfs/dbraw/zinc/07/98/19/332079819.db2.gz UXJSOFBXVIVFAX-UHFFFAOYSA-N -1 1 309.369 3.631 20 0 DHADMM O=C(NCCOC1CCCCC1)c1cc2ccccc2cc1[O-] ZINC000320358868 332082846 /nfs/dbraw/zinc/08/28/46/332082846.db2.gz BIQYEAIFQIYZOG-UHFFFAOYSA-N -1 1 313.397 3.625 20 0 DHADMM C[C@@H]1CCN(C(=O)c2cc(F)ccc2[O-])[C@@H](c2ccco2)C1 ZINC000091990861 332099588 /nfs/dbraw/zinc/09/95/88/332099588.db2.gz JIHLFAAKDQOSOK-BXUZGUMPSA-N -1 1 303.333 3.738 20 0 DHADMM O=C(Nc1ccc2c(c1)COC2)c1ccc2ccccc2c1[O-] ZINC000092051618 332103488 /nfs/dbraw/zinc/10/34/88/332103488.db2.gz OPMRXCVLFLUGFA-UHFFFAOYSA-N -1 1 305.333 3.828 20 0 DHADMM C[C@H](c1cccc(O)c1)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000092602234 332136022 /nfs/dbraw/zinc/13/60/22/332136022.db2.gz YZMWIPMNHQUFTR-SNVBAGLBSA-N -1 1 305.761 3.584 20 0 DHADMM Cc1cccc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)c1 ZINC000426808469 332152045 /nfs/dbraw/zinc/15/20/45/332152045.db2.gz MPBXWAGRZGKLGS-INIZCTEOSA-N -1 1 305.324 3.579 20 0 DHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2cccc(OC(C)C)c2)o1 ZINC000426810659 332152115 /nfs/dbraw/zinc/15/21/15/332152115.db2.gz PTMQEVRGGSNHHD-INIZCTEOSA-N -1 1 317.385 3.681 20 0 DHADMM O=C([O-])[C@H](NCc1cccc(Cl)c1Cl)c1ccsc1 ZINC000426837029 332156577 /nfs/dbraw/zinc/15/65/77/332156577.db2.gz WBPOXIKWSSHBDX-GFCCVEGCSA-N -1 1 316.209 3.970 20 0 DHADMM O=C(c1ncccc1[O-])N(Cc1cccc(F)c1)C1CCCC1 ZINC000427009878 332164519 /nfs/dbraw/zinc/16/45/19/332164519.db2.gz SVXNUWXRGPDPTH-UHFFFAOYSA-N -1 1 314.360 3.511 20 0 DHADMM CC(C)Nc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000427045617 332165501 /nfs/dbraw/zinc/16/55/01/332165501.db2.gz RIYKSRFXXWXJIF-UHFFFAOYSA-N -1 1 305.765 3.513 20 0 DHADMM O=S(=O)([N-][C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cc2ccccc2o1 ZINC000531010373 332208597 /nfs/dbraw/zinc/20/85/97/332208597.db2.gz ZIPXRXAPEGNGTG-KCQAQPDRSA-N -1 1 319.426 3.680 20 0 DHADMM Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ncc(C)cc2[O-])o1 ZINC000408225453 332336449 /nfs/dbraw/zinc/33/64/49/332336449.db2.gz UKCXLEKPTQNQGF-FZMZJTMJSA-N -1 1 314.385 3.610 20 0 DHADMM O=C([O-])c1coc(CN(Cc2ccc(Cl)cc2)C2CC2)c1 ZINC000566357574 332373581 /nfs/dbraw/zinc/37/35/81/332373581.db2.gz CLJLMGGKAKKSCZ-UHFFFAOYSA-N -1 1 305.761 3.796 20 0 DHADMM CC1(C)CCN(C(=O)c2cc3ccccc3cc2[O-])CCS1 ZINC000317846856 332388835 /nfs/dbraw/zinc/38/88/35/332388835.db2.gz NMVDSACWJVOWKB-UHFFFAOYSA-N -1 1 315.438 3.903 20 0 DHADMM Cc1cccc([C@H](C)CNC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000561967124 332523172 /nfs/dbraw/zinc/52/31/72/332523172.db2.gz HBQZFOBZFQFLBX-LLVKDONJSA-N -1 1 305.324 3.512 20 0 DHADMM CC[C@H](CN(CC)C(=O)c1ncc(C)cc1[O-])c1ccccc1 ZINC000427812150 332525331 /nfs/dbraw/zinc/52/53/31/332525331.db2.gz POCBROIGUXACHX-OAHLLOKOSA-N -1 1 312.413 3.752 20 0 DHADMM O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)c1cncc([O-])c1 ZINC000169199244 332620363 /nfs/dbraw/zinc/62/03/63/332620363.db2.gz VFXXPPNFTIETGE-UHFFFAOYSA-N -1 1 316.666 3.712 20 0 DHADMM COc1ccc(-c2nc(Cc3ccccc3Cl)no2)c([O-])c1 ZINC000171844230 332652529 /nfs/dbraw/zinc/65/25/29/332652529.db2.gz QIOGXZSJYXUJHY-UHFFFAOYSA-N -1 1 316.744 3.695 20 0 DHADMM CN(Cc1ccccc1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180328481 333027850 /nfs/dbraw/zinc/02/78/50/333027850.db2.gz MIDPBWURKYCJJF-UHFFFAOYSA-N -1 1 309.287 3.683 20 0 DHADMM CCc1noc(C)c1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180781165 333028754 /nfs/dbraw/zinc/02/87/54/333028754.db2.gz GFSKFTILKIEPJA-UHFFFAOYSA-N -1 1 314.263 3.522 20 0 DHADMM C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@H]1C ZINC000180853784 333028796 /nfs/dbraw/zinc/02/87/96/333028796.db2.gz VATDHMIDZXKWBF-NXEZZACHSA-N -1 1 301.308 3.529 20 0 DHADMM O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc([O-])cc1F ZINC000181053618 333029340 /nfs/dbraw/zinc/02/93/40/333029340.db2.gz HPHBBRBDHDTXGN-UHFFFAOYSA-N -1 1 315.222 3.682 20 0 DHADMM Cc1ccc2nc(NC(=O)c3ccc([O-])cc3F)sc2c1 ZINC000181074491 333029468 /nfs/dbraw/zinc/02/94/68/333029468.db2.gz LMRPLEYEOWLUFU-UHFFFAOYSA-N -1 1 302.330 3.702 20 0 DHADMM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc([O-])cc1F ZINC000181246528 333029664 /nfs/dbraw/zinc/02/96/64/333029664.db2.gz RLTABVKIVDMEBU-KRWDZBQOSA-N -1 1 319.351 3.668 20 0 DHADMM C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)c1ccc(F)cc1 ZINC000188141324 333037951 /nfs/dbraw/zinc/03/79/51/333037951.db2.gz GUMKFNZMPCCYPC-VIFPVBQESA-N -1 1 318.373 3.562 20 0 DHADMM C[C@H](C1CC1)n1nccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000216181430 333149619 /nfs/dbraw/zinc/14/96/19/333149619.db2.gz JXHJCXIPJBGJRJ-GFCCVEGCSA-N -1 1 321.380 3.965 20 0 DHADMM O=C(/C=C\c1ccnc(Cl)c1)Nc1ccc([O-])c(Cl)c1 ZINC000492524492 333302035 /nfs/dbraw/zinc/30/20/35/333302035.db2.gz XJTPTTDZHQGLCE-RJRFIUFISA-N -1 1 309.152 3.746 20 0 DHADMM C[C@]1(Cc2ccccc2)CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000186226125 333372210 /nfs/dbraw/zinc/37/22/10/333372210.db2.gz PBWLKABJFZHHGA-LJQANCHMSA-N -1 1 313.372 3.769 20 0 DHADMM C[C@H]1CCCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000186438784 333373804 /nfs/dbraw/zinc/37/38/04/333373804.db2.gz MAJDUYCSKQUYGH-JTQLQIEISA-N -1 1 301.308 3.673 20 0 DHADMM C[C@@H]1CC(C)(C)CN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000412780383 333798300 /nfs/dbraw/zinc/79/83/00/333798300.db2.gz LEDHWKAIFMRXMD-SECBINFHSA-N -1 1 301.308 3.672 20 0 DHADMM CC(C)C1(c2ccccc2)CN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000412789838 333799328 /nfs/dbraw/zinc/79/93/28/333799328.db2.gz CEMNWCXATROJMZ-UHFFFAOYSA-N -1 1 313.372 3.581 20 0 DHADMM Cc1cc(C)c([N-]S(=O)(=O)c2cccc(C(C)C)c2)c(C)n1 ZINC000414460902 333987031 /nfs/dbraw/zinc/98/70/31/333987031.db2.gz RDQRYWNMKYFADE-UHFFFAOYSA-N -1 1 318.442 3.931 20 0 DHADMM NC1(c2noc(-c3cc(Cl)c4ccccc4c3[O-])n2)CCC1 ZINC000414629175 334046817 /nfs/dbraw/zinc/04/68/17/334046817.db2.gz PYHHXUVLBWAGIJ-UHFFFAOYSA-N -1 1 315.760 3.587 20 0 DHADMM CCCOc1cc(C)ccc1CNCc1cccc(C(=O)[O-])c1 ZINC000414635750 334049024 /nfs/dbraw/zinc/04/90/24/334049024.db2.gz IECLBUAWWNIDNH-UHFFFAOYSA-N -1 1 313.397 3.772 20 0 DHADMM CC(=O)Nc1ccc([O-])c(-c2nc([C@@H]3CCCC[C@@H]3C)no2)c1 ZINC000273850975 334052100 /nfs/dbraw/zinc/05/21/00/334052100.db2.gz LMDYJJOYGXOWIP-GXFFZTMASA-N -1 1 315.373 3.694 20 0 DHADMM CC(C)c1noc([N-][C@@H](C)c2nc(C(F)(F)F)cs2)n1 ZINC000278885685 334103076 /nfs/dbraw/zinc/10/30/76/334103076.db2.gz WTEMFQKGDDVGRW-LURJTMIESA-N -1 1 306.313 3.841 20 0 DHADMM O=S(=O)([N-]c1ccc(Cl)c(F)c1)c1cccc(Cl)c1 ZINC000048655425 334293730 /nfs/dbraw/zinc/29/37/30/334293730.db2.gz QPEXATVRKSZULP-UHFFFAOYSA-N -1 1 320.172 3.933 20 0 DHADMM COc1cc(C(=O)N2CC[C@H](C)C[C@@H](C)C2)cc(Cl)c1[O-] ZINC000443061807 338442697 /nfs/dbraw/zinc/44/26/97/338442697.db2.gz KEWFGYAUUUFTIK-WDEREUQCSA-N -1 1 311.809 3.562 20 0 DHADMM O=C(/C=C/c1nc2ccccc2o1)Nc1ccc([O-])c(Cl)c1 ZINC000111666904 334352771 /nfs/dbraw/zinc/35/27/71/334352771.db2.gz ASJXHLDNUAKVTG-BQYQJAHWSA-N -1 1 314.728 3.839 20 0 DHADMM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)cc1[O-] ZINC000532012989 334373796 /nfs/dbraw/zinc/37/37/96/334373796.db2.gz WPTBSMGOGCIVFN-SECBINFHSA-N -1 1 309.724 3.591 20 0 DHADMM O=S(=O)([N-]c1cccc(F)c1)c1ccc(C(F)F)cc1 ZINC000340799250 334386426 /nfs/dbraw/zinc/38/64/26/334386426.db2.gz ZUHMMVRGOQPIEY-UHFFFAOYSA-N -1 1 301.289 3.564 20 0 DHADMM COc1cccc(SC)c1[N-]C(=O)c1cc(C2CC2)no1 ZINC000416119605 334652183 /nfs/dbraw/zinc/65/21/83/334652183.db2.gz FPBWGCFZURSHKC-UHFFFAOYSA-N -1 1 304.371 3.535 20 0 DHADMM Cc1cnc(C(=O)N2[C@H](C)C[C@@H](c3ccccc3)[C@@H]2C)c([O-])c1 ZINC000331136542 334838815 /nfs/dbraw/zinc/83/88/15/334838815.db2.gz IULKBDDKEQBHQK-IJEWVQPXSA-N -1 1 310.397 3.502 20 0 DHADMM CSc1ccccc1[N-]C(=O)c1cc(-c2ccccn2)no1 ZINC000344326633 335245998 /nfs/dbraw/zinc/24/59/98/335245998.db2.gz BCTDSMHEYWZLBC-UHFFFAOYSA-N -1 1 311.366 3.711 20 0 DHADMM CC(C)([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C1CC1 ZINC000535735076 335748022 /nfs/dbraw/zinc/74/80/22/335748022.db2.gz IKLPKNDLLQONMQ-UHFFFAOYSA-N -1 1 314.259 3.522 20 0 DHADMM O=C(Cc1ccccc1C(F)(F)F)Nc1ccc(F)cc1[O-] ZINC000536221807 335831718 /nfs/dbraw/zinc/83/17/18/335831718.db2.gz YPZRJDIQFSSLDZ-UHFFFAOYSA-N -1 1 313.250 3.731 20 0 DHADMM Cc1cc(-c2noc(-c3ccc([O-])cc3F)n2)cc(C)c1O ZINC000389253534 336005217 /nfs/dbraw/zinc/00/52/17/336005217.db2.gz BUQOULGBHOOMMC-UHFFFAOYSA-N -1 1 300.289 3.571 20 0 DHADMM CCC1(C)CCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)CC1 ZINC000442954463 336031062 /nfs/dbraw/zinc/03/10/62/336031062.db2.gz FSSMBHZYOINLPG-UHFFFAOYSA-N -1 1 311.809 3.707 20 0 DHADMM COc1ccc([C@@H]2CCCN2Cc2cc(O)cc(F)c2)cc1 ZINC000351997588 336187162 /nfs/dbraw/zinc/18/71/62/336187162.db2.gz VEHZJFJXSZYOMC-SFHVURJKSA-N -1 1 301.361 3.877 20 0 DHADMM O=C(c1cncc([O-])c1)N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000333968991 336214857 /nfs/dbraw/zinc/21/48/57/336214857.db2.gz UFUJCXIQZICDMO-KRWDZBQOSA-N -1 1 308.381 3.545 20 0 DHADMM Cc1ccc(CCC2CCN(C(=O)c3cncc([O-])c3)CC2)cc1 ZINC000324634871 336237086 /nfs/dbraw/zinc/23/70/86/336237086.db2.gz BISKXAGIFJRRAB-UHFFFAOYSA-N -1 1 324.424 3.581 20 0 DHADMM CC[C@@H](Cc1ccccc1)C(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000532445972 336247732 /nfs/dbraw/zinc/24/77/32/336247732.db2.gz VYQGNFCGDMTGGY-AWEZNQCLSA-N -1 1 324.384 3.581 20 0 DHADMM Cc1ccc2c(CCC(=O)Nc3ccc(F)cc3[O-])c[nH]c2c1 ZINC000532622293 336257295 /nfs/dbraw/zinc/25/72/95/336257295.db2.gz XAKVQTIXJREUMV-UHFFFAOYSA-N -1 1 312.344 3.892 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N(Cc1ccccn1)C1CC1 ZINC000192766726 336262210 /nfs/dbraw/zinc/26/22/10/336262210.db2.gz IJVSCHXYGGNOAS-UHFFFAOYSA-N -1 1 318.376 3.745 20 0 DHADMM Cc1nc(-c2ccc(N[C@@H]3CCCC[C@@H]3C)nc2)[n-]c(=O)c1C ZINC000301181692 336293699 /nfs/dbraw/zinc/29/36/99/336293699.db2.gz PJSOADXLQNYABU-XHDPSFHLSA-N -1 1 312.417 3.852 20 0 DHADMM Cc1nc(-c2ccc(NCCCC(C)C)nc2)[n-]c(=O)c1C ZINC000301347572 336301901 /nfs/dbraw/zinc/30/19/01/336301901.db2.gz HRNYNDJMJNKYEV-UHFFFAOYSA-N -1 1 300.406 3.709 20 0 DHADMM CC[C@@H]1CCCCN1c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301740770 336326841 /nfs/dbraw/zinc/32/68/41/336326841.db2.gz XRARHHMPNWQZST-OAHLLOKOSA-N -1 1 312.417 3.630 20 0 DHADMM OC[C@@H]([N-]c1nc(-c2cccc(Cl)c2)no1)c1ccsc1 ZINC000302304388 336357024 /nfs/dbraw/zinc/35/70/24/336357024.db2.gz ZGWCNVZDKWXJRY-GFCCVEGCSA-N -1 1 321.789 3.597 20 0 DHADMM CCc1nsc([N-]c2cnn(-c3ccc(Cl)cc3)c2)n1 ZINC000302476449 336359513 /nfs/dbraw/zinc/35/95/13/336359513.db2.gz XKMATLZHPPJBLI-UHFFFAOYSA-N -1 1 305.794 3.683 20 0 DHADMM CS(=O)(=O)[N-]c1cc(Cl)ccc1Sc1ccccc1 ZINC000514644275 336389902 /nfs/dbraw/zinc/38/99/02/336389902.db2.gz KGGMOFTUSYNCEE-UHFFFAOYSA-N -1 1 313.831 3.863 20 0 DHADMM Cc1cnc(C(=O)N(Cc2ccccc2)[C@H](C)C2CC2)c([O-])c1 ZINC000358606864 336636619 /nfs/dbraw/zinc/63/66/19/336636619.db2.gz XBCREWZTGXFYSR-CQSZACIVSA-N -1 1 310.397 3.537 20 0 DHADMM O=C(c1c(F)ccc([O-])c1F)N1CCC[C@@]2(CC=CCC2)C1 ZINC000368037377 336836197 /nfs/dbraw/zinc/83/61/97/336836197.db2.gz MIEYKGBKCXWDSB-KRWDZBQOSA-N -1 1 307.340 3.633 20 0 DHADMM O=S(=O)([N-]c1ccc2cc[nH]c2c1)c1cccc2ncccc21 ZINC000193481543 337003379 /nfs/dbraw/zinc/00/33/79/337003379.db2.gz XFZHJOZEGVQLHM-UHFFFAOYSA-N -1 1 323.377 3.517 20 0 DHADMM O=C(N[C@H](c1ccco1)c1ccccc1)c1ccc([O-])cc1F ZINC000378517725 337074895 /nfs/dbraw/zinc/07/48/95/337074895.db2.gz JMHFLWINCLSYCU-KRWDZBQOSA-N -1 1 311.312 3.644 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)c(C)c1 ZINC000582691807 337123173 /nfs/dbraw/zinc/12/31/73/337123173.db2.gz WGBIJSUUDDRZGE-UHFFFAOYSA-N -1 1 314.410 3.596 20 0 DHADMM CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc(Br)c([O-])c1 ZINC000221917913 337174043 /nfs/dbraw/zinc/17/40/43/337174043.db2.gz DGXMFNLFZMAACX-KOLCDFICSA-N -1 1 312.207 3.558 20 0 DHADMM C[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)n1cnc2ccccc21 ZINC000182864460 337190489 /nfs/dbraw/zinc/19/04/89/337190489.db2.gz WTRAAUPWZDFHKN-JTQLQIEISA-N -1 1 315.760 3.595 20 0 DHADMM Cc1noc(C2CC2)c1[N-]C(=O)c1coc(-c2ccccc2)n1 ZINC000183938495 337195703 /nfs/dbraw/zinc/19/57/03/337195703.db2.gz CIGUMNMJHNWVFI-UHFFFAOYSA-N -1 1 309.325 3.768 20 0 DHADMM CCc1onc(C)c1[N-]C(=O)c1nc(C)oc1-c1ccccc1 ZINC000185263155 337203784 /nfs/dbraw/zinc/20/37/84/337203784.db2.gz OBMRDXNDMKBHSJ-UHFFFAOYSA-N -1 1 311.341 3.761 20 0 DHADMM Oc1cc(F)cc(C[NH2+][C@@H](c2ccccc2)c2ccncc2)c1 ZINC000185492612 337205841 /nfs/dbraw/zinc/20/58/41/337205841.db2.gz FGUTYNOPBHNVRR-IBGZPJMESA-N -1 1 308.356 3.806 20 0 DHADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(-c2ccccn2)cc1 ZINC000582936703 337219558 /nfs/dbraw/zinc/21/95/58/337219558.db2.gz CEBUSIJVQOGILL-UHFFFAOYSA-N -1 1 324.405 3.858 20 0 DHADMM COc1cc(C[N@@H+](C)Cc2cc(O)cc(F)c2)ccc1SC ZINC000186201252 337254569 /nfs/dbraw/zinc/25/45/69/337254569.db2.gz JTTVPCADCHIYNV-UHFFFAOYSA-N -1 1 321.417 3.894 20 0 DHADMM CCOc1cc(C(=O)N2CC[C@@H](C)[C@H]2CC)cc(Cl)c1[O-] ZINC000187404428 337265705 /nfs/dbraw/zinc/26/57/05/337265705.db2.gz IHVGBXIWKWJMPD-ZWNOBZJWSA-N -1 1 311.809 3.705 20 0 DHADMM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)[C@@H]1CC2CCC1CC2 ZINC000514677496 337301250 /nfs/dbraw/zinc/30/12/50/337301250.db2.gz GBCBIGHMBRPLKX-YYJSSNLHSA-N -1 1 309.356 3.615 20 0 DHADMM C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000583863623 337354910 /nfs/dbraw/zinc/35/49/10/337354910.db2.gz VNXGTQOORDFISR-SECBINFHSA-N -1 1 309.724 3.591 20 0 DHADMM CCC(CC)c1noc(-c2[n-]cnc2C(=O)c2ccccc2)n1 ZINC000584555316 337360773 /nfs/dbraw/zinc/36/07/73/337360773.db2.gz ZQIHQXHVNBZMQA-UHFFFAOYSA-N -1 1 310.357 3.594 20 0 DHADMM [O-]c1ccc(-c2noc(-c3ccc4c(c3)COC4)n2)c(Cl)c1 ZINC000445442557 337834052 /nfs/dbraw/zinc/83/40/52/337834052.db2.gz CTNARTRECNBOMF-UHFFFAOYSA-N -1 1 314.728 3.793 20 0 DHADMM Cc1ccc(/C=C\c2nc(-c3ccc([O-])cc3Cl)no2)cn1 ZINC000445444900 337840881 /nfs/dbraw/zinc/84/08/81/337840881.db2.gz HQQYPLSMUYCPDD-DAXSKMNVSA-N -1 1 313.744 3.969 20 0 DHADMM Cc1ccc(Cc2nc(-c3ccc([O-])cc3Cl)no2)cc1O ZINC000445447663 337846675 /nfs/dbraw/zinc/84/66/75/337846675.db2.gz IRSGDGLFCPNSHM-UHFFFAOYSA-N -1 1 316.744 3.700 20 0 DHADMM C[C@@H](c1nc(-c2ccc([O-])cc2Cl)no1)c1cccnc1 ZINC000445449486 337861653 /nfs/dbraw/zinc/86/16/53/337861653.db2.gz YWQRXVFJCYQIKY-SECBINFHSA-N -1 1 301.733 3.642 20 0 DHADMM Cc1ccccc1C1CCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC000120044375 337869984 /nfs/dbraw/zinc/86/99/84/337869984.db2.gz USDZOWKPKOVONY-UHFFFAOYSA-N -1 1 313.372 3.860 20 0 DHADMM CCc1nc(SCc2cc(C)ccc2OC)[n-]c(=O)c1C ZINC000515339205 337986037 /nfs/dbraw/zinc/98/60/37/337986037.db2.gz BKHBQDMNYAGAMJ-UHFFFAOYSA-N -1 1 304.415 3.662 20 0 DHADMM Cc1ccccc1NCCc1nc(-c2ccc([O-])cc2F)no1 ZINC000445454500 338017174 /nfs/dbraw/zinc/01/71/74/338017174.db2.gz GHMXFQCCIWMBRL-UHFFFAOYSA-N -1 1 313.332 3.544 20 0 DHADMM [O-]c1ccc(-c2noc(CCn3ccc4ccccc43)n2)c(F)c1 ZINC000445457111 338017594 /nfs/dbraw/zinc/01/75/94/338017594.db2.gz LQMOZJKAQLFRPC-UHFFFAOYSA-N -1 1 323.327 3.779 20 0 DHADMM CC[C@@H](C)c1cc(-c2nc(-c3ccc([O-])cc3F)no2)on1 ZINC000445458757 338018137 /nfs/dbraw/zinc/01/81/37/338018137.db2.gz ZBFASOPLDNNQIO-MRVPVSSYSA-N -1 1 303.293 3.750 20 0 DHADMM [O-]c1ccc(-c2noc(/C=C/c3ccc4c(c3)CCO4)n2)c(F)c1 ZINC000445463825 338032044 /nfs/dbraw/zinc/03/20/44/338032044.db2.gz RDVVAYGMZNMXGL-QHHAFSJGSA-N -1 1 324.311 3.687 20 0 DHADMM Cc1cnc(C(=O)N(C)[C@@H](C)c2ccccc2Cl)c([O-])c1 ZINC000426431690 338032165 /nfs/dbraw/zinc/03/21/65/338032165.db2.gz FDOUJCHDSIMIRZ-NSHDSACASA-N -1 1 304.777 3.582 20 0 DHADMM Cc1ccc([C@H](NCc2ccc(F)cc2Cl)C(=O)[O-])cc1 ZINC000426677285 338037836 /nfs/dbraw/zinc/03/78/36/338037836.db2.gz LBJZGBNUTZELAW-HNNXBMFYSA-N -1 1 307.752 3.703 20 0 DHADMM O=C([O-])C[C@@H](NCc1cc(Cl)ccc1F)c1ccsc1 ZINC000426684094 338038118 /nfs/dbraw/zinc/03/81/18/338038118.db2.gz XFNAEQRRGSZNBL-CYBMUJFWSA-N -1 1 313.781 3.846 20 0 DHADMM O=C([O-])Cc1ccccc1CNCc1ccc(Cl)cc1Cl ZINC000426691561 338038221 /nfs/dbraw/zinc/03/82/21/338038221.db2.gz JAKJPMYVQPWTRP-UHFFFAOYSA-N -1 1 324.207 3.910 20 0 DHADMM Cc1ccc(F)c(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000426736258 338039961 /nfs/dbraw/zinc/03/99/61/338039961.db2.gz IKYKMQGEAQNEPT-HNNXBMFYSA-N -1 1 307.752 3.703 20 0 DHADMM CN(CCCC(=O)[O-])Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000430662156 338110704 /nfs/dbraw/zinc/11/07/04/338110704.db2.gz IXNLOHLNNCPXHK-UHFFFAOYSA-N -1 1 324.833 3.760 20 0 DHADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2 ZINC000436023011 338255984 /nfs/dbraw/zinc/25/59/84/338255984.db2.gz ABRNKNKPWQTFTN-UHFFFAOYSA-N -1 1 319.451 3.698 20 0 DHADMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000436189904 338261253 /nfs/dbraw/zinc/26/12/53/338261253.db2.gz UZEHYEDTHMGYKN-UHFFFAOYSA-N -1 1 320.801 3.931 20 0 DHADMM CSc1ccccc1[C@@H](C)NC(=O)c1ccc([O-])cc1F ZINC000436496871 338274361 /nfs/dbraw/zinc/27/43/61/338274361.db2.gz QQEVJLQWWDDTON-SNVBAGLBSA-N -1 1 305.374 3.744 20 0 DHADMM [O-]c1ccc(F)cc1-c1nc(-c2cccc3ncccc32)no1 ZINC000436522432 338274930 /nfs/dbraw/zinc/27/49/30/338274930.db2.gz UKCMVQUOKPPZSC-UHFFFAOYSA-N -1 1 307.284 3.797 20 0 DHADMM CC(C)N(Cc1cccc(F)c1)C(=O)c1cc(F)ccc1[O-] ZINC000436545251 338276340 /nfs/dbraw/zinc/27/63/40/338276340.db2.gz LQEBGIRWOMFOAS-UHFFFAOYSA-N -1 1 305.324 3.721 20 0 DHADMM Cc1ccnc(-c2cccc(NC(=O)c3cc(F)ccc3[O-])c2)n1 ZINC000436549025 338276600 /nfs/dbraw/zinc/27/66/00/338276600.db2.gz DVGMQICLFPWEMD-UHFFFAOYSA-N -1 1 323.327 3.549 20 0 DHADMM O=C(Nc1ccc(OC(F)F)c(F)c1)c1cc(F)ccc1[O-] ZINC000436555010 338276850 /nfs/dbraw/zinc/27/68/50/338276850.db2.gz HRVZXOVHKAMEEX-UHFFFAOYSA-N -1 1 315.222 3.524 20 0 DHADMM COc1ccc(-c2nc(-c3cccc(Cl)c3F)no2)c([O-])c1 ZINC000436561655 338277025 /nfs/dbraw/zinc/27/70/25/338277025.db2.gz ILJLPUZLCDWVEC-UHFFFAOYSA-N -1 1 320.707 3.910 20 0 DHADMM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000436567257 338277433 /nfs/dbraw/zinc/27/74/33/338277433.db2.gz ZSEAJVIXNKKCKJ-LDYMZIIASA-N -1 1 321.726 3.849 20 0 DHADMM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cc(F)ccc2[O-])C1 ZINC000436578359 338277924 /nfs/dbraw/zinc/27/79/24/338277924.db2.gz WMPYONUUEWBGJR-ZBEGNZNMSA-N -1 1 317.335 3.894 20 0 DHADMM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2cc(F)ccc2[O-])C1 ZINC000436578352 338277974 /nfs/dbraw/zinc/27/79/74/338277974.db2.gz WMPYONUUEWBGJR-BDJLRTHQSA-N -1 1 317.335 3.894 20 0 DHADMM O=C(C(=O)N1CCCCC[C@@H]1c1ccccc1)c1ccc([O-])cc1 ZINC000436576942 338277998 /nfs/dbraw/zinc/27/79/98/338277998.db2.gz NJIDTAUVSGYURE-GOSISDBHSA-N -1 1 323.392 3.719 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@@H]1Cc1ccccc1 ZINC000436580065 338278128 /nfs/dbraw/zinc/27/81/28/338278128.db2.gz ZNXIBIZYGISKDQ-CQSZACIVSA-N -1 1 301.773 3.503 20 0 DHADMM C[C@H]1Cc2ccccc2CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000436588148 338278694 /nfs/dbraw/zinc/27/86/94/338278694.db2.gz HKCPJSVWJCOMSP-NSHDSACASA-N -1 1 301.773 3.633 20 0 DHADMM O=C(c1ccc(Br)cc1[O-])N1CC2(C1)CCCCC2 ZINC000436988196 338296707 /nfs/dbraw/zinc/29/67/07/338296707.db2.gz WLQDHWZLYFEVAU-UHFFFAOYSA-N -1 1 324.218 3.561 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CCc2c(F)cc(F)cc2C1 ZINC000436593889 338279102 /nfs/dbraw/zinc/27/91/02/338279102.db2.gz CNUPWMNJGUFVTN-UHFFFAOYSA-N -1 1 323.726 3.522 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCc2cccc(F)c21 ZINC000436595343 338279119 /nfs/dbraw/zinc/27/91/19/338279119.db2.gz LWELGXSXIVQGRA-UHFFFAOYSA-N -1 1 307.324 3.887 20 0 DHADMM CCCCn1ncc(NC(=O)c2cc(F)ccc2[O-])c1C(C)C ZINC000436599079 338279312 /nfs/dbraw/zinc/27/93/12/338279312.db2.gz WPBASRIZINQKAS-UHFFFAOYSA-N -1 1 319.380 3.904 20 0 DHADMM C[C@@H](Cc1cccc(O)c1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000436607675 338279818 /nfs/dbraw/zinc/27/98/18/338279818.db2.gz SWMVCVCYNCKSCU-ZDUSSCGKSA-N -1 1 321.376 3.612 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000436626002 338280455 /nfs/dbraw/zinc/28/04/55/338280455.db2.gz HADVIRBUAOGCPR-HVHJFMEUSA-N -1 1 311.356 3.849 20 0 DHADMM CC(C)(C)[C@@H]1CN(C(=O)C(=O)c2ccc([O-])cc2)c2ccccc21 ZINC000436628119 338280602 /nfs/dbraw/zinc/28/06/02/338280602.db2.gz WXCBXJWSDYLBDJ-MRXNPFEDSA-N -1 1 323.392 3.751 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCc2cccc(F)c2C1 ZINC000436651414 338281576 /nfs/dbraw/zinc/28/15/76/338281576.db2.gz VNKNXWZIPOSAFC-UHFFFAOYSA-N -1 1 321.351 3.883 20 0 DHADMM Cc1cc2c(cc1NC(=O)c1ccc3ccccc3c1[O-])OCO2 ZINC000436661584 338281963 /nfs/dbraw/zinc/28/19/63/338281963.db2.gz YWDNUVJGFYRESX-UHFFFAOYSA-N -1 1 321.332 3.835 20 0 DHADMM O=C(Nc1ccc2[nH]c(-c3ccco3)nc2c1)c1ccccc1[O-] ZINC000436676233 338282507 /nfs/dbraw/zinc/28/25/07/338282507.db2.gz YHKIXQXDAJIMOI-UHFFFAOYSA-N -1 1 319.320 3.781 20 0 DHADMM [O-]c1ccc(-c2nc(Cc3cccc4cccnc43)no2)c(F)c1 ZINC000436690828 338283034 /nfs/dbraw/zinc/28/30/34/338283034.db2.gz RCKFMBVBOYWFBG-UHFFFAOYSA-N -1 1 321.311 3.720 20 0 DHADMM CCCC[C@H](C)N(CCCC)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436709667 338283719 /nfs/dbraw/zinc/28/37/19/338283719.db2.gz OQNWGBGCVVWJAK-AWEZNQCLSA-N -1 1 305.418 3.782 20 0 DHADMM O=C(Nc1ccc2nc[nH]c2c1)c1c([O-])cc(Cl)cc1Cl ZINC000436710293 338283699 /nfs/dbraw/zinc/28/36/99/338283699.db2.gz RUCUREYTZWUDFI-UHFFFAOYSA-N -1 1 322.151 3.828 20 0 DHADMM CC[C@@H](C)Oc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000436712228 338283729 /nfs/dbraw/zinc/28/37/29/338283729.db2.gz MZWTUELMSAXELD-LLVKDONJSA-N -1 1 301.342 3.527 20 0 DHADMM CC(C)n1cc2ccc(NC(=O)c3cc(F)ccc3[O-])cc2n1 ZINC000436723940 338284320 /nfs/dbraw/zinc/28/43/20/338284320.db2.gz RJBBOHSGLYUNTQ-UHFFFAOYSA-N -1 1 313.332 3.714 20 0 DHADMM CC(C)c1c(NC(=O)c2ccccc2[O-])cnn1-c1ccccc1 ZINC000436730773 338284531 /nfs/dbraw/zinc/28/45/31/338284531.db2.gz YDOMLZJXZLLXSS-UHFFFAOYSA-N -1 1 321.380 3.954 20 0 DHADMM CC(C)Cn1ncc(NC(=O)c2cc(F)ccc2[O-])c1C1CC1 ZINC000436732685 338284594 /nfs/dbraw/zinc/28/45/94/338284594.db2.gz DWERWTSZTXIDBT-UHFFFAOYSA-N -1 1 317.364 3.514 20 0 DHADMM C[C@@H](C1CC1)n1cc(NC(=O)c2ccc3ccccc3c2[O-])cn1 ZINC000436737910 338284791 /nfs/dbraw/zinc/28/47/91/338284791.db2.gz KLXROZGZXDLSJJ-LBPRGKRZSA-N -1 1 321.380 3.965 20 0 DHADMM C[C@H](C1CC1)n1cc(NC(=O)c2ccc3ccccc3c2[O-])cn1 ZINC000436737909 338284921 /nfs/dbraw/zinc/28/49/21/338284921.db2.gz KLXROZGZXDLSJJ-GFCCVEGCSA-N -1 1 321.380 3.965 20 0 DHADMM C/C=C\c1ccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000436743920 338285122 /nfs/dbraw/zinc/28/51/22/338285122.db2.gz ICZVQDBZRPXERB-ARJAWSKDSA-N -1 1 310.353 3.636 20 0 DHADMM CC(C)[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000436752111 338285424 /nfs/dbraw/zinc/28/54/24/338285424.db2.gz PTBPXKCYSFUJDJ-JTQLQIEISA-N -1 1 301.308 3.529 20 0 DHADMM Cc1ccc(C)c([C@H](C)N(C)C(=O)c2cc(F)ccc2[O-])c1 ZINC000436757853 338285945 /nfs/dbraw/zinc/28/59/45/338285945.db2.gz XWOZKMVOYPBQRT-ZDUSSCGKSA-N -1 1 301.361 3.981 20 0 DHADMM CCN(CCc1cccs1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436758124 338286033 /nfs/dbraw/zinc/28/60/33/338286033.db2.gz XDVWULRDGBQDHX-UHFFFAOYSA-N -1 1 309.818 3.812 20 0 DHADMM CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1CCCCC1 ZINC000436761897 338286223 /nfs/dbraw/zinc/28/62/23/338286223.db2.gz AYCOUMSZGZNEJV-UHFFFAOYSA-N -1 1 301.308 3.816 20 0 DHADMM C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@@H](C)C1 ZINC000436765122 338286334 /nfs/dbraw/zinc/28/63/34/338286334.db2.gz VSEYEZTWPIHGBS-MNOVXSKESA-N -1 1 315.335 3.919 20 0 DHADMM CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436769974 338286579 /nfs/dbraw/zinc/28/65/79/338286579.db2.gz PJGXJXZYCRCNGO-KOLCDFICSA-N -1 1 301.308 3.814 20 0 DHADMM CCCCOc1ccc(NC(=O)c2ccc(O)cc2[O-])c(C)c1 ZINC000436817828 338288517 /nfs/dbraw/zinc/28/85/17/338288517.db2.gz IPGMDNCBWFQBCP-UHFFFAOYSA-N -1 1 315.369 3.837 20 0 DHADMM O=C(N[C@@H](c1cccnc1)C1CC1)c1ccc2ccccc2c1[O-] ZINC000436824245 338288806 /nfs/dbraw/zinc/28/88/06/338288806.db2.gz GAIOBPCXAFJBLR-GOSISDBHSA-N -1 1 318.376 3.822 20 0 DHADMM O=C(N[C@H]1CCCc2occc21)c1cc2ccccc2cc1[O-] ZINC000436833211 338288911 /nfs/dbraw/zinc/28/89/11/338288911.db2.gz UTAMSPMOIJCYBR-INIZCTEOSA-N -1 1 307.349 3.946 20 0 DHADMM CN(C[C@@H]1CC=CCC1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436842917 338289697 /nfs/dbraw/zinc/28/96/97/338289697.db2.gz ZDEGARGELKENAM-LLVKDONJSA-N -1 1 313.319 3.839 20 0 DHADMM CC(C)(C)Oc1cc(F)ccc1NC(=O)c1ccccc1[O-] ZINC000436868962 338290593 /nfs/dbraw/zinc/29/05/93/338290593.db2.gz JYIYTSRASBUVGT-UHFFFAOYSA-N -1 1 303.333 3.961 20 0 DHADMM O=C1CC[C@H](c2nc(-c3ccc([O-])cc3F)no2)c2ccccc21 ZINC000436870701 338290758 /nfs/dbraw/zinc/29/07/58/338290758.db2.gz FGWWPBYYMMPLOT-ZDUSSCGKSA-N -1 1 324.311 3.690 20 0 DHADMM [O-]c1ccc(-c2noc([C@H]3CCC(F)(F)C3)n2)c(Cl)c1 ZINC000436873974 338290974 /nfs/dbraw/zinc/29/09/74/338290974.db2.gz RJRWBHOSOVETJA-ZETCQYMHSA-N -1 1 300.692 3.998 20 0 DHADMM O=C(NC[C@H]1CCC(F)(F)C1)c1ccc2ccccc2c1[O-] ZINC000436903185 338292798 /nfs/dbraw/zinc/29/27/98/338292798.db2.gz VMGPWVHWVAQWHZ-NSHDSACASA-N -1 1 305.324 3.711 20 0 DHADMM CCSCc1cccc(NC(=O)c2ccc(OC)cc2[O-])c1 ZINC000436915585 338293333 /nfs/dbraw/zinc/29/33/33/338293333.db2.gz PCNKWBMECCHEMO-UHFFFAOYSA-N -1 1 317.410 3.906 20 0 DHADMM [O-]c1cc(Cl)ccc1-c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000436943493 338294943 /nfs/dbraw/zinc/29/49/43/338294943.db2.gz ZSNKXEDZJLZMCE-UHFFFAOYSA-N -1 1 312.716 3.639 20 0 DHADMM O=C(NCc1ccc(-c2ccncc2)cc1)c1c([O-])cccc1F ZINC000436949564 338295292 /nfs/dbraw/zinc/29/52/92/338295292.db2.gz MRKSHSFXZHIDOA-UHFFFAOYSA-N -1 1 322.339 3.523 20 0 DHADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1cc2cccc(F)c2o1 ZINC000436982571 338296566 /nfs/dbraw/zinc/29/65/66/338296566.db2.gz HNEWXMSTUJGRSK-SECBINFHSA-N -1 1 317.291 3.908 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@@H](CC(F)(F)F)C1 ZINC000437000350 338297280 /nfs/dbraw/zinc/29/72/80/338297280.db2.gz NARNUALZRRULIT-NSHDSACASA-N -1 1 323.314 3.960 20 0 DHADMM Cc1ccc([C@H]2CCN(C(=O)c3ccc([O-])cc3F)C2)c(C)c1 ZINC000437005094 338297483 /nfs/dbraw/zinc/29/74/83/338297483.db2.gz WHIKYYXJGZTYBS-AWEZNQCLSA-N -1 1 313.372 3.778 20 0 DHADMM CC(C)[C@@H](CC(F)(F)F)NC(=O)c1cc(Cl)ccc1[O-] ZINC000438608429 338349816 /nfs/dbraw/zinc/34/98/16/338349816.db2.gz MUDDJLGSYHJDRY-SNVBAGLBSA-N -1 1 309.715 3.752 20 0 DHADMM CSc1cccc([N-]S(=O)(=O)c2cccc(F)c2C)c1 ZINC000438796377 338352206 /nfs/dbraw/zinc/35/22/06/338352206.db2.gz QVIWRPOFQYVLIL-UHFFFAOYSA-N -1 1 311.403 3.657 20 0 DHADMM CC(C)(CNC(=O)c1c(F)ccc([O-])c1F)c1cccc(F)c1 ZINC000438911079 338355750 /nfs/dbraw/zinc/35/57/50/338355750.db2.gz CXYQWBYTVHCICQ-UHFFFAOYSA-N -1 1 323.314 3.517 20 0 DHADMM COc1cc(C(=O)Nc2ncccc2C(C)C)cc(Cl)c1[O-] ZINC000442799068 338432344 /nfs/dbraw/zinc/43/23/44/338432344.db2.gz JRLKBESYAHYULF-UHFFFAOYSA-N -1 1 320.776 3.825 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)c(C)c1 ZINC000442851928 338434654 /nfs/dbraw/zinc/43/46/54/338434654.db2.gz RXDXPFJWOIMZFS-UHFFFAOYSA-N -1 1 301.367 3.850 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2ccccc2)cc1OC(C)C ZINC000447266036 338547903 /nfs/dbraw/zinc/54/79/03/338547903.db2.gz UNHIFVWQINNQCA-UHFFFAOYSA-N -1 1 305.399 3.583 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N(Cc1cccnc1)C1CC1 ZINC000195316890 338893532 /nfs/dbraw/zinc/89/35/32/338893532.db2.gz GXFIGFJXGXTMOG-UHFFFAOYSA-N -1 1 318.376 3.745 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)C1CCC(C(F)(F)F)CC1 ZINC000456783880 338940567 /nfs/dbraw/zinc/94/05/67/338940567.db2.gz LTGVTVXTVGWXPK-UHFFFAOYSA-N -1 1 323.261 3.978 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1CCCc2sccc21 ZINC000456789604 338940824 /nfs/dbraw/zinc/94/08/24/338940824.db2.gz UTPHIPVZUAFBQB-VIFPVBQESA-N -1 1 309.337 3.791 20 0 DHADMM Cc1cc(C)cc(C2(C(=O)Nc3ccc([O-])c(F)c3F)CC2)c1 ZINC000456792868 338940933 /nfs/dbraw/zinc/94/09/33/338940933.db2.gz LQYMJOLNOMBDQN-UHFFFAOYSA-N -1 1 317.335 3.958 20 0 DHADMM Cc1cccc([C@H]2CCC[N@H+]2Cc2cc(=O)[nH]c(C3CC3)n2)c1 ZINC000459299243 339020070 /nfs/dbraw/zinc/02/00/70/339020070.db2.gz JKBIGIFHWHQDML-QGZVFWFLSA-N -1 1 309.413 3.705 20 0 DHADMM COc1c(C)cc(S(=O)(=O)[N-]c2cccc(F)c2C)cc1C ZINC000467077312 339225845 /nfs/dbraw/zinc/22/58/45/339225845.db2.gz AZURGIIPRDBPIT-UHFFFAOYSA-N -1 1 323.389 3.560 20 0 DHADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(F)c1C ZINC000467073534 339225890 /nfs/dbraw/zinc/22/58/90/339225890.db2.gz GDAPWFGHOJSLFU-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM COc1c(C)cc(C[N@@H+](C)Cc2cc(O)cc(F)c2)cc1C ZINC000473138814 339382064 /nfs/dbraw/zinc/38/20/64/339382064.db2.gz GWMBOUMEMVUWQS-UHFFFAOYSA-N -1 1 303.377 3.789 20 0 DHADMM O=S(=O)([N-][C@@H]1C=CCCC1)c1ccc(Cl)c(F)c1Cl ZINC000473858888 339393443 /nfs/dbraw/zinc/39/34/43/339393443.db2.gz MJSGPDGEKAGSCE-MRVPVSSYSA-N -1 1 324.204 3.520 20 0 DHADMM CCc1ccccc1S(=O)(=O)[N-]c1cc(OC)c(C)cc1C ZINC000478678009 339520360 /nfs/dbraw/zinc/52/03/60/339520360.db2.gz GDPQZWPSQPLPEZ-UHFFFAOYSA-N -1 1 319.426 3.675 20 0 DHADMM CC[C@H](NC(=O)c1ccc(Br)c([O-])c1)C(C)(C)C ZINC000488944226 339797667 /nfs/dbraw/zinc/79/76/67/339797667.db2.gz SHJDTJPYWSJANK-LBPRGKRZSA-N -1 1 314.223 3.709 20 0 DHADMM Cc1ccc(F)c(C(=O)[N-]c2nnc(C(C)(C)C)s2)c1F ZINC000499630502 340041703 /nfs/dbraw/zinc/04/17/03/340041703.db2.gz HAHJHYOMONASCF-UHFFFAOYSA-N -1 1 311.357 3.675 20 0 DHADMM O=S(=O)([N-]c1ccccc1F)c1csc2ccccc21 ZINC000506584940 340197164 /nfs/dbraw/zinc/19/71/64/340197164.db2.gz OAWVSNZURZXHCY-UHFFFAOYSA-N -1 1 307.371 3.841 20 0 DHADMM CSc1cccc(S(=O)(=O)[N-]c2cccc(F)c2C)c1 ZINC000509081066 340260715 /nfs/dbraw/zinc/26/07/15/340260715.db2.gz JRLZSGHHZOXUHH-UHFFFAOYSA-N -1 1 311.403 3.657 20 0 DHADMM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc(C)cc1F ZINC000509099186 340261273 /nfs/dbraw/zinc/26/12/73/340261273.db2.gz MRVIMJLNRABRDL-UHFFFAOYSA-N -1 1 323.389 3.560 20 0 DHADMM O=C(NCc1cc(F)ccc1F)c1cc2ccccc2cc1[O-] ZINC000303238706 340314829 /nfs/dbraw/zinc/31/48/29/340314829.db2.gz IAJMLIAPJDOYDZ-UHFFFAOYSA-N -1 1 313.303 3.754 20 0 DHADMM COc1cc2c(cc1F)CN(Cc1cccc([O-])c1Cl)CC2 ZINC000512012303 340345345 /nfs/dbraw/zinc/34/53/45/340345345.db2.gz ZSCOVDIHXSUNLC-UHFFFAOYSA-N -1 1 321.779 3.752 20 0 DHADMM CCCc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000512958140 340385619 /nfs/dbraw/zinc/38/56/19/340385619.db2.gz BPUOAYVPHAOEAS-UHFFFAOYSA-N -1 1 321.380 3.987 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)c2cccs2)c1 ZINC000182933018 340485932 /nfs/dbraw/zinc/48/59/32/340485932.db2.gz MXJJATYXKUBONS-UHFFFAOYSA-N -1 1 312.188 3.777 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(F)cc2)c1 ZINC000182916707 340485934 /nfs/dbraw/zinc/48/59/34/340485934.db2.gz BLNCGTVAIHLGIQ-UHFFFAOYSA-N -1 1 324.149 3.855 20 0 DHADMM CSCCCCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000229596466 340614393 /nfs/dbraw/zinc/61/43/93/340614393.db2.gz NCAHMDAEXOWIIG-UHFFFAOYSA-N -1 1 303.427 3.809 20 0 DHADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(-n2cccc2)c1 ZINC000315954180 340677669 /nfs/dbraw/zinc/67/76/69/340677669.db2.gz VOPRTCOCVDIRQS-UHFFFAOYSA-N -1 1 312.394 3.587 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c(C)c1 ZINC000524964558 340685696 /nfs/dbraw/zinc/68/56/96/340685696.db2.gz OENWRUUPMQPQJM-UHFFFAOYSA-N -1 1 315.316 3.522 20 0 DHADMM CO[C@@H](C(=O)Nc1cc(Cl)c([O-])c2ccccc12)C(C)C ZINC000529539047 340760937 /nfs/dbraw/zinc/76/09/37/340760937.db2.gz OJDVMUKLEYIJGM-OAHLLOKOSA-N -1 1 307.777 3.808 20 0 DHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)[C@H]1CCCOCC1 ZINC000529540276 340761145 /nfs/dbraw/zinc/76/11/45/340761145.db2.gz WXKTYYUHXKCOKC-NSHDSACASA-N -1 1 319.788 3.954 20 0 DHADMM CCCCc1nc(CN2[C@H](C)CC(C(=O)[O-])C[C@H]2C)cs1 ZINC000530172799 340781381 /nfs/dbraw/zinc/78/13/81/340781381.db2.gz AOMJMNJGEWLLLU-VXGBXAGGSA-N -1 1 310.463 3.559 20 0 DHADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000126136812 340822834 /nfs/dbraw/zinc/82/28/34/340822834.db2.gz BNRSDVRZEDCAGJ-UHFFFAOYSA-N -1 1 317.410 3.697 20 0 DHADMM CCCc1cc(=O)[n-]c(SCc2nc(C3CC3)cs2)n1 ZINC000544075024 341069418 /nfs/dbraw/zinc/06/94/18/341069418.db2.gz LAGZCVRXIKLQEO-UHFFFAOYSA-N -1 1 307.444 3.761 20 0 DHADMM COc1cc(C(=O)Nc2ccc(C)c(F)c2)cc(Cl)c1[O-] ZINC000546593238 341173718 /nfs/dbraw/zinc/17/37/18/341173718.db2.gz WSNXXMHNEPSMDL-UHFFFAOYSA-N -1 1 309.724 3.754 20 0 DHADMM Cc1c(=O)[n-]c(SC[C@@H]2CCCOC2)nc1-c1ccccc1 ZINC000546641211 341176770 /nfs/dbraw/zinc/17/67/70/341176770.db2.gz XRNYBEYRTOUTSJ-CYBMUJFWSA-N -1 1 316.426 3.676 20 0 DHADMM C[C@H]1CN(C(=O)c2cc(F)ccc2[O-])CC[C@@H]1c1ccccc1 ZINC000080031100 341268747 /nfs/dbraw/zinc/26/87/47/341268747.db2.gz AELDXBBUFNEMEL-BBRMVZONSA-N -1 1 313.372 3.797 20 0 DHADMM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cc(F)ccc1[O-] ZINC000080029282 341268770 /nfs/dbraw/zinc/26/87/70/341268770.db2.gz PUZQTROORQSZPT-YPMHNXCESA-N -1 1 317.335 3.689 20 0 DHADMM C[C@@H]1CN(C(=O)c2cc(F)ccc2[O-])CC[C@@H]1c1ccccc1 ZINC000080031096 341268813 /nfs/dbraw/zinc/26/88/13/341268813.db2.gz AELDXBBUFNEMEL-CJNGLKHVSA-N -1 1 313.372 3.797 20 0 DHADMM C[C@H]1CN(C(=O)c2cc(F)ccc2[O-])CC[C@H]1c1ccccc1 ZINC000080031109 341268838 /nfs/dbraw/zinc/26/88/38/341268838.db2.gz AELDXBBUFNEMEL-XJKSGUPXSA-N -1 1 313.372 3.797 20 0 DHADMM O=C(N[C@H]1CCCc2ccc(F)cc21)c1c(F)ccc([O-])c1F ZINC000564382470 341350500 /nfs/dbraw/zinc/35/05/00/341350500.db2.gz WRHUQTGCYSAYDB-ZDUSSCGKSA-N -1 1 321.298 3.617 20 0 DHADMM O=C(Nc1ccc(F)c(Cl)c1)c1c(F)ccc([O-])c1F ZINC000552116122 341370744 /nfs/dbraw/zinc/37/07/44/341370744.db2.gz ALOSDWAIQJDWCR-UHFFFAOYSA-N -1 1 301.651 3.715 20 0 DHADMM CC[C@@](C)(NC(=O)c1ccc(Cl)cc1[O-])c1nccs1 ZINC000154207600 341586597 /nfs/dbraw/zinc/58/65/97/341586597.db2.gz UKMZMIHAHWBTFO-CQSZACIVSA-N -1 1 310.806 3.557 20 0 DHADMM COc1ccc([C@@H](NC(=O)c2ccc([O-])cc2F)C(C)C)cc1 ZINC000154771863 341595801 /nfs/dbraw/zinc/59/58/01/341595801.db2.gz DRMFTQDMZBZDPB-KRWDZBQOSA-N -1 1 317.360 3.667 20 0 DHADMM CCCCc1nnc([N-]C(=O)c2cc(F)c(F)cc2F)s1 ZINC000124514617 521326732 /nfs/dbraw/zinc/32/67/32/521326732.db2.gz XZOLZNVKKIADER-UHFFFAOYSA-N -1 1 315.320 3.550 20 0 DHADMM CCCCn1cc(C(=O)Nc2ccc([O-])c(Cl)c2)c(C)n1 ZINC000184820380 521388260 /nfs/dbraw/zinc/38/82/60/521388260.db2.gz JZQFCAFQDQJUNQ-UHFFFAOYSA-N -1 1 307.781 3.603 20 0 DHADMM C[S@](=O)Cc1ccccc1NCc1cccc([O-])c1Cl ZINC000339349071 525393203 /nfs/dbraw/zinc/39/32/03/525393203.db2.gz MHRASEGRAFOFMG-FQEVSTJZSA-N -1 1 309.818 3.536 20 0 DHADMM Cc1nc(-c2ccc(NCc3cccc([O-])c3Cl)cc2)n[nH]1 ZINC000339326087 526576939 /nfs/dbraw/zinc/57/69/39/526576939.db2.gz TWNXVUVMPZNLDQ-UHFFFAOYSA-N -1 1 314.776 3.751 20 0 DHADMM C[C@@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1Cl ZINC000736661716 599709817 /nfs/dbraw/zinc/70/98/17/599709817.db2.gz HCXRSXZZUJLVHK-BMIGLBTASA-N -1 1 307.752 3.956 20 0 DHADMM COc1ccccc1[C@@H]1CCCN1Cc1cc(C)c(C(=O)[O-])o1 ZINC000563726005 599773470 /nfs/dbraw/zinc/77/34/70/599773470.db2.gz WXHDQEFDEHPNNI-HNNXBMFYSA-N -1 1 315.369 3.632 20 0 DHADMM O=C([O-])c1coc(CSc2n[nH]c(CCC3CCCC3)n2)c1 ZINC000740269669 599804156 /nfs/dbraw/zinc/80/41/56/599804156.db2.gz TWIZGBMIXLCXOJ-UHFFFAOYSA-N -1 1 321.402 3.511 20 0 DHADMM O=C([O-])c1coc(CSc2nc(CCC3CCCC3)n[nH]2)c1 ZINC000740269669 599804157 /nfs/dbraw/zinc/80/41/57/599804157.db2.gz TWIZGBMIXLCXOJ-UHFFFAOYSA-N -1 1 321.402 3.511 20 0 DHADMM C[C@H](CN(Cc1csc(-c2cccs2)n1)C1CC1)C(=O)[O-] ZINC000574094029 599950169 /nfs/dbraw/zinc/95/01/69/599950169.db2.gz XSASSBUBOYQBEI-SNVBAGLBSA-N -1 1 322.455 3.557 20 0 DHADMM C[C@@H](N[C@@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1Cl ZINC000050509824 600241256 /nfs/dbraw/zinc/24/12/56/600241256.db2.gz AOWKHOCLTXQGKK-MEBBXXQBSA-N -1 1 307.752 3.956 20 0 DHADMM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CC[C@H](c2ccco2)C1 ZINC000739519281 600409822 /nfs/dbraw/zinc/40/98/22/600409822.db2.gz XRKKDFQXEQMSIW-SWLSCSKDSA-N -1 1 305.761 3.548 20 0 DHADMM O=C([O-])[C@H](c1cccc(Cl)c1)N1CC[C@H](c2ccco2)C1 ZINC000739519283 600409898 /nfs/dbraw/zinc/40/98/98/600409898.db2.gz XRKKDFQXEQMSIW-WFASDCNBSA-N -1 1 305.761 3.548 20 0 DHADMM O=C([O-])[C@H](N[C@@H]1CCc2cc(Cl)ccc21)c1ccccc1F ZINC000833166766 600743641 /nfs/dbraw/zinc/74/36/41/600743641.db2.gz JXKUADMBXALUOP-HZPDHXFCSA-N -1 1 319.763 3.882 20 0 DHADMM C[C@@H]1C[C@@H](c2ccccc2F)N(Cc2cc(C(=O)[O-])co2)C1 ZINC000580652986 600840228 /nfs/dbraw/zinc/84/02/28/600840228.db2.gz OOAJTFHNUYIBHG-BZNIZROVSA-N -1 1 303.333 3.700 20 0 DHADMM Cc1cccc(CN(CCC(=O)[O-])Cc2cccc(F)c2F)c1 ZINC000832967403 600861489 /nfs/dbraw/zinc/86/14/89/600861489.db2.gz AMTRQKFAZXLAFX-UHFFFAOYSA-N -1 1 319.351 3.750 20 0 DHADMM Cc1cc(CN2CC[C@@H](C)C[C@H]2c2ccco2)oc1C(=O)[O-] ZINC000652432507 600862117 /nfs/dbraw/zinc/86/21/17/600862117.db2.gz KTEATUWTXAVYQL-RISCZKNCSA-N -1 1 303.358 3.852 20 0 DHADMM Cc1cc(CN2CC[C@H](C)C[C@@H]2c2ccco2)oc1C(=O)[O-] ZINC000652432508 600862147 /nfs/dbraw/zinc/86/21/47/600862147.db2.gz KTEATUWTXAVYQL-SMDDNHRTSA-N -1 1 303.358 3.852 20 0 DHADMM COc1ccc(Cl)cc1CN(C)Cc1ccc(C(=O)[O-])cc1 ZINC000315528379 601024042 /nfs/dbraw/zinc/02/40/42/601024042.db2.gz FYEWZQPMOIUSEM-UHFFFAOYSA-N -1 1 319.788 3.679 20 0 DHADMM C[C@H]1CCN(Cc2cc(C(=O)[O-])co2)[C@@H]1c1cccc(F)c1 ZINC000574164081 601117854 /nfs/dbraw/zinc/11/78/54/601117854.db2.gz BLQSMIWKSWXXEA-ZBEGNZNMSA-N -1 1 303.333 3.700 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CNC1(c2ccc(F)cc2)CCC1 ZINC000830376070 601416274 /nfs/dbraw/zinc/41/62/74/601416274.db2.gz SZPCRKXVDLEFTF-UHFFFAOYSA-N -1 1 317.360 3.848 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN[C@@H](c1ncccc1C)C(C)C ZINC000830375307 601420076 /nfs/dbraw/zinc/42/00/76/601420076.db2.gz MCQTUMHWATWQOM-MRXNPFEDSA-N -1 1 316.401 3.731 20 0 DHADMM Cc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2ccccc2F)cc1F ZINC000832921396 601500152 /nfs/dbraw/zinc/50/01/52/601500152.db2.gz PWYLHYFGZRQGRV-BDJLRTHQSA-N -1 1 305.324 3.750 20 0 DHADMM C[C@@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1F ZINC000736663204 601511211 /nfs/dbraw/zinc/51/12/11/601511211.db2.gz WURFBNXQSSNTED-PSLIRLAXSA-N -1 1 309.287 3.580 20 0 DHADMM Cc1sc(C(=O)[O-])cc1CN1CCOc2ccccc2[C@H]1C ZINC000833032410 601626892 /nfs/dbraw/zinc/62/68/92/601626892.db2.gz ZFYVISPWFYAKKQ-LLVKDONJSA-N -1 1 317.410 3.710 20 0 DHADMM O=C([O-])c1ccc(CN2CCCc3sccc3C2)cc1F ZINC000659787446 601632634 /nfs/dbraw/zinc/63/26/34/601632634.db2.gz LCRWACJZZNVJCT-UHFFFAOYSA-N -1 1 305.374 3.534 20 0 DHADMM Cn1cccc1[C@H]1CCCCN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000833059543 601649824 /nfs/dbraw/zinc/64/98/24/601649824.db2.gz QZSMMBHZUOXILQ-QGZVFWFLSA-N -1 1 316.376 3.590 20 0 DHADMM Cc1nc(C)c([C@@H](C)N(C)Cc2ccc(C(=O)[O-])s2)s1 ZINC000571336336 601951053 /nfs/dbraw/zinc/95/10/53/601951053.db2.gz HCGBJLJRLMUQMO-SECBINFHSA-N -1 1 310.444 3.713 20 0 DHADMM C[C@H]1c2cc(Cl)c(Cl)cc2CCN1CCCC(=O)[O-] ZINC000828527023 602343806 /nfs/dbraw/zinc/34/38/06/602343806.db2.gz GVTMGEKFLQEPTB-VIFPVBQESA-N -1 1 302.201 3.777 20 0 DHADMM CCc1ncc(CN2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])s1 ZINC000833677611 604684410 /nfs/dbraw/zinc/68/44/10/604684410.db2.gz WNTAIALVRNSFOG-UKRRQHHQSA-N -1 1 322.474 3.561 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN(C)[C@@H](CC)c1ccncc1 ZINC000833679380 604720576 /nfs/dbraw/zinc/72/05/76/604720576.db2.gz YXRIFGPWERMMNE-AWEZNQCLSA-N -1 1 302.374 3.518 20 0 DHADMM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1Cc1occc1C(=O)[O-] ZINC000517382539 604721441 /nfs/dbraw/zinc/72/14/41/604721441.db2.gz YSRYLRTUPXRYIY-QWRGUYRKSA-N -1 1 303.333 3.625 20 0 DHADMM Cc1noc(C)c1[C@@H](C)N[C@H]1CCc2cc(NC(=O)[O-])ccc21 ZINC000833928605 605612174 /nfs/dbraw/zinc/61/21/74/605612174.db2.gz HGUNFUNKLWWFST-PSLIRLAXSA-N -1 1 315.373 3.719 20 0 DHADMM C[C@H](C(=O)[O-])[C@H](NCc1c(F)cccc1F)c1ccccc1 ZINC000833406853 605677514 /nfs/dbraw/zinc/67/75/14/605677514.db2.gz KCRXPVLGAWJYOH-ZBEGNZNMSA-N -1 1 305.324 3.516 20 0 DHADMM c1ccc([C@H](Nc2cccc(-c3nnn[n-]3)n2)C2CCCC2)cc1 ZINC000826520639 607898562 /nfs/dbraw/zinc/89/85/62/607898562.db2.gz OTCQZQKOTCFFQC-KRWDZBQOSA-N -1 1 320.400 3.605 20 0 DHADMM c1ccc([C@H](Nc2cccc(-c3nn[n-]n3)n2)C2CCCC2)cc1 ZINC000826520639 607898563 /nfs/dbraw/zinc/89/85/63/607898563.db2.gz OTCQZQKOTCFFQC-KRWDZBQOSA-N -1 1 320.400 3.605 20 0 DHADMM CCCCCC(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000825268001 607930426 /nfs/dbraw/zinc/93/04/26/607930426.db2.gz PSBHOMSGBOELGQ-UHFFFAOYSA-N -1 1 321.450 3.745 20 0 DHADMM CCCCCC(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000825268001 607930427 /nfs/dbraw/zinc/93/04/27/607930427.db2.gz PSBHOMSGBOELGQ-UHFFFAOYSA-N -1 1 321.450 3.745 20 0 DHADMM Cc1cc(Cl)ccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000826267545 608101285 /nfs/dbraw/zinc/10/12/85/608101285.db2.gz KJIVUEGFLWGTQC-UHFFFAOYSA-N -1 1 305.794 3.502 20 0 DHADMM Cc1ccc(C)c(Sc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000826285422 608170818 /nfs/dbraw/zinc/17/08/18/608170818.db2.gz ZKVPSYVSPBWJHO-UHFFFAOYSA-N -1 1 323.834 3.745 20 0 DHADMM Cc1ccc(C)c(Sc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000826285422 608170819 /nfs/dbraw/zinc/17/08/19/608170819.db2.gz ZKVPSYVSPBWJHO-UHFFFAOYSA-N -1 1 323.834 3.745 20 0 DHADMM CC1(C(=O)[O-])CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000062844042 948953049 /nfs/dbraw/zinc/95/30/49/948953049.db2.gz LGPOVOPAFXMRMV-UHFFFAOYSA-N -1 1 302.201 3.680 20 0 DHADMM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2cc(Cl)ccc2Cl)C1 ZINC000263138244 950287230 /nfs/dbraw/zinc/28/72/30/950287230.db2.gz DJTFSSBHDNIXEK-KOLCDFICSA-N -1 1 302.201 3.536 20 0 DHADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000263467265 950476680 /nfs/dbraw/zinc/47/66/80/950476680.db2.gz CWPVHSLLVYOCKO-ONGXEEELSA-N -1 1 319.298 3.530 20 0 DHADMM CCOc1cc(Cl)ccc1CNCc1cccc(C(=O)[O-])c1 ZINC001592185083 951311010 /nfs/dbraw/zinc/31/10/10/951311010.db2.gz ZZACWYWLSMISFQ-UHFFFAOYSA-N -1 1 319.788 3.727 20 0 DHADMM C[C@H](N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1cccnc1Cl ZINC001589123149 956144715 /nfs/dbraw/zinc/14/47/15/956144715.db2.gz IYPMIDWJRGDCHK-VQISRLSMSA-N -1 1 316.788 3.699 20 0 DHADMM O=C([O-])c1ccc(CN2CCC(CC(F)(F)F)CC2)s1 ZINC000903687549 956868188 /nfs/dbraw/zinc/86/81/88/956868188.db2.gz DXVRFQNHFSUUGQ-UHFFFAOYSA-N -1 1 307.337 3.611 20 0 DHADMM O=C(c1cncc([O-])c1)N1CCC[C@H]1CCC1CCCCC1 ZINC000339957393 1013167842 /nfs/dbraw/zinc/16/78/42/1013167842.db2.gz NJBGWYQEXRCDSC-INIZCTEOSA-N -1 1 302.418 3.752 20 0 DHADMM Cc1nc([C@H](C)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(C)s1 ZINC001594449826 959357467 /nfs/dbraw/zinc/35/74/67/959357467.db2.gz OBWQQSOVZCWHOL-TZTCFGBESA-N -1 1 316.426 3.724 20 0 DHADMM Cc1nc([C@H](C)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c(C)s1 ZINC001594449824 959357943 /nfs/dbraw/zinc/35/79/43/959357943.db2.gz OBWQQSOVZCWHOL-AMFBXLIHSA-N -1 1 316.426 3.724 20 0 DHADMM Cc1ccc(-n2[n-]c(Cc3ccccc3)c(C(C)C)c2=O)nc1 ZINC000634598955 1013230473 /nfs/dbraw/zinc/23/04/73/1013230473.db2.gz WVJNNRBSARAVGE-SFHVURJKSA-N -1 1 307.397 3.608 20 0 DHADMM Cc1nc(C(C)C)sc1C(=O)Nc1ccc([O-])c(F)c1F ZINC000519524460 1013351846 /nfs/dbraw/zinc/35/18/46/1013351846.db2.gz QKKDLZVNBWIRMH-UHFFFAOYSA-N -1 1 312.341 3.811 20 0 DHADMM Cc1cc([C@@H](C)NC(=O)c2c(F)ccc([O-])c2F)c(C)s1 ZINC000280773692 1013348738 /nfs/dbraw/zinc/34/87/38/1013348738.db2.gz MRHIXGOSYXPXSM-MRVPVSSYSA-N -1 1 311.353 3.840 20 0 DHADMM O=S(=O)([N-]c1ccc(F)cc1F)c1cccc(Cl)c1F ZINC000048652762 1013381437 /nfs/dbraw/zinc/38/14/37/1013381437.db2.gz LBRZRFUCUKYMCI-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM C[C@H]1CN(Cc2ccc(Cl)cc2Cl)CC[C@H]1C(=O)[O-] ZINC000311357481 963475066 /nfs/dbraw/zinc/47/50/66/963475066.db2.gz AGPWRIMOAUUVAW-JOYOIKCWSA-N -1 1 302.201 3.536 20 0 DHADMM O=C(CSc1ccc2c(c1)CCC2)Nc1ccc(F)cc1[O-] ZINC000340331909 1013495042 /nfs/dbraw/zinc/49/50/42/1013495042.db2.gz DTFQUPUBNHYBGP-UHFFFAOYSA-N -1 1 317.385 3.751 20 0 DHADMM COc1ccc(S[C@H](C)C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000340326793 1013496139 /nfs/dbraw/zinc/49/61/39/1013496139.db2.gz DHDYJNXCJLLEBG-SNVBAGLBSA-N -1 1 321.373 3.659 20 0 DHADMM Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(F)cc1[O-] ZINC000340332224 1013499748 /nfs/dbraw/zinc/49/97/48/1013499748.db2.gz ONQGGEKVFSJKRS-UHFFFAOYSA-N -1 1 314.238 3.506 20 0 DHADMM CO[C@@H](c1nc(-c2ccc([O-])c(F)c2)no1)C1CCCCC1 ZINC000664849218 1013499786 /nfs/dbraw/zinc/49/97/86/1013499786.db2.gz FVOSEPNVDOTKNY-CQSZACIVSA-N -1 1 306.337 3.849 20 0 DHADMM Cc1sc(C(=O)[O-])cc1CN(Cc1cccs1)C1CC1 ZINC000122745852 1013543669 /nfs/dbraw/zinc/54/36/69/1013543669.db2.gz SDOOSRICIVGLFO-UHFFFAOYSA-N -1 1 307.440 3.981 20 0 DHADMM CCCC[C@H](C(=O)[O-])N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000519708360 1013596155 /nfs/dbraw/zinc/59/61/55/1013596155.db2.gz OJJMAGGPQURPHO-CQSZACIVSA-N -1 1 316.228 3.995 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3cc4ccccc4o3)n2)c(F)c1 ZINC000683592081 1013696454 /nfs/dbraw/zinc/69/64/54/1013696454.db2.gz KFCNFZWEJBSESU-UHFFFAOYSA-N -1 1 310.284 3.918 20 0 DHADMM [O-]c1cccc(CN[C@@H](C[C@H]2CCCO2)C(F)(F)F)c1Cl ZINC000655854462 1013784961 /nfs/dbraw/zinc/78/49/61/1013784961.db2.gz VTIWZZUPLUHBBT-PWSUYJOCSA-N -1 1 323.742 3.635 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(C)(F)F)c2)cc1 ZINC000188557578 1013882932 /nfs/dbraw/zinc/88/29/32/1013882932.db2.gz YOLOIDXRUZMXQD-UHFFFAOYSA-N -1 1 311.353 3.908 20 0 DHADMM CCO[C@@H](CC)c1noc(-c2cc(Cl)c([O-])c(OC)c2)n1 ZINC000665037525 1013911278 /nfs/dbraw/zinc/91/12/78/1013911278.db2.gz BCCKVEVMORDTPM-JTQLQIEISA-N -1 1 312.753 3.592 20 0 DHADMM O=c1cc(C(F)(F)F)nc(S[C@@H]2CCc3ccccc32)[n-]1 ZINC000683738780 1013928931 /nfs/dbraw/zinc/92/89/31/1013928931.db2.gz IEXNQPNMFDMGAJ-SNVBAGLBSA-N -1 1 312.316 3.981 20 0 DHADMM Cc1cccc(CSCC(=O)Nc2c([O-])cccc2F)c1 ZINC000610339637 1013947789 /nfs/dbraw/zinc/94/77/89/1013947789.db2.gz AXUUMDMYIFEGDF-UHFFFAOYSA-N -1 1 305.374 3.712 20 0 DHADMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)C1CCC(F)(F)CC1 ZINC000655340378 1014084650 /nfs/dbraw/zinc/08/46/50/1014084650.db2.gz FLGGJTZUOKIHDR-QMMMGPOBSA-N -1 1 319.298 3.614 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1cc(F)c(F)cc1Cl ZINC000089541195 1014102932 /nfs/dbraw/zinc/10/29/32/1014102932.db2.gz XSZFISBAWOMECY-UHFFFAOYSA-N -1 1 301.651 3.715 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1c(F)cc(F)cc1F ZINC000086997447 1014121272 /nfs/dbraw/zinc/12/12/72/1014121272.db2.gz HCXZXBXTUICQOU-UHFFFAOYSA-N -1 1 301.651 3.715 20 0 DHADMM COc1cc(Cl)ccc1CN[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC001604720124 973923035 /nfs/dbraw/zinc/92/30/35/973923035.db2.gz UHWJIAUZJJYCPB-MRXNPFEDSA-N -1 1 319.788 3.573 20 0 DHADMM Cc1ccc2cc(CN[C@@H](C(=O)[O-])c3ccccc3F)ccc2n1 ZINC000426766880 974047494 /nfs/dbraw/zinc/04/74/94/974047494.db2.gz HTEGCNQIXSBWKF-GOSISDBHSA-N -1 1 324.355 3.598 20 0 DHADMM CCc1cccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)c1 ZINC000579598123 974879050 /nfs/dbraw/zinc/87/90/50/974879050.db2.gz RLBUQEOIHNDQDQ-UHFFFAOYSA-N -1 1 310.397 3.509 20 0 DHADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000582186995 974922127 /nfs/dbraw/zinc/92/21/27/974922127.db2.gz ZMDJATVWJLCJAU-LBPRGKRZSA-N -1 1 315.344 3.967 20 0 DHADMM O=C([O-])c1ccoc1CN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000583446085 974941189 /nfs/dbraw/zinc/94/11/89/974941189.db2.gz NRZAZKVMJBLEDF-GFCCVEGCSA-N -1 1 317.307 3.532 20 0 DHADMM O=C([O-])c1ccc(CN2CCCC(F)(F)CC2)cc1Cl ZINC000629368484 975086730 /nfs/dbraw/zinc/08/67/30/975086730.db2.gz OKJMONWDLKLFMG-UHFFFAOYSA-N -1 1 303.736 3.659 20 0 DHADMM Cc1cc([C@H](C)N2CCCc3sccc3C2)oc1C(=O)[O-] ZINC000652410876 975524178 /nfs/dbraw/zinc/52/41/78/975524178.db2.gz FWVOIYXVMAGNQH-NSHDSACASA-N -1 1 305.399 3.857 20 0 DHADMM COCc1ccc([C@@H]2CCCN2[C@H](C)c2ccc(C(=O)[O-])o2)o1 ZINC000652444223 975533853 /nfs/dbraw/zinc/53/38/53/975533853.db2.gz BRXGMBSHORZJRI-YPMHNXCESA-N -1 1 319.357 3.615 20 0 DHADMM Cc1c2cccc(C)c2oc1CN(C)Cc1ccc(C(=O)[O-])cn1 ZINC000652510967 975570590 /nfs/dbraw/zinc/57/05/90/975570590.db2.gz NDPWQBZJPALLNR-UHFFFAOYSA-N -1 1 324.380 3.775 20 0 DHADMM CC(C)c1[nH]c(CN2CC(Cc3ccccc3)C2)cc1C(=O)[O-] ZINC001591910336 976317005 /nfs/dbraw/zinc/31/70/05/976317005.db2.gz CHCYBUNGPBYWRP-UHFFFAOYSA-N -1 1 312.413 3.511 20 0 DHADMM C[C@@H]1C(=O)CC[C@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1(C)C ZINC000276015705 1014530896 /nfs/dbraw/zinc/53/08/96/1014530896.db2.gz UKTPPQCRZBTKQW-MWLCHTKSSA-N -1 1 309.793 3.626 20 0 DHADMM CC[C@H](N[C@@H](C(=O)[O-])c1ccc(Cl)cc1)c1c(C)noc1C ZINC001595276423 980300394 /nfs/dbraw/zinc/30/03/94/980300394.db2.gz HBPDVKFFDOEMSC-DZGCQCFKSA-N -1 1 322.792 3.811 20 0 DHADMM CC[C@H](N[C@@H](C(=O)[O-])c1ccsc1)c1cc(F)ccc1OC ZINC001595277676 980308308 /nfs/dbraw/zinc/30/83/08/980308308.db2.gz XTZPFAGYLIZCKQ-DZGCQCFKSA-N -1 1 323.389 3.762 20 0 DHADMM CC[C@@H](N[C@H](C)c1cncc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC001595281376 980333560 /nfs/dbraw/zinc/33/35/60/980333560.db2.gz MZWRUSFJKNCHOW-QLJPJBMISA-N -1 1 320.339 3.860 20 0 DHADMM CC[C@H](N[C@@H]1COc2ccc(C)cc21)c1ccc(C(=O)[O-])cc1 ZINC001595283822 980349589 /nfs/dbraw/zinc/34/95/89/980349589.db2.gz LJZGJALLOKAHQI-DLBZAZTESA-N -1 1 311.381 3.868 20 0 DHADMM CC(C)O[C@@H](CN[C@H](C(=O)[O-])c1cccs1)c1ccccc1 ZINC000901597020 980399071 /nfs/dbraw/zinc/39/90/71/980399071.db2.gz DKOOVXZNLUHAGF-HOCLYGCPSA-N -1 1 319.426 3.630 20 0 DHADMM CC[C@H](NCc1cccc(C(=O)[O-])c1)c1cc(F)ccc1F ZINC001595299856 980431293 /nfs/dbraw/zinc/43/12/93/980431293.db2.gz HTISPGXKCWOUCJ-INIZCTEOSA-N -1 1 305.324 3.904 20 0 DHADMM O=C([O-])CN(Cc1cnc(C2CCCC2)s1)C1CCCC1 ZINC000902039138 980709267 /nfs/dbraw/zinc/70/92/67/980709267.db2.gz ZUXCQQRPSIWQEO-UHFFFAOYSA-N -1 1 308.447 3.630 20 0 DHADMM CCc1oc(CNCc2c(C)cc(C)cc2C)cc1C(=O)[O-] ZINC000902107327 980737684 /nfs/dbraw/zinc/73/76/84/980737684.db2.gz ANVNOINTYVLRSJ-UHFFFAOYSA-N -1 1 301.386 3.755 20 0 DHADMM CC(C)(C)C[C@@H](NCc1cc(C(=O)[O-])no1)c1ccc(F)cc1 ZINC000902123744 980745471 /nfs/dbraw/zinc/74/54/71/980745471.db2.gz MRNPLKBOMMSHDS-OAHLLOKOSA-N -1 1 320.364 3.779 20 0 DHADMM Cc1cc(CN[C@@H]2CCc3c2cccc3Cl)oc1C(=O)[O-] ZINC000902177320 980770416 /nfs/dbraw/zinc/77/04/16/980770416.db2.gz YFKROYPDIYLOLD-CQSZACIVSA-N -1 1 305.761 3.717 20 0 DHADMM Cc1cc(CN[C@@H]2CCc3ccc(Cl)cc32)oc1C(=O)[O-] ZINC000902367380 980856518 /nfs/dbraw/zinc/85/65/18/980856518.db2.gz BNBYYRAKZDLVHG-CQSZACIVSA-N -1 1 305.761 3.717 20 0 DHADMM O=C([O-])/C=C/c1ccc(CNC2(c3cccc(F)c3)CCC2)o1 ZINC000902373736 980860296 /nfs/dbraw/zinc/86/02/96/980860296.db2.gz UCZASZPFYVYCLK-BQYQJAHWSA-N -1 1 315.344 3.686 20 0 DHADMM CSc1ccccc1[C@H](C)NCc1cc(C)c(C(=O)[O-])o1 ZINC000902383323 980865130 /nfs/dbraw/zinc/86/51/30/980865130.db2.gz WDGOBTZXYIQBID-NSHDSACASA-N -1 1 305.399 3.859 20 0 DHADMM Cc1cccc2c1CCC[C@H]2NCc1ccc(/C=C\C(=O)[O-])o1 ZINC000902464001 980900052 /nfs/dbraw/zinc/90/00/52/980900052.db2.gz FDPBLEOIJLEISU-RXQFDZFGSA-N -1 1 311.381 3.853 20 0 DHADMM CCc1oc(CN[C@@H](C)COCC2CCCCC2)cc1C(=O)[O-] ZINC000902572201 980939092 /nfs/dbraw/zinc/93/90/92/980939092.db2.gz JXVCWCIIAPJGGS-ZDUSSCGKSA-N -1 1 323.433 3.615 20 0 DHADMM O=C([O-])c1ccc(CNC2(c3ccccc3Cl)CC2)s1 ZINC000903690632 981014477 /nfs/dbraw/zinc/01/44/77/981014477.db2.gz LMWUQIXFRREYCM-UHFFFAOYSA-N -1 1 307.802 3.879 20 0 DHADMM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)c1ccccn1 ZINC000905756251 981143633 /nfs/dbraw/zinc/14/36/33/981143633.db2.gz WXDREIYLQFZVFS-YGRLFVJLSA-N -1 1 324.302 3.577 20 0 DHADMM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)c1ccccn1 ZINC000905756250 981143672 /nfs/dbraw/zinc/14/36/72/981143672.db2.gz WXDREIYLQFZVFS-QMTHXVAHSA-N -1 1 324.302 3.577 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)cc1C ZINC000442857127 1014758059 /nfs/dbraw/zinc/75/80/59/1014758059.db2.gz ZXSULOGIZOBRCM-UHFFFAOYSA-N -1 1 301.367 3.850 20 0 DHADMM CC(C)(CC(F)(F)F)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000834822339 1014772036 /nfs/dbraw/zinc/77/20/36/1014772036.db2.gz LGCCYXFVWOGFHL-UHFFFAOYSA-N -1 1 309.715 3.640 20 0 DHADMM CC[C@](C)(NCc1ccc(C(=O)[O-])c(C)c1)c1nccs1 ZINC001594852184 982091908 /nfs/dbraw/zinc/09/19/08/982091908.db2.gz FSAPCIIIYTWYRI-INIZCTEOSA-N -1 1 304.415 3.565 20 0 DHADMM COc1cc(C(=O)NCC2CCC(C)CC2)cc(Cl)c1[O-] ZINC000443345751 1014873848 /nfs/dbraw/zinc/87/38/48/1014873848.db2.gz NLEAEUUNGAYRGN-UHFFFAOYSA-N -1 1 311.809 3.610 20 0 DHADMM COC1(CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)CCC1 ZINC000581469895 1014879590 /nfs/dbraw/zinc/87/95/90/1014879590.db2.gz GVFJRNAYKNHZKJ-UHFFFAOYSA-N -1 1 316.426 3.819 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2cc(C)cnc2Cl)sc1C ZINC000276292956 1014916788 /nfs/dbraw/zinc/91/67/88/1014916788.db2.gz BRELDZCOILPBFS-UHFFFAOYSA-N -1 1 316.835 3.523 20 0 DHADMM O=C(CCc1cnc2ccccc2c1)Nc1c([O-])cccc1F ZINC000684293677 1014965831 /nfs/dbraw/zinc/96/58/31/1014965831.db2.gz PZPJIROKIODZQW-UHFFFAOYSA-N -1 1 310.328 3.651 20 0 DHADMM CCN(Cc1ccc(C(=O)[O-])c(F)c1)[C@H](C)c1cccnc1 ZINC001596357601 983829708 /nfs/dbraw/zinc/82/97/08/983829708.db2.gz KOPWPKZYPGRPPZ-GFCCVEGCSA-N -1 1 302.349 3.502 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N(Cc1ccc(F)cc1F)C1CC1 ZINC000093928793 1014988580 /nfs/dbraw/zinc/98/85/80/1014988580.db2.gz SUYUTENSPNFSLH-UHFFFAOYSA-N -1 1 321.298 3.614 20 0 DHADMM C[C@@H](c1ccco1)N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000093939832 1014989355 /nfs/dbraw/zinc/98/93/55/1014989355.db2.gz BSMSDMWSSSBAGQ-VIFPVBQESA-N -1 1 324.174 3.581 20 0 DHADMM CC[C@H]1c2ccsc2CCN1C(=O)c1cc(F)ccc1[O-] ZINC000093962575 1014992504 /nfs/dbraw/zinc/99/25/04/1014992504.db2.gz LHABFMFVSITRHR-ZDUSSCGKSA-N -1 1 305.374 3.742 20 0 DHADMM O=C(Nc1c([O-])cccc1F)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000605436856 1015006889 /nfs/dbraw/zinc/00/68/89/1015006889.db2.gz MSKFITAMJPRGBA-RKDXNWHRSA-N -1 1 305.271 3.839 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N(C1CC1)[C@H]1CCc2ccccc21 ZINC000094062681 1015012206 /nfs/dbraw/zinc/01/22/06/1015012206.db2.gz PFAHSZKRAYAXSR-KRWDZBQOSA-N -1 1 311.356 3.823 20 0 DHADMM Cc1ccc(C[C@H]2CCCN2C(=O)c2cc(F)ccc2[O-])cc1 ZINC000094139081 1015027396 /nfs/dbraw/zinc/02/73/96/1015027396.db2.gz UBCHIVCMQCSUNV-MRXNPFEDSA-N -1 1 313.372 3.687 20 0 DHADMM [O-]c1ccc(-c2noc(CC3CCC(F)(F)CC3)n2)c(F)c1 ZINC000624576770 1015074344 /nfs/dbraw/zinc/07/43/44/1015074344.db2.gz RFLHXTFFMWZKHQ-UHFFFAOYSA-N -1 1 312.291 3.949 20 0 DHADMM O=C(N[C@H]1CC[C@@H](c2ccc(F)cc2)C1)c1ccc([O-])c(F)c1 ZINC000684351647 1015098193 /nfs/dbraw/zinc/09/81/93/1015098193.db2.gz NPXRMMHFICBSCK-DOMZBBRYSA-N -1 1 317.335 3.737 20 0 DHADMM Cc1nc(S[C@H](C(=O)[O-])C(C)(C)C)[nH]c1-c1ccccc1 ZINC001599965320 985892882 /nfs/dbraw/zinc/89/28/82/985892882.db2.gz ABISFDIISWYDAD-CYBMUJFWSA-N -1 1 304.415 3.977 20 0 DHADMM Cc1[nH]c(S[C@H](CC(C)C)C(=O)[O-])nc1Cc1ccccc1 ZINC001599965430 985895078 /nfs/dbraw/zinc/89/50/78/985895078.db2.gz BRLXKGKCICXXAA-OAHLLOKOSA-N -1 1 318.442 3.900 20 0 DHADMM CCOC[C@H]1CCCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000313465648 1015180277 /nfs/dbraw/zinc/18/02/77/1015180277.db2.gz XRGHJMMHLOTQDN-OAHLLOKOSA-N -1 1 313.397 3.577 20 0 DHADMM Cc1ccc(-c2nc(-c3ccc([O-])c(C(N)=O)c3)cs2)c(C)c1 ZINC000008209864 1015361439 /nfs/dbraw/zinc/36/14/39/1015361439.db2.gz JCFNNJSHSNWXDB-UHFFFAOYSA-N -1 1 324.405 3.898 20 0 DHADMM CCc1ccc(C2=CCN(Cc3occc3C(=O)[O-])CC2)cc1 ZINC001597516648 988128580 /nfs/dbraw/zinc/12/85/80/988128580.db2.gz GNFLLCRGSTVTRY-UHFFFAOYSA-N -1 1 311.381 3.830 20 0 DHADMM CCc1ccccc1CNCc1cc(C(=O)[O-])ccc1Cl ZINC001597608957 988488453 /nfs/dbraw/zinc/48/84/53/988488453.db2.gz HAGASSZBCKDWGU-UHFFFAOYSA-N -1 1 303.789 3.890 20 0 DHADMM C[C@@H](NCc1cc(C(=O)[O-])ccc1F)c1ccc2c(c1)CCC2 ZINC001599841547 988843838 /nfs/dbraw/zinc/84/38/38/988843838.db2.gz QTEOQSZQQYQXNC-GFCCVEGCSA-N -1 1 313.372 3.863 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN1Cc2ccccc2C2(CC2)C1 ZINC001597767987 989227245 /nfs/dbraw/zinc/22/72/45/989227245.db2.gz YSPHQFCZMBJURI-UHFFFAOYSA-N -1 1 311.381 3.588 20 0 DHADMM CN(Cc1cc(C(=O)[O-])cs1)Cc1ccc(F)c(Cl)c1 ZINC001598517606 992637228 /nfs/dbraw/zinc/63/72/28/992637228.db2.gz OVMWNPWIOQPPBW-UHFFFAOYSA-N -1 1 313.781 3.871 20 0 DHADMM CC(C)Cn1ccnc1NCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001591526004 992702028 /nfs/dbraw/zinc/70/20/28/992702028.db2.gz RGDRBMDBJRVBOX-UHFFFAOYSA-N -1 1 307.781 3.503 20 0 DHADMM CC(C)N(Cc1nc(C(=O)[O-])cs1)[C@@H](C)c1ccccc1 ZINC001591603980 992840497 /nfs/dbraw/zinc/84/04/97/992840497.db2.gz GJRLXLJSSCVSCX-LBPRGKRZSA-N -1 1 304.415 3.813 20 0 DHADMM CCc1cc2c(CNc3ccc(F)cc3)cc(=O)oc2cc1[O-] ZINC000007382902 1015763814 /nfs/dbraw/zinc/76/38/14/1015763814.db2.gz RENMTZMCMXYPCS-UHFFFAOYSA-N -1 1 313.328 3.812 20 0 DHADMM C[C@H](NCc1ccc(-c2ccc(C(=O)[O-])cc2)o1)c1ccc[nH]1 ZINC001593293390 994684228 /nfs/dbraw/zinc/68/42/28/994684228.db2.gz VRNRISGKDFJNEG-LBPRGKRZSA-N -1 1 310.353 3.824 20 0 DHADMM C[C@H](NCc1occc1C(=O)[O-])c1ccccc1C(F)(F)F ZINC001593317308 994818373 /nfs/dbraw/zinc/81/83/73/994818373.db2.gz OTUKTYIEDVXQLY-VIFPVBQESA-N -1 1 313.275 3.847 20 0 DHADMM C[C@@H](N[C@@H](C)c1cncc(C(=O)[O-])c1)c1ccccc1Cl ZINC001593354493 994992536 /nfs/dbraw/zinc/99/25/36/994992536.db2.gz ROOHNRXEFXWJPH-WDEREUQCSA-N -1 1 304.777 3.845 20 0 DHADMM O=C([O-])CCCc1ccc(-c2cc(C(F)(F)F)n[nH]2)s1 ZINC000657203377 1016031065 /nfs/dbraw/zinc/03/10/65/1016031065.db2.gz SGNBYPZHASEHRI-UHFFFAOYSA-N -1 1 304.293 3.564 20 0 DHADMM CC1(C)CCc2ccccc2[C@@H](NCc2oncc2C(=O)[O-])C1 ZINC001593916643 996820738 /nfs/dbraw/zinc/82/07/38/996820738.db2.gz UNNKSLPJGOQUIU-HNNXBMFYSA-N -1 1 314.385 3.566 20 0 DHADMM CCc1nc(S[C@@H](C)C(=O)c2ccc(F)cc2)[n-]c(=O)c1C ZINC000657263639 1016136533 /nfs/dbraw/zinc/13/65/33/1016136533.db2.gz NDBZLJWGNQSTJV-JTQLQIEISA-N -1 1 320.389 3.556 20 0 DHADMM COCC[C@H](N[C@H](C)c1cc(C(=O)[O-])cs1)c1ccc(C)o1 ZINC001599218207 997619340 /nfs/dbraw/zinc/61/93/40/997619340.db2.gz OXVMNROICKWIIM-YPMHNXCESA-N -1 1 323.414 3.776 20 0 DHADMM CC[C@H](C)[C@H](NCc1ccc(-c2ccc(C)cc2)o1)C(=O)[O-] ZINC000277315625 1016191904 /nfs/dbraw/zinc/19/19/04/1016191904.db2.gz NPVSRDJNMLLAAG-GUYCJALGSA-N -1 1 301.386 3.844 20 0 DHADMM Cc1nc(-c2ccc(N[C@@H]3C[C@]3(C)C(C)C)nc2)[n-]c(=O)c1C ZINC000413436385 1016288075 /nfs/dbraw/zinc/28/80/75/1016288075.db2.gz NDQFQHDQOZQEJV-RDTXWAMCSA-N -1 1 312.417 3.708 20 0 DHADMM C[C@@H]1CCN(Cc2ccc(F)c(Cl)c2Cl)[C@@H](C(=O)[O-])C1 ZINC001594423768 999583647 /nfs/dbraw/zinc/58/36/47/999583647.db2.gz GXQAKGOJBFFDTG-LDYMZIIASA-N -1 1 320.191 3.818 20 0 DHADMM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1ccc([O-])c(F)c1 ZINC000684777518 1016438383 /nfs/dbraw/zinc/43/83/83/1016438383.db2.gz RIECMLDDWYHDDT-IINYFYTJSA-N -1 1 323.726 3.610 20 0 DHADMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1ncoc1C1CC1 ZINC000346549782 1016451276 /nfs/dbraw/zinc/45/12/76/1016451276.db2.gz MQNGGNLKPZASPD-UHFFFAOYSA-N -1 1 309.325 3.768 20 0 DHADMM C[C@@H](c1noc(-c2[n-]cnc2C(=O)c2ccccc2)n1)C(C)(C)C ZINC000346555696 1016455205 /nfs/dbraw/zinc/45/52/05/1016455205.db2.gz CXAXIEZIJFKYEW-NSHDSACASA-N -1 1 324.384 3.840 20 0 DHADMM CC(C)Oc1ncc(Cl)cc1NC(=O)c1cc(F)ccc1[O-] ZINC000622649122 1016506408 /nfs/dbraw/zinc/50/64/08/1016506408.db2.gz BNLLYRUBSNGDNJ-UHFFFAOYSA-N -1 1 324.739 3.619 20 0 DHADMM O=C(NC1CCCCCC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684868995 1016742665 /nfs/dbraw/zinc/74/26/65/1016742665.db2.gz MCVFJPNNOJDFTR-UHFFFAOYSA-N -1 1 301.308 3.864 20 0 DHADMM CC[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684868921 1016743851 /nfs/dbraw/zinc/74/38/51/1016743851.db2.gz JVJXGHFKGMGIDX-LLVKDONJSA-N -1 1 301.308 3.816 20 0 DHADMM Cc1ccc(CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)cc1 ZINC000684870149 1016746627 /nfs/dbraw/zinc/74/66/27/1016746627.db2.gz PELWJNNOJCUZDQ-UHFFFAOYSA-N -1 1 309.287 3.649 20 0 DHADMM Cc1nc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)sc1C ZINC000684872642 1016759139 /nfs/dbraw/zinc/75/91/39/1016759139.db2.gz GXGBVXIQFRJTOM-UHFFFAOYSA-N -1 1 316.304 3.737 20 0 DHADMM C[C@H](C1CC1)N(C(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CC1 ZINC000684872193 1016755598 /nfs/dbraw/zinc/75/55/98/1016755598.db2.gz RUQDGCVJPMADNS-SECBINFHSA-N -1 1 313.319 3.814 20 0 DHADMM CC1(C(=O)[O-])CCN(Cc2cccc(Cl)c2Cl)CC1 ZINC000086776653 1016887877 /nfs/dbraw/zinc/88/78/77/1016887877.db2.gz YZLJHGYXIOJTED-UHFFFAOYSA-N -1 1 302.201 3.680 20 0 DHADMM CCc1cc(OCC(=O)Nc2c([O-])cccc2F)ccc1Cl ZINC001146492564 1032221890 /nfs/dbraw/zinc/22/18/90/1032221890.db2.gz NXWYKEFBKYXYQS-UHFFFAOYSA-N -1 1 323.751 3.765 20 0 DHADMM CCCN(C(=O)c1ccc(F)c([O-])c1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001147225974 1032294996 /nfs/dbraw/zinc/29/49/96/1032294996.db2.gz CFTGZGCACHEYAA-HZPDHXFCSA-N -1 1 323.408 3.587 20 0 DHADMM O=C(NCOc1ccccc1)c1cccc(-c2ccccc2)c1[O-] ZINC001148872975 1032451322 /nfs/dbraw/zinc/45/13/22/1032451322.db2.gz OGUNEDVFOLMDQH-UHFFFAOYSA-N -1 1 319.360 3.826 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cnc4cnccc4c3)n2)c(Cl)c1 ZINC000350566510 1017298611 /nfs/dbraw/zinc/29/86/11/1017298611.db2.gz CLEMAFYDWZPUIS-UHFFFAOYSA-N -1 1 324.727 3.706 20 0 DHADMM O=S(=O)([N-]c1ccccc1C(F)F)c1ccc2c(c1)CCC2 ZINC000424061663 1011896828 /nfs/dbraw/zinc/89/68/28/1011896828.db2.gz FTVCNOUTHCSBAM-UHFFFAOYSA-N -1 1 323.364 3.914 20 0 DHADMM C[C@H]1CCCN(Cc2ccc(-c3ccccc3F)o2)[C@H]1C(=O)[O-] ZINC000424417987 1012015561 /nfs/dbraw/zinc/01/55/61/1012015561.db2.gz MZEQVDBAZYNSGQ-YVEFUNNKSA-N -1 1 317.360 3.771 20 0 DHADMM C[C@H]1CCCN(Cc2cc(C(F)(F)F)ccc2F)[C@H]1C(=O)[O-] ZINC000424423740 1012017841 /nfs/dbraw/zinc/01/78/41/1012017841.db2.gz VNVPKDBAKNXSBF-TVQRCGJNSA-N -1 1 319.298 3.530 20 0 DHADMM O=C1c2ccc([O-])cc2C/C1=C\c1ccc([N+](=O)[O-])cc1Cl ZINC000187230654 1012100296 /nfs/dbraw/zinc/10/02/96/1012100296.db2.gz QHWMYBMWSIVHML-VZUCSPMQSA-N -1 1 315.712 3.776 20 0 DHADMM CC(C)c1c(Cc2ccccc2)[n-]n(C2CCSCC2)c1=O ZINC000887293155 1032604321 /nfs/dbraw/zinc/60/43/21/1032604321.db2.gz UHXDQNWWTLFSHM-QGZVFWFLSA-N -1 1 316.470 3.595 20 0 DHADMM C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@H](C)C1 ZINC000425035191 1012194702 /nfs/dbraw/zinc/19/47/02/1012194702.db2.gz HNLGQTWCICGVJW-NXEZZACHSA-N -1 1 301.308 3.672 20 0 DHADMM O=C([O-])[C@H](NCc1coc2ccccc12)c1cc(F)ccc1F ZINC000683173412 1012249090 /nfs/dbraw/zinc/24/90/90/1012249090.db2.gz MERMYSYEDSEFKX-MRXNPFEDSA-N -1 1 317.291 3.627 20 0 DHADMM CC(C)c1nc2cc([N-]S(=O)(=O)c3ccccc3)ccc2o1 ZINC000032097600 1012428719 /nfs/dbraw/zinc/42/87/19/1012428719.db2.gz QSQNOMDMVTYTON-UHFFFAOYSA-N -1 1 316.382 3.752 20 0 DHADMM CC[C@H]1CC[C@@H](C)[N@H+]1Cc1nc2cc(C(=O)[O-])ccc2n1CC ZINC000516873011 1012850302 /nfs/dbraw/zinc/85/03/02/1012850302.db2.gz YJLXMLMKZOUOAY-OCCSQVGLSA-N -1 1 315.417 3.517 20 0 DHADMM O=C(NC1(c2ccc(Cl)c(Cl)c2)CC1)c1cncc([O-])c1 ZINC000339833477 1012908233 /nfs/dbraw/zinc/90/82/33/1012908233.db2.gz UCSGCVPYYCGPBP-UHFFFAOYSA-N -1 1 323.179 3.513 20 0 DHADMM CC(C)COc1ccc(NC(=O)c2cncc([O-])c2)cc1Cl ZINC000339833472 1012910313 /nfs/dbraw/zinc/91/03/13/1012910313.db2.gz IDTNUMMVCISLRP-UHFFFAOYSA-N -1 1 320.776 3.728 20 0 DHADMM CC[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])[C@@H](CC)CO1 ZINC000403943893 1017220751 /nfs/dbraw/zinc/22/07/51/1017220751.db2.gz WQWULBZWOSDQCH-HOTGVXAUSA-N -1 1 313.397 3.575 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cnc2ccc(F)cc2c1 ZINC000179940943 1017328844 /nfs/dbraw/zinc/32/88/44/1017328844.db2.gz YGNKCJUTOQCFPQ-UHFFFAOYSA-N -1 1 316.719 3.985 20 0 DHADMM Cc1ccc(C)c(CN(C)C(=O)c2c([O-])cccc2Cl)c1 ZINC000760548258 1032692268 /nfs/dbraw/zinc/69/22/68/1032692268.db2.gz NEUFWIFKTKDXBO-UHFFFAOYSA-N -1 1 303.789 3.935 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000456787611 1017429854 /nfs/dbraw/zinc/42/98/54/1017429854.db2.gz QQPKKPVPXRGMIV-NKWVEPMBSA-N -1 1 309.234 3.588 20 0 DHADMM O=C([O-])C[C@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1 ZINC000038027510 1017517877 /nfs/dbraw/zinc/51/78/77/1017517877.db2.gz SGDPXGBVFRDJFA-LLVKDONJSA-N -1 1 302.201 3.823 20 0 DHADMM Cc1cccc([C@@H](C)C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000523525714 1017723883 /nfs/dbraw/zinc/72/38/83/1017723883.db2.gz CKPUKZZMQORMNI-CYBMUJFWSA-N -1 1 321.380 3.833 20 0 DHADMM CC(C)c1ccc(C[C@@H]2CCN(C(=O)c3cncc([O-])c3)C2)cc1 ZINC000354704069 1017751742 /nfs/dbraw/zinc/75/17/42/1017751742.db2.gz VWQWJZHWTUZIJA-INIZCTEOSA-N -1 1 324.424 3.615 20 0 DHADMM O=C(N[C@H]1CC12CCCCC2)c1ccc(Br)c([O-])c1 ZINC000181486680 1017755682 /nfs/dbraw/zinc/75/56/82/1017755682.db2.gz BDEDCTMKHQZTMS-ZDUSSCGKSA-N -1 1 324.218 3.607 20 0 DHADMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000171013759 1017811500 /nfs/dbraw/zinc/81/15/00/1017811500.db2.gz RTKJRWOJIMTTAG-CYBMUJFWSA-N -1 1 305.399 3.503 20 0 DHADMM Cc1cncc(/C=C\c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445448694 1017856276 /nfs/dbraw/zinc/85/62/76/1017856276.db2.gz SPZZTEDYTOCVFV-DJWKRKHSSA-N -1 1 313.744 3.969 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cccc4c[nH]nc43)n2)c(Cl)c1 ZINC000445443153 1017863944 /nfs/dbraw/zinc/86/39/44/1017863944.db2.gz BETIIHJNNRYBPP-UHFFFAOYSA-N -1 1 312.716 3.639 20 0 DHADMM Cc1ccc(C)c(OCc2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445483899 1017875273 /nfs/dbraw/zinc/87/52/73/1017875273.db2.gz XJSVYQXITMPFGE-UHFFFAOYSA-N -1 1 314.316 3.777 20 0 DHADMM [O-]c1ccc(-c2noc(C3(c4ccc(F)cc4)CC3)n2)cc1F ZINC000445486038 1017878162 /nfs/dbraw/zinc/87/81/62/1017878162.db2.gz HQJLANBEJJSYSC-UHFFFAOYSA-N -1 1 314.291 3.800 20 0 DHADMM CCO[C@@H](C)c1ncc(C(=O)[N-]c2cnccc2SC)s1 ZINC000674256643 1017904004 /nfs/dbraw/zinc/90/40/04/1017904004.db2.gz MXUWLFDQHJFWEX-VIFPVBQESA-N -1 1 323.443 3.610 20 0 DHADMM CSc1ccncc1[N-]C(=O)c1cnc(-c2ccco2)s1 ZINC000674257552 1017905956 /nfs/dbraw/zinc/90/59/56/1017905956.db2.gz PJBZZNXQMXXVDF-UHFFFAOYSA-N -1 1 317.395 3.772 20 0 DHADMM CCC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000033771142 1017927330 /nfs/dbraw/zinc/92/73/30/1017927330.db2.gz UXKBNUDLZKTASG-LURJTMIESA-N -1 1 302.248 3.522 20 0 DHADMM CCN(C(=O)c1ncccc1[O-])[C@H](C)c1cc2ccccc2o1 ZINC000153651771 1017928292 /nfs/dbraw/zinc/92/82/92/1017928292.db2.gz VJMQZYNAYBVNSY-GFCCVEGCSA-N -1 1 310.353 3.757 20 0 DHADMM Cc1ccc2c(c1)C(=O)N(C)[C@H](c1ccc([O-])c(Cl)c1)N2 ZINC000153673600 1017954851 /nfs/dbraw/zinc/95/48/51/1017954851.db2.gz OZSZLTLVCMVZOO-OAHLLOKOSA-N -1 1 302.761 3.550 20 0 DHADMM COc1cc(C(=O)NC2(C)CCC(C)CC2)cc(Cl)c1[O-] ZINC000153714064 1017985728 /nfs/dbraw/zinc/98/57/28/1017985728.db2.gz PSNMXZBDYRRMSA-UHFFFAOYSA-N -1 1 311.809 3.753 20 0 DHADMM CCc1cccc(S(=O)(=O)[N-]c2ccccc2CSC)c1 ZINC000184031160 1018056284 /nfs/dbraw/zinc/05/62/84/1018056284.db2.gz JPXCLNYRLBWLBH-UHFFFAOYSA-N -1 1 321.467 3.913 20 0 DHADMM Cc1c(=O)[n-]c(SCC(=O)C2CCC2)nc1-c1ccccc1 ZINC000278092436 1018079949 /nfs/dbraw/zinc/07/99/49/1018079949.db2.gz YLMVVKFVMKOGHR-UHFFFAOYSA-N -1 1 314.410 3.619 20 0 DHADMM Cc1c([N-]S(=O)(=O)c2cccc(C(C)C)c2)[nH]nc1C(C)C ZINC000647278793 1018163938 /nfs/dbraw/zinc/16/39/38/1018163938.db2.gz HKHPQBFTOAIICZ-UHFFFAOYSA-N -1 1 321.446 3.766 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N1CCOC2(C1)CCCCCC2 ZINC000764340988 1018250735 /nfs/dbraw/zinc/25/07/35/1018250735.db2.gz ACIOMMBBEAHPLI-UHFFFAOYSA-N -1 1 323.820 3.611 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC2(CC2(F)F)CC1 ZINC000404806349 1018310202 /nfs/dbraw/zinc/31/02/02/1018310202.db2.gz YPVKPMDTDRCQDT-UHFFFAOYSA-N -1 1 317.335 3.807 20 0 DHADMM O=C1[N-]C(=S)SC1=Cc1ccc(OC(F)(F)F)cc1 ZINC000056668856 1018336175 /nfs/dbraw/zinc/33/61/75/1018336175.db2.gz ZQPPNIWVGZZPJT-VMPITWQZSA-N -1 1 305.302 3.914 20 0 DHADMM COc1cc(C)cc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1C ZINC000447264498 1018360567 /nfs/dbraw/zinc/36/05/67/1018360567.db2.gz NONHJFXNSVXFCG-UHFFFAOYSA-N -1 1 319.426 3.730 20 0 DHADMM O=S(=O)([N-]c1ccccc1)c1ccc(C(F)(F)F)c(F)c1 ZINC000447785068 1018474706 /nfs/dbraw/zinc/47/47/06/1018474706.db2.gz GUYAAXUQCWGYBS-UHFFFAOYSA-N -1 1 319.279 3.645 20 0 DHADMM Cc1nc(Br)ccc1Nc1ccnc(Cl)c1[O-] ZINC001212563263 1018490354 /nfs/dbraw/zinc/49/03/54/1018490354.db2.gz MKTFSYAXMHLRLK-UHFFFAOYSA-N -1 1 314.570 3.650 20 0 DHADMM Cc1nc(Br)ccc1Nc1ccc(F)c(F)c1[O-] ZINC001212565602 1018502190 /nfs/dbraw/zinc/50/21/90/1018502190.db2.gz APVQTLDJLHDJBS-UHFFFAOYSA-N -1 1 315.117 3.880 20 0 DHADMM COc1ccc(Cl)c(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000565043816 1018516223 /nfs/dbraw/zinc/51/62/23/1018516223.db2.gz LBHAZIUCCWJFCU-CYBMUJFWSA-N -1 1 311.809 3.568 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1cc(-c2ccc(F)cc2)on1 ZINC000675600984 1018528145 /nfs/dbraw/zinc/52/81/45/1018528145.db2.gz PTQMXKYVQBUZIN-UHFFFAOYSA-N -1 1 316.263 3.578 20 0 DHADMM COc1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])c(F)c1 ZINC001171527506 1032770776 /nfs/dbraw/zinc/77/07/76/1032770776.db2.gz BFVGWOWXOSQJDW-UHFFFAOYSA-N -1 1 303.333 3.916 20 0 DHADMM O=C(NCC[C@H]1CC=CCC1)c1ccc2ccc(O)cc2c1[O-] ZINC001171557094 1032778294 /nfs/dbraw/zinc/77/82/94/1032778294.db2.gz MDDVGEVZMQXQGL-ZDUSSCGKSA-N -1 1 311.381 3.727 20 0 DHADMM C[C@@H](SCc1ccccc1)C(=O)Nc1cccc(F)c1[O-] ZINC001302487800 1018937995 /nfs/dbraw/zinc/93/79/95/1018937995.db2.gz ZLUAOUKTHJJIAA-LLVKDONJSA-N -1 1 305.374 3.792 20 0 DHADMM O=C([O-])c1ccc(Cl)c(CN2CCC[C@H](OC3CCC3)C2)c1 ZINC000656192222 1018941323 /nfs/dbraw/zinc/94/13/23/1018941323.db2.gz ZFHVKTSAXACFRS-HNNXBMFYSA-N -1 1 323.820 3.572 20 0 DHADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1 ZINC000007405423 1019027718 /nfs/dbraw/zinc/02/77/18/1019027718.db2.gz VNUXZWDOZCANTQ-UHFFFAOYSA-N -1 1 311.353 3.718 20 0 DHADMM CCOc1cc(C(=O)NCc2ccc(F)cc2)cc(Cl)c1[O-] ZINC000192725494 1032808151 /nfs/dbraw/zinc/80/81/51/1032808151.db2.gz BYTMWUULGRHMBZ-UHFFFAOYSA-N -1 1 323.751 3.513 20 0 DHADMM CCOCc1ccc([N-]S(=O)(=O)c2cccc(CC)c2)cc1 ZINC000080940724 1019132065 /nfs/dbraw/zinc/13/20/65/1019132065.db2.gz SUZILMDHVOYTLL-UHFFFAOYSA-N -1 1 319.426 3.586 20 0 DHADMM O=S(=O)([N-]CC1CCCC1)c1cc(Cl)sc1Cl ZINC000026847411 1019134033 /nfs/dbraw/zinc/13/40/33/1019134033.db2.gz KPBXRRMCZARTQK-UHFFFAOYSA-N -1 1 314.259 3.523 20 0 DHADMM CCCOc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2C)cc1 ZINC000029046475 1019164824 /nfs/dbraw/zinc/16/48/24/1019164824.db2.gz MKYRRYCBDVYFIG-UHFFFAOYSA-N -1 1 323.389 3.724 20 0 DHADMM CCCCc1nc(CN2CCC[C@](CC)(C(=O)[O-])C2)cs1 ZINC000923470234 1019220763 /nfs/dbraw/zinc/22/07/63/1019220763.db2.gz JRYXBALMRPGIBE-INIZCTEOSA-N -1 1 310.463 3.563 20 0 DHADMM O=C(Nc1cccc(OCc2ccccn2)c1)c1ccccc1[O-] ZINC000031456175 1019222627 /nfs/dbraw/zinc/22/26/27/1019222627.db2.gz UMIQYIRNPBYECK-UHFFFAOYSA-N -1 1 320.348 3.619 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1F ZINC000031665951 1019227566 /nfs/dbraw/zinc/22/75/66/1019227566.db2.gz YFYDLWAWRIBMCM-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM Cc1cc([C@@H](C)NC(=O)c2ncc3ccccc3c2[O-])c(C)o1 ZINC001626051491 1019290180 /nfs/dbraw/zinc/29/01/80/1019290180.db2.gz OKCMGJDWNIPGIQ-LLVKDONJSA-N -1 1 310.353 3.641 20 0 DHADMM O=C(Nc1ccc(Br)c([O-])c1)[C@@H]1C[C@H]1C1CCC1 ZINC001118246346 1019360797 /nfs/dbraw/zinc/36/07/97/1019360797.db2.gz QYYSPSPASNHHOQ-WDEREUQCSA-N -1 1 310.191 3.529 20 0 DHADMM Cc1ccc(OCCN(C)C(=O)c2c([O-])cccc2Cl)cc1 ZINC000143619735 1019413909 /nfs/dbraw/zinc/41/39/09/1019413909.db2.gz XQUPSHXQVPEJRK-UHFFFAOYSA-N -1 1 319.788 3.505 20 0 DHADMM COc1ccc2c(cccc2-c2noc(-c3ncccc3[O-])n2)c1 ZINC001212480787 1019417973 /nfs/dbraw/zinc/41/79/73/1019417973.db2.gz ISLUJYIXMKNQJJ-UHFFFAOYSA-N -1 1 319.320 3.666 20 0 DHADMM CC(C)(C)Oc1ccc(-c2noc(-c3ncccc3[O-])n2)cc1 ZINC001212480842 1019418423 /nfs/dbraw/zinc/41/84/23/1019418423.db2.gz LWNKHOHVZZSPTK-UHFFFAOYSA-N -1 1 311.341 3.682 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)sc1C ZINC000091017302 1019428908 /nfs/dbraw/zinc/42/89/08/1019428908.db2.gz FOVIQMYLLCRSPM-UHFFFAOYSA-N -1 1 321.345 3.583 20 0 DHADMM Cc1onc(-c2cccs2)c1C(=O)Nc1cccc(F)c1[O-] ZINC001171638285 1032833215 /nfs/dbraw/zinc/83/32/15/1032833215.db2.gz VFQVCOOOOPPTMP-UHFFFAOYSA-N -1 1 318.329 3.809 20 0 DHADMM CC(C)n1cc([N-]c2nn3cc(-c4ccccc4)nc3s2)cn1 ZINC000727433348 1019713859 /nfs/dbraw/zinc/71/38/59/1019713859.db2.gz SUQAKIQIUSLOPJ-UHFFFAOYSA-N -1 1 324.413 3.979 20 0 DHADMM [O-]c1ccc(-c2noc(-c3ncoc3-c3ccccc3)n2)cc1F ZINC000685366399 1019772432 /nfs/dbraw/zinc/77/24/32/1019772432.db2.gz VROAQRRSBVKKHX-UHFFFAOYSA-N -1 1 323.283 3.903 20 0 DHADMM CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000673404063 1019881691 /nfs/dbraw/zinc/88/16/91/1019881691.db2.gz WQYZETOOWRBLLZ-MRXNPFEDSA-N -1 1 317.360 3.763 20 0 DHADMM Cc1ncc(COC(=O)c2ccc(Cl)c(Cl)c2[O-])s1 ZINC000730360363 1019980237 /nfs/dbraw/zinc/98/02/37/1019980237.db2.gz SQVPJQPNUPPHKK-UHFFFAOYSA-N -1 1 318.181 3.821 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N1CCCc2ccccc2C1 ZINC000730291945 1019971167 /nfs/dbraw/zinc/97/11/67/1019971167.db2.gz XGTOVTATNIZPBC-UHFFFAOYSA-N -1 1 301.773 3.634 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N1CCCc2sccc2C1 ZINC000730591961 1020007527 /nfs/dbraw/zinc/00/75/27/1020007527.db2.gz XJMBIXUCWYKMJC-UHFFFAOYSA-N -1 1 307.802 3.696 20 0 DHADMM C[C@@]1(C(=O)[O-])CCCN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000086782758 1020174611 /nfs/dbraw/zinc/17/46/11/1020174611.db2.gz WUBMGOYCDQUPKA-CQSZACIVSA-N -1 1 302.201 3.680 20 0 DHADMM COc1ccc(OC)c(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000191369974 1020210779 /nfs/dbraw/zinc/21/07/79/1020210779.db2.gz QOFKNADPSAFKQT-UHFFFAOYSA-N -1 1 311.740 3.814 20 0 DHADMM O=c1ccn(-c2ccc(Nc3ccc(Cl)cc3O)cc2)[n-]1 ZINC001214413996 1020221775 /nfs/dbraw/zinc/22/17/75/1020221775.db2.gz RBAYFNFAYYOLCX-UHFFFAOYSA-N -1 1 301.733 3.681 20 0 DHADMM CC(C)(C)C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001212404361 1020342236 /nfs/dbraw/zinc/34/22/36/1020342236.db2.gz AFBZLSAPGMQCGF-JOYOIKCWSA-N -1 1 319.829 3.582 20 0 DHADMM O=C(N[C@H]1C[C@@H]1c1c(F)cccc1F)c1c([O-])cccc1Cl ZINC000734873168 1020672500 /nfs/dbraw/zinc/67/25/00/1020672500.db2.gz XJRKYXSCSCOPQH-UFBFGSQYSA-N -1 1 323.726 3.610 20 0 DHADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(C3CC3)cc2)[n-]c1=O ZINC000414076741 1020852421 /nfs/dbraw/zinc/85/24/21/1020852421.db2.gz PBVMBNWLDUCWKG-BENRWUELSA-N -1 1 324.380 3.797 20 0 DHADMM CSc1ccc2cc(CN(C)CCC(=O)[O-])c(Cl)nc2c1 ZINC000738147116 1020862138 /nfs/dbraw/zinc/86/21/38/1020862138.db2.gz YZHARJMMMLSGPS-UHFFFAOYSA-N -1 1 324.833 3.517 20 0 DHADMM O=C(c1cccc([O-])c1F)N1CCC[C@@](F)(c2ccccc2)C1 ZINC001171943812 1032947501 /nfs/dbraw/zinc/94/75/01/1032947501.db2.gz FCHSULTVMBQHPU-SFHVURJKSA-N -1 1 317.335 3.632 20 0 DHADMM CCCCC1CCC(C(=O)NCc2n[n-]c(=S)n2CC)CC1 ZINC000066637209 1021002186 /nfs/dbraw/zinc/00/21/86/1021002186.db2.gz MNGIOTBCPZDUES-UHFFFAOYSA-N -1 1 324.494 3.573 20 0 DHADMM [O-]c1cc(F)c(-c2ccc(OCC(F)(F)F)nc2)c(F)c1 ZINC001241123064 1021071051 /nfs/dbraw/zinc/07/10/51/1021071051.db2.gz STQVLPGKYRCBSM-UHFFFAOYSA-N -1 1 305.202 3.674 20 0 DHADMM COc1cc(C(F)(F)F)c(-c2c(F)cc([O-])cc2F)cn1 ZINC001241125042 1021074381 /nfs/dbraw/zinc/07/43/81/1021074381.db2.gz QNSIBFVDVZYGTF-UHFFFAOYSA-N -1 1 305.202 3.760 20 0 DHADMM Cc1ccc(OCC(=O)Nc2ccc([O-])c(Cl)c2)c(C)c1 ZINC000067738991 1021196032 /nfs/dbraw/zinc/19/60/32/1021196032.db2.gz JVMCHMHWQWTECW-UHFFFAOYSA-N -1 1 305.761 3.680 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CCC(c2ccc(F)cc2)CC1 ZINC000164624333 1021272067 /nfs/dbraw/zinc/27/20/67/1021272067.db2.gz KATHZTHJLMOHAZ-UHFFFAOYSA-N -1 1 317.335 3.690 20 0 DHADMM Cc1ccc(O[C@@H](C)CNC(=O)c2c([O-])cccc2Cl)cc1 ZINC000743719974 1021355463 /nfs/dbraw/zinc/35/54/63/1021355463.db2.gz FVGVOOYHEUIONH-LBPRGKRZSA-N -1 1 319.788 3.551 20 0 DHADMM [O-]c1ccc(CN2CCc3cccc(Cl)c3C2)c(F)c1F ZINC001140892451 1021449301 /nfs/dbraw/zinc/44/93/01/1021449301.db2.gz NSXWFOJWQVBZLJ-UHFFFAOYSA-N -1 1 309.743 3.882 20 0 DHADMM CC(C)c1nocc1C(=O)[N-]c1nnc(C2CCCCC2)s1 ZINC000858693296 1032982472 /nfs/dbraw/zinc/98/24/72/1032982472.db2.gz LHIAKNJPBCVLIP-UHFFFAOYSA-N -1 1 320.418 3.950 20 0 DHADMM CC(C)(C)c1csc(C(=O)[N-]c2nc(C(C)(C)C)ns2)n1 ZINC001125848644 1021492254 /nfs/dbraw/zinc/49/22/54/1021492254.db2.gz LDKWIKJWNGWLLN-UHFFFAOYSA-N -1 1 324.475 3.842 20 0 DHADMM O=C(OCC(F)(F)C(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000744976362 1021631671 /nfs/dbraw/zinc/63/16/71/1021631671.db2.gz JMCXKDSOCLAJIX-UHFFFAOYSA-N -1 1 321.053 3.756 20 0 DHADMM Cc1ccc2cc(C(=O)Nc3cc([O-])c(F)cc3F)[nH]c2c1 ZINC001625888915 1021640820 /nfs/dbraw/zinc/64/08/20/1021640820.db2.gz KPZTWYZCVNTMCO-UHFFFAOYSA-N -1 1 302.280 3.712 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H]2CCC[C@H](C)C2)c1 ZINC000745156814 1021668320 /nfs/dbraw/zinc/66/83/20/1021668320.db2.gz LYPZSZREZFIVFE-BLLLJJGKSA-N -1 1 304.386 3.507 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)/C=C(/C)C(C)(C)C)c1 ZINC000745599626 1021742500 /nfs/dbraw/zinc/74/25/00/1021742500.db2.gz JVXQLBJOAGMTSI-BENRWUELSA-N -1 1 304.386 3.673 20 0 DHADMM CCN(C(=O)c1cc2ccccc2cc1[O-])c1nc(C)cs1 ZINC000152966196 1021908022 /nfs/dbraw/zinc/90/80/22/1021908022.db2.gz DYIKFQFPEHSIKE-UHFFFAOYSA-N -1 1 312.394 3.977 20 0 DHADMM CCCc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cc1 ZINC000007056229 1021908221 /nfs/dbraw/zinc/90/82/21/1021908221.db2.gz DWYYPVRPEFHPMN-UHFFFAOYSA-N -1 1 317.410 3.643 20 0 DHADMM CCCc1ccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000919809144 1021910522 /nfs/dbraw/zinc/91/05/22/1021910522.db2.gz ISCYOZSBHOKWNO-UHFFFAOYSA-N -1 1 312.369 3.555 20 0 DHADMM CC(=O)c1cccc(CNC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000557015877 1022017623 /nfs/dbraw/zinc/01/76/23/1022017623.db2.gz GOYNQGJXMLOQFK-UHFFFAOYSA-N -1 1 319.360 3.678 20 0 DHADMM CCOc1cc(C(=O)N[C@@H](C(C)C)C2CC2)cc(Cl)c1[O-] ZINC000620033534 1022018432 /nfs/dbraw/zinc/01/84/32/1022018432.db2.gz KMNCNKSXAWTKGT-AWEZNQCLSA-N -1 1 311.809 3.609 20 0 DHADMM Cc1cc(NC(=O)c2ccc(F)c([O-])c2)c2cccnc2c1C ZINC001137104814 1033026583 /nfs/dbraw/zinc/02/65/83/1033026583.db2.gz UGUZWEHAKCDSDG-UHFFFAOYSA-N -1 1 310.328 3.949 20 0 DHADMM CCOc1ccccc1[C@@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000920444248 1022121113 /nfs/dbraw/zinc/12/11/13/1022121113.db2.gz CHPCWWAKKIPXPM-LLVKDONJSA-N -1 1 319.788 3.935 20 0 DHADMM O=C(N[C@@H]1CCc2c1cccc2F)c1c([O-])cccc1Cl ZINC000920462710 1022123574 /nfs/dbraw/zinc/12/35/74/1022123574.db2.gz IGXUPCLUXQMZFN-CYBMUJFWSA-N -1 1 305.736 3.602 20 0 DHADMM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Br)cc1[O-] ZINC000620430551 1022150030 /nfs/dbraw/zinc/15/00/30/1022150030.db2.gz GDPPUWULMDOQCR-CLYYMRHHSA-N -1 1 324.218 3.558 20 0 DHADMM CC(C)(NC(=O)NCc1ccc([O-])c(Cl)c1)c1cccs1 ZINC000876393245 1033034232 /nfs/dbraw/zinc/03/42/32/1033034232.db2.gz FTJSEZUGPUFHMH-UHFFFAOYSA-N -1 1 324.833 3.842 20 0 DHADMM O=C([N-]Cc1ccc(F)cc1F)C(F)(F)c1ccc(F)cc1 ZINC000920845429 1022184865 /nfs/dbraw/zinc/18/48/65/1022184865.db2.gz OYLDMEZJRVSYLR-UHFFFAOYSA-N -1 1 315.241 3.512 20 0 DHADMM C[C@H]1CC2(CCC2)CN1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876395479 1033036801 /nfs/dbraw/zinc/03/68/01/1033036801.db2.gz JSGCRRCZEPBYGX-NSHDSACASA-N -1 1 308.809 3.520 20 0 DHADMM CCN(Cc1occc1C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876398201 1033038263 /nfs/dbraw/zinc/03/82/63/1033038263.db2.gz DVWHAVHHMFHMAP-UHFFFAOYSA-N -1 1 322.792 3.679 20 0 DHADMM Cc1ccc(C[C@@]2(C)CCCN2C(=O)c2ncc(C)cc2[O-])cc1 ZINC001169224510 1022310906 /nfs/dbraw/zinc/31/09/06/1022310906.db2.gz GNMXNKBWRNAKMJ-HXUWFJFHSA-N -1 1 324.424 3.641 20 0 DHADMM CC[C@H](NC(=O)c1ccc([O-])cc1F)c1ccc(F)cc1F ZINC000154912310 1022343590 /nfs/dbraw/zinc/34/35/90/1022343590.db2.gz MLXHEYWDNQMEFS-HNNXBMFYSA-N -1 1 309.287 3.691 20 0 DHADMM CCOc1cc(C(=O)N(C)C[C@H]2CC2(C)C)cc(Cl)c1[O-] ZINC000621056691 1022530350 /nfs/dbraw/zinc/53/03/50/1022530350.db2.gz DFZJNQWIGFVSKP-LLVKDONJSA-N -1 1 311.809 3.562 20 0 DHADMM O=C([N-]c1nnc(C2CC2)s1)c1c(F)ccc(F)c1Cl ZINC000621397709 1022741978 /nfs/dbraw/zinc/74/19/78/1022741978.db2.gz UVSCJIFCEAGMGJ-UHFFFAOYSA-N -1 1 315.732 3.599 20 0 DHADMM CC(C)c1cnc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])s1 ZINC000417566029 1022788942 /nfs/dbraw/zinc/78/89/42/1022788942.db2.gz QPHHIAXVMZXJGO-BLLLJJGKSA-N -1 1 318.442 3.818 20 0 DHADMM O=C(/C=C/c1ccc2[nH]ccc2c1)Nc1cc([O-])c(F)cc1F ZINC001625896963 1022868093 /nfs/dbraw/zinc/86/80/93/1022868093.db2.gz TVLGPNYAIPUKBM-DUXPYHPUSA-N -1 1 314.291 3.804 20 0 DHADMM CC1(C)C[C@@]1(C(=O)Nc1cc([O-])c(F)cc1F)c1ccccc1 ZINC001625897261 1022880500 /nfs/dbraw/zinc/88/05/00/1022880500.db2.gz WUVOFDKUYWUSOQ-SFHVURJKSA-N -1 1 317.335 3.977 20 0 DHADMM Cc1sc(NC(=O)c2c(F)ccc([O-])c2F)nc1C(C)C ZINC000617247907 1022896117 /nfs/dbraw/zinc/89/61/17/1022896117.db2.gz XWEFBNIJEQWPCU-UHFFFAOYSA-N -1 1 312.341 3.811 20 0 DHADMM Cc1oc(-c2cccs2)nc1C(=O)Nc1ccc(F)cc1[O-] ZINC000768256939 1022933963 /nfs/dbraw/zinc/93/39/63/1022933963.db2.gz BLIFGPFMQUYDLC-UHFFFAOYSA-N -1 1 318.329 3.809 20 0 DHADMM CC(=O)N1CCc2cc(NCc3cccc([O-])c3Cl)ccc21 ZINC000336890895 1023025683 /nfs/dbraw/zinc/02/56/83/1023025683.db2.gz HXRCHUXIHIYULB-UHFFFAOYSA-N -1 1 316.788 3.567 20 0 DHADMM CCCN(CC(F)(F)F)C(=O)c1ccc2ccccc2c1[O-] ZINC000386762162 1023068436 /nfs/dbraw/zinc/06/84/36/1023068436.db2.gz FPZSNFQPBWHEGP-UHFFFAOYSA-N -1 1 311.303 3.960 20 0 DHADMM Cc1cccc(-c2noc(-c3ccc4ccccc4c3[O-])n2)n1 ZINC000320395884 1023186765 /nfs/dbraw/zinc/18/67/65/1023186765.db2.gz FCDUOIOPULDFCG-UHFFFAOYSA-N -1 1 303.321 3.966 20 0 DHADMM CCC[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ccccn1 ZINC000769766622 1023204324 /nfs/dbraw/zinc/20/43/24/1023204324.db2.gz XWVWSYZXNDJEOU-CYBMUJFWSA-N -1 1 304.777 3.712 20 0 DHADMM C[C@@H]1CCCC[C@H]1CNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001626288727 1023207158 /nfs/dbraw/zinc/20/71/58/1023207158.db2.gz KDGUMWGAXPZFOK-OCCSQVGLSA-N -1 1 313.397 3.807 20 0 DHADMM CC[C@@H](NC(=O)c1c([O-])cccc1Cl)c1nc(C)cs1 ZINC000769780186 1023212219 /nfs/dbraw/zinc/21/22/19/1023212219.db2.gz VVBUVFRNNXRRAA-SNVBAGLBSA-N -1 1 310.806 3.692 20 0 DHADMM CN(C(=O)c1c([O-])cccc1Cl)[C@H]1CCc2ccccc2C1 ZINC000769860870 1023221875 /nfs/dbraw/zinc/22/18/75/1023221875.db2.gz ZGUYVGRHDYEEOO-AWEZNQCLSA-N -1 1 315.800 3.675 20 0 DHADMM CC[C@H](c1ccncc1)N(C)C(=O)c1c([O-])cccc1Cl ZINC000769897372 1023229596 /nfs/dbraw/zinc/22/95/96/1023229596.db2.gz PMAGMVDBLRKVAI-CYBMUJFWSA-N -1 1 304.777 3.664 20 0 DHADMM C[C@H]1Cc2ccccc2CN1C(=O)c1c([O-])cccc1Cl ZINC000769912297 1023232324 /nfs/dbraw/zinc/23/23/24/1023232324.db2.gz FVHRCUXVXOQDQN-NSHDSACASA-N -1 1 301.773 3.633 20 0 DHADMM C[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)[C@@H]1c1ccccc1 ZINC000769922842 1023249219 /nfs/dbraw/zinc/24/92/19/1023249219.db2.gz MOANIGKYSLGIOB-BZNIZROVSA-N -1 1 301.773 3.879 20 0 DHADMM O=c1cc(C2CC2)nc(SCCCCC2CCOCC2)[n-]1 ZINC000538608611 1033118956 /nfs/dbraw/zinc/11/89/56/1033118956.db2.gz XTKAXOLNYMDOBY-UHFFFAOYSA-N -1 1 308.447 3.749 20 0 DHADMM CCc1ccccc1C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000770132987 1023279711 /nfs/dbraw/zinc/27/97/11/1023279711.db2.gz ZCAOZDNDNUCWKI-UHFFFAOYSA-N -1 1 312.365 3.557 20 0 DHADMM [O-]c1ccc(-c2noc(/C=C\c3ccc(Cl)nc3)n2)cc1F ZINC000771222961 1023412376 /nfs/dbraw/zinc/41/23/76/1023412376.db2.gz SKPVFVXDUOEFIB-KXFIGUGUSA-N -1 1 317.707 3.800 20 0 DHADMM [O-]c1ccc(-c2noc(/C=C/c3ccc(Cl)nc3)n2)cc1F ZINC000771222962 1023412628 /nfs/dbraw/zinc/41/26/28/1023412628.db2.gz SKPVFVXDUOEFIB-QHHAFSJGSA-N -1 1 317.707 3.800 20 0 DHADMM CC[C@@H](C)OCC[C@H](C)Nc1c(C)c(=O)[n-]n1-c1ccccc1 ZINC001172352834 1033134414 /nfs/dbraw/zinc/13/44/14/1033134414.db2.gz UHWRBMVHFYFXHD-UONOGXRCSA-N -1 1 317.433 3.892 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCCC(F)(F)CC1 ZINC000628636428 1023540774 /nfs/dbraw/zinc/54/07/74/1023540774.db2.gz BRZSEOACZYIFGC-UHFFFAOYSA-N -1 1 305.324 3.807 20 0 DHADMM O=C1CSCN1c1ccc(-c2cccc([O-])c2Cl)cc1 ZINC001242800230 1023619235 /nfs/dbraw/zinc/61/92/35/1023619235.db2.gz FLHPLZVMXDKEBN-UHFFFAOYSA-N -1 1 305.786 3.750 20 0 DHADMM CCOC(=O)c1ccc(-c2cccc([O-])c2Cl)cc1OC ZINC001242802494 1023621432 /nfs/dbraw/zinc/62/14/32/1023621432.db2.gz ABGIXSPXGDUCOF-UHFFFAOYSA-N -1 1 306.745 3.898 20 0 DHADMM O=C1N[C@@H](c2cccc([O-])c2Cl)Nc2cccc(Cl)c21 ZINC000877854562 1033487421 /nfs/dbraw/zinc/48/74/21/1033487421.db2.gz SHXTWYVXUPCICT-ZDUSSCGKSA-N -1 1 309.152 3.553 20 0 DHADMM CC(C)(C)c1ccc([C@H]([N-]C(=O)C(F)F)C(F)(F)F)cc1 ZINC000787191545 1023772519 /nfs/dbraw/zinc/77/25/19/1023772519.db2.gz MYZPDSIZEUINAG-JTQLQIEISA-N -1 1 309.278 3.969 20 0 DHADMM CCn1c2ccc(C(=O)[O-])cc2nc1C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000652367119 1023817575 /nfs/dbraw/zinc/81/75/75/1023817575.db2.gz PAJUEZSXDNHSHW-BETUJISGSA-N -1 1 315.417 3.517 20 0 DHADMM CCn1c2ccc(C(=O)[O-])cc2nc1CN1[C@H](C)CCC[C@@H]1C ZINC000652367119 1023817581 /nfs/dbraw/zinc/81/75/81/1023817581.db2.gz PAJUEZSXDNHSHW-BETUJISGSA-N -1 1 315.417 3.517 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H](c1ccccc1)C1CC1 ZINC000788158991 1023859606 /nfs/dbraw/zinc/85/96/06/1023859606.db2.gz RFLHGYBQIXOUSF-AWEZNQCLSA-N -1 1 302.761 3.573 20 0 DHADMM Cc1nc(S[C@H](C)c2ccc(F)nc2)[n-]c(=O)c1C1CC1 ZINC000882278224 1024014514 /nfs/dbraw/zinc/01/45/14/1024014514.db2.gz WGWUIGMPYFIDAS-SECBINFHSA-N -1 1 305.378 3.755 20 0 DHADMM CCN(CCC(F)(F)F)C(=O)c1ccc2ccccc2c1[O-] ZINC000623060670 1024061591 /nfs/dbraw/zinc/06/15/91/1024061591.db2.gz KMAIMDBUMUJXMZ-UHFFFAOYSA-N -1 1 311.303 3.960 20 0 DHADMM CCCCOc1ccc(C(=O)N(OC)C2CCCC2)c([O-])c1 ZINC000789849850 1024176956 /nfs/dbraw/zinc/17/69/56/1024176956.db2.gz IXUQEUGJDANWHC-UHFFFAOYSA-N -1 1 307.390 3.517 20 0 DHADMM Cc1ccc(CCCC(=O)Nc2nc(Cl)ccc2[O-])s1 ZINC000789929701 1024183704 /nfs/dbraw/zinc/18/37/04/1024183704.db2.gz BSAXIWNDUIZIBH-UHFFFAOYSA-N -1 1 310.806 3.772 20 0 DHADMM COc1cccc([C@@H](C)CC(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC000789931717 1024184339 /nfs/dbraw/zinc/18/43/39/1024184339.db2.gz KBQSGOQBPFVLDO-JTQLQIEISA-N -1 1 320.776 3.582 20 0 DHADMM CC(C)(C)SCCCC(=O)Nc1nc(Cl)ccc1[O-] ZINC000789929710 1024185230 /nfs/dbraw/zinc/18/52/30/1024185230.db2.gz CGBKPTSHCRLLML-UHFFFAOYSA-N -1 1 302.827 3.691 20 0 DHADMM COc1cccc([C@H](C)CCCC(=O)[N-]OCC(F)(F)F)c1 ZINC000789989396 1024200664 /nfs/dbraw/zinc/20/06/64/1024200664.db2.gz BPMILUNWFFKEMH-LLVKDONJSA-N -1 1 319.323 3.579 20 0 DHADMM Cc1cccc2c(CCC(=O)Nc3ccc(F)cc3[O-])c[nH]c21 ZINC000531756346 1024302033 /nfs/dbraw/zinc/30/20/33/1024302033.db2.gz RHMNMZWRQJAYED-UHFFFAOYSA-N -1 1 312.344 3.892 20 0 DHADMM O=C(Nc1ccc(Cl)cc1[O-])c1csc([C@@H]2CCCO2)n1 ZINC000270238679 1024371262 /nfs/dbraw/zinc/37/12/62/1024371262.db2.gz NOUSEKDJOCIQIB-LBPRGKRZSA-N -1 1 324.789 3.606 20 0 DHADMM C[C@@]1(C(=O)[O-])CCCN(Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000317039766 1024424975 /nfs/dbraw/zinc/42/49/75/1024424975.db2.gz URBYAGWGWIIHJY-CQSZACIVSA-N -1 1 319.298 3.531 20 0 DHADMM CN(C[C@@H]1CC=CCC1)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897371519 1024602827 /nfs/dbraw/zinc/60/28/27/1024602827.db2.gz XKGUSHKRSVCHBH-CYBMUJFWSA-N -1 1 311.381 3.679 20 0 DHADMM CC(C)(C)c1nc(CC(=O)Nc2ccc([O-])c(Cl)c2)cs1 ZINC000111666432 1024757596 /nfs/dbraw/zinc/75/75/96/1024757596.db2.gz QYIRNVXVSMUSDW-UHFFFAOYSA-N -1 1 324.833 3.981 20 0 DHADMM O=C(NC[C@H]1Cc2ccccc21)c1cc2ccccc2cc1[O-] ZINC000321643676 1024770663 /nfs/dbraw/zinc/77/06/63/1024770663.db2.gz PFYQQXOCWNXOCI-MRXNPFEDSA-N -1 1 303.361 3.615 20 0 DHADMM COc1ccc(F)c(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000390971111 1024820268 /nfs/dbraw/zinc/82/02/68/1024820268.db2.gz RAKVOOLGLGPPNL-UHFFFAOYSA-N -1 1 311.312 3.945 20 0 DHADMM O=C(NCCSC(F)(F)F)c1cc2ccccc2cc1[O-] ZINC000060847318 1024968540 /nfs/dbraw/zinc/96/85/40/1024968540.db2.gz FMVSAICEYBKQTH-UHFFFAOYSA-N -1 1 315.316 3.528 20 0 DHADMM COc1ncc([N-]c2nnc(C(C)(C)C)o2)cc1C(F)(F)F ZINC001212799793 1025047527 /nfs/dbraw/zinc/04/75/27/1025047527.db2.gz WMZZEDJOJSGTHL-UHFFFAOYSA-N -1 1 316.283 3.533 20 0 DHADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1cccc(Cl)c1Cl ZINC000263527798 1025070241 /nfs/dbraw/zinc/07/02/41/1025070241.db2.gz UWKFZWXAZYHDBM-ONGXEEELSA-N -1 1 302.201 3.679 20 0 DHADMM O=C(Nc1nc2ccsc2s1)c1c(F)ccc([O-])c1F ZINC000348465491 1033256844 /nfs/dbraw/zinc/25/68/44/1033256844.db2.gz NPBYWHNXKFJTPT-UHFFFAOYSA-N -1 1 312.322 3.594 20 0 DHADMM CC(C)Oc1cccc([C@@H](C)NCc2cc(C(=O)[O-])co2)c1 ZINC000318989770 1025126435 /nfs/dbraw/zinc/12/64/35/1025126435.db2.gz ATOHYGWAAPSNKI-GFCCVEGCSA-N -1 1 303.358 3.616 20 0 DHADMM C[C@H](N(C)C(=O)c1ccc(Br)cc1[O-])C(C)(C)C ZINC000044491271 1025256407 /nfs/dbraw/zinc/25/64/07/1025256407.db2.gz YTPQTAUJVCGPTQ-VIFPVBQESA-N -1 1 314.223 3.661 20 0 DHADMM Cc1n[nH]c(C(C)C)c1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000353887082 1025279997 /nfs/dbraw/zinc/27/99/97/1025279997.db2.gz HYRLROKXSVIAEJ-UHFFFAOYSA-N -1 1 311.744 3.592 20 0 DHADMM O=C([N-]Nc1cccc(Cl)c1)C(F)(F)c1ccc(F)cc1 ZINC000150091930 1025323343 /nfs/dbraw/zinc/32/33/43/1025323343.db2.gz MOXVGVNAMWVJBE-UHFFFAOYSA-N -1 1 314.694 3.714 20 0 DHADMM CSc1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1 ZINC000112850741 1025354386 /nfs/dbraw/zinc/35/43/86/1025354386.db2.gz PKGBLRCWBLNTPU-UHFFFAOYSA-N -1 1 318.423 3.691 20 0 DHADMM CCCC(O)(CCC)CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885676483 1025379471 /nfs/dbraw/zinc/37/94/71/1025379471.db2.gz OONQWVISEZZGCQ-UHFFFAOYSA-N -1 1 317.788 3.845 20 0 DHADMM CC(C)[C@H](C(=O)Nc1cc(F)c([O-])cc1Cl)c1cccnc1 ZINC000885678257 1025380156 /nfs/dbraw/zinc/38/01/56/1025380156.db2.gz LANNBCLOHKMQHA-HNNXBMFYSA-N -1 1 322.767 3.958 20 0 DHADMM CC[C@@H](C)CCCCC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129759417 1025410540 /nfs/dbraw/zinc/41/05/40/1025410540.db2.gz NIQCZHIIKNICOF-GFCCVEGCSA-N -1 1 305.422 3.606 20 0 DHADMM CC(C)(C)CC[C@@H](NCc1cnc(C(C)(C)C)s1)C(=O)[O-] ZINC000426735073 1025524688 /nfs/dbraw/zinc/52/46/88/1025524688.db2.gz RVAMCFYQHVOXOJ-GFCCVEGCSA-N -1 1 312.479 3.810 20 0 DHADMM O=c1c2c([n-]n1Cc1ccc(C(F)(F)F)cc1)CCCCC2 ZINC000614188895 1025830077 /nfs/dbraw/zinc/83/00/77/1025830077.db2.gz FRPYTWKVZQJGSA-ZDUSSCGKSA-N -1 1 310.319 3.984 20 0 DHADMM O=c1c2c([n-]n1Cc1ccc(C(F)(F)F)cc1)CCCCC2 ZINC000614188893 1025832060 /nfs/dbraw/zinc/83/20/60/1025832060.db2.gz FRPYTWKVZQJGSA-CYBMUJFWSA-N -1 1 310.319 3.984 20 0 DHADMM COc1ccc(-c2nc(-c3coc4ccccc34)no2)c([O-])c1 ZINC000322056039 1025954419 /nfs/dbraw/zinc/95/44/19/1025954419.db2.gz BAYONNNJJYZZKN-UHFFFAOYSA-N -1 1 308.293 3.864 20 0 DHADMM CCOC(=O)c1ccc(OC)c(Nc2cc(F)c([O-])cc2F)c1 ZINC001211979515 1026121323 /nfs/dbraw/zinc/12/13/23/1026121323.db2.gz XMRRSLLWQWWPAO-UHFFFAOYSA-N -1 1 323.295 3.599 20 0 DHADMM CC1(C)C[C@H]1C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000808114016 1026204542 /nfs/dbraw/zinc/20/45/42/1026204542.db2.gz OCSBUOSUULUMGI-ZETCQYMHSA-N -1 1 318.598 3.793 20 0 DHADMM C[C@@H]([N-]C(=O)C(C)(F)F)c1cc(F)c(Cl)cc1Cl ZINC000808453389 1026291568 /nfs/dbraw/zinc/29/15/68/1026291568.db2.gz DSHLNTDXFDJQMS-RXMQYKEDSA-N -1 1 300.107 3.965 20 0 DHADMM Cc1ccc([C@H]([N-]c2nnc(C3CC3)o2)c2ccccn2)cc1 ZINC000280602755 1026676980 /nfs/dbraw/zinc/67/69/80/1026676980.db2.gz XUTLZHLLGRQLGW-INIZCTEOSA-N -1 1 306.369 3.852 20 0 DHADMM COc1nnc(-c2cc(C)c([O-])c(Cl)c2)cc1C(F)(F)F ZINC001244539267 1026766640 /nfs/dbraw/zinc/76/66/40/1026766640.db2.gz SJIMTAIOBVAXEI-UHFFFAOYSA-N -1 1 318.682 3.838 20 0 DHADMM COc1cc(C(=O)[N-]c2nc(C3CCCCCC3)cs2)on1 ZINC001132409066 1026834641 /nfs/dbraw/zinc/83/46/41/1026834641.db2.gz WLXMACXRVIVQIB-UHFFFAOYSA-N -1 1 321.402 3.830 20 0 DHADMM O=C([N-]c1nocc1C1CC1)c1cc(-c2ccc(F)cc2)no1 ZINC001133061282 1027122315 /nfs/dbraw/zinc/12/23/15/1027122315.db2.gz XHYCOHLANMGXER-UHFFFAOYSA-N -1 1 313.288 3.598 20 0 DHADMM Cc1nc(-c2ccc(N[C@@H]3CC4CCC3CC4)nc2)[n-]c(=O)c1C ZINC000572097504 1027173313 /nfs/dbraw/zinc/17/33/13/1027173313.db2.gz RLLWIELBQZQNJY-ZBCRRDGASA-N -1 1 324.428 3.852 20 0 DHADMM O=C([O-])c1ccoc1CN1CCC(c2cccc(F)c2F)CC1 ZINC000573855374 1027334465 /nfs/dbraw/zinc/33/44/65/1027334465.db2.gz DALATXHPNLEIDS-UHFFFAOYSA-N -1 1 321.323 3.636 20 0 DHADMM Cc1ccc([C@H]([N-]c2nnc(C(C)C)o2)c2ccccn2)cc1 ZINC000562536461 1027487185 /nfs/dbraw/zinc/48/71/85/1027487185.db2.gz MDSKPDOSQJZEDE-INIZCTEOSA-N -1 1 308.385 4.098 20 0 DHADMM O=c1nc(-c2ccsn2)[n-]c2sc3c(c21)CCCS3 ZINC000562782518 1027601685 /nfs/dbraw/zinc/60/16/85/1027601685.db2.gz YOQYQCHMBIDAGT-UHFFFAOYSA-N -1 1 307.425 3.559 20 0 DHADMM C[C@@H]1C[C@@H](c2ccccc2F)N(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000576405176 1027612983 /nfs/dbraw/zinc/61/29/83/1027612983.db2.gz FYWMPMGDPKGUQG-PXAZEXFGSA-N -1 1 314.360 3.502 20 0 DHADMM O=c1cc(C(F)F)nc(SCCCOc2ccccc2)[n-]1 ZINC000577051907 1027696411 /nfs/dbraw/zinc/69/64/11/1027696411.db2.gz XCQCNUZYSFJLIP-UHFFFAOYSA-N -1 1 312.341 3.681 20 0 DHADMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000578094342 1028046839 /nfs/dbraw/zinc/04/68/39/1028046839.db2.gz SPRYUYFIMHOSHP-UHFFFAOYSA-N -1 1 315.316 3.873 20 0 DHADMM CCc1nc(SCCO[C@H]2CCCC[C@H]2C)[n-]c(=O)c1C ZINC000578523995 1028172479 /nfs/dbraw/zinc/17/24/79/1028172479.db2.gz YACBGNTYWUVTFG-RISCZKNCSA-N -1 1 310.463 3.740 20 0 DHADMM C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000117991799 1028230174 /nfs/dbraw/zinc/23/01/74/1028230174.db2.gz JZHBMIPBAHIWKK-PSLIRLAXSA-N -1 1 303.745 3.549 20 0 DHADMM O=C(NCCc1ccc(Cl)s1)c1c([O-])cccc1Cl ZINC000049090542 1028366165 /nfs/dbraw/zinc/36/61/65/1028366165.db2.gz VCKJMRDTOLSRNQ-UHFFFAOYSA-N -1 1 316.209 3.733 20 0 DHADMM CCn1c2ccccc2nc1CNCc1cccc([O-])c1Cl ZINC000815123468 1028369238 /nfs/dbraw/zinc/36/92/38/1028369238.db2.gz IUIMRRGATVUAHZ-UHFFFAOYSA-N -1 1 315.804 3.705 20 0 DHADMM Cc1ccc2nc(SCc3cc(=O)[nH]c(C4CC4)n3)[nH]c2c1 ZINC000564783924 1028500639 /nfs/dbraw/zinc/50/06/39/1028500639.db2.gz MNDQZWCGKYXOHP-UHFFFAOYSA-N -1 1 312.398 3.537 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)C[C@H](C)C2CC2)c1 ZINC000778447670 1028507987 /nfs/dbraw/zinc/50/79/87/1028507987.db2.gz CACAQMNDHKUNKV-VIFPVBQESA-N -1 1 312.207 3.838 20 0 DHADMM COc1cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)ccc1F ZINC000565756682 1028629198 /nfs/dbraw/zinc/62/91/98/1028629198.db2.gz LECFIGYNTQAYHF-UHFFFAOYSA-N -1 1 321.373 3.513 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@H]2[C@@H](C(F)(F)F)[C@H]21 ZINC000371084031 1028668213 /nfs/dbraw/zinc/66/82/13/1028668213.db2.gz FQRBUWQKHPIHRJ-YUTCNCBUSA-N -1 1 321.298 3.568 20 0 DHADMM CC1(C(=O)Nc2ccc([O-])c(F)c2F)CCC(F)(F)CC1 ZINC000627680503 1028795469 /nfs/dbraw/zinc/79/54/69/1028795469.db2.gz MUYLOULCWWCMBP-UHFFFAOYSA-N -1 1 305.271 3.825 20 0 DHADMM COC(=O)c1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC001135563096 1028855445 /nfs/dbraw/zinc/85/54/45/1028855445.db2.gz IHJWFRANYQOTCH-UHFFFAOYSA-N -1 1 321.332 3.584 20 0 DHADMM CC(C)O[C@@H](C(=O)Nc1nc(Cl)ccc1[O-])c1ccccc1 ZINC000816426930 1028863627 /nfs/dbraw/zinc/86/36/27/1028863627.db2.gz CDCZDBZVMNVYAW-CQSZACIVSA-N -1 1 320.776 3.545 20 0 DHADMM CO[C@H](C(=O)Nc1cc(Cl)c([O-])c2ccccc12)C1CCC1 ZINC000628233605 1028953328 /nfs/dbraw/zinc/95/33/28/1028953328.db2.gz MBLNXLKHJNTWQA-INIZCTEOSA-N -1 1 319.788 3.952 20 0 DHADMM CC[C@@H](C)CO[N-]C(=O)Cc1sc(C)nc1-c1cccs1 ZINC000816979918 1029047728 /nfs/dbraw/zinc/04/77/28/1029047728.db2.gz AJYRGTBLKDWLAB-SNVBAGLBSA-N -1 1 324.471 3.816 20 0 DHADMM Cc1ccc(NC(=O)c2ccc3ccc(O)cc3c2[O-])c(F)c1 ZINC001135883741 1029129206 /nfs/dbraw/zinc/12/92/06/1029129206.db2.gz SFJRLEWHOCTOAN-UHFFFAOYSA-N -1 1 311.312 3.951 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])C1CCC(C(F)(F)F)CC1 ZINC000628960122 1029196496 /nfs/dbraw/zinc/19/64/96/1029196496.db2.gz WJEKKDYDAQGRCF-UHFFFAOYSA-N -1 1 305.271 3.839 20 0 DHADMM Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc(F)c([O-])c1 ZINC001136040800 1029266630 /nfs/dbraw/zinc/26/66/30/1029266630.db2.gz DEJWSLNJTQLZQS-MRXNPFEDSA-N -1 1 316.376 3.627 20 0 DHADMM O=C(NCC1CCCCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC001136043675 1029268159 /nfs/dbraw/zinc/26/81/59/1029268159.db2.gz JQUUBBWSUCWMOI-UHFFFAOYSA-N -1 1 301.308 3.721 20 0 DHADMM C[C@@H]1CN(Cc2cccc(C(=O)[O-])c2Cl)C[C@H](C)C1(F)F ZINC000629364881 1029311347 /nfs/dbraw/zinc/31/13/47/1029311347.db2.gz QSMTWEBWRRQWGW-AOOOYVTPSA-N -1 1 317.763 3.761 20 0 DHADMM CC(C)Oc1ccccc1CN1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC000629372920 1029315720 /nfs/dbraw/zinc/31/57/20/1029315720.db2.gz FMXOWNXWCWNKNJ-IKGGRYGDSA-N -1 1 317.429 3.549 20 0 DHADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)Cc2ccc(C)cc2)n[nH]1 ZINC000570123969 1029320236 /nfs/dbraw/zinc/32/02/36/1029320236.db2.gz YFSZBBNRIWBJRZ-ZDUSSCGKSA-N -1 1 321.446 3.564 20 0 DHADMM C[C@H](CC(C)(C)C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629380043 1029320269 /nfs/dbraw/zinc/32/02/69/1029320269.db2.gz WPSAMTYCPUPRJH-GFCCVEGCSA-N -1 1 301.390 3.589 20 0 DHADMM CCOc1cc(C(=O)N2C[C@@H]3CCCC[C@@]32C)cc(Cl)c1[O-] ZINC000629609481 1029379962 /nfs/dbraw/zinc/37/99/62/1029379962.db2.gz FULWNMPTQKBIAP-SJCJKPOMSA-N -1 1 323.820 3.849 20 0 DHADMM CO[C@@](C)(C(=O)Nc1cc(Cl)c([O-])c2ccccc12)C1CC1 ZINC000529540433 1029379717 /nfs/dbraw/zinc/37/97/17/1029379717.db2.gz YYHMOMSPXFQEGQ-QGZVFWFLSA-N -1 1 319.788 3.952 20 0 DHADMM CCC[C@@H](C(=O)[O-])N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000570577326 1029386112 /nfs/dbraw/zinc/38/61/12/1029386112.db2.gz WTFKCUQQNLAZQH-ZDUSSCGKSA-N -1 1 302.201 3.605 20 0 DHADMM O=C(Nc1ccc2c[nH]nc2c1)c1ccc(C(F)(F)F)cc1[O-] ZINC001136138282 1029387245 /nfs/dbraw/zinc/38/72/45/1029387245.db2.gz HKRSUQUFHZGRFM-UHFFFAOYSA-N -1 1 321.258 3.540 20 0 DHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)[C@@H]1CCCCO1 ZINC000529538380 1029396319 /nfs/dbraw/zinc/39/63/19/1029396319.db2.gz BLPBLOAAULFRLN-AWEZNQCLSA-N -1 1 305.761 3.706 20 0 DHADMM CCOc1cc(C(=O)N2CCCC3(CC3)CC2)cc(Cl)c1[O-] ZINC000629649251 1029403701 /nfs/dbraw/zinc/40/37/01/1029403701.db2.gz NLLSUUUABQQGMJ-UHFFFAOYSA-N -1 1 323.820 3.851 20 0 DHADMM [O-]c1c(-c2nc(-c3ccc(O)cc3)no2)ccc2ccccc21 ZINC000389916461 1029410544 /nfs/dbraw/zinc/41/05/44/1029410544.db2.gz DAWISUPJINSINJ-UHFFFAOYSA-N -1 1 304.305 3.968 20 0 DHADMM CC(C)c1ccc(CN(C)C(=O)c2ccc([O-])cc2F)cc1 ZINC001136152580 1029418192 /nfs/dbraw/zinc/41/81/92/1029418192.db2.gz ZXQPYBWMNNUBST-UHFFFAOYSA-N -1 1 301.361 3.927 20 0 DHADMM CC(C)CN(C(=O)c1cncc([O-])c1)c1ccc(F)c(Cl)c1 ZINC000529698412 1029521252 /nfs/dbraw/zinc/52/12/52/1029521252.db2.gz SZWHNUXATYMEAD-UHFFFAOYSA-N -1 1 322.767 3.883 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2ccc3onc(Cl)c3c2)cc1 ZINC000821116832 1029812014 /nfs/dbraw/zinc/81/20/14/1029812014.db2.gz XANVKPOHNKWQRQ-UHFFFAOYSA-N -1 1 322.773 3.590 20 0 DHADMM CCN(C(=O)Cc1ccc([O-])c(Cl)c1)c1ccccc1OC ZINC001136433367 1029825790 /nfs/dbraw/zinc/82/57/90/1029825790.db2.gz HVHQAPZIUNFVQA-UHFFFAOYSA-N -1 1 319.788 3.650 20 0 DHADMM CC[C@@H](CNC(=O)c1ccc(Cl)cc1[O-])c1ccccc1 ZINC001136514217 1029895358 /nfs/dbraw/zinc/89/53/58/1029895358.db2.gz YUDBYPLDWKTSNR-LBPRGKRZSA-N -1 1 303.789 3.969 20 0 DHADMM C[C@@H]1CC=CC[C@@H]1C(=O)Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000357336832 1030004807 /nfs/dbraw/zinc/00/48/07/1030004807.db2.gz 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314.341 3.907 20 0 DHADMM O=C(NCC1([C@@H]2CCCCO2)CCC1)c1c([O-])cccc1Cl ZINC000871041245 1031131377 /nfs/dbraw/zinc/13/13/77/1031131377.db2.gz KYXRZGPFRYJCHN-AWEZNQCLSA-N -1 1 323.820 3.515 20 0 DHADMM CC(C)[C@H]1N(C(=O)Cc2ccc([O-])c(Cl)c2)CC12CCC2 ZINC000633171533 1031144777 /nfs/dbraw/zinc/14/47/77/1031144777.db2.gz HSAPLSNQPWUSRI-MRXNPFEDSA-N -1 1 307.821 3.625 20 0 DHADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@](F)(c2ccccc2)C1 ZINC000871372620 1031212317 /nfs/dbraw/zinc/21/23/17/1031212317.db2.gz UEZGVBVPAWMWJG-GOSISDBHSA-N -1 1 317.335 3.632 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3csc(C4CC4)n3)n2)cc1F ZINC000871843582 1031342000 /nfs/dbraw/zinc/34/20/00/1031342000.db2.gz XAFXHIHORCAKMC-UHFFFAOYSA-N -1 1 317.345 3.506 20 0 DHADMM CC1(C)CCc2c([n-]n([C@@H]3CCOC4(CCCC4)C3)c2=O)C1 ZINC000871963147 1031388982 /nfs/dbraw/zinc/38/89/82/1031388982.db2.gz FAJAMLIZPCEURU-KGLIPLIRSA-N -1 1 304.434 3.503 20 0 DHADMM COCC[C@@H](NCc1cccc([O-])c1Cl)c1ccc(C)o1 ZINC000293367978 1031444368 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FC(F)(F)c1cnc(-c2nc(-c3cccc4occc43)no2)[n-]1 ZINC001212689434 1033461611 /nfs/dbraw/zinc/46/16/11/1033461611.db2.gz DVMCULXETGZJHO-UHFFFAOYSA-N -1 1 320.230 3.892 20 0 DHADMM FC(F)(F)c1c[n-]c(-c2nc(-c3cccc4occc43)no2)n1 ZINC001212689434 1033461615 /nfs/dbraw/zinc/46/16/15/1033461615.db2.gz DVMCULXETGZJHO-UHFFFAOYSA-N -1 1 320.230 3.892 20 0 DHADMM Cc1ccc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)cc1C ZINC001212689479 1033462019 /nfs/dbraw/zinc/46/20/19/1033462019.db2.gz GXAJEBBFCIGUSL-UHFFFAOYSA-N -1 1 308.263 3.762 20 0 DHADMM Cc1ccc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)cc1C ZINC001212689479 1033462027 /nfs/dbraw/zinc/46/20/27/1033462027.db2.gz GXAJEBBFCIGUSL-UHFFFAOYSA-N -1 1 308.263 3.762 20 0 DHADMM Cc1ccc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)c(C)c1 ZINC001212690080 1033462238 /nfs/dbraw/zinc/46/22/38/1033462238.db2.gz WOYIRQXRZSEEAB-UHFFFAOYSA-N -1 1 308.263 3.762 20 0 DHADMM Cc1ccc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)c(C)c1 ZINC001212690080 1033462245 /nfs/dbraw/zinc/46/22/45/1033462245.db2.gz WOYIRQXRZSEEAB-UHFFFAOYSA-N -1 1 308.263 3.762 20 0 DHADMM COC(=O)c1c[n-]c(S[C@H](C)c2c(C)cc(C)cc2C)n1 ZINC000566833574 1033580463 /nfs/dbraw/zinc/58/04/63/1033580463.db2.gz WASYFNDDOIJEAF-GFCCVEGCSA-N -1 1 304.415 3.975 20 0 DHADMM CC(C)c1ccc(C(=O)N2CC[C@@H](O)c3ccccc32)c([O-])c1 ZINC000889263663 1033635757 /nfs/dbraw/zinc/63/57/57/1033635757.db2.gz DNQYGGIMQFMLJD-QGZVFWFLSA-N -1 1 311.381 3.600 20 0 DHADMM COC(=O)c1c([N-]c2conc2C)scc1C(F)(F)F ZINC001212719537 1033654100 /nfs/dbraw/zinc/65/41/00/1033654100.db2.gz SMEQAOVQWFJVNF-UHFFFAOYSA-N -1 1 306.265 3.594 20 0 DHADMM Cc1cc(-c2noc(-c3ccncc3[O-])n2)cc(C(F)(F)F)c1 ZINC001212721193 1033696128 /nfs/dbraw/zinc/69/61/28/1033696128.db2.gz CMISCTJJROPMEX-UHFFFAOYSA-N -1 1 321.258 3.831 20 0 DHADMM CCC(F)(F)C(C)(C)CNC(=O)c1c([O-])cccc1Cl ZINC000862945080 1033961967 /nfs/dbraw/zinc/96/19/67/1033961967.db2.gz JWFZEFAUMCIJTE-UHFFFAOYSA-N -1 1 305.752 3.847 20 0 DHADMM Cn1ccc2cc(Nc3cc4ccc([O-])cc4oc3=O)ccc21 ZINC001174096836 1034106378 /nfs/dbraw/zinc/10/63/78/1034106378.db2.gz AVTVRWQDXCNLTQ-UHFFFAOYSA-N -1 1 306.321 3.734 20 0 DHADMM O=c1ccn(-c2ccc(Nc3cncc4ccccc43)cc2)[n-]1 ZINC001174104562 1034115907 /nfs/dbraw/zinc/11/59/07/1034115907.db2.gz SZTXINFIXIZCIU-UHFFFAOYSA-N -1 1 302.337 3.870 20 0 DHADMM [O-]c1cc(F)cc(F)c1Nc1cnn(Cc2ccccc2)c1 ZINC001174133462 1034157482 /nfs/dbraw/zinc/15/74/82/1034157482.db2.gz QEQYIJLYXFTLGR-UHFFFAOYSA-N -1 1 301.296 3.659 20 0 DHADMM O=c1[n-]c(F)c(Cl)c(Nc2cccc3[nH]ncc32)c1Cl ZINC001174342563 1034302876 /nfs/dbraw/zinc/30/28/76/1034302876.db2.gz BWPICQYJGKHMPU-UHFFFAOYSA-N -1 1 313.119 3.853 20 0 DHADMM Cc1sc(C)c2c1[n-]c(Cc1ccc(C)nc1Cl)nc2=O ZINC000864356491 1034325549 /nfs/dbraw/zinc/32/55/49/1034325549.db2.gz PBLSDNPZCXGUIH-UHFFFAOYSA-N -1 1 319.817 3.961 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])[C@H](c1ccncc1)C1CCCC1 ZINC000899140882 1034467884 /nfs/dbraw/zinc/46/78/84/1034467884.db2.gz DVFMWBXZVPWAOT-INIZCTEOSA-N -1 1 314.360 3.839 20 0 DHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCCC2(CC2)CC1 ZINC000899147143 1034472564 /nfs/dbraw/zinc/47/25/64/1034472564.db2.gz BNYXHAQPGGWIQO-UHFFFAOYSA-N -1 1 311.381 3.657 20 0 DHADMM [O-]c1c(Cl)c(Cl)ccc1NC1=CCC2(CC1)OCCO2 ZINC001174643598 1034524139 /nfs/dbraw/zinc/52/41/39/1034524139.db2.gz SCLWJQDWQKIIJF-UHFFFAOYSA-N -1 1 316.184 3.922 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(F)c(F)cc1F ZINC000128892452 1034567582 /nfs/dbraw/zinc/56/75/82/1034567582.db2.gz UOMZPXOZDVFBCD-UHFFFAOYSA-N -1 1 301.651 3.715 20 0 DHADMM Cc1[n-]n(-c2nc3ccc(Cl)cc3s2)c(=O)c1C(C)C ZINC000899348808 1034592454 /nfs/dbraw/zinc/59/24/54/1034592454.db2.gz LIAFHNAYCUBKFB-GFCCVEGCSA-N -1 1 307.806 3.944 20 0 DHADMM CS(=O)(=O)c1ccc([O-])c(Nc2ccc3ccccc3c2)c1 ZINC001174875605 1034658474 /nfs/dbraw/zinc/65/84/74/1034658474.db2.gz MDTMQECXGVNJFC-UHFFFAOYSA-N -1 1 313.378 3.693 20 0 DHADMM CCOc1cc(C(=O)N2CCC[C@@H]3CCC[C@H]32)cc(Cl)c1[O-] ZINC000186835415 1034667537 /nfs/dbraw/zinc/66/75/37/1034667537.db2.gz ORXILLPRIJFFJG-SMDDNHRTSA-N -1 1 323.820 3.849 20 0 DHADMM O=C(CCn1ccc2cc(Cl)ccc21)[N-]Oc1ccccc1 ZINC000773473749 1034847231 /nfs/dbraw/zinc/84/72/31/1034847231.db2.gz UATGOCSLXGEPLY-UHFFFAOYSA-N -1 1 314.772 3.795 20 0 DHADMM O=C(Nc1ccccc1Nc1ccc(F)cc1)c1cncc([O-])c1 ZINC000555929047 1034970330 /nfs/dbraw/zinc/97/03/30/1034970330.db2.gz VUZHRDNZGXBXSG-UHFFFAOYSA-N -1 1 323.327 3.922 20 0 DHADMM Cc1coc(-c2cc(NC(=O)c3ccc(O)cc3[O-])ccc2C)n1 ZINC000159465348 1035059482 /nfs/dbraw/zinc/05/94/82/1035059482.db2.gz UKOGHINAXLZPFK-UHFFFAOYSA-N -1 1 324.336 3.622 20 0 DHADMM CSc1ncc(Nc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC001175651440 1035060198 /nfs/dbraw/zinc/06/01/98/1035060198.db2.gz YMCGMNOVGLQAAS-UHFFFAOYSA-N -1 1 302.186 3.955 20 0 DHADMM CCCCCCC(=O)CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000783985317 1035143060 /nfs/dbraw/zinc/14/30/60/1035143060.db2.gz BSNTZOSNBZRKMI-UHFFFAOYSA-N -1 1 322.352 3.833 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CC[C@@H](C)C2)c1 ZINC000482608733 1035144959 /nfs/dbraw/zinc/14/49/59/1035144959.db2.gz WFHWGMHEWAWNPO-PSASIEDQSA-N -1 1 312.207 3.838 20 0 DHADMM C[C@H](CN(C)C(=O)c1cc(Cl)ccc1[O-])c1ccccc1 ZINC000066459802 1035156311 /nfs/dbraw/zinc/15/63/11/1035156311.db2.gz UMBBNWIFJRMLDU-GFCCVEGCSA-N -1 1 303.789 3.921 20 0 DHADMM CC[C@@]1(C)C[C@H]1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000482696933 1035162627 /nfs/dbraw/zinc/16/26/27/1035162627.db2.gz SDRZLRKQJNHMLE-XPTSAGLGSA-N -1 1 312.207 3.838 20 0 DHADMM COC(=O)C1(c2ccc(Nc3ccc(F)c(F)c3[O-])cc2)CC1 ZINC001175921679 1035163120 /nfs/dbraw/zinc/16/31/20/1035163120.db2.gz JJDVKVDOKKHSMO-UHFFFAOYSA-N -1 1 319.307 3.619 20 0 DHADMM CC[C@@]1(C)C[C@@H]1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000482696931 1035163430 /nfs/dbraw/zinc/16/34/30/1035163430.db2.gz SDRZLRKQJNHMLE-OTYXRUKQSA-N -1 1 312.207 3.838 20 0 DHADMM [O-]c1cc(Nc2cccc(N3CCOCC3)c2)c(F)cc1Cl ZINC001176016769 1035185818 /nfs/dbraw/zinc/18/58/18/1035185818.db2.gz CNJIEWLKJVBYIV-UHFFFAOYSA-N -1 1 322.767 3.765 20 0 DHADMM C[C@@H](OC(=O)c1ccc([O-])cc1F)c1ncc(C(C)(C)C)o1 ZINC000773550893 1035212413 /nfs/dbraw/zinc/21/24/13/1035212413.db2.gz BYJOHSRZUCMUSU-SECBINFHSA-N -1 1 307.321 3.735 20 0 DHADMM O=C(OCc1cc(-c2ccccc2)no1)c1ccc([O-])cc1F ZINC000773567861 1035244070 /nfs/dbraw/zinc/24/40/70/1035244070.db2.gz YTICGUXCTIHGSV-UHFFFAOYSA-N -1 1 313.284 3.543 20 0 DHADMM COc1ccc(Cl)cc1COC(=O)c1ccc([O-])cc1F ZINC000773571151 1035257238 /nfs/dbraw/zinc/25/72/38/1035257238.db2.gz PRLDVGUGVDTRLD-UHFFFAOYSA-N -1 1 310.708 3.550 20 0 DHADMM COc1ccc(Cl)c(Nc2c(F)cc(F)c([O-])c2F)n1 ZINC001176664729 1035309013 /nfs/dbraw/zinc/30/90/13/1035309013.db2.gz ZBZRAECQFDURGD-UHFFFAOYSA-N -1 1 304.655 3.610 20 0 DHADMM CC(C)c1cnn2cc(Nc3c(F)cc(F)c([O-])c3F)cnc12 ZINC001176663789 1035309116 /nfs/dbraw/zinc/30/91/16/1035309116.db2.gz MJDZBOMQJXFWRU-UHFFFAOYSA-N -1 1 322.290 3.719 20 0 DHADMM COC(=O)c1scc(C)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176664050 1035309276 /nfs/dbraw/zinc/30/92/76/1035309276.db2.gz RUQGKAANSIVRRE-UHFFFAOYSA-N -1 1 317.288 3.710 20 0 DHADMM COC(=O)c1cccc(C)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176672012 1035310244 /nfs/dbraw/zinc/31/02/44/1035310244.db2.gz RFUNSTVOCWRTCV-UHFFFAOYSA-N -1 1 311.259 3.648 20 0 DHADMM CC(=O)N(C)c1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1 ZINC001176671565 1035310415 /nfs/dbraw/zinc/31/04/15/1035310415.db2.gz HHEOMTNGVXKKLX-UHFFFAOYSA-N -1 1 310.275 3.536 20 0 DHADMM Cc1noc(-c2ccc(Nc3c(F)cc(F)c([O-])c3F)cc2)n1 ZINC001176673244 1035311558 /nfs/dbraw/zinc/31/15/58/1035311558.db2.gz PWNYNYOCBQFBKD-UHFFFAOYSA-N -1 1 321.258 3.912 20 0 DHADMM O=C1CCCc2ccc(Nc3c(F)cc(F)c([O-])c3F)cc2N1 ZINC001176672362 1035311609 /nfs/dbraw/zinc/31/16/09/1035311609.db2.gz HRNFKYMCYWAYTA-UHFFFAOYSA-N -1 1 322.286 3.828 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ncccc2OC(F)(F)F)c1F ZINC001176663073 1035318026 /nfs/dbraw/zinc/31/80/26/1035318026.db2.gz ANDBGNDURYVHNT-UHFFFAOYSA-N -1 1 324.180 3.847 20 0 DHADMM O=C([O-])c1ccc(Nc2ccncc2Oc2ccccc2)cc1 ZINC001176707917 1035326142 /nfs/dbraw/zinc/32/61/42/1035326142.db2.gz NECFXNQVTJXJQZ-UHFFFAOYSA-N -1 1 306.321 3.738 20 0 DHADMM Cc1cccc(C2(C(=O)NCc3ccc([O-])c(Cl)c3)CC2)c1 ZINC001176988916 1035340495 /nfs/dbraw/zinc/34/04/95/1035340495.db2.gz UVXFIVRGMBXMAB-UHFFFAOYSA-N -1 1 315.800 3.702 20 0 DHADMM CC(C)CCC[C@@H](NCc1cnc(C(C)(C)C)s1)C(=O)[O-] ZINC000904038455 1035350036 /nfs/dbraw/zinc/35/00/36/1035350036.db2.gz MJWCKEUVDTYKOQ-CYBMUJFWSA-N -1 1 312.479 3.810 20 0 DHADMM Cc1cccc([C@@H](CC(=O)[O-])NCc2cc(C)cnc2Cl)c1 ZINC000904044768 1035351886 /nfs/dbraw/zinc/35/18/86/1035351886.db2.gz DALPYNSJOMHPLG-OAHLLOKOSA-N -1 1 318.804 3.657 20 0 DHADMM CC[C@H](NCc1csc2ccccc12)c1nc(C(=O)[O-])c[nH]1 ZINC000904065485 1035356771 /nfs/dbraw/zinc/35/67/71/1035356771.db2.gz RYJRMMDYPYQQKR-LBPRGKRZSA-N -1 1 315.398 3.564 20 0 DHADMM CCO[C@H](c1noc(Cc2ccc([O-])c(Cl)c2)n1)C(C)C ZINC000904127553 1035370380 /nfs/dbraw/zinc/37/03/80/1035370380.db2.gz OUQBNORPYIWKBD-AWEZNQCLSA-N -1 1 310.781 3.753 20 0 DHADMM CCO[C@H](c1noc(-c2cc(F)ccc2[O-])n1)C1CCCC1 ZINC000904143618 1035375791 /nfs/dbraw/zinc/37/57/91/1035375791.db2.gz PTQCMHQCTWSUHT-AWEZNQCLSA-N -1 1 306.337 3.849 20 0 DHADMM CC(C)c1oncc1[N-]C(=O)c1csc(-c2ccco2)n1 ZINC001177844071 1035395225 /nfs/dbraw/zinc/39/52/25/1035395225.db2.gz WJKPMPJMRFZBEE-UHFFFAOYSA-N -1 1 303.343 3.767 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@@H]1Cc2ccccc2S1 ZINC001179656551 1035487615 /nfs/dbraw/zinc/48/76/15/1035487615.db2.gz SEXJNXKGICYVHW-AWEZNQCLSA-N -1 1 323.776 3.840 20 0 DHADMM CCOc1nccc(C)c1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001179660120 1035488273 /nfs/dbraw/zinc/48/82/73/1035488273.db2.gz LTFWPYJYYKPHRY-UHFFFAOYSA-N -1 1 324.739 3.539 20 0 DHADMM CC1(C)CCC[C@@H](CNC(=O)c2ccc3ccccc3c2[O-])O1 ZINC001180009227 1035564726 /nfs/dbraw/zinc/56/47/26/1035564726.db2.gz DHGNMDGZDHLXMQ-AWEZNQCLSA-N -1 1 313.397 3.623 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CCCc2c(O)cccc21 ZINC000190818511 1035636511 /nfs/dbraw/zinc/63/65/11/1035636511.db2.gz YLNMRSIMZOMGJC-ZDUSSCGKSA-N -1 1 317.772 3.810 20 0 DHADMM C/C(=C\c1ccccc1)CN1CCOc2c(cccc2C(=O)[O-])C1 ZINC000905741946 1035639664 /nfs/dbraw/zinc/63/96/64/1035639664.db2.gz XMABYUORMRNTCE-NTCAYCPXSA-N -1 1 323.392 3.683 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(O)c2)c2ccccc12 ZINC001193825025 1035745842 /nfs/dbraw/zinc/74/58/42/1035745842.db2.gz SIACVHILEJQVOT-UHFFFAOYSA-N -1 1 313.378 3.655 20 0 DHADMM O=S(=O)([N-]c1ccccc1)c1cccc2c(Cl)nccc21 ZINC001194447638 1035941858 /nfs/dbraw/zinc/94/18/58/1035941858.db2.gz UEFXNKKURHIYNF-UHFFFAOYSA-N -1 1 318.785 3.689 20 0 DHADMM CC(C)c1ccc2c(c1)CCN(C(=O)c1ccc(F)c([O-])c1)C2 ZINC001181643368 1035949591 /nfs/dbraw/zinc/94/95/91/1035949591.db2.gz RBNPLHJWDMFFAY-UHFFFAOYSA-N -1 1 313.372 3.853 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N(CCc1ccccc1)C1CC1 ZINC000914490089 1035975680 /nfs/dbraw/zinc/97/56/80/1035975680.db2.gz YWRJNRJJDBULJX-UHFFFAOYSA-N -1 1 315.800 3.893 20 0 DHADMM CCC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)cccc1C ZINC001194642981 1035977580 /nfs/dbraw/zinc/97/75/80/1035977580.db2.gz OXPFXPBWUCEKIP-UHFFFAOYSA-N -1 1 317.410 3.697 20 0 DHADMM CC(C)(C)c1nsc([N-]C(=O)c2nsc3ccccc32)n1 ZINC000906544999 1036003889 /nfs/dbraw/zinc/00/38/89/1036003889.db2.gz SGPBTEOLEVCQSA-UHFFFAOYSA-N -1 1 318.427 3.698 20 0 DHADMM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ncc(C)cc1[O-] ZINC000494817065 1036052375 /nfs/dbraw/zinc/05/23/75/1036052375.db2.gz BOVDARXOORRDRB-IRXDYDNUSA-N -1 1 324.424 3.894 20 0 DHADMM CN1CCCN(Cc2ccc([O-])c(F)c2F)c2ccc(F)cc21 ZINC001182172991 1036104366 /nfs/dbraw/zinc/10/43/66/1036104366.db2.gz GUFNISNGOWZIMT-UHFFFAOYSA-N -1 1 322.330 3.656 20 0 DHADMM COc1cc(C)cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC001195155944 1036159839 /nfs/dbraw/zinc/15/98/39/1036159839.db2.gz CGRNJRKKCSPXGR-UHFFFAOYSA-N -1 1 319.426 3.928 20 0 DHADMM O=c1cc(C2CC2)nc(SCc2cnc3ccccc3c2)[n-]1 ZINC000540806942 1036161091 /nfs/dbraw/zinc/16/10/91/1036161091.db2.gz GNDDIWQKUFTPKY-UHFFFAOYSA-N -1 1 309.394 3.900 20 0 DHADMM CCc1cccc(OCC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000540959358 1036198822 /nfs/dbraw/zinc/19/88/22/1036198822.db2.gz GRGBNMWFQHNZKB-UHFFFAOYSA-N -1 1 305.761 3.626 20 0 DHADMM Cc1ccc2c(cccc2NC(=O)c2cc([O-])cnc2Cl)n1 ZINC001195308305 1036217119 /nfs/dbraw/zinc/21/71/19/1036217119.db2.gz BISNCYWEBXLLCK-UHFFFAOYSA-N -1 1 313.744 3.550 20 0 DHADMM Cc1ccnc2cc(NC(=O)c3cc([O-])cnc3Cl)ccc12 ZINC001195305255 1036217550 /nfs/dbraw/zinc/21/75/50/1036217550.db2.gz CQVQVJUPAXGVQQ-UHFFFAOYSA-N -1 1 313.744 3.550 20 0 DHADMM CCC1(NC(=O)c2cc([O-])cnc2Cl)CCC(F)(F)CC1 ZINC001195316094 1036220145 /nfs/dbraw/zinc/22/01/45/1036220145.db2.gz ZFCUPVUVRDXOBM-UHFFFAOYSA-N -1 1 318.751 3.529 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1cc(-c2ccccc2)cs1 ZINC001195458779 1036248701 /nfs/dbraw/zinc/24/87/01/1036248701.db2.gz UQOOFRSGCDKSOC-UHFFFAOYSA-N -1 1 306.412 3.858 20 0 DHADMM CCC1(CC)CCC(NC(=O)c2cnc(C3CC3)[n-]c2=O)CC1 ZINC000907680636 1036250981 /nfs/dbraw/zinc/25/09/81/1036250981.db2.gz VIXSFVFLSNKYFK-UHFFFAOYSA-N -1 1 317.433 3.538 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1cccc2c1[C@H](C)CC2(C)C ZINC001195490049 1036268853 /nfs/dbraw/zinc/26/88/53/1036268853.db2.gz BSMGUFCENPNOPX-SNVBAGLBSA-N -1 1 306.431 3.914 20 0 DHADMM C[C@H]1CCC[C@@H](C(=O)Nc2cccc([O-])c2Br)C1 ZINC000908713998 1036489102 /nfs/dbraw/zinc/48/91/02/1036489102.db2.gz YGMAURQWUGCZSH-VHSXEESVSA-N -1 1 312.207 3.920 20 0 DHADMM CC(=O)c1ccc(NC(=S)Nc2cc(F)c(F)cc2[O-])cc1 ZINC001196557262 1036567702 /nfs/dbraw/zinc/56/77/02/1036567702.db2.gz YQXAFKCIWHAJPO-UHFFFAOYSA-N -1 1 322.336 3.682 20 0 DHADMM CSc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)nc1 ZINC000487243464 1036615025 /nfs/dbraw/zinc/61/50/25/1036615025.db2.gz RQSHYFNZOQURAF-UHFFFAOYSA-N -1 1 309.778 3.807 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)c1csc2c1CCCC2 ZINC000909975695 1036727184 /nfs/dbraw/zinc/72/71/84/1036727184.db2.gz UHNPKLHBVOEJKM-UHFFFAOYSA-N -1 1 309.337 3.863 20 0 DHADMM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909984735 1036729508 /nfs/dbraw/zinc/72/95/08/1036729508.db2.gz SIGZYJKGZGULSZ-BDAKNGLRSA-N -1 1 309.337 3.783 20 0 DHADMM O=C(Nc1ccc(Cl)cc1[O-])c1nc(Cl)ccc1Cl ZINC000153534989 1036747049 /nfs/dbraw/zinc/74/70/49/1036747049.db2.gz VWNHVARWGXNIDF-UHFFFAOYSA-N -1 1 317.559 4.000 20 0 DHADMM O=S(=O)(Cc1cccc(Cl)c1Cl)[N-]c1cccs1 ZINC001197718073 1036844211 /nfs/dbraw/zinc/84/42/11/1036844211.db2.gz WROQYERXIUFUJM-UHFFFAOYSA-N -1 1 322.238 3.997 20 0 DHADMM CCOc1cc(C(=O)NC[C@H](C)C(C)(C)C)cc(Cl)c1[O-] ZINC000762604666 1036871054 /nfs/dbraw/zinc/87/10/54/1036871054.db2.gz JHLCDGOQBYWSIX-JTQLQIEISA-N -1 1 313.825 3.856 20 0 DHADMM C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ncc2ccccc2c1[O-] ZINC000668844834 1036976026 /nfs/dbraw/zinc/97/60/26/1036976026.db2.gz KKPWVEXVRFUAQI-WWGRRREGSA-N -1 1 310.397 3.734 20 0 DHADMM CC(C)CC(=O)Nc1ccc(NC(=O)c2ccccc2[O-])cc1 ZINC000026386960 1037001766 /nfs/dbraw/zinc/00/17/66/1037001766.db2.gz JNOIDFPYZFEABM-UHFFFAOYSA-N -1 1 312.369 3.629 20 0 DHADMM O=C(CC[C@H]1CC1(Cl)Cl)Nc1cc(F)cc(F)c1[O-] ZINC000910985784 1037018946 /nfs/dbraw/zinc/01/89/46/1037018946.db2.gz FBRNMPQAXGUXEQ-LURJTMIESA-N -1 1 310.127 3.583 20 0 DHADMM Cc1nc(C2CC2)ccc1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910987079 1037020636 /nfs/dbraw/zinc/02/06/36/1037020636.db2.gz JKWXASIYRWWFHX-UHFFFAOYSA-N -1 1 304.296 3.504 20 0 DHADMM O=C(Nc1ccc(F)c(F)c1)Nc1cc(F)cc(F)c1[O-] ZINC001185098888 1037023895 /nfs/dbraw/zinc/02/38/95/1037023895.db2.gz AJUKEYHTZALVDT-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM O=C(Nc1ccc(F)c(F)c1)Nc1c(F)cc([O-])cc1F ZINC001185099754 1037026731 /nfs/dbraw/zinc/02/67/31/1037026731.db2.gz MDRHBABMXGQQBB-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])Nc1ccc(F)c(F)c1F ZINC001185330292 1037113678 /nfs/dbraw/zinc/11/36/78/1037113678.db2.gz SUSIGSKDPJMYTL-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM CCC(CC)[C@@H](C)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000761487608 1037133654 /nfs/dbraw/zinc/13/36/54/1037133654.db2.gz DMTWBDAFUSYUJT-LLVKDONJSA-N -1 1 318.369 3.614 20 0 DHADMM O=S(=O)([N-]c1cccc2ncccc12)c1ccc2occc2c1 ZINC001198816863 1037138405 /nfs/dbraw/zinc/13/84/05/1037138405.db2.gz PXNWCALZLDCPGB-UHFFFAOYSA-N -1 1 324.361 3.782 20 0 DHADMM O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1ccccc1F ZINC000176728340 1037162743 /nfs/dbraw/zinc/16/27/43/1037162743.db2.gz WIMVXPROYTYAGL-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2C)cc(C)c1F ZINC001185828922 1037246358 /nfs/dbraw/zinc/24/63/58/1037246358.db2.gz KMOVUZLNEBSZJL-UHFFFAOYSA-N -1 1 311.353 3.691 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1F)Nc1c(F)cc(F)cc1F ZINC001186059309 1037308852 /nfs/dbraw/zinc/30/88/52/1037308852.db2.gz CZQQAUQGFPQAGV-UHFFFAOYSA-N -1 1 318.201 3.732 20 0 DHADMM COc1ccccc1CNC(=O)Nc1cc([O-])c(Cl)cc1F ZINC001186131771 1037319562 /nfs/dbraw/zinc/31/95/62/1037319562.db2.gz RZWLJRFVWOEOOP-UHFFFAOYSA-N -1 1 324.739 3.515 20 0 DHADMM CC(C)c1oncc1C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001199749237 1037328679 /nfs/dbraw/zinc/32/86/79/1037328679.db2.gz TVESREUPXBXJSG-UHFFFAOYSA-N -1 1 314.263 3.775 20 0 DHADMM [O-]c1c(NC(=S)Nc2cccnc2)cccc1C(F)(F)F ZINC001199906498 1037357866 /nfs/dbraw/zinc/35/78/66/1037357866.db2.gz GVRARGSKWFKLCF-UHFFFAOYSA-N -1 1 313.304 3.615 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H](Cc2ccccc2)C1 ZINC001186327778 1037358283 /nfs/dbraw/zinc/35/82/83/1037358283.db2.gz QRSIBLRMILIUJY-HNNXBMFYSA-N -1 1 313.372 3.626 20 0 DHADMM O=C(Nc1ccc(-c2cccnc2)cc1)c1ccc([O-])cc1F ZINC001186328412 1037359697 /nfs/dbraw/zinc/35/96/97/1037359697.db2.gz BAZOOSVVJSQSDX-UHFFFAOYSA-N -1 1 308.312 3.846 20 0 DHADMM Cc1ccc(OC(C)C)cc1NC(=O)c1ccc([O-])cc1F ZINC001186328447 1037360267 /nfs/dbraw/zinc/36/02/67/1037360267.db2.gz CHELRDHCUUHCGV-UHFFFAOYSA-N -1 1 303.333 3.879 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CCC2(C=Cc3ccccc32)CC1 ZINC001186318005 1037369634 /nfs/dbraw/zinc/36/96/34/1037369634.db2.gz BIFLDUWZFGXZAL-UHFFFAOYSA-N -1 1 323.367 3.732 20 0 DHADMM [O-]c1ccc(NC(=S)NCC2CCCCC2)c(F)c1F ZINC001199922321 1037370493 /nfs/dbraw/zinc/37/04/93/1037370493.db2.gz GRKPCRKHGKIEMU-UHFFFAOYSA-N -1 1 300.374 3.537 20 0 DHADMM O=C1CSc2ccc(NCc3cccc([O-])c3Cl)cc2N1 ZINC000328251993 1037738521 /nfs/dbraw/zinc/73/85/21/1037738521.db2.gz STJYBESYZOCGIA-UHFFFAOYSA-N -1 1 320.801 3.702 20 0 DHADMM O=C1CCCN1c1ccc(NCc2cccc([O-])c2Cl)cc1 ZINC000328278979 1037757190 /nfs/dbraw/zinc/75/71/90/1037757190.db2.gz YMLVCCGDRSLTDG-UHFFFAOYSA-N -1 1 316.788 3.785 20 0 DHADMM C[C@H](CSc1nccn1C1CC1)C(=O)c1ccc([O-])cc1 ZINC000916542979 1037777775 /nfs/dbraw/zinc/77/77/75/1037777775.db2.gz CALQAOPBRCETSC-LLVKDONJSA-N -1 1 302.399 3.535 20 0 DHADMM C[C@@H](CSc1nccn1C1CC1)C(=O)c1ccc([O-])cc1 ZINC000916542980 1037778667 /nfs/dbraw/zinc/77/86/67/1037778667.db2.gz CALQAOPBRCETSC-NSHDSACASA-N -1 1 302.399 3.535 20 0 DHADMM CC(=O)c1sc(C(C)(C)C)cc1[N-]S(=O)(=O)C1CCC1 ZINC001188104764 1037813043 /nfs/dbraw/zinc/81/30/43/1037813043.db2.gz MDQOYVPOFAGMAM-UHFFFAOYSA-N -1 1 315.460 3.542 20 0 DHADMM O=c1ccn(-c2ccc(Nc3cc4ccccc4[nH]c3=O)cc2)[n-]1 ZINC001201761491 1037885783 /nfs/dbraw/zinc/88/57/83/1037885783.db2.gz UMEWSABUMFNWPY-UHFFFAOYSA-N -1 1 318.336 3.575 20 0 DHADMM O=C(Nc1ccc(F)cc1F)Nc1cc(F)c([O-])cc1F ZINC001202024185 1037972221 /nfs/dbraw/zinc/97/22/21/1037972221.db2.gz SPPYGKSKPHEAIN-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(C(C)=O)c(C)c1 ZINC000187592967 1037980873 /nfs/dbraw/zinc/98/08/73/1037980873.db2.gz FLRUDRWODQUNNE-UHFFFAOYSA-N -1 1 317.410 3.561 20 0 DHADMM CCc1ccccc1S(=O)(=O)[N-]c1cc(F)c(OC)cc1C ZINC000187650872 1037983106 /nfs/dbraw/zinc/98/31/06/1037983106.db2.gz XCAHCVCZQSDLSU-UHFFFAOYSA-N -1 1 323.389 3.506 20 0 DHADMM O=C(Nc1cc(F)cc(F)c1[O-])Nc1c(F)cccc1F ZINC001202044800 1037986865 /nfs/dbraw/zinc/98/68/65/1037986865.db2.gz RJNBMSVIMNFJKN-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)ccc2C)c1 ZINC000126139456 1038039895 /nfs/dbraw/zinc/03/98/95/1038039895.db2.gz LPHHXYGTXPSBKL-UHFFFAOYSA-N -1 1 321.373 3.528 20 0 DHADMM O=c1cc(C(F)F)nc(SCc2ccc3cnccc3c2)[n-]1 ZINC001189476423 1038155129 /nfs/dbraw/zinc/15/51/29/1038155129.db2.gz KYNQXGMKCCTYKA-UHFFFAOYSA-N -1 1 319.336 3.960 20 0 DHADMM O=S(=O)(Cc1cccc(F)c1F)[N-]c1cccc2occc21 ZINC001189463101 1038157902 /nfs/dbraw/zinc/15/79/02/1038157902.db2.gz FEOZCXYPINSTFC-UHFFFAOYSA-N -1 1 323.320 3.653 20 0 DHADMM CCc1cccc(OCCSc2nc(CC)c(C)c(=O)[n-]2)c1 ZINC001189495056 1038160164 /nfs/dbraw/zinc/16/01/64/1038160164.db2.gz CMDLWPXUAXFTGZ-UHFFFAOYSA-N -1 1 318.442 3.787 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])[C@H]1CCc2c1cccc2Cl ZINC001151779765 1038178514 /nfs/dbraw/zinc/17/85/14/1038178514.db2.gz MFBQEOWABRDEQW-NSHDSACASA-N -1 1 305.736 3.853 20 0 DHADMM CN(C(=O)c1ccc2ccccc2c1[O-])c1ccc2c(c1)OCO2 ZINC000127873784 1038219186 /nfs/dbraw/zinc/21/91/86/1038219186.db2.gz HZVKUUBCBVRAMQ-UHFFFAOYSA-N -1 1 321.332 3.551 20 0 DHADMM Cc1nc(SCc2nc(C(C)(C)C)co2)[n-]c(=O)c1C1CC1 ZINC001189893125 1038233064 /nfs/dbraw/zinc/23/30/64/1038233064.db2.gz ZBQWZKKZRKRVJM-UHFFFAOYSA-N -1 1 319.430 3.946 20 0 DHADMM O=S(=O)([N-]c1ccc2ncoc2c1)c1ccc(C2CC2)cc1 ZINC001190463640 1038324630 /nfs/dbraw/zinc/32/46/30/1038324630.db2.gz IGDJABPBMHUDSI-UHFFFAOYSA-N -1 1 314.366 3.506 20 0 DHADMM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cn1 ZINC001190468870 1038327050 /nfs/dbraw/zinc/32/70/50/1038327050.db2.gz AXGMJIVMANBJGM-UHFFFAOYSA-N -1 1 316.426 3.883 20 0 DHADMM O=S(=O)([N-]c1ccc2c(c1)N=NC2)c1ccc(C2CC2)cc1 ZINC001190511383 1038333046 /nfs/dbraw/zinc/33/30/46/1038333046.db2.gz FAAOSIOQLAHZAY-UHFFFAOYSA-N -1 1 313.382 3.962 20 0 DHADMM O=S(=O)([N-]c1ccc2cccnc2c1)c1ccc(C2CC2)cc1 ZINC001190497630 1038336703 /nfs/dbraw/zinc/33/67/03/1038336703.db2.gz RNTOKLHRKLNMDL-UHFFFAOYSA-N -1 1 324.405 3.913 20 0 DHADMM CCCCNC(=O)Nc1c([O-])cc(C(F)(F)F)cc1Cl ZINC001190623314 1038348391 /nfs/dbraw/zinc/34/83/91/1038348391.db2.gz JSACJDPJBZSYQX-UHFFFAOYSA-N -1 1 310.703 3.986 20 0 DHADMM C[C@H]1CC(C)(C)c2cccc([N-]S(=O)(=O)c3ccncc3)c21 ZINC001190896483 1038402109 /nfs/dbraw/zinc/40/21/09/1038402109.db2.gz MGXUGJRGPOQKRD-LBPRGKRZSA-N -1 1 316.426 3.667 20 0 DHADMM COc1cc(C(=O)Nc2cnccc2C2CC2)cc(Cl)c1[O-] ZINC001191139879 1038457167 /nfs/dbraw/zinc/45/71/67/1038457167.db2.gz WRYRBVGKXANQHL-UHFFFAOYSA-N -1 1 318.760 3.579 20 0 DHADMM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)F)o1)[C@@H]1CCC[C@H](C)C1 ZINC001191393945 1038493608 /nfs/dbraw/zinc/49/36/08/1038493608.db2.gz BZSFIYPAQVEJCS-GARJFASQSA-N -1 1 321.389 3.710 20 0 DHADMM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)F)o1)[C@H]1CCC[C@@H](C)C1 ZINC001191393947 1038494320 /nfs/dbraw/zinc/49/43/20/1038494320.db2.gz BZSFIYPAQVEJCS-VWYCJHECSA-N -1 1 321.389 3.710 20 0 DHADMM Cc1c(F)ccc(C(=O)Nc2ccc3[nH][n-]c(=O)c3c2)c1Cl ZINC001191374668 1038497722 /nfs/dbraw/zinc/49/77/22/1038497722.db2.gz RDQMFIAEYHGJSW-UHFFFAOYSA-N -1 1 319.723 3.622 20 0 DHADMM CC(C)[C@@H](NCc1cccc([O-])c1Cl)C(=O)OC(C)(C)C ZINC000590186743 1038599283 /nfs/dbraw/zinc/59/92/83/1038599283.db2.gz WIIKSBGCJPCDSQ-CQSZACIVSA-N -1 1 313.825 3.502 20 0 DHADMM CC(C)(Cc1ccc(F)cc1)NC(=O)c1c(F)ccc([O-])c1F ZINC001192539916 1038677936 /nfs/dbraw/zinc/67/79/36/1038677936.db2.gz OKRONGFHSYMZPC-UHFFFAOYSA-N -1 1 323.314 3.561 20 0 DHADMM C[C@H]1C[C@@H](NC(=O)c2cc([O-])cc(F)c2F)c2ccccc21 ZINC001192679356 1038690039 /nfs/dbraw/zinc/69/00/39/1038690039.db2.gz SJKFIQTYYPKMQB-BJOHPYRUSA-N -1 1 303.308 3.649 20 0 DHADMM Cc1ccc2c(cccc2NC(=O)c2cc([O-])cc(F)c2F)n1 ZINC001192670888 1038690165 /nfs/dbraw/zinc/69/01/65/1038690165.db2.gz OSTOFGZBDYYAOL-UHFFFAOYSA-N -1 1 314.291 3.779 20 0 DHADMM Cc1c(C)c(NC(=O)c2cc([O-])cc(F)c2F)c(C)c(C)c1N ZINC001192670586 1038690551 /nfs/dbraw/zinc/69/05/51/1038690551.db2.gz KQVZRMKTHXLNDE-UHFFFAOYSA-N -1 1 320.339 3.739 20 0 DHADMM O=C([O-])C[C@@H](NCc1c(F)cccc1Cl)c1cccs1 ZINC000037088202 1039158616 /nfs/dbraw/zinc/15/86/16/1039158616.db2.gz HNYTVQVTTJHLEE-GFCCVEGCSA-N -1 1 313.781 3.846 20 0 DHADMM O=C(Nc1ccc(Oc2ccccc2)cn1)c1ccc(O)cc1[O-] ZINC000599576614 1039221704 /nfs/dbraw/zinc/22/17/04/1039221704.db2.gz ZRFUIHVHECVVJL-UHFFFAOYSA-N -1 1 322.320 3.537 20 0 DHADMM O=C(CSc1ccccc1Cl)Nc1c([O-])cccc1F ZINC000605439632 1039683779 /nfs/dbraw/zinc/68/37/79/1039683779.db2.gz JFJOEFGIILBYDX-UHFFFAOYSA-N -1 1 311.765 3.916 20 0 DHADMM COc1ccc(-c2ccc(C[N-]C(=O)C(F)(F)F)cc2)cc1 ZINC000172727903 1040016180 /nfs/dbraw/zinc/01/61/80/1040016180.db2.gz RSBXMQXFGUELAW-UHFFFAOYSA-N -1 1 309.287 3.541 20 0 DHADMM CCOCc1nc(=O)c2c(-c3ccc(C)s3)csc2[n-]1 ZINC000608102823 1040386433 /nfs/dbraw/zinc/38/64/33/1040386433.db2.gz LJSHVFJNAUJWAS-UHFFFAOYSA-N -1 1 306.412 3.970 20 0 DHADMM CCOc1ccc(SCC(=O)Nc2c([O-])cccc2F)cc1 ZINC000608365205 1040471295 /nfs/dbraw/zinc/47/12/95/1040471295.db2.gz BSVKXGVKHQXHJH-UHFFFAOYSA-N -1 1 321.373 3.661 20 0 DHADMM Cc1nc(-c2c[nH]c(C(=O)Nc3c([O-])cccc3F)c2)cs1 ZINC000608365269 1040472104 /nfs/dbraw/zinc/47/21/04/1040472104.db2.gz DUXXWRCSAGADIE-UHFFFAOYSA-N -1 1 317.345 3.544 20 0 DHADMM O=C(Nc1c([O-])cccc1F)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000608367005 1040473941 /nfs/dbraw/zinc/47/39/41/1040473941.db2.gz GBPRIGJIOXVITK-ONGXEEELSA-N -1 1 307.271 3.552 20 0 DHADMM O=C(Nc1c([O-])cccc1F)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000608365382 1040474452 /nfs/dbraw/zinc/47/44/52/1040474452.db2.gz DZKQETTYXOWVGZ-DTWKUNHWSA-N -1 1 307.271 3.552 20 0 DHADMM O=C(Cc1c[nH]c2ccc(Cl)cc12)Nc1c([O-])cccc1F ZINC000608365623 1040475008 /nfs/dbraw/zinc/47/50/08/1040475008.db2.gz OSAJFFDTXINWEM-UHFFFAOYSA-N -1 1 318.735 3.847 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000456779942 1040915523 /nfs/dbraw/zinc/91/55/23/1040915523.db2.gz AQDZPDBBLXYCAA-HTQZYQBOSA-N -1 1 323.261 3.978 20 0 DHADMM CCO[C@@H](CC(=O)Nc1ccc([O-])c(F)c1F)C1=CCCC1 ZINC000456779913 1040915887 /nfs/dbraw/zinc/91/58/87/1040915887.db2.gz IDKUQVCMBMRVOG-ZDUSSCGKSA-N -1 1 311.328 3.514 20 0 DHADMM CC(C)(C)OC1CC(CC(=O)Nc2ccc([O-])c(F)c2F)C1 ZINC000456781938 1040916931 /nfs/dbraw/zinc/91/69/31/1040916931.db2.gz KEJVLFDWNWENES-UHFFFAOYSA-N -1 1 313.344 3.593 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CCCc2sccc21 ZINC000456789603 1040918370 /nfs/dbraw/zinc/91/83/70/1040918370.db2.gz UTPHIPVZUAFBQB-SECBINFHSA-N -1 1 309.337 3.791 20 0 DHADMM CC1(CC(F)(F)F)CN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000457137708 1041027988 /nfs/dbraw/zinc/02/79/88/1041027988.db2.gz HQXCOOJVUNAQJU-UHFFFAOYSA-N -1 1 323.314 3.960 20 0 DHADMM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000131992707 334938455 /nfs/dbraw/zinc/93/84/55/334938455.db2.gz XYGJAKDEWHHWLX-NKWVEPMBSA-N -1 1 314.259 3.522 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)c(Cl)c1 ZINC000003532641 181030149 /nfs/dbraw/zinc/03/01/49/181030149.db2.gz YQWUPOFPCGOCBH-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cnc2c(F)cccc2c1 ZINC000343302021 334989062 /nfs/dbraw/zinc/98/90/62/334989062.db2.gz PQYGMYPITYBXQD-UHFFFAOYSA-N -1 1 316.719 3.985 20 0 DHADMM CC(C)(C)c1ncc(CN[C@H](CC2CCCCC2)C(=O)[O-])s1 ZINC000417610545 335010422 /nfs/dbraw/zinc/01/04/22/335010422.db2.gz NMVDZBPNOBNSAT-CQSZACIVSA-N -1 1 324.490 3.954 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCCCC[C@H]1c1ccncc1 ZINC000093969758 193332811 /nfs/dbraw/zinc/33/28/11/193332811.db2.gz ONQPWNREKROLAF-INIZCTEOSA-N -1 1 314.360 3.684 20 0 DHADMM Cc1ccc(-c2ccc(CN[C@H](C(=O)[O-])[C@@H](C)C3CC3)o2)cc1 ZINC000417642433 335026151 /nfs/dbraw/zinc/02/61/51/335026151.db2.gz VMGQHAFXDJOPHQ-UGSOOPFHSA-N -1 1 313.397 3.844 20 0 DHADMM CCOc1cc(C(=O)N(C)CC2CCCC2)cc(Cl)c1[O-] ZINC000273953979 130190043 /nfs/dbraw/zinc/19/00/43/130190043.db2.gz NJKHRKAEZCLWBP-UHFFFAOYSA-N -1 1 311.809 3.707 20 0 DHADMM CCOc1cc(C(=O)N2CC3(C2)CCCCC3)cc(Cl)c1[O-] ZINC000274976507 130278644 /nfs/dbraw/zinc/27/86/44/130278644.db2.gz WSFPFBQYZNBQDN-UHFFFAOYSA-N -1 1 323.820 3.851 20 0 DHADMM O=C(c1ncccc1[O-])N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000275137225 130293938 /nfs/dbraw/zinc/29/39/38/130293938.db2.gz PXXAGTGIMFGSCW-ZACQAIPSSA-N -1 1 322.408 3.586 20 0 DHADMM CN(Cc1nc(=O)c2sccc2[n-]1)[C@H]1C=CCCCCC1 ZINC000284014676 131041261 /nfs/dbraw/zinc/04/12/61/131041261.db2.gz OAAQHTLOZNPXED-LBPRGKRZSA-N -1 1 303.431 3.718 20 0 DHADMM Cc1oc(C(C)C)nc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000289152374 131362342 /nfs/dbraw/zinc/36/23/42/131362342.db2.gz TXJTUADAJJSIJH-UHFFFAOYSA-N -1 1 303.293 3.668 20 0 DHADMM O=c1cc(C(F)F)nc(SCc2csc(C3CC3)n2)[n-]1 ZINC000289306729 131372595 /nfs/dbraw/zinc/37/25/95/131372595.db2.gz CFVVPOZMUBTDPY-UHFFFAOYSA-N -1 1 315.370 3.746 20 0 DHADMM CCSc1cccc(F)c1[N-]C(=O)c1nnn(C(C)C)c1C ZINC000297635905 132026230 /nfs/dbraw/zinc/02/62/30/132026230.db2.gz CZJMADGNTVREOI-UHFFFAOYSA-N -1 1 322.409 3.671 20 0 DHADMM CCc1cc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)no1 ZINC000606891084 435343163 /nfs/dbraw/zinc/34/31/63/435343163.db2.gz SPKJZMXMJKMBDR-UHFFFAOYSA-N -1 1 317.732 3.798 20 0 DHADMM CCS[C@@H]1CC[C@H](N(C)C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000175393677 332889292 /nfs/dbraw/zinc/88/92/92/332889292.db2.gz CHRMUDAEKZLIEH-NWDGAFQWSA-N -1 1 313.850 3.792 20 0 DHADMM CC(C)C(C)(C)CNC(=O)c1ccc(Br)c([O-])c1 ZINC000220944110 331625463 /nfs/dbraw/zinc/62/54/63/331625463.db2.gz ODYZRZLBMQDJBN-UHFFFAOYSA-N -1 1 314.223 3.567 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000556935273 331755941 /nfs/dbraw/zinc/75/59/41/331755941.db2.gz BKAUSFURFNCCSV-HTQZYQBOSA-N -1 1 307.699 3.963 20 0 DHADMM Cc1cccc(S(=O)(=O)[N-]c2c(C)cccc2Cl)c1F ZINC000313202325 331911193 /nfs/dbraw/zinc/91/11/93/331911193.db2.gz AHPFIISZLOPMPB-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM Cc1cc(C)cc(CS(=O)(=O)[N-]c2ncccc2C(C)C)c1 ZINC000410338367 332113856 /nfs/dbraw/zinc/11/38/56/332113856.db2.gz DTLOESIVODDYNN-UHFFFAOYSA-N -1 1 318.442 3.764 20 0 DHADMM CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000410407893 332123934 /nfs/dbraw/zinc/12/39/34/332123934.db2.gz PGCYORJKLDAQPX-UHFFFAOYSA-N -1 1 322.405 3.837 20 0 DHADMM CCN(C(=O)c1ccc(Br)c([O-])c1)C1CCCC1 ZINC000133616412 332140906 /nfs/dbraw/zinc/14/09/06/332140906.db2.gz MXWISCCLQPREAS-UHFFFAOYSA-N -1 1 312.207 3.559 20 0 DHADMM CCc1ccc(CN[C@@H](C(=O)[O-])C23CC4CC(CC(C4)C2)C3)o1 ZINC000426780338 332152464 /nfs/dbraw/zinc/15/24/64/332152464.db2.gz QSHHPICAFZETCM-AFRKLYKTSA-N -1 1 317.429 3.601 20 0 DHADMM O=C([O-])[C@H](NCc1ccc2ccccc2c1)c1ccccc1F ZINC000426782651 332152584 /nfs/dbraw/zinc/15/25/84/332152584.db2.gz HIWXXVTVVKMWHA-GOSISDBHSA-N -1 1 309.340 3.894 20 0 DHADMM O=C([O-])[C@H](NCc1cc2ccccc2s1)c1ccc(O)cc1 ZINC000426784480 332153002 /nfs/dbraw/zinc/15/30/02/332153002.db2.gz MRPUOYGQPRSEHA-MRXNPFEDSA-N -1 1 313.378 3.522 20 0 DHADMM O=C([O-])[C@H](NCc1cc2ccccc2s1)c1cccs1 ZINC000426786400 332153388 /nfs/dbraw/zinc/15/33/88/332153388.db2.gz VHIMRYPBEXAZIV-CQSZACIVSA-N -1 1 303.408 3.878 20 0 DHADMM O=C([O-])[C@@H](NCc1cc2ccccc2s1)c1cccs1 ZINC000426786399 332153419 /nfs/dbraw/zinc/15/34/19/332153419.db2.gz VHIMRYPBEXAZIV-AWEZNQCLSA-N -1 1 303.408 3.878 20 0 DHADMM CC(C)Cc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000426793890 332154140 /nfs/dbraw/zinc/15/41/40/332154140.db2.gz RSMRRKDQOXABQY-GOSISDBHSA-N -1 1 315.388 3.940 20 0 DHADMM COc1ccccc1CN[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000426803792 332155493 /nfs/dbraw/zinc/15/54/93/332155493.db2.gz PGKQHCZLGGPRPI-OAHLLOKOSA-N -1 1 319.788 3.654 20 0 DHADMM O=C([O-])[C@@H](CCCc1ccccc1)NCc1cc2ccccc2o1 ZINC000426830466 332156259 /nfs/dbraw/zinc/15/62/59/332156259.db2.gz YHADEQMGVAVFPQ-GOSISDBHSA-N -1 1 323.392 3.999 20 0 DHADMM CCC[C@@H](C)C[C@H](NCc1cnc(C(C)(C)C)s1)C(=O)[O-] ZINC000426825697 332158242 /nfs/dbraw/zinc/15/82/42/332158242.db2.gz REBSPLNPYTUGQB-YPMHNXCESA-N -1 1 312.479 3.810 20 0 DHADMM Cc1cnc(C(=O)N(Cc2ccccc2)CC(C)(C)C)c([O-])c1 ZINC000427073866 332166241 /nfs/dbraw/zinc/16/62/41/332166241.db2.gz LKTJGISOWBOXPC-UHFFFAOYSA-N -1 1 312.413 3.784 20 0 DHADMM CC(C)(C)Oc1ccccc1NC(=O)c1ccc(O)cc1[O-] ZINC000115300056 332236356 /nfs/dbraw/zinc/23/63/56/332236356.db2.gz OEMYVPUPLMPYPG-UHFFFAOYSA-N -1 1 301.342 3.527 20 0 DHADMM O=C(NCCc1ccc(Cl)s1)c1cc(Cl)ccc1[O-] ZINC000049348975 332310700 /nfs/dbraw/zinc/31/07/00/332310700.db2.gz YJRIYQNANCBCPN-UHFFFAOYSA-N -1 1 316.209 3.733 20 0 DHADMM Cc1cc(OC(C)C)ccc1NC(=O)c1ccc([O-])cc1F ZINC000562317056 332574504 /nfs/dbraw/zinc/57/45/04/332574504.db2.gz BJVNECUMZCKHQR-UHFFFAOYSA-N -1 1 303.333 3.879 20 0 DHADMM O=C(Nc1ccc(Nc2ccccc2)nc1)c1ccc([O-])cc1F ZINC000181198148 333029717 /nfs/dbraw/zinc/02/97/17/333029717.db2.gz IDVRSXCYASAGHP-UHFFFAOYSA-N -1 1 323.327 3.922 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000181185208 333029736 /nfs/dbraw/zinc/02/97/36/333029736.db2.gz SNHAGRFQFMMNCT-AWEZNQCLSA-N -1 1 317.335 3.518 20 0 DHADMM CCc1cc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)ccc1C ZINC000319215216 333273634 /nfs/dbraw/zinc/27/36/34/333273634.db2.gz RXNPSIXCYWXPFG-UHFFFAOYSA-N -1 1 317.410 3.561 20 0 DHADMM O=C(NCCCc1cccc(Cl)c1)c1ccc([O-])cc1F ZINC000185338809 333369374 /nfs/dbraw/zinc/36/93/74/333369374.db2.gz YFUWWIYKMSDNAU-UHFFFAOYSA-N -1 1 307.752 3.547 20 0 DHADMM CN(CC1(c2ccccc2)CC1)C(=O)c1cc(Cl)ccc1[O-] ZINC000186747198 333377903 /nfs/dbraw/zinc/37/79/03/333377903.db2.gz HKSCZHLWHJDYRL-UHFFFAOYSA-N -1 1 315.800 3.849 20 0 DHADMM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1[O-] ZINC000531756389 333552115 /nfs/dbraw/zinc/55/21/15/333552115.db2.gz ZWBULFFXFPGLAW-VIFPVBQESA-N -1 1 309.724 3.591 20 0 DHADMM COc1ccc(F)cc1[C@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000436520505 333973619 /nfs/dbraw/zinc/97/36/19/333973619.db2.gz GSVSTZLFLMYKMZ-VIFPVBQESA-N -1 1 323.751 3.684 20 0 DHADMM CCCN(CC(=O)[O-])Cc1ccc(-c2cccc(F)c2F)o1 ZINC000414683006 334068235 /nfs/dbraw/zinc/06/82/35/334068235.db2.gz OPHUYYJUVPLNMT-UHFFFAOYSA-N -1 1 309.312 3.521 20 0 DHADMM O=C(CCCOc1cccc(F)c1)Nc1ccc([O-])c(Cl)c1 ZINC000111666049 334352758 /nfs/dbraw/zinc/35/27/58/334352758.db2.gz MJILECBKDXMFLI-UHFFFAOYSA-N -1 1 323.751 3.982 20 0 DHADMM O=C(COc1ccc2ccccc2c1)Nc1ccc(F)cc1[O-] ZINC000532012298 334371621 /nfs/dbraw/zinc/37/16/21/334371621.db2.gz FMLUQZAJLNAJBE-UHFFFAOYSA-N -1 1 311.312 3.702 20 0 DHADMM CC(C)COc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000532012781 334373876 /nfs/dbraw/zinc/37/38/76/334373876.db2.gz GUWYKYXYIICALU-UHFFFAOYSA-N -1 1 303.333 3.818 20 0 DHADMM COc1cc(C(=O)N2CC[C@@H](C(C)(C)C)C2)cc(Cl)c1[O-] ZINC000443132319 338445391 /nfs/dbraw/zinc/44/53/91/338445391.db2.gz KZSUWPOLSBCMRX-LLVKDONJSA-N -1 1 311.809 3.562 20 0 DHADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc3ccncc32)c1 ZINC000532037421 334382845 /nfs/dbraw/zinc/38/28/45/334382845.db2.gz UUCQVARZTSFOAR-UHFFFAOYSA-N -1 1 312.394 3.652 20 0 DHADMM COc1cc(C(=O)N[C@@H](C)C2CCCCC2)cc(Cl)c1[O-] ZINC000443280935 338448461 /nfs/dbraw/zinc/44/84/61/338448461.db2.gz JOUHEDGPFXSVHY-JTQLQIEISA-N -1 1 311.809 3.753 20 0 DHADMM C[C@@H](NC(=O)c1cncc([O-])c1)c1cccc(Cl)c1Cl ZINC000344722852 335271382 /nfs/dbraw/zinc/27/13/82/335271382.db2.gz TYPBVKUGLFDMKV-MRVPVSSYSA-N -1 1 311.168 3.585 20 0 DHADMM [O-]c1ccc(-c2noc([C@@H](F)Cc3ccccc3)n2)cc1F ZINC000445483377 338496518 /nfs/dbraw/zinc/49/65/18/338496518.db2.gz VNRFGAKJCBARDY-ZDUSSCGKSA-N -1 1 302.280 3.835 20 0 DHADMM CSc1ccc(Cl)cc1[N-]C(=O)c1ncc(F)cc1F ZINC000192231417 336022681 /nfs/dbraw/zinc/02/26/81/336022681.db2.gz JAEVUHUCPNAKAW-UHFFFAOYSA-N -1 1 314.744 3.987 20 0 DHADMM O=C([N-]c1nc(-c2cccs2)ns1)c1ccoc1Cl ZINC000192353472 336029922 /nfs/dbraw/zinc/02/99/22/336029922.db2.gz CNBIAHQLFCQHSA-UHFFFAOYSA-N -1 1 311.775 3.765 20 0 DHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1CC12CCCCC2 ZINC000532439574 336247332 /nfs/dbraw/zinc/24/73/32/336247332.db2.gz JZVJKIJLDAXLHF-CQSZACIVSA-N -1 1 311.385 3.691 20 0 DHADMM COc1cccc(CN(C)C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000392117630 336388641 /nfs/dbraw/zinc/38/86/41/336388641.db2.gz IXNXEPXYTMQRGX-UHFFFAOYSA-N -1 1 321.376 3.826 20 0 DHADMM CCOc1cc(C(=O)NCC23CCC(CC2)C3)cc(Cl)c1[O-] ZINC000357979161 336604933 /nfs/dbraw/zinc/60/49/33/336604933.db2.gz CBTLWBOSTZRNFL-UHFFFAOYSA-N -1 1 323.820 3.754 20 0 DHADMM Cc1cnc(C(=O)N(Cc2ccc(C)c(C)c2)C2CC2)c([O-])c1 ZINC000358618413 336637101 /nfs/dbraw/zinc/63/71/01/336637101.db2.gz UNNYNJBSMHUUBQ-UHFFFAOYSA-N -1 1 310.397 3.517 20 0 DHADMM Cc1ccc([C@@H]2CCN(C(=O)c3c(F)ccc([O-])c3F)C2)cc1 ZINC000368134238 336839167 /nfs/dbraw/zinc/83/91/67/336839167.db2.gz LLZGYRJJOIHJFS-CYBMUJFWSA-N -1 1 317.335 3.609 20 0 DHADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1cccc2ccccc21 ZINC000389926290 336924934 /nfs/dbraw/zinc/92/49/34/336924934.db2.gz XPEBKBUFAKAFGN-UHFFFAOYSA-N -1 1 319.332 3.919 20 0 DHADMM O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc([O-])cc1F ZINC000373660603 336968082 /nfs/dbraw/zinc/96/80/82/336968082.db2.gz PIRKLMBCLQSSNA-AULYBMBSSA-N -1 1 319.763 3.861 20 0 DHADMM Cc1ocnc1C(=O)[N-]c1cc(F)ccc1SCC(F)F ZINC000122660297 337017771 /nfs/dbraw/zinc/01/77/71/337017771.db2.gz YGYIYBCPUNLFPC-UHFFFAOYSA-N -1 1 316.304 3.732 20 0 DHADMM CC(F)(F)C(=O)[N-][C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000377407085 337052065 /nfs/dbraw/zinc/05/20/65/337052065.db2.gz HSXYPDQIGPMXDM-QMMMGPOBSA-N -1 1 310.127 3.588 20 0 DHADMM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000467084662 337168122 /nfs/dbraw/zinc/16/81/22/337168122.db2.gz KMCJMYFFHIMNSV-UHFFFAOYSA-N -1 1 319.401 3.814 20 0 DHADMM C/C=C\c1ccc([N-]S(=O)(=O)c2cccc(COC)c2)cc1 ZINC000583105512 337238066 /nfs/dbraw/zinc/23/80/66/337238066.db2.gz ZGTYPWDCHHBIFQ-HYXAFXHYSA-N -1 1 317.410 3.667 20 0 DHADMM CCc1csc([C@H]2CCCN(Cc3cc(O)cc(F)c3)C2)n1 ZINC000186206233 337254674 /nfs/dbraw/zinc/25/46/74/337254674.db2.gz GVMBYMNPNFGULK-ZDUSSCGKSA-N -1 1 320.433 3.930 20 0 DHADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1c(Cl)cccc1Cl ZINC000397479923 337264901 /nfs/dbraw/zinc/26/49/01/337264901.db2.gz DEGXXEGZQMRBAZ-UWVGGRQHSA-N -1 1 302.201 3.679 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1csc(C(F)(F)F)n1 ZINC000193635422 337460545 /nfs/dbraw/zinc/46/05/45/337460545.db2.gz LXOXZMJQBMLOSL-UHFFFAOYSA-N -1 1 322.695 3.773 20 0 DHADMM CC[C@H](OC1CCCC1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000420494402 337503517 /nfs/dbraw/zinc/50/35/17/337503517.db2.gz RBUAFUYLPOPHCA-AWEZNQCLSA-N -1 1 306.337 3.992 20 0 DHADMM O=C([O-])[C@@H]1CCCN(c2ccnc3cc(C(F)(F)F)ccc32)C1 ZINC000263392656 337627614 /nfs/dbraw/zinc/62/76/14/337627614.db2.gz GQYDCQIGEREFIC-SNVBAGLBSA-N -1 1 324.302 3.555 20 0 DHADMM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)c1 ZINC000536905140 337846433 /nfs/dbraw/zinc/84/64/33/337846433.db2.gz MHCHCEOCAFAJJR-UHFFFAOYSA-N -1 1 323.389 3.722 20 0 DHADMM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000057126234 337855174 /nfs/dbraw/zinc/85/51/74/337855174.db2.gz COEDFSLNTULVSL-CYBMUJFWSA-N -1 1 305.399 3.665 20 0 DHADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(Cl)ccc2C)c1 ZINC000121660337 337897087 /nfs/dbraw/zinc/89/70/87/337897087.db2.gz JADCJMRWCJOEEA-UHFFFAOYSA-N -1 1 318.760 3.565 20 0 DHADMM Cc1cccc2c(Cc3nc(-c4ccc([O-])cc4F)no3)c[nH]c21 ZINC000445455474 338017312 /nfs/dbraw/zinc/01/73/12/338017312.db2.gz KPXHYKBLDFOMGR-UHFFFAOYSA-N -1 1 323.327 3.962 20 0 DHADMM Cc1cccc(C)c1OCc1nc(-c2ccc([O-])cc2F)no1 ZINC000445455148 338017366 /nfs/dbraw/zinc/01/73/66/338017366.db2.gz JHXMRIOSIVZIDL-UHFFFAOYSA-N -1 1 314.316 3.777 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3ccccc3Cl)n2)c(F)c1 ZINC000445456006 338017435 /nfs/dbraw/zinc/01/74/35/338017435.db2.gz RSKPNOSJLFUFAG-UHFFFAOYSA-N -1 1 304.708 3.826 20 0 DHADMM C[C@@H](Oc1ccccc1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445459577 338018649 /nfs/dbraw/zinc/01/86/49/338018649.db2.gz DDZLSJGYVZEMIV-SNVBAGLBSA-N -1 1 300.289 3.721 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3ccc(Cl)cc3)n2)c(F)c1 ZINC000445463952 338033248 /nfs/dbraw/zinc/03/32/48/338033248.db2.gz RINROTZIHUYQIM-UHFFFAOYSA-N -1 1 304.708 3.826 20 0 DHADMM [O-]c1ccc(-c2noc(C(F)(F)c3ccccc3F)n2)c(F)c1 ZINC000445464220 338037819 /nfs/dbraw/zinc/03/78/19/338037819.db2.gz SQZMUELKTOECHW-UHFFFAOYSA-N -1 1 324.233 3.861 20 0 DHADMM Cc1ccc([C@H](NCc2cccc(Cl)c2F)C(=O)[O-])cc1 ZINC000426716032 338038948 /nfs/dbraw/zinc/03/89/48/338038948.db2.gz UMJCHGFLLVCGCW-HNNXBMFYSA-N -1 1 307.752 3.703 20 0 DHADMM C[C@@H](C(=O)[O-])[C@@H](NCc1ccsc1Cl)c1ccccc1 ZINC000426753093 338040796 /nfs/dbraw/zinc/04/07/96/338040796.db2.gz GTABETUINHGNPB-ZWNOBZJWSA-N -1 1 309.818 3.953 20 0 DHADMM CCOc1cc(C(=O)N(CC)CC(C)(C)C)cc(Cl)c1[O-] ZINC000428661820 338057979 /nfs/dbraw/zinc/05/79/79/338057979.db2.gz BSSQQRJWPTXXKY-UHFFFAOYSA-N -1 1 313.825 3.953 20 0 DHADMM O=C(Nc1cc(Cl)ccc1[O-])C(=O)c1ccc(Cl)s1 ZINC000430309760 338104904 /nfs/dbraw/zinc/10/49/04/338104904.db2.gz XJVLZFSRYBZNLQ-UHFFFAOYSA-N -1 1 316.165 3.582 20 0 DHADMM CCC(CC)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435427430 338239865 /nfs/dbraw/zinc/23/98/65/338239865.db2.gz LXOHDAUQLGQCLM-UHFFFAOYSA-N -1 1 314.209 3.599 20 0 DHADMM CCCc1cc(=O)[n-]c(SCCCCCn2cc(C)cn2)n1 ZINC000436127633 338259069 /nfs/dbraw/zinc/25/90/69/338259069.db2.gz FFZCJDNXSAAZTE-UHFFFAOYSA-N -1 1 320.462 3.602 20 0 DHADMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000436161017 338259948 /nfs/dbraw/zinc/25/99/48/338259948.db2.gz JWLAMRGPQLOGHK-UHFFFAOYSA-N -1 1 320.801 3.931 20 0 DHADMM CC[C@H]1C[C@@]1(NC(=O)c1ccc([O-])cc1F)c1cccc(C)c1 ZINC000436510926 338274624 /nfs/dbraw/zinc/27/46/24/338274624.db2.gz JSHAOUQFGREYJL-DJJJIMSYSA-N -1 1 313.372 3.895 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2nc(C(F)(F)F)c[nH]2)c([O-])c1 ZINC000436513147 338274683 /nfs/dbraw/zinc/27/46/83/338274683.db2.gz LNEZERLZVBKYIN-UHFFFAOYSA-N -1 1 313.279 3.510 20 0 DHADMM COc1cc(Cl)cc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000436520730 338274776 /nfs/dbraw/zinc/27/47/76/338274776.db2.gz ISHFSZNQEHZUPR-UHFFFAOYSA-N -1 1 320.707 3.910 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2ccc(-c3nnco3)cc2)c([O-])c1 ZINC000436526500 338275093 /nfs/dbraw/zinc/27/50/93/338275093.db2.gz JFHIWKRDBZJWSC-UHFFFAOYSA-N -1 1 323.352 3.818 20 0 DHADMM O=C(Nc1cnccc1Oc1ccccc1)c1cc(F)ccc1[O-] ZINC000436536009 338276023 /nfs/dbraw/zinc/27/60/23/338276023.db2.gz BOAOKPSQABKTBJ-UHFFFAOYSA-N -1 1 324.311 3.971 20 0 DHADMM CC(C)(C)c1cnc(CNC(=O)c2cc3ccccc3cc2[O-])o1 ZINC000436571054 338277713 /nfs/dbraw/zinc/27/77/13/338277713.db2.gz BTXLKBCQUSXKJT-UHFFFAOYSA-N -1 1 324.380 3.761 20 0 DHADMM CC(C)(C)c1cnc(CNC(=O)c2ccc3ccccc3c2[O-])o1 ZINC000436579471 338278199 /nfs/dbraw/zinc/27/81/99/338278199.db2.gz ZNKDREPAHBPNLM-UHFFFAOYSA-N -1 1 324.380 3.761 20 0 DHADMM C[C@@]1(c2ccccc2)CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000436583650 338278443 /nfs/dbraw/zinc/27/84/43/338278443.db2.gz OJIKIEDOVRKVTD-GOSISDBHSA-N -1 1 315.800 3.849 20 0 DHADMM COc1ccc(N(C)C(=O)c2ccc(C(C)C)cc2[O-])cc1F ZINC000436587066 338278521 /nfs/dbraw/zinc/27/85/21/338278521.db2.gz VFKUGHYUBZTJOW-UHFFFAOYSA-N -1 1 317.360 3.940 20 0 DHADMM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000436592449 338278966 /nfs/dbraw/zinc/27/89/66/338278966.db2.gz VKROEUSSYJUGFJ-INIZCTEOSA-N -1 1 315.388 3.933 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2c[nH]nc2-c2ccccn2)c([O-])c1 ZINC000436594238 338279106 /nfs/dbraw/zinc/27/91/06/338279106.db2.gz IBUYYOXMBZCUNY-UHFFFAOYSA-N -1 1 322.368 3.553 20 0 DHADMM [O-]c1c(-c2nc(Cc3cncs3)no2)ccc2ccccc21 ZINC000436597346 338279230 /nfs/dbraw/zinc/27/92/30/338279230.db2.gz UVELHGAYJMFJSE-UHFFFAOYSA-N -1 1 309.350 3.643 20 0 DHADMM CC1=C(c2ccco2)CN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000436621661 338280291 /nfs/dbraw/zinc/28/02/91/338280291.db2.gz AOMNDEUNJOPNDW-UHFFFAOYSA-N -1 1 317.772 3.958 20 0 DHADMM CC(C)[C@H]1C[C@@H](NC(=O)C(=O)c2ccc([O-])cc2)c2ccccc21 ZINC000436632190 338280582 /nfs/dbraw/zinc/28/05/82/338280582.db2.gz VSTZEPQRPHEOJO-QZTJIDSGSA-N -1 1 323.392 3.576 20 0 DHADMM CC(C)(C)[C@H]1CN(C(=O)C(=O)c2ccc([O-])cc2)c2ccccc21 ZINC000436628118 338280623 /nfs/dbraw/zinc/28/06/23/338280623.db2.gz WXCBXJWSDYLBDJ-INIZCTEOSA-N -1 1 323.392 3.751 20 0 DHADMM CC[C@H](C)n1nc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1C ZINC000436632111 338280654 /nfs/dbraw/zinc/28/06/54/338280654.db2.gz YAIYBIKEEADDAK-VIFPVBQESA-N -1 1 307.781 3.774 20 0 DHADMM O=C(NCC1(c2ccccc2)CC1)c1ccc(Cl)cc1[O-] ZINC000436673170 338282270 /nfs/dbraw/zinc/28/22/70/338282270.db2.gz DDVMTVRLAQOPLJ-UHFFFAOYSA-N -1 1 301.773 3.507 20 0 DHADMM C[C@@H](CNC(=O)c1ccc(Cl)cc1[O-])c1ccc(F)cc1 ZINC000436725601 338284294 /nfs/dbraw/zinc/28/42/94/338284294.db2.gz YBNYXGCKVZZCAV-JTQLQIEISA-N -1 1 307.752 3.718 20 0 DHADMM CCCN(CC(C)C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436752982 338285611 /nfs/dbraw/zinc/28/56/11/338285611.db2.gz UMCJMKCOPCHUOU-UHFFFAOYSA-N -1 1 303.324 3.919 20 0 DHADMM O=C(Nc1ccc(-c2nccs2)cc1)c1cc(F)ccc1[O-] ZINC000436753811 338285684 /nfs/dbraw/zinc/28/56/84/338285684.db2.gz GGJSYOICQSSADT-UHFFFAOYSA-N -1 1 314.341 3.907 20 0 DHADMM Cc1cccc(CN(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC000436762230 338286101 /nfs/dbraw/zinc/28/61/01/338286101.db2.gz DGETYCSKZYXBDO-UHFFFAOYSA-N -1 1 323.314 3.992 20 0 DHADMM CCN(Cc1ccc(Cl)cc1)C(=O)c1cc(F)ccc1[O-] ZINC000436760201 338286272 /nfs/dbraw/zinc/28/62/72/338286272.db2.gz NNTLFWMUYZYVHJ-UHFFFAOYSA-N -1 1 307.752 3.847 20 0 DHADMM CC1(C)CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000436764318 338286447 /nfs/dbraw/zinc/28/64/47/338286447.db2.gz QIXMSVZZNMCFSW-UHFFFAOYSA-N -1 1 301.308 3.673 20 0 DHADMM CCc1ccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000436768466 338286587 /nfs/dbraw/zinc/28/65/87/338286587.db2.gz WOQDSLUQTSOPQC-UHFFFAOYSA-N -1 1 305.761 3.869 20 0 DHADMM CC(=O)c1ccc(NC(=O)c2cccc(C)c2[O-])cc1Cl ZINC000436788843 338287437 /nfs/dbraw/zinc/28/74/37/338287437.db2.gz CHYGADZXGRBQCT-UHFFFAOYSA-N -1 1 303.745 3.809 20 0 DHADMM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1cc(F)ccc1[O-] ZINC000436791492 338287546 /nfs/dbraw/zinc/28/75/46/338287546.db2.gz JSMRPWHZDXKPGS-IOASZLSFSA-N -1 1 313.372 3.938 20 0 DHADMM O=C(NCc1cccc(-c2cccnc2)c1)c1cc(F)ccc1[O-] ZINC000436799853 338288015 /nfs/dbraw/zinc/28/80/15/338288015.db2.gz GJXHZOYYSLFSFC-UHFFFAOYSA-N -1 1 322.339 3.523 20 0 DHADMM CC(C)CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C(C)C ZINC000436818353 338288399 /nfs/dbraw/zinc/28/83/99/338288399.db2.gz KNCRYNGXGSNUSV-UHFFFAOYSA-N -1 1 303.324 3.918 20 0 DHADMM O=C(NCCCCCc1ccc(F)cc1)c1ccc([O-])cc1F ZINC000436835483 338289234 /nfs/dbraw/zinc/28/92/34/338289234.db2.gz WKEXVAZIQYFBLE-UHFFFAOYSA-N -1 1 319.351 3.813 20 0 DHADMM CC[C@H]1CN(C(=O)c2ccccc2[O-])c2cccc(Cl)c2O1 ZINC000436836438 338289242 /nfs/dbraw/zinc/28/92/42/338289242.db2.gz DUIDYEWGWOAFGA-NSHDSACASA-N -1 1 317.772 3.863 20 0 DHADMM O=C(NC[C@H]1CCc2ccccc21)c1ccc(Cl)cc1[O-] ZINC000436836808 338289299 /nfs/dbraw/zinc/28/92/99/338289299.db2.gz NDXXYJKOXPFGMJ-GFCCVEGCSA-N -1 1 301.773 3.505 20 0 DHADMM [O-]c1ccc(-c2noc(-c3ccc4cc[nH]c4n3)n2)c(Cl)c1 ZINC000436871944 338290989 /nfs/dbraw/zinc/29/09/89/338290989.db2.gz VCGFDAQSTVAKFX-UHFFFAOYSA-N -1 1 312.716 3.639 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3ccc(Cl)s3)n2)c(F)c1 ZINC000436877866 338291265 /nfs/dbraw/zinc/29/12/65/338291265.db2.gz IAHHPYMSSCAZOC-UHFFFAOYSA-N -1 1 310.737 3.887 20 0 DHADMM COc1cccc([C@H](C)NC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000436885675 338291677 /nfs/dbraw/zinc/29/16/77/338291677.db2.gz IOKZULPIAWNJQV-JTQLQIEISA-N -1 1 305.761 3.545 20 0 DHADMM O=C(NC[C@H]1CCC(F)(F)C1)c1cc2ccccc2cc1[O-] ZINC000436908416 338293005 /nfs/dbraw/zinc/29/30/05/338293005.db2.gz MRADPNUITQYPTR-NSHDSACASA-N -1 1 305.324 3.711 20 0 DHADMM Cc1ccncc1CN(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000436912839 338293203 /nfs/dbraw/zinc/29/32/03/338293203.db2.gz UIONGUMGFQEQIM-UHFFFAOYSA-N -1 1 306.365 3.521 20 0 DHADMM O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1c([O-])cccc1F ZINC000436933842 338294308 /nfs/dbraw/zinc/29/43/08/338294308.db2.gz UZOPVQXYGBFCGD-AULYBMBSSA-N -1 1 319.763 3.861 20 0 DHADMM COc1ccc(-c2nc([C@@H](C)c3ccc(C)cc3)no2)c([O-])c1 ZINC000436935619 338294472 /nfs/dbraw/zinc/29/44/72/338294472.db2.gz WRGMQRVXKLCFIH-LBPRGKRZSA-N -1 1 310.353 3.911 20 0 DHADMM COc1ccc(C(=O)N2CCC[C@@H](C)c3ccccc32)c([O-])c1 ZINC000436942071 338294949 /nfs/dbraw/zinc/29/49/49/338294949.db2.gz UCLFCXLGXOIJMX-CYBMUJFWSA-N -1 1 311.381 3.945 20 0 DHADMM CN(Cc1ccc(F)c(Cl)c1)C(=O)c1cc(F)ccc1[O-] ZINC000436948141 338295434 /nfs/dbraw/zinc/29/54/34/338295434.db2.gz IDOBIXJVWLFOKI-UHFFFAOYSA-N -1 1 311.715 3.596 20 0 DHADMM O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1c([O-])cccc1F ZINC000436953063 338295615 /nfs/dbraw/zinc/29/56/15/338295615.db2.gz ZXZYMVFEUMABRK-QPUJVOFHSA-N -1 1 323.726 3.610 20 0 DHADMM Cc1ccc(CCc2nc(-c3ccc([O-])cc3F)no2)s1 ZINC000436956365 338295868 /nfs/dbraw/zinc/29/58/68/338295868.db2.gz QOWLRAUVGZDNSU-UHFFFAOYSA-N -1 1 304.346 3.736 20 0 DHADMM O=C(N[C@H]1C[C@H](c2cccc(Cl)c2)C1)c1c([O-])cccc1F ZINC000437440286 338310208 /nfs/dbraw/zinc/31/02/08/338310208.db2.gz CZFJOEWBIMDQRA-AULYBMBSSA-N -1 1 319.763 3.861 20 0 DHADMM CCCOc1cccc(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000438771604 338351970 /nfs/dbraw/zinc/35/19/70/338351970.db2.gz IFRICGKSTWMWBZ-UHFFFAOYSA-N -1 1 307.296 3.712 20 0 DHADMM CCCc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000438803119 338352267 /nfs/dbraw/zinc/35/22/67/338352267.db2.gz DOAUMUVYQJONNY-UHFFFAOYSA-N -1 1 307.390 3.887 20 0 DHADMM CC(C)C[C@H](NC(=O)c1cncc([O-])c1)c1ccc(Cl)cc1 ZINC000439313419 338366694 /nfs/dbraw/zinc/36/66/94/338366694.db2.gz CWEMPHJAUHIZSB-INIZCTEOSA-N -1 1 318.804 3.958 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(C(F)(F)F)c(F)c1 ZINC000439753962 338377238 /nfs/dbraw/zinc/37/72/38/338377238.db2.gz DFGFYFOGTPIDBS-UHFFFAOYSA-N -1 1 317.213 3.942 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c(C)o1 ZINC000442245789 338423049 /nfs/dbraw/zinc/42/30/49/338423049.db2.gz BBXOVARXYOSUHJ-UHFFFAOYSA-N -1 1 321.732 3.629 20 0 DHADMM CCc1ccccc1S(=O)(=O)[N-]c1cc(C)cc(OC)c1C ZINC000447258403 338547905 /nfs/dbraw/zinc/54/79/05/338547905.db2.gz QZSPMTSOLRZFRW-UHFFFAOYSA-N -1 1 319.426 3.675 20 0 DHADMM Cn1ccc(C(=O)Nc2ccc([O-])c(F)c2F)c1C1CCC1 ZINC000456790919 338941015 /nfs/dbraw/zinc/94/10/15/338941015.db2.gz XCPYQNHWOSCKEE-UHFFFAOYSA-N -1 1 306.312 3.529 20 0 DHADMM C[C@@H](NCc1cc(=O)[nH]c(C2CC2)n1)c1ccc(F)c(Cl)c1 ZINC000459392021 339026633 /nfs/dbraw/zinc/02/66/33/339026633.db2.gz KXEOLKYDERNLOC-SECBINFHSA-N -1 1 321.783 3.703 20 0 DHADMM COc1cc(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)cc(Cl)c1[O-] ZINC000460199176 339028051 /nfs/dbraw/zinc/02/80/51/339028051.db2.gz AXXWRNOHHXTAFQ-UHIISALHSA-N -1 1 323.820 3.847 20 0 DHADMM Cc1cnc(C(=O)N2CCC[C@H]2CC2CCCCC2)c([O-])c1 ZINC000460284165 339054300 /nfs/dbraw/zinc/05/43/00/339054300.db2.gz UZGLZSQINTVVCA-HNNXBMFYSA-N -1 1 302.418 3.671 20 0 DHADMM CCCN1C(=O)C2(CCCCC2)N[C@H]1c1ccc([O-])c(Cl)c1 ZINC000463026528 339101372 /nfs/dbraw/zinc/10/13/72/339101372.db2.gz ZIHYSOVYZLICPI-OAHLLOKOSA-N -1 1 322.836 3.589 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)C(C)(C)C(F)F)c1 ZINC000472509864 339372932 /nfs/dbraw/zinc/37/29/32/339372932.db2.gz ZVAKTBCRLKXWOW-UHFFFAOYSA-N -1 1 322.149 3.693 20 0 DHADMM CSc1ccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)cc1 ZINC000476271684 339473000 /nfs/dbraw/zinc/47/30/00/339473000.db2.gz IBSGLVZRQCEOSS-UHFFFAOYSA-N -1 1 311.403 3.657 20 0 DHADMM CCc1cc([N-]S(=O)(=O)c2ccccc2COC)ccc1C ZINC000484070866 339680416 /nfs/dbraw/zinc/68/04/16/339680416.db2.gz HIYRPDVLQCEMKB-UHFFFAOYSA-N -1 1 319.426 3.505 20 0 DHADMM COCc1ccccc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C ZINC000485094076 339698491 /nfs/dbraw/zinc/69/84/91/339698491.db2.gz FYCLBCBRZQYOKU-UHFFFAOYSA-N -1 1 319.426 3.559 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1cc(F)c(Cl)cc1F ZINC000493947959 339937297 /nfs/dbraw/zinc/93/72/97/339937297.db2.gz YLTASOVEFJKVRQ-UHFFFAOYSA-N -1 1 301.651 3.715 20 0 DHADMM CCCCCN(C(=O)c1cc(F)cc2nn[nH]c21)[C@H](C)CCC ZINC000503182747 340122800 /nfs/dbraw/zinc/12/28/00/340122800.db2.gz SQPCJTRNRJOPDR-GFCCVEGCSA-N -1 1 320.412 3.918 20 0 DHADMM CN(C[C@@H]1CC=CCC1)C(=O)c1ccc(Br)cc1[O-] ZINC000402732162 340260349 /nfs/dbraw/zinc/26/03/49/340260349.db2.gz GUPSSTFFLBBZFW-LLVKDONJSA-N -1 1 324.218 3.583 20 0 DHADMM CCc1cccc([N-]S(=O)(=O)c2cccc(SC)c2)c1 ZINC000509103757 340261396 /nfs/dbraw/zinc/26/13/96/340261396.db2.gz RJVZHMNMMJFTCP-UHFFFAOYSA-N -1 1 307.440 3.772 20 0 DHADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2C)c1 ZINC000509102599 340261454 /nfs/dbraw/zinc/26/14/54/340261454.db2.gz HINZVNCBEDOVEA-UHFFFAOYSA-N -1 1 311.403 3.657 20 0 DHADMM COc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)c([O-])c1 ZINC000302900166 340285525 /nfs/dbraw/zinc/28/55/25/340285525.db2.gz QCEKLVINTYUJSN-UHFFFAOYSA-N -1 1 315.369 3.656 20 0 DHADMM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cncc([O-])c2)o1 ZINC000173222957 340360609 /nfs/dbraw/zinc/36/06/09/340360609.db2.gz GYZWCLUQGGBGFV-LRDDRELGSA-N -1 1 314.385 3.556 20 0 DHADMM C[C@@H](c1ccccc1)[C@](C)(O)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000305813662 340389605 /nfs/dbraw/zinc/38/96/05/340389605.db2.gz KXIBTXBVKZPUPA-GTNSWQLSSA-N -1 1 319.788 3.539 20 0 DHADMM CCOc1ccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)c(C)c1 ZINC000176693815 340430303 /nfs/dbraw/zinc/43/03/03/340430303.db2.gz AEGOLYSFOIVBHR-UHFFFAOYSA-N -1 1 323.389 3.642 20 0 DHADMM COc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c(OC)c1 ZINC000192168504 340563805 /nfs/dbraw/zinc/56/38/05/340563805.db2.gz DHWVVZKCWCMNCE-UHFFFAOYSA-N -1 1 322.748 3.707 20 0 DHADMM C[C@@]1(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CCCO1 ZINC000529539102 340760935 /nfs/dbraw/zinc/76/09/35/340760935.db2.gz PNXJAGWHXZBFTA-INIZCTEOSA-N -1 1 305.761 3.706 20 0 DHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)[C@H]1CCCOC1 ZINC000529538884 340761063 /nfs/dbraw/zinc/76/10/63/340761063.db2.gz MOFGJBASSLRCNG-JTQLQIEISA-N -1 1 305.761 3.564 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2c(F)cccc2Cl)c(F)c1 ZINC000125299559 340803412 /nfs/dbraw/zinc/80/34/12/340803412.db2.gz OOAJSANFCFUTFW-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM Cc1ccc(SCCNC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000540517331 340934594 /nfs/dbraw/zinc/93/45/94/340934594.db2.gz MMIWPMVBMYOSNZ-UHFFFAOYSA-N -1 1 323.364 3.501 20 0 DHADMM Cc1ccc([C@H]2CCN(C(=O)c3ccc(Cl)cc3[O-])C2)cc1 ZINC000544286216 341075965 /nfs/dbraw/zinc/07/59/65/341075965.db2.gz WKGNBFRBKGFYQG-AWEZNQCLSA-N -1 1 315.800 3.984 20 0 DHADMM CCOc1cc(C(=O)N[C@H](C)C[C@H](C)CC)cc(Cl)c1[O-] ZINC000545149703 341110483 /nfs/dbraw/zinc/11/04/83/341110483.db2.gz NGZXOCHOGNOTQF-GHMZBOCLSA-N -1 1 313.825 3.999 20 0 DHADMM COc1cc(C(=O)N[C@@H](C)CCCC(C)C)cc(Cl)c1[O-] ZINC000547300086 341204042 /nfs/dbraw/zinc/20/40/42/341204042.db2.gz IDRLMICEFHBESV-NSHDSACASA-N -1 1 313.825 3.999 20 0 DHADMM O=C(Nc1ccc(F)c(Br)c1)c1ccccc1[O-] ZINC000135391490 341238519 /nfs/dbraw/zinc/23/85/19/341238519.db2.gz HEFDKWLBXUTHEY-UHFFFAOYSA-N -1 1 310.122 3.546 20 0 DHADMM CCCc1nnc([N-]C(=O)c2coc(C3CCCCC3)n2)s1 ZINC000547931245 341239615 /nfs/dbraw/zinc/23/96/15/341239615.db2.gz IRAKYEQUIQWZHV-UHFFFAOYSA-N -1 1 320.418 3.779 20 0 DHADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c1 ZINC000078677186 341246029 /nfs/dbraw/zinc/24/60/29/341246029.db2.gz YILMDVMJFLDNRY-UHFFFAOYSA-N -1 1 300.383 3.586 20 0 DHADMM O=S(=O)([N-]c1ccc2ncccc2c1)c1cccc(Cl)c1 ZINC000135915325 341248211 /nfs/dbraw/zinc/24/82/11/341248211.db2.gz IITRTIXTLHZVNE-UHFFFAOYSA-N -1 1 318.785 3.689 20 0 DHADMM Cc1cnc(C(=O)N2CCCCC[C@H]2c2ccccc2)c([O-])c1 ZINC000548627661 341267841 /nfs/dbraw/zinc/26/78/41/341267841.db2.gz MFDIAWUTSDOGQA-INIZCTEOSA-N -1 1 310.397 3.853 20 0 DHADMM CCOc1cc(C(=O)NCC2CC(C)(C)C2)cc(Cl)c1[O-] ZINC000548712917 341270261 /nfs/dbraw/zinc/27/02/61/341270261.db2.gz NBNSFPHZRNBFFO-UHFFFAOYSA-N -1 1 311.809 3.610 20 0 DHADMM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000091018384 341421232 /nfs/dbraw/zinc/42/12/32/341421232.db2.gz LXUHZLJTZMQUCV-UHFFFAOYSA-N -1 1 323.389 3.722 20 0 DHADMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccccc1Cl ZINC000564751249 341508476 /nfs/dbraw/zinc/50/84/76/341508476.db2.gz YEIMINQUCPPOKQ-QMMMGPOBSA-N -1 1 311.715 3.815 20 0 DHADMM C[C@@H]1C[C@@H]1CC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000567474781 341609011 /nfs/dbraw/zinc/60/90/11/341609011.db2.gz RGETWKNAAPNAIY-RNFRBKRXSA-N -1 1 318.598 3.793 20 0 DHADMM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000276152274 341654850 /nfs/dbraw/zinc/65/48/50/341654850.db2.gz DCJYHVYJITUHGF-LLVKDONJSA-N -1 1 321.726 3.849 20 0 DHADMM COc1cc(C(=O)N[C@@H]2CCC[C@H](C3CC3)C2)cc(Cl)c1[O-] ZINC000575175725 341783275 /nfs/dbraw/zinc/78/32/75/341783275.db2.gz MUXDAOKQNISWKW-WCQYABFASA-N -1 1 323.820 3.753 20 0 DHADMM O=c1cc(C2CC2)nc(SCc2cc(-c3ccco3)on2)[n-]1 ZINC000188143946 526332348 /nfs/dbraw/zinc/33/23/48/526332348.db2.gz KOBFXSNAUDUHIZ-UHFFFAOYSA-N -1 1 315.354 3.600 20 0 DHADMM O=C([N-]c1c(F)cccc1Oc1ccccc1)c1csnn1 ZINC000107270308 527093358 /nfs/dbraw/zinc/09/33/58/527093358.db2.gz PSYPBSOUJUVDKO-UHFFFAOYSA-N -1 1 315.329 3.722 20 0 DHADMM O=C([O-])CCN1Cc2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000238164504 527590325 /nfs/dbraw/zinc/59/03/25/527590325.db2.gz GHLBYUCFRSJBPE-KRWDZBQOSA-N -1 1 315.800 3.914 20 0 DHADMM CCc1oc2ccccc2c1CN(C)Cc1cc(C(=O)[O-])co1 ZINC000737290356 599846327 /nfs/dbraw/zinc/84/63/27/599846327.db2.gz NBELVOVTGMKEGT-UHFFFAOYSA-N -1 1 313.353 3.918 20 0 DHADMM C[C@H](CN(Cc1csc(-c2ccsc2)n1)C1CC1)C(=O)[O-] ZINC000571570373 599947611 /nfs/dbraw/zinc/94/76/11/599947611.db2.gz CHYYCLYQODLKNU-SNVBAGLBSA-N -1 1 322.455 3.557 20 0 DHADMM C[C@H](N[C@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1Cl ZINC000050509816 600241327 /nfs/dbraw/zinc/24/13/27/600241327.db2.gz AOWKHOCLTXQGKK-BONVTDFDSA-N -1 1 307.752 3.956 20 0 DHADMM Cc1oc(C(=O)[O-])cc1C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000738964250 600263326 /nfs/dbraw/zinc/26/33/26/600263326.db2.gz SBMBITQZSUTTQF-CQSZACIVSA-N -1 1 303.358 3.997 20 0 DHADMM Cc1cc(CN(C)[C@H]2CCCc3nc(C)sc32)oc1C(=O)[O-] ZINC000652413263 600336149 /nfs/dbraw/zinc/33/61/49/600336149.db2.gz HVEHFUPCIXGLBO-ZDUSSCGKSA-N -1 1 320.414 3.561 20 0 DHADMM C[C@@H](CN(C)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000263517678 600363231 /nfs/dbraw/zinc/36/32/31/600363231.db2.gz PJHKJRGWIYXPLE-JTQLQIEISA-N -1 1 324.833 3.616 20 0 DHADMM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000739517719 600398421 /nfs/dbraw/zinc/39/84/21/600398421.db2.gz QRCGMYZPBFFPDZ-JQWIXIFHSA-N -1 1 321.726 3.740 20 0 DHADMM Cc1ccc([C@@H]2CCCCCN2Cc2cc(C(=O)[O-])co2)o1 ZINC000738584116 600443121 /nfs/dbraw/zinc/44/31/21/600443121.db2.gz TWIYXWMYMWSXNA-HNNXBMFYSA-N -1 1 303.358 3.997 20 0 DHADMM O=C([O-])c1cccc(CN2CCSC[C@H]2c2ccccc2)c1 ZINC000740220708 600630445 /nfs/dbraw/zinc/63/04/45/600630445.db2.gz HBORVSZGKGFGTJ-KRWDZBQOSA-N -1 1 313.422 3.675 20 0 DHADMM CCOc1cccc([C@H](C)N[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000830099503 600744431 /nfs/dbraw/zinc/74/44/31/600744431.db2.gz GNIWXXNHBKJOAW-YVEFUNNKSA-N -1 1 317.360 3.701 20 0 DHADMM C[C@H]1C[C@H](c2ccccc2F)N(Cc2occc2C(=O)[O-])C1 ZINC000575995366 600839791 /nfs/dbraw/zinc/83/97/91/600839791.db2.gz MIQYZFHYMVTFRI-XHDPSFHLSA-N -1 1 303.333 3.700 20 0 DHADMM C[C@@H]1C[C@H](c2ccccc2F)N(Cc2ccc(C(=O)[O-])o2)C1 ZINC000582425577 600840041 /nfs/dbraw/zinc/84/00/41/600840041.db2.gz DOXZMBGIRBRNTB-IAQYHMDHSA-N -1 1 303.333 3.700 20 0 DHADMM CCCC[C@@H](C(=O)[O-])N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000829286057 600998575 /nfs/dbraw/zinc/99/85/75/600998575.db2.gz QEPZHXOUCBHUJG-INIZCTEOSA-N -1 1 320.820 3.823 20 0 DHADMM O=C([O-])c1sccc1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000569732254 601492792 /nfs/dbraw/zinc/49/27/92/601492792.db2.gz BCSKUSWFMIVIBU-UHFFFAOYSA-N -1 1 307.337 3.611 20 0 DHADMM O=C([O-])[C@H]1c2ccccc2CCN1Cc1ccc(Cl)s1 ZINC000043594153 601541359 /nfs/dbraw/zinc/54/13/59/601541359.db2.gz CCIDLZYEIVUGOJ-CQSZACIVSA-N -1 1 307.802 3.586 20 0 DHADMM CN(Cc1cc2ccccc2o1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000830811115 601649225 /nfs/dbraw/zinc/64/92/25/601649225.db2.gz NGEYUAYKHJIZTL-UHFFFAOYSA-N -1 1 313.328 3.902 20 0 DHADMM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc(F)cc1F)c1ccccc1 ZINC000574622764 601654023 /nfs/dbraw/zinc/65/40/23/601654023.db2.gz VFFKWCFJMFMBSC-BDJLRTHQSA-N -1 1 305.324 3.516 20 0 DHADMM Cc1csc(C2(NCc3ccsc3C(=O)[O-])CCCC2)n1 ZINC000832988902 601837147 /nfs/dbraw/zinc/83/71/47/601837147.db2.gz NIGWZIOQECOQJA-UHFFFAOYSA-N -1 1 322.455 3.770 20 0 DHADMM CCc1nc2c(s1)[C@H](N(C)Cc1ccoc1C(=O)[O-])CCC2 ZINC000652431580 602053741 /nfs/dbraw/zinc/05/37/41/602053741.db2.gz BRAKEHYXTNJCHR-GFCCVEGCSA-N -1 1 320.414 3.506 20 0 DHADMM C[C@H](NCc1ccc(NC(=O)[O-])nc1)c1ccccc1Cl ZINC000825501810 603529785 /nfs/dbraw/zinc/52/97/85/603529785.db2.gz FNBLGLSDNYNWEA-JTQLQIEISA-N -1 1 305.765 3.676 20 0 DHADMM C[C@H](NCc1ccc(NC(=O)[O-])nc1)c1ccc(F)c(Cl)c1 ZINC000825501657 603540143 /nfs/dbraw/zinc/54/01/43/603540143.db2.gz DPWSOGWRYVCYLF-VIFPVBQESA-N -1 1 323.755 3.815 20 0 DHADMM CN(Cc1cc(Cl)ccc1F)[C@@H](C(=O)[O-])c1ccccc1 ZINC000833694209 604644734 /nfs/dbraw/zinc/64/47/34/604644734.db2.gz DVUSBJSIKBPNTM-OAHLLOKOSA-N -1 1 307.752 3.737 20 0 DHADMM CC(C)(C(=O)[O-])[C@@H]1CCCN(c2ccnc3cc(F)ccc32)C1 ZINC000833419810 604873549 /nfs/dbraw/zinc/87/35/49/604873549.db2.gz VVFWRLVLPKNIHB-GFCCVEGCSA-N -1 1 316.376 3.701 20 0 DHADMM CC[C@@H](C)Oc1cc(C)ccc1CNCc1ccoc1C(=O)[O-] ZINC000833640976 605118093 /nfs/dbraw/zinc/11/80/93/605118093.db2.gz LETUIAQHKRLAET-CYBMUJFWSA-N -1 1 317.385 3.753 20 0 DHADMM Cc1ccc([C@H](C)NCc2ccc([C@H](C)NC(=O)[O-])cc2)o1 ZINC000830257494 605119907 /nfs/dbraw/zinc/11/99/07/605119907.db2.gz UZLJGKADJQBEJU-STQMWFEESA-N -1 1 302.374 3.767 20 0 DHADMM O=C([O-])Nc1ccc(CN2CCC[C@@H]2c2cccs2)cn1 ZINC000834260058 605467034 /nfs/dbraw/zinc/46/70/34/605467034.db2.gz KGTPNBIMAOGXLC-GFCCVEGCSA-N -1 1 303.387 3.570 20 0 DHADMM CC(C)(C(=O)[O-])c1ccc(NCc2[nH]nc3ccccc32)cc1 ZINC000833418815 605545574 /nfs/dbraw/zinc/54/55/74/605545574.db2.gz OIPCBIHBGNJHFQ-UHFFFAOYSA-N -1 1 309.369 3.537 20 0 DHADMM Cc1noc(C)c1[C@H](C)N[C@@H]1CCc2cc(NC(=O)[O-])ccc21 ZINC000833928602 605612345 /nfs/dbraw/zinc/61/23/45/605612345.db2.gz HGUNFUNKLWWFST-BJOHPYRUSA-N -1 1 315.373 3.719 20 0 DHADMM C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(C(=O)[O-])cc1F ZINC000833604055 605701072 /nfs/dbraw/zinc/70/10/72/605701072.db2.gz COKQBKCXLQCCSE-JOYOIKCWSA-N -1 1 319.298 3.687 20 0 DHADMM C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000833606621 605704164 /nfs/dbraw/zinc/70/41/64/605704164.db2.gz SGTJEDJLIJOVIZ-GXSJLCMTSA-N -1 1 319.298 3.687 20 0 DHADMM CC(C)N(Cc1cccs1)Cc1cc(C(=O)[O-])ccc1F ZINC000062754879 605829090 /nfs/dbraw/zinc/82/90/90/605829090.db2.gz HFCFIDWCINUTEB-UHFFFAOYSA-N -1 1 307.390 3.996 20 0 DHADMM Clc1ccc(Oc2ccc3ccccc3c2)nc1-c1nnn[n-]1 ZINC000822579177 606439370 /nfs/dbraw/zinc/43/93/70/606439370.db2.gz WUDASGQMTIKPRD-UHFFFAOYSA-N -1 1 323.743 3.861 20 0 DHADMM Clc1ccc(Oc2ccc3ccccc3c2)nc1-c1nn[n-]n1 ZINC000822579177 606439371 /nfs/dbraw/zinc/43/93/71/606439371.db2.gz WUDASGQMTIKPRD-UHFFFAOYSA-N -1 1 323.743 3.861 20 0 DHADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ncccc2Cl)c1C ZINC000180194760 1013060653 /nfs/dbraw/zinc/06/06/53/1013060653.db2.gz HSHIUTXDURKFNV-UHFFFAOYSA-N -1 1 324.833 3.769 20 0 DHADMM O=C(N[C@@H](c1ccccc1F)C1CCCC1)c1cncc([O-])c1 ZINC000339914326 1013068263 /nfs/dbraw/zinc/06/82/63/1013068263.db2.gz SAJVUIFYPMAZGQ-QGZVFWFLSA-N -1 1 314.360 3.588 20 0 DHADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2csc(C3CCCCC3)n2)C1 ZINC000263369987 950410240 /nfs/dbraw/zinc/41/02/40/950410240.db2.gz VCTQEHZTNHHCBA-TZMCWYRMSA-N -1 1 322.474 3.733 20 0 DHADMM C[C@H]1CCN(Cc2ccc(Cl)cc2Cl)C[C@H]1C(=O)[O-] ZINC000647368234 953956617 /nfs/dbraw/zinc/95/66/17/953956617.db2.gz LCMXEUIHQPLOGI-JOYOIKCWSA-N -1 1 302.201 3.536 20 0 DHADMM C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000652495672 954089892 /nfs/dbraw/zinc/08/98/92/954089892.db2.gz AQQCKGSMRUNGJY-QWHCGFSZSA-N -1 1 308.422 3.610 20 0 DHADMM O=C([O-])[C@@H](NCc1cc(F)ccc1Cl)c1ccc(F)cc1 ZINC001594843806 954110555 /nfs/dbraw/zinc/11/05/55/954110555.db2.gz RNBVZKJUTBRJPH-AWEZNQCLSA-N -1 1 311.715 3.534 20 0 DHADMM CC(C)(C)c1nc(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cs1 ZINC000387628352 972130371 /nfs/dbraw/zinc/13/03/71/972130371.db2.gz XWGDOXMFNPVLSB-GFCCVEGCSA-N -1 1 324.490 3.763 20 0 DHADMM CCCN(CC(=O)[O-])Cc1cnc(-c2ccc(C)c(C)c2)s1 ZINC000901605967 956369846 /nfs/dbraw/zinc/36/98/46/956369846.db2.gz ZEDBDDVSQNXOOE-UHFFFAOYSA-N -1 1 318.442 3.724 20 0 DHADMM O=C([O-])c1ccc(CN[C@@H]2CCCOc3ccc(F)cc32)s1 ZINC000903677824 956857309 /nfs/dbraw/zinc/85/73/09/956857309.db2.gz YFABLMBWJSGUEA-CYBMUJFWSA-N -1 1 321.373 3.589 20 0 DHADMM O=C([O-])C[C@H]1CCCCN1Cc1c(Cl)cccc1Cl ZINC000038027652 957349252 /nfs/dbraw/zinc/34/92/52/957349252.db2.gz DGAPCJPISIKJOC-SNVBAGLBSA-N -1 1 302.201 3.823 20 0 DHADMM O=C([O-])C1CCN(c2ccnc3cc(C(F)(F)F)ccc32)CC1 ZINC000101032131 958358680 /nfs/dbraw/zinc/35/86/80/958358680.db2.gz RPVRKXJVHFSYCP-UHFFFAOYSA-N -1 1 324.302 3.555 20 0 DHADMM Cc1cccc([C@@H](NCc2cc(F)ccc2Cl)C(=O)[O-])c1 ZINC001594397847 958789733 /nfs/dbraw/zinc/78/97/33/958789733.db2.gz NELCLNNDDQZBMN-OAHLLOKOSA-N -1 1 307.752 3.703 20 0 DHADMM CN(Cc1ccc(F)c(Cl)c1)C(=O)c1ccc([O-])c(F)c1 ZINC000683341721 1013273729 /nfs/dbraw/zinc/27/37/29/1013273729.db2.gz XBSRHIILXHHCRC-UHFFFAOYSA-N -1 1 311.715 3.596 20 0 DHADMM CCc1nc(CNCc2c(C)cc(C)cc2C)ccc1C(=O)[O-] ZINC000426639684 1013325010 /nfs/dbraw/zinc/32/50/10/1013325010.db2.gz XODJPRHCLQXONJ-UHFFFAOYSA-N -1 1 312.413 3.557 20 0 DHADMM O=C1Nc2ccc(Cl)cc2/C1=C\c1cc(F)c([O-])c(F)c1 ZINC000299823338 1013330859 /nfs/dbraw/zinc/33/08/59/1013330859.db2.gz USZFBHLYXCBKCZ-XCVCLJGOSA-N -1 1 307.683 3.817 20 0 DHADMM CCc1ccc(-c2nc(CN(C)C[C@H](C)C(=O)[O-])cs2)cc1 ZINC000263398611 962559855 /nfs/dbraw/zinc/55/98/55/962559855.db2.gz ZREIZZRTPXIWCB-LBPRGKRZSA-N -1 1 318.442 3.525 20 0 DHADMM CCc1noc(C)c1[N-]C(=O)c1cc(-c2ccccc2F)on1 ZINC000120970480 1013422325 /nfs/dbraw/zinc/42/23/25/1013422325.db2.gz PPONTRLSQGBXIC-UHFFFAOYSA-N -1 1 315.304 3.592 20 0 DHADMM CCOc1ccc(SCC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000340332208 1013499468 /nfs/dbraw/zinc/49/94/68/1013499468.db2.gz NUOXBMGGOGUFBR-UHFFFAOYSA-N -1 1 321.373 3.661 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000340332684 1013501615 /nfs/dbraw/zinc/50/16/15/1013501615.db2.gz YPHUJDGOUQKIHA-MNOVXSKESA-N -1 1 307.271 3.552 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1C[C@H]1c1cccc(F)c1F ZINC000340332685 1013502227 /nfs/dbraw/zinc/50/22/27/1013502227.db2.gz YPHUJDGOUQKIHA-QWRGUYRKSA-N -1 1 307.271 3.552 20 0 DHADMM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1nccs1 ZINC000683546753 1013605921 /nfs/dbraw/zinc/60/59/21/1013605921.db2.gz ZCMOMRNJIOZWAG-UHFFFAOYSA-N -1 1 322.802 3.567 20 0 DHADMM CSc1ccc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)s1 ZINC000901627053 969453018 /nfs/dbraw/zinc/45/30/18/969453018.db2.gz GJKZNWVVAQILJC-CQSZACIVSA-N -1 1 319.451 3.654 20 0 DHADMM COc1cccc(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)c1 ZINC000683731246 1013922005 /nfs/dbraw/zinc/92/20/05/1013922005.db2.gz DTDALFWLFUDYCZ-UHFFFAOYSA-N -1 1 317.410 3.764 20 0 DHADMM O=C([O-])[C@H]1CN(C/C=C/c2cccc(F)c2)Cc2ccccc21 ZINC001606046476 973153063 /nfs/dbraw/zinc/15/30/63/973153063.db2.gz RCDIVDBIOOBKJG-JXTAAOLFSA-N -1 1 311.356 3.523 20 0 DHADMM Cc1nnc2ccc(Nc3cc(Cl)c([O-])c(Cl)c3)cn12 ZINC001210926255 1014089515 /nfs/dbraw/zinc/08/95/15/1014089515.db2.gz BYCNPDVZUNZZBH-UHFFFAOYSA-N -1 1 309.156 3.794 20 0 DHADMM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc([O-])c(F)c3)C2)cc1 ZINC000683891147 1014094904 /nfs/dbraw/zinc/09/49/04/1014094904.db2.gz YVXLVZIWOXCUPU-XJKSGUPXSA-N -1 1 313.372 3.858 20 0 DHADMM FC(F)(F)[C@@H](C[C@H]1CCCO1)[N-]c1nc2ccccc2o1 ZINC000656224237 1014148530 /nfs/dbraw/zinc/14/85/30/1014148530.db2.gz FDOUPNGMPGGMHS-BXKDBHETSA-N -1 1 300.280 3.740 20 0 DHADMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1nc(C(C)(C)C)cs1 ZINC000530178129 974364046 /nfs/dbraw/zinc/36/40/46/974364046.db2.gz YTCIMSBFJGUXGR-ZSBIGDGJSA-N -1 1 310.463 3.514 20 0 DHADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000563284747 974528763 /nfs/dbraw/zinc/52/87/63/974528763.db2.gz YWVLMVGFZIOEEM-CABZTGNLSA-N -1 1 319.323 3.949 20 0 DHADMM COc1cccc([C@H]2CCCN2Cc2cc(C(=O)[O-])c(C)o2)c1 ZINC000563631081 974537427 /nfs/dbraw/zinc/53/74/27/974537427.db2.gz ONQVYKIAYVZORS-QGZVFWFLSA-N -1 1 315.369 3.632 20 0 DHADMM O=C([O-])c1occc1CN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000564660534 974551405 /nfs/dbraw/zinc/55/14/05/974551405.db2.gz HORUUCPXUCGZSE-AWEZNQCLSA-N -1 1 305.761 3.968 20 0 DHADMM Cc1cc(CN2CCC[C@H]2c2ccc(F)cc2)oc1C(=O)[O-] ZINC000565105176 974570348 /nfs/dbraw/zinc/57/03/48/974570348.db2.gz XPKNRMNGEFJBGO-HNNXBMFYSA-N -1 1 303.333 3.762 20 0 DHADMM O=C([O-])c1ccc(CN2CCC(c3ccsc3)CC2)c(F)c1 ZINC000567055070 974626689 /nfs/dbraw/zinc/62/66/89/974626689.db2.gz MHNOXTVWKLGWIG-UHFFFAOYSA-N -1 1 319.401 3.965 20 0 DHADMM O=C([O-])C[C@H]1CCCN1Cc1csc(C2CCCCC2)n1 ZINC000572889553 974756215 /nfs/dbraw/zinc/75/62/15/974756215.db2.gz RPMGHNBKIZBWPX-CQSZACIVSA-N -1 1 308.447 3.630 20 0 DHADMM CN(Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)C1CCCC1 ZINC000573213096 974761805 /nfs/dbraw/zinc/76/18/05/974761805.db2.gz WMVSLOLNJDFCLU-UHFFFAOYSA-N -1 1 316.426 3.883 20 0 DHADMM CC(C)(C)c1nc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)cs1 ZINC000629375417 975089566 /nfs/dbraw/zinc/08/95/66/975089566.db2.gz ZSOFCKZYPRBXHY-MELADBBJSA-N -1 1 322.474 3.516 20 0 DHADMM O=C([O-])c1cccc(CN2CCC[C@H](OC3CCC3)C2)c1Cl ZINC000656191162 975644983 /nfs/dbraw/zinc/64/49/83/975644983.db2.gz DJZJKTBAQGSGBR-AWEZNQCLSA-N -1 1 323.820 3.572 20 0 DHADMM Cc1cc([C@H](C)N2C[C@H](C)OC3(CCCCC3)C2)oc1C(=O)[O-] ZINC000656192465 975645516 /nfs/dbraw/zinc/64/55/16/975645516.db2.gz VOMVQLMOCNEOIJ-KBPBESRZSA-N -1 1 321.417 3.771 20 0 DHADMM O=C([O-])c1ccc(CN2CCC[C@@H](OC3CCC3)C2)cc1Cl ZINC000656191400 975645781 /nfs/dbraw/zinc/64/57/81/975645781.db2.gz LMGSDQZJGTXOMB-CQSZACIVSA-N -1 1 323.820 3.572 20 0 DHADMM CC12CC(C1)CN2[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000663314830 975942759 /nfs/dbraw/zinc/94/27/59/975942759.db2.gz ANDCDTIUONCJPE-YEMQSEFVSA-N -1 1 300.185 3.603 20 0 DHADMM CC(C)c1nc([C@@H]2CCCCCN2CCC(C)(C)C(=O)[O-])no1 ZINC001592015122 976696087 /nfs/dbraw/zinc/69/60/87/976696087.db2.gz JBWAIGHOWUXLHB-ZDUSSCGKSA-N -1 1 323.437 3.611 20 0 DHADMM CO[C@H](CSc1ncc(C)c(=O)[n-]1)c1ccc(Cl)cc1 ZINC000581143590 1014590644 /nfs/dbraw/zinc/59/06/44/1014590644.db2.gz XQFXJKOGDGTZQN-GFCCVEGCSA-N -1 1 310.806 3.624 20 0 DHADMM O=C([O-])CC[C@@H]1CCCN(Cc2ccsc2C(F)(F)F)C1 ZINC000901551930 980377405 /nfs/dbraw/zinc/37/74/05/980377405.db2.gz KITRKCQDIDVBBE-JTQLQIEISA-N -1 1 321.364 3.844 20 0 DHADMM CC[C@@](NCC=C(Cl)Cl)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595291855 980395390 /nfs/dbraw/zinc/39/53/90/980395390.db2.gz PQKVYWNYKFZHKM-ZDUSSCGKSA-N -1 1 322.619 3.939 20 0 DHADMM CC(C)O[C@H](CN[C@H](C(=O)[O-])c1cccs1)c1ccccc1 ZINC000901597021 980399550 /nfs/dbraw/zinc/39/95/50/980399550.db2.gz DKOOVXZNLUHAGF-ZBFHGGJFSA-N -1 1 319.426 3.630 20 0 DHADMM CSc1ccc(CN[C@@H](CCC(=O)[O-])c2ccccc2)o1 ZINC000901648605 980426913 /nfs/dbraw/zinc/42/69/13/980426913.db2.gz RUTBILZJBNTQOL-AWEZNQCLSA-N -1 1 305.399 3.697 20 0 DHADMM Cc1ccc([C@H](NCc2ccc(/C=C/C(=O)[O-])o2)C2CC2)cc1 ZINC000902088647 980727714 /nfs/dbraw/zinc/72/77/14/980727714.db2.gz URYXFEPOTIDFKB-VYENPZKTSA-N -1 1 311.381 3.927 20 0 DHADMM CC(C)(C)OCc1cccc(CNCc2cc(C(=O)[O-])co2)c1 ZINC000902214040 980785439 /nfs/dbraw/zinc/78/54/39/980785439.db2.gz TUVGMHKZEVWYEN-UHFFFAOYSA-N -1 1 317.385 3.583 20 0 DHADMM Cc1cc(C(F)(F)F)ccc1CNCc1ccoc1C(=O)[O-] ZINC000902342851 980842005 /nfs/dbraw/zinc/84/20/05/980842005.db2.gz WDHGDKDCTPKIGW-UHFFFAOYSA-N -1 1 313.275 3.595 20 0 DHADMM O=C([O-])/C=C/c1ccc(CN[C@@H]2CCCc3ccc(F)cc32)o1 ZINC000902445057 980891253 /nfs/dbraw/zinc/89/12/53/980891253.db2.gz MRUKUCDYRDQGJI-KBOKABMXSA-N -1 1 315.344 3.684 20 0 DHADMM CCc1oc(CN(C)[C@@H](C)c2ccc(OC)cc2)cc1C(=O)[O-] ZINC000902508956 980914557 /nfs/dbraw/zinc/91/45/57/980914557.db2.gz DUYDRIOVGZAQHX-LBPRGKRZSA-N -1 1 317.385 3.742 20 0 DHADMM O=C([O-])[C@H](c1cccc(Cl)c1Cl)N1CCC[C@H](CF)C1 ZINC000903607913 980988238 /nfs/dbraw/zinc/98/82/38/980988238.db2.gz OZBBNQSNPRZEOX-RNCFNFMXSA-N -1 1 320.191 3.801 20 0 DHADMM Cc1cccc(C2=CCN(Cc3occc3C(=O)[O-])CC2)c1C ZINC000903962625 981078693 /nfs/dbraw/zinc/07/86/93/981078693.db2.gz QRRVHNIILYEEEL-UHFFFAOYSA-N -1 1 311.381 3.884 20 0 DHADMM Cc1cc2[n-]c(-c3ccc(OC(C)C)cc3)nc(=O)c2s1 ZINC000656492182 1014725533 /nfs/dbraw/zinc/72/55/33/1014725533.db2.gz YMDXLWJDTDXHDR-UHFFFAOYSA-N -1 1 300.383 3.747 20 0 DHADMM CCC[C@@H]1CCCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000443053925 1014801851 /nfs/dbraw/zinc/80/18/51/1014801851.db2.gz CAXDEAVMKXGYDQ-LLVKDONJSA-N -1 1 311.809 3.707 20 0 DHADMM CC1(C)C[C@@H](C(=O)Nc2c([O-])cccc2F)c2ccccc2O1 ZINC000665304336 1014809042 /nfs/dbraw/zinc/80/90/42/1014809042.db2.gz NVUMSAZCGLXMDL-GFCCVEGCSA-N -1 1 315.344 3.815 20 0 DHADMM COc1cc(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)cc(Cl)c1[O-] ZINC000443122620 1014820495 /nfs/dbraw/zinc/82/04/95/1014820495.db2.gz ZZSQMYAETNTENS-JKOKRWQUSA-N -1 1 323.820 3.705 20 0 DHADMM COc1cc(C(=O)N2CC[C@@H](C)C(C)(C)C2)cc(Cl)c1[O-] ZINC000443128264 1014822542 /nfs/dbraw/zinc/82/25/42/1014822542.db2.gz LCADNRAAJOVLGT-SNVBAGLBSA-N -1 1 311.809 3.562 20 0 DHADMM COc1cc(C(=O)N2CCCC(C)(C)CC2)cc(Cl)c1[O-] ZINC000443283279 1014862524 /nfs/dbraw/zinc/86/25/24/1014862524.db2.gz JYIFPKWUENJKEJ-UHFFFAOYSA-N -1 1 311.809 3.707 20 0 DHADMM CCc1cccc2cc(CN[C@@H](CC3CCC3)C(=O)[O-])oc21 ZINC000656567251 1014865833 /nfs/dbraw/zinc/86/58/33/1014865833.db2.gz IVXFQOWNHZJJAD-INIZCTEOSA-N -1 1 301.386 3.728 20 0 DHADMM C[C@H](CN(C)Cc1nc2c(s1)C(C)(C)CC(C)(C)C2)C(=O)[O-] ZINC000923249403 982852817 /nfs/dbraw/zinc/85/28/17/982852817.db2.gz WFJYCSZCLBREKQ-LLVKDONJSA-N -1 1 324.490 3.546 20 0 DHADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(SC)cc2)c1 ZINC000443405191 1014903559 /nfs/dbraw/zinc/90/35/59/1014903559.db2.gz IVQYTTKSCCESSH-UHFFFAOYSA-N -1 1 323.439 3.608 20 0 DHADMM Cc1nc(SCc2ccc3c[nH]nc3c2)[n-]c(=O)c1C1CC1 ZINC000631022846 1014908145 /nfs/dbraw/zinc/90/81/45/1014908145.db2.gz AULXIYFDHRSYHI-UHFFFAOYSA-N -1 1 312.398 3.537 20 0 DHADMM Cc1nc(SCc2c(F)cccc2F)[n-]c(=O)c1C1CC1 ZINC000631023174 1014911552 /nfs/dbraw/zinc/91/15/52/1014911552.db2.gz KHISKKRDTULNBP-UHFFFAOYSA-N -1 1 308.353 3.939 20 0 DHADMM Cc1nc(SCCCOc2ccccc2)[n-]c(=O)c1C1CC1 ZINC000631023862 1014915451 /nfs/dbraw/zinc/91/54/51/1014915451.db2.gz GMXBZUXCAMTMRX-UHFFFAOYSA-N -1 1 316.426 3.929 20 0 DHADMM CCOc1cc(C(=O)N(C)C2CCCCC2)cc(Cl)c1[O-] ZINC000193257243 1014936397 /nfs/dbraw/zinc/93/63/97/1014936397.db2.gz FXMLUSVAVDAFPV-UHFFFAOYSA-N -1 1 311.809 3.849 20 0 DHADMM CCCc1nc(C)cc(OCc2ncoc2C(C)C)c1C(=O)[O-] ZINC001596090085 983414953 /nfs/dbraw/zinc/41/49/53/983414953.db2.gz SRTPIRCWVIYQHO-UHFFFAOYSA-N -1 1 318.373 3.731 20 0 DHADMM CCN(Cc1oncc1C(=O)[O-])Cc1ccc2ccccc2c1 ZINC001596364667 983851681 /nfs/dbraw/zinc/85/16/81/983851681.db2.gz VWVJBXJEEVMJOT-UHFFFAOYSA-N -1 1 310.353 3.548 20 0 DHADMM CC(C)(C)CN(CC(=O)[O-])Cc1csc(Cl)c1Cl ZINC000665351135 1015002359 /nfs/dbraw/zinc/00/23/59/1015002359.db2.gz RTBIRVDQCCXIRB-UHFFFAOYSA-N -1 1 310.246 3.988 20 0 DHADMM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2c([O-])cccc2F)o1 ZINC000605440118 1015042991 /nfs/dbraw/zinc/04/29/91/1015042991.db2.gz KPLDOCHKINNGRZ-PWSUYJOCSA-N -1 1 303.333 3.819 20 0 DHADMM CCc1nc(SCc2nc3cc(F)ccc3o2)[n-]c(=O)c1C ZINC000581618776 1015056508 /nfs/dbraw/zinc/05/65/08/1015056508.db2.gz OEOHTNHGWIOGLJ-UHFFFAOYSA-N -1 1 319.361 3.626 20 0 DHADMM O=C(c1ccc(Br)c([O-])c1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000133365761 1017147231 /nfs/dbraw/zinc/14/72/31/1017147231.db2.gz NWNLWMULYQPVSG-GWCFXTLKSA-N -1 1 324.218 3.559 20 0 DHADMM O=C([O-])[C@H](c1c(F)cccc1Cl)[N@H+]1CCC[C@H](CCF)C1 ZINC000656764303 1015134060 /nfs/dbraw/zinc/13/40/60/1015134060.db2.gz XBVUMQYOSNBSBS-YGRLFVJLSA-N -1 1 317.763 3.676 20 0 DHADMM Cc1nc(-c2ccc(NC[C@]34C[C@H]3CCCC4)nc2)[n-]c(=O)c1C ZINC000895428225 1015143750 /nfs/dbraw/zinc/14/37/50/1015143750.db2.gz STVHWRYXWXOITB-BEFAXECRSA-N -1 1 324.428 3.853 20 0 DHADMM Cc1[nH]c(CN(Cc2ccccc2F)CC2CC2)cc1C(=O)[O-] ZINC001599963413 985844318 /nfs/dbraw/zinc/84/43/18/985844318.db2.gz ZOYYDGWCZZTMKG-UHFFFAOYSA-N -1 1 316.376 3.573 20 0 DHADMM Cc1nc(SCc2cc(C(=O)[O-])co2)[nH]c1-c1ccccc1 ZINC001599965904 985904309 /nfs/dbraw/zinc/90/43/09/985904309.db2.gz MBHKBHOSAUIZLO-UHFFFAOYSA-N -1 1 314.366 3.969 20 0 DHADMM O=C1N[C@@H](c2cccc(Cl)c2[O-])Nc2ccc(Cl)cc21 ZINC000121423767 1015188096 /nfs/dbraw/zinc/18/80/96/1015188096.db2.gz IOCYXGCGNJGREG-ZDUSSCGKSA-N -1 1 309.152 3.553 20 0 DHADMM C[C@H]1CN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)[C@H]1c1ccccc1 ZINC001594533152 986136345 /nfs/dbraw/zinc/13/63/45/986136345.db2.gz AUSCIAUHGRANGO-KPZWWZAWSA-N -1 1 310.397 3.783 20 0 DHADMM CCOc1ccc(C[N@@H+](C)Cc2cc(C(=O)[O-])c(C)o2)c(C)c1 ZINC001597100492 986705731 /nfs/dbraw/zinc/70/57/31/986705731.db2.gz MZOWGKXFUMFTIZ-UHFFFAOYSA-N -1 1 317.385 3.625 20 0 DHADMM CCOc1ccc(CN(C)Cc2cc(C(=O)[O-])c(C)o2)c(C)c1 ZINC001597100492 986705742 /nfs/dbraw/zinc/70/57/42/986705742.db2.gz MZOWGKXFUMFTIZ-UHFFFAOYSA-N -1 1 317.385 3.625 20 0 DHADMM CCOc1ccc(CN[C@H](C(=O)[O-])c2ccccc2Cl)cc1 ZINC001597100920 986709886 /nfs/dbraw/zinc/70/98/86/986709886.db2.gz KZYOBGAVUMXVFH-INIZCTEOSA-N -1 1 319.788 3.654 20 0 DHADMM Cc1ccsc1S(=O)(=O)[N-]c1cc(C)ccc1Cl ZINC000474317249 1015262066 /nfs/dbraw/zinc/26/20/66/1015262066.db2.gz WRSJNPJZYAKHCE-UHFFFAOYSA-N -1 1 301.820 3.819 20 0 DHADMM CCS[C@H]1CCCCN([C@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001597258919 987274849 /nfs/dbraw/zinc/27/48/49/987274849.db2.gz ZFKNMGZOAYOIGR-MNOVXSKESA-N -1 1 314.476 3.510 20 0 DHADMM CCc1ccc(-c2n[nH]c(S[C@@H](C(=O)[O-])[C@@H](C)CC)n2)cc1 ZINC001597492030 988023391 /nfs/dbraw/zinc/02/33/91/988023391.db2.gz OFGHTVFVMSVKHH-GXFFZTMASA-N -1 1 319.430 3.626 20 0 DHADMM CSCc1ccc(CN(C)Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC001599802481 988199967 /nfs/dbraw/zinc/19/99/67/988199967.db2.gz LXPVATLUAGATMI-UHFFFAOYSA-N -1 1 319.426 3.781 20 0 DHADMM CCc1cccc(Cl)c1CNCc1cc(C(=O)[O-])c(C)n1C ZINC001597592471 988420088 /nfs/dbraw/zinc/42/00/88/988420088.db2.gz GNTRWKCTBNPGKF-UHFFFAOYSA-N -1 1 320.820 3.537 20 0 DHADMM C[C@@H](NCc1ccc(C(=O)[O-])[nH]1)c1ccc(Cl)cc1Cl ZINC001599841378 988839796 /nfs/dbraw/zinc/83/97/96/988839796.db2.gz CTQUDEWKVIKFDY-MRVPVSSYSA-N -1 1 313.184 3.871 20 0 DHADMM CCc1oc(CN(C)Cc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC001597792601 989332650 /nfs/dbraw/zinc/33/26/50/989332650.db2.gz AQBRAPATVYHPQP-UHFFFAOYSA-N -1 1 307.777 3.826 20 0 DHADMM CCOc1cc(-c2noc([C@@H]3C[C@@H](C)CO3)n2)cc(Cl)c1[O-] ZINC000896205572 1015501512 /nfs/dbraw/zinc/50/15/12/1015501512.db2.gz SEUYUGRVQLNIBW-PELKAZGASA-N -1 1 324.764 3.592 20 0 DHADMM CCCN(CC(F)(F)F)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000896310337 1015546131 /nfs/dbraw/zinc/54/61/31/1015546131.db2.gz AIYNQYODLVJPKO-UHFFFAOYSA-N -1 1 324.730 3.530 20 0 DHADMM CN(C)Cc1ccc(NCc2cc(C(=O)[O-])cs2)cc1Cl ZINC001598252930 991036264 /nfs/dbraw/zinc/03/62/64/991036264.db2.gz QGPCGZIFEVHSQO-UHFFFAOYSA-N -1 1 324.833 3.773 20 0 DHADMM Cc1cc2sc(NC(=O)c3ccc([O-])c(F)c3)nc2cc1F ZINC000684515218 1015626991 /nfs/dbraw/zinc/62/69/91/1015626991.db2.gz RXJCEPYGBBHZOF-UHFFFAOYSA-N -1 1 320.320 3.841 20 0 DHADMM CC(C)[C@@H]1N([C@@H](C)c2ncc(C(=O)[O-])s2)CC12CC=CC2 ZINC001591099727 991714437 /nfs/dbraw/zinc/71/44/37/991714437.db2.gz NYGSKBLXQAMFBQ-AAEUAGOBSA-N -1 1 306.431 3.579 20 0 DHADMM COc1cc(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)cc(Cl)c1[O-] ZINC000153890617 1015694190 /nfs/dbraw/zinc/69/41/90/1015694190.db2.gz RQIJYZUREQEIDE-OCCSQVGLSA-N -1 1 323.820 3.753 20 0 DHADMM CN(Cc1ccc(C(=O)[O-])o1)Cc1csc2ccccc12 ZINC001598516606 992623063 /nfs/dbraw/zinc/62/30/63/992623063.db2.gz LXLNLCOXOFGJJE-UHFFFAOYSA-N -1 1 301.367 3.825 20 0 DHADMM CN(Cc1cnc(C(C)(C)C)s1)C1(C(=O)[O-])CCCCC1 ZINC001598533178 992811579 /nfs/dbraw/zinc/81/15/79/992811579.db2.gz MSRSQRKXMCNGRO-UHFFFAOYSA-N -1 1 310.463 3.660 20 0 DHADMM O=c1[n-]c(-c2ccc3c(c2)CCCCC3=O)nc2cccc(F)c12 ZINC000684558140 1015736819 /nfs/dbraw/zinc/73/68/19/1015736819.db2.gz BONAWXVHPHXNEN-UHFFFAOYSA-N -1 1 322.339 3.638 20 0 DHADMM CN(Cc1csc(C(=O)[O-])c1)Cc1cc2ccccc2[nH]1 ZINC001598535906 992839575 /nfs/dbraw/zinc/83/95/75/992839575.db2.gz FRKNMPUDGKKCBS-UHFFFAOYSA-N -1 1 300.383 3.560 20 0 DHADMM CN(Cc1ncc(C(=O)[O-])s1)C1CCC(C(C)(C)C)CC1 ZINC001598538459 992869562 /nfs/dbraw/zinc/86/95/62/992869562.db2.gz RIHMMRWMWSDHMY-UHFFFAOYSA-N -1 1 310.463 3.878 20 0 DHADMM CSc1ccc([O-])c(-c2nc([C@@H]3CC3(Cl)Cl)no2)c1 ZINC000896817144 1015759103 /nfs/dbraw/zinc/75/91/03/1015759103.db2.gz SCCZTOAMCRVQAS-QMMMGPOBSA-N -1 1 317.197 3.825 20 0 DHADMM C[C@@H](N[C@@H](CCC(=O)[O-])c1ccccc1)c1cccc(O)c1F ZINC001593205191 994211021 /nfs/dbraw/zinc/21/10/21/994211021.db2.gz YQMGMGZYYKTGCO-DOMZBBRYSA-N -1 1 317.360 3.788 20 0 DHADMM C[C@@H](NCc1cc(C(=O)[O-])co1)c1ccc(-c2ccncc2)cc1 ZINC001593288816 994659443 /nfs/dbraw/zinc/65/94/43/994659443.db2.gz NSKULACPYPBPRO-CYBMUJFWSA-N -1 1 322.364 3.891 20 0 DHADMM C[C@H](NCc1ccccc1C(F)(F)F)c1cc(C(=O)[O-])co1 ZINC001593302899 994730950 /nfs/dbraw/zinc/73/09/50/994730950.db2.gz BEWIQVORDXCTLO-VIFPVBQESA-N -1 1 313.275 3.847 20 0 DHADMM C[C@H](NCc1occc1C(=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC001593317904 994825156 /nfs/dbraw/zinc/82/51/56/994825156.db2.gz WZYGPKAKFLXVDA-ZDUSSCGKSA-N -1 1 322.364 3.891 20 0 DHADMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C1CC1 ZINC000657176148 1015945831 /nfs/dbraw/zinc/94/58/31/1015945831.db2.gz KHJSKYVAPZCKIR-SSDOTTSWSA-N -1 1 314.259 3.522 20 0 DHADMM C[C@H](c1ccco1)N(C)Cc1ccnc2c(C(=O)[O-])cccc12 ZINC001593718923 996240886 /nfs/dbraw/zinc/24/08/86/996240886.db2.gz GVKPSDHBQVGBJK-GFCCVEGCSA-N -1 1 310.353 3.719 20 0 DHADMM CCc1cc(=O)[n-]c(SC[C@@H](C)c2ccc(OC)cc2)n1 ZINC000657257611 1016120920 /nfs/dbraw/zinc/12/09/20/1016120920.db2.gz WGXOZWNUSSQUPJ-LLVKDONJSA-N -1 1 304.415 3.649 20 0 DHADMM COc1ccc([C@@H](NCc2c(C)cccc2Cl)C(=O)[O-])cc1 ZINC001599527724 997590470 /nfs/dbraw/zinc/59/04/70/997590470.db2.gz PQTAQSORWNCICW-MRXNPFEDSA-N -1 1 319.788 3.573 20 0 DHADMM CC1=C(C)CN(Cc2ccc(C(=O)[O-])cc2C(F)(F)F)CC1 ZINC001594109872 998198938 /nfs/dbraw/zinc/19/89/38/998198938.db2.gz LELYCYJULCHEPX-UHFFFAOYSA-N -1 1 313.319 3.946 20 0 DHADMM C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccsc1C(=O)[O-] ZINC001594174224 998668807 /nfs/dbraw/zinc/66/88/07/998668807.db2.gz RETWNQMSUYWFNL-PSASIEDQSA-N -1 1 307.337 3.609 20 0 DHADMM C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1cccc(C(=O)[O-])c1Cl ZINC001594177426 998689044 /nfs/dbraw/zinc/68/90/44/998689044.db2.gz XLMZMUTWVOHJLT-LDYMZIIASA-N -1 1 321.726 3.811 20 0 DHADMM C[C@H]1C[C@@H](c2ccccc2F)N(Cc2cccc(C(=O)[O-])n2)C1 ZINC001594269588 999041845 /nfs/dbraw/zinc/04/18/45/999041845.db2.gz KRVOOMVIPKSMCA-SJCJKPOMSA-N -1 1 314.360 3.502 20 0 DHADMM C[C@@H]1C[C@@H]1c1ccc(CNCc2ccc(C(=O)[O-])c(F)c2)o1 ZINC001594280162 999087261 /nfs/dbraw/zinc/08/72/61/999087261.db2.gz RYJPGWYHFYCISU-YGRLFVJLSA-N -1 1 303.333 3.530 20 0 DHADMM O=C(N[C@@H](C1CCCCC1)C(F)(F)F)c1c([O-])cccc1F ZINC000622421930 1016402218 /nfs/dbraw/zinc/40/22/18/1016402218.db2.gz PEWMYLXJGVOXKC-ZDUSSCGKSA-N -1 1 319.298 3.772 20 0 DHADMM CC(C)C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000684875702 1016764264 /nfs/dbraw/zinc/76/42/64/1016764264.db2.gz JRXLFMIVNHUOFS-NSHDSACASA-N -1 1 315.335 3.919 20 0 DHADMM Cc1nc(C)c(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)s1 ZINC000684876129 1016768593 /nfs/dbraw/zinc/76/85/93/1016768593.db2.gz ULXBYCGCMOHFRS-UHFFFAOYSA-N -1 1 316.304 3.737 20 0 DHADMM O=C([O-])C[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1Cl ZINC000086775341 1016886361 /nfs/dbraw/zinc/88/63/61/1016886361.db2.gz YDMNBWHAORPIHR-LLVKDONJSA-N -1 1 302.201 3.823 20 0 DHADMM O=C([O-])C[C@H]1CCCCN1Cc1cccc(Cl)c1Cl ZINC000086775341 1016886370 /nfs/dbraw/zinc/88/63/70/1016886370.db2.gz YDMNBWHAORPIHR-LLVKDONJSA-N -1 1 302.201 3.823 20 0 DHADMM C[C@H]1SCCN(C(=O)c2cc3ccccc3cc2[O-])[C@@H]1C ZINC000118287782 1032241307 /nfs/dbraw/zinc/24/13/07/1032241307.db2.gz JJJMWAUMXJCHTO-VXGBXAGGSA-N -1 1 301.411 3.511 20 0 DHADMM CC[C@H]1COC(C)(C)CN1C(=O)c1cc2ccccc2cc1[O-] ZINC000403834109 1017078391 /nfs/dbraw/zinc/07/83/91/1017078391.db2.gz QRAOOUPDQKQZGE-HNNXBMFYSA-N -1 1 313.397 3.575 20 0 DHADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@H](CC2CC2)c2ccccc2)c1 ZINC001147040265 1032268260 /nfs/dbraw/zinc/26/82/60/1032268260.db2.gz SZSKPPJGYPVJDG-GOSISDBHSA-N -1 1 323.392 3.784 20 0 DHADMM Cc1ccccc1C[C@H]1CCCN1C(=O)c1ccc([O-])cc1F ZINC001147074683 1032276008 /nfs/dbraw/zinc/27/60/08/1032276008.db2.gz XILBLEHPUSLUHR-OAHLLOKOSA-N -1 1 313.372 3.687 20 0 DHADMM O=C(N[C@H](CCc1ccccc1)C(F)F)c1ccc([O-])cc1F ZINC001147485085 1032317873 /nfs/dbraw/zinc/31/78/73/1032317873.db2.gz FIWUHGMOOQLSQM-OAHLLOKOSA-N -1 1 323.314 3.528 20 0 DHADMM CC(C)c1cc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])no1 ZINC001147486287 1032319071 /nfs/dbraw/zinc/31/90/71/1032319071.db2.gz ARIBFYQKESBDKC-UHFFFAOYSA-N -1 1 314.263 3.775 20 0 DHADMM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2ccc([O-])cn2)cc1 ZINC001147796588 1032343161 /nfs/dbraw/zinc/34/31/61/1032343161.db2.gz UHGUUXMPWJMYEY-KBXCAEBGSA-N -1 1 310.397 3.709 20 0 DHADMM O=S(=O)([N-]c1ccc(F)cc1F)c1cc(Cl)ccc1F ZINC000074936819 1032383151 /nfs/dbraw/zinc/38/31/51/1032383151.db2.gz FIFOMAZVABUWCD-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM Cc1cc(NC(=O)c2cccc(-c3ccccc3)c2[O-])cc(=O)o1 ZINC001148866799 1032448942 /nfs/dbraw/zinc/44/89/42/1032448942.db2.gz FVHXVUVZDMLBPW-UHFFFAOYSA-N -1 1 321.332 3.573 20 0 DHADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C)cc2Cl)c1 ZINC000121650077 1032461146 /nfs/dbraw/zinc/46/11/46/1032461146.db2.gz BRPMOCCPEPHRMN-UHFFFAOYSA-N -1 1 318.760 3.565 20 0 DHADMM Cc1cccc(-c2nc3cc(C(F)(F)F)ccc3c(=O)[n-]2)n1 ZINC000340099414 1017090349 /nfs/dbraw/zinc/09/03/49/1017090349.db2.gz PTTVCVVZCBUITO-UHFFFAOYSA-N -1 1 305.259 3.725 20 0 DHADMM COc1ccccc1[C@@H]1CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000094102411 1032568627 /nfs/dbraw/zinc/56/86/27/1032568627.db2.gz BKYRSUQXAKJNNH-HNNXBMFYSA-N -1 1 315.344 3.517 20 0 DHADMM C[C@@H]1CCCN(Cc2cnc(-c3ccsc3)s2)[C@@H]1C(=O)[O-] ZINC000424417355 1012019818 /nfs/dbraw/zinc/01/98/18/1012019818.db2.gz LRAOARUSIWLUAE-MFKMUULPSA-N -1 1 322.455 3.557 20 0 DHADMM O=C(Nc1cccc2cnncc21)c1cc2ccccc2cc1[O-] ZINC000683128525 1012052704 /nfs/dbraw/zinc/05/27/04/1012052704.db2.gz KPVLRBCEEFCNCT-UHFFFAOYSA-N -1 1 315.332 3.741 20 0 DHADMM CCOc1cc(C(=O)N2CC[C@@H](C)C[C@H]2C)cc(Cl)c1[O-] ZINC000425058903 1012201957 /nfs/dbraw/zinc/20/19/57/1012201957.db2.gz ZCTKTSCNESCVEP-GHMZBOCLSA-N -1 1 311.809 3.705 20 0 DHADMM O=C([O-])CCOc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000513854881 1012205989 /nfs/dbraw/zinc/20/59/89/1012205989.db2.gz WRHIWKGUECQHEQ-UHFFFAOYSA-N -1 1 316.744 3.737 20 0 DHADMM COc1ccc([C@H](CC(=O)[O-])NCc2ccccc2Cl)cc1 ZINC000683170983 1012228415 /nfs/dbraw/zinc/22/84/15/1012228415.db2.gz CXZYBQMAKHSOLY-INIZCTEOSA-N -1 1 319.788 3.654 20 0 DHADMM O=C(Nc1c([O-])cccc1F)[C@H]1SCCc2sccc21 ZINC000092551575 1012318353 /nfs/dbraw/zinc/31/83/53/1012318353.db2.gz SYVXNYARZMOYDH-ZDUSSCGKSA-N -1 1 309.387 3.562 20 0 DHADMM Cc1nc(-c2ccc(N3CCCC4(CC4)CC3)nc2)[n-]c(=O)c1C ZINC000624720336 1012552528 /nfs/dbraw/zinc/55/25/28/1012552528.db2.gz PKWCOSGWFMWUIZ-UHFFFAOYSA-N -1 1 324.428 3.632 20 0 DHADMM CCc1nc(C(C)C)ccc1CSc1ncc(C)c(=O)[n-]1 ZINC000579854119 1012592485 /nfs/dbraw/zinc/59/24/85/1012592485.db2.gz OAIZNADIOUHSLP-UHFFFAOYSA-N -1 1 303.431 3.864 20 0 DHADMM C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1c([O-])cccc1F ZINC000683248305 1012676773 /nfs/dbraw/zinc/67/67/73/1012676773.db2.gz BXHGWRCJKUEMDA-VIFPVBQESA-N -1 1 309.724 3.591 20 0 DHADMM CC(C)(C)Nc1ccccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000683251824 1012729544 /nfs/dbraw/zinc/72/95/44/1012729544.db2.gz ZOWSMGUCQKKANB-UHFFFAOYSA-N -1 1 302.349 3.994 20 0 DHADMM O=C(c1cc(Br)ccc1[O-])N1CC[C@@H]2CCCC[C@@H]21 ZINC000136774377 1012772463 /nfs/dbraw/zinc/77/24/63/1012772463.db2.gz PGIGUYWGMMKOSP-GWCFXTLKSA-N -1 1 324.218 3.559 20 0 DHADMM C[C@H]1CCCC[C@H]1CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000516840606 1012844016 /nfs/dbraw/zinc/84/40/16/1012844016.db2.gz CSUBWOZFVYQBTO-JSGCOSHPSA-N -1 1 313.401 3.937 20 0 DHADMM COc1cccc([O-])c1C(=O)Nc1cccc(COC(C)C)c1 ZINC001626645511 1012845519 /nfs/dbraw/zinc/84/55/19/1012845519.db2.gz MGTVEOGFAGPZQZ-UHFFFAOYSA-N -1 1 315.369 3.578 20 0 DHADMM CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1nc2cc(C(=O)[O-])ccc2n1CC ZINC000516873012 1012851255 /nfs/dbraw/zinc/85/12/55/1012851255.db2.gz YJLXMLMKZOUOAY-TZMCWYRMSA-N -1 1 315.417 3.517 20 0 DHADMM O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1cncc([O-])c1 ZINC000339878579 1012987726 /nfs/dbraw/zinc/98/77/26/1012987726.db2.gz LIVOCUKHDSWUDE-LJQANCHMSA-N -1 1 318.376 3.501 20 0 DHADMM Cc1cnc(C(=O)N2C[C@H](C)CC[C@@H]2c2ccccc2)c([O-])c1 ZINC000342762008 1017183272 /nfs/dbraw/zinc/18/32/72/1017183272.db2.gz WLBMJQPZGSAJLF-CZUORRHYSA-N -1 1 310.397 3.709 20 0 DHADMM CC[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])[C@H](CC)CO1 ZINC000403943894 1017221428 /nfs/dbraw/zinc/22/14/28/1017221428.db2.gz WQWULBZWOSDQCH-HZPDHXFCSA-N -1 1 313.397 3.575 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cnc(C4CC4)s3)n2)c(F)c1 ZINC000350811071 1017336148 /nfs/dbraw/zinc/33/61/48/1017336148.db2.gz HFSOHANJJUPIIS-UHFFFAOYSA-N -1 1 303.318 3.582 20 0 DHADMM C[C@@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccs1 ZINC000523426527 1017687502 /nfs/dbraw/zinc/68/75/02/1017687502.db2.gz PNPRHALQXZKXIE-SNVBAGLBSA-N -1 1 313.382 3.586 20 0 DHADMM COc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2C)cc(Cl)c1[O-] ZINC000153545533 1017792421 /nfs/dbraw/zinc/79/24/21/1017792421.db2.gz SPZSMJFGFXUUOW-MFKMUULPSA-N -1 1 311.809 3.705 20 0 DHADMM [O-]c1ccc(-c2noc(-c3ccncc3Cl)n2)c(Cl)c1 ZINC000445448924 1017855789 /nfs/dbraw/zinc/85/57/89/1017855789.db2.gz XCNZYJWEUGEXKO-UHFFFAOYSA-N -1 1 308.124 3.811 20 0 DHADMM [O-]c1ccc(-c2noc(CCCC(F)(F)F)n2)c(Cl)c1 ZINC000445446021 1017864185 /nfs/dbraw/zinc/86/41/85/1017864185.db2.gz NPSIESVWYJVUTA-UHFFFAOYSA-N -1 1 306.671 3.981 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3ccc(F)cc3F)n2)c(Cl)c1 ZINC000445445285 1017866194 /nfs/dbraw/zinc/86/61/94/1017866194.db2.gz IWPRAMLQLNEOKY-UHFFFAOYSA-N -1 1 322.698 3.965 20 0 DHADMM Cc1ccncc1/C=C/c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445447143 1017866582 /nfs/dbraw/zinc/86/65/82/1017866582.db2.gz GTZDNLXZXAYRND-GORDUTHDSA-N -1 1 313.744 3.969 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3ccc4c(c3)CCC4)n2)cc1F ZINC000445479390 1017876555 /nfs/dbraw/zinc/87/65/55/1017876555.db2.gz HGHRVUJOURXWEU-UHFFFAOYSA-N -1 1 310.328 3.661 20 0 DHADMM CC(=O)c1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c(F)c1 ZINC000445480652 1017877473 /nfs/dbraw/zinc/87/74/73/1017877473.db2.gz MJDCYYMKILXANF-UHFFFAOYSA-N -1 1 316.263 3.590 20 0 DHADMM [O-]c1ccc(Oc2ccccc2)cc1-c1nc(-c2cocn2)no1 ZINC000445563700 1017908698 /nfs/dbraw/zinc/90/86/98/1017908698.db2.gz MBAKCKVLFOMCGC-UHFFFAOYSA-N -1 1 321.292 3.890 20 0 DHADMM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ncccc2[O-])o1 ZINC000153922921 1018083095 /nfs/dbraw/zinc/08/30/95/1018083095.db2.gz QXCAEAYJWRHQLL-JSGCOSHPSA-N -1 1 314.385 3.556 20 0 DHADMM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1ncccc1[O-] ZINC000154025848 1018096356 /nfs/dbraw/zinc/09/63/56/1018096356.db2.gz OIRQRNIGKSQSQZ-LLVKDONJSA-N -1 1 319.430 3.509 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1cc(F)cc(C(F)(F)F)c1 ZINC000674850845 1018160763 /nfs/dbraw/zinc/16/07/63/1018160763.db2.gz MIYJRVINCHVNRO-UHFFFAOYSA-N -1 1 317.213 3.942 20 0 DHADMM CC(C)O[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000404537745 1018175148 /nfs/dbraw/zinc/17/51/48/1018175148.db2.gz QBCNVHPGDVVQEU-MRXNPFEDSA-N -1 1 313.397 3.575 20 0 DHADMM CC(C)C[C@@H](C)OCCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000278136770 1018195590 /nfs/dbraw/zinc/19/55/90/1018195590.db2.gz KTKNWHSUCZQLRH-LLVKDONJSA-N -1 1 308.353 3.575 20 0 DHADMM Cc1nc(-c2ccc(N(C)[C@@H](C)C(C)(C)C)nc2)[n-]c(=O)c1C ZINC000525699178 1018354915 /nfs/dbraw/zinc/35/49/15/1018354915.db2.gz BLWVMULSHDTBII-ZDUSSCGKSA-N -1 1 314.433 3.732 20 0 DHADMM C[C@@H](CC(=O)Nc1c([O-])cccc1F)C(=O)c1cccc(F)c1 ZINC000074824862 1018360635 /nfs/dbraw/zinc/36/06/35/1018360635.db2.gz WPHNTOSVNHUBRY-JTQLQIEISA-N -1 1 319.307 3.518 20 0 DHADMM C[C@@H]1CC(=O)CC[C@@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278229964 1018405774 /nfs/dbraw/zinc/40/57/74/1018405774.db2.gz RPHBPMIRFXBWEW-KCJUWKMLSA-N -1 1 306.749 3.568 20 0 DHADMM O=C1[N-]C(=O)C(=Cc2ccc(Cl)c(C(F)(F)F)c2)S1 ZINC000874927576 1032763336 /nfs/dbraw/zinc/76/33/36/1032763336.db2.gz JWDYUGKSVLUMEM-XBXARRHUSA-N -1 1 307.680 3.683 20 0 DHADMM CCc1nc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)cs1 ZINC000127018911 1018454193 /nfs/dbraw/zinc/45/41/93/1018454193.db2.gz FRSLJHHVEXHFAC-UHFFFAOYSA-N -1 1 321.349 3.512 20 0 DHADMM C[C@@H]1CC[C@@H](CCc2nc(-c3ccc([O-])cc3Cl)no2)O1 ZINC000278267753 1018484915 /nfs/dbraw/zinc/48/49/15/1018484915.db2.gz VJALIYCNEHSPMB-KOLCDFICSA-N -1 1 308.765 3.596 20 0 DHADMM Cc1nc(Br)ccc1Nc1cc([O-])c(F)c(F)c1 ZINC001212565734 1018502632 /nfs/dbraw/zinc/50/26/32/1018502632.db2.gz JALWMIZUQJSVHR-UHFFFAOYSA-N -1 1 315.117 3.880 20 0 DHADMM Cc1cccc([C@H]([N-]c2nnc(C3CC3)o2)c2ccccn2)c1 ZINC000278288044 1018519330 /nfs/dbraw/zinc/51/93/30/1018519330.db2.gz FYFXQCGETUIVIA-INIZCTEOSA-N -1 1 306.369 3.852 20 0 DHADMM Cn1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)c1C1CCC1 ZINC000343293839 1018560424 /nfs/dbraw/zinc/56/04/24/1018560424.db2.gz GRUIUGMRFRRZPO-UHFFFAOYSA-N -1 1 304.777 3.904 20 0 DHADMM Cc1ccc(OCCCC(=O)Nc2c([O-])cccc2F)c(C)c1 ZINC000676051493 1018648280 /nfs/dbraw/zinc/64/82/80/1018648280.db2.gz ZYQBRWJDUPXMRY-UHFFFAOYSA-N -1 1 317.360 3.946 20 0 DHADMM CCCOc1cccc(CC(=O)Nc2c([O-])cccc2F)c1 ZINC000676339503 1018707202 /nfs/dbraw/zinc/70/72/02/1018707202.db2.gz PHGOXEIXRBLEEJ-UHFFFAOYSA-N -1 1 303.333 3.501 20 0 DHADMM CC(C)(C)c1nc(COC(=O)Cc2ccc([O-])c(Cl)c2)co1 ZINC000922915857 1018898674 /nfs/dbraw/zinc/89/86/74/1018898674.db2.gz WEISPIZHKQIKBT-UHFFFAOYSA-N -1 1 323.776 3.617 20 0 DHADMM C[C@]1(CN=c2nc(C(F)(F)F)[n-]s2)C[C@@H]1c1ccccc1 ZINC000338737620 1018925441 /nfs/dbraw/zinc/92/54/41/1018925441.db2.gz FDMVSXNKIOPNCH-ZWNOBZJWSA-N -1 1 313.348 3.585 20 0 DHADMM CN(Cc1cccc(F)c1)C(=O)c1cc2ccccc2cc1[O-] ZINC000018080423 1018933355 /nfs/dbraw/zinc/93/33/55/1018933355.db2.gz QJTSMDDTUKSQTK-UHFFFAOYSA-N -1 1 309.340 3.957 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])c1ccc(-c2ccccc2)[nH]c1=O ZINC001171632543 1032795922 /nfs/dbraw/zinc/79/59/22/1032795922.db2.gz FQLYKBFNWUUPRM-UHFFFAOYSA-N -1 1 324.311 3.551 20 0 DHADMM CC(C)c1cc(CNC(=O)c2cc3ccccc3cc2[O-])on1 ZINC000074670576 1018966578 /nfs/dbraw/zinc/96/65/78/1018966578.db2.gz FVRNGTFOBTXRRH-UHFFFAOYSA-N -1 1 310.353 3.587 20 0 DHADMM Cc1sc([C@H](C)NCc2ccc(C3CC3)cc2)nc1C(=O)[O-] ZINC000900077819 1019003423 /nfs/dbraw/zinc/00/34/23/1019003423.db2.gz GJYKWPBAWZZGTN-JTQLQIEISA-N -1 1 316.426 3.878 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC2(CCC2)CC1 ZINC000672255235 1019061506 /nfs/dbraw/zinc/06/15/06/1019061506.db2.gz LVSNNPMPQPJGEP-UHFFFAOYSA-N -1 1 313.319 3.817 20 0 DHADMM CCOCc1ccccc1CNC(=O)c1cc(Cl)ccc1[O-] ZINC000030179407 1019195573 /nfs/dbraw/zinc/19/55/73/1019195573.db2.gz NAXZLWHAXBTJJR-UHFFFAOYSA-N -1 1 319.788 3.512 20 0 DHADMM COC(=O)Cc1cccc(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214489711 1019247004 /nfs/dbraw/zinc/24/70/04/1019247004.db2.gz ICPUOQFSOKPLBU-UHFFFAOYSA-N -1 1 309.724 3.644 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)sc1C ZINC000091010797 1019428701 /nfs/dbraw/zinc/42/87/01/1019428701.db2.gz JYRLBJPNADAZAU-UHFFFAOYSA-N -1 1 319.810 3.958 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)sc1C ZINC000091012126 1019429332 /nfs/dbraw/zinc/42/93/32/1019429332.db2.gz MKGUFQOFBNTFGJ-UHFFFAOYSA-N -1 1 319.810 3.958 20 0 DHADMM CC(C)Oc1c(Cl)cccc1[N-]S(=O)(=O)CCC1CC1 ZINC000092276412 1019514681 /nfs/dbraw/zinc/51/46/81/1019514681.db2.gz GZENRUTYMSMPNJ-UHFFFAOYSA-N -1 1 317.838 3.669 20 0 DHADMM CC(C)OC1CCC(NC(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000162864107 1019556209 /nfs/dbraw/zinc/55/62/09/1019556209.db2.gz VRIWXLUFKAMMJC-UHFFFAOYSA-N -1 1 311.809 3.512 20 0 DHADMM CC(C)N(Cc1cccnc1)C(=O)c1ccc2ccccc2c1[O-] ZINC000094020616 1019596517 /nfs/dbraw/zinc/59/65/17/1019596517.db2.gz MBVXCRXFWQPBGX-UHFFFAOYSA-N -1 1 320.392 3.991 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1Cl ZINC000146190367 1019685801 /nfs/dbraw/zinc/68/58/01/1019685801.db2.gz TXLZTNASCQRDEA-UHFFFAOYSA-N -1 1 320.801 3.931 20 0 DHADMM Cc1ncsc1CN(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000171696653 1019804775 /nfs/dbraw/zinc/80/47/75/1019804775.db2.gz OYAUABCOBLLTIZ-UHFFFAOYSA-N -1 1 312.394 3.583 20 0 DHADMM CC(C)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000068075155 1020013009 /nfs/dbraw/zinc/01/30/09/1020013009.db2.gz GNSRVXZIVWUPEA-UHFFFAOYSA-N -1 1 317.410 3.641 20 0 DHADMM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1ccc(Cl)c(Cl)c1 ZINC000235360155 1020169922 /nfs/dbraw/zinc/16/99/22/1020169922.db2.gz ZTYKWHNUJATEPV-MWLCHTKSSA-N -1 1 302.201 3.679 20 0 DHADMM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1csc(-c2ccsc2)n1 ZINC000235364871 1020172952 /nfs/dbraw/zinc/17/29/52/1020172952.db2.gz MDDOSBMTSAZSRV-GHMZBOCLSA-N -1 1 322.455 3.557 20 0 DHADMM Cc1nc(C(=O)[N-]c2cc(F)ccc2SCC(F)F)co1 ZINC000673619001 1020289473 /nfs/dbraw/zinc/28/94/73/1020289473.db2.gz UNQVMSPRVILDDW-UHFFFAOYSA-N -1 1 316.304 3.732 20 0 DHADMM CCN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CCCC1 ZINC000671921311 1020403988 /nfs/dbraw/zinc/40/39/88/1020403988.db2.gz GJIWJKQUXSTXKI-UHFFFAOYSA-N -1 1 301.308 3.816 20 0 DHADMM O=C(N[C@H](c1ccco1)c1ccccc1)c1c([O-])cccc1F ZINC000161384553 1020419352 /nfs/dbraw/zinc/41/93/52/1020419352.db2.gz XLWRQALMXLTDNZ-KRWDZBQOSA-N -1 1 311.312 3.644 20 0 DHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1 ZINC000055546208 1020449017 /nfs/dbraw/zinc/44/90/17/1020449017.db2.gz DGPYFGCCXIQJSS-UHFFFAOYSA-N -1 1 323.801 3.652 20 0 DHADMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)c1 ZINC000055555176 1020451163 /nfs/dbraw/zinc/45/11/63/1020451163.db2.gz FCRYWCDODCKZPJ-UHFFFAOYSA-N -1 1 323.801 3.652 20 0 DHADMM COc1ccccc1N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000148676836 1020917442 /nfs/dbraw/zinc/91/74/42/1020917442.db2.gz UPONTWZNXKRYQT-UHFFFAOYSA-N -1 1 307.349 3.831 20 0 DHADMM CC(C)n1c(CNC(=O)C[C@@H](C)C2CCCCC2)n[n-]c1=S ZINC000066639590 1021002951 /nfs/dbraw/zinc/00/29/51/1021002951.db2.gz JBPMDKKSIIOMTF-GFCCVEGCSA-N -1 1 324.494 3.744 20 0 DHADMM CC(C)n1c(CNC(=O)C[C@H](C)C2CCCCC2)n[n-]c1=S ZINC000066639591 1021003571 /nfs/dbraw/zinc/00/35/71/1021003571.db2.gz JBPMDKKSIIOMTF-LBPRGKRZSA-N -1 1 324.494 3.744 20 0 DHADMM CCOc1cc(C(=O)NCC2(C3CC3)CCC2)cc(Cl)c1[O-] ZINC000186917848 1021154036 /nfs/dbraw/zinc/15/40/36/1021154036.db2.gz UUSYWRZENHEICO-UHFFFAOYSA-N -1 1 323.820 3.754 20 0 DHADMM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000107582077 1021333784 /nfs/dbraw/zinc/33/37/84/1021333784.db2.gz SYEUZUDFWASSGQ-KZNAEPCWSA-N -1 1 311.381 3.518 20 0 DHADMM O=c1cc(CSc2ccccc2F)c2ccc([O-])cc2o1 ZINC000006402300 1021334270 /nfs/dbraw/zinc/33/42/70/1021334270.db2.gz ZIUGUDNZOSRBCB-UHFFFAOYSA-N -1 1 302.326 3.930 20 0 DHADMM C[C@H](CNC(=O)c1c([O-])cccc1Cl)Cc1cccs1 ZINC000743656221 1021344760 /nfs/dbraw/zinc/34/47/60/1021344760.db2.gz HNTCNQNURWFENW-JTQLQIEISA-N -1 1 309.818 3.716 20 0 DHADMM Cc1ccccc1O[C@@H](C)CNC(=O)c1c([O-])cccc1Cl ZINC000743718395 1021357148 /nfs/dbraw/zinc/35/71/48/1021357148.db2.gz NYPZQHVGDHMZLE-LBPRGKRZSA-N -1 1 319.788 3.551 20 0 DHADMM COc1cc(C(=O)N[C@H]2CCCC3(CC3)C2)cc(Cl)c1[O-] ZINC000888704379 1032977015 /nfs/dbraw/zinc/97/70/15/1032977015.db2.gz JPAQBRUFFZQAKY-NSHDSACASA-N -1 1 309.793 3.507 20 0 DHADMM CC1(C)CN(Cc2ccc([O-])c(F)c2F)Cc2ccccc21 ZINC001140892170 1021450827 /nfs/dbraw/zinc/45/08/27/1021450827.db2.gz CYBSYXXJERDEPC-UHFFFAOYSA-N -1 1 303.352 3.964 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C2CCC3(CC3)CC2)c1 ZINC000850267360 1021458284 /nfs/dbraw/zinc/45/82/84/1021458284.db2.gz XLXVRGPCOJBNCL-UHFFFAOYSA-N -1 1 316.397 3.651 20 0 DHADMM C[C@]1(CNC(=O)c2cc3ccccc3cc2[O-])CCCS1 ZINC000129475153 1021494616 /nfs/dbraw/zinc/49/46/16/1021494616.db2.gz ZHXRJALXRSBWEZ-QGZVFWFLSA-N -1 1 301.411 3.561 20 0 DHADMM CSc1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1C ZINC000538093918 1032984512 /nfs/dbraw/zinc/98/45/12/1032984512.db2.gz LRISRGOWDKTDGK-UHFFFAOYSA-N -1 1 311.403 3.657 20 0 DHADMM CC(=O)c1ccc(OC(=O)c2cccc(Cl)c2[O-])c(F)c1 ZINC001125852886 1021518368 /nfs/dbraw/zinc/51/83/68/1021518368.db2.gz RXJIOHRPQIBZAV-UHFFFAOYSA-N -1 1 308.692 3.607 20 0 DHADMM CCCCC[C@@H](C)CC(=O)Nc1[n-]c(C(=O)OC)cc1C(C)=O ZINC001625887997 1021522261 /nfs/dbraw/zinc/52/22/61/1021522261.db2.gz PWBOUQSABCOENE-LLVKDONJSA-N -1 1 322.405 3.549 20 0 DHADMM Cc1nc(SC[C@H]2C[C@@H]3[C@H](C2)C3(F)F)[n-]c(=O)c1C1CC1 ZINC000918463464 1021527998 /nfs/dbraw/zinc/52/79/98/1021527998.db2.gz ONCOIOPZEMXLIC-GUDFOSOFSA-N -1 1 312.385 3.751 20 0 DHADMM Cc1nc(SC[C@H]2CCC3(CCC3)CO2)[n-]c(=O)c1C1CC1 ZINC000918464272 1021528031 /nfs/dbraw/zinc/52/80/31/1021528031.db2.gz YJGMYIFHGZUJOJ-CYBMUJFWSA-N -1 1 320.458 3.809 20 0 DHADMM Cc1[n-]n(-c2cc(C(F)(F)F)ccc2F)c(=O)c1C1CC1 ZINC000634615644 1021599186 /nfs/dbraw/zinc/59/91/86/1021599186.db2.gz NBYKKJKAVNPYHI-GFCCVEGCSA-N -1 1 300.255 3.593 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C=C2CCCCC2)c1 ZINC000744855001 1021612598 /nfs/dbraw/zinc/61/25/98/1021612598.db2.gz ZGHWMNCCZGFQMR-UHFFFAOYSA-N -1 1 302.370 3.571 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC2(CCCC2=O)CC1 ZINC000619333053 1021727437 /nfs/dbraw/zinc/72/74/37/1021727437.db2.gz FFTPVTSIWKZABS-UHFFFAOYSA-N -1 1 323.392 3.521 20 0 DHADMM CC1(C)CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)[C@@H]1C1CC1 ZINC000644617600 1021780394 /nfs/dbraw/zinc/78/03/94/1021780394.db2.gz FDOXMNZGFUHYIZ-CYBMUJFWSA-N -1 1 313.319 3.672 20 0 DHADMM COc1ccc(C(=O)N(C)c2cccc3ccccc32)c([O-])c1 ZINC000619606859 1021807335 /nfs/dbraw/zinc/80/73/35/1021807335.db2.gz NAHQJONKBBPQGK-UHFFFAOYSA-N -1 1 307.349 3.831 20 0 DHADMM CCO[C@H]1C[C@@H](NC(=O)c2cc(Cl)ccc2[O-])C12CCCC2 ZINC001137104063 1033008820 /nfs/dbraw/zinc/00/88/20/1033008820.db2.gz BOLUNFYWCGPMKN-CABCVRRESA-N -1 1 323.820 3.513 20 0 DHADMM Cc1noc(C)c1[C@H](C)NC(=O)c1ccc2ccccc2c1[O-] ZINC000113836414 1021912453 /nfs/dbraw/zinc/91/24/53/1021912453.db2.gz QBBMYQPCGGUPOP-JTQLQIEISA-N -1 1 310.353 3.641 20 0 DHADMM CCc1ccc(C(=O)N2CCCc3ccc(OC)cc32)c([O-])c1 ZINC000619938950 1021964882 /nfs/dbraw/zinc/96/48/82/1021964882.db2.gz JZTGWITUTOHYLV-UHFFFAOYSA-N -1 1 311.381 3.556 20 0 DHADMM C/C(=C/c1ccc(F)cc1)C(=O)Nc1cc([O-])c(F)cc1F ZINC001625894416 1022053256 /nfs/dbraw/zinc/05/32/56/1022053256.db2.gz WZLTXXPUOXSKRO-TWGQIWQCSA-N -1 1 307.271 3.852 20 0 DHADMM COc1cccc2cc(C(=O)Nc3cc([O-])c(F)cc3F)oc21 ZINC001625894457 1022059440 /nfs/dbraw/zinc/05/94/40/1022059440.db2.gz YCBFWXLMWSTTMD-UHFFFAOYSA-N -1 1 319.263 3.678 20 0 DHADMM O=C(N[C@@H]1CCCc2ccccc21)c1c([O-])cccc1Cl ZINC000920422548 1022119451 /nfs/dbraw/zinc/11/94/51/1022119451.db2.gz CHDZYQVXUJHSJG-CQSZACIVSA-N -1 1 301.773 3.853 20 0 DHADMM CC(C)Oc1cccc(CNC(=O)c2c([O-])cccc2Cl)c1 ZINC000920455034 1022123299 /nfs/dbraw/zinc/12/32/99/1022123299.db2.gz RSIGILOYZMLHQN-UHFFFAOYSA-N -1 1 319.788 3.763 20 0 DHADMM CCc1ccc(CN(C)C(=O)c2c([O-])cccc2Cl)cc1 ZINC000920429137 1022126298 /nfs/dbraw/zinc/12/62/98/1022126298.db2.gz IODFRVYHFXTKOI-UHFFFAOYSA-N -1 1 303.789 3.880 20 0 DHADMM CC(=O)Nc1ccc(C(=O)/C=C/c2ccc([O-])c(Cl)c2)cc1 ZINC000180446339 1022139724 /nfs/dbraw/zinc/13/97/24/1022139724.db2.gz GDIJSCNRXYQBHU-KRXBUXKQSA-N -1 1 315.756 3.900 20 0 DHADMM O=C(NCc1ccc([O-])c(Cl)c1)N1CCC[C@@H]1C1CCC1 ZINC000876393514 1033035576 /nfs/dbraw/zinc/03/55/76/1033035576.db2.gz IUZBMPXHAAVXQV-CQSZACIVSA-N -1 1 308.809 3.520 20 0 DHADMM CC(C)(CC(F)(F)F)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876395982 1033036606 /nfs/dbraw/zinc/03/66/06/1033036606.db2.gz SQZBEPPGEFEDNK-UHFFFAOYSA-N -1 1 324.730 3.576 20 0 DHADMM CS[C@H]1CCCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000154301180 1022293214 /nfs/dbraw/zinc/29/32/14/1022293214.db2.gz JXKFOFAYXZOIEA-HNNXBMFYSA-N -1 1 315.438 3.903 20 0 DHADMM CC[C@H](OC1CCCC1)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885675919 1022448406 /nfs/dbraw/zinc/44/84/06/1022448406.db2.gz FOAVTGJPVBKDAL-AWEZNQCLSA-N -1 1 315.772 3.861 20 0 DHADMM CC(C)(C)c1ccc(CCCC(=O)[N-]OCC(F)(F)F)cc1 ZINC000766764652 1022472578 /nfs/dbraw/zinc/47/25/78/1022472578.db2.gz HUHPHBWHNVTUIT-UHFFFAOYSA-N -1 1 317.351 3.917 20 0 DHADMM CC[C@@H](CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1)OC ZINC000416907360 1022520077 /nfs/dbraw/zinc/52/00/77/1022520077.db2.gz MGPUJBWSPVEQFM-ZDUSSCGKSA-N -1 1 304.415 3.675 20 0 DHADMM COc1cccc(SC)c1[N-]C(=O)c1onc2c1CCCC2 ZINC000616350973 1022693290 /nfs/dbraw/zinc/69/32/90/1022693290.db2.gz TWAXOMJQQZGEPX-UHFFFAOYSA-N -1 1 318.398 3.536 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@@H](C)C1CCCCC1 ZINC000856225894 1022774097 /nfs/dbraw/zinc/77/40/97/1022774097.db2.gz AWERFWSIOJOLRL-GFCCVEGCSA-N -1 1 319.449 3.560 20 0 DHADMM CCCc1csc(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])n1 ZINC000417571117 1022786618 /nfs/dbraw/zinc/78/66/18/1022786618.db2.gz WWGJJBQMFXXRQU-LRDDRELGSA-N -1 1 318.442 3.647 20 0 DHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc(C)c(Cl)c2)o1 ZINC000417571091 1022787500 /nfs/dbraw/zinc/78/75/00/1022787500.db2.gz NKKKCAHRCPMYBH-CQSZACIVSA-N -1 1 307.777 3.855 20 0 DHADMM Cc1cccc(C)c1[C@H]1CCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC000617178985 1022870022 /nfs/dbraw/zinc/87/00/22/1022870022.db2.gz WCZKRHKLPAUDJG-QGZVFWFLSA-N -1 1 323.392 3.555 20 0 DHADMM CC/C(=C/C(=O)Nc1c([O-])cccc1F)c1ccc(OC)cc1 ZINC000092551588 1022909500 /nfs/dbraw/zinc/90/95/00/1022909500.db2.gz ITHCFNXJRIUCDN-QXMHVHEDSA-N -1 1 315.344 3.972 20 0 DHADMM Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccc([O-])c(F)c1 ZINC000768300140 1022942384 /nfs/dbraw/zinc/94/23/84/1022942384.db2.gz POIGDKABMBLSOW-UHFFFAOYSA-N -1 1 303.333 3.921 20 0 DHADMM CCOC(=O)c1cnoc1[N-]c1cc(OC(C)C)ccc1F ZINC001212308283 1022962672 /nfs/dbraw/zinc/96/26/72/1022962672.db2.gz QYWBLHODTOJUMP-UHFFFAOYSA-N -1 1 308.309 3.521 20 0 DHADMM CCC(CC)(NC(=O)c1cncc([O-])c1)c1ccc(Cl)cc1 ZINC000622345943 1023122752 /nfs/dbraw/zinc/12/27/52/1023122752.db2.gz WSLGPYQKQUKYEY-UHFFFAOYSA-N -1 1 318.804 3.886 20 0 DHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1CCCC(F)(F)C1 ZINC000337632278 1033110856 /nfs/dbraw/zinc/11/08/56/1033110856.db2.gz YUORRUVJVQZNLK-NSHDSACASA-N -1 1 321.327 3.546 20 0 DHADMM Cc1csc([C@@H](NC(=O)c2c([O-])cccc2Cl)C2CC2)n1 ZINC000769912968 1023233485 /nfs/dbraw/zinc/23/34/85/1023233485.db2.gz KYWVBOWUYNOVEX-ZDUSSCGKSA-N -1 1 322.817 3.692 20 0 DHADMM Cc1ccc(-c2csc(NC(=O)c3cncc([O-])c3)n2)s1 ZINC000109937376 1023252721 /nfs/dbraw/zinc/25/27/21/1023252721.db2.gz NNDYFRKKTRRHSG-UHFFFAOYSA-N -1 1 317.395 3.533 20 0 DHADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1nc2ccccc2s1 ZINC000772065615 1023511997 /nfs/dbraw/zinc/51/19/97/1023511997.db2.gz KTLCGJAXMCFXKC-SECBINFHSA-N -1 1 316.357 3.632 20 0 DHADMM CCOC(=O)c1ccc(OC)cc1-c1cccc([O-])c1Cl ZINC001242801915 1023620160 /nfs/dbraw/zinc/62/01/60/1023620160.db2.gz GKNGBOJGBKBDTD-UHFFFAOYSA-N -1 1 306.745 3.898 20 0 DHADMM CSc1ncc2c(ccnc2-c2cccc([O-])c2Cl)n1 ZINC001242801887 1023620654 /nfs/dbraw/zinc/62/06/54/1023620654.db2.gz ZYOBZZTUPZXBRK-UHFFFAOYSA-N -1 1 303.774 3.773 20 0 DHADMM COc1c(F)cc(Nc2cc3ccc([O-])cc3oc2=O)cc1F ZINC001211678726 1023828920 /nfs/dbraw/zinc/82/89/20/1023828920.db2.gz MMXQJLIZHVCWLU-UHFFFAOYSA-N -1 1 319.263 3.529 20 0 DHADMM C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)Cc1nc(C(=O)[O-])co1 ZINC000652429506 1023857421 /nfs/dbraw/zinc/85/74/21/1023857421.db2.gz VNHOZSWKBNZUEA-GHMZBOCLSA-N -1 1 322.792 3.650 20 0 DHADMM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)Cc1nc(C(=O)[O-])co1 ZINC000652429506 1023857426 /nfs/dbraw/zinc/85/74/26/1023857426.db2.gz VNHOZSWKBNZUEA-GHMZBOCLSA-N -1 1 322.792 3.650 20 0 DHADMM COC(=O)c1c[n-]c(SCCSc2ccc(C)c(C)c2)n1 ZINC000788506835 1023897943 /nfs/dbraw/zinc/89/79/43/1023897943.db2.gz YBCCZYWOUCMJAD-UHFFFAOYSA-N -1 1 322.455 3.698 20 0 DHADMM Cc1cnc(SC[C@H]2CCC[C@H](c3ccccc3)O2)[n-]c1=O ZINC000882173628 1023982867 /nfs/dbraw/zinc/98/28/67/1023982867.db2.gz LFHXFVPWGACWNK-HUUCEWRRSA-N -1 1 316.426 3.893 20 0 DHADMM Cc1cnc(SC[C@H]2CC[C@@H](c3ccccc3)O2)[n-]c1=O ZINC000882174940 1023985811 /nfs/dbraw/zinc/98/58/11/1023985811.db2.gz XWXNZHDBJAEPRU-KGLIPLIRSA-N -1 1 302.399 3.503 20 0 DHADMM Cc1c(C(=O)Nc2nc(Cl)ccc2[O-])cnc2ccccc12 ZINC000790047077 1024212785 /nfs/dbraw/zinc/21/27/85/1024212785.db2.gz CXKFZUZCMWGYMW-UHFFFAOYSA-N -1 1 313.744 3.550 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccccc1OC1CCC1 ZINC000790051704 1024213954 /nfs/dbraw/zinc/21/39/54/1024213954.db2.gz REQOSISVKPYZIG-UHFFFAOYSA-N -1 1 318.760 3.624 20 0 DHADMM O=C(Cc1coc2cc(F)ccc12)Nc1nc(Cl)ccc1[O-] ZINC000790056917 1024214835 /nfs/dbraw/zinc/21/48/35/1024214835.db2.gz QAOVJYMHSZIBDW-UHFFFAOYSA-N -1 1 320.707 3.507 20 0 DHADMM CCOc1cccc2cc([C@@H](C)[N-]c3nnc(C(F)F)o3)oc21 ZINC000432331152 1024484506 /nfs/dbraw/zinc/48/45/06/1024484506.db2.gz JMZPTCHDEKYLQT-MRVPVSSYSA-N -1 1 323.299 4.325 20 0 DHADMM CCc1cc2c(COC(=O)C[C@H](C)CC)cc(=O)oc2cc1[O-] ZINC000791500052 1024515369 /nfs/dbraw/zinc/51/53/69/1024515369.db2.gz UICSDXJHRYPYIV-LLVKDONJSA-N -1 1 318.369 3.540 20 0 DHADMM COc1ccccc1-c1cccc(NC(=O)c2cncc([O-])c2)c1 ZINC000111622475 1024530029 /nfs/dbraw/zinc/53/00/29/1024530029.db2.gz KVMSSIMIJFZQTC-UHFFFAOYSA-N -1 1 320.348 3.715 20 0 DHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cccc(Cl)c1 ZINC000339118513 1024570161 /nfs/dbraw/zinc/57/01/61/1024570161.db2.gz IBASHFPOUVEZKP-UHFFFAOYSA-N -1 1 313.744 3.688 20 0 DHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccccc1Cl ZINC000339124322 1024571667 /nfs/dbraw/zinc/57/16/67/1024571667.db2.gz UYIARURXXXNIEJ-UHFFFAOYSA-N -1 1 313.744 3.688 20 0 DHADMM O=c1nc2nc[nH]c2c(Nc2cccc3c4ccccc4oc32)[n-]1 ZINC001170234750 1024702228 /nfs/dbraw/zinc/70/22/28/1024702228.db2.gz YXYUNQWCWORVMD-UHFFFAOYSA-N -1 1 317.308 3.702 20 0 DHADMM C[C@H]1c2ccc(F)cc2CCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000606318875 1024724687 /nfs/dbraw/zinc/72/46/87/1024724687.db2.gz WEESGQVOWXMUMF-JTQLQIEISA-N -1 1 319.763 3.944 20 0 DHADMM CCOc1ccc([N-]S(=O)(=O)c2ccsc2)cc1Cl ZINC000350012036 1024781346 /nfs/dbraw/zinc/78/13/46/1024781346.db2.gz AZOURFSCXZWRGB-UHFFFAOYSA-N -1 1 317.819 3.601 20 0 DHADMM C[C@@H]1c2ccccc2CN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001167853825 1024794360 /nfs/dbraw/zinc/79/43/60/1024794360.db2.gz FRQNWGIWJSAKEX-GFCCVEGCSA-N -1 1 319.360 3.968 20 0 DHADMM O=C([O-])[C@@H]1CCCCN1Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000263399406 1024965916 /nfs/dbraw/zinc/96/59/16/1024965916.db2.gz HPMXSLYLMIIBJT-LBPRGKRZSA-N -1 1 321.726 3.798 20 0 DHADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(Cl)cc1Cl ZINC000263457109 1025015428 /nfs/dbraw/zinc/01/54/28/1025015428.db2.gz AZBOTFYROHNOLX-ONGXEEELSA-N -1 1 302.201 3.679 20 0 DHADMM COc1ccc(NC(=O)Nc2ccc([O-])c(F)c2F)c(C)c1 ZINC001202723094 1025062425 /nfs/dbraw/zinc/06/24/25/1025062425.db2.gz BUYLFJWLOUBFSU-UHFFFAOYSA-N -1 1 308.284 3.631 20 0 DHADMM COc1ccc(NC(=O)Nc2cc([O-])c(F)cc2F)c(C)c1 ZINC001202725769 1025078081 /nfs/dbraw/zinc/07/80/81/1025078081.db2.gz PEWZPOYBGRBUAK-UHFFFAOYSA-N -1 1 308.284 3.631 20 0 DHADMM O=C([O-])C[C@H](NCc1ccc(F)cc1Cl)c1cccs1 ZINC000236423476 1025132676 /nfs/dbraw/zinc/13/26/76/1025132676.db2.gz ZMVNHEILQIJWKJ-LBPRGKRZSA-N -1 1 313.781 3.846 20 0 DHADMM O=C(CCc1cccc(F)c1F)Nc1ccc([O-])c(F)c1F ZINC001157805720 1025139081 /nfs/dbraw/zinc/13/90/81/1025139081.db2.gz NBDUTQDONYUEIL-UHFFFAOYSA-N -1 1 313.250 3.520 20 0 DHADMM COc1ccc(NC(=O)Nc2cc(F)c([O-])cc2F)c(C)c1 ZINC001202729023 1025153865 /nfs/dbraw/zinc/15/38/65/1025153865.db2.gz MZWPTCAMGYJLTC-UHFFFAOYSA-N -1 1 308.284 3.631 20 0 DHADMM CSc1cccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c1 ZINC000337746776 1025157469 /nfs/dbraw/zinc/15/74/69/1025157469.db2.gz GUCWBIIWDXMHBN-UHFFFAOYSA-N -1 1 318.423 3.691 20 0 DHADMM COc1ncc(Nc2c([O-])cc(F)cc2F)cc1C(F)(F)F ZINC001212801502 1025202504 /nfs/dbraw/zinc/20/25/04/1025202504.db2.gz UFBBCOSXPRGTPP-UHFFFAOYSA-N -1 1 320.217 3.836 20 0 DHADMM CSc1ccc([O-])c(C(=O)N2CCc3ccc(Cl)cc32)c1 ZINC001137216711 1025270132 /nfs/dbraw/zinc/27/01/32/1025270132.db2.gz UNSHRUIQFUCZLF-UHFFFAOYSA-N -1 1 319.813 3.970 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@@H]1CCCCC1(F)F ZINC000885677971 1025378509 /nfs/dbraw/zinc/37/85/09/1025378509.db2.gz FLHBENLLXOQERH-ZETCQYMHSA-N -1 1 307.699 3.949 20 0 DHADMM CC1(C)CC[C@H](CC(=O)Nc2cc(F)c([O-])cc2Cl)OC1 ZINC000885680061 1025381689 /nfs/dbraw/zinc/38/16/89/1025381689.db2.gz KPUZONSHUIIGAC-SECBINFHSA-N -1 1 315.772 3.719 20 0 DHADMM COCC1(C(=O)Nc2cc(F)c([O-])cc2Cl)CCCCC1 ZINC000885679960 1025382243 /nfs/dbraw/zinc/38/22/43/1025382243.db2.gz JEPJXYHAXWULDW-UHFFFAOYSA-N -1 1 315.772 3.720 20 0 DHADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1ccccc1C1CCC1 ZINC001129758757 1025409705 /nfs/dbraw/zinc/40/97/05/1025409705.db2.gz HRVMNXRHJKBHSN-UHFFFAOYSA-N -1 1 323.396 3.581 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)cc1Cl ZINC000110140398 1025605787 /nfs/dbraw/zinc/60/57/87/1025605787.db2.gz OXPTULUZKFCTLE-UHFFFAOYSA-N -1 1 320.801 3.931 20 0 DHADMM CN(Cc1ccccc1Cl)C(=O)c1c(F)ccc([O-])c1F ZINC000355524111 1025756151 /nfs/dbraw/zinc/75/61/51/1025756151.db2.gz RBPAUSJULJYJNR-UHFFFAOYSA-N -1 1 311.715 3.596 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CC=C(c2ccccc2F)CC1 ZINC000137351912 1025892646 /nfs/dbraw/zinc/89/26/46/1025892646.db2.gz CJFQOBARYHAGHW-UHFFFAOYSA-N -1 1 315.319 3.600 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N1Cc2cccc(Cl)c2C1 ZINC000807815796 1026118549 /nfs/dbraw/zinc/11/85/49/1026118549.db2.gz QTQNONVJZLPYSG-UHFFFAOYSA-N -1 1 308.164 3.855 20 0 DHADMM CC[C@H]1CCc2c(sc3nc(-c4coc(C)n4)[n-]c(=O)c23)C1 ZINC000290029203 1026292470 /nfs/dbraw/zinc/29/24/70/1026292470.db2.gz YBTASRARWVBACS-VIFPVBQESA-N -1 1 315.398 3.875 20 0 DHADMM O=C(N[C@H]1CC[C@H](c2ccc(F)cc2)C1)c1ccc([O-])cc1F ZINC000280175235 1026608880 /nfs/dbraw/zinc/60/88/80/1026608880.db2.gz CGQNVZYTLITIOF-JSGCOSHPSA-N -1 1 317.335 3.737 20 0 DHADMM O=c1cc(C(F)F)nc(SCc2cnc(Cl)s2)[n-]1 ZINC000809986287 1026656457 /nfs/dbraw/zinc/65/64/57/1026656457.db2.gz BGRUEVAYGSNJKC-UHFFFAOYSA-N -1 1 309.750 3.522 20 0 DHADMM COc1cc(-c2noc(-c3ccc([O-])cc3F)n2)ccc1C ZINC000436688231 1026847378 /nfs/dbraw/zinc/84/73/78/1026847378.db2.gz KCMIIEWMYVCUGW-UHFFFAOYSA-N -1 1 300.289 3.565 20 0 DHADMM Cc1nc2sccn2c1CN(C)Cc1cccc([O-])c1Cl ZINC000295306323 1027190479 /nfs/dbraw/zinc/19/04/79/1027190479.db2.gz KGIFSFRRZNFGEX-UHFFFAOYSA-N -1 1 321.833 3.695 20 0 DHADMM CC(C)c1nsc([N-]C(=O)c2coc(C3CCCCC3)n2)n1 ZINC001133193134 1027205227 /nfs/dbraw/zinc/20/52/27/1027205227.db2.gz WIADIMXJPQKNMG-UHFFFAOYSA-N -1 1 320.418 3.950 20 0 DHADMM C/C=C\c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000572795365 1027229418 /nfs/dbraw/zinc/22/94/18/1027229418.db2.gz ZPTALGDZRZTCBK-IHWYPQMZSA-N -1 1 309.337 3.799 20 0 DHADMM C[C@@H](C(=O)[N-]OC/C=C/Cl)c1ccccc1C(F)(F)F ZINC000812400525 1027260909 /nfs/dbraw/zinc/26/09/09/1027260909.db2.gz NULLBCCRBULLGE-ILFKPUCNSA-N -1 1 307.699 3.609 20 0 DHADMM Cc1ccc(F)cc1CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000574488387 1027398598 /nfs/dbraw/zinc/39/85/98/1027398598.db2.gz SIJLYALZSCBUCJ-UHFFFAOYSA-N -1 1 300.305 3.860 20 0 DHADMM C[C@@H](C(=O)[N-]OC1CCC1)c1cccc(C(=O)c2ccccc2)c1 ZINC000812794810 1027421886 /nfs/dbraw/zinc/42/18/86/1027421886.db2.gz QEIALKPFFHQONE-CQSZACIVSA-N -1 1 323.392 3.621 20 0 DHADMM CCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])[C@H](C)C(C)C ZINC000574846484 1027434668 /nfs/dbraw/zinc/43/46/68/1027434668.db2.gz PSTLXIAMTXNVKC-SNVBAGLBSA-N -1 1 303.324 3.918 20 0 DHADMM COc1ccc([C@H]2CCCN2Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000575413090 1027483187 /nfs/dbraw/zinc/48/31/87/1027483187.db2.gz WZEBZEYQPKPNDG-QGZVFWFLSA-N -1 1 315.369 3.632 20 0 DHADMM Cc1ccc([C@@H]([N-]c2nnc(C(C)C)o2)c2ccccn2)cc1 ZINC000562536462 1027487735 /nfs/dbraw/zinc/48/77/35/1027487735.db2.gz MDSKPDOSQJZEDE-MRXNPFEDSA-N -1 1 308.385 4.098 20 0 DHADMM CCc1nc(SCc2ccn(C(CC)CC)n2)[n-]c(=O)c1C ZINC000575882702 1027521882 /nfs/dbraw/zinc/52/18/82/1027521882.db2.gz XQEVZUIODILINJ-UHFFFAOYSA-N -1 1 320.462 3.903 20 0 DHADMM CC(C)=CCC[C@@H](C)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000296992329 1027771804 /nfs/dbraw/zinc/77/18/04/1027771804.db2.gz RWSVUHZNLAGHOI-GFCCVEGCSA-N -1 1 319.449 3.653 20 0 DHADMM Cc1nc(SCCCC(=O)OC(C)(C)C)[n-]c(=O)c1C1CC1 ZINC000601088630 1027980278 /nfs/dbraw/zinc/98/02/78/1027980278.db2.gz WJHBLGXZQGXWIE-UHFFFAOYSA-N -1 1 324.446 3.582 20 0 DHADMM CC(C)(CNC(=O)c1cc2ccccc2cc1[O-])C(F)(F)F ZINC000578525817 1028171104 /nfs/dbraw/zinc/17/11/04/1028171104.db2.gz AUKTYUKLVRRFME-UHFFFAOYSA-N -1 1 311.303 3.864 20 0 DHADMM CCc1nc(SCCO[C@H]2CCCC[C@@H]2C)[n-]c(=O)c1C ZINC000578523994 1028171503 /nfs/dbraw/zinc/17/15/03/1028171503.db2.gz YACBGNTYWUVTFG-FZMZJTMJSA-N -1 1 310.463 3.740 20 0 DHADMM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1csc(C(C)(C)C)n1 ZINC000578644732 1028202555 /nfs/dbraw/zinc/20/25/55/1028202555.db2.gz DSKAVYGNTCPJLM-MDZLAQPJSA-N -1 1 310.463 3.514 20 0 DHADMM CCc1onc(C)c1[N-]C(=O)c1noc2c1CCc1ccccc1-2 ZINC000935121279 1028203142 /nfs/dbraw/zinc/20/31/42/1028203142.db2.gz RBDGENZNVVINMY-UHFFFAOYSA-N -1 1 323.352 3.551 20 0 DHADMM C[C@H]1[C@H](c2ccccc2)C[C@@H]1NC(=O)c1c(F)ccc([O-])c1F ZINC000368051717 1028292110 /nfs/dbraw/zinc/29/21/10/1028292110.db2.gz PJXUZEVXQMTOJG-SUHUHFCYSA-N -1 1 317.335 3.592 20 0 DHADMM Cc1nc(C(C)C)ccc1COC(=O)c1ccc([O-])cc1F ZINC000815230084 1028422229 /nfs/dbraw/zinc/42/22/29/1028422229.db2.gz OUHIWOMKKIPGAQ-UHFFFAOYSA-N -1 1 303.333 3.715 20 0 DHADMM CCc1cc(=O)[n-]c(SC[C@H]2CCC3(CCCCC3)O2)n1 ZINC000368915226 1028423968 /nfs/dbraw/zinc/42/39/68/1028423968.db2.gz SELHZGGKVZVCQI-CYBMUJFWSA-N -1 1 308.447 3.719 20 0 DHADMM CC(C)OCc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000579527068 1028431083 /nfs/dbraw/zinc/43/10/83/1028431083.db2.gz BFBXHHKZRBJKHK-UHFFFAOYSA-N -1 1 321.323 3.848 20 0 DHADMM O=C(N[C@H]1CC[C@H](c2ccccc2F)C1)c1ccc([O-])cc1F ZINC000369537563 1028500937 /nfs/dbraw/zinc/50/09/37/1028500937.db2.gz RUEYTDKBFFAVSM-RYUDHWBXSA-N -1 1 317.335 3.737 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc2c(c1)CCCC2=O ZINC000815852351 1028642277 /nfs/dbraw/zinc/64/22/77/1028642277.db2.gz RAKPOMJXRPIBSK-UHFFFAOYSA-N -1 1 315.756 3.817 20 0 DHADMM [O-]c1ccc(-c2noc(/C=C/c3cscn3)n2)c(Cl)c1 ZINC000567212735 1028857908 /nfs/dbraw/zinc/85/79/08/1028857908.db2.gz XKHJNKBACKDXIP-DAFODLJHSA-N -1 1 305.746 3.723 20 0 DHADMM Cc1ccc2nc(C(=O)Nc3nc(Cl)ccc3[O-])ccc2c1 ZINC000816426676 1028865108 /nfs/dbraw/zinc/86/51/08/1028865108.db2.gz RERZGQFHZYOGCV-UHFFFAOYSA-N -1 1 313.744 3.550 20 0 DHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCCc2ccccc21 ZINC001135603360 1028896845 /nfs/dbraw/zinc/89/68/45/1028896845.db2.gz GCLZPQMIKAQAFY-UHFFFAOYSA-N -1 1 319.360 3.844 20 0 DHADMM C[C@H]1CC2(CCC2)CN1C(=O)c1ccc(Br)cc1[O-] ZINC000372914004 1028921338 /nfs/dbraw/zinc/92/13/38/1028921338.db2.gz VMWWREISJCBIDH-JTQLQIEISA-N -1 1 324.218 3.559 20 0 DHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)[C@H]1CCSC1 ZINC000628233164 1028952124 /nfs/dbraw/zinc/95/21/24/1028952124.db2.gz KWIWMJFCQCBZMB-VIFPVBQESA-N -1 1 307.802 3.890 20 0 DHADMM O=C(C[C@@H]1CCOC1)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000628233155 1028952773 /nfs/dbraw/zinc/95/27/73/1028952773.db2.gz KDFJLCGSBNWITJ-JTQLQIEISA-N -1 1 305.761 3.564 20 0 DHADMM CC(C)(NC(=O)c1c([O-])cccc1Cl)c1ccccc1F ZINC000817039167 1029059150 /nfs/dbraw/zinc/05/91/50/1029059150.db2.gz HDNJNKSMUUHYOL-UHFFFAOYSA-N -1 1 307.752 3.850 20 0 DHADMM O=C(NC[C@@H](c1ccccc1)C1CC1)c1c([O-])cccc1Cl ZINC000817089405 1029073294 /nfs/dbraw/zinc/07/32/94/1029073294.db2.gz WXJSWLKKSCYZFD-AWEZNQCLSA-N -1 1 315.800 3.969 20 0 DHADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC001136018595 1029260985 /nfs/dbraw/zinc/26/09/85/1029260985.db2.gz AQLPWFJXZBVVFK-SQWLQELKSA-N -1 1 315.413 3.602 20 0 DHADMM CCc1cc(=O)[n-]c(SCc2nc3cc(C)ccc3s2)n1 ZINC000629174012 1029263818 /nfs/dbraw/zinc/26/38/18/1029263818.db2.gz APJIGMJNFYELAH-UHFFFAOYSA-N -1 1 317.439 3.955 20 0 DHADMM Cc1ccc([C@H]2C[C@H](C)CCN2Cc2ccc(C(=O)[O-])cn2)o1 ZINC000569856860 1029276715 /nfs/dbraw/zinc/27/67/15/1029276715.db2.gz KIDRUUFYOJHUBZ-MLGOLLRUSA-N -1 1 314.385 3.654 20 0 DHADMM CC(C)Oc1ccccc1CN1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC000629372921 1029316808 /nfs/dbraw/zinc/31/68/08/1029316808.db2.gz FMXOWNXWCWNKNJ-IXDOHACOSA-N -1 1 317.429 3.549 20 0 DHADMM CC(C)(C)C(C)(C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629380345 1029319625 /nfs/dbraw/zinc/31/96/25/1029319625.db2.gz MCEWEOHMEZGJQB-UHFFFAOYSA-N -1 1 301.390 3.589 20 0 DHADMM CC1=C(C)C[C@H](C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CC1 ZINC000629379576 1029321016 /nfs/dbraw/zinc/32/10/16/1029321016.db2.gz FIDWRTMRTIJXIL-CQSZACIVSA-N -1 1 311.385 3.653 20 0 DHADMM CCC(CC)(CO)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529538647 1029377151 /nfs/dbraw/zinc/37/71/51/1029377151.db2.gz IGDNNSKIZIURKC-UHFFFAOYSA-N -1 1 321.804 3.936 20 0 DHADMM CCC[C@H](C(=O)[O-])N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000570577325 1029387005 /nfs/dbraw/zinc/38/70/05/1029387005.db2.gz WTFKCUQQNLAZQH-CYBMUJFWSA-N -1 1 302.201 3.605 20 0 DHADMM C[C@H]1C[C@@H](C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CO1 ZINC000529538329 1029398652 /nfs/dbraw/zinc/39/86/52/1029398652.db2.gz AHADRFKNUISQPZ-VHSXEESVSA-N -1 1 305.761 3.562 20 0 DHADMM O=C(c1cc(Br)ccc1[O-])N1CCCC2(CC2)CC1 ZINC000629653271 1029406454 /nfs/dbraw/zinc/40/64/54/1029406454.db2.gz HIXJHEQURHGROI-UHFFFAOYSA-N -1 1 324.218 3.561 20 0 DHADMM Cc1cccc(C2(CNC(=O)c3cncc([O-])c3)CCCCC2)c1 ZINC001136276743 1029621037 /nfs/dbraw/zinc/62/10/37/1029621037.db2.gz JHZBRDAFQGGETR-UHFFFAOYSA-N -1 1 324.424 3.728 20 0 DHADMM C[C@H]1CC(F)(F)CCN1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000530171538 1029771049 /nfs/dbraw/zinc/77/10/49/1029771049.db2.gz BNSLCCCSDNBCLY-VIFPVBQESA-N -1 1 303.736 3.658 20 0 DHADMM Cc1ccc(-c2nnc([N-]C(=O)c3ccns3)s2)c(C)c1 ZINC001136410732 1029805487 /nfs/dbraw/zinc/80/54/87/1029805487.db2.gz LDWPLWGUOXLUDB-UHFFFAOYSA-N -1 1 316.411 3.531 20 0 DHADMM CC(C)(CCc1ccccc1)NC(=O)c1ccc(F)c([O-])c1 ZINC001136578271 1030009603 /nfs/dbraw/zinc/00/96/03/1030009603.db2.gz HBWAMEFPJJGLDZ-UHFFFAOYSA-N -1 1 301.361 3.673 20 0 DHADMM COc1cc(C)ccc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000614866241 1030276139 /nfs/dbraw/zinc/27/61/39/1030276139.db2.gz ULVJRNQFTDSSIC-UHFFFAOYSA-N -1 1 319.426 3.730 20 0 DHADMM O=C(NCCc1cccc2ccccc21)c1cccc([O-])c1F ZINC001136716734 1030282381 /nfs/dbraw/zinc/28/23/81/1030282381.db2.gz KGPKBZQMHNETJD-UHFFFAOYSA-N -1 1 309.340 3.657 20 0 DHADMM COc1cccc(SC)c1[N-]C(=O)c1coc(C(C)(C)C)n1 ZINC000823695974 1030364891 /nfs/dbraw/zinc/36/48/91/1030364891.db2.gz VDLMRCZXDWOYSY-UHFFFAOYSA-N -1 1 320.414 3.955 20 0 DHADMM C[C@H](NC(=O)c1cccc([O-])c1F)c1nc2ccccc2s1 ZINC001136818322 1030471578 /nfs/dbraw/zinc/47/15/78/1030471578.db2.gz TVNVUBJGMCCKFK-VIFPVBQESA-N -1 1 316.357 3.632 20 0 DHADMM O=C(Nc1ccccc1CC(F)(F)F)c1ccc(F)c([O-])c1 ZINC001136833159 1030491968 /nfs/dbraw/zinc/49/19/68/1030491968.db2.gz FRBHMKXECRNAFF-UHFFFAOYSA-N -1 1 313.250 3.888 20 0 DHADMM CC[C@](C)(NC(=O)c1cc(Cl)ccc1[O-])c1nc(C)cs1 ZINC001136836907 1030495683 /nfs/dbraw/zinc/49/56/83/1030495683.db2.gz QPXQCTSIEVNJQW-HNNXBMFYSA-N -1 1 324.833 3.866 20 0 DHADMM Cc1cc(C=O)c([O-])c(C(=O)N2CCCCC[C@@H]2CC(C)C)c1 ZINC001136860714 1030530571 /nfs/dbraw/zinc/53/05/71/1030530571.db2.gz ZHDNBYQLQSVHLK-MRXNPFEDSA-N -1 1 317.429 3.944 20 0 DHADMM O=c1oc2cc([O-])ccc2cc1Nc1cccc(OC(F)F)c1 ZINC001212058463 1030767866 /nfs/dbraw/zinc/76/78/66/1030767866.db2.gz IVUFVDINMSWLPD-UHFFFAOYSA-N -1 1 319.263 3.844 20 0 DHADMM Cc1nc2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2o1 ZINC000074838545 1030906868 /nfs/dbraw/zinc/90/68/68/1030906868.db2.gz OGNRWXNIOFNVRS-UHFFFAOYSA-N -1 1 316.382 3.554 20 0 DHADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1cccc(COC)c1 ZINC000171329154 1030973195 /nfs/dbraw/zinc/97/31/95/1030973195.db2.gz XNCXYPXJGMPVBT-UHFFFAOYSA-N -1 1 319.426 3.505 20 0 DHADMM CC(C)c1scnc1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000633124938 1031029495 /nfs/dbraw/zinc/02/94/95/1031029495.db2.gz WTFMVQMWHKEHQS-UHFFFAOYSA-N -1 1 310.806 3.807 20 0 DHADMM CC[C@H](C(=O)[N-]OCCCC(F)(F)F)c1ccc(F)cc1 ZINC000871215255 1031164295 /nfs/dbraw/zinc/16/42/95/1031164295.db2.gz VNMPMNHARSUEBF-LBPRGKRZSA-N -1 1 307.287 3.710 20 0 DHADMM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1cc(Cl)sc1Cl)C2 ZINC000263520226 1031203613 /nfs/dbraw/zinc/20/36/13/1031203613.db2.gz QNFZSTULVIEFJC-TVQRCGJNSA-N -1 1 320.241 3.742 20 0 DHADMM CCOCc1ccc(-c2nc3ccc(OCC)cc3c(=O)[n-]2)cc1 ZINC000871602106 1031244429 /nfs/dbraw/zinc/24/44/29/1031244429.db2.gz VIYIZIFNLVQRPD-UHFFFAOYSA-N -1 1 324.380 3.525 20 0 DHADMM CC(C)(C)SCSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000871647426 1031255302 /nfs/dbraw/zinc/25/53/02/1031255302.db2.gz IUQDQTFNZVHYDV-UHFFFAOYSA-N -1 1 314.476 3.645 20 0 DHADMM COc1cc(C(=O)Nc2c(C)noc2C(C)C)cc(Cl)c1[O-] ZINC000928788871 1031383450 /nfs/dbraw/zinc/38/34/50/1031383450.db2.gz HYUVVMVIGVQTMY-UHFFFAOYSA-N -1 1 324.764 3.726 20 0 DHADMM CC1(C)CCc2c([n-]n(Cc3cccc4cccnc43)c2=O)C1 ZINC000871946785 1031384578 /nfs/dbraw/zinc/38/45/78/1031384578.db2.gz XTHVLBUSUGNTAM-OAHLLOKOSA-N -1 1 307.397 3.759 20 0 DHADMM CCc1[n-]n(-c2ccc(Cl)c(C(F)(F)F)c2)c(=O)c1F ZINC000871956969 1031385261 /nfs/dbraw/zinc/38/52/61/1031385261.db2.gz JLZFRUKLAQFQAK-SNVBAGLBSA-N -1 1 308.662 3.810 20 0 DHADMM O=c1c2c([n-]n1[C@@H]1CCOC3(CCCC3)C1)CCCCCC2 ZINC000871964769 1031389074 /nfs/dbraw/zinc/38/90/74/1031389074.db2.gz ZPDUBXKXFQIFRR-CABCVRRESA-N -1 1 304.434 3.647 20 0 DHADMM COc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)ccc1C ZINC000445477122 1031433861 /nfs/dbraw/zinc/43/38/61/1031433861.db2.gz BBWSPZNPKSWCHI-UHFFFAOYSA-N -1 1 300.289 3.565 20 0 DHADMM O=C([O-])c1cccc(Cl)c1CN1CCC[C@H](C(F)(F)F)C1 ZINC000872163391 1031544088 /nfs/dbraw/zinc/54/40/88/1031544088.db2.gz FUKRNUREIUQKHB-VIFPVBQESA-N -1 1 321.726 3.813 20 0 DHADMM C[C@@H](CC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1ccccc1 ZINC001144426520 1031589005 /nfs/dbraw/zinc/58/90/05/1031589005.db2.gz XIMVLRGIVDPJGJ-AWEZNQCLSA-N -1 1 321.380 3.710 20 0 DHADMM [O-]c1cc(F)c(CN2CCC(Oc3ccccc3)CC2)c(F)c1 ZINC001144541115 1031688871 /nfs/dbraw/zinc/68/88/71/1031688871.db2.gz BAOAHCALJCJAIU-UHFFFAOYSA-N -1 1 319.351 3.714 20 0 DHADMM CN(CCc1ccccc1Cl)Cc1c(F)cc([O-])cc1F ZINC001144554826 1031700853 /nfs/dbraw/zinc/70/08/53/1031700853.db2.gz IZGRCLKBOSPXQE-UHFFFAOYSA-N -1 1 311.759 3.998 20 0 DHADMM [O-]c1cc(F)c(CN2CCc3ccc(Cl)cc3C2)cc1F ZINC001144646667 1031785234 /nfs/dbraw/zinc/78/52/34/1031785234.db2.gz GEPZTAWIDSNEOU-UHFFFAOYSA-N -1 1 309.743 3.882 20 0 DHADMM CCN(Cc1cccc(F)c1F)Cc1cc(F)c([O-])cc1F ZINC001144659272 1031811965 /nfs/dbraw/zinc/81/19/65/1031811965.db2.gz BDNNHEQFPIBVGP-UHFFFAOYSA-N -1 1 313.294 3.971 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2coc(C(F)F)c2)c1 ZINC000860155712 1033314551 /nfs/dbraw/zinc/31/45/51/1033314551.db2.gz ZIEHSVPNDRTPRM-UHFFFAOYSA-N -1 1 324.279 3.525 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(C(F)F)o2)c1 ZINC000860338887 1033365357 /nfs/dbraw/zinc/36/53/57/1033365357.db2.gz LYTCZPSLNUXPEN-UHFFFAOYSA-N -1 1 324.279 3.525 20 0 DHADMM CC(C)[C@H]([NH2+]Cc1nnc(-c2ccccc2O)o1)c1ccccc1 ZINC000877928679 1033519249 /nfs/dbraw/zinc/51/92/49/1033519249.db2.gz DWWMWSCGUSZAIG-SFHVURJKSA-N -1 1 323.396 3.929 20 0 DHADMM C[N@@H+](Cc1nnc(-c2ccccc2O)o1)[C@H]1CCc2ccccc21 ZINC000877950486 1033526422 /nfs/dbraw/zinc/52/64/22/1033526422.db2.gz AJSKFAUTHXSORL-INIZCTEOSA-N -1 1 321.380 3.562 20 0 DHADMM CC[N@@H+](Cc1nnc(-c2ccccc2O)o1)Cc1ccc(C)cc1 ZINC000878004928 1033550935 /nfs/dbraw/zinc/55/09/35/1033550935.db2.gz DZXPMLFUKOHZNF-UHFFFAOYSA-N -1 1 323.396 3.773 20 0 DHADMM COc1ccc(-c2noc(-c3ccncc3[O-])n2)c2ccccc12 ZINC001212722543 1033685721 /nfs/dbraw/zinc/68/57/21/1033685721.db2.gz NLTZWZWUYHJAEX-UHFFFAOYSA-N -1 1 319.320 3.666 20 0 DHADMM CC(=O)CCCCCCNC(=O)c1cc2ccccc2cc1[O-] ZINC000862073734 1033754351 /nfs/dbraw/zinc/75/43/51/1033754351.db2.gz WFPQVEBKHPEELQ-UHFFFAOYSA-N -1 1 313.397 3.815 20 0 DHADMM C[C@H](NC(=O)c1cc(Cl)ccc1[O-])[C@@H](C)c1ccccc1 ZINC001137134197 1033758881 /nfs/dbraw/zinc/75/88/81/1033758881.db2.gz DWYCOHGVMHXJGS-NEPJUHHUSA-N -1 1 303.789 3.968 20 0 DHADMM Cc1cccnc1[C@@H](NC(=O)c1ccc([O-])cc1F)C(C)(C)C ZINC000889889439 1033767706 /nfs/dbraw/zinc/76/77/06/1033767706.db2.gz QFQCBMROOSTQRW-MRXNPFEDSA-N -1 1 316.376 3.752 20 0 DHADMM CC(C)(C)c1ncc(/C=C/C(=O)Nc2cccc(F)c2[O-])s1 ZINC000863010649 1033975910 /nfs/dbraw/zinc/97/59/10/1033975910.db2.gz XHAWBHKGEHIJLC-BQYQJAHWSA-N -1 1 320.389 3.937 20 0 DHADMM O=C(NCC1(C(F)(F)F)CCCC1)c1c([O-])cccc1Cl ZINC000863508279 1034113793 /nfs/dbraw/zinc/11/37/93/1034113793.db2.gz QEDZUOGSLJKJLV-UHFFFAOYSA-N -1 1 321.726 3.898 20 0 DHADMM COc1cc(C(=O)NCC(C)(C)C(C)(C)C)cc(Cl)c1[O-] ZINC000554379643 1034126968 /nfs/dbraw/zinc/12/69/68/1034126968.db2.gz NQDCQKUMHSMUBU-UHFFFAOYSA-N -1 1 313.825 3.856 20 0 DHADMM CC(=O)NCc1ccc(Nc2cc([O-])c(Cl)cc2F)cc1 ZINC001174232024 1034238377 /nfs/dbraw/zinc/23/83/77/1034238377.db2.gz URIRFZHBKAXSBA-UHFFFAOYSA-N -1 1 308.740 3.564 20 0 DHADMM CC(=O)NCc1cccc(Nc2cc([O-])c(Cl)cc2F)c1 ZINC001174369012 1034345021 /nfs/dbraw/zinc/34/50/21/1034345021.db2.gz JAUGXPYSBXHWEN-UHFFFAOYSA-N -1 1 308.740 3.564 20 0 DHADMM CC(C)CCn1cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cn1 ZINC001174416102 1034404012 /nfs/dbraw/zinc/40/40/12/1034404012.db2.gz AIGJQBPPRYERFC-UHFFFAOYSA-N -1 1 311.389 3.564 20 0 DHADMM O=c1oc2cc([O-])ccc2cc1Nc1ccc(N2CCCC2)cc1 ZINC001174525951 1034441750 /nfs/dbraw/zinc/44/17/50/1034441750.db2.gz BWVCCLVGKDRLDW-UHFFFAOYSA-N -1 1 322.364 3.842 20 0 DHADMM COc1cc(Nc2cc3ccc([O-])cc3oc2=O)cc(F)c1F ZINC001174581933 1034487677 /nfs/dbraw/zinc/48/76/77/1034487677.db2.gz HUJNWPYFNXVDHH-UHFFFAOYSA-N -1 1 319.263 3.529 20 0 DHADMM Cc1nc(SC[C@H]2CC2(Cl)Cl)[n-]c(=O)c1C1CC1 ZINC000865373024 1034613125 /nfs/dbraw/zinc/61/31/25/1034613125.db2.gz CEVAPBRYLRWCFW-MRVPVSSYSA-N -1 1 305.230 3.654 20 0 DHADMM O=c1ccn(-c2ccc(Nc3cccc4cccnc43)cc2)[n-]1 ZINC001174860004 1034650882 /nfs/dbraw/zinc/65/08/82/1034650882.db2.gz IXSBOHGYWZXOSK-UHFFFAOYSA-N -1 1 302.337 3.870 20 0 DHADMM CCCCCc1ccc([N-]S(=O)(=O)c2cccc(N)c2)cc1 ZINC001175013333 1034736113 /nfs/dbraw/zinc/73/61/13/1034736113.db2.gz LJSIHBJKXHEAPY-UHFFFAOYSA-N -1 1 318.442 3.802 20 0 DHADMM CC(=O)c1ccc(Nc2cc3ccc([O-])cc3oc2=O)cc1F ZINC001175229084 1034877585 /nfs/dbraw/zinc/87/75/85/1034877585.db2.gz UGGKXGWYRQXHJS-UHFFFAOYSA-N -1 1 313.284 3.584 20 0 DHADMM Cc1cccc2ncc(Nc3ccc(C(=O)[O-])c(Cl)c3)n21 ZINC001175316243 1034930967 /nfs/dbraw/zinc/93/09/67/1034930967.db2.gz OEWOIVXOQFTABY-UHFFFAOYSA-N -1 1 301.733 3.738 20 0 DHADMM COc1ncc([N-]c2cc(CCc3ccccc3)no2)s1 ZINC001175386896 1034965084 /nfs/dbraw/zinc/96/50/84/1034965084.db2.gz JESLDMFLQBCNSX-UHFFFAOYSA-N -1 1 301.371 3.669 20 0 DHADMM CC(=O)OCc1cccc(C)c1Nc1ccnc(Cl)c1[O-] ZINC001212769479 1034976918 /nfs/dbraw/zinc/97/69/18/1034976918.db2.gz UGLMUUFMAWQOLT-UHFFFAOYSA-N -1 1 306.749 3.556 20 0 DHADMM COc1ccc(Nc2ccc(Cl)c(Cl)c2[O-])c(OC)n1 ZINC001175587148 1035032752 /nfs/dbraw/zinc/03/27/52/1035032752.db2.gz BYUSQBUHFQJZMK-UHFFFAOYSA-N -1 1 315.156 3.855 20 0 DHADMM Cc1nnc(-c2cccc(Nc3cc([O-])c(F)c(F)c3)c2)o1 ZINC001175997644 1035179837 /nfs/dbraw/zinc/17/98/37/1035179837.db2.gz OSLRGQPXHLYWTN-UHFFFAOYSA-N -1 1 303.268 3.772 20 0 DHADMM O=C(OCc1ncc(-c2ccccc2)o1)c1ccc([O-])cc1F ZINC000773569233 1035257358 /nfs/dbraw/zinc/25/73/58/1035257358.db2.gz KQPVGDPTXICQTE-UHFFFAOYSA-N -1 1 313.284 3.543 20 0 DHADMM [O-]c1c(Br)c(F)ccc1Nc1ccc(O)cc1F ZINC001176412833 1035267599 /nfs/dbraw/zinc/26/75/99/1035267599.db2.gz UMNVMVZJTXLHRC-UHFFFAOYSA-N -1 1 316.101 3.882 20 0 DHADMM Cn1cc([N-]c2nnc(C(C)(C)C)s2)c(-c2ccccc2)n1 ZINC001176562111 1035295436 /nfs/dbraw/zinc/29/54/36/1035295436.db2.gz CJDSJLOGUQTYED-UHFFFAOYSA-N -1 1 313.430 3.980 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ccnn2-c2ccc(F)cc2)c1F ZINC001176664587 1035309292 /nfs/dbraw/zinc/30/92/92/1035309292.db2.gz RFORQLHJTLBWLJ-UHFFFAOYSA-N -1 1 323.249 3.878 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ncccc2C(F)(F)F)c1F ZINC001176663474 1035309320 /nfs/dbraw/zinc/30/93/20/1035309320.db2.gz GEXMKYDHYQLSTQ-UHFFFAOYSA-N -1 1 308.181 3.967 20 0 DHADMM Nc1cc(F)c(Cl)cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176671545 1035310020 /nfs/dbraw/zinc/31/00/20/1035310020.db2.gz GKGUWPKZLTZYGT-UHFFFAOYSA-N -1 1 306.646 3.928 20 0 DHADMM Cc1cc(C)cc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)c1 ZINC000484063819 1035318329 /nfs/dbraw/zinc/31/83/29/1035318329.db2.gz HDFXYWLEAHUJHX-UHFFFAOYSA-N -1 1 319.364 3.510 20 0 DHADMM CCc1ncc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)s1 ZINC000903998475 1035336286 /nfs/dbraw/zinc/33/62/86/1035336286.db2.gz RLDSDEMIAFDHKW-ZDUSSCGKSA-N -1 1 324.833 3.665 20 0 DHADMM O=C([O-])[C@@H]1CC=C[C@@H](NCc2csc(Cl)c2Cl)C1 ZINC000904035643 1035348473 /nfs/dbraw/zinc/34/84/73/1035348473.db2.gz PNCZGMUZAYTHPV-VXNVDRBHSA-N -1 1 306.214 3.564 20 0 DHADMM CCOc1ccc(CN[C@H](CC(=O)[O-])c2ccccc2F)cc1 ZINC000904044824 1035351472 /nfs/dbraw/zinc/35/14/72/1035351472.db2.gz FHUFFNJLYCYFPB-QGZVFWFLSA-N -1 1 317.360 3.530 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)C2(F)CCCC2)c1 ZINC000773633397 1035359208 /nfs/dbraw/zinc/35/92/08/1035359208.db2.gz FOPJKFIJPVBLSM-UHFFFAOYSA-N -1 1 316.170 3.684 20 0 DHADMM CCO[C@@H](c1noc(-c2cc(SC)ccc2[O-])n1)C(C)C ZINC000904127800 1035370485 /nfs/dbraw/zinc/37/04/85/1035370485.db2.gz UHAIDOHCRFALTK-CYBMUJFWSA-N -1 1 308.403 3.898 20 0 DHADMM CCCc1ccc([C@H](N[C@H](C)C(=O)[O-])c2cccs2)cc1 ZINC000904204803 1035385213 /nfs/dbraw/zinc/38/52/13/1035385213.db2.gz ZDKDTQMNBLYXAK-WBMJQRKESA-N -1 1 303.427 3.853 20 0 DHADMM C[C@@H](CNC(=O)c1ccc(C(F)(F)F)c([O-])c1)C(C)(C)C ZINC001178013211 1035404489 /nfs/dbraw/zinc/40/44/89/1035404489.db2.gz JGUNMQVWUZUHQE-VIFPVBQESA-N -1 1 303.324 3.823 20 0 DHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])C1Cc2ccccc2C1 ZINC001178545253 1035434838 /nfs/dbraw/zinc/43/48/38/1035434838.db2.gz MKDOPAIVIZRDPS-UHFFFAOYSA-N -1 1 321.298 3.765 20 0 DHADMM CCc1ccc(C(=O)Nc2c(C(C)C)nc3ccccn32)c([O-])c1 ZINC001178753430 1035445603 /nfs/dbraw/zinc/44/56/03/1035445603.db2.gz NHYRCVWKULDHFN-UHFFFAOYSA-N -1 1 323.396 3.978 20 0 DHADMM CCN(Cc1ccc([O-])c(F)c1F)Cc1c(F)cccc1F ZINC001179869351 1035526681 /nfs/dbraw/zinc/52/66/81/1035526681.db2.gz RTPVPRVBMJMWEU-UHFFFAOYSA-N -1 1 313.294 3.971 20 0 DHADMM CC[C@@H](CC(F)(F)F)[N-]C(=O)C(F)(F)c1ccccc1F ZINC000760602472 1035572693 /nfs/dbraw/zinc/57/26/93/1035572693.db2.gz KVGVSXQDADWSTG-QMMMGPOBSA-N -1 1 313.241 3.765 20 0 DHADMM CC(C)[C@H]1CCc2nc(NC(=O)c3ccccc3[O-])sc2C1 ZINC001180110143 1035602096 /nfs/dbraw/zinc/60/20/96/1035602096.db2.gz MXQOQFHZSAAYDI-NSHDSACASA-N -1 1 316.426 3.862 20 0 DHADMM Cc1nc(CC(C)C)oc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000190818467 1035634498 /nfs/dbraw/zinc/63/44/98/1035634498.db2.gz JIVAXHWKQUPVSL-UHFFFAOYSA-N -1 1 308.765 3.793 20 0 DHADMM C/C(=C/c1ccccc1)CN1CCOc2cc(C(=O)[O-])ccc2C1 ZINC000905799132 1035656962 /nfs/dbraw/zinc/65/69/62/1035656962.db2.gz PTBHMRNVMPVXHF-PTNGSMBKSA-N -1 1 323.392 3.683 20 0 DHADMM CC[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1ccccc1N ZINC001193885979 1035753296 /nfs/dbraw/zinc/75/32/96/1035753296.db2.gz KSRUMXLHZBIAKR-GFCCVEGCSA-N -1 1 304.415 3.583 20 0 DHADMM C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc([O-])c(F)c1F ZINC001180802867 1035769115 /nfs/dbraw/zinc/76/91/15/1035769115.db2.gz XTKOQGLABJDMGJ-SCZZXKLOSA-N -1 1 309.278 3.833 20 0 DHADMM C[C@@H](N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-])C(C)(C)C ZINC000539610362 1035795404 /nfs/dbraw/zinc/79/54/04/1035795404.db2.gz BIOODWGNXCGHHZ-SECBINFHSA-N -1 1 303.324 3.918 20 0 DHADMM C[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000485655015 1035803511 /nfs/dbraw/zinc/80/35/11/1035803511.db2.gz GOQJCGVNDBMUIU-SECBINFHSA-N -1 1 319.744 3.517 20 0 DHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(C(C)C)nc1 ZINC001194605719 1035971287 /nfs/dbraw/zinc/97/12/87/1035971287.db2.gz RZUAOFKGYPXMEQ-UHFFFAOYSA-N -1 1 304.415 3.623 20 0 DHADMM Cc1nc2ccc([N-]S(=O)(=O)c3c(C)cccc3C)cc2o1 ZINC001194634765 1035974559 /nfs/dbraw/zinc/97/45/59/1035974559.db2.gz ZZIGQUFOXFJEMP-UHFFFAOYSA-N -1 1 316.382 3.554 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N(CCc1ccccc1)C1CC1 ZINC000914490268 1035976600 /nfs/dbraw/zinc/97/66/00/1035976600.db2.gz IBMVHERMZKQAOI-UHFFFAOYSA-N -1 1 315.800 3.893 20 0 DHADMM CCC(CC)COC(=O)Nc1nc(Br)ccc1[O-] ZINC001194683958 1035993636 /nfs/dbraw/zinc/99/36/36/1035993636.db2.gz MHNQRMMXOCOLJD-UHFFFAOYSA-N -1 1 317.183 3.534 20 0 DHADMM Cc1ccc(-c2cc(C(=O)O[C@H](C)c3cnccc3C)[nH]n2)o1 ZINC000773945147 1035997377 /nfs/dbraw/zinc/99/73/77/1035997377.db2.gz PDWZOVKUAFHWMK-GFCCVEGCSA-N -1 1 311.341 3.600 20 0 DHADMM Cc1cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc(Cl)n1 ZINC001195120960 1036142689 /nfs/dbraw/zinc/14/26/89/1036142689.db2.gz YHTJKQFXOMKSNV-UHFFFAOYSA-N -1 1 324.833 3.968 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1ccc(N2CCCCCC2)cc1 ZINC001195484477 1036266097 /nfs/dbraw/zinc/26/60/97/1036266097.db2.gz NJCQTPNGNZERNB-UHFFFAOYSA-N -1 1 321.446 3.510 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1cccc2cccc(Cl)c21 ZINC001195494092 1036267800 /nfs/dbraw/zinc/26/78/00/1036267800.db2.gz JCOUMKJWTZANLJ-UHFFFAOYSA-N -1 1 308.790 3.936 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1ccc(OC(CC)CC)cc1 ZINC001195493193 1036270399 /nfs/dbraw/zinc/27/03/99/1036270399.db2.gz ZWFHYYCTWQKNCC-UHFFFAOYSA-N -1 1 310.419 3.697 20 0 DHADMM COc1ccccc1NC(=S)Nc1cccc([O-])c1Cl ZINC001196255992 1036483435 /nfs/dbraw/zinc/48/34/35/1036483435.db2.gz FGIXMYPBNJOWLX-UHFFFAOYSA-N -1 1 308.790 3.863 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)C(F)=C1CCC1 ZINC000908708191 1036486637 /nfs/dbraw/zinc/48/66/37/1036486637.db2.gz QDDMPMMWORZHOX-UHFFFAOYSA-N -1 1 300.127 3.501 20 0 DHADMM CCn1c(C(=O)Nc2nc(Cl)ccc2[O-])cc2ccccc21 ZINC001183209769 1036550821 /nfs/dbraw/zinc/55/08/21/1036550821.db2.gz MAQZNJXDYWPLQM-UHFFFAOYSA-N -1 1 315.760 3.668 20 0 DHADMM CC[C@H](CNc1ccccc1)NC(=O)c1cc(Cl)ccc1[O-] ZINC001183507613 1036614289 /nfs/dbraw/zinc/61/42/89/1036614289.db2.gz FWSYSHGUTWSRBM-CYBMUJFWSA-N -1 1 318.804 3.666 20 0 DHADMM O=C([N-]CCCSCc1cc2ccccc2o1)C(F)(F)F ZINC000774679303 1036665991 /nfs/dbraw/zinc/66/59/91/1036665991.db2.gz JHJCRXSHFYTLKM-UHFFFAOYSA-N -1 1 317.332 3.735 20 0 DHADMM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909985805 1036730210 /nfs/dbraw/zinc/73/02/10/1036730210.db2.gz PUBGJNPBLBPFSN-MEBBXXQBSA-N -1 1 313.344 3.594 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000909986976 1036732943 /nfs/dbraw/zinc/73/29/43/1036732943.db2.gz FRRCCXAAYZNFRE-NKWVEPMBSA-N -1 1 309.234 3.588 20 0 DHADMM O=C(NCCC1CC=CC1)c1c([O-])cnc2ccc(Cl)cc21 ZINC001184246990 1036786079 /nfs/dbraw/zinc/78/60/79/1036786079.db2.gz SFDPGFOGECJRGO-UHFFFAOYSA-N -1 1 316.788 3.680 20 0 DHADMM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2c([O-])cccc2Cl)C1 ZINC000762568812 1036842327 /nfs/dbraw/zinc/84/23/27/1036842327.db2.gz JSMWKQRUEDLUNN-GHMZBOCLSA-N -1 1 313.850 3.792 20 0 DHADMM CCC/C(C)=C/C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000762789055 1036940823 /nfs/dbraw/zinc/94/08/23/1036940823.db2.gz VMUMBUKAQJXATM-BUHFOSPRSA-N -1 1 315.413 3.560 20 0 DHADMM C[C@]1(CC(=O)Nc2cc(F)cc(F)c2[O-])CC1(Cl)Cl ZINC000910987418 1037021591 /nfs/dbraw/zinc/02/15/91/1037021591.db2.gz MORJKEDXOLPDMB-NSHDSACASA-N -1 1 310.127 3.583 20 0 DHADMM O=C(Nc1cc(F)cc(F)c1[O-])c1conc1C1CCCC1 ZINC000910991395 1037022963 /nfs/dbraw/zinc/02/29/63/1037022963.db2.gz PSKCAPOMEIKIPZ-UHFFFAOYSA-N -1 1 308.284 3.568 20 0 DHADMM O=C(Nc1ccc(F)c(F)c1F)Nc1cc(Cl)ncc1[O-] ZINC001185293965 1037094951 /nfs/dbraw/zinc/09/49/51/1037094951.db2.gz FNLITUOJDDWNGU-UHFFFAOYSA-N -1 1 317.654 3.502 20 0 DHADMM O=C(Nc1cc(F)c([O-])c(F)c1)Nc1ccc(F)c(F)c1F ZINC001185329558 1037114151 /nfs/dbraw/zinc/11/41/51/1037114151.db2.gz HDAPXFLHNANMHS-UHFFFAOYSA-N -1 1 318.201 3.732 20 0 DHADMM Cc1cc(F)cc(C)c1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198869600 1037156286 /nfs/dbraw/zinc/15/62/86/1037156286.db2.gz GOFGMEYGQBCDBP-UHFFFAOYSA-N -1 1 319.357 3.990 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2ccc3ocnc3c2)ccc1Cl ZINC001185521087 1037167301 /nfs/dbraw/zinc/16/73/01/1037167301.db2.gz NCSSAJKUTLOHOC-UHFFFAOYSA-N -1 1 322.773 3.590 20 0 DHADMM O=C(Nc1ccc2c(c1)CCC2)Nc1cc(Cl)ncc1[O-] ZINC001185735405 1037224057 /nfs/dbraw/zinc/22/40/57/1037224057.db2.gz AHRQVQATUORLBG-UHFFFAOYSA-N -1 1 303.749 3.573 20 0 DHADMM Cc1cc(C)c([N-]S(=O)(=O)c2cccc(F)c2C)cc1C ZINC001185836697 1037246450 /nfs/dbraw/zinc/24/64/50/1037246450.db2.gz TZTJWVRRJBDEPQ-UHFFFAOYSA-N -1 1 307.390 3.860 20 0 DHADMM Cc1cc(F)cc(C)c1[N-]S(=O)(=O)c1cccc(F)c1C ZINC001185837372 1037246649 /nfs/dbraw/zinc/24/66/49/1037246649.db2.gz YXZZFUISDJGSFA-UHFFFAOYSA-N -1 1 311.353 3.691 20 0 DHADMM O=C(Nc1cc(Cl)ncc1[O-])Nc1c(F)cc(F)cc1F ZINC001186021474 1037293095 /nfs/dbraw/zinc/29/30/95/1037293095.db2.gz XVPVJFAXOKXKEH-UHFFFAOYSA-N -1 1 317.654 3.502 20 0 DHADMM Cc1c(Cl)onc1C(=O)[N-]c1cc(Cl)cc2ncoc21 ZINC001199673600 1037301494 /nfs/dbraw/zinc/30/14/94/1037301494.db2.gz FMDJBKZTOUNXPI-UHFFFAOYSA-N -1 1 312.112 3.683 20 0 DHADMM [O-]c1ccc(F)c(Nc2cncc(C(F)(F)F)n2)c1Cl ZINC001250228893 1037312418 /nfs/dbraw/zinc/31/24/18/1037312418.db2.gz PRLLEJISUYGAAZ-UHFFFAOYSA-N -1 1 307.634 3.737 20 0 DHADMM COc1cc(Cl)nc(Nc2c(F)ccc([O-])c2Cl)c1 ZINC001250230381 1037326858 /nfs/dbraw/zinc/32/68/58/1037326858.db2.gz WICNFOWREJWBHQ-UHFFFAOYSA-N -1 1 303.120 3.985 20 0 DHADMM O=C(Nc1c(Cl)ccc2ncccc21)c1ccc([O-])c(F)c1 ZINC001186227149 1037339194 /nfs/dbraw/zinc/33/91/94/1037339194.db2.gz XNBAVCRTPNRHSE-UHFFFAOYSA-N -1 1 316.719 3.985 20 0 DHADMM O=C(Nc1cnc2cc(Cl)ccc2c1)c1ccc([O-])c(F)c1 ZINC001186208881 1037344859 /nfs/dbraw/zinc/34/48/59/1037344859.db2.gz LBGBOFTWSIAXBL-UHFFFAOYSA-N -1 1 316.719 3.985 20 0 DHADMM [O-]c1cc(Cl)c(Cl)cc1NC(=S)Nc1cccnc1 ZINC001199901436 1037359013 /nfs/dbraw/zinc/35/90/13/1037359013.db2.gz LSYFNDYWXSUFLB-UHFFFAOYSA-N -1 1 314.197 3.903 20 0 DHADMM O=C(Nc1cc(F)c(Cl)nc1Cl)c1ccc([O-])cc1F ZINC001186311001 1037365873 /nfs/dbraw/zinc/36/58/73/1037365873.db2.gz KDXZVCXBXMQVKT-UHFFFAOYSA-N -1 1 319.094 3.625 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])N[C@@H]1CCCc2ccccc21 ZINC001186453276 1037403533 /nfs/dbraw/zinc/40/35/33/1037403533.db2.gz IEKBZQXMWRQJGL-CQSZACIVSA-N -1 1 300.333 3.730 20 0 DHADMM CC(C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)C1 ZINC001186696709 1037470487 /nfs/dbraw/zinc/47/04/87/1037470487.db2.gz JTNBRZFCSKTFDL-MNOVXSKESA-N -1 1 321.389 3.710 20 0 DHADMM Cc1cccc(-n2ccnc2SCC(=O)c2ccc([O-])cc2)c1 ZINC000026046646 1037476148 /nfs/dbraw/zinc/47/61/48/1037476148.db2.gz AKZYCDJZPBTLAT-UHFFFAOYSA-N -1 1 324.405 3.861 20 0 DHADMM O=S(=O)([O-])c1c(N=C2CCSCC2)ccc2ccccc21 ZINC001201342174 1037620609 /nfs/dbraw/zinc/62/06/09/1037620609.db2.gz IWBBKXHGESQRKY-UHFFFAOYSA-N -1 1 321.423 3.519 20 0 DHADMM CCOc1ncc(Cl)cc1Nc1ccc(F)c(F)c1[O-] ZINC001201513032 1037735689 /nfs/dbraw/zinc/73/56/89/1037735689.db2.gz HNZLKYWAOCZMJM-UHFFFAOYSA-N -1 1 300.692 3.861 20 0 DHADMM CCCc1cc(=O)[n-]c(SCC2([C@@H]3CCCCO3)CCC2)n1 ZINC001188163073 1037830461 /nfs/dbraw/zinc/83/04/61/1037830461.db2.gz NVNFPQYYZKBZEZ-AWEZNQCLSA-N -1 1 322.474 3.966 20 0 DHADMM CCc1nccc(C)c1NC(=O)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188572632 1037921625 /nfs/dbraw/zinc/92/16/25/1037921625.db2.gz SEENRJXDOCQNQT-UHFFFAOYSA-N -1 1 324.302 3.929 20 0 DHADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)Cc2ccccc2C)n[nH]1 ZINC000494301865 1038046306 /nfs/dbraw/zinc/04/63/06/1038046306.db2.gz SMKAOZZQPNJZPV-ZDUSSCGKSA-N -1 1 321.446 3.564 20 0 DHADMM CCOc1ccccc1NC(=O)Nc1c(F)cc([O-])cc1F ZINC001202146041 1038057976 /nfs/dbraw/zinc/05/79/76/1038057976.db2.gz BNFNOYJELDIAQQ-UHFFFAOYSA-N -1 1 308.284 3.713 20 0 DHADMM Cc1nc(SCCSCc2ccccc2)[n-]c(=O)c1C ZINC001189061495 1038061030 /nfs/dbraw/zinc/06/10/30/1038061030.db2.gz PIGJDKDQEWEWFO-UHFFFAOYSA-N -1 1 306.456 3.825 20 0 DHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)c(C)cc2C)c1 ZINC001189236047 1038097621 /nfs/dbraw/zinc/09/76/21/1038097621.db2.gz SVFJWEBQENIPJX-UHFFFAOYSA-N -1 1 317.410 3.615 20 0 DHADMM Cc1cccc(C)c1NC(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001202198910 1038103112 /nfs/dbraw/zinc/10/31/12/1038103112.db2.gz OIALVODVBYNVDJ-UHFFFAOYSA-N -1 1 322.368 3.839 20 0 DHADMM COc1ccc([C@H](C)N(C)C(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000127065067 1038144578 /nfs/dbraw/zinc/14/45/78/1038144578.db2.gz UVFSZMPJMKUBCM-NSHDSACASA-N -1 1 319.788 3.887 20 0 DHADMM [O-]c1ccc(CN2CC[C@](F)(c3ccccc3)C2)c(F)c1F ZINC001205527222 1038338630 /nfs/dbraw/zinc/33/86/30/1038338630.db2.gz SABCISOGIVNZQR-QGZVFWFLSA-N -1 1 307.315 3.741 20 0 DHADMM CCc1nc(SCCCC(=O)c2ccccc2)[n-]c(=O)c1C ZINC000572180055 1038349814 /nfs/dbraw/zinc/34/98/14/1038349814.db2.gz MEHPDRBRNQZPBM-UHFFFAOYSA-N -1 1 316.426 3.808 20 0 DHADMM COc1cc(C(=O)Nc2ccc(O)c(C)c2C)cc(Cl)c1[O-] ZINC001191146870 1038449229 /nfs/dbraw/zinc/44/92/29/1038449229.db2.gz KQAWVIXJZMBKOE-UHFFFAOYSA-N -1 1 321.760 3.629 20 0 DHADMM C[C@]12CCCC[C@H]1CN2C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000629616704 1038449984 /nfs/dbraw/zinc/44/99/84/1038449984.db2.gz JQZPPMALVKGGCP-NHYWBVRUSA-N -1 1 313.319 3.816 20 0 DHADMM CC(C)(C)c1ccc(C(=O)Nc2nccnc2C2CC2)c([O-])c1 ZINC001192315151 1038627549 /nfs/dbraw/zinc/62/75/49/1038627549.db2.gz YCPHHPAMVUJCMH-UHFFFAOYSA-N -1 1 311.385 3.609 20 0 DHADMM CC(C)(C)c1ccc(C(=O)Nc2cccc3c2COC3)c([O-])c1 ZINC001192335330 1038628701 /nfs/dbraw/zinc/62/87/01/1038628701.db2.gz GUELAHIEGHUXJN-UHFFFAOYSA-N -1 1 311.381 3.972 20 0 DHADMM CC[C@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccccc1OC ZINC001192551293 1038673978 /nfs/dbraw/zinc/67/39/78/1038673978.db2.gz DPKFQEFPCGMOLI-LBPRGKRZSA-N -1 1 321.323 3.560 20 0 DHADMM COc1cc(C)c(NC(=O)c2c(F)ccc([O-])c2F)cc1C ZINC001192539496 1038678841 /nfs/dbraw/zinc/67/88/41/1038678841.db2.gz JSDDPBBNWTZESJ-UHFFFAOYSA-N -1 1 307.296 3.548 20 0 DHADMM CN(C(=O)c1c(F)ccc([O-])c1F)C(C)(C)Cc1ccccc1 ZINC001192536033 1038678987 /nfs/dbraw/zinc/67/89/87/1038678987.db2.gz PDSBQDBOTLCSDH-UHFFFAOYSA-N -1 1 319.351 3.764 20 0 DHADMM CC(C)C[C@@H](NC(=O)c1cc([O-])cc(F)c1F)c1ccccn1 ZINC001192683682 1038691635 /nfs/dbraw/zinc/69/16/35/1038691635.db2.gz IGQFVNDRNJMNHO-OAHLLOKOSA-N -1 1 320.339 3.583 20 0 DHADMM Nc1cccc2cccc(NC(=O)c3cc([O-])cc(F)c3F)c12 ZINC001192665563 1038693480 /nfs/dbraw/zinc/69/34/80/1038693480.db2.gz NZAHMZUMLVENKQ-UHFFFAOYSA-N -1 1 314.291 3.658 20 0 DHADMM O=C(N[C@H]1CCc2ccc(F)cc21)c1cc(Cl)ccc1[O-] ZINC000592656305 1039251020 /nfs/dbraw/zinc/25/10/20/1039251020.db2.gz FOWUPVKYWHHELR-AWEZNQCLSA-N -1 1 305.736 3.602 20 0 DHADMM C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2c([O-])cccc2F)o1 ZINC000605440114 1039684262 /nfs/dbraw/zinc/68/42/62/1039684262.db2.gz KPLDOCHKINNGRZ-CMPLNLGQSA-N -1 1 303.333 3.819 20 0 DHADMM COc1cc(/C=C/C(=O)c2cccc(C#N)c2)cc(Cl)c1[O-] ZINC000059270167 1039906744 /nfs/dbraw/zinc/90/67/44/1039906744.db2.gz VMBRHWJALNLHEE-AATRIKPKSA-N -1 1 313.740 3.822 20 0 DHADMM Cc1noc(C)c1[N-]C(=O)c1nc(-c2cccs2)oc1C ZINC000063447165 1040279737 /nfs/dbraw/zinc/27/97/37/1040279737.db2.gz WUZKAHRLUPEIEK-UHFFFAOYSA-N -1 1 303.343 3.569 20 0 DHADMM CCC(CC)(CNC(=O)c1cc(Cl)ccc1[O-])SC ZINC000231678687 1040381367 /nfs/dbraw/zinc/38/13/67/1040381367.db2.gz CBIUODCMFHGJLQ-UHFFFAOYSA-N -1 1 301.839 3.697 20 0 DHADMM CSc1ccc(O[C@H](C)C(=O)Nc2c([O-])cccc2F)cc1 ZINC000608365751 1040471697 /nfs/dbraw/zinc/47/16/97/1040471697.db2.gz JCOYTCMQFHAEQX-SNVBAGLBSA-N -1 1 321.373 3.659 20 0 DHADMM C[C@H](CC(=O)c1ccccc1F)C(=O)Nc1c([O-])cccc1F ZINC000608366779 1040473713 /nfs/dbraw/zinc/47/37/13/1040473713.db2.gz YRMSSJWXHMWTPI-SNVBAGLBSA-N -1 1 319.307 3.518 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1ccc(F)c(C(F)(F)F)c1 ZINC000608366669 1040474262 /nfs/dbraw/zinc/47/42/62/1040474262.db2.gz VQLPAOXZSUXUIH-UHFFFAOYSA-N -1 1 317.213 3.942 20 0 DHADMM Cc1c2cccc(F)c2oc1C(=O)Nc1c([O-])cccc1F ZINC000608366978 1040474672 /nfs/dbraw/zinc/47/46/72/1040474672.db2.gz FECGVHHCVBBANN-UHFFFAOYSA-N -1 1 303.264 3.977 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1cccc(Oc2ccncc2)c1 ZINC000608365363 1040474922 /nfs/dbraw/zinc/47/49/22/1040474922.db2.gz DQAKXJLRXYKQSU-UHFFFAOYSA-N -1 1 324.311 3.971 20 0 DHADMM Cc1ccc(C(C)C)c(OCC(=O)Nc2c([O-])cccc2F)c1 ZINC000608365955 1040475300 /nfs/dbraw/zinc/47/53/00/1040475300.db2.gz WIDYVTUOGAFWAN-UHFFFAOYSA-N -1 1 317.360 3.981 20 0 DHADMM COc1ccccc1C[C@@H](C)CC(=O)Nc1c([O-])cccc1F ZINC000608365367 1040475381 /nfs/dbraw/zinc/47/53/81/1040475381.db2.gz DSOQIBMPIHMURG-GFCCVEGCSA-N -1 1 317.360 3.747 20 0 DHADMM CC[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)C1CCCC1 ZINC000456706602 1040896449 /nfs/dbraw/zinc/89/64/49/1040896449.db2.gz URWFMRXEAFTZSX-CYBMUJFWSA-N -1 1 311.809 3.753 20 0 DHADMM CC(C)(C)c1nc(C(=O)Nc2ccc([O-])c(F)c2F)cs1 ZINC000456780290 1040918044 /nfs/dbraw/zinc/91/80/44/1040918044.db2.gz BOWHSFDDHRFYTM-UHFFFAOYSA-N -1 1 312.341 3.677 20 0 DHADMM C[C@@]1(C(=O)Nc2ccc([O-])c(F)c2F)CCc2ccccc2C1 ZINC000456788648 1040919348 /nfs/dbraw/zinc/91/93/48/1040919348.db2.gz RYZLIYRPVDHHCW-GOSISDBHSA-N -1 1 317.335 3.804 20 0 DHADMM O=C(NCCCc1ccccc1)c1cc2ccccc2cc1[O-] ZINC000082150472 192362641 /nfs/dbraw/zinc/36/26/41/192362641.db2.gz VUYSCJFFPKEMCX-UHFFFAOYSA-N -1 1 305.377 3.908 20 0 DHADMM O=C(NCCCc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000073197276 191291683 /nfs/dbraw/zinc/29/16/83/191291683.db2.gz ZXFVFSKTBIZUPP-UHFFFAOYSA-N -1 1 305.377 3.908 20 0 DHADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000006316100 181329164 /nfs/dbraw/zinc/32/91/64/181329164.db2.gz ZAWRJJOCPFEAOJ-UHFFFAOYSA-N -1 1 323.801 3.652 20 0 DHADMM C[C@@H](c1ccc(Cl)cc1Cl)N1CCC[C@H](C(=O)[O-])C1 ZINC000006409184 181339178 /nfs/dbraw/zinc/33/91/78/181339178.db2.gz BAFKZJCXTJKOEE-UWVGGRQHSA-N -1 1 302.201 3.851 20 0 DHADMM COc1ccc([C@@H](CCC(=O)[O-])NCc2ccc(Cl)o2)cc1 ZINC000417574380 334994391 /nfs/dbraw/zinc/99/43/91/334994391.db2.gz IHWKEVHWRRLCMJ-CQSZACIVSA-N -1 1 323.776 3.637 20 0 DHADMM Cc1cc(C)c(C(=O)[C@@H](C)Sc2ncc(C)c(=O)[n-]2)cc1C ZINC000563820791 335029277 /nfs/dbraw/zinc/02/92/77/335029277.db2.gz BJUASLVDDCINLN-CYBMUJFWSA-N -1 1 316.426 3.779 20 0 DHADMM COc1cc(C(=O)N2CCC[C@@H]2CC(C)C)cc(Cl)c1[O-] ZINC000442937190 338439884 /nfs/dbraw/zinc/43/98/84/338439884.db2.gz BLPJLNCSYPTCKN-GFCCVEGCSA-N -1 1 311.809 3.705 20 0 DHADMM O=C(CCCSc1nc(C(F)F)cc(=O)[n-]1)c1ccccc1 ZINC000289577403 131397203 /nfs/dbraw/zinc/39/72/03/131397203.db2.gz QYTWZHSUYOYDSF-UHFFFAOYSA-N -1 1 324.352 3.875 20 0 DHADMM CC1(C)CN(C(=O)c2cc(F)ccc2[O-])CC[C@@H]1C(F)(F)F ZINC000190748968 335088195 /nfs/dbraw/zinc/08/81/95/335088195.db2.gz OXBQRAXCHWEVTR-LBPRGKRZSA-N -1 1 319.298 3.582 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1occc1Br ZINC000175525694 332894058 /nfs/dbraw/zinc/89/40/58/332894058.db2.gz RNIRMKWYTAWUFP-UHFFFAOYSA-N -1 1 316.538 3.653 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1cc(-c2ccccc2)ns1 ZINC000533513474 331563081 /nfs/dbraw/zinc/56/30/81/331563081.db2.gz HKPBVRQCOQJKFA-UHFFFAOYSA-N -1 1 314.341 3.907 20 0 DHADMM Cc1ncc(NC(=O)c2cc3ccccc3cc2[O-])c(C2CC2)n1 ZINC000559257302 332008075 /nfs/dbraw/zinc/00/80/75/332008075.db2.gz RVXCBCDBHMLEQB-UHFFFAOYSA-N -1 1 319.364 3.774 20 0 DHADMM CC(C)Cn1nccc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000569361614 332050697 /nfs/dbraw/zinc/05/06/97/332050697.db2.gz ITSXSFZOXIMILT-UHFFFAOYSA-N -1 1 318.764 3.615 20 0 DHADMM O=C(NCCC1=CCCCC1)c1ccc(Br)c([O-])c1 ZINC000132815392 332133876 /nfs/dbraw/zinc/13/38/76/332133876.db2.gz UKJXLBGSMVMRNU-UHFFFAOYSA-N -1 1 324.218 3.775 20 0 DHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2ccc(F)c(Cl)c2)o1 ZINC000426807849 332151789 /nfs/dbraw/zinc/15/17/89/332151789.db2.gz JIKQSIZKYXOSEN-ZDUSSCGKSA-N -1 1 311.740 3.686 20 0 DHADMM COc1ccccc1CN[C@H](C(=O)[O-])c1ccc(Cl)c(C)c1 ZINC000426778921 332152332 /nfs/dbraw/zinc/15/23/32/332152332.db2.gz BTTOXGPQJUDZLH-INIZCTEOSA-N -1 1 319.788 3.573 20 0 DHADMM O=C([O-])[C@H](CCCc1ccccc1)NCc1cc2ccccc2o1 ZINC000426830467 332156365 /nfs/dbraw/zinc/15/63/65/332156365.db2.gz YHADEQMGVAVFPQ-SFHVURJKSA-N -1 1 323.392 3.999 20 0 DHADMM O=C([O-])[C@H](NCc1cc(F)cc(Cl)c1)c1cccc(F)c1 ZINC000426813839 332157128 /nfs/dbraw/zinc/15/71/28/332157128.db2.gz ZZDWARLLSJEDIE-CQSZACIVSA-N -1 1 311.715 3.534 20 0 DHADMM CCc1ccc([C@H](NCc2ccccc2Cl)C(=O)[O-])cc1 ZINC000426816270 332157351 /nfs/dbraw/zinc/15/73/51/332157351.db2.gz JTSFBMMFBSLBMY-INIZCTEOSA-N -1 1 303.789 3.818 20 0 DHADMM O=C(Nc1ccc(-c2nccs2)cc1)c1ccc([O-])cc1F ZINC000181097501 333029425 /nfs/dbraw/zinc/02/94/25/333029425.db2.gz JREVDHASEMOMFE-UHFFFAOYSA-N -1 1 314.341 3.907 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H]1CCc1ccccc1 ZINC000181162614 333029563 /nfs/dbraw/zinc/02/95/63/333029563.db2.gz GHJOHXRRQYRDIR-OAHLLOKOSA-N -1 1 313.372 3.769 20 0 DHADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)COC2 ZINC000189052837 333061468 /nfs/dbraw/zinc/06/14/68/333061468.db2.gz DZQWIQVRBPCZLZ-UHFFFAOYSA-N -1 1 317.410 3.641 20 0 DHADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000460423337 333083496 /nfs/dbraw/zinc/08/34/96/333083496.db2.gz HWHDUGWQUGCKOJ-UHFFFAOYSA-N -1 1 311.353 3.691 20 0 DHADMM CCCn1ccc2ccc([N-]S(=O)(=O)c3ccccc3)cc21 ZINC000460831871 333146451 /nfs/dbraw/zinc/14/64/51/333146451.db2.gz XDFLNZIRKZICFN-UHFFFAOYSA-N -1 1 314.410 3.852 20 0 DHADMM CCc1ccc(CC)c(NC(=O)c2n[nH]c3c2cccc3OC)c1 ZINC000582089660 333208811 /nfs/dbraw/zinc/20/88/11/333208811.db2.gz PTCPJVATRCUCPE-UHFFFAOYSA-N -1 1 323.396 3.949 20 0 DHADMM CS[C@@H]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2[O-])C1 ZINC000390266695 333255634 /nfs/dbraw/zinc/25/56/34/333255634.db2.gz XEEPWWGOLSQHAG-ZIAGYGMSSA-N -1 1 315.438 3.949 20 0 DHADMM CCCOc1ccc(CCC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000533970891 333552393 /nfs/dbraw/zinc/55/23/93/333552393.db2.gz YOUPPSZLEWZFJI-UHFFFAOYSA-N -1 1 317.360 3.891 20 0 DHADMM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1ccc(F)cc1[O-] ZINC000531756424 333552499 /nfs/dbraw/zinc/55/24/99/333552499.db2.gz GVJSBKRWINHAAI-NSHDSACASA-N -1 1 305.324 3.878 20 0 DHADMM C[C@H]1CC(C)(C)CN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000412780384 333798306 /nfs/dbraw/zinc/79/83/06/333798306.db2.gz LEDHWKAIFMRXMD-VIFPVBQESA-N -1 1 301.308 3.672 20 0 DHADMM CC[C@H]1C[C@@H](c2nc(-c3ccc([O-])cc3Cl)no2)CCO1 ZINC000278272130 334094080 /nfs/dbraw/zinc/09/40/80/334094080.db2.gz VSDMPBOTTFKIQA-ONGXEEELSA-N -1 1 308.765 3.768 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000340329071 334170339 /nfs/dbraw/zinc/17/03/39/334170339.db2.gz JDVXDCOBOCQERV-UWVGGRQHSA-N -1 1 307.271 3.552 20 0 DHADMM [O-]c1cccc(CNc2ccccc2O[C@H]2CCOC2)c1Cl ZINC000293671924 334200627 /nfs/dbraw/zinc/20/06/27/334200627.db2.gz UWDADYDBQILCAC-ZDUSSCGKSA-N -1 1 319.788 3.825 20 0 DHADMM CC[C@@H]1CCCCCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442976980 338440851 /nfs/dbraw/zinc/44/08/51/338440851.db2.gz NKNVGEOFCMABCQ-GFCCVEGCSA-N -1 1 311.809 3.849 20 0 DHADMM O=C(CCc1cc(F)ccc1F)Nc1ccc([O-])c(Cl)c1 ZINC000111667575 334352974 /nfs/dbraw/zinc/35/29/74/334352974.db2.gz HNRMEMVDGYRSPW-UHFFFAOYSA-N -1 1 311.715 3.895 20 0 DHADMM CCc1cc(=O)[n-]c(SCc2cc(Cl)ccc2Cl)n1 ZINC000111895666 334360468 /nfs/dbraw/zinc/36/04/68/334360468.db2.gz DWQDBUZXKKXBCJ-UHFFFAOYSA-N -1 1 315.225 3.931 20 0 DHADMM CCc1cccc2c(CC(=O)Nc3ccc(F)cc3[O-])c[nH]c21 ZINC000532012438 334371578 /nfs/dbraw/zinc/37/15/78/334371578.db2.gz BGDVHHQKHXURKN-UHFFFAOYSA-N -1 1 312.344 3.756 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C)nc2C)cc1CC ZINC000535232033 334381137 /nfs/dbraw/zinc/38/11/37/334381137.db2.gz AALNMLFJFVXQPA-UHFFFAOYSA-N -1 1 318.442 3.624 20 0 DHADMM CCOC(=O)c1cnc(C(C)=Cc2ccc3occc3c2)[n-]c1=O ZINC000349112698 335631982 /nfs/dbraw/zinc/63/19/82/335631982.db2.gz PFIVJOZROOSJGS-DHZHZOJOSA-N -1 1 324.336 3.666 20 0 DHADMM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000093930556 335689461 /nfs/dbraw/zinc/68/94/61/335689461.db2.gz RVFLIWJVZRQMMV-VIFPVBQESA-N -1 1 309.287 3.643 20 0 DHADMM CCc1ccc(OCc2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445470013 338495735 /nfs/dbraw/zinc/49/57/35/338495735.db2.gz CWWKNPHZRFODOB-UHFFFAOYSA-N -1 1 314.316 3.723 20 0 DHADMM [O-]c1ccc(-c2noc([C@H](F)Cc3ccccc3)n2)c(F)c1 ZINC000445465485 338495593 /nfs/dbraw/zinc/49/55/93/338495593.db2.gz YTIQEYPHGMAOLZ-CQSZACIVSA-N -1 1 302.280 3.835 20 0 DHADMM C[C@@H](OCc1ccccc1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445482586 338496417 /nfs/dbraw/zinc/49/64/17/338496417.db2.gz QVHQYRZZRLRIBH-LLVKDONJSA-N -1 1 314.316 3.859 20 0 DHADMM COc1ccc(-c2nc(C(C)(C)Cc3ccccc3)no2)c([O-])c1 ZINC000445773575 338508273 /nfs/dbraw/zinc/50/82/73/338508273.db2.gz DCUHSDBSMAHLHV-UHFFFAOYSA-N -1 1 324.380 3.971 20 0 DHADMM O=C(N[C@H]1CCc2ccc(F)cc21)c1ccc(Cl)cc1[O-] ZINC000520738619 336077780 /nfs/dbraw/zinc/07/77/80/336077780.db2.gz UQINNGKXZWEBLR-AWEZNQCLSA-N -1 1 305.736 3.602 20 0 DHADMM C[C@@H]1C[C@H](c2nc(-c3ccc([O-])cc3Cl)no2)CCC1=O ZINC000331636913 336142813 /nfs/dbraw/zinc/14/28/13/336142813.db2.gz IVKBXZSMQXPERF-RKDXNWHRSA-N -1 1 306.749 3.568 20 0 DHADMM O=C([O-])C[C@@H]1CCCN(Cc2csc(-c3cccs3)n2)C1 ZINC000532712302 336268045 /nfs/dbraw/zinc/26/80/45/336268045.db2.gz WOZASPDXVJJCCO-NSHDSACASA-N -1 1 322.455 3.558 20 0 DHADMM Cc1cc2cc([N-]S(=O)(=O)c3ccc(F)c(C)c3)ccc2[nH]1 ZINC000303283241 336383749 /nfs/dbraw/zinc/38/37/49/336383749.db2.gz MQCBLLJKYKWHKK-UHFFFAOYSA-N -1 1 318.373 3.725 20 0 DHADMM C[C@H]1CCC[C@@H](CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)C1 ZINC000355990938 336531286 /nfs/dbraw/zinc/53/12/86/336531286.db2.gz PCGBYSWREHQFRY-QWHCGFSZSA-N -1 1 313.401 3.937 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc2c(n1)CCCC2 ZINC000357393404 336583690 /nfs/dbraw/zinc/58/36/90/336583690.db2.gz PDAJYOFFDYHSGI-UHFFFAOYSA-N -1 1 302.761 3.572 20 0 DHADMM CCOc1cc(C(=O)N2CCC[C@@H](CC)C2)cc(Cl)c1[O-] ZINC000358115438 336612152 /nfs/dbraw/zinc/61/21/52/336612152.db2.gz CDLHZCKNISDGCZ-LLVKDONJSA-N -1 1 311.809 3.707 20 0 DHADMM Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1cncc([O-])c1 ZINC000375026600 337001856 /nfs/dbraw/zinc/00/18/56/337001856.db2.gz CCNHPKIRGIBZCK-UHFFFAOYSA-N -1 1 323.327 3.549 20 0 DHADMM Cc1nc(-c2ccc(N3CCC4(CCC4)CC3)nc2)[n-]c(=O)c1C ZINC000376204419 337029465 /nfs/dbraw/zinc/02/94/65/337029465.db2.gz AYDNZNKIMVMRFY-UHFFFAOYSA-N -1 1 324.428 3.632 20 0 DHADMM [O-]c1ccc(-c2noc([C@@H]3OC[C@H]4CCC[C@H]34)n2)c(Cl)c1 ZINC000377781166 337060875 /nfs/dbraw/zinc/06/08/75/337060875.db2.gz MPUCHGIJUMTBNY-DFAYQTQMSA-N -1 1 306.749 3.583 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ncccc1C(F)(F)F ZINC000182870791 337190407 /nfs/dbraw/zinc/19/04/07/337190407.db2.gz VFWZCZUKOZAWKU-UHFFFAOYSA-N -1 1 316.666 3.712 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccnc(OC2CCC2)c1 ZINC000182874135 337190534 /nfs/dbraw/zinc/19/05/34/337190534.db2.gz YRMVTBQYTLCDSV-UHFFFAOYSA-N -1 1 318.760 3.624 20 0 DHADMM CCOc1cc(C(=O)N2C[C@@H]3CCCC[C@@H]3C2)cc(Cl)c1[O-] ZINC000186852849 337260683 /nfs/dbraw/zinc/26/06/83/337260683.db2.gz NLQBCYNXSUDGIS-TXEJJXNPSA-N -1 1 323.820 3.707 20 0 DHADMM Cc1ccc(-c2ccncc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000101850772 337386173 /nfs/dbraw/zinc/38/61/73/337386173.db2.gz OAHGTKOVVOYJTH-UHFFFAOYSA-N -1 1 324.405 3.858 20 0 DHADMM CC[C@H](C)n1nc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1C ZINC000445476801 337624616 /nfs/dbraw/zinc/62/46/16/337624616.db2.gz IJRKYHLANCMTPT-VIFPVBQESA-N -1 1 316.336 3.724 20 0 DHADMM CCCCc1noc([C@@H](C)Sc2nc(CC)c(C)c(=O)[n-]2)n1 ZINC000580466522 337679884 /nfs/dbraw/zinc/67/98/84/337679884.db2.gz DIBHIAOJQQXXRO-SNVBAGLBSA-N -1 1 322.434 3.632 20 0 DHADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000528166379 337791151 /nfs/dbraw/zinc/79/11/51/337791151.db2.gz DTOCQPVBYXCBMA-VXFNFUGZSA-N -1 1 308.765 3.623 20 0 DHADMM C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ncccc1[O-])C1CC1 ZINC000123229315 337960427 /nfs/dbraw/zinc/96/04/27/337960427.db2.gz UQUZZFJALGVXDL-NSHDSACASA-N -1 1 316.788 3.806 20 0 DHADMM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)c2cc(Cl)ccc2[O-])o1 ZINC000515967468 338001688 /nfs/dbraw/zinc/00/16/88/338001688.db2.gz ZNYGPXVXYKTCJC-SKDRFNHKSA-N -1 1 305.761 3.692 20 0 DHADMM C/C=C\c1ccc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)cc1 ZINC000516038498 338002873 /nfs/dbraw/zinc/00/28/73/338002873.db2.gz OFEZAALHQMYQIX-ARJAWSKDSA-N -1 1 321.373 3.668 20 0 DHADMM [O-]c1ccc(-c2noc(CCc3ccccc3)n2)c(Cl)c1 ZINC000445451014 338016197 /nfs/dbraw/zinc/01/61/97/338016197.db2.gz ZNSVTABSTSNDFZ-UHFFFAOYSA-N -1 1 300.745 3.881 20 0 DHADMM CC(C)c1nc(-c2nc(-c3ccc([O-])cc3F)no2)cs1 ZINC000445454267 338017086 /nfs/dbraw/zinc/01/70/86/338017086.db2.gz FBIQFKWIRBPURC-UHFFFAOYSA-N -1 1 305.334 3.828 20 0 DHADMM [O-]c1ccc(-c2noc(-c3coc(-c4ccccc4)n3)n2)c(F)c1 ZINC000445455158 338017329 /nfs/dbraw/zinc/01/73/29/338017329.db2.gz OEGGASBAUKWULH-UHFFFAOYSA-N -1 1 323.283 3.903 20 0 DHADMM Cc1cc(C(F)(F)F)ccc1CNCc1cc(C(=O)[O-])co1 ZINC000426700870 338038536 /nfs/dbraw/zinc/03/85/36/338038536.db2.gz VQLYEXKTNUDOKD-UHFFFAOYSA-N -1 1 313.275 3.595 20 0 DHADMM Cc1cc(C)c(CN[C@H](C(=O)[O-])c2c(F)cccc2F)cc1C ZINC000426735781 338039810 /nfs/dbraw/zinc/03/98/10/338039810.db2.gz VGBFEXNUBPMRBE-KRWDZBQOSA-N -1 1 319.351 3.806 20 0 DHADMM O=C([O-])[C@@H](NC/C=C/c1ccc(F)cc1)c1c(F)cccc1F ZINC000426733827 338039918 /nfs/dbraw/zinc/03/99/18/338039918.db2.gz OFPVNQZHQGCTCF-KZSQQDEKSA-N -1 1 321.298 3.533 20 0 DHADMM O=C([O-])[C@@H](NCc1cc(F)cc(F)c1)c1cccc(Cl)c1 ZINC000426737855 338040005 /nfs/dbraw/zinc/04/00/05/338040005.db2.gz QWASKHCNGGYWRD-AWEZNQCLSA-N -1 1 311.715 3.534 20 0 DHADMM Cc1c(Cl)cc(F)c([N-]C(=O)c2ncc(F)cc2F)c1F ZINC000428795504 338061199 /nfs/dbraw/zinc/06/11/99/338061199.db2.gz RRXPAWMMDGWLQT-UHFFFAOYSA-N -1 1 318.657 3.852 20 0 DHADMM CC(C)c1nc(=NCC[C@H](c2ccccc2)C(F)(F)F)o[n-]1 ZINC000432136588 338146772 /nfs/dbraw/zinc/14/67/72/338146772.db2.gz BFAULNIIOFTHFQ-GFCCVEGCSA-N -1 1 313.323 3.763 20 0 DHADMM COC(=O)c1c[n-]c(SCc2c(C)ccc3ccccc32)n1 ZINC000432667174 338161999 /nfs/dbraw/zinc/16/19/99/338161999.db2.gz KXVGYINBAVOAIU-UHFFFAOYSA-N -1 1 312.394 3.950 20 0 DHADMM CCOC(=O)c1cnc(C(C)=Cc2coc3ccccc23)[n-]c1=O ZINC000432711114 338163768 /nfs/dbraw/zinc/16/37/68/338163768.db2.gz ZBXITCVVRFZTFC-FLIBITNWSA-N -1 1 324.336 3.666 20 0 DHADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2cccc(F)c2C)c1 ZINC000433618925 338198420 /nfs/dbraw/zinc/19/84/20/338198420.db2.gz UNJBHIWVIGYTMA-UHFFFAOYSA-N -1 1 321.373 3.528 20 0 DHADMM CCc1cccc(S(=O)(=O)[N-]c2ccccc2SC)c1 ZINC000433807735 338202568 /nfs/dbraw/zinc/20/25/68/338202568.db2.gz KFIXEDJSPGIIMK-UHFFFAOYSA-N -1 1 307.440 3.772 20 0 DHADMM CC(C)[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1cccnc1 ZINC000436148702 338259673 /nfs/dbraw/zinc/25/96/73/338259673.db2.gz PRSWTBYQXXVFLO-OAHLLOKOSA-N -1 1 304.777 3.819 20 0 DHADMM O=c1cc(C2CC2)nc(SCc2nccn2-c2ccccc2)[n-]1 ZINC000436259075 338263950 /nfs/dbraw/zinc/26/39/50/338263950.db2.gz JSQBJKCEUQFBQS-UHFFFAOYSA-N -1 1 324.409 3.538 20 0 DHADMM COc1ccc(NC(=O)c2ccccc2[O-])c(C(F)(F)F)c1 ZINC000436509349 338274553 /nfs/dbraw/zinc/27/45/53/338274553.db2.gz AZKNLKGEJRQZAL-UHFFFAOYSA-N -1 1 311.259 3.672 20 0 DHADMM O=C(Nc1nc(C(F)(F)F)c[nH]1)c1ccc2ccccc2c1[O-] ZINC000436518956 338274893 /nfs/dbraw/zinc/27/48/93/338274893.db2.gz UIGSYVVNPDIBJF-UHFFFAOYSA-N -1 1 321.258 3.540 20 0 DHADMM Cc1cn2cc(NC(=O)c3ccc4ccccc4c3[O-])ccc2n1 ZINC000436535077 338275714 /nfs/dbraw/zinc/27/57/14/338275714.db2.gz MVQRCCXZXRAXRK-UHFFFAOYSA-N -1 1 317.348 3.754 20 0 DHADMM C[C@H]1c2ccccc2CCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000436558348 338276994 /nfs/dbraw/zinc/27/69/94/338276994.db2.gz UUXCIFJAFONYBW-NSHDSACASA-N -1 1 301.773 3.805 20 0 DHADMM COc1ccc(-c2nc(Cc3cc4ccccc4o3)no2)c([O-])c1 ZINC000436571279 338277689 /nfs/dbraw/zinc/27/76/89/338277689.db2.gz ATOOYVIGYZJLKQ-UHFFFAOYSA-N -1 1 322.320 3.788 20 0 DHADMM COc1ccc(C(=O)Nc2cccc(-c3nc(C)co3)c2)c([O-])c1 ZINC000436588270 338278734 /nfs/dbraw/zinc/27/87/34/338278734.db2.gz ZUQFZWYJFLNKNM-UHFFFAOYSA-N -1 1 324.336 3.617 20 0 DHADMM CCc1c(NC(=O)c2ccccc2[O-])cnn1C(CC)CC ZINC000436594930 338279133 /nfs/dbraw/zinc/27/91/33/338279133.db2.gz KJEAPGWTJLJDSR-UHFFFAOYSA-N -1 1 301.390 3.765 20 0 DHADMM C[C@H](Cc1cccc(O)c1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000436608700 338279836 /nfs/dbraw/zinc/27/98/36/338279836.db2.gz VJBKJNCZLZZZPJ-CYBMUJFWSA-N -1 1 321.376 3.612 20 0 DHADMM O=C(NCc1ccc2c(c1)COC2)c1cc2ccccc2cc1[O-] ZINC000436609203 338279866 /nfs/dbraw/zinc/27/98/66/338279866.db2.gz VSQCNFNPPSBBAF-UHFFFAOYSA-N -1 1 319.360 3.506 20 0 DHADMM CC(C)Cn1ncc(NC(=O)c2cc(F)ccc2[O-])c1C(C)C ZINC000436618602 338280254 /nfs/dbraw/zinc/28/02/54/338280254.db2.gz OCRULKCRMVMGJU-UHFFFAOYSA-N -1 1 319.380 3.760 20 0 DHADMM C[C@H]1CC[C@H](c2ccccc2)N(C(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000436656399 338281776 /nfs/dbraw/zinc/28/17/76/338281776.db2.gz IPAISFKTHWLLKU-KBXCAEBGSA-N -1 1 323.392 3.575 20 0 DHADMM C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000436656403 338281913 /nfs/dbraw/zinc/28/19/13/338281913.db2.gz IPAISFKTHWLLKU-KSSFIOAISA-N -1 1 323.392 3.575 20 0 DHADMM C[C@@H]1CCN(C(=O)c2cc(F)ccc2[O-])CC12CCCCC2 ZINC000436660339 338282012 /nfs/dbraw/zinc/28/20/12/338282012.db2.gz CASVSFNQRHOJLG-CYBMUJFWSA-N -1 1 305.393 3.964 20 0 DHADMM CN(Cc1c(F)cccc1F)C(=O)c1ccc(Cl)cc1[O-] ZINC000436668817 338282144 /nfs/dbraw/zinc/28/21/44/338282144.db2.gz YGYJRIRWUUQOSR-UHFFFAOYSA-N -1 1 311.715 3.596 20 0 DHADMM C[C@@H](Cc1ccccc1F)NC(=O)c1ccc(Cl)cc1[O-] ZINC000436672571 338282327 /nfs/dbraw/zinc/28/23/27/338282327.db2.gz MIOFFIQLZDYZOZ-JTQLQIEISA-N -1 1 307.752 3.546 20 0 DHADMM Cc1cc2[nH]ncc2cc1NC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000436676248 338282479 /nfs/dbraw/zinc/28/24/79/338282479.db2.gz YPFXGDRJSUBMOS-UHFFFAOYSA-N -1 1 319.723 3.622 20 0 DHADMM C[C@H](Oc1ccccc1)c1noc(-c2ccc([O-])cc2F)n1 ZINC000436685766 338282868 /nfs/dbraw/zinc/28/28/68/338282868.db2.gz CHOLBAMJZNFGPH-JTQLQIEISA-N -1 1 300.289 3.721 20 0 DHADMM CCOc1ccc(-c2noc(-c3cc(F)ccc3[O-])n2)cc1F ZINC000436686858 338282880 /nfs/dbraw/zinc/28/28/80/338282880.db2.gz JFIDJRVKCYAFBA-UHFFFAOYSA-N -1 1 318.279 3.786 20 0 DHADMM Cc1cccc2[nH]cc(Cc3noc(-c4ccc([O-])cc4F)n3)c21 ZINC000436690777 338282936 /nfs/dbraw/zinc/28/29/36/338282936.db2.gz QYMHUPYWUUPTPB-UHFFFAOYSA-N -1 1 323.327 3.962 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCc2cc(F)ccc2C1 ZINC000436701024 338283300 /nfs/dbraw/zinc/28/33/00/338283300.db2.gz YOCBJFWSICKNOS-UHFFFAOYSA-N -1 1 321.351 3.883 20 0 DHADMM CCCCN(C(=O)C(=O)c1ccc([O-])cc1)[C@@H]1CCC[C@@H](C)C1 ZINC000436708467 338283529 /nfs/dbraw/zinc/28/35/29/338283529.db2.gz VCONYSKAYZBDDS-GDBMZVCRSA-N -1 1 317.429 3.782 20 0 DHADMM Cc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3O)[nH]n2)c(C)c1 ZINC000436729870 338284460 /nfs/dbraw/zinc/28/44/60/338284460.db2.gz IGRZPQOIDNKBTJ-UHFFFAOYSA-N -1 1 321.380 3.960 20 0 DHADMM CCSCC[C@@H](C)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000436728147 338284511 /nfs/dbraw/zinc/28/45/11/338284511.db2.gz IIRCWLLMGQSJMI-SNVBAGLBSA-N -1 1 301.839 3.649 20 0 DHADMM O=C(N[C@H]1CCC[C@H](c2ccccc2)C1)c1ccc([O-])cc1F ZINC000436732371 338284611 /nfs/dbraw/zinc/28/46/11/338284611.db2.gz CWKAHEAMCLJUME-GJZGRUSLSA-N -1 1 313.372 3.988 20 0 DHADMM COC(=O)c1ccc(C(C)C)c(NC(=O)c2ccccc2[O-])c1 ZINC000436747807 338285212 /nfs/dbraw/zinc/28/52/12/338285212.db2.gz OFWWFQOBNXOQMH-UHFFFAOYSA-N -1 1 313.353 3.555 20 0 DHADMM CC(C)C[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000436751911 338285317 /nfs/dbraw/zinc/28/53/17/338285317.db2.gz OLHRXZNSBJWGBM-LLVKDONJSA-N -1 1 315.335 3.919 20 0 DHADMM Cn1cccc1[C@@H]1CCCCCN1C(=O)c1cc(F)ccc1[O-] ZINC000436756577 338285735 /nfs/dbraw/zinc/28/57/35/338285735.db2.gz RQMQLCVRKDJITJ-INIZCTEOSA-N -1 1 316.376 3.627 20 0 DHADMM COc1cc(C)c(NC(=O)c2ccc([O-])cc2F)c(C)c1C ZINC000436781983 338287055 /nfs/dbraw/zinc/28/70/55/338287055.db2.gz WNSOHWHMFBJKLG-UHFFFAOYSA-N -1 1 303.333 3.717 20 0 DHADMM COc1cc(Cl)c(NC(=O)c2cc(F)ccc2[O-])cc1C ZINC000436779641 338287096 /nfs/dbraw/zinc/28/70/96/338287096.db2.gz LMCHWUAPCXTZNT-UHFFFAOYSA-N -1 1 309.724 3.754 20 0 DHADMM C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)c1cc(F)ccc1[O-] ZINC000436783555 338287098 /nfs/dbraw/zinc/28/70/98/338287098.db2.gz MQUIDYBACVTEMY-DZGCQCFKSA-N -1 1 313.372 3.940 20 0 DHADMM CCCCN(C(=O)C(=O)c1ccc([O-])cc1)C1CCCCC1 ZINC000436796511 338287822 /nfs/dbraw/zinc/28/78/22/338287822.db2.gz BLTLKEFTTBJMLO-UHFFFAOYSA-N -1 1 303.402 3.536 20 0 DHADMM C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000436827434 338288857 /nfs/dbraw/zinc/28/88/57/338288857.db2.gz NUUGRLSTAWLSHV-IINYFYTJSA-N -1 1 323.314 3.958 20 0 DHADMM Cc1sc(CNC(=O)c2cc(Cl)ccc2[O-])nc1C(C)C ZINC000436840414 338289499 /nfs/dbraw/zinc/28/94/99/338289499.db2.gz QQWYURLHWCYEMR-UHFFFAOYSA-N -1 1 324.833 3.864 20 0 DHADMM CN(C(=O)c1ccc(Br)cc1[O-])C1(C)CCCC1 ZINC000436842451 338289753 /nfs/dbraw/zinc/28/97/53/338289753.db2.gz XTSWFMQICOIVIP-UHFFFAOYSA-N -1 1 312.207 3.559 20 0 DHADMM Cc1cccc([C@H]2CCN(C(=O)c3ccc(Cl)cc3[O-])C2)c1 ZINC000436847804 338289822 /nfs/dbraw/zinc/28/98/22/338289822.db2.gz LTHGEOFMXWOMGD-AWEZNQCLSA-N -1 1 315.800 3.984 20 0 DHADMM O=C(N[C@H]1CSc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000436855051 338290040 /nfs/dbraw/zinc/29/00/40/338290040.db2.gz WCVNOKMEYMXAHD-LBPRGKRZSA-N -1 1 305.786 3.622 20 0 DHADMM O=C(c1ccc([O-])cc1F)N(Cc1ccc(F)cc1)CC1CC1 ZINC000436868927 338290661 /nfs/dbraw/zinc/29/06/61/338290661.db2.gz JMMMAPJGANDVCR-UHFFFAOYSA-N -1 1 317.335 3.723 20 0 DHADMM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1ccc([O-])cc1F ZINC000436871171 338290738 /nfs/dbraw/zinc/29/07/38/338290738.db2.gz PYSNQTXUWZXLPO-HNNXBMFYSA-N -1 1 317.360 3.876 20 0 DHADMM O=C(c1ccc([O-])cc1F)N(Cc1ccccc1)CC1CCC1 ZINC000436871936 338290893 /nfs/dbraw/zinc/29/08/93/338290893.db2.gz UZMNHYYEUHQSEP-UHFFFAOYSA-N -1 1 313.372 3.974 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1CCc2c(Cl)cccc2C1 ZINC000436888777 338291901 /nfs/dbraw/zinc/29/19/01/338291901.db2.gz UCGMXWQITNCOAT-UHFFFAOYSA-N -1 1 322.191 3.898 20 0 DHADMM CCN(C(=O)c1ccc(OC)cc1[O-])c1ccc2[nH]ccc2c1 ZINC000436887183 338292006 /nfs/dbraw/zinc/29/20/06/338292006.db2.gz PVXSZOYKRDUDOK-UHFFFAOYSA-N -1 1 310.353 3.549 20 0 DHADMM CC(C)CC[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)C(C)(C)C ZINC000436895672 338292392 /nfs/dbraw/zinc/29/23/92/338292392.db2.gz JWDBRLNUVKVFQK-OAHLLOKOSA-N -1 1 305.418 3.542 20 0 DHADMM Cc1cc(NC(=O)C(=O)c2ccc([O-])cc2)ccc1C(F)(F)F ZINC000436920890 338293507 /nfs/dbraw/zinc/29/35/07/338293507.db2.gz UHUMAZLMNMACLC-UHFFFAOYSA-N -1 1 323.270 3.541 20 0 DHADMM C[C@H](CNC(=O)c1cc(Cl)ccc1[O-])Cc1cccs1 ZINC000436925480 338293793 /nfs/dbraw/zinc/29/37/93/338293793.db2.gz GGQBDPJTEKASMU-JTQLQIEISA-N -1 1 309.818 3.716 20 0 DHADMM CC[C@@H](NC(=O)c1c([O-])cccc1F)c1ccc(F)cc1F ZINC000436951223 338295491 /nfs/dbraw/zinc/29/54/91/338295491.db2.gz XNJFVSQWNYCRIA-CYBMUJFWSA-N -1 1 309.287 3.691 20 0 DHADMM COc1ccc(-c2nc([C@@H](C)c3ccccc3C)no2)c([O-])c1 ZINC000436960267 338296156 /nfs/dbraw/zinc/29/61/56/338296156.db2.gz GLZNKUZXKYWTBL-LBPRGKRZSA-N -1 1 310.353 3.911 20 0 DHADMM O=C(C(=O)N1CCC[C@@H]1CCC1CCCC1)c1ccc([O-])cc1 ZINC000436967752 338296242 /nfs/dbraw/zinc/29/62/42/338296242.db2.gz YMHJSQTUNVSGKR-MRXNPFEDSA-N -1 1 315.413 3.536 20 0 DHADMM Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc(=O)[nH]c(C3CC3)n2)c1 ZINC000459299242 339020076 /nfs/dbraw/zinc/02/00/76/339020076.db2.gz JKBIGIFHWHQDML-KRWDZBQOSA-N -1 1 309.413 3.705 20 0 DHADMM Cc1ccc([C@H]2CCC[N@H+]2Cc2cc(=O)[nH]c(C3CC3)n2)s1 ZINC000459356360 339024155 /nfs/dbraw/zinc/02/41/55/339024155.db2.gz BLPYDUQEXXJADA-CQSZACIVSA-N -1 1 315.442 3.767 20 0 DHADMM CC[C@@H]1CCC[C@H]1Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000465053609 339167074 /nfs/dbraw/zinc/16/70/74/339167074.db2.gz UPRPENWZUNOMMQ-UKRRQHHQSA-N -1 1 312.417 3.852 20 0 DHADMM C[C@@H]1C[C@@H]1[C@H](NC(=O)c1cncc([O-])c1)c1ccc(Cl)cc1 ZINC000469716482 339296270 /nfs/dbraw/zinc/29/62/70/339296270.db2.gz SYNJAIOFJYERGW-HPEXNQPKSA-N -1 1 316.788 3.568 20 0 DHADMM CSc1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000476397050 339475959 /nfs/dbraw/zinc/47/59/59/339475959.db2.gz KSNJEGOYCOPHBV-UHFFFAOYSA-N -1 1 313.831 3.863 20 0 DHADMM CCc1ccnc(-c2nc3cc(C(F)(F)F)ccc3c(=O)[n-]2)c1 ZINC000479173574 339528605 /nfs/dbraw/zinc/52/86/05/339528605.db2.gz ZFHSCQGTKJZOAR-UHFFFAOYSA-N -1 1 319.286 3.979 20 0 DHADMM C[C@H](C(=O)[O-])N(Cc1c(Cl)cccc1Cl)C1CCC1 ZINC000516585662 340090786 /nfs/dbraw/zinc/09/07/86/340090786.db2.gz YOIDJDBJMXFQTN-SECBINFHSA-N -1 1 302.201 3.821 20 0 DHADMM CCSc1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000505279165 340165523 /nfs/dbraw/zinc/16/55/23/340165523.db2.gz CRZBPFKQUWMWHZ-UHFFFAOYSA-N -1 1 307.440 3.908 20 0 DHADMM CCSc1ccc(CC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000505618960 340173309 /nfs/dbraw/zinc/17/33/09/340173309.db2.gz BWENVJZRENPFMA-UHFFFAOYSA-N -1 1 305.374 3.825 20 0 DHADMM [O-]c1cccc(CN2CCO[C@H](c3ccc(F)cc3)C2)c1Cl ZINC000507298118 340216784 /nfs/dbraw/zinc/21/67/84/340216784.db2.gz IHQYUYXWXBDXEQ-INIZCTEOSA-N -1 1 321.779 3.758 20 0 DHADMM CCc1ccc([C@H]2COCCN2Cc2cccc([O-])c2Cl)o1 ZINC000508609763 340248001 /nfs/dbraw/zinc/24/80/01/340248001.db2.gz SFOOLFVGIWCNJK-CQSZACIVSA-N -1 1 321.804 3.775 20 0 DHADMM CO[C@H](C)c1nc(=NCCCCCc2ccc(F)cc2)s[n-]1 ZINC000509615238 340274812 /nfs/dbraw/zinc/27/48/12/340274812.db2.gz DQTXBUIRXWNHND-GFCCVEGCSA-N -1 1 323.437 3.631 20 0 DHADMM O=S(=O)([N-]c1ccc(F)cc1Cl)c1cccc(F)c1F ZINC000509624765 340274826 /nfs/dbraw/zinc/27/48/26/340274826.db2.gz YDYOOOVSZLVXIW-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM CCCCOc1cccc([N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000511258423 340324424 /nfs/dbraw/zinc/32/44/24/340324424.db2.gz MGZKHCDPQCWFJF-UHFFFAOYSA-N -1 1 319.426 3.975 20 0 DHADMM C[C@H](c1ccccc1)[C@@](C)(O)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000305813663 340389649 /nfs/dbraw/zinc/38/96/49/340389649.db2.gz KXIBTXBVKZPUPA-PIGZYNQJSA-N -1 1 319.788 3.539 20 0 DHADMM COc1cc(F)ccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000220143950 340514814 /nfs/dbraw/zinc/51/48/14/340514814.db2.gz AMDRKVYQSMUZIF-UHFFFAOYSA-N -1 1 311.312 3.945 20 0 DHADMM COc1cc(C(=O)NCC[C@H]2CC=CCC2)cc(Cl)c1[O-] ZINC000529869575 340772611 /nfs/dbraw/zinc/77/26/11/340772611.db2.gz IHPVZWMEZDVAEJ-NSHDSACASA-N -1 1 309.793 3.530 20 0 DHADMM COc1cc(NCc2cccc([O-])c2Cl)ccc1NC(C)=O ZINC000328324981 340778825 /nfs/dbraw/zinc/77/88/25/340778825.db2.gz HWWUTQMAQMTDQQ-UHFFFAOYSA-N -1 1 320.776 3.625 20 0 DHADMM CC(C)CCc1nc(CN2[C@H](C)CC(C(=O)[O-])C[C@H]2C)cs1 ZINC000530172815 340781513 /nfs/dbraw/zinc/78/15/13/340781513.db2.gz AVCALVJEYKBRPF-CHWSQXEVSA-N -1 1 324.490 3.805 20 0 DHADMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1nc(C(C)(C)C)cs1 ZINC000530178127 340781758 /nfs/dbraw/zinc/78/17/58/340781758.db2.gz YTCIMSBFJGUXGR-GHMZBOCLSA-N -1 1 310.463 3.514 20 0 DHADMM COc1cc(C(=O)Nc2ccc(F)cc2C)cc(Cl)c1[O-] ZINC000546593796 341173709 /nfs/dbraw/zinc/17/37/09/341173709.db2.gz XJHUNWVAAJMDHW-UHFFFAOYSA-N -1 1 309.724 3.754 20 0 DHADMM Cc1cc(-c2nc3ccc(F)cc3c(=O)[n-]2)nc2ccccc12 ZINC000547627367 341223949 /nfs/dbraw/zinc/22/39/49/341223949.db2.gz FDMCCFXGWRSHBV-UHFFFAOYSA-N -1 1 305.312 3.998 20 0 DHADMM Cc1ccc2nc(-c3ccc(Br)s3)[n-]c(=O)c2c1 ZINC000077491746 341225605 /nfs/dbraw/zinc/22/56/05/341225605.db2.gz ZHRJJYPFEUYYQT-UHFFFAOYSA-N -1 1 321.199 3.723 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H](c2ccccc2)CC1 ZINC000081958734 341311559 /nfs/dbraw/zinc/31/15/59/341311559.db2.gz ZUFJUTRAUIWBEJ-HNNXBMFYSA-N -1 1 313.372 3.941 20 0 DHADMM O=S(=O)([N-]Cc1ccc(Cl)cc1)c1cc2ccccc2o1 ZINC000084935546 341363809 /nfs/dbraw/zinc/36/38/09/341363809.db2.gz KQGRWPSAGDHTRW-UHFFFAOYSA-N -1 1 321.785 3.565 20 0 DHADMM CCOc1ccccc1CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000564391423 341391413 /nfs/dbraw/zinc/39/14/13/341391413.db2.gz BZUULPVLSVFVJG-UHFFFAOYSA-N -1 1 312.341 3.811 20 0 DHADMM O=C(c1cncc([O-])c1)N(CCc1ccccc1)c1ccccc1 ZINC000555811389 341490289 /nfs/dbraw/zinc/49/02/89/341490289.db2.gz ZJFNRTWTJPNZTN-UHFFFAOYSA-N -1 1 318.376 3.677 20 0 DHADMM O=C(Nc1ccc2nc(C3CC3)oc2c1)c1ccc([O-])cc1F ZINC000154974082 341599361 /nfs/dbraw/zinc/59/93/61/341599361.db2.gz WCGKUKTUYWQDPG-UHFFFAOYSA-N -1 1 312.300 3.802 20 0 DHADMM [O-]c1ccc(-c2noc([C@@H]3CC34CCSCC4)n2)c(F)c1 ZINC000568475881 341672558 /nfs/dbraw/zinc/67/25/58/341672558.db2.gz PNGZPZZXYZYCHF-NSHDSACASA-N -1 1 306.362 3.582 20 0 DHADMM CCOc1cc(C(=O)N[C@H]2CC[C@H](C)CC2)cc(Cl)c1[O-] ZINC000248909277 520668409 /nfs/dbraw/zinc/66/84/09/520668409.db2.gz ZXVOBQWDQDNEHK-UMSPYCQHSA-N -1 1 311.809 3.753 20 0 DHADMM CCCc1occc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000336887729 521609635 /nfs/dbraw/zinc/60/96/35/521609635.db2.gz DMGFHYKIZFCPNH-UHFFFAOYSA-N -1 1 311.341 3.580 20 0 DHADMM CC[C@H](SC)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182913042 522911605 /nfs/dbraw/zinc/91/16/05/522911605.db2.gz GTYWALNJNVGWOL-JTQLQIEISA-N -1 1 318.236 3.543 20 0 DHADMM Cc1ccc(CN(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])o1 ZINC000180329247 524380128 /nfs/dbraw/zinc/38/01/28/524380128.db2.gz LTSIXYULEVLWTA-UHFFFAOYSA-N -1 1 313.275 3.585 20 0 DHADMM Cc1cc(NC(=O)c2cncc([O-])c2)ccc1Oc1cccnc1 ZINC000111580011 525257918 /nfs/dbraw/zinc/25/79/18/525257918.db2.gz LUWWGTRRKSIZGQ-UHFFFAOYSA-N -1 1 321.336 3.535 20 0 DHADMM Cc1noc(C)c1[C@H](C)CNC(=O)c1cc2ccccc2cc1[O-] ZINC000162779259 526574726 /nfs/dbraw/zinc/57/47/26/526574726.db2.gz QRYJEWFIUMYACA-LLVKDONJSA-N -1 1 324.380 3.684 20 0 DHADMM O=C([O-])CCCCN1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000181565922 527581229 /nfs/dbraw/zinc/58/12/29/527581229.db2.gz RGSUADJCEJCROR-AWEZNQCLSA-N -1 1 313.850 3.685 20 0 DHADMM c1cc(-c2nn[n-]n2)sc1CNc1cccc2ccccc21 ZINC000823797219 607311293 /nfs/dbraw/zinc/31/12/93/607311293.db2.gz NECNKKLYHSOYTD-UHFFFAOYSA-N -1 1 307.382 3.694 20 0 DHADMM O=C([O-])c1ccc(CN[C@H](c2ccccc2)c2ccncc2)cc1 ZINC000391897610 598212286 /nfs/dbraw/zinc/21/22/86/598212286.db2.gz DJJHSROAYVEYIS-LJQANCHMSA-N -1 1 318.376 3.659 20 0 DHADMM O=C([O-])c1ccc(CN[C@H](c2ccccc2)c2cccnc2)cc1 ZINC000821545616 598214705 /nfs/dbraw/zinc/21/47/05/598214705.db2.gz JESBBYYQBGCFQF-LJQANCHMSA-N -1 1 318.376 3.659 20 0 DHADMM CC(C)c1ccc([C@H](C)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000735925234 599398885 /nfs/dbraw/zinc/39/88/85/599398885.db2.gz ZWARWPMOAGZYOU-LBPRGKRZSA-N -1 1 308.389 3.558 20 0 DHADMM CC(C)c1ccc([C@H](C)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000735925234 599398888 /nfs/dbraw/zinc/39/88/88/599398888.db2.gz ZWARWPMOAGZYOU-LBPRGKRZSA-N -1 1 308.389 3.558 20 0 DHADMM CCCC[C@H](Sc1nc2ccc(OCC)cc2[nH]1)C(=O)[O-] ZINC000132398291 599709448 /nfs/dbraw/zinc/70/94/48/599709448.db2.gz VTARHPDELGPILT-ZDUSSCGKSA-N -1 1 308.403 3.697 20 0 DHADMM COc1ccccc1[C@H]1CCCN1Cc1cc(C)c(C(=O)[O-])o1 ZINC000563726019 599773598 /nfs/dbraw/zinc/77/35/98/599773598.db2.gz WXHDQEFDEHPNNI-OAHLLOKOSA-N -1 1 315.369 3.632 20 0 DHADMM Cc1oc(CN(C)Cc2ccc(OC(C)C)cc2)cc1C(=O)[O-] ZINC000738966392 599887172 /nfs/dbraw/zinc/88/71/72/599887172.db2.gz CAYACHMOAYPPGC-UHFFFAOYSA-N -1 1 317.385 3.705 20 0 DHADMM Cc1ccc([C@@H]2CSCCN2Cc2ccoc2C(=O)[O-])cc1 ZINC000576405016 600217814 /nfs/dbraw/zinc/21/78/14/600217814.db2.gz ABQNPFCJYJTJCI-HNNXBMFYSA-N -1 1 317.410 3.576 20 0 DHADMM CC(C)(C)c1csc([C@@H]2CCCCN2CCCC(=O)[O-])n1 ZINC000363126348 600227524 /nfs/dbraw/zinc/22/75/24/600227524.db2.gz GPXCZUWMJROJIV-LBPRGKRZSA-N -1 1 310.463 3.832 20 0 DHADMM COc1ccc(C)cc1[C@H](C)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737975412 600419469 /nfs/dbraw/zinc/41/94/69/600419469.db2.gz HPWNBJUAMRPCGO-YVEFUNNKSA-N -1 1 317.360 3.619 20 0 DHADMM Cc1oc(CN(C)CCSc2ccccc2)cc1C(=O)[O-] ZINC000565106736 600457963 /nfs/dbraw/zinc/45/79/63/600457963.db2.gz UTNKDXOFTITDBG-UHFFFAOYSA-N -1 1 305.399 3.510 20 0 DHADMM CCCN(CC)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000579722045 600820705 /nfs/dbraw/zinc/82/07/05/600820705.db2.gz FXNKCPCEKWJRNA-UHFFFAOYSA-N -1 1 304.415 3.740 20 0 DHADMM CCCC[C@H](Sc1nc(C=Cc2ccccc2)n[nH]1)C(=O)[O-] ZINC000829296683 600836109 /nfs/dbraw/zinc/83/61/09/600836109.db2.gz XCOPHQRXGPHOOO-NHAQELONSA-N -1 1 317.414 3.711 20 0 DHADMM C[C@H]1C[C@@H](c2ccccc2F)N(Cc2ccc(C(=O)[O-])o2)C1 ZINC000582425578 600839827 /nfs/dbraw/zinc/83/98/27/600839827.db2.gz DOXZMBGIRBRNTB-NHYWBVRUSA-N -1 1 303.333 3.700 20 0 DHADMM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCOC2(CCCCC2)C1 ZINC000833173181 601019730 /nfs/dbraw/zinc/01/97/30/601019730.db2.gz NVZAJNHSBIVBQP-OAHLLOKOSA-N -1 1 323.820 3.501 20 0 DHADMM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1F ZINC000736663205 601511376 /nfs/dbraw/zinc/51/13/76/601511376.db2.gz WURFBNXQSSNTED-RFAUZJTJSA-N -1 1 309.287 3.580 20 0 DHADMM O=C([O-])c1ccc(CN(Cc2cccs2)C2CC2)cc1F ZINC000236474773 601617191 /nfs/dbraw/zinc/61/71/91/601617191.db2.gz VPOJHZKICQZHGU-UHFFFAOYSA-N -1 1 305.374 3.750 20 0 DHADMM Cc1sc(C(=O)[O-])cc1CN1CCC(C(F)(F)F)CC1 ZINC000122769627 601646311 /nfs/dbraw/zinc/64/63/11/601646311.db2.gz DQAVLVGDSPMLCW-UHFFFAOYSA-N -1 1 307.337 3.529 20 0 DHADMM O=C([O-])c1sccc1CN(Cc1cccc(F)c1)C1CC1 ZINC000569109068 601808383 /nfs/dbraw/zinc/80/83/83/601808383.db2.gz TUVAWQRZWAOMPB-UHFFFAOYSA-N -1 1 305.374 3.750 20 0 DHADMM CC(C)c1ccc([C@@H](CNCc2ccco2)NC(=O)[O-])cc1 ZINC000738882520 602335313 /nfs/dbraw/zinc/33/53/13/602335313.db2.gz KVAUCDLGCLEBKF-MRXNPFEDSA-N -1 1 302.374 3.502 20 0 DHADMM O=C([O-])N1CCc2cccc(CNCc3coc4ccccc34)c21 ZINC000832087404 603863608 /nfs/dbraw/zinc/86/36/08/603863608.db2.gz SIBVIIXEOIUHBR-UHFFFAOYSA-N -1 1 322.364 3.763 20 0 DHADMM Cc1cccc([C@@H]2CCCN2Cc2ccc(C(=O)[O-])c(F)c2)n1 ZINC000832967512 604367855 /nfs/dbraw/zinc/36/78/55/604367855.db2.gz GIAYXABBZHBOGW-KRWDZBQOSA-N -1 1 314.360 3.564 20 0 DHADMM C[C@H](c1cc(F)ccc1F)N(C)Cc1ccccc1C(=O)[O-] ZINC000833546201 604532758 /nfs/dbraw/zinc/53/27/58/604532758.db2.gz CUOZQIJINHNGIR-LLVKDONJSA-N -1 1 305.324 3.856 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN[C@H](C)c1ccc(OC)c(F)c1 ZINC000833680265 605065315 /nfs/dbraw/zinc/06/53/15/605065315.db2.gz HGYMHCWCKIFZQK-SNVBAGLBSA-N -1 1 321.348 3.539 20 0 DHADMM CC(C)(C(=O)[O-])[C@@H](NC/C(Cl)=C\Cl)c1ccccc1 ZINC000833413454 605177827 /nfs/dbraw/zinc/17/78/27/605177827.db2.gz NBOMBBDJTCRZRY-OBIHZWKSSA-N -1 1 302.201 3.747 20 0 DHADMM CC1(C)CCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC000833560236 605208894 /nfs/dbraw/zinc/20/88/94/605208894.db2.gz JBXRGGYLVXOKEI-UHFFFAOYSA-N -1 1 314.385 3.662 20 0 DHADMM C[C@H]1CN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)CC[C@@H]1C ZINC000576113944 605216582 /nfs/dbraw/zinc/21/65/82/605216582.db2.gz DJXWJYLWRXFFCW-STQMWFEESA-N -1 1 314.385 3.518 20 0 DHADMM CCc1cnccc1[C@H](C)N[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000833674241 605271164 /nfs/dbraw/zinc/27/11/64/605271164.db2.gz PHVPRYYEDVZXMS-RYUDHWBXSA-N -1 1 302.374 3.655 20 0 DHADMM C[C@@H](c1nc2ccccc2o1)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000833551686 605359965 /nfs/dbraw/zinc/35/99/65/605359965.db2.gz UOGSTJBMNKOVNJ-LBPRGKRZSA-N -1 1 310.353 3.719 20 0 DHADMM CCOc1ccc([C@H](C)NCc2cc(C(=O)[O-])ccc2F)cc1 ZINC000833663384 605844378 /nfs/dbraw/zinc/84/43/78/605844378.db2.gz HXMLZGIAAHXNPA-LBPRGKRZSA-N -1 1 317.360 3.773 20 0 DHADMM Cc1ccc(NC(=O)[O-])cc1NC(=O)c1ccc(O)c(Cl)c1 ZINC000833905997 606013182 /nfs/dbraw/zinc/01/31/82/606013182.db2.gz GHNBIEVCPSTGDK-UHFFFAOYSA-N -1 1 320.732 3.696 20 0 DHADMM CC[C@H](C)CNc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000820868889 606984227 /nfs/dbraw/zinc/98/42/27/606984227.db2.gz BWVAWTJTWNKCFC-LBPRGKRZSA-N -1 1 324.388 3.512 20 0 DHADMM C[C@H]1CN(Cc2cc(Cl)ccc2Cl)CC[C@H]1C(=O)[O-] ZINC000302559253 950569586 /nfs/dbraw/zinc/56/95/86/950569586.db2.gz XTDFWZWEFORHED-JOYOIKCWSA-N -1 1 302.201 3.536 20 0 DHADMM O=C([O-])CN(Cc1ccc(-c2ccc(F)cc2)o1)C1CCC1 ZINC000656100456 954297552 /nfs/dbraw/zinc/29/75/52/954297552.db2.gz MWSYMGXHDVQXMJ-UHFFFAOYSA-N -1 1 303.333 3.525 20 0 DHADMM CC(C)(C)c1cnc(CN2CCC[C@@H](CCC(=O)[O-])C2)s1 ZINC000871621650 956048505 /nfs/dbraw/zinc/04/85/05/956048505.db2.gz LAZWIJZJSNXQJS-LBPRGKRZSA-N -1 1 310.463 3.517 20 0 DHADMM O=C(Nc1nc(/C=C\c2ccccc2)cs1)c1cncc([O-])c1 ZINC000339950950 1013141624 /nfs/dbraw/zinc/14/16/24/1013141624.db2.gz KGCDCENEQZABAV-SREVYHEPSA-N -1 1 323.377 3.666 20 0 DHADMM C[C@]1(C(=O)[O-])CCCN1Cc1ccc(-c2cccc(F)c2F)o1 ZINC001589186784 956562025 /nfs/dbraw/zinc/56/20/25/956562025.db2.gz CYSHHQVJRCNXDD-QGZVFWFLSA-N -1 1 321.323 3.664 20 0 DHADMM O=C([O-])c1ccc(CN[C@@H]2CCSc3ccc(Cl)cc32)o1 ZINC000071381132 957723126 /nfs/dbraw/zinc/72/31/26/957723126.db2.gz NUDPQMZCYUNVHH-GFCCVEGCSA-N -1 1 323.801 3.958 20 0 DHADMM CCCCc1noc([C@@H](C)O[N-]C(=O)CCC2CCCCC2)n1 ZINC000083536867 1013164084 /nfs/dbraw/zinc/16/40/84/1013164084.db2.gz FYCFYHYXBLOZQJ-CYBMUJFWSA-N -1 1 323.437 3.882 20 0 DHADMM C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263411604 962578469 /nfs/dbraw/zinc/57/84/69/962578469.db2.gz LOWIWAGNLIESMG-GXFFZTMASA-N -1 1 301.308 3.548 20 0 DHADMM CC(C)COc1ccccc1CNCc1cccc(C(=O)[O-])c1 ZINC000263436957 962616587 /nfs/dbraw/zinc/61/65/87/962616587.db2.gz CRBMJJUTGXIFSZ-UHFFFAOYSA-N -1 1 313.397 3.709 20 0 DHADMM O=C([O-])c1cccc(CN[C@@H]2CCCOc3c(F)cccc32)c1 ZINC000263443953 962627046 /nfs/dbraw/zinc/62/70/46/962627046.db2.gz XHVFCHWUGCGXGE-MRXNPFEDSA-N -1 1 315.344 3.527 20 0 DHADMM CCc1nc(SC[C@@H]2CCCCC2(F)F)[n-]c(=O)c1C ZINC000519544815 1013373286 /nfs/dbraw/zinc/37/32/86/1013373286.db2.gz HOYNFOQXZIFZHN-JTQLQIEISA-N -1 1 302.390 3.971 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1CCSc2ccccc21 ZINC000340330104 1013497805 /nfs/dbraw/zinc/49/78/05/1013497805.db2.gz PQPXRZKSXFBWFS-LBPRGKRZSA-N -1 1 303.358 3.749 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1cccc(Br)c1 ZINC000340328493 1013497844 /nfs/dbraw/zinc/49/78/44/1013497844.db2.gz KRSKAWJRMPMOMA-UHFFFAOYSA-N -1 1 310.122 3.546 20 0 DHADMM COc1cc(C(=O)Nc2ccc(F)cc2[O-])ccc1OC(C)C ZINC000340329768 1013498192 /nfs/dbraw/zinc/49/81/92/1013498192.db2.gz GLCAIXKOJCRXQI-UHFFFAOYSA-N -1 1 319.332 3.579 20 0 DHADMM C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(F)cc1[O-] ZINC000340332049 1013499511 /nfs/dbraw/zinc/49/95/11/1013499511.db2.gz FWKQYSXBSKLVHJ-LLVKDONJSA-N -1 1 305.374 3.792 20 0 DHADMM COc1ccc(C[C@H](C)C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000121003818 1013529894 /nfs/dbraw/zinc/52/98/94/1013529894.db2.gz RMCSGHIXAHMDJF-NSHDSACASA-N -1 1 319.788 3.872 20 0 DHADMM [O-]c1ccc(-c2noc(CCc3ccccc3F)n2)cc1F ZINC000683594248 1013703106 /nfs/dbraw/zinc/70/31/06/1013703106.db2.gz UNQKAQVPJSRUDT-UHFFFAOYSA-N -1 1 302.280 3.506 20 0 DHADMM O=C(NCc1ccc(Cl)nc1)c1ccc2ccccc2c1[O-] ZINC000121018449 1013709712 /nfs/dbraw/zinc/70/97/12/1013709712.db2.gz SDCFVIGXYYWFRS-UHFFFAOYSA-N -1 1 312.756 3.524 20 0 DHADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(C(C)(F)F)c2)c1 ZINC000188559083 1013881758 /nfs/dbraw/zinc/88/17/58/1013881758.db2.gz ZUQYNDOTPWJXGE-UHFFFAOYSA-N -1 1 311.353 3.908 20 0 DHADMM O=C(Nc1ccccc1Oc1ccccc1)c1cncc([O-])c1 ZINC000082336904 1013948563 /nfs/dbraw/zinc/94/85/63/1013948563.db2.gz WNKXUDMNOFXRBX-UHFFFAOYSA-N -1 1 306.321 3.832 20 0 DHADMM CC(C)(C)[C@@H](NCc1cc(C(=O)[O-])co1)c1ccc(F)cc1 ZINC000317381523 970352410 /nfs/dbraw/zinc/35/24/10/970352410.db2.gz LGMDBVNACFRDPE-HNNXBMFYSA-N -1 1 305.349 3.994 20 0 DHADMM C[C@@H](NCc1cc(C(=O)[O-])co1)c1cccc(C(F)(F)F)c1 ZINC000317549061 970369406 /nfs/dbraw/zinc/36/94/06/970369406.db2.gz XVTFXUZXZGBKIO-SECBINFHSA-N -1 1 313.275 3.847 20 0 DHADMM O=C(Nc1cc(Cl)ccc1OC(F)F)c1ccccc1[O-] ZINC000622734020 1014083838 /nfs/dbraw/zinc/08/38/38/1014083838.db2.gz ZVMQIRDKVLRAHC-UHFFFAOYSA-N -1 1 313.687 3.899 20 0 DHADMM Cc1cccc(OCCC(=O)Nc2c([O-])cccc2F)c1C ZINC000089541454 1014102610 /nfs/dbraw/zinc/10/26/10/1014102610.db2.gz SQIRKSORETWZKP-UHFFFAOYSA-N -1 1 303.333 3.556 20 0 DHADMM CC[C@]1(C)Oc2ccc(NC(=O)c3ccc([O-])cc3F)cc2O1 ZINC000189296969 1014168155 /nfs/dbraw/zinc/16/81/55/1014168155.db2.gz GLNPCLLOAWTTOE-QGZVFWFLSA-N -1 1 317.316 3.681 20 0 DHADMM CCc1noc(C)c1[C@H](C)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001603994223 974499365 /nfs/dbraw/zinc/49/93/65/974499365.db2.gz YXORPINBIAAKIM-DRZCJDIDSA-N -1 1 314.385 3.509 20 0 DHADMM C[C@@]12CCN(Cc3ccc(C(=O)[O-])c(Cl)c3)C[C@@H]1C2(F)F ZINC000563455410 974534148 /nfs/dbraw/zinc/53/41/48/974534148.db2.gz MTYBYVOTCBLTHS-GXTWGEPZSA-N -1 1 315.747 3.515 20 0 DHADMM CCCCN(CC)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000568061498 974657082 /nfs/dbraw/zinc/65/70/82/974657082.db2.gz IISIOFHDIVSDMM-UHFFFAOYSA-N -1 1 302.374 3.662 20 0 DHADMM Cc1cc(C)cc(C2=CCN(Cc3cc(C(=O)[O-])co3)CC2)c1 ZINC000575131157 974795771 /nfs/dbraw/zinc/79/57/71/974795771.db2.gz WIAVPOOUDGIHQB-UHFFFAOYSA-N -1 1 311.381 3.884 20 0 DHADMM Cc1oc(CN(C)Cc2ccc(C(F)F)cc2)cc1C(=O)[O-] ZINC000578199561 974850356 /nfs/dbraw/zinc/85/03/56/974850356.db2.gz MMTPSPRMEDCGDG-UHFFFAOYSA-N -1 1 309.312 3.856 20 0 DHADMM O=C([O-])c1cc(CN2CCSC[C@H]2c2ccccc2)cs1 ZINC000652387733 975518496 /nfs/dbraw/zinc/51/84/96/975518496.db2.gz PDOKXNJZEIIFDK-AWEZNQCLSA-N -1 1 319.451 3.736 20 0 DHADMM O=C([O-])[C@H](c1ccsc1)N1CCc2c(Cl)cccc2C1 ZINC000652411073 975525143 /nfs/dbraw/zinc/52/51/43/975525143.db2.gz ZQHQTIBPWXTJTR-AWEZNQCLSA-N -1 1 307.802 3.586 20 0 DHADMM Cc1cccc(C)c1[C@@H]1CCCN1Cc1nc(C(=O)[O-])cs1 ZINC000656756270 975684721 /nfs/dbraw/zinc/68/47/21/975684721.db2.gz CTZZDXIIYSQQEJ-AWEZNQCLSA-N -1 1 316.426 3.795 20 0 DHADMM [O-]c1cc(Nc2cc(Br)cnc2F)cc(F)c1F ZINC001211271247 1014305154 /nfs/dbraw/zinc/30/51/54/1014305154.db2.gz KUYPEKRTMAMTJY-UHFFFAOYSA-N -1 1 319.080 3.711 20 0 DHADMM Cc1n[n-]c(=NCc2cc(-c3ccccc3)cs2)n1C1CC1 ZINC000340702228 1014472008 /nfs/dbraw/zinc/47/20/08/1014472008.db2.gz WJJMQZSRQIKTKD-UHFFFAOYSA-N -1 1 310.426 3.684 20 0 DHADMM Cc1ccnc(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)n1 ZINC001167445375 1014553895 /nfs/dbraw/zinc/55/38/95/1014553895.db2.gz XAIULKAUNMZNNO-UHFFFAOYSA-N -1 1 313.744 3.550 20 0 DHADMM C[C@]1(NCc2ccc(/C=C/C(=O)[O-])o2)CCCc2ccccc21 ZINC000901439687 980287941 /nfs/dbraw/zinc/28/79/41/980287941.db2.gz WUFHQDXXYZIZFG-VYENPZKTSA-N -1 1 311.381 3.719 20 0 DHADMM O=C([O-])CC1(NCc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000901480735 980309125 /nfs/dbraw/zinc/30/91/25/980309125.db2.gz PZVFKULPSNBTLX-UHFFFAOYSA-N -1 1 322.817 3.560 20 0 DHADMM CC[C@@H](NCc1cc(F)cnc1Cl)c1ccc(C(=O)[O-])cc1 ZINC001595299285 980426038 /nfs/dbraw/zinc/42/60/38/980426038.db2.gz OICVVDOLLSYLBE-CQSZACIVSA-N -1 1 322.767 3.813 20 0 DHADMM CCCCC[C@H](NCc1cc2cc(OC)ccc2o1)C(=O)[O-] ZINC000901724314 980465901 /nfs/dbraw/zinc/46/59/01/980465901.db2.gz BAYLOJLOKYPGPQ-HNNXBMFYSA-N -1 1 305.374 3.565 20 0 DHADMM Cc1ccoc1CN[C@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000901846439 980570095 /nfs/dbraw/zinc/57/00/95/980570095.db2.gz IPHKZRVZXBKHER-DOTOQJQBSA-N -1 1 313.397 3.641 20 0 DHADMM C[C@@H](NCc1ccoc1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000902071469 980720233 /nfs/dbraw/zinc/72/02/33/980720233.db2.gz ZJMFJIJGICLOGM-SECBINFHSA-N -1 1 313.275 3.847 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CN[C@H]1CCSc2ccc(F)cc21 ZINC000902087611 980726685 /nfs/dbraw/zinc/72/66/85/980726685.db2.gz SWRMPFBFNGNTJN-ZDUSSCGKSA-N -1 1 321.373 3.752 20 0 DHADMM CCCCOc1cccc(CNCc2cc(C)c(C(=O)[O-])o2)c1 ZINC000902104249 980735711 /nfs/dbraw/zinc/73/57/11/980735711.db2.gz KHGFVPTXCJCYSR-UHFFFAOYSA-N -1 1 317.385 3.755 20 0 DHADMM CC[C@@H](NCc1cccc(C(=O)[O-])n1)c1cccc(Cl)c1 ZINC000902110216 980738891 /nfs/dbraw/zinc/73/88/91/980738891.db2.gz VLWPAIDTFJEZGL-CQSZACIVSA-N -1 1 304.777 3.674 20 0 DHADMM Cc1cc(CN[C@H](C)c2cccc(OC(C)C)c2)oc1C(=O)[O-] ZINC000902117601 980742964 /nfs/dbraw/zinc/74/29/64/980742964.db2.gz CBKDRIPQPORKIX-CYBMUJFWSA-N -1 1 317.385 3.924 20 0 DHADMM Cc1cc(CN[C@H]2CCc3cc(Cl)ccc32)oc1C(=O)[O-] ZINC000902170705 980767005 /nfs/dbraw/zinc/76/70/05/980767005.db2.gz FUJYGPFKQMRPNG-AWEZNQCLSA-N -1 1 305.761 3.717 20 0 DHADMM CC[C@H](c1ccccc1OC)N(C)Cc1cc(C)c(C(=O)[O-])o1 ZINC001595364352 980792942 /nfs/dbraw/zinc/79/29/42/980792942.db2.gz UHWAGPDECJSYSP-OAHLLOKOSA-N -1 1 317.385 3.878 20 0 DHADMM CC[C@H](c1ccccc1)N(CC)Cc1nc(C(=O)[O-])cs1 ZINC001595364612 980795910 /nfs/dbraw/zinc/79/59/10/980795910.db2.gz UFUVVNPXRFVFKQ-CQSZACIVSA-N -1 1 304.415 3.815 20 0 DHADMM CC(C)C[C@@H](NCc1cc(C(=O)[O-])no1)c1ccc(Cl)cc1 ZINC000902298582 980824100 /nfs/dbraw/zinc/82/41/00/980824100.db2.gz UTAFLFVVQYAXDL-CQSZACIVSA-N -1 1 322.792 3.903 20 0 DHADMM Cc1ncc([C@@H](C)NCc2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC000902383743 980864469 /nfs/dbraw/zinc/86/44/69/980864469.db2.gz ZUHKOYXPGPVURI-MRVPVSSYSA-N -1 1 310.806 3.654 20 0 DHADMM CC[C@H](c1ccccc1OC)N(C)Cc1cc(C(=O)[O-])co1 ZINC000902541989 980927042 /nfs/dbraw/zinc/92/70/42/980927042.db2.gz AZOSCRYVTCNADB-OAHLLOKOSA-N -1 1 303.358 3.570 20 0 DHADMM CCC1CCC(N(Cc2ncc(C(=O)[O-])s2)C2CC2)CC1 ZINC001595420489 981036085 /nfs/dbraw/zinc/03/60/85/981036085.db2.gz OOTZGIBYLQHQTC-UHFFFAOYSA-N -1 1 308.447 3.775 20 0 DHADMM CC(C)(C)[C@@H](NCc1ccc(C(=O)[O-])cn1)c1ccc(F)cc1 ZINC000905718081 981121823 /nfs/dbraw/zinc/12/18/23/981121823.db2.gz DLMHDMXBCCKPAR-INIZCTEOSA-N -1 1 316.376 3.796 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CN[C@@H](c1ncccc1C)C(C)(C)C ZINC000905800232 981157847 /nfs/dbraw/zinc/15/78/47/981157847.db2.gz WKBCPCBIDLFJKF-INIZCTEOSA-N -1 1 316.401 3.867 20 0 DHADMM O=S(=O)([N-]c1ccc2ccoc2c1)c1cccc(Cl)c1 ZINC000442851593 1014755664 /nfs/dbraw/zinc/75/56/64/1014755664.db2.gz WVELUCLRWGOKQC-UHFFFAOYSA-N -1 1 307.758 3.887 20 0 DHADMM COc1cc(C(=O)N2CCC[C@@H](C(C)C)C2)cc(Cl)c1[O-] ZINC000442932085 1014772549 /nfs/dbraw/zinc/77/25/49/1014772549.db2.gz LCKNYKPESLFXGG-LLVKDONJSA-N -1 1 311.809 3.562 20 0 DHADMM Cc1c(=O)[n-]c(SCC[C@@H]2CCOC2)nc1-c1ccccc1 ZINC000521971291 1014851624 /nfs/dbraw/zinc/85/16/24/1014851624.db2.gz NQUAVONZSOGMMR-ZDUSSCGKSA-N -1 1 316.426 3.676 20 0 DHADMM CC[C@@H](C)c1cc(C(=O)[N-]c2ccc(O)cc2SC)on1 ZINC000191195343 1014906194 /nfs/dbraw/zinc/90/61/94/1014906194.db2.gz ABDZYVNNMMCSLY-SECBINFHSA-N -1 1 306.387 3.868 20 0 DHADMM CCN([C@H](C)Cc1ccsc1)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001596177918 983547223 /nfs/dbraw/zinc/54/72/23/983547223.db2.gz JPJJPZQPJUBBTI-MNOVXSKESA-N -1 1 324.471 3.917 20 0 DHADMM CCN(Cc1cc(-c2ccc(Cl)cc2)no1)C(C)(C)C(=O)[O-] ZINC001596354541 983820286 /nfs/dbraw/zinc/82/02/86/983820286.db2.gz WGGKNIPSHGWEDL-UHFFFAOYSA-N -1 1 322.792 3.680 20 0 DHADMM CCN(Cc1cc(C(=O)[O-])oc1C)Cc1ccc(Cl)cc1 ZINC001596359556 983834052 /nfs/dbraw/zinc/83/40/52/983834052.db2.gz JTOIEVUEUBEAAB-UHFFFAOYSA-N -1 1 307.777 3.962 20 0 DHADMM Cc1ccnc([N-]S(=O)(=O)CCC2CCCC2)c1C1CC1 ZINC000656738209 1015107744 /nfs/dbraw/zinc/10/77/44/1015107744.db2.gz BMWXSPMQGFEZHC-UHFFFAOYSA-N -1 1 308.447 3.589 20 0 DHADMM Cc1cccc(CS(=O)(=O)[N-]c2nccc(C)c2C2CC2)c1 ZINC000656738472 1015107808 /nfs/dbraw/zinc/10/78/08/1015107808.db2.gz KBJQNQAHDXGXGY-UHFFFAOYSA-N -1 1 316.426 3.518 20 0 DHADMM Cc1[nH]c2ccc(CN[C@H](C)c3cc(C(=O)[O-])co3)cc2c1C ZINC001599964922 985884412 /nfs/dbraw/zinc/88/44/12/985884412.db2.gz BKPAKVBZZJZQTE-GFCCVEGCSA-N -1 1 312.369 3.927 20 0 DHADMM Cc1c(C(=O)[O-])cc(CN2CCC[C@H]2c2cccc(F)c2)n1C ZINC001599985388 986220648 /nfs/dbraw/zinc/22/06/48/986220648.db2.gz NAEVVWLJJBWFGE-KRWDZBQOSA-N -1 1 316.376 3.508 20 0 DHADMM C[C@@H]1Oc2ccccc2[C@H]1NCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001594655478 986891620 /nfs/dbraw/zinc/89/16/20/986891620.db2.gz RSFMHLLEOVOJSM-QFYYESIMSA-N -1 1 317.772 3.650 20 0 DHADMM CCOc1ccc2nc(S[C@H](C(=O)[O-])[C@@H](C)CC)[nH]c2c1 ZINC001597145594 986907302 /nfs/dbraw/zinc/90/73/02/986907302.db2.gz IRPZPAQOBKNTLH-ZANVPECISA-N -1 1 308.403 3.553 20 0 DHADMM C[C@@H](C(=O)[O-])[C@@H](NCc1cc(O)ccc1Cl)c1ccccc1 ZINC001589468627 986933327 /nfs/dbraw/zinc/93/33/27/986933327.db2.gz KRZUXPKJBLOGNZ-BDJLRTHQSA-N -1 1 319.788 3.597 20 0 DHADMM Cc1cccc(CC(=O)Nc2cc([O-])c(F)cc2F)c1Cl ZINC001141833936 1015267825 /nfs/dbraw/zinc/26/78/25/1015267825.db2.gz OXVJKXPBVVZXBF-UHFFFAOYSA-N -1 1 311.715 3.813 20 0 DHADMM CCOc1ccccc1CNCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001597172968 987010328 /nfs/dbraw/zinc/01/03/28/987010328.db2.gz UYCNSZCDCVXHGV-UHFFFAOYSA-N -1 1 319.788 3.727 20 0 DHADMM CCSc1cccc(CNCc2ccc(/C=C\C(=O)[O-])o2)c1 ZINC001597277413 987334929 /nfs/dbraw/zinc/33/49/29/987334929.db2.gz PGSBPMROBCSTLI-HJWRWDBZSA-N -1 1 317.410 3.779 20 0 DHADMM COc1cccc(-c2noc([N-][C@H](c3ccccn3)C3CC3)n2)c1 ZINC000895792710 1015305644 /nfs/dbraw/zinc/30/56/44/1015305644.db2.gz GBQKEOIFAHQPLU-INIZCTEOSA-N -1 1 322.368 3.703 20 0 DHADMM CC(C)(C(=O)[O-])[C@@H](NCc1nc2ccccc2[nH]1)c1ccccc1 ZINC001589601348 987426546 /nfs/dbraw/zinc/42/65/46/987426546.db2.gz KCAQRGQAQAARIP-KRWDZBQOSA-N -1 1 323.396 3.505 20 0 DHADMM CC(C)(C(=O)[O-])[C@@H](NCc1scnc1Cl)c1ccccc1 ZINC001589601543 987427637 /nfs/dbraw/zinc/42/76/37/987427637.db2.gz NDWNUXMNCALCNX-LBPRGKRZSA-N -1 1 324.833 3.738 20 0 DHADMM CSc1ccccc1CN(C)Cc1ccc(F)cc1C(=O)[O-] ZINC001599823720 988559926 /nfs/dbraw/zinc/55/99/26/988559926.db2.gz ANKIQACAEPHDIK-UHFFFAOYSA-N -1 1 319.401 3.878 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN1CCc2c(C)cc(C)cc2C1 ZINC001597766554 989214785 /nfs/dbraw/zinc/21/47/85/989214785.db2.gz WAKLPTLKXUQEEJ-UHFFFAOYSA-N -1 1 313.397 3.715 20 0 DHADMM O=C([O-])C[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000054300028 1015490282 /nfs/dbraw/zinc/49/02/82/1015490282.db2.gz UREUZVMVTHOWHU-SNVBAGLBSA-N -1 1 302.201 3.680 20 0 DHADMM CC(C)(C)c1ccc(CNCc2ccc(C(=O)[O-])c(F)c2)o1 ZINC001590487492 990088046 /nfs/dbraw/zinc/08/80/46/990088046.db2.gz MFLITXPJDLIUDZ-UHFFFAOYSA-N -1 1 305.349 3.704 20 0 DHADMM COc1ccccc1[C@@H](CC(C)C)NCc1occc1C(=O)[O-] ZINC001599699121 991192751 /nfs/dbraw/zinc/19/27/51/991192751.db2.gz VUKLZSGNAJQZPC-OAHLLOKOSA-N -1 1 317.385 3.863 20 0 DHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC2(CCCC2)C1 ZINC000896739098 1015724390 /nfs/dbraw/zinc/72/43/90/1015724390.db2.gz YVDNZUDOFKSQTE-UHFFFAOYSA-N -1 1 311.381 3.657 20 0 DHADMM CC[C@H]1CCc2c(sc3nc(-c4cc(C)on4)[n-]c(=O)c23)C1 ZINC000684558193 1015737213 /nfs/dbraw/zinc/73/72/13/1015737213.db2.gz DUNBTKNRWMMPBM-VIFPVBQESA-N -1 1 315.398 3.875 20 0 DHADMM CCOc1cc(-c2nc(C3(OC)CCC3)no2)cc(Cl)c1[O-] ZINC000276914179 1015745391 /nfs/dbraw/zinc/74/53/91/1015745391.db2.gz LDUKXKXMBIZZAG-UHFFFAOYSA-N -1 1 324.764 3.520 20 0 DHADMM CC(C)Cc1ncc(CN[C@H](CC(=O)[O-])c2ccsc2)s1 ZINC000276948183 1015768847 /nfs/dbraw/zinc/76/88/47/1015768847.db2.gz DJENLYGQOLUAKK-CYBMUJFWSA-N -1 1 324.471 3.709 20 0 DHADMM CSCC[C@H](NCc1ccc(-c2ccc(C)cc2)o1)C(=O)[O-] ZINC000276960691 1015777726 /nfs/dbraw/zinc/77/77/26/1015777726.db2.gz FSFIAPPKTKLUCN-HNNXBMFYSA-N -1 1 319.426 3.551 20 0 DHADMM C[C@H](NCc1cc(C(=O)[O-])co1)c1ccc(-c2ccncc2)cc1 ZINC001593288896 994659414 /nfs/dbraw/zinc/65/94/14/994659414.db2.gz NSKULACPYPBPRO-ZDUSSCGKSA-N -1 1 322.364 3.891 20 0 DHADMM O=C([O-])C1(Cc2ccccc2-c2cc(C(F)(F)F)n[nH]2)CC1 ZINC000657203239 1016029465 /nfs/dbraw/zinc/02/94/65/1016029465.db2.gz PJEHGJZWHRMQSL-UHFFFAOYSA-N -1 1 310.275 3.503 20 0 DHADMM COc1ccc(C(=O)[O-])cc1CN[C@@H](C)c1ccc(Cl)cc1 ZINC001599500189 997103020 /nfs/dbraw/zinc/10/30/20/997103020.db2.gz GKIRCNOEFFAINL-NSHDSACASA-N -1 1 319.788 3.898 20 0 DHADMM C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1cc(C(=O)[O-])ccc1Cl ZINC001594177394 998689077 /nfs/dbraw/zinc/68/90/77/998689077.db2.gz XGPVHFMAORTMQN-LDYMZIIASA-N -1 1 321.726 3.811 20 0 DHADMM C[C@H]1C[C@@H](NCc2ccc(Cl)c(C(=O)[O-])n2)c2ccccc21 ZINC001594261611 999010641 /nfs/dbraw/zinc/01/06/41/999010641.db2.gz OCSMXQHQGUBDCQ-ZUZCIYMTSA-N -1 1 316.788 3.771 20 0 DHADMM C[C@H]1C[C@H](c2cccnc2)N(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC001594272703 999055946 /nfs/dbraw/zinc/05/59/46/999055946.db2.gz TVLQOVXVHLNKDH-YVEFUNNKSA-N -1 1 314.360 3.502 20 0 DHADMM CCCCn1ncc(C(=O)Nc2ccc([O-])c(Cl)c2)c1CC ZINC000277462073 1016344583 /nfs/dbraw/zinc/34/45/83/1016344583.db2.gz YIQJCJNPLDFYOE-UHFFFAOYSA-N -1 1 321.808 3.857 20 0 DHADMM CC[C@H](NC(=O)c1cc(F)ccc1[O-])c1cc(F)ccc1F ZINC000622387267 1016384015 /nfs/dbraw/zinc/38/40/15/1016384015.db2.gz QXYWZXROCYAKCC-AWEZNQCLSA-N -1 1 309.287 3.691 20 0 DHADMM O=C(N[C@H](C1CCCCC1)C(F)(F)F)c1c([O-])cccc1F ZINC000622421929 1016402319 /nfs/dbraw/zinc/40/23/19/1016402319.db2.gz PEWMYLXJGVOXKC-CYBMUJFWSA-N -1 1 319.298 3.772 20 0 DHADMM Cc1cc(CNCc2ccc(C(=O)[O-])o2)ccc1C(F)(F)F ZINC000901661323 1016420274 /nfs/dbraw/zinc/42/02/74/1016420274.db2.gz KSDOLEKFHNTFLQ-UHFFFAOYSA-N -1 1 313.275 3.595 20 0 DHADMM Cc1oc(C[N@H+]2CCC[C@H]2/C=C\c2ccccc2)cc1C(=O)[O-] ZINC000563282129 1016498949 /nfs/dbraw/zinc/49/89/49/1016498949.db2.gz FPDBXCRTYMKOHE-YDZSZYSISA-N -1 1 311.381 3.964 20 0 DHADMM CSc1ccc([C@@H](C)NC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000684995396 1017210585 /nfs/dbraw/zinc/21/05/85/1017210585.db2.gz 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[O-]c1ccc(NC(=S)Nc2c(F)cccc2F)c(F)c1F ZINC001247077578 1032367261 /nfs/dbraw/zinc/36/72/61/1032367261.db2.gz MNWHMIZNWJKNRZ-UHFFFAOYSA-N -1 1 316.279 3.758 20 0 DHADMM CSc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2C)cc1 ZINC000064467844 1032436898 /nfs/dbraw/zinc/43/68/98/1032436898.db2.gz KXTRESFSOAFWKU-UHFFFAOYSA-N -1 1 311.403 3.657 20 0 DHADMM Cc1cnc(C)c(NC(=O)c2cccc(-c3ccccc3)c2[O-])n1 ZINC001148861166 1032449339 /nfs/dbraw/zinc/44/93/39/1032449339.db2.gz NJJGHVNRXRNHCD-UHFFFAOYSA-N -1 1 319.364 3.718 20 0 DHADMM C[C@H](c1cccnc1)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000122133540 1032509966 /nfs/dbraw/zinc/50/99/66/1032509966.db2.gz NPKDLHMYMLSRON-CYBMUJFWSA-N -1 1 306.365 3.774 20 0 DHADMM Fc1cc(-c2noc(-c3cc(Cl)[nH]n3)n2)c(F)cc1Cl ZINC001213500691 1011996244 /nfs/dbraw/zinc/99/62/44/1011996244.db2.gz PBQWLCIEMQXXGX-UHFFFAOYSA-N -1 1 317.082 3.712 20 0 DHADMM O=C(Nc1cccc2cnncc21)c1ccc2ccccc2c1[O-] ZINC000683130155 1012060076 /nfs/dbraw/zinc/06/00/76/1012060076.db2.gz ZDYULIUNRJPLOS-UHFFFAOYSA-N -1 1 315.332 3.741 20 0 DHADMM CSc1cc(O)ccc1[N-]C(=O)c1c(C)noc1C(F)F ZINC000683138364 1012084310 /nfs/dbraw/zinc/08/43/10/1012084310.db2.gz PRFUBUCPGBWFFH-UHFFFAOYSA-N -1 1 314.313 3.600 20 0 DHADMM O=C(N[C@H]1CCC[C@H](c2ccccc2)C1)c1ccc([O-])c(F)c1 ZINC000683138243 1012085376 /nfs/dbraw/zinc/08/53/76/1012085376.db2.gz JUSZPBJPYXZFGS-HOCLYGCPSA-N -1 1 313.372 3.988 20 0 DHADMM CCc1nc(SCCCc2cccc(F)c2)[n-]c(=O)c1C ZINC000515501270 1012641441 /nfs/dbraw/zinc/64/14/41/1012641441.db2.gz ZROYLDLNXBMNNT-UHFFFAOYSA-N -1 1 306.406 3.917 20 0 DHADMM CCCc1nnc(NC(=O)c2ccc(C(C)C)cc2[O-])s1 ZINC000436671892 1012762574 /nfs/dbraw/zinc/76/25/74/1012762574.db2.gz WLSCCNWUFWNONV-UHFFFAOYSA-N -1 1 305.403 3.572 20 0 DHADMM O=C([N-][C@H](C(F)F)C1CCCCC1)C(F)(F)c1nccs1 ZINC000857696064 1032658357 /nfs/dbraw/zinc/65/83/57/1032658357.db2.gz VAOWROUVOISQAA-VIFPVBQESA-N -1 1 324.343 3.565 20 0 DHADMM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc([O-])c(F)c2F)o1 ZINC000654308812 1017248194 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COc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)c(F)c1 ZINC000445442097 1017862383 /nfs/dbraw/zinc/86/23/83/1017862383.db2.gz BCUHSYQMGXPQDO-UHFFFAOYSA-N -1 1 320.707 3.910 20 0 DHADMM CC(C)(C)OCc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000674523984 1018024057 /nfs/dbraw/zinc/02/40/57/1018024057.db2.gz HNWYGXADTNQGOO-UHFFFAOYSA-N -1 1 315.369 3.665 20 0 DHADMM CCOc1cc(Nc2ccnc(Cl)c2[O-])c(F)cc1F ZINC001212530438 1018273000 /nfs/dbraw/zinc/27/30/00/1018273000.db2.gz ADZBNOWPGGRFML-UHFFFAOYSA-N -1 1 300.692 3.861 20 0 DHADMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2F)c1C ZINC000446945699 1018299172 /nfs/dbraw/zinc/29/91/72/1018299172.db2.gz IXQAMEDXOCKFCD-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM COc1ccc(Cl)c([N-]S(=O)(=O)c2sccc2C)c1 ZINC000525534863 1018314453 /nfs/dbraw/zinc/31/44/53/1018314453.db2.gz VNSPRKYHOCHQEK-UHFFFAOYSA-N -1 1 317.819 3.519 20 0 DHADMM COc1cc(C)cc([N-]S(=O)(=O)c2cc(F)ccc2C)c1C ZINC000447275017 1018364754 /nfs/dbraw/zinc/36/47/54/1018364754.db2.gz RKEITYQKBNCSEV-UHFFFAOYSA-N -1 1 323.389 3.560 20 0 DHADMM O=c1[n-]c(-c2nnc(-c3ccccc3)s2)nc2ccc(F)cc12 ZINC000525830974 1018391645 /nfs/dbraw/zinc/39/16/45/1018391645.db2.gz IHLFCEBXOUORLL-UHFFFAOYSA-N -1 1 324.340 3.660 20 0 DHADMM O=C1[N-]C(=O)C(=Cc2cc(Cl)cc(C(F)(F)F)c2)S1 ZINC000874928899 1032765081 /nfs/dbraw/zinc/76/50/81/1032765081.db2.gz UJBGZWFKTVPELL-BAQGIRSFSA-N -1 1 307.680 3.683 20 0 DHADMM Cc1ccc(Br)c(C(=O)Nc2c([O-])cccc2F)c1 ZINC000675708211 1018561578 /nfs/dbraw/zinc/56/15/78/1018561578.db2.gz KUAJYXFYGUTPRT-UHFFFAOYSA-N -1 1 324.149 3.855 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1c[nH]c2cc(Cl)ccc21 ZINC000676055424 1018649857 /nfs/dbraw/zinc/64/98/57/1018649857.db2.gz JEXKIBSRHMFZBF-UHFFFAOYSA-N -1 1 304.708 3.918 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1cc(-c2ccccc2F)on1 ZINC000676054967 1018650260 /nfs/dbraw/zinc/65/02/60/1018650260.db2.gz BEWVVKBQNBSESZ-UHFFFAOYSA-N -1 1 316.263 3.578 20 0 DHADMM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1c(Cl)cccc1Cl ZINC000565720515 1032783464 /nfs/dbraw/zinc/78/34/64/1032783464.db2.gz HKPZHJRRKMFZCU-ZDUSSCGKSA-N -1 1 304.217 3.925 20 0 DHADMM O=C(NOCc1ccc(F)cc1)c1cc2ccccc2cc1[O-] ZINC000186455292 1018737447 /nfs/dbraw/zinc/73/74/47/1018737447.db2.gz VJJUFZBIVAIRDE-UHFFFAOYSA-N -1 1 311.312 3.546 20 0 DHADMM C[C@H](CCOc1ccccc1)C(=O)Nc1c([O-])cccc1F ZINC000073145229 1018817301 /nfs/dbraw/zinc/81/73/01/1018817301.db2.gz RBXJYTLWYJWBJH-GFCCVEGCSA-N -1 1 303.333 3.575 20 0 DHADMM O=C(NCCc1cccc(F)c1)c1ccc2ccccc2c1[O-] ZINC000010101605 1018834835 /nfs/dbraw/zinc/83/48/35/1018834835.db2.gz WVJAWRFJHAFVIU-UHFFFAOYSA-N -1 1 309.340 3.657 20 0 DHADMM COc1ccccc1CCNC(=O)c1ccc2ccccc2c1[O-] ZINC000017845667 1018928854 /nfs/dbraw/zinc/92/88/54/1018928854.db2.gz IOSLGGWSAVGYQE-UHFFFAOYSA-N -1 1 321.376 3.527 20 0 DHADMM C[C@H](SCc1ccccc1)C(=O)Nc1cccc(F)c1[O-] ZINC001302487801 1018954190 /nfs/dbraw/zinc/95/41/90/1018954190.db2.gz ZLUAOUKTHJJIAA-NSHDSACASA-N -1 1 305.374 3.792 20 0 DHADMM [O-]c1c(F)cc(Nc2cc(N3CCCCC3)ncn2)cc1Cl ZINC001214482645 1018970209 /nfs/dbraw/zinc/97/02/09/1018970209.db2.gz GSAOFZDJPURTGM-UHFFFAOYSA-N -1 1 322.771 3.709 20 0 DHADMM O=C([O-])C[N@H+](Cc1cc(-c2ccccc2)cs1)CC1CC1 ZINC000650797346 1018970990 /nfs/dbraw/zinc/97/09/90/1018970990.db2.gz SNZZGVHPZBLDKJ-UHFFFAOYSA-N -1 1 301.411 3.712 20 0 DHADMM O=C(Cc1cccc(C(F)(F)F)c1)Nc1cccc(F)c1[O-] ZINC001171632775 1032799528 /nfs/dbraw/zinc/79/95/28/1032799528.db2.gz OLTIWIIDMRJPQD-UHFFFAOYSA-N -1 1 313.250 3.731 20 0 DHADMM Cc1sc([C@H](C)NCc2ccc(C)c(C)c2)nc1C(=O)[O-] ZINC000900075037 1018985247 /nfs/dbraw/zinc/98/52/47/1018985247.db2.gz ISTCPLUWTOIVGV-NSHDSACASA-N -1 1 304.415 3.617 20 0 DHADMM O=C(NCCCOC1CCCCC1)c1cc(Cl)ccc1[O-] ZINC000024481241 1019000671 /nfs/dbraw/zinc/00/06/71/1019000671.db2.gz SRYOHRKBBHIJKA-UHFFFAOYSA-N -1 1 311.809 3.515 20 0 DHADMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000007052184 1019001146 /nfs/dbraw/zinc/00/11/46/1019001146.db2.gz ZGCIJKJKOQWQLO-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(F)c(Cl)c1 ZINC000007405416 1019027802 /nfs/dbraw/zinc/02/78/02/1019027802.db2.gz ZFBQBRWUINCRLB-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM CCOCc1ccc(CNC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000030124150 1019193673 /nfs/dbraw/zinc/19/36/73/1019193673.db2.gz MMZVWGMEMALHBA-UHFFFAOYSA-N -1 1 319.788 3.512 20 0 DHADMM [O-]c1cccnc1-c1nc(-c2cccc3c(Cl)ccnc23)no1 ZINC001212480974 1019413639 /nfs/dbraw/zinc/41/36/39/1019413639.db2.gz SHYDPEWKZYYBHX-UHFFFAOYSA-N -1 1 324.727 3.706 20 0 DHADMM O=C1Nc2ccccc2/C1=C/c1ccc([O-])c(Br)c1 ZINC000078267728 1019475813 /nfs/dbraw/zinc/47/58/13/1019475813.db2.gz HMRXTVVINWNARM-XFFZJAGNSA-N -1 1 316.154 3.647 20 0 DHADMM CC(C)N(Cc1cccnc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000094020610 1019597833 /nfs/dbraw/zinc/59/78/33/1019597833.db2.gz TXLHIHKIFXQMPZ-UHFFFAOYSA-N -1 1 320.392 3.991 20 0 DHADMM Cc1nc(SCc2ncoc2C2CC2)[n-]c(=O)c1C1CC1 ZINC001118927616 1019636238 /nfs/dbraw/zinc/63/62/38/1019636238.db2.gz RYJGZRHXFLDJNH-UHFFFAOYSA-N -1 1 303.387 3.526 20 0 DHADMM O=C([O-])C[C@@H](NCc1cccc(Cl)c1F)c1cccs1 ZINC000166720446 1019813274 /nfs/dbraw/zinc/81/32/74/1019813274.db2.gz WIJJZGPZQPIIED-LLVKDONJSA-N -1 1 313.781 3.846 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2C[C@H]2C(C)C)c1 ZINC000477491463 1032854960 /nfs/dbraw/zinc/85/49/60/1032854960.db2.gz FMDUHRQDTNJJAZ-UWVGGRQHSA-N -1 1 312.207 3.694 20 0 DHADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)ccc2F)c1 ZINC000123793040 1019969905 /nfs/dbraw/zinc/96/99/05/1019969905.db2.gz VWHOQMBIIGRGNF-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM O=C(OCCC(F)(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000730360500 1019979572 /nfs/dbraw/zinc/97/95/72/1019979572.db2.gz IRIATXIKAUNSOG-UHFFFAOYSA-N -1 1 303.063 3.808 20 0 DHADMM CC(C)[C@H]1N(C(=O)c2cncc([O-])c2)CC12CCCCCC2 ZINC001171738147 1032876712 /nfs/dbraw/zinc/87/67/12/1032876712.db2.gz XBDFOYOCXSBKAU-MRXNPFEDSA-N -1 1 302.418 3.608 20 0 DHADMM CC(C)[C@@H]1N(C(=O)c2cncc([O-])c2)CC12CCCCCC2 ZINC001171738146 1032878751 /nfs/dbraw/zinc/87/87/51/1032878751.db2.gz XBDFOYOCXSBKAU-INIZCTEOSA-N -1 1 302.418 3.608 20 0 DHADMM COc1ccccc1CCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111667764 1020148261 /nfs/dbraw/zinc/14/82/61/1020148261.db2.gz DNERNQOODSWJQL-UHFFFAOYSA-N -1 1 305.761 3.626 20 0 DHADMM CCc1ccccc1OCCC(=O)Nc1c([O-])cccc1F ZINC000671784929 1020169019 /nfs/dbraw/zinc/16/90/19/1020169019.db2.gz LIVXCFIKBURMQA-UHFFFAOYSA-N -1 1 303.333 3.501 20 0 DHADMM C[C@]1(C(=O)[O-])CCCN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000086782755 1020174984 /nfs/dbraw/zinc/17/49/84/1020174984.db2.gz WUBMGOYCDQUPKA-AWEZNQCLSA-N -1 1 302.201 3.680 20 0 DHADMM COc1ccc(-c2n[nH]cc2C=CC(=O)c2ccc([O-])cc2)cc1 ZINC000054215989 1020310548 /nfs/dbraw/zinc/31/05/48/1020310548.db2.gz BTCUOLKFWJBDLE-IZZDOVSWSA-N -1 1 320.348 3.687 20 0 DHADMM CCO[C@H](c1nc(-c2ccc([O-])c(F)c2)no1)C1CCCC1 ZINC000866975798 1020483277 /nfs/dbraw/zinc/48/32/77/1020483277.db2.gz CPLYDNGBPNZNHT-AWEZNQCLSA-N -1 1 306.337 3.849 20 0 DHADMM CCCCN(CC)C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC000929235145 1020526566 /nfs/dbraw/zinc/52/65/66/1020526566.db2.gz ZKTWTUVCDUSGSY-UHFFFAOYSA-N -1 1 315.369 3.727 20 0 DHADMM O=C([N-]c1nc(C2CC2)no1)c1cc(F)c(Cl)cc1Cl ZINC000734879103 1020669769 /nfs/dbraw/zinc/66/97/69/1020669769.db2.gz SMBOSDGLBAEMQQ-UHFFFAOYSA-N -1 1 316.119 3.645 20 0 DHADMM O=c1nc(NCCCCc2ccc(Cl)s2)cc(Cl)[n-]1 ZINC000858533491 1032935599 /nfs/dbraw/zinc/93/55/99/1032935599.db2.gz UGOBNLQRODMVRZ-UHFFFAOYSA-N -1 1 318.229 3.985 20 0 DHADMM Cn1cccc1[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000173565641 1020920679 /nfs/dbraw/zinc/92/06/79/1020920679.db2.gz LOLHQIYPHNHSPZ-HNNXBMFYSA-N -1 1 318.804 3.752 20 0 DHADMM O=C(NCCc1cc2ccccc2o1)c1c([O-])cccc1Cl ZINC000740127748 1020928986 /nfs/dbraw/zinc/92/89/86/1020928986.db2.gz FIJWQMAFJOCFJB-UHFFFAOYSA-N -1 1 315.756 3.764 20 0 DHADMM C[C@@H]1CC[C@@]2(CCN(C(=O)c3ncc4ccccc4c3[O-])C2)C1 ZINC000613396737 1020930773 /nfs/dbraw/zinc/93/07/73/1020930773.db2.gz WSQKBBCNQVPBQP-BFUOFWGJSA-N -1 1 310.397 3.593 20 0 DHADMM CCC[C@@H](C)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000740921701 1020964472 /nfs/dbraw/zinc/96/44/72/1020964472.db2.gz ZPIRVFREMAGEFU-LLVKDONJSA-N -1 1 322.405 3.658 20 0 DHADMM Cc1cc(C)cc(CCNC(=O)c2c([O-])cccc2Cl)c1 ZINC000740935795 1020969948 /nfs/dbraw/zinc/96/99/48/1020969948.db2.gz DBJOKOUMPFDWTJ-UHFFFAOYSA-N -1 1 303.789 3.635 20 0 DHADMM O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccccc1[O-] ZINC000176215766 1021106507 /nfs/dbraw/zinc/10/65/07/1021106507.db2.gz CZOOUCNWHXETRO-UHFFFAOYSA-N -1 1 321.336 3.572 20 0 DHADMM Cc1ccc(OC[C@H](C)NC(=O)c2c([O-])cccc2Cl)cc1 ZINC000742822869 1021165209 /nfs/dbraw/zinc/16/52/09/1021165209.db2.gz VDPBLOQONRWAAD-LBPRGKRZSA-N -1 1 319.788 3.551 20 0 DHADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000091010843 1021257912 /nfs/dbraw/zinc/25/79/12/1021257912.db2.gz ZBXBEEYDRAVIFQ-UHFFFAOYSA-N -1 1 323.389 3.722 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c(Cl)c1 ZINC000025366612 1021273649 /nfs/dbraw/zinc/27/36/49/1021273649.db2.gz LHKQSNZQUVAFDU-UHFFFAOYSA-N -1 1 321.829 3.938 20 0 DHADMM CN(c1ccccc1)c1ccc(C=C2SC(=O)[N-]C2=O)cc1 ZINC000106694586 1021277033 /nfs/dbraw/zinc/27/70/33/1021277033.db2.gz IXLFYALJGVCXND-PTNGSMBKSA-N -1 1 310.378 3.778 20 0 DHADMM COc1ccccc1/C(C)=C\C(=O)Nc1c([O-])cccc1F ZINC000743415703 1021289345 /nfs/dbraw/zinc/28/93/45/1021289345.db2.gz JOFWQPGMEDKWCJ-KHPPLWFESA-N -1 1 301.317 3.582 20 0 DHADMM Cc1ccc(O[C@H](C)CNC(=O)c2c([O-])cccc2Cl)cc1 ZINC000743719973 1021354982 /nfs/dbraw/zinc/35/49/82/1021354982.db2.gz FVGVOOYHEUIONH-GFCCVEGCSA-N -1 1 319.788 3.551 20 0 DHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1Cc2ccccc2C1 ZINC000670416716 1021383882 /nfs/dbraw/zinc/38/38/82/1021383882.db2.gz JXRQSHMMZSDXAB-UHFFFAOYSA-N -1 1 307.271 3.567 20 0 DHADMM O=C([N-]c1cnoc1)c1csc(-c2ccccc2Cl)n1 ZINC000589333773 1021426732 /nfs/dbraw/zinc/42/67/32/1021426732.db2.gz WFOUAFMQQAWWRE-UHFFFAOYSA-N -1 1 305.746 3.704 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc(C)cc(C)c2)c1 ZINC000744483284 1021559151 /nfs/dbraw/zinc/55/91/51/1021559151.db2.gz YZOHGPHHUIGKRP-UHFFFAOYSA-N -1 1 312.365 3.611 20 0 DHADMM O=S(=O)(CCC1CCCC1)[N-]c1nccc2ccccc21 ZINC000556277457 1021651725 /nfs/dbraw/zinc/65/17/25/1021651725.db2.gz KUVNIWTXENOYAA-UHFFFAOYSA-N -1 1 304.415 3.557 20 0 DHADMM CCOc1cccc([C@@H](C)NC(=O)c2c([O-])cccc2Cl)c1 ZINC000745189093 1021676855 /nfs/dbraw/zinc/67/68/55/1021676855.db2.gz HUBFFYJZOZWTNZ-LLVKDONJSA-N -1 1 319.788 3.935 20 0 DHADMM Cc1cc(F)c(CN[C@@H](CC(=O)[O-])c2cccs2)c(F)c1 ZINC000644596443 1021776942 /nfs/dbraw/zinc/77/69/42/1021776942.db2.gz YNIPNDXVLXSHQC-ZDUSSCGKSA-N -1 1 311.353 3.640 20 0 DHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C(C)C)c1 ZINC000007056172 1021908746 /nfs/dbraw/zinc/90/87/46/1021908746.db2.gz XQHAHWYEGLKBNP-UHFFFAOYSA-N -1 1 317.410 3.813 20 0 DHADMM Cc1ccc(CCCC(=O)Nc2cc([O-])c(F)cc2F)cc1 ZINC001625892965 1021944613 /nfs/dbraw/zinc/94/46/13/1021944613.db2.gz CFBOQKNMXZUALK-UHFFFAOYSA-N -1 1 305.324 3.940 20 0 DHADMM CCCCCc1nnc([N-]C(=O)c2coc(C3CCC3)n2)s1 ZINC000193823418 1022027048 /nfs/dbraw/zinc/02/70/48/1022027048.db2.gz ATLQXEFHJAUKMX-UHFFFAOYSA-N -1 1 320.418 3.779 20 0 DHADMM C[C@@H](Cc1ccccc1F)NC(=O)c1c([O-])cccc1Cl ZINC000920460204 1022123341 /nfs/dbraw/zinc/12/33/41/1022123341.db2.gz BOFZPGGLNFVPOZ-JTQLQIEISA-N -1 1 307.752 3.546 20 0 DHADMM Cc1ccccc1C[C@@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000920455454 1022123777 /nfs/dbraw/zinc/12/37/77/1022123777.db2.gz GDAWWLWUSVTXPF-GFCCVEGCSA-N -1 1 303.789 3.715 20 0 DHADMM Cc1ccc(C)c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000339121339 1022194367 /nfs/dbraw/zinc/19/43/67/1022194367.db2.gz SBAJYHXOPGRBQU-UHFFFAOYSA-N -1 1 307.353 3.651 20 0 DHADMM O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc([O-])cc1F ZINC000154794348 1022335052 /nfs/dbraw/zinc/33/50/52/1022335052.db2.gz NLJQRRVXJZZOQB-AWEZNQCLSA-N -1 1 321.348 3.637 20 0 DHADMM Cc1nc(C(C)C)oc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678934 1022465263 /nfs/dbraw/zinc/46/52/63/1022465263.db2.gz YFXVBLXIGFITAV-UHFFFAOYSA-N -1 1 312.728 3.857 20 0 DHADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCCC[C@H]1c1ccccc1 ZINC000616328291 1022692091 /nfs/dbraw/zinc/69/20/91/1022692091.db2.gz IXNOBJIQICPIGI-HOTGVXAUSA-N -1 1 310.397 3.586 20 0 DHADMM CN(C(=O)c1cncc([O-])c1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000616328721 1022692262 /nfs/dbraw/zinc/69/22/62/1022692262.db2.gz NVGNRPMJLSYARR-MSOLQXFVSA-N -1 1 310.397 3.586 20 0 DHADMM Cc1cnc(C(=O)N(C)[C@H]2CCCC[C@H]2c2ccccc2)c([O-])c1 ZINC000616329530 1022694332 /nfs/dbraw/zinc/69/43/32/1022694332.db2.gz YTSHLBLBQMNFGO-IRXDYDNUSA-N -1 1 324.424 3.894 20 0 DHADMM COc1ccc2cc([C@H](C)C(=O)[N-]OCC3CCC3)ccc2c1 ZINC000856343412 1022799378 /nfs/dbraw/zinc/79/93/78/1022799378.db2.gz IQOPHNDPIBTDOP-ZDUSSCGKSA-N -1 1 313.397 3.800 20 0 DHADMM O=c1cc(CSc2ncccc2Cl)c2ccc([O-])cc2o1 ZINC000011033720 1022818666 /nfs/dbraw/zinc/81/86/66/1022818666.db2.gz UKAMDANQJKTVIK-UHFFFAOYSA-N -1 1 319.769 3.839 20 0 DHADMM C/C=C\c1ccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)cc1 ZINC000584861274 1022818879 /nfs/dbraw/zinc/81/88/79/1022818879.db2.gz FCNNTNIKTZYFGD-ARJAWSKDSA-N -1 1 321.373 3.668 20 0 DHADMM CC(C)CCc1nnc([N-]C(=O)c2cc(C(C)(C)C)on2)s1 ZINC000617096172 1022844309 /nfs/dbraw/zinc/84/43/09/1022844309.db2.gz IYCYUKRCHPCTFB-UHFFFAOYSA-N -1 1 322.434 3.665 20 0 DHADMM COc1ccccc1C/C(C)=C\C(=O)Nc1ccc(F)cc1[O-] ZINC000768256891 1022933740 /nfs/dbraw/zinc/93/37/40/1022933740.db2.gz BHZPQQSMLJCWGK-BENRWUELSA-N -1 1 315.344 3.667 20 0 DHADMM Cc1ccc(C(C)(C)CNC(=O)c2c([O-])cccc2F)cc1 ZINC000622352780 1023123654 /nfs/dbraw/zinc/12/36/54/1023123654.db2.gz MBBKTXLKEZAFAF-UHFFFAOYSA-N -1 1 301.361 3.547 20 0 DHADMM CCC[C@H](NC(=O)c1c([O-])cccc1Cl)c1ccccn1 ZINC000769766623 1023204839 /nfs/dbraw/zinc/20/48/39/1023204839.db2.gz XWVWSYZXNDJEOU-ZDUSSCGKSA-N -1 1 304.777 3.712 20 0 DHADMM CC[C@@](C)(NC(=O)c1c([O-])cccc1Cl)c1nccs1 ZINC000769905973 1023230460 /nfs/dbraw/zinc/23/04/60/1023230460.db2.gz NJBNSGUVGCFWOY-CQSZACIVSA-N -1 1 310.806 3.557 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N1CC[C@H]1c1cccc(F)c1 ZINC000769924313 1023248994 /nfs/dbraw/zinc/24/89/94/1023248994.db2.gz WRXPNWXDGZITSH-ZDUSSCGKSA-N -1 1 305.736 3.772 20 0 DHADMM C[C@@H](CC(=O)[N-]OCC(F)(F)F)Cc1ccc(Cl)cc1 ZINC000771706252 1023463541 /nfs/dbraw/zinc/46/35/41/1023463541.db2.gz SNAPSKUGWUUUMB-SECBINFHSA-N -1 1 309.715 3.519 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)c(F)c1 ZINC000007428156 1023478361 /nfs/dbraw/zinc/47/83/61/1023478361.db2.gz LYLTUGSASYTOFX-UHFFFAOYSA-N -1 1 305.783 3.650 20 0 DHADMM CN(C)C(=O)Sc1ccc(-c2cccc([O-])c2Cl)nc1 ZINC001242799678 1023609250 /nfs/dbraw/zinc/60/92/50/1023609250.db2.gz XSOBSXITJJVNHF-UHFFFAOYSA-N -1 1 308.790 3.881 20 0 DHADMM O=C(Nc1ccc(Cl)cc1F)c1c(F)ccc([O-])c1F ZINC000538760693 1033164151 /nfs/dbraw/zinc/16/41/51/1033164151.db2.gz FYDVGXFVWIGHKU-UHFFFAOYSA-N -1 1 301.651 3.715 20 0 DHADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000048653044 1023801837 /nfs/dbraw/zinc/80/18/37/1023801837.db2.gz VHDDFDYCLBQGHI-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM C[C@@H]1CCC(C)(C)N1C(=O)c1cc(Br)ccc1[O-] ZINC000662046148 1023868215 /nfs/dbraw/zinc/86/82/15/1023868215.db2.gz PVPARHKWFLQOEM-SECBINFHSA-N -1 1 312.207 3.558 20 0 DHADMM C[C@@H]1CN(Cc2cccc(Cl)c2Cl)CC[C@H]1C(=O)[O-] ZINC000302560967 1023974570 /nfs/dbraw/zinc/97/45/70/1023974570.db2.gz YHAHKQMTASJVTP-MWLCHTKSSA-N -1 1 302.201 3.536 20 0 DHADMM CCc1nc(SC[C@@H]2CC(C)(C)OC2(C)C)[n-]c(=O)c1C ZINC000882177672 1023986407 /nfs/dbraw/zinc/98/64/07/1023986407.db2.gz UNDGAKQVGJLBAB-NSHDSACASA-N -1 1 310.463 3.739 20 0 DHADMM C[C@H]1c2sccc2CCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000882179047 1023988563 /nfs/dbraw/zinc/98/85/63/1023988563.db2.gz IFSMUSOIIQCNOK-JTQLQIEISA-N -1 1 321.829 3.796 20 0 DHADMM Cc1nc(-c2ccc(NCC3(CC4CC4)CC3)nc2)[n-]c(=O)c1C ZINC000882774706 1024129403 /nfs/dbraw/zinc/12/94/03/1024129403.db2.gz VFBACOPWBFABSC-UHFFFAOYSA-N -1 1 324.428 3.853 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cc2cc(F)ccc2o1 ZINC000789930440 1024184551 /nfs/dbraw/zinc/18/45/51/1024184551.db2.gz MDLGTYZVPWZAMV-UHFFFAOYSA-N -1 1 306.680 3.578 20 0 DHADMM C[C@H](CC(=O)Nc1nc(Cl)ccc1[O-])c1cccc(F)c1 ZINC000789930210 1024184666 /nfs/dbraw/zinc/18/46/66/1024184666.db2.gz JBPARCVJSWVQGS-SECBINFHSA-N -1 1 308.740 3.712 20 0 DHADMM C[C@H](CC(=O)Nc1nc(Cl)ccc1[O-])c1ccccc1F ZINC000789930524 1024184754 /nfs/dbraw/zinc/18/47/54/1024184754.db2.gz UWTHWQDHLYHDBG-SECBINFHSA-N -1 1 308.740 3.712 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cc2ccccc2s1 ZINC000789931752 1024197641 /nfs/dbraw/zinc/19/76/41/1024197641.db2.gz MEGCPIBMLPNXFJ-UHFFFAOYSA-N -1 1 304.758 3.908 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])C1(Cc2ccc(F)cc2)CC1 ZINC000790057416 1024214755 /nfs/dbraw/zinc/21/47/55/1024214755.db2.gz WKGOBZAYRDPFHE-UHFFFAOYSA-N -1 1 320.751 3.541 20 0 DHADMM CC(C)c1cc([N-]S(=O)(=O)c2csc3ccccc32)[nH]n1 ZINC000350121160 1024291575 /nfs/dbraw/zinc/29/15/75/1024291575.db2.gz KGNSMUPTYASVMD-UHFFFAOYSA-N -1 1 321.427 3.549 20 0 DHADMM [O-]c1ccc(-c2noc(COCC3CCCC3)n2)c(Cl)c1 ZINC000453168515 1024378201 /nfs/dbraw/zinc/37/82/01/1024378201.db2.gz BXKCDCSDUFMHIX-UHFFFAOYSA-N -1 1 308.765 3.802 20 0 DHADMM O=C([N-]c1cc(-c2ccccc2F)on1)c1nc(Cl)cs1 ZINC000791038411 1024432851 /nfs/dbraw/zinc/43/28/51/1024432851.db2.gz FBZRJBCKOXLHSY-UHFFFAOYSA-N -1 1 323.736 3.843 20 0 DHADMM CCCN(CCc1ccccn1)C(=O)c1cc(Cl)ccc1[O-] ZINC000271347280 1024493319 /nfs/dbraw/zinc/49/33/19/1024493319.db2.gz XDXXVZFKMQSODA-UHFFFAOYSA-N -1 1 318.804 3.536 20 0 DHADMM Cc1cscc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000271403757 1024499298 /nfs/dbraw/zinc/49/92/98/1024499298.db2.gz WCPBSYOZSDHNIU-UHFFFAOYSA-N -1 1 311.428 3.645 20 0 DHADMM O=C(NC1(C2CCC2)CCC1)c1ccc(Br)cc1[O-] ZINC000717855209 1024566091 /nfs/dbraw/zinc/56/60/91/1024566091.db2.gz GHOBWZBCAIFTOQ-UHFFFAOYSA-N -1 1 324.218 3.607 20 0 DHADMM Cc1ccc(F)c(C(=O)Nc2ccc(Br)c([O-])c2)c1 ZINC001320660565 1024580914 /nfs/dbraw/zinc/58/09/14/1024580914.db2.gz FOAHMBIMYDOYOK-UHFFFAOYSA-N -1 1 324.149 3.855 20 0 DHADMM O=C(/C=C\c1ccnc2ccccc12)Nc1c([O-])cccc1F ZINC000760196734 1024703578 /nfs/dbraw/zinc/70/35/78/1024703578.db2.gz PLBRJDCNFMRUFX-HJWRWDBZSA-N -1 1 308.312 3.731 20 0 DHADMM C[C@@H](CN(C)C(=O)c1c(F)ccc([O-])c1F)c1ccccc1 ZINC000348313307 1024950142 /nfs/dbraw/zinc/95/01/42/1024950142.db2.gz XENKLGPLBGTRED-NSHDSACASA-N -1 1 305.324 3.546 20 0 DHADMM O=C([O-])[C@@H]1CCCC[N@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000263386616 1024957340 /nfs/dbraw/zinc/95/73/40/1024957340.db2.gz DBVPNOHEYZAXEN-INIZCTEOSA-N -1 1 301.411 3.854 20 0 DHADMM CCOc1ccc(OC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000825942756 1033258329 /nfs/dbraw/zinc/25/83/29/1033258329.db2.gz JQNDASMIUQRBOV-UHFFFAOYSA-N -1 1 322.744 3.672 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)C(F)(F)Cc1ccccc1 ZINC000793708480 1025152703 /nfs/dbraw/zinc/15/27/03/1025152703.db2.gz GEPOUOIYJQQROR-UHFFFAOYSA-N -1 1 311.715 3.862 20 0 DHADMM CCC[C@H](C)N(C)Cc1ccc(C(=O)[O-])cc1Br ZINC000226720127 1025254433 /nfs/dbraw/zinc/25/44/33/1025254433.db2.gz YBZPFUQYRREWMW-JTQLQIEISA-N -1 1 314.223 3.768 20 0 DHADMM Cc1nc(-c2ccc(NC3CCC=CCC3)nc2)[n-]c(=O)c1C ZINC000884847683 1025251118 /nfs/dbraw/zinc/25/11/18/1025251118.db2.gz HJIUREQIDNPEFD-UHFFFAOYSA-N -1 1 310.401 3.772 20 0 DHADMM C[C@H](NC(=O)c1cccc([O-])c1F)c1c(F)cccc1Cl ZINC001137218402 1025330626 /nfs/dbraw/zinc/33/06/26/1025330626.db2.gz XFYHUFGENIKRMM-QMMMGPOBSA-N -1 1 311.715 3.815 20 0 DHADMM O=C(OCc1ncc(Cl)cc1Cl)c1ccc([O-])cc1F ZINC000777132971 1033278876 /nfs/dbraw/zinc/27/88/76/1033278876.db2.gz ZINTYFHDKFJCFA-UHFFFAOYSA-N -1 1 316.115 3.590 20 0 DHADMM CC(C)CCO[C@@H](C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885673946 1025377878 /nfs/dbraw/zinc/37/78/78/1025377878.db2.gz AEPFYKSEPVEGMK-VIFPVBQESA-N -1 1 303.761 3.574 20 0 DHADMM O=C(CC(F)(F)C(F)(F)F)Nc1cc(F)c([O-])cc1Cl ZINC000885679709 1025380343 /nfs/dbraw/zinc/38/03/43/1025380343.db2.gz FPWJUFNWOPEASK-UHFFFAOYSA-N -1 1 321.604 3.711 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)C1CC2(CC2(F)F)C1 ZINC000885679964 1025381548 /nfs/dbraw/zinc/38/15/48/1025381548.db2.gz JHYCPBVDIILBTF-UHFFFAOYSA-N -1 1 305.683 3.559 20 0 DHADMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1cccc(C2CCC2)c1 ZINC001129759224 1025410567 /nfs/dbraw/zinc/41/05/67/1025410567.db2.gz LEYMCWPFBFKACN-UHFFFAOYSA-N -1 1 323.396 3.581 20 0 DHADMM O=C(CCCC1CCCCC1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000043751397 1025484746 /nfs/dbraw/zinc/48/47/46/1025484746.db2.gz SEROLPPVPUCEAN-UHFFFAOYSA-N -1 1 304.316 3.513 20 0 DHADMM CCc1[nH]ccc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000354722799 1025489912 /nfs/dbraw/zinc/48/99/12/1025489912.db2.gz GNEFJYBHLMBLTD-UHFFFAOYSA-N -1 1 323.190 3.606 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1cccc([C@H]2CCCOC2)c1 ZINC000536590784 1025638741 /nfs/dbraw/zinc/63/87/41/1025638741.db2.gz CJJVIZGFELQTSK-AWEZNQCLSA-N -1 1 315.344 3.678 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC1CCCCCCC1 ZINC000747367519 1026012049 /nfs/dbraw/zinc/01/20/49/1026012049.db2.gz OXXNVZOABGJELX-UHFFFAOYSA-N -1 1 319.449 3.704 20 0 DHADMM CCCCO[C@H]1C[C@H](N(C)C(=O)c2cccc([O-])c2F)C1(C)C ZINC001137234987 1026015797 /nfs/dbraw/zinc/01/57/97/1026015797.db2.gz YPJUQYDDZKVYKK-GJZGRUSLSA-N -1 1 323.408 3.587 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCCCC1CCCC1 ZINC000747412699 1026103405 /nfs/dbraw/zinc/10/34/05/1026103405.db2.gz YOSCCCJAGNPAEA-UHFFFAOYSA-N -1 1 319.449 3.704 20 0 DHADMM CCOC(=O)c1ccc(OC)c(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001211978672 1026106786 /nfs/dbraw/zinc/10/67/86/1026106786.db2.gz CWWWSDXTUNNKFR-UHFFFAOYSA-N -1 1 323.295 3.599 20 0 DHADMM O=C(NCc1cnc(Cl)s1)c1ccc2ccccc2c1[O-] ZINC000808004384 1026175540 /nfs/dbraw/zinc/17/55/40/1026175540.db2.gz NIPXVNJMMMVCTO-UHFFFAOYSA-N -1 1 318.785 3.585 20 0 DHADMM CC1(C)C[C@H](NC(=O)c2c(F)ccc([O-])c2F)c2ccccc21 ZINC000289907275 1026228170 /nfs/dbraw/zinc/22/81/70/1026228170.db2.gz USZWUXYEYLRHSZ-ZDUSSCGKSA-N -1 1 317.335 3.823 20 0 DHADMM C[C@@H](C1CC1)n1nccc1NCc1c([O-])ccc(Cl)c1F ZINC000190933780 1026299914 /nfs/dbraw/zinc/29/99/14/1026299914.db2.gz YLQWGYQLPFYENA-VIFPVBQESA-N -1 1 309.772 3.964 20 0 DHADMM CC1(CC(=O)OCc2cc(=O)oc3cc([O-])ccc23)CCCC1 ZINC000808622713 1026341499 /nfs/dbraw/zinc/34/14/99/1026341499.db2.gz VWGQSALISDFETB-UHFFFAOYSA-N -1 1 316.353 3.512 20 0 DHADMM CCC(CC)[C@@H](CCNC(=O)c1c([O-])cccc1Cl)OC ZINC000747618307 1026805729 /nfs/dbraw/zinc/80/57/29/1026805729.db2.gz WCLRBMSJHZCUOI-CQSZACIVSA-N -1 1 313.825 3.617 20 0 DHADMM CC(C)[C@H]1C[C@H](CC(=O)Nc2ccc([O-])c(Cl)c2)CCO1 ZINC000513744835 1026947239 /nfs/dbraw/zinc/94/72/39/1026947239.db2.gz QELXNMVWHWKJJJ-IAQYHMDHSA-N -1 1 311.809 3.825 20 0 DHADMM O=S(=O)(/C=C\c1ccccc1F)[N-]c1cc(C2CC2)ccn1 ZINC000811838151 1027096660 /nfs/dbraw/zinc/09/66/60/1027096660.db2.gz WBUWNPZUJMFFEO-NTMALXAHSA-N -1 1 318.373 3.511 20 0 DHADMM CN(CC(C)(C)C)C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC000931609337 1027186897 /nfs/dbraw/zinc/18/68/97/1027186897.db2.gz CZADMXPFXHUJFS-UHFFFAOYSA-N -1 1 315.369 3.583 20 0 DHADMM C[C@H]1C[C@@H](c2cccc(F)c2)N(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000573379522 1027284971 /nfs/dbraw/zinc/28/49/71/1027284971.db2.gz KQTYIOHWVPRWDB-SJCJKPOMSA-N -1 1 314.360 3.502 20 0 DHADMM COc1ccc(C(=O)Nc2ccc(-c3ncco3)cc2C)c([O-])c1 ZINC000574945170 1027441024 /nfs/dbraw/zinc/44/10/24/1027441024.db2.gz VTGBBCVHPPOGGF-UHFFFAOYSA-N -1 1 324.336 3.617 20 0 DHADMM Cc1cc(C([O-])=C[S@](=O)C(C)(C)c2ccccc2)c(C)n1C ZINC000562580244 1027511372 /nfs/dbraw/zinc/51/13/72/1027511372.db2.gz NXPKOUXEMAMDLU-QFIPXVFZSA-N -1 1 317.454 3.509 20 0 DHADMM C[C@H]1C[C@@H](c2ccccc2F)N(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000576405177 1027613723 /nfs/dbraw/zinc/61/37/23/1027613723.db2.gz FYWMPMGDPKGUQG-SJCJKPOMSA-N -1 1 314.360 3.502 20 0 DHADMM O=c1[n-]c(-c2nnc(-c3ccccc3)o2)nc2cc(Cl)ccc12 ZINC000504503968 1027635137 /nfs/dbraw/zinc/63/51/37/1027635137.db2.gz WJXWYBDYWCOVNL-UHFFFAOYSA-N -1 1 324.727 3.706 20 0 DHADMM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)[N@H+]1Cc1csc(C2CCCC2)n1 ZINC000577412720 1027764777 /nfs/dbraw/zinc/76/47/77/1027764777.db2.gz WFSKPDJEWOUSRT-XUJVJEKNSA-N -1 1 322.474 3.874 20 0 DHADMM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1csc(C2CCCC2)n1 ZINC000577412720 1027764792 /nfs/dbraw/zinc/76/47/92/1027764792.db2.gz WFSKPDJEWOUSRT-XUJVJEKNSA-N -1 1 322.474 3.874 20 0 DHADMM CO[C@@]1(C)CCCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000366569698 1028098702 /nfs/dbraw/zinc/09/87/02/1028098702.db2.gz ZTDOQBQWPFBEOD-IBGZPJMESA-N -1 1 313.397 3.577 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CN1CCC[C@H]1c1cccc(F)c1 ZINC000578241987 1028099981 /nfs/dbraw/zinc/09/99/81/1028099981.db2.gz DZNOQUUDVZUSOS-HNNXBMFYSA-N -1 1 303.333 3.762 20 0 DHADMM Cc1cccc([C@H]2C[C@H](NC(=O)c3c(F)ccc([O-])c3F)C2)c1 ZINC000368583246 1028377268 /nfs/dbraw/zinc/37/72/68/1028377268.db2.gz HWVDMOOLLFUKQJ-JOCQHMNTSA-N -1 1 317.335 3.655 20 0 DHADMM Cc1noc([C@H]([N-]c2nc3ccccc3o2)c2ccccc2)n1 ZINC000368942975 1028428409 /nfs/dbraw/zinc/42/84/09/1028428409.db2.gz RVGLQSBSBBWWHW-OAHLLOKOSA-N -1 1 306.325 3.721 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)C=C2CCCC2)c1 ZINC000778447987 1028504178 /nfs/dbraw/zinc/50/41/78/1028504178.db2.gz IIFGIBXDLDUPEN-UHFFFAOYSA-N -1 1 310.191 3.902 20 0 DHADMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(Cl)s1)C(C)(C)C ZINC001257508090 1028537059 /nfs/dbraw/zinc/53/70/59/1028537059.db2.gz HTZMWRWGYLTUEM-ZCFIWIBFSA-N -1 1 316.275 3.768 20 0 DHADMM COC(=O)c1ccc(C(=O)Oc2ccc(C3CC3)cc2Cl)[n-]1 ZINC000816216986 1028771164 /nfs/dbraw/zinc/77/11/64/1028771164.db2.gz HIYUVIVBQAGQLE-UHFFFAOYSA-N -1 1 319.744 3.551 20 0 DHADMM CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1c(F)ccc([O-])c1F ZINC000628464434 1029063998 /nfs/dbraw/zinc/06/39/98/1029063998.db2.gz WBZVRODXTKBDTE-HOCLYGCPSA-N -1 1 317.335 3.592 20 0 DHADMM CC(C)C[C@H](C(=O)[N-]OCCC(F)(F)F)c1ccccc1 ZINC000779326238 1029095170 /nfs/dbraw/zinc/09/51/70/1029095170.db2.gz JLBPHNZVMQHFDV-ZDUSSCGKSA-N -1 1 303.324 3.817 20 0 DHADMM CC[C@@H](C(=O)[N-]OCC1CC1)c1cccc(C(F)(F)F)c1 ZINC000817368677 1029137717 /nfs/dbraw/zinc/13/77/17/1029137717.db2.gz YPSFMPRPJIXPRB-CYBMUJFWSA-N -1 1 301.308 3.657 20 0 DHADMM C[C@@H](C(=O)[N-]OCCC1CC1)c1ccc(Cl)c(Cl)c1 ZINC000817416813 1029155026 /nfs/dbraw/zinc/15/50/26/1029155026.db2.gz WDZVEOFTLHPSTM-SECBINFHSA-N -1 1 302.201 3.945 20 0 DHADMM O=C(Nc1ccccc1Oc1ccccc1)c1ccc([O-])cn1 ZINC001135920975 1029159982 /nfs/dbraw/zinc/15/99/82/1029159982.db2.gz CQERITKLVZIDMH-UHFFFAOYSA-N -1 1 306.321 3.832 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CN(C)Cc1cccc(OC(C)C)c1 ZINC000569230892 1029199488 /nfs/dbraw/zinc/19/94/88/1029199488.db2.gz WNTYOCQSIULHGH-UHFFFAOYSA-N -1 1 317.385 3.705 20 0 DHADMM O=c1cc(C(F)F)nc(SCc2ccccc2OC2CC2)[n-]1 ZINC000629183148 1029266082 /nfs/dbraw/zinc/26/60/82/1029266082.db2.gz IKJRLSDLAQLDHD-UHFFFAOYSA-N -1 1 324.352 3.953 20 0 DHADMM CCc1nc(SC2CC(Oc3ccccc3)C2)[n-]c(=O)c1C ZINC000629183643 1029268566 /nfs/dbraw/zinc/26/85/66/1029268566.db2.gz AJOGZOPJYBGDCT-UHFFFAOYSA-N -1 1 316.426 3.755 20 0 DHADMM C[C@@H]1CN(Cc2c(Cl)cccc2C(=O)[O-])C[C@H](C)C1(F)F ZINC000629365427 1029310457 /nfs/dbraw/zinc/31/04/57/1029310457.db2.gz WUYUIOROYQAXLQ-AOOOYVTPSA-N -1 1 317.763 3.761 20 0 DHADMM O=C(NCC1(C(F)(F)F)CCCC1)c1c(F)ccc([O-])c1F ZINC000629470308 1029340449 /nfs/dbraw/zinc/34/04/49/1029340449.db2.gz YJRQUBYIJPPZTM-UHFFFAOYSA-N -1 1 323.261 3.523 20 0 DHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)[C@@H]1CCC(=O)C1 ZINC000529539081 1029377997 /nfs/dbraw/zinc/37/79/97/1029377997.db2.gz PHIIPBZOSUKRCL-SECBINFHSA-N -1 1 303.745 3.507 20 0 DHADMM C[C@]12CCCC[C@H]1CN2C(=O)c1ccc(Br)cc1[O-] ZINC000629617704 1029386781 /nfs/dbraw/zinc/38/67/81/1029386781.db2.gz ZLFQULKLQZDJIR-BONVTDFDSA-N -1 1 324.218 3.559 20 0 DHADMM C[C@@H]1C[C@@H](C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CO1 ZINC000529538327 1029398174 /nfs/dbraw/zinc/39/81/74/1029398174.db2.gz AHADRFKNUISQPZ-NXEZZACHSA-N -1 1 305.761 3.562 20 0 DHADMM O=S(=O)([N-]c1cccc(Cl)c1Cl)c1ccccc1F ZINC000007405319 1029481548 /nfs/dbraw/zinc/48/15/48/1029481548.db2.gz GWDWPCOKMWOWMX-UHFFFAOYSA-N -1 1 320.172 3.933 20 0 DHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(C2CC2)cc1 ZINC001136190331 1029494232 /nfs/dbraw/zinc/49/42/32/1029494232.db2.gz AQPZEOCRGTVRHI-UHFFFAOYSA-N -1 1 319.364 3.912 20 0 DHADMM O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc([O-])cn1 ZINC001136236371 1029589677 /nfs/dbraw/zinc/58/96/77/1029589677.db2.gz UQYWZRYBIQIJJU-UHFFFAOYSA-N -1 1 304.305 3.939 20 0 DHADMM CC[C@@H](C(=O)n1[n-]c(=O)c2ccc(OC)cc21)c1ccccc1 ZINC000819950935 1029631270 /nfs/dbraw/zinc/63/12/70/1029631270.db2.gz NIVSOSMRFCFRGW-CQSZACIVSA-N -1 1 310.353 3.585 20 0 DHADMM CCN(C(=O)c1cccc([O-])c1F)[C@@H](C)c1ccc(F)cc1 ZINC001136315760 1029702982 /nfs/dbraw/zinc/70/29/82/1029702982.db2.gz JEYPWWYHVYWVRS-NSHDSACASA-N -1 1 305.324 3.894 20 0 DHADMM Nc1nc2ccc(Nc3cc([O-])c(F)c(F)c3F)cc2s1 ZINC001159821681 1029734808 /nfs/dbraw/zinc/73/48/08/1029734808.db2.gz BCAGNYGYFWOPDC-UHFFFAOYSA-N -1 1 311.288 3.745 20 0 DHADMM O=C(Nc1cccc(COc2ccccc2)c1)c1ccc([O-])cn1 ZINC001136350069 1029742506 /nfs/dbraw/zinc/74/25/06/1029742506.db2.gz XMADSZCLLACQRB-UHFFFAOYSA-N -1 1 320.348 3.619 20 0 DHADMM Cc1cccc(C)c1CS(=O)(=O)[N-]c1ncccc1C(C)C ZINC000450981959 1029759270 /nfs/dbraw/zinc/75/92/70/1029759270.db2.gz BEJMCMVATIQBAB-UHFFFAOYSA-N -1 1 318.442 3.764 20 0 DHADMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1csc(C2CCCC2)n1 ZINC000530173657 1029773344 /nfs/dbraw/zinc/77/33/44/1029773344.db2.gz GTZCGYVHDVGQGY-DABQJJPHSA-N -1 1 322.474 3.874 20 0 DHADMM O=C(N[C@@H]1CCc2c1cccc2Cl)c1cc(F)ccc1[O-] ZINC001136386292 1029774870 /nfs/dbraw/zinc/77/48/70/1029774870.db2.gz BAGJWJKUGOHGIF-CQSZACIVSA-N -1 1 305.736 3.602 20 0 DHADMM C[C@H]1CCC[C@H](CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC001136405646 1029799064 /nfs/dbraw/zinc/79/90/64/1029799064.db2.gz VPHKQLWBDJEGDV-QWRGUYRKSA-N -1 1 315.335 3.967 20 0 DHADMM C[C@@H]1CCC[C@H](CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC001136405645 1029798840 /nfs/dbraw/zinc/79/88/40/1029798840.db2.gz VPHKQLWBDJEGDV-MNOVXSKESA-N -1 1 315.335 3.967 20 0 DHADMM CCCCCOc1ccc(C=Cc2ncc(OC)c(=O)[n-]2)cc1 ZINC000821008957 1029804740 /nfs/dbraw/zinc/80/47/40/1029804740.db2.gz VEFBEHVKFXYQNK-DHZHZOJOSA-N -1 1 314.385 3.930 20 0 DHADMM Cc1cccc([N-]S(=O)(=O)c2ccc3onc(Cl)c3c2)c1 ZINC000821115740 1029810090 /nfs/dbraw/zinc/81/00/90/1029810090.db2.gz BBCLMRLJBODEMB-UHFFFAOYSA-N -1 1 322.773 3.590 20 0 DHADMM O=C(Nc1nc2c(s1)CCCCC2)c1ccc([O-])cc1F ZINC001136513527 1029895169 /nfs/dbraw/zinc/89/51/69/1029895169.db2.gz BBRRMDXEIOVGTK-UHFFFAOYSA-N -1 1 306.362 3.509 20 0 DHADMM Cc1cccc([C@H]2CCN(C(=O)c3c(F)ccc([O-])c3F)C2)c1 ZINC000290298852 1029985110 /nfs/dbraw/zinc/98/51/10/1029985110.db2.gz BBIRPOJZLOYVPI-ZDUSSCGKSA-N -1 1 317.335 3.609 20 0 DHADMM O=C1Nc2ccc(Cl)cc2/C1=C/c1c(F)ccc([O-])c1F ZINC000794925777 1030330517 /nfs/dbraw/zinc/33/05/17/1030330517.db2.gz CXEQDDBLSNXTOQ-TWGQIWQCSA-N -1 1 307.683 3.817 20 0 DHADMM O=C(NCCOC1CCCCCC1)c1cc(Cl)ccc1[O-] ZINC001136804950 1030450651 /nfs/dbraw/zinc/45/06/51/1030450651.db2.gz PIYKTZUREVYBHD-UHFFFAOYSA-N -1 1 311.809 3.515 20 0 DHADMM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(F)c([O-])c1 ZINC001136827800 1030480855 /nfs/dbraw/zinc/48/08/55/1030480855.db2.gz JINZYXUXRFIHDP-SMDDNHRTSA-N -1 1 317.335 3.689 20 0 DHADMM CC[C@@](C)(NC(=O)c1cc(Cl)ccc1[O-])c1nc(C)cs1 ZINC001136836908 1030496095 /nfs/dbraw/zinc/49/60/95/1030496095.db2.gz QPXQCTSIEVNJQW-OAHLLOKOSA-N -1 1 324.833 3.866 20 0 DHADMM CCCC(CCC)c1ccc(OS(=O)(=O)c2c[n-]cn2)cc1 ZINC001212044953 1030714869 /nfs/dbraw/zinc/71/48/69/1030714869.db2.gz CDQRVPKAAJISQK-UHFFFAOYSA-N -1 1 322.430 3.861 20 0 DHADMM Cc1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)n(C(C)(C)C)n1 ZINC000558925220 1030945003 /nfs/dbraw/zinc/94/50/03/1030945003.db2.gz ZGJLHPFYNUQBAD-UHFFFAOYSA-N -1 1 322.796 3.950 20 0 DHADMM Cc1c(F)cccc1-c1ccc(CN[C@@H](CC(C)C)C(=O)[O-])o1 ZINC000262723644 1031138130 /nfs/dbraw/zinc/13/81/30/1031138130.db2.gz XITCIPWKTVYOTF-INIZCTEOSA-N -1 1 319.376 3.983 20 0 DHADMM C[C@@H](C(=O)[N-]OCCCC(F)(F)F)c1cccc(Cl)c1 ZINC000871212870 1031162231 /nfs/dbraw/zinc/16/22/31/1031162231.db2.gz HIQYRQJKVKFNIR-SECBINFHSA-N -1 1 309.715 3.834 20 0 DHADMM O=S(=O)(Cc1ccc(Cl)cc1)[N-]c1cc(C2CC2)ccn1 ZINC000844827299 1031367444 /nfs/dbraw/zinc/36/74/44/1031367444.db2.gz ASWFJGVFHOSGAK-UHFFFAOYSA-N -1 1 322.817 3.554 20 0 DHADMM CC(C)CN(Cc1ccccn1)C(=O)c1c([O-])cccc1Cl ZINC000928741085 1031374510 /nfs/dbraw/zinc/37/45/10/1031374510.db2.gz SAGAVZNIPJMVMM-UHFFFAOYSA-N -1 1 318.804 3.739 20 0 DHADMM O=c1c2c([n-]n1[C@H]1CCOC3(CCCC3)C1)CCCCCC2 ZINC000871964770 1031389209 /nfs/dbraw/zinc/38/92/09/1031389209.db2.gz ZPDUBXKXFQIFRR-GJZGRUSLSA-N -1 1 304.434 3.647 20 0 DHADMM CO[C@@H]1CCCC[C@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000293322796 1031426566 /nfs/dbraw/zinc/42/65/66/1031426566.db2.gz YEPSHHAUFGJXSP-DGCLKSJQSA-N -1 1 308.765 3.768 20 0 DHADMM CO[C@H]1CCCC[C@@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000293321134 1031427775 /nfs/dbraw/zinc/42/77/75/1031427775.db2.gz YEPSHHAUFGJXSP-AAEUAGOBSA-N -1 1 308.765 3.768 20 0 DHADMM [O-]c1cccc(CNc2ccc(O[C@@H]3CCOC3)cc2)c1Cl ZINC000293499843 1031490345 /nfs/dbraw/zinc/49/03/45/1031490345.db2.gz HEILFDYHDPDFGJ-OAHLLOKOSA-N -1 1 319.788 3.825 20 0 DHADMM C[C@@H](c1ccc(Cl)cc1)N1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1 ZINC000872168108 1031547697 /nfs/dbraw/zinc/54/76/97/1031547697.db2.gz ODUAFEHTWQVHCG-UWJYBYFXSA-N -1 1 321.726 3.596 20 0 DHADMM C[C@H](CC(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1)c1ccccc1 ZINC001144419146 1031572631 /nfs/dbraw/zinc/57/26/31/1031572631.db2.gz CWKURNYYDBPLFM-CQSZACIVSA-N -1 1 321.380 3.710 20 0 DHADMM Cc1ccc([C@H](C)C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC001144444856 1031599844 /nfs/dbraw/zinc/59/98/44/1031599844.db2.gz DFPNCMPTIIQHPH-AWEZNQCLSA-N -1 1 321.380 3.629 20 0 DHADMM COc1ccccc1S(=O)(=O)[N-]c1ccc(C2CC2)cc1F ZINC000872406862 1031600889 /nfs/dbraw/zinc/60/08/89/1031600889.db2.gz UYGZSQSAWGHLSN-UHFFFAOYSA-N -1 1 321.373 3.513 20 0 DHADMM COc1ccc(C2CC2)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000872414856 1031603015 /nfs/dbraw/zinc/60/30/15/1031603015.db2.gz RCLXXJRZPCZRGF-UHFFFAOYSA-N -1 1 317.410 3.682 20 0 DHADMM O=C(NCc1ccc([O-])c(Cl)c1)N[C@H]1CCCc2occc21 ZINC000872821325 1031667566 /nfs/dbraw/zinc/66/75/66/1031667566.db2.gz TVTCHBRVNLKFSR-ZDUSSCGKSA-N -1 1 320.776 3.515 20 0 DHADMM CC(C)c1nc(CN(C)Cc2c(F)cc([O-])cc2F)cs1 ZINC001144558769 1031711304 /nfs/dbraw/zinc/71/13/04/1031711304.db2.gz CXVOPMQHSRKGFH-UHFFFAOYSA-N -1 1 312.385 3.882 20 0 DHADMM [O-]c1cc(F)c(CN2CCc3cc(F)c(F)cc3C2)cc1F ZINC001144664160 1031801880 /nfs/dbraw/zinc/80/18/80/1031801880.db2.gz XRCADBGBFDGINE-UHFFFAOYSA-N -1 1 311.278 3.507 20 0 DHADMM CN(Cc1cc(F)c([O-])cc1F)[C@H](C1CCC1)C(F)(F)F ZINC001144659404 1031811367 /nfs/dbraw/zinc/81/13/67/1031811367.db2.gz HUEULZYSNPVUQR-CYBMUJFWSA-N -1 1 309.278 3.833 20 0 DHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC2(CCC2)[C@H]1C1CC1 ZINC000897799855 1031842759 /nfs/dbraw/zinc/84/27/59/1031842759.db2.gz RLZMUIIZCQTKHG-GOSISDBHSA-N -1 1 323.392 3.656 20 0 DHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000897908263 1031877769 /nfs/dbraw/zinc/87/77/69/1031877769.db2.gz FCRZKESRTBSVMN-ZWKOTPCHSA-N -1 1 323.392 3.512 20 0 DHADMM CC(C)[C@@H]1CCC[C@H](NC(=O)c2ncc3ccccc3c2[O-])C1 ZINC001144746226 1031931676 /nfs/dbraw/zinc/93/16/76/1031931676.db2.gz WEPDDYVCEPXUOG-HIFRSBDPSA-N -1 1 312.413 3.885 20 0 DHADMM CSc1cccnc1NC(=O)c1cc2ccccc2cc1[O-] ZINC001144820471 1031985115 /nfs/dbraw/zinc/98/51/15/1031985115.db2.gz HZIMSMJSTKISKH-UHFFFAOYSA-N -1 1 310.378 3.915 20 0 DHADMM Cc1ccccc1C[C@H](C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001142545895 1031995513 /nfs/dbraw/zinc/99/55/13/1031995513.db2.gz LXSBPNTUCQNZJC-NSHDSACASA-N -1 1 305.324 3.796 20 0 DHADMM CC[C@H]1CCCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000044490597 1032050631 /nfs/dbraw/zinc/05/06/31/1032050631.db2.gz NZSTZBKJANTTBZ-NSHDSACASA-N -1 1 312.207 3.559 20 0 DHADMM C[C@@H]1CN(Cc2cccc([O-])c2Cl)CC[C@@H](C(F)(F)F)O1 ZINC000877823271 1033473691 /nfs/dbraw/zinc/47/36/91/1033473691.db2.gz WCBQTJSGTPTXQY-SKDRFNHKSA-N -1 1 323.742 3.587 20 0 DHADMM COc1cc([N-]S(=O)(=O)c2cc(F)ccc2C)c(C)cc1C ZINC000478711704 1033560029 /nfs/dbraw/zinc/56/00/29/1033560029.db2.gz UXUAWTLQMPBZIG-UHFFFAOYSA-N -1 1 323.389 3.560 20 0 DHADMM O=C(c1ncccc1[O-])N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000153788595 1033595214 /nfs/dbraw/zinc/59/52/14/1033595214.db2.gz MYPQBTWABWYMFN-MRXNPFEDSA-N -1 1 321.380 3.636 20 0 DHADMM O=C(CC1CCC(F)(F)CC1)Nc1nc(Cl)ccc1[O-] ZINC000861249989 1033618850 /nfs/dbraw/zinc/61/88/50/1033618850.db2.gz FJYFHAVCBTUHAI-UHFFFAOYSA-N -1 1 304.724 3.595 20 0 DHADMM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000479507130 1033789012 /nfs/dbraw/zinc/78/90/12/1033789012.db2.gz WKZINDKDFMVNIL-UHFFFAOYSA-N -1 1 322.386 3.545 20 0 DHADMM O=C(NCCC1CCC(F)(F)CC1)c1c(F)ccc([O-])c1F ZINC000890058741 1033809727 /nfs/dbraw/zinc/80/97/27/1033809727.db2.gz PZIJOBFGBNYFIT-UHFFFAOYSA-N -1 1 319.298 3.616 20 0 DHADMM O=c1oc2cc([O-])ccc2cc1Nc1cnc2ccccc2c1 ZINC001174002085 1034031694 /nfs/dbraw/zinc/03/16/94/1034031694.db2.gz NHGNHDQNCCCXDN-UHFFFAOYSA-N -1 1 304.305 3.790 20 0 DHADMM CCc1ccc(C(C)(C)CNC(=O)c2ccc([O-])cc2F)cc1 ZINC001137147550 1034147419 /nfs/dbraw/zinc/14/74/19/1034147419.db2.gz WENKUECIHKPZHB-UHFFFAOYSA-N -1 1 315.388 3.801 20 0 DHADMM O=C(c1cccc(Nc2c([O-])cc(F)cc2F)c1)N1CCCC1 ZINC001174170702 1034193881 /nfs/dbraw/zinc/19/38/81/1034193881.db2.gz ZHVBEGKGFAAXGY-UHFFFAOYSA-N -1 1 318.323 3.650 20 0 DHADMM CCCCNC(=O)c1cccc(Nc2c([O-])cc(F)cc2F)c1 ZINC001174189917 1034208686 /nfs/dbraw/zinc/20/86/86/1034208686.db2.gz OOBWBMQBFDPLSX-UHFFFAOYSA-N -1 1 320.339 3.944 20 0 DHADMM CC(C)CNC(=O)c1cccc(Nc2ccnc(Cl)c2[O-])c1 ZINC001174193279 1034212773 /nfs/dbraw/zinc/21/27/73/1034212773.db2.gz MGSRTXMVZZVYSI-UHFFFAOYSA-N -1 1 319.792 3.570 20 0 DHADMM Cc1n[nH]c(C)c1Nc1cc(Br)cc(Cl)c1[O-] ZINC001174217246 1034228364 /nfs/dbraw/zinc/22/83/64/1034228364.db2.gz JWBARMTXDYVWPA-UHFFFAOYSA-N -1 1 316.586 3.892 20 0 DHADMM Cc1cccc(CO[N-]C(=O)C[C@@H](C)c2c[nH]c3ccccc32)n1 ZINC000898932831 1034334793 /nfs/dbraw/zinc/33/47/93/1034334793.db2.gz SSHURGTWRVCABZ-CYBMUJFWSA-N -1 1 323.396 3.613 20 0 DHADMM Cc1cccc(CO[N-]C(=O)C[C@H](C)c2c[nH]c3ccccc32)n1 ZINC000898932832 1034335346 /nfs/dbraw/zinc/33/53/46/1034335346.db2.gz SSHURGTWRVCABZ-ZDUSSCGKSA-N -1 1 323.396 3.613 20 0 DHADMM CNC(=O)c1ccc(Nc2ccc(Cl)c(Cl)c2[O-])cc1 ZINC001174514726 1034473167 /nfs/dbraw/zinc/47/31/67/1034473167.db2.gz GSFCSZQFBVIIPO-UHFFFAOYSA-N -1 1 311.168 3.802 20 0 DHADMM CCNC(=O)Nc1ccc(Nc2c([O-])cc(F)cc2F)cc1 ZINC001174520150 1034475886 /nfs/dbraw/zinc/47/58/86/1034475886.db2.gz GTYNPDNNPNJFAR-UHFFFAOYSA-N -1 1 307.300 3.555 20 0 DHADMM [O-]c1c(Br)c(F)ccc1Nc1ccc(O)c(F)c1 ZINC001174740681 1034590125 /nfs/dbraw/zinc/59/01/25/1034590125.db2.gz FXCLLENZUSALCG-UHFFFAOYSA-N -1 1 316.101 3.882 20 0 DHADMM O=c1cc(CC2CC2)[n-]n1-c1ccc(OCC(F)(F)F)cc1 ZINC000899349850 1034595621 /nfs/dbraw/zinc/59/56/21/1034595621.db2.gz ONPHHOMSIZTRGX-UHFFFAOYSA-N -1 1 312.291 3.521 20 0 DHADMM CCc1cc(=O)n(-c2ccc(Cl)c(Br)c2)[n-]1 ZINC000899363957 1034599630 /nfs/dbraw/zinc/59/96/30/1034599630.db2.gz WJEIAJARSFGXPJ-UHFFFAOYSA-N -1 1 301.571 3.605 20 0 DHADMM O=c1ccn(-c2ccc(Nc3cncc(C(F)(F)F)c3)cc2)[n-]1 ZINC001174746575 1034605779 /nfs/dbraw/zinc/60/57/79/1034605779.db2.gz HGSLJBCJUFZUHF-UHFFFAOYSA-N -1 1 320.274 3.735 20 0 DHADMM Cc1nc(SCc2coc(C3CC3)n2)[n-]c(=O)c1C1CC1 ZINC000865373124 1034613429 /nfs/dbraw/zinc/61/34/29/1034613429.db2.gz GUJMXLWNNIXTCO-UHFFFAOYSA-N -1 1 303.387 3.526 20 0 DHADMM CC(C)OC(=O)c1cccc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001174918174 1034682571 /nfs/dbraw/zinc/68/25/71/1034682571.db2.gz VYONGWRGFZWPJH-UHFFFAOYSA-N -1 1 307.296 3.979 20 0 DHADMM CCOc1cc(Nc2cc3ccc([O-])cc3oc2=O)ccc1F ZINC001175050652 1034774609 /nfs/dbraw/zinc/77/46/09/1034774609.db2.gz WNMASUJBXLAKAB-UHFFFAOYSA-N -1 1 315.300 3.780 20 0 DHADMM CCOc1ccc(C)cc1Nc1cc2ccc([O-])cc2oc1=O ZINC001175124044 1034828057 /nfs/dbraw/zinc/82/80/57/1034828057.db2.gz QFXREECPYZTQAN-UHFFFAOYSA-N -1 1 311.337 3.949 20 0 DHADMM Cc1ccc2n[nH]cc2c1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001175527924 1035028838 /nfs/dbraw/zinc/02/88/38/1035028838.db2.gz WYAMUEIDONXRSX-UHFFFAOYSA-N -1 1 305.341 3.506 20 0 DHADMM COc1ccc(Nc2c(Cl)ccc([O-])c2Cl)c(OC)n1 ZINC001175588011 1035033041 /nfs/dbraw/zinc/03/30/41/1035033041.db2.gz XBLMKNFRXFCEPT-UHFFFAOYSA-N -1 1 315.156 3.855 20 0 DHADMM COc1cc(Nc2cc(Cl)cc(Cl)c2[O-])c(F)cn1 ZINC001175691714 1035085864 /nfs/dbraw/zinc/08/58/64/1035085864.db2.gz ASRJSYXUVXWJGA-UHFFFAOYSA-N -1 1 303.120 3.985 20 0 DHADMM CCCc1ccc(Nc2cc(S(=O)(=O)CC)ccc2[O-])cc1 ZINC001175717993 1035091019 /nfs/dbraw/zinc/09/10/19/1035091019.db2.gz BGHHDPLQCNBKTG-UHFFFAOYSA-N -1 1 319.426 3.882 20 0 DHADMM CC(=O)OCc1cccc(C)c1Nc1c([O-])cc(F)cc1F ZINC001212771586 1035135064 /nfs/dbraw/zinc/13/50/64/1035135064.db2.gz ZKCSFHNKYOHCMU-UHFFFAOYSA-N -1 1 307.296 3.786 20 0 DHADMM CSc1nc(Nc2ccc(-c3cccnc3)cc2)cc(=O)[n-]1 ZINC001175887783 1035140582 /nfs/dbraw/zinc/14/05/82/1035140582.db2.gz PFSUYJMBCNIAQV-UHFFFAOYSA-N -1 1 310.382 3.710 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CC[C@@H](C)C2)c1 ZINC000482608734 1035144978 /nfs/dbraw/zinc/14/49/78/1035144978.db2.gz WFHWGMHEWAWNPO-SCZZXKLOSA-N -1 1 312.207 3.838 20 0 DHADMM CC[C@]1(C)C[C@H]1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000482696930 1035162928 /nfs/dbraw/zinc/16/29/28/1035162928.db2.gz SDRZLRKQJNHMLE-LKFCYVNXSA-N -1 1 312.207 3.838 20 0 DHADMM Cc1ccc(Nc2cc3ccc([O-])cc3oc2=O)c(F)c1F ZINC001176094480 1035194895 /nfs/dbraw/zinc/19/48/95/1035194895.db2.gz HNDABWPZJWUMIX-UHFFFAOYSA-N -1 1 303.264 3.829 20 0 DHADMM O=C1Cc2cc(Nc3cc(Cl)cc(Cl)c3[O-])ccc2N1 ZINC001176428800 1035262515 /nfs/dbraw/zinc/26/25/15/1035262515.db2.gz QNFRGRWIGFXKCC-UHFFFAOYSA-N -1 1 309.152 3.937 20 0 DHADMM Fc1cc([N-]c2nnc(-c3ccco3)o2)cc(N2CCCC2)c1 ZINC001176416982 1035268441 /nfs/dbraw/zinc/26/84/41/1035268441.db2.gz JEAKRUFDPNKQLY-UHFFFAOYSA-N -1 1 314.320 3.813 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ccnc(Br)c2)c1F ZINC001176664083 1035308963 /nfs/dbraw/zinc/30/89/63/1035308963.db2.gz SSADPVLAVKPVAK-UHFFFAOYSA-N -1 1 319.080 3.711 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cncc(C(F)(F)F)c2)c1F ZINC001176664840 1035309041 /nfs/dbraw/zinc/30/90/41/1035309041.db2.gz VOPQMCPJLKRZFF-UHFFFAOYSA-N -1 1 308.181 3.967 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cncc(Br)c2)c1F ZINC001176664365 1035309387 /nfs/dbraw/zinc/30/93/87/1035309387.db2.gz WHHDXCBUIHWRME-UHFFFAOYSA-N -1 1 319.080 3.711 20 0 DHADMM COC(=O)c1ccc(Nc2c(F)cc(F)c([O-])c2F)c(C)c1 ZINC001176670125 1035310668 /nfs/dbraw/zinc/31/06/68/1035310668.db2.gz SPGNWDLBKAMXBD-UHFFFAOYSA-N -1 1 311.259 3.648 20 0 DHADMM Nc1cc(F)cc(Nc2c(F)cc(F)c([O-])c2F)c1Cl ZINC001176673037 1035311601 /nfs/dbraw/zinc/31/16/01/1035311601.db2.gz RPGYHVFYFQKPTL-UHFFFAOYSA-N -1 1 306.646 3.928 20 0 DHADMM COc1cc(Nc2c(F)cc(F)c([O-])c2F)cc(Cl)n1 ZINC001176662950 1035317739 /nfs/dbraw/zinc/31/77/39/1035317739.db2.gz DRHITIVTGXKKDT-UHFFFAOYSA-N -1 1 304.655 3.610 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cncc(N3CCCCC3)c2)c1F ZINC001176663337 1035317940 /nfs/dbraw/zinc/31/79/40/1035317940.db2.gz FPSQEHDRUAZINI-UHFFFAOYSA-N -1 1 323.318 3.938 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ccnn2-c2ccccc2F)c1F ZINC001176662960 1035318195 /nfs/dbraw/zinc/31/81/95/1035318195.db2.gz FFNRHALLRMYQFG-UHFFFAOYSA-N -1 1 323.249 3.878 20 0 DHADMM Cc1nc(Cl)nc(Cl)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176663038 1035318279 /nfs/dbraw/zinc/31/82/79/1035318279.db2.gz AFVPNLNYTMPBMY-UHFFFAOYSA-N -1 1 324.089 3.958 20 0 DHADMM [O-]c1cc(Nc2cccnc2N2CCCC2)c(F)cc1Cl ZINC001176751190 1035323105 /nfs/dbraw/zinc/32/31/05/1035323105.db2.gz YGRFTRCTUXDQAA-UHFFFAOYSA-N -1 1 307.756 3.924 20 0 DHADMM Cc1cnc(Cl)c(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000904002881 1035337765 /nfs/dbraw/zinc/33/77/65/1035337765.db2.gz GEZMVJOZXWXSIJ-IUODEOHRSA-N -1 1 318.804 3.595 20 0 DHADMM Cc1cnc(Cl)c(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000904002883 1035338631 /nfs/dbraw/zinc/33/86/31/1035338631.db2.gz GEZMVJOZXWXSIJ-WFASDCNBSA-N -1 1 318.804 3.595 20 0 DHADMM C[C@@H](Cc1ccccc1)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001176994207 1035343011 /nfs/dbraw/zinc/34/30/11/1035343011.db2.gz NMRWCJFPHIFQTB-LBPRGKRZSA-N -1 1 303.789 3.541 20 0 DHADMM CCO[C@@H](c1noc(-c2cc(F)ccc2[O-])n1)C1CCCC1 ZINC000904143619 1035375464 /nfs/dbraw/zinc/37/54/64/1035375464.db2.gz PTQCMHQCTWSUHT-CQSZACIVSA-N -1 1 306.337 3.849 20 0 DHADMM CCCc1ccc([C@H](N[C@@H](C)C(=O)[O-])c2cccs2)cc1 ZINC000904204801 1035385403 /nfs/dbraw/zinc/38/54/03/1035385403.db2.gz ZDKDTQMNBLYXAK-LRDDRELGSA-N -1 1 303.427 3.853 20 0 DHADMM Cc1ccc(-c2noc(Cc3ccc([O-])c(Cl)c3)n2)cc1 ZINC000904570077 1035430378 /nfs/dbraw/zinc/43/03/78/1035430378.db2.gz NOQUVZMHNGFYCE-UHFFFAOYSA-N -1 1 300.745 3.995 20 0 DHADMM Cc1ccccc1Cc1noc(Cc2ccc([O-])c(Cl)c2)n1 ZINC000904647370 1035439381 /nfs/dbraw/zinc/43/93/81/1035439381.db2.gz PWTHAWBDFRSVHU-UHFFFAOYSA-N -1 1 314.772 3.919 20 0 DHADMM CN(C)C(=O)Nc1cccc(NCc2cccc([O-])c2Cl)c1 ZINC001178741315 1035445049 /nfs/dbraw/zinc/44/50/49/1035445049.db2.gz BRITXYUSYSWKEI-UHFFFAOYSA-N -1 1 319.792 3.751 20 0 DHADMM CCc1cccc(OCC(=O)Nc2cc(F)c([O-])cc2Cl)c1 ZINC001179657028 1035487394 /nfs/dbraw/zinc/48/73/94/1035487394.db2.gz ZJEWZLUTSXOMRC-UHFFFAOYSA-N -1 1 323.751 3.765 20 0 DHADMM Cc1nc(C)c(C(=O)Nc2cc(F)c([O-])cc2Cl)s1 ZINC001179655139 1035487507 /nfs/dbraw/zinc/48/75/07/1035487507.db2.gz DYEMTIHGAAVPEJ-UHFFFAOYSA-N -1 1 300.742 3.510 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1c(F)nccc1Cl ZINC001179659515 1035487643 /nfs/dbraw/zinc/48/76/43/1035487643.db2.gz AGDIEMLUOQIKDS-UHFFFAOYSA-N -1 1 319.094 3.625 20 0 DHADMM Cc1cc(C)nc(-c2nc3cc(Cl)c(Cl)cc3c(=O)[n-]2)c1 ZINC000485367423 1035578530 /nfs/dbraw/zinc/57/85/30/1035578530.db2.gz SFQNDDYJPXWJPV-UHFFFAOYSA-N -1 1 320.179 3.909 20 0 DHADMM CC[C@@H](NCc1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000905718324 1035622993 /nfs/dbraw/zinc/62/29/93/1035622993.db2.gz GIQXNAJZYUPFJY-OAHLLOKOSA-N -1 1 304.777 3.674 20 0 DHADMM C[C@@H]1Cc2ccccc2N1Cc1ncc(Br)cc1[O-] ZINC001180480258 1035682307 /nfs/dbraw/zinc/68/23/07/1035682307.db2.gz YFBIXASPCLWRLW-SNVBAGLBSA-N -1 1 319.202 3.501 20 0 DHADMM Cc1ccc2nc(-c3ccc(OCCC(=O)[O-])cc3)[nH]c2c1C ZINC000535591802 1035710020 /nfs/dbraw/zinc/71/00/20/1035710020.db2.gz AWNMEZUFLBOBCB-UHFFFAOYSA-N -1 1 310.353 3.700 20 0 DHADMM CCCCCOC(=O)Nc1ccc(Br)cc1[O-] ZINC001193769301 1035733876 /nfs/dbraw/zinc/73/38/76/1035733876.db2.gz YLCQRYXOIMSGLE-UHFFFAOYSA-N -1 1 302.168 3.893 20 0 DHADMM CCCC[C@H](CC)COC(=O)NCC(=O)c1ccc([O-])cc1 ZINC001193980411 1035786701 /nfs/dbraw/zinc/78/67/01/1035786701.db2.gz GFTUAJARUIADON-ZDUSSCGKSA-N -1 1 307.390 3.518 20 0 DHADMM COc1ccc(NCc2ccc([O-])c(F)c2F)c2ncccc12 ZINC001180969408 1035799350 /nfs/dbraw/zinc/79/93/50/1035799350.db2.gz HTZDABZUJAHESV-UHFFFAOYSA-N -1 1 316.307 3.839 20 0 DHADMM CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000124487342 1035825871 /nfs/dbraw/zinc/82/58/71/1035825871.db2.gz PHMHJRSEKACFQI-LBPRGKRZSA-N -1 1 313.800 3.802 20 0 DHADMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1ccc(C2CC2)cc1 ZINC001194168823 1035859285 /nfs/dbraw/zinc/85/92/85/1035859285.db2.gz RYSBEQIZZQEFDJ-UHFFFAOYSA-N -1 1 319.364 3.708 20 0 DHADMM [O-]c1ccc(CNCc2c(F)cc(F)c(F)c2F)c(F)c1F ZINC001181383634 1035903168 /nfs/dbraw/zinc/90/31/68/1035903168.db2.gz XTIXLTGZVYRCRQ-UHFFFAOYSA-N -1 1 321.220 3.517 20 0 DHADMM CSc1ccc([O-])c(C(=O)Nc2c(C)noc2C2CC2)c1 ZINC000613431022 1035908763 /nfs/dbraw/zinc/90/87/63/1035908763.db2.gz SZOGPLJUUYGTKS-UHFFFAOYSA-N -1 1 304.371 3.540 20 0 DHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1cc(F)cc(Cl)c1 ZINC001194633832 1035974670 /nfs/dbraw/zinc/97/46/70/1035974670.db2.gz FTUUGLAMTVQQJG-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM CCOC(=O)c1c(C)[n-]sc1=NC(=O)OCC(CC)CC ZINC001194684446 1035994477 /nfs/dbraw/zinc/99/44/77/1035994477.db2.gz YQNTYYCEWLXVKI-UHFFFAOYSA-N -1 1 314.407 3.613 20 0 DHADMM CC[C@@H](CC(C)C)C(=O)Nc1nc(Br)ccc1[O-] ZINC001181806560 1035995170 /nfs/dbraw/zinc/99/51/70/1035995170.db2.gz SWVPGDHPEPAXBM-VIFPVBQESA-N -1 1 315.211 3.561 20 0 DHADMM CC(C)CCOC(=O)Nc1ccc(Br)cc1[O-] ZINC001194871804 1036057065 /nfs/dbraw/zinc/05/70/65/1036057065.db2.gz NWYOPFOCBABVNG-UHFFFAOYSA-N -1 1 302.168 3.749 20 0 DHADMM O=C(N[C@@H]1CCc2c1cccc2Cl)c1c(F)ccc([O-])c1F ZINC000540512255 1036086505 /nfs/dbraw/zinc/08/65/05/1036086505.db2.gz UTPXHCJOKSZINJ-GFCCVEGCSA-N -1 1 323.726 3.741 20 0 DHADMM CCCCC[C@@](C)(CC)C(=O)Nc1nc(C(=O)OCC)c[n-]1 ZINC001272342438 1036143225 /nfs/dbraw/zinc/14/32/25/1036143225.db2.gz RDWIBRCDDWRCQO-MRXNPFEDSA-N -1 1 309.410 3.522 20 0 DHADMM CC(C)(C)c1nnc([N-]C(=O)c2sccc2C(F)(F)F)o1 ZINC001195206474 1036179431 /nfs/dbraw/zinc/17/94/31/1036179431.db2.gz UUCDVHKGSZLSSK-UHFFFAOYSA-N -1 1 319.308 3.700 20 0 DHADMM Cc1cc(NC(=O)c2cc([O-])cnc2Cl)c2ccsc2n1 ZINC001195300257 1036211440 /nfs/dbraw/zinc/21/14/40/1036211440.db2.gz ZUXXICBXEHYKPN-UHFFFAOYSA-N -1 1 319.773 3.611 20 0 DHADMM O=C(Nc1ccc(F)c(C2CC2)c1)c1cc([O-])cnc1Cl ZINC001195306200 1036216230 /nfs/dbraw/zinc/21/62/30/1036216230.db2.gz ORLYXQJIGHHZQF-UHFFFAOYSA-N -1 1 306.724 3.709 20 0 DHADMM CCc1cccc(CC)c1NC(=O)c1cc([O-])cnc1Cl ZINC001195309959 1036217269 /nfs/dbraw/zinc/21/72/69/1036217269.db2.gz YAANEGDEDNSXPS-UHFFFAOYSA-N -1 1 304.777 3.818 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1cc(C)cc(Cl)c1Cl ZINC001195494861 1036271877 /nfs/dbraw/zinc/27/18/77/1036271877.db2.gz RHAQTCFZVAVHQM-UHFFFAOYSA-N -1 1 307.202 3.745 20 0 DHADMM [O-]c1ccc(-c2nc(Cc3ccc(Cl)cc3)no2)c(F)c1 ZINC000230225915 1036373050 /nfs/dbraw/zinc/37/30/50/1036373050.db2.gz MPLPDXWCJSCMLI-UHFFFAOYSA-N -1 1 304.708 3.826 20 0 DHADMM CCOC(=O)c1sc([N-]c2cnc(C)s2)nc1C1CC1 ZINC001212133399 1036428878 /nfs/dbraw/zinc/42/88/78/1036428878.db2.gz ZLYZOFXRVQYCET-UHFFFAOYSA-N -1 1 309.416 3.706 20 0 DHADMM Cc1cc(F)ccc1NC(=S)Nc1cc(F)c([O-])cc1F ZINC001196127252 1036444308 /nfs/dbraw/zinc/44/43/08/1036444308.db2.gz ZICSCEQOKJNQJL-UHFFFAOYSA-N -1 1 312.316 3.927 20 0 DHADMM Cc1cc(F)ccc1NC(=S)Nc1c(F)cc([O-])cc1F ZINC001196125719 1036458448 /nfs/dbraw/zinc/45/84/48/1036458448.db2.gz NAHQBCZGSDDZFG-UHFFFAOYSA-N -1 1 312.316 3.927 20 0 DHADMM Cc1c(Cl)cc(F)c(NC(=O)[N-]O[C@H]2CCCCO2)c1F ZINC000775688857 1036462552 /nfs/dbraw/zinc/46/25/52/1036462552.db2.gz CGTOQPSUHBBQHL-JTQLQIEISA-N -1 1 320.723 3.506 20 0 DHADMM C[C@H]1CCC[C@@H]1CC(=O)Nc1cccc([O-])c1Br ZINC000908711168 1036489120 /nfs/dbraw/zinc/48/91/20/1036489120.db2.gz YTJYRORQZZKLGP-VHSXEESVSA-N -1 1 312.207 3.920 20 0 DHADMM CC[C@@H]1CCC[C@@H]1C(=O)Nc1cccc([O-])c1Br ZINC000908707469 1036485616 /nfs/dbraw/zinc/48/56/16/1036485616.db2.gz IGNLPPNJRLAUQX-ZJUUUORDSA-N -1 1 312.207 3.920 20 0 DHADMM CCCC[C@@H](C)C(=O)Nc1cccc([O-])c1Br ZINC000908708093 1036486095 /nfs/dbraw/zinc/48/60/95/1036486095.db2.gz PCJKDGPWRZFJKX-SECBINFHSA-N -1 1 300.196 3.920 20 0 DHADMM CC[C@H](C)[C@@H](C)C(=O)Nc1cccc([O-])c1Br ZINC000908708773 1036486720 /nfs/dbraw/zinc/48/67/20/1036486720.db2.gz DKQVKIKASYHFNO-DTWKUNHWSA-N -1 1 300.196 3.775 20 0 DHADMM C[C@H]1CC=C(C(=O)Nc2cccc([O-])c2Br)CC1 ZINC000908707877 1036486963 /nfs/dbraw/zinc/48/69/63/1036486963.db2.gz NHSLMHGYGGKPHT-VIFPVBQESA-N -1 1 310.191 3.840 20 0 DHADMM C[C@]1(C(=O)Nc2cccc([O-])c2Br)CC=CCC1 ZINC000908707080 1036487497 /nfs/dbraw/zinc/48/74/97/1036487497.db2.gz GYOXAFLVLOVFLV-AWEZNQCLSA-N -1 1 310.191 3.840 20 0 DHADMM O=C(C[C@H]1C=CCCC1)Nc1cccc([O-])c1Br ZINC000908709416 1036489559 /nfs/dbraw/zinc/48/95/59/1036489559.db2.gz JSHZSOUCZFSKIM-JTQLQIEISA-N -1 1 310.191 3.840 20 0 DHADMM C[C@H](C(=O)Nc1cccc([O-])c1Br)C1CCCC1 ZINC000908712685 1036489883 /nfs/dbraw/zinc/48/98/83/1036489883.db2.gz IYDSLPGUMDOXHP-VIFPVBQESA-N -1 1 312.207 3.920 20 0 DHADMM CC(=O)c1ccc(NC(=S)Nc2ccc(F)cc2[O-])cc1 ZINC001196552860 1036565068 /nfs/dbraw/zinc/56/50/68/1036565068.db2.gz GYDXPJHWWLFHOL-UHFFFAOYSA-N -1 1 304.346 3.543 20 0 DHADMM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1c(F)ccc([O-])c1F ZINC000491558552 1036604800 /nfs/dbraw/zinc/60/48/00/1036604800.db2.gz GCWWTBKDJNEPAE-MNOVXSKESA-N -1 1 311.372 3.957 20 0 DHADMM CC[C@@H](CNc1ccccc1)NC(=O)c1cc(Cl)ccc1[O-] ZINC001183507615 1036614979 /nfs/dbraw/zinc/61/49/79/1036614979.db2.gz FWSYSHGUTWSRBM-ZDUSSCGKSA-N -1 1 318.804 3.666 20 0 DHADMM CC1(C(=O)Nc2cc([O-])c(F)cc2F)CCC(F)(F)CC1 ZINC000909970936 1036724073 /nfs/dbraw/zinc/72/40/73/1036724073.db2.gz BABJNZKIRAPUCO-UHFFFAOYSA-N -1 1 305.271 3.825 20 0 DHADMM Cc1nc(C(C)C)ccc1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909987239 1036732328 /nfs/dbraw/zinc/73/23/28/1036732328.db2.gz NCVUATXURWRJKA-UHFFFAOYSA-N -1 1 306.312 3.750 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)C1(c2cccnc2)CCCC1 ZINC000909987599 1036732370 /nfs/dbraw/zinc/73/23/70/1036732370.db2.gz ZTGWNIGSAZKCAE-UHFFFAOYSA-N -1 1 318.323 3.516 20 0 DHADMM O=C(C[C@H]1CCc2ccccc2C1)Nc1cc([O-])c(F)cc1F ZINC000909980957 1036734535 /nfs/dbraw/zinc/73/45/35/1036734535.db2.gz JREOTFMYAFOLKN-NSHDSACASA-N -1 1 317.335 3.804 20 0 DHADMM CC1(C(=O)Nc2cc(F)cc(F)c2[O-])CCC(F)(F)CC1 ZINC000910990666 1037021399 /nfs/dbraw/zinc/02/13/99/1037021399.db2.gz GLUGPPOOUIIZKG-UHFFFAOYSA-N -1 1 305.271 3.825 20 0 DHADMM Cc1ccccc1NC(=S)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001198437769 1037030683 /nfs/dbraw/zinc/03/06/83/1037030683.db2.gz MFSPQVUKTZQSQD-UHFFFAOYSA-N -1 1 324.409 3.695 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])Nc1ccc(F)c(F)c1F ZINC001185329285 1037111345 /nfs/dbraw/zinc/11/13/45/1037111345.db2.gz FUVLWRHJIYGPSN-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM Cc1cc([N-]S(=O)(=O)c2ccc3occc3c2)cc(Cl)n1 ZINC001198826620 1037132172 /nfs/dbraw/zinc/13/21/72/1037132172.db2.gz PYVUPSRUZOGZDW-UHFFFAOYSA-N -1 1 322.773 3.590 20 0 DHADMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3occc3c2)c1 ZINC001198817327 1037139547 /nfs/dbraw/zinc/13/95/47/1037139547.db2.gz YYGBFTVKXGXFJX-UHFFFAOYSA-N -1 1 301.367 3.850 20 0 DHADMM Cc1cc([N-]S(=O)(=O)c2ccc3occc3c2)cc(C)c1F ZINC001198858544 1037148791 /nfs/dbraw/zinc/14/87/91/1037148791.db2.gz CPCIXZUZUNBFGH-UHFFFAOYSA-N -1 1 319.357 3.990 20 0 DHADMM COc1ccc([N-]S(=O)(=O)c2ccc3occc3c2)cc1C ZINC001198858560 1037149186 /nfs/dbraw/zinc/14/91/86/1037149186.db2.gz DDGBBPXAVNFUKJ-UHFFFAOYSA-N -1 1 317.366 3.551 20 0 DHADMM COc1cccc([C@H](C)N2CCc3c(cccc3C(=O)[O-])C2)c1 ZINC000322309377 1037194885 /nfs/dbraw/zinc/19/48/85/1037194885.db2.gz XTEBKJPKLGJWCJ-ZDUSSCGKSA-N -1 1 311.381 3.513 20 0 DHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc2c(c1)N=NC2 ZINC001185836805 1037246714 /nfs/dbraw/zinc/24/67/14/1037246714.db2.gz MTAFSKZDHFAOFU-UHFFFAOYSA-N -1 1 305.334 3.532 20 0 DHADMM COc1cccc2c(NC(=O)c3ccc([O-])c(F)c3)cccc12 ZINC001186236259 1037340809 /nfs/dbraw/zinc/34/08/09/1037340809.db2.gz DERZKDQFWQFFSN-UHFFFAOYSA-N -1 1 311.312 3.945 20 0 DHADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000055160510 1037402629 /nfs/dbraw/zinc/40/26/29/1037402629.db2.gz SLWXXZXZPAXFAP-UHFFFAOYSA-N -1 1 318.760 3.565 20 0 DHADMM O=C(Nc1cc(F)cc(F)c1[O-])N[C@@H]1CCCc2ccccc21 ZINC001186462752 1037424271 /nfs/dbraw/zinc/42/42/71/1037424271.db2.gz GNNYJHLJBSJWSV-CQSZACIVSA-N -1 1 318.323 3.870 20 0 DHADMM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000763196953 1037439264 /nfs/dbraw/zinc/43/92/64/1037439264.db2.gz NOYAIEWDLNFTDH-DTWKUNHWSA-N -1 1 308.790 3.553 20 0 DHADMM CSc1ccccc1NC(=O)Nc1cc(Cl)ncc1[O-] ZINC001186716491 1037476177 /nfs/dbraw/zinc/47/61/77/1037476177.db2.gz DLBXLSKBKVGKRO-UHFFFAOYSA-N -1 1 309.778 3.807 20 0 DHADMM CCCC[C@H](CCC)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC001187744632 1037715412 /nfs/dbraw/zinc/71/54/12/1037715412.db2.gz IFZVYKPYXOTWPV-JTQLQIEISA-N -1 1 323.380 3.741 20 0 DHADMM O=S(=O)([N-]c1cc(-c2ccccc2)cc(Cl)n1)C1CCC1 ZINC001188108643 1037813490 /nfs/dbraw/zinc/81/34/90/1037813490.db2.gz ITZOBHDOAJNMSI-UHFFFAOYSA-N -1 1 322.817 3.696 20 0 DHADMM [O-]c1ccc(F)cc1-c1nc(-c2ccc(-c3cc[nH]n3)cc2)no1 ZINC000761606211 1037898268 /nfs/dbraw/zinc/89/82/68/1037898268.db2.gz BBTRSNNPMGUGJI-UHFFFAOYSA-N -1 1 322.299 3.638 20 0 DHADMM COc1ccc(NC(=O)Nc2cccc([O-])c2Cl)c(OC)c1 ZINC001188550216 1037928635 /nfs/dbraw/zinc/92/86/35/1037928635.db2.gz SLFFGOCGXKMHKY-UHFFFAOYSA-N -1 1 322.748 3.707 20 0 DHADMM Cc1ccc(NC(=O)c2ccc([O-])c(C(F)(F)F)c2)cc1O ZINC001188586335 1037938896 /nfs/dbraw/zinc/93/88/96/1037938896.db2.gz KCMGQORVJGSXFB-UHFFFAOYSA-N -1 1 311.259 3.677 20 0 DHADMM O=S(=O)(CC1CC1)[N-]c1ccc(Cl)cc1C(F)(F)F ZINC001188962123 1038025883 /nfs/dbraw/zinc/02/58/83/1038025883.db2.gz ILHVEZOTWQDPTC-UHFFFAOYSA-N -1 1 313.728 3.511 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@H](Cc2ccccc2)C1 ZINC000126156287 1038038848 /nfs/dbraw/zinc/03/88/48/1038038848.db2.gz JNQINHNPBUEMPN-AWEZNQCLSA-N -1 1 315.800 3.750 20 0 DHADMM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)C[C@@H]1C ZINC001189048193 1038054191 /nfs/dbraw/zinc/05/41/91/1038054191.db2.gz DPPPTZQHVLQKTQ-SCVCMEIPSA-N -1 1 319.829 3.582 20 0 DHADMM CCc1nc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])cs1 ZINC001190041876 1038255169 /nfs/dbraw/zinc/25/51/69/1038255169.db2.gz FBBXOEBADQLMBV-UHFFFAOYSA-N -1 1 316.304 3.682 20 0 DHADMM Cc1ccccc1-c1ccc([N-]S(=O)(=O)c2ccncc2)cc1 ZINC001190896912 1038402454 /nfs/dbraw/zinc/40/24/54/1038402454.db2.gz VZWCYXHBYUSPFI-UHFFFAOYSA-N -1 1 324.405 3.858 20 0 DHADMM O=S(=O)([N-]C[C@H]1CCC[C@@H]1C1CC1)c1cc2ccccc2o1 ZINC001212158242 1038473939 /nfs/dbraw/zinc/47/39/39/1038473939.db2.gz NTOKUHXNMIYUNZ-HUUCEWRRSA-N -1 1 319.426 3.537 20 0 DHADMM O=C(Nc1ccc(OC(F)F)cc1)Nc1cccc(F)c1[O-] ZINC001192176835 1038606390 /nfs/dbraw/zinc/60/63/90/1038606390.db2.gz RWKBIPYWJBPHKX-UHFFFAOYSA-N -1 1 312.247 3.777 20 0 DHADMM Cc1ccccc1C(C)(C)NC(=O)c1c(F)ccc([O-])c1F ZINC001192556414 1038676538 /nfs/dbraw/zinc/67/65/38/1038676538.db2.gz UIEHXQPEESPHEH-UHFFFAOYSA-N -1 1 305.324 3.644 20 0 DHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc(Cl)cs1 ZINC000760789458 1038689944 /nfs/dbraw/zinc/68/99/44/1038689944.db2.gz NILSKJHFVILBML-UHFFFAOYSA-N -1 1 319.773 3.750 20 0 DHADMM O=C(Nc1ccc(F)c2cnccc12)c1cc([O-])cc(F)c1F ZINC001192670410 1038690049 /nfs/dbraw/zinc/69/00/49/1038690049.db2.gz JCVRBQNNUOLVBD-UHFFFAOYSA-N -1 1 318.254 3.610 20 0 DHADMM CC(C)[C@@H](NC(=O)c1cc([O-])cc(F)c1F)c1ccc(F)cc1 ZINC001192679350 1038690766 /nfs/dbraw/zinc/69/07/66/1038690766.db2.gz SDGUSVSREHTOKP-MRXNPFEDSA-N -1 1 323.314 3.937 20 0 DHADMM CC(C)(C)c1ccc(O)c(NC(=O)c2cc([O-])cc(F)c2F)c1 ZINC001192670411 1038690832 /nfs/dbraw/zinc/69/08/32/1038690832.db2.gz JDJDAQUKBFUAJH-UHFFFAOYSA-N -1 1 321.323 3.926 20 0 DHADMM CCOc1ccc(C)cc1NC(=O)c1cc([O-])cc(F)c1F ZINC001192665954 1038692846 /nfs/dbraw/zinc/69/28/46/1038692846.db2.gz YZMHGUAEXWFELO-UHFFFAOYSA-N -1 1 307.296 3.630 20 0 DHADMM CCCOc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000574003087 1039193603 /nfs/dbraw/zinc/19/36/03/1039193603.db2.gz UXIQBGIHNCOEPB-UHFFFAOYSA-N -1 1 307.296 3.712 20 0 DHADMM O=C(CCCOc1ccccc1Cl)Nc1c([O-])cccc1F ZINC000605435524 1039681060 /nfs/dbraw/zinc/68/10/60/1039681060.db2.gz GVAVFXWNHDLKGK-UHFFFAOYSA-N -1 1 323.751 3.982 20 0 DHADMM CC[C@]1(C(=O)[O-])CCCN(Cc2csc(C(C)(C)C)n2)C1 ZINC000062877419 1040023790 /nfs/dbraw/zinc/02/37/90/1040023790.db2.gz LCULSYGFYHCBDY-INIZCTEOSA-N -1 1 310.463 3.517 20 0 DHADMM CCC(CC)(CNC(=O)c1ccc(Cl)cc1[O-])SC ZINC000231678717 1040382019 /nfs/dbraw/zinc/38/20/19/1040382019.db2.gz VDTZINGDYALZEJ-UHFFFAOYSA-N -1 1 301.839 3.697 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1csc(-c2ccoc2)n1 ZINC000608367183 1040474865 /nfs/dbraw/zinc/47/48/65/1040474865.db2.gz LNSHRYJYKDGLGR-UHFFFAOYSA-N -1 1 304.302 3.500 20 0 DHADMM CCSCC[C@@H](C)N(C)C(=O)c1ncc2ccccc2c1[O-] ZINC000597326327 1040735027 /nfs/dbraw/zinc/73/50/27/1040735027.db2.gz XHIGYXDFQQEWFT-GFCCVEGCSA-N -1 1 318.442 3.544 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000456292882 1040764398 /nfs/dbraw/zinc/76/43/98/1040764398.db2.gz XLLLYZWPOOEQBE-MSOLQXFVSA-N -1 1 307.393 3.806 20 0 DHADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)c1 ZINC000669647294 1041113234 /nfs/dbraw/zinc/11/32/34/1041113234.db2.gz VFVYPTCQUAZGLE-UHFFFAOYSA-N -1 1 317.410 3.764 20 0 DHADMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccccc2N(C)C)cc1 ZINC000598379583 1041201707 /nfs/dbraw/zinc/20/17/07/1041201707.db2.gz SXNUKNJXUBBWMM-UHFFFAOYSA-N -1 1 318.442 3.677 20 0 DHADMM C[C@H]1CCN(C(=O)c2ccc([O-])cc2F)[C@H](c2ccco2)C1 ZINC000181247523 334963773 /nfs/dbraw/zinc/96/37/73/334963773.db2.gz HWUQURPHGSARRA-NHYWBVRUSA-N -1 1 303.333 3.738 20 0 DHADMM C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC(C(=O)[O-])CC1 ZINC000006202061 181319023 /nfs/dbraw/zinc/31/90/23/181319023.db2.gz WWEJFBAETDSYIR-SECBINFHSA-N -1 1 302.201 3.851 20 0 DHADMM CCCc1csc(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])n1 ZINC000417571116 334993854 /nfs/dbraw/zinc/99/38/54/334993854.db2.gz WWGJJBQMFXXRQU-BLLLJJGKSA-N -1 1 318.442 3.647 20 0 DHADMM C[C@@H](OC(C)(C)C)[C@H](NCc1csc2ccccc12)C(=O)[O-] ZINC000417587077 334999042 /nfs/dbraw/zinc/99/90/42/334999042.db2.gz RTVWIPRKQWCJBC-ABAIWWIYSA-N -1 1 321.442 3.648 20 0 DHADMM CCc1ccc(-c2ccc(CN[C@@H](CC3CC3)C(=O)[O-])o2)cc1 ZINC000417613185 335011274 /nfs/dbraw/zinc/01/12/74/335011274.db2.gz YVWOMNNIRYAXAK-KRWDZBQOSA-N -1 1 313.397 3.852 20 0 DHADMM Cc1ccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)c(C)c1 ZINC000417697006 335058585 /nfs/dbraw/zinc/05/85/85/335058585.db2.gz DAKKYGSYQNQYHN-UHFFFAOYSA-N -1 1 310.397 3.564 20 0 DHADMM CC(=O)Nc1ccc([O-])c(-c2nc(CC3CCCCC3)no2)c1 ZINC000273944165 130189474 /nfs/dbraw/zinc/18/94/74/130189474.db2.gz UGZXEVJHGVBHDK-UHFFFAOYSA-N -1 1 315.373 3.523 20 0 DHADMM CC(=O)Nc1ccc([O-])c(-c2nc([C@H]3CCC[C@@H](C)C3)no2)c1 ZINC000273987321 130195711 /nfs/dbraw/zinc/19/57/11/130195711.db2.gz SHMSVFOPWGAOQS-PWSUYJOCSA-N -1 1 315.373 3.694 20 0 DHADMM CCC(CC)c1nnc([N-]C(=O)c2ocnc2C2CC2)s1 ZINC000288058050 131311656 /nfs/dbraw/zinc/31/16/56/131311656.db2.gz AYLLXPWLQDTZQU-UHFFFAOYSA-N -1 1 306.391 3.559 20 0 DHADMM C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1c(F)ccc([O-])c1F ZINC000289087386 131357199 /nfs/dbraw/zinc/35/71/99/131357199.db2.gz BFWIWEDDRDCDCM-YPMHNXCESA-N -1 1 317.335 3.689 20 0 DHADMM O=C(N[C@H]1CCC[C@@H]1c1ccccc1)c1c(F)ccc([O-])c1F ZINC000289391809 131381394 /nfs/dbraw/zinc/38/13/94/131381394.db2.gz NQVMVLUAMITSTK-OCCSQVGLSA-N -1 1 317.335 3.737 20 0 DHADMM C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1c(F)ccc([O-])c1F ZINC000289572832 131397103 /nfs/dbraw/zinc/39/71/03/131397103.db2.gz JPOJVYVCPYGPJA-WCQYABFASA-N -1 1 317.335 3.689 20 0 DHADMM CCOc1cc(CN[C@@H](C)c2cccnc2)cc(Cl)c1O ZINC000299257352 132095924 /nfs/dbraw/zinc/09/59/24/132095924.db2.gz HTDGCJGBOMTIEV-NSHDSACASA-N -1 1 306.793 3.690 20 0 DHADMM CCC(CC)(NCc1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC000340686442 132153566 /nfs/dbraw/zinc/15/35/66/132153566.db2.gz ZHSDDQCQMXJQBB-UHFFFAOYSA-N -1 1 304.415 3.543 20 0 DHADMM C[C@@H](NCc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)[O-] ZINC000340691536 132158514 /nfs/dbraw/zinc/15/85/14/132158514.db2.gz PUVHOBPIETVQBK-MRVPVSSYSA-N -1 1 314.168 3.816 20 0 DHADMM CCc1nc(SCc2nc3ccc(F)cc3o2)[n-]c(=O)c1C ZINC000570651869 332793075 /nfs/dbraw/zinc/79/30/75/332793075.db2.gz UAENJSGZSRDHKC-UHFFFAOYSA-N -1 1 319.361 3.626 20 0 DHADMM CCc1nc(S[C@H](C)C(=O)C2CCCCC2)[n-]c(=O)c1C ZINC000570943530 332915818 /nfs/dbraw/zinc/91/58/18/332915818.db2.gz XRYLITHJDSCZKS-LLVKDONJSA-N -1 1 308.447 3.683 20 0 DHADMM Cc1cccc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)c1 ZINC000180219345 331564169 /nfs/dbraw/zinc/56/41/69/331564169.db2.gz XTJHKLOMIJMQJI-UHFFFAOYSA-N -1 1 313.378 3.655 20 0 DHADMM Cc1cnc([C@H](C)NC(=O)c2ccc3ccccc3c2[O-])s1 ZINC000176057507 332921406 /nfs/dbraw/zinc/92/14/06/332921406.db2.gz LBRDYOFODIQDMY-NSHDSACASA-N -1 1 312.394 3.801 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000556935275 331756004 /nfs/dbraw/zinc/75/60/04/331756004.db2.gz BKAUSFURFNCCSV-SFYZADRCSA-N -1 1 307.699 3.963 20 0 DHADMM CCCC[C@@H](C)N(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000311179713 331822531 /nfs/dbraw/zinc/82/25/31/331822531.db2.gz XWQLDYXCFVEJOU-SNVBAGLBSA-N -1 1 314.223 3.805 20 0 DHADMM CC(C)(C)CCCNC(=O)c1ccc(Br)c([O-])c1 ZINC000313476257 331959189 /nfs/dbraw/zinc/95/91/89/331959189.db2.gz WEWIEXAWKCNNGZ-UHFFFAOYSA-N -1 1 314.223 3.711 20 0 DHADMM O=C(Nc1ccc(F)cc1OC(F)F)c1cc(F)ccc1[O-] ZINC000091684679 332110651 /nfs/dbraw/zinc/11/06/51/332110651.db2.gz AZTXFZVKFKWFFT-UHFFFAOYSA-N -1 1 315.222 3.524 20 0 DHADMM CCCc1cccc(CN[C@H](CC(=O)[O-])c2ccc(C)o2)c1 ZINC000426777562 332135822 /nfs/dbraw/zinc/13/58/22/332135822.db2.gz OMQSTMFGLVLBEO-MRXNPFEDSA-N -1 1 301.386 3.846 20 0 DHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc(F)c(Cl)c2)o1 ZINC000426807847 332151683 /nfs/dbraw/zinc/15/16/83/332151683.db2.gz JIKQSIZKYXOSEN-CYBMUJFWSA-N -1 1 311.740 3.686 20 0 DHADMM O=C([O-])[C@@H](NCc1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000426807833 332151779 /nfs/dbraw/zinc/15/17/79/332151779.db2.gz PKVWZSQBCWXWMC-AWEZNQCLSA-N -1 1 311.715 3.534 20 0 DHADMM O=C([O-])C[C@@H](NCc1ccccc1F)c1cccc(Cl)c1 ZINC000426809515 332152050 /nfs/dbraw/zinc/15/20/50/332152050.db2.gz DRWQQDVROBDNJD-OAHLLOKOSA-N -1 1 307.752 3.785 20 0 DHADMM Cc1cc(CN[C@H](C(=O)[O-])c2ccccc2F)cc2cccnc12 ZINC000426788694 332153695 /nfs/dbraw/zinc/15/36/95/332153695.db2.gz OTSVUXBDYQBFNB-SFHVURJKSA-N -1 1 324.355 3.598 20 0 DHADMM CCc1ccc([C@H](NCc2cc(Cl)ccc2F)C(=O)[O-])cc1 ZINC000426798264 332154769 /nfs/dbraw/zinc/15/47/69/332154769.db2.gz DPEIKHHNPUHYNW-INIZCTEOSA-N -1 1 321.779 3.957 20 0 DHADMM O=C([O-])[C@@H](NCc1ccc(Cl)cc1F)c1cccc(F)c1 ZINC000426804936 332155350 /nfs/dbraw/zinc/15/53/50/332155350.db2.gz XJTPAUZMJBVNDY-AWEZNQCLSA-N -1 1 311.715 3.534 20 0 DHADMM CCC[C@H](C)C[C@@H](NCc1cc2cc(OC)ccc2o1)C(=O)[O-] ZINC000426821069 332157567 /nfs/dbraw/zinc/15/75/67/332157567.db2.gz PPHQOQLJDLOLSQ-BLLLJJGKSA-N -1 1 319.401 3.811 20 0 DHADMM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(F)c3)cc2s1 ZINC000427123366 332168870 /nfs/dbraw/zinc/16/88/70/332168870.db2.gz IKHPIJVGCOGTOI-UHFFFAOYSA-N -1 1 322.386 3.545 20 0 DHADMM CC[C@@H]1CN(C(=O)c2ncc(C)cc2[O-])CC[C@H]1c1ccccc1 ZINC000427259806 332191053 /nfs/dbraw/zinc/19/10/53/332191053.db2.gz YKJNHZNYVUJLKW-NVXWUHKLSA-N -1 1 324.424 3.752 20 0 DHADMM CC(=O)c1ccc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)s1 ZINC000536468802 332249787 /nfs/dbraw/zinc/24/97/87/332249787.db2.gz ZMNZRNSREAQHCU-UHFFFAOYSA-N -1 1 304.758 3.508 20 0 DHADMM CCC[C@H](C(=O)[O-])N1CCC[C@H]1c1nc2ccccc2s1 ZINC000580206226 333006673 /nfs/dbraw/zinc/00/66/73/333006673.db2.gz WBMIDVJGQNEPSQ-QWHCGFSZSA-N -1 1 304.415 3.687 20 0 DHADMM C[C@H]1C[C@H](C)CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000180332643 333027817 /nfs/dbraw/zinc/02/78/17/333027817.db2.gz XTBOMAKNBMCYJU-UWVGGRQHSA-N -1 1 301.308 3.529 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CCC[C@H]1c1cccc(F)c1 ZINC000181162730 333029456 /nfs/dbraw/zinc/02/94/56/333029456.db2.gz LHAULOZUUAUULV-INIZCTEOSA-N -1 1 303.308 3.648 20 0 DHADMM O=C(Nc1cccc(Oc2ccncc2)c1)c1ccc([O-])cc1F ZINC000181970295 333036246 /nfs/dbraw/zinc/03/62/46/333036246.db2.gz OBAJDPYJWFZPAX-UHFFFAOYSA-N -1 1 324.311 3.971 20 0 DHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c1 ZINC000460455829 333089939 /nfs/dbraw/zinc/08/99/39/333089939.db2.gz DZTYLGKROMLKKK-UHFFFAOYSA-N -1 1 311.353 3.889 20 0 DHADMM C[C@@H](CCc1ccccc1F)C(=O)Nc1ccc(F)cc1[O-] ZINC000516656934 333141474 /nfs/dbraw/zinc/14/14/74/333141474.db2.gz OQPKYOMVRISFRT-NSHDSACASA-N -1 1 305.324 3.878 20 0 DHADMM Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N(C)C)c1 ZINC000216137907 333149125 /nfs/dbraw/zinc/14/91/25/333149125.db2.gz LXTCNQRNOCMIQU-UHFFFAOYSA-N -1 1 324.833 3.515 20 0 DHADMM CC[C@@H]1CC[C@@H](C)N1C(=O)c1cc(Br)ccc1[O-] ZINC000221482981 333159205 /nfs/dbraw/zinc/15/92/05/333159205.db2.gz GYKKSFJPTLAFKL-MWLCHTKSSA-N -1 1 312.207 3.558 20 0 DHADMM CCC(CC)N(CCOC)C(=O)c1cc2ccccc2cc1[O-] ZINC000390571008 333301986 /nfs/dbraw/zinc/30/19/86/333301986.db2.gz OJYJGLPRPJGXSQ-UHFFFAOYSA-N -1 1 315.413 3.823 20 0 DHADMM COc1ccc2[nH]c(C(=O)Nc3ccc([O-])c(Cl)c3)cc2c1 ZINC000188497779 333369083 /nfs/dbraw/zinc/36/90/83/333369083.db2.gz YQLGQQYGHFZYHB-UHFFFAOYSA-N -1 1 316.744 3.788 20 0 DHADMM Cc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1Br ZINC000531756489 333552419 /nfs/dbraw/zinc/55/24/19/333552419.db2.gz YMWDVZCNYGZNKM-UHFFFAOYSA-N -1 1 324.149 3.855 20 0 DHADMM O=C(Nc1ccccc1COc1ccccc1)c1cncc([O-])c1 ZINC000339811137 333617425 /nfs/dbraw/zinc/61/74/25/333617425.db2.gz BRUZADSJJKBFGX-UHFFFAOYSA-N -1 1 320.348 3.619 20 0 DHADMM Cc1nn(C(C)C)cc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000571225216 333685257 /nfs/dbraw/zinc/68/52/57/333685257.db2.gz WUPDCJAQWIUCQP-UHFFFAOYSA-N -1 1 318.764 3.848 20 0 DHADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c(C)n1 ZINC000414455219 333985700 /nfs/dbraw/zinc/98/57/00/333985700.db2.gz HKIAASOJSPWRCC-UHFFFAOYSA-N -1 1 318.442 3.931 20 0 DHADMM Cc1ccc(CN(C(=O)c2ccc([O-])cc2F)C2CC2)cc1C ZINC000436882237 334014384 /nfs/dbraw/zinc/01/43/84/334014384.db2.gz YOTMJYRAJRMBFJ-UHFFFAOYSA-N -1 1 313.372 3.953 20 0 DHADMM CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C(C1CC1)C1CC1 ZINC000271913658 334028847 /nfs/dbraw/zinc/02/88/47/334028847.db2.gz ZUPNOKISORUAEB-UHFFFAOYSA-N -1 1 313.319 3.672 20 0 DHADMM CC[C@H](C)N(CC(=O)[O-])Cc1ccc(-c2ccc(C)cc2)o1 ZINC000414676209 334066261 /nfs/dbraw/zinc/06/62/61/334066261.db2.gz GUPUOWTUINQUFV-AWEZNQCLSA-N -1 1 301.386 3.940 20 0 DHADMM CC[C@@H]1C[C@H](c2nc(-c3ccc([O-])cc3Cl)no2)CCO1 ZINC000278272126 334094170 /nfs/dbraw/zinc/09/41/70/334094170.db2.gz VSDMPBOTTFKIQA-MWLCHTKSSA-N -1 1 308.765 3.768 20 0 DHADMM [O-]c1cccc(CNc2ccccc2O[C@@H]2CCOC2)c1Cl ZINC000293671921 334200650 /nfs/dbraw/zinc/20/06/50/334200650.db2.gz UWDADYDBQILCAC-CYBMUJFWSA-N -1 1 319.788 3.825 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c(C)c1 ZINC000535136425 334374345 /nfs/dbraw/zinc/37/43/45/334374345.db2.gz CZSGFJKLZKASQK-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM Cc1ccnc(CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)n1 ZINC000342648565 334562999 /nfs/dbraw/zinc/56/29/99/334562999.db2.gz FFUBYARVVYVVSL-UHFFFAOYSA-N -1 1 324.409 3.548 20 0 DHADMM CC(=O)c1ccc(-c2nc3cc(F)c(F)cc3c(=O)[n-]2)s1 ZINC000342707694 334567397 /nfs/dbraw/zinc/56/73/97/334567397.db2.gz JOBMJFUSBNEOIE-UHFFFAOYSA-N -1 1 306.293 3.545 20 0 DHADMM CN(Cc1cc2ccccc2o1)C(=O)c1c(F)ccc([O-])c1F ZINC000343764557 335191579 /nfs/dbraw/zinc/19/15/79/335191579.db2.gz MPLGWOSJNWIQJI-UHFFFAOYSA-N -1 1 317.291 3.689 20 0 DHADMM CC(C)c1ccc(CN(C(=O)c2cncc([O-])c2)C2CC2)cc1 ZINC000345629447 335337916 /nfs/dbraw/zinc/33/79/16/335337916.db2.gz NIGMYHRBTUKIGV-UHFFFAOYSA-N -1 1 310.397 3.715 20 0 DHADMM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000093910470 335684461 /nfs/dbraw/zinc/68/44/61/335684461.db2.gz WRUYKWICKMUMQX-VIFPVBQESA-N -1 1 309.287 3.643 20 0 DHADMM Cc1ncc(CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)cn1 ZINC000349815932 335702573 /nfs/dbraw/zinc/70/25/73/335702573.db2.gz HXGSLMGUXFZFIB-UHFFFAOYSA-N -1 1 324.409 3.548 20 0 DHADMM CCSc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)ccn1 ZINC000445479788 338496334 /nfs/dbraw/zinc/49/63/34/338496334.db2.gz HYCZXFYVAZVQCS-UHFFFAOYSA-N -1 1 317.345 3.755 20 0 DHADMM COc1ccc(/C=C\c2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445486420 338496813 /nfs/dbraw/zinc/49/68/13/338496813.db2.gz MOBYXLCMPKFXMT-WTKPLQERSA-N -1 1 312.300 3.760 20 0 DHADMM COc1ccccc1/C=C\c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445487528 338496897 /nfs/dbraw/zinc/49/68/97/338496897.db2.gz TXPQWMQERHDAFW-CLFYSBASSA-N -1 1 312.300 3.760 20 0 DHADMM COc1ccccc1/C=C/c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445487529 338496900 /nfs/dbraw/zinc/49/69/00/338496900.db2.gz TXPQWMQERHDAFW-VQHVLOKHSA-N -1 1 312.300 3.760 20 0 DHADMM O=S(=O)([N-]c1ccc2[nH]ccc2c1)c1cc(F)cc(Cl)c1 ZINC000535895543 335799038 /nfs/dbraw/zinc/79/90/38/335799038.db2.gz ZTHUZCDUZPKSBP-UHFFFAOYSA-N -1 1 324.764 3.761 20 0 DHADMM CC[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccncc1 ZINC000158689175 338506330 /nfs/dbraw/zinc/50/63/30/338506330.db2.gz HGIZOUMHKALUOG-QGZVFWFLSA-N -1 1 306.365 3.822 20 0 DHADMM [O-]c1ccc(-c2nc(Cc3cccc(Cl)c3F)no2)c(F)c1 ZINC000389386616 336049446 /nfs/dbraw/zinc/04/94/46/336049446.db2.gz IOCSMQQIEADWPQ-UHFFFAOYSA-N -1 1 322.698 3.965 20 0 DHADMM Cc1ccccc1C1CC(N(C(=O)c2ncccc2[O-])C2CC2)C1 ZINC000330230665 336127278 /nfs/dbraw/zinc/12/72/78/336127278.db2.gz QQUBJJDXISGXCW-UHFFFAOYSA-N -1 1 322.408 3.646 20 0 DHADMM CC(C)c1ccc(C(=O)N2CCCc3cccc(O)c32)c([O-])c1 ZINC000332182702 336161837 /nfs/dbraw/zinc/16/18/37/336161837.db2.gz AJAROKBIXDGHSR-UHFFFAOYSA-N -1 1 311.381 3.814 20 0 DHADMM C[C@@H]1CCc2nc(NC(=O)c3c(F)ccc([O-])c3F)sc2C1 ZINC000332243191 336164642 /nfs/dbraw/zinc/16/46/42/336164642.db2.gz SCHUTAVTMWPYHX-SSDOTTSWSA-N -1 1 324.352 3.504 20 0 DHADMM Cc1cnc(C(=O)N2CC[C@H](c3ccccc3)C[C@H]2C)c([O-])c1 ZINC000332382680 336170638 /nfs/dbraw/zinc/17/06/38/336170638.db2.gz HOJZJHZCVGOFOT-ZBFHGGJFSA-N -1 1 310.397 3.504 20 0 DHADMM Cc1nc(-c2ccc(NCC3(C)CCCC3)nc2)[n-]c(=O)c1C ZINC000301405511 336304680 /nfs/dbraw/zinc/30/46/80/336304680.db2.gz UIFARBREDNGBQP-UHFFFAOYSA-N -1 1 312.417 3.853 20 0 DHADMM Cc1nc(-c2ccc(N[C@@H](C)CCC3CC3)nc2)[n-]c(=O)c1C ZINC000302216218 336354320 /nfs/dbraw/zinc/35/43/20/336354320.db2.gz ILHIXBLXPIGIAQ-NSHDSACASA-N -1 1 312.417 3.852 20 0 DHADMM O=C(c1c(F)ccc([O-])c1F)N1CCC2(CCCCC2)CC1 ZINC000355524115 336512899 /nfs/dbraw/zinc/51/28/99/336512899.db2.gz NPYQAWQCQMARGX-UHFFFAOYSA-N -1 1 309.356 3.857 20 0 DHADMM CCOc1cc(C(=O)N(CC)C[C@H](C)CC)cc(Cl)c1[O-] ZINC000358105678 336611966 /nfs/dbraw/zinc/61/19/66/336611966.db2.gz IHUDBIRQRIBWGQ-LLVKDONJSA-N -1 1 313.825 3.953 20 0 DHADMM CCO[C@@H](C)c1ncc(C(=O)[N-]c2c(F)cccc2F)s1 ZINC000359989802 336696714 /nfs/dbraw/zinc/69/67/14/336696714.db2.gz AQBDVYOAYUIQRH-QMMMGPOBSA-N -1 1 312.341 3.771 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cccnc1C(F)(F)F ZINC000182873036 337190497 /nfs/dbraw/zinc/19/04/97/337190497.db2.gz YAZGFEDVOSNLDR-UHFFFAOYSA-N -1 1 316.666 3.712 20 0 DHADMM CCO[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000182877606 337190649 /nfs/dbraw/zinc/19/06/49/337190649.db2.gz OUUHFZCLFPDASE-OAHLLOKOSA-N -1 1 305.761 3.762 20 0 DHADMM O=C([O-])[C@H](NCc1ccc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000583132637 337242711 /nfs/dbraw/zinc/24/27/11/337242711.db2.gz CFOPRINHYCTAEX-OAHLLOKOSA-N -1 1 305.761 3.553 20 0 DHADMM CCOc1cc(C(=O)N2CC[C@H](C)[C@H]2CC)cc(Cl)c1[O-] ZINC000187404466 337265647 /nfs/dbraw/zinc/26/56/47/337265647.db2.gz IHVGBXIWKWJMPD-GXFFZTMASA-N -1 1 311.809 3.705 20 0 DHADMM CCCCN(C(=O)c1ccc(Br)c([O-])c1)C1CC1 ZINC000231326296 337277532 /nfs/dbraw/zinc/27/75/32/337277532.db2.gz MHSFTWOJICMCJG-UHFFFAOYSA-N -1 1 312.207 3.559 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1cc2c(cn1)CCCC2 ZINC000572088908 337589188 /nfs/dbraw/zinc/58/91/88/337589188.db2.gz PRCZLCZTXZVVFK-UHFFFAOYSA-N -1 1 317.776 3.963 20 0 DHADMM CC(C)[C@H](NCc1ccc(C(=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000263382912 337627296 /nfs/dbraw/zinc/62/72/96/337627296.db2.gz CCGOEQCAPAMGPE-KRWDZBQOSA-N -1 1 323.396 3.748 20 0 DHADMM CCCCN(C(=O)c1ccc(Br)cc1[O-])C1CC1 ZINC000044490953 337809968 /nfs/dbraw/zinc/80/99/68/337809968.db2.gz MXRNYDICXUEJAS-UHFFFAOYSA-N -1 1 312.207 3.559 20 0 DHADMM C/C=C/c1ccc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)cc1 ZINC000516038499 338002754 /nfs/dbraw/zinc/00/27/54/338002754.db2.gz OFEZAALHQMYQIX-ONEGZZNKSA-N -1 1 321.373 3.668 20 0 DHADMM [O-]c1ccc(-c2noc(CSCC(F)(F)F)n2)c(Cl)c1 ZINC000445450857 338015701 /nfs/dbraw/zinc/01/57/01/338015701.db2.gz XNCMYJSZJMFPLI-UHFFFAOYSA-N -1 1 324.711 3.891 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3c(F)cccc3F)n2)c(Cl)c1 ZINC000445451041 338016205 /nfs/dbraw/zinc/01/62/05/338016205.db2.gz ZUGVHHHKEINZQO-UHFFFAOYSA-N -1 1 322.698 3.965 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cc4c(s3)CCC4)n2)c(F)c1 ZINC000445454097 338017109 /nfs/dbraw/zinc/01/71/09/338017109.db2.gz KGVBMDPWDBQPKA-UHFFFAOYSA-N -1 1 302.330 3.799 20 0 DHADMM [O-]c1ccc(-c2noc(COc3ccc(F)cc3)n2)c(Cl)c1 ZINC000445455847 338017414 /nfs/dbraw/zinc/01/74/14/338017414.db2.gz QVHARKPSCXWWMF-UHFFFAOYSA-N -1 1 320.707 3.814 20 0 DHADMM [O-]c1ccc(-c2noc(C3(c4cccc(F)c4)CC3)n2)c(F)c1 ZINC000445456677 338017620 /nfs/dbraw/zinc/01/76/20/338017620.db2.gz PRTZJQJLCQEZSV-UHFFFAOYSA-N -1 1 314.291 3.800 20 0 DHADMM CC[C@H](C)c1cc(-c2nc(-c3ccc([O-])cc3F)no2)on1 ZINC000445458758 338018117 /nfs/dbraw/zinc/01/81/17/338018117.db2.gz ZBFASOPLDNNQIO-QMMMGPOBSA-N -1 1 303.293 3.750 20 0 DHADMM C[C@H](Sc1ccccn1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445457508 338018398 /nfs/dbraw/zinc/01/83/98/338018398.db2.gz NMGKRTFGSNXQFH-VIFPVBQESA-N -1 1 317.345 3.830 20 0 DHADMM Cc1noc(C)c1[C@H](C)Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000445462065 338024256 /nfs/dbraw/zinc/02/42/56/338024256.db2.gz ZSWNYBSPINGLRK-MRVPVSSYSA-N -1 1 317.320 3.532 20 0 DHADMM CCCN(Cc1c(F)cccc1Cl)C(=O)c1ncccc1[O-] ZINC000426444664 338032311 /nfs/dbraw/zinc/03/23/11/338032311.db2.gz JTYNFWLKSMBFGN-UHFFFAOYSA-N -1 1 322.767 3.632 20 0 DHADMM CCc1nc(CNCc2ccc(Cl)cc2C)ccc1C(=O)[O-] ZINC000426647800 338036904 /nfs/dbraw/zinc/03/69/04/338036904.db2.gz OZOWDIOWHBCYPY-UHFFFAOYSA-N -1 1 318.804 3.594 20 0 DHADMM O=C([O-])C[C@H](NCc1ccsc1Cl)c1ccsc1 ZINC000426698537 338038445 /nfs/dbraw/zinc/03/84/45/338038445.db2.gz YYCKAJOVYDYMFG-JTQLQIEISA-N -1 1 301.820 3.769 20 0 DHADMM CCCCCOc1ccc(CNCc2cc(C(=O)[O-])co2)cc1 ZINC000426699070 338038558 /nfs/dbraw/zinc/03/85/58/338038558.db2.gz FFSUBRWRCBFOEK-UHFFFAOYSA-N -1 1 317.385 3.837 20 0 DHADMM Cc1ccc(F)c(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000426736259 338040027 /nfs/dbraw/zinc/04/00/27/338040027.db2.gz IKYKMQGEAQNEPT-OAHLLOKOSA-N -1 1 307.752 3.703 20 0 DHADMM C[C@H]1CC2(CCC2)CN1C(=O)c1ccc(Br)c([O-])c1 ZINC000432627896 338161289 /nfs/dbraw/zinc/16/12/89/338161289.db2.gz XFZXJCILMDFQSN-JTQLQIEISA-N -1 1 324.218 3.559 20 0 DHADMM O=C(NC[C@H]1CCCC(F)(F)C1)c1ccc(Cl)cc1[O-] ZINC000436498880 338274261 /nfs/dbraw/zinc/27/42/61/338274261.db2.gz XRLZDWGFSHMFMQ-VIFPVBQESA-N -1 1 303.736 3.601 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCCC[C@@H]1C(F)F ZINC000436519168 338274750 /nfs/dbraw/zinc/27/47/50/338274750.db2.gz VVJULYRGVRSRSG-CQSZACIVSA-N -1 1 305.324 3.805 20 0 DHADMM COC(=O)c1ccc([O-])c(NC(=O)c2sccc2C(C)C)c1 ZINC000436516572 338274867 /nfs/dbraw/zinc/27/48/67/338274867.db2.gz WRHALWNKWFZBON-UHFFFAOYSA-N -1 1 319.382 3.616 20 0 DHADMM CN(CCc1cccc2ccccc21)C(=O)c1cc(F)ccc1[O-] ZINC000436535014 338275727 /nfs/dbraw/zinc/27/57/27/338275727.db2.gz MIZGHKNMIIFEIW-UHFFFAOYSA-N -1 1 323.367 3.999 20 0 DHADMM C[C@@]1(c2ccccc2)CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000436544873 338276343 /nfs/dbraw/zinc/27/63/43/338276343.db2.gz LERZVCLYBSCLNK-LJQANCHMSA-N -1 1 313.372 3.725 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000436558725 338277013 /nfs/dbraw/zinc/27/70/13/338277013.db2.gz WWSWUDYHCDFRIT-HNNXBMFYSA-N -1 1 317.335 3.518 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1Cc2ccccc2C2(CC2)C1 ZINC000436565931 338277230 /nfs/dbraw/zinc/27/72/30/338277230.db2.gz SHPCRFBJJQDYPB-UHFFFAOYSA-N -1 1 313.784 3.733 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@H](c2ccc(F)cc2)C1 ZINC000436585319 338278502 /nfs/dbraw/zinc/27/85/02/338278502.db2.gz LOLAFJVQYOSDQD-LBPRGKRZSA-N -1 1 319.763 3.814 20 0 DHADMM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2cc(F)ccc2[O-])C1 ZINC000436590170 338278798 /nfs/dbraw/zinc/27/87/98/338278798.db2.gz RQTFATHKYZEHBC-BZNIZROVSA-N -1 1 317.335 3.894 20 0 DHADMM Cc1nc(CC(C)C)c(NC(=O)c2cc(F)ccc2[O-])s1 ZINC000436591545 338278873 /nfs/dbraw/zinc/27/88/73/338278873.db2.gz XDYXZGTXIHSTNU-UHFFFAOYSA-N -1 1 308.378 3.747 20 0 DHADMM CC(C)c1csc(CNC(=O)c2cc(Cl)ccc2[O-])n1 ZINC000436596777 338279365 /nfs/dbraw/zinc/27/93/65/338279365.db2.gz NNSDMYFOZZIXLV-UHFFFAOYSA-N -1 1 310.806 3.556 20 0 DHADMM C[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000436600912 338279515 /nfs/dbraw/zinc/27/95/15/338279515.db2.gz GTUQGRNJBALNKQ-ZDUSSCGKSA-N -1 1 321.376 3.612 20 0 DHADMM CC(C)(C)C(=O)c1ccc(NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000436621998 338280371 /nfs/dbraw/zinc/28/03/71/338280371.db2.gz CHLXCHRONUNLMG-UHFFFAOYSA-N -1 1 313.353 3.579 20 0 DHADMM Cn1c2ccc(F)cc2nc1-c1ccc([O-])c(Br)c1 ZINC000436656329 338281875 /nfs/dbraw/zinc/28/18/75/338281875.db2.gz MVBMUWZVDFDGJK-UHFFFAOYSA-N -1 1 321.149 3.848 20 0 DHADMM O=C(N[C@H]1CCc2cc(F)ccc21)c1ccc(Cl)cc1[O-] ZINC000436673320 338282268 /nfs/dbraw/zinc/28/22/68/338282268.db2.gz FBXWMVJVKJLCEH-AWEZNQCLSA-N -1 1 305.736 3.602 20 0 DHADMM [O-]c1ccc(-c2noc([C@H]3C[C@@H]3c3ccc(F)cc3)n2)cc1F ZINC000436683926 338282589 /nfs/dbraw/zinc/28/25/89/338282589.db2.gz WQASLAYSHXMLLS-OLZOCXBDSA-N -1 1 314.291 3.992 20 0 DHADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1cccc(O)c1 ZINC000436705454 338283588 /nfs/dbraw/zinc/28/35/88/338283588.db2.gz NMAXOCZXVUFHJN-LBPRGKRZSA-N -1 1 307.349 3.742 20 0 DHADMM CC[C@H](C)Oc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000436712229 338283774 /nfs/dbraw/zinc/28/37/74/338283774.db2.gz MZWTUELMSAXELD-NSHDSACASA-N -1 1 301.342 3.527 20 0 DHADMM Cc1nc(C(C)(C)NC(=O)c2ccc(Cl)cc2[O-])sc1C ZINC000436721364 338284142 /nfs/dbraw/zinc/28/41/42/338284142.db2.gz XVIBFCCUGMMXBY-UHFFFAOYSA-N -1 1 324.833 3.784 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N(Cc1ccccc1F)C1CC1 ZINC000436723948 338284316 /nfs/dbraw/zinc/28/43/16/338284316.db2.gz WRMRYSSLWKHTBD-UHFFFAOYSA-N -1 1 319.763 3.990 20 0 DHADMM COc1ccc(C(=O)Nc2ccccc2NC(C)(C)C)c([O-])c1 ZINC000436736919 338284919 /nfs/dbraw/zinc/28/49/19/338284919.db2.gz HXPLWVKQDAERQX-UHFFFAOYSA-N -1 1 314.385 3.864 20 0 DHADMM Cc1ccc(-c2nsc(NC(=O)c3ccccc3[O-])n2)s1 ZINC000436753082 338285397 /nfs/dbraw/zinc/28/53/97/338285397.db2.gz ZWCOBBSIXKRYPD-UHFFFAOYSA-N -1 1 317.395 3.533 20 0 DHADMM O=C(Nc1ccccc1N1CCCCC1)c1cc(F)ccc1[O-] ZINC000436757767 338285876 /nfs/dbraw/zinc/28/58/76/338285876.db2.gz WVBWTPMHSRLABD-UHFFFAOYSA-N -1 1 314.360 3.774 20 0 DHADMM CSc1cc(CNC(=O)c2ccc3ccccc3c2[O-])ccn1 ZINC000436761035 338286085 /nfs/dbraw/zinc/28/60/85/338286085.db2.gz VDYYBHGSZCDVCY-UHFFFAOYSA-N -1 1 324.405 3.592 20 0 DHADMM CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436769978 338286553 /nfs/dbraw/zinc/28/65/53/338286553.db2.gz PJGXJXZYCRCNGO-MWLCHTKSSA-N -1 1 301.308 3.814 20 0 DHADMM C[C@H](C1CCC1)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436769339 338286559 /nfs/dbraw/zinc/28/65/59/338286559.db2.gz IFTATMIAPDNPJK-SECBINFHSA-N -1 1 301.308 3.672 20 0 DHADMM CCOc1ccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000436768103 338286577 /nfs/dbraw/zinc/28/65/77/338286577.db2.gz WGWQKJMUDRBWOE-UHFFFAOYSA-N -1 1 321.760 3.705 20 0 DHADMM CCc1ncsc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436776998 338287032 /nfs/dbraw/zinc/28/70/32/338287032.db2.gz MSOCFHXEEWFICG-UHFFFAOYSA-N -1 1 316.304 3.682 20 0 DHADMM CC(C)N(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1CCC1 ZINC000436804024 338287996 /nfs/dbraw/zinc/28/79/96/338287996.db2.gz AJSOEHJNEXUYTK-UHFFFAOYSA-N -1 1 301.308 3.814 20 0 DHADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC(C)(C)C1 ZINC000436838925 338289318 /nfs/dbraw/zinc/28/93/18/338289318.db2.gz SFQQHSYHVLLUPV-JTQLQIEISA-N -1 1 315.335 3.919 20 0 DHADMM CN(C[C@H]1CC=CCC1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436842918 338289638 /nfs/dbraw/zinc/28/96/38/338289638.db2.gz ZDEGARGELKENAM-NSHDSACASA-N -1 1 313.319 3.839 20 0 DHADMM O=C(N[C@@H]1CSc2ccccc21)c1ccc(Cl)cc1[O-] ZINC000436849385 338289878 /nfs/dbraw/zinc/28/98/78/338289878.db2.gz SNYQPXBQGOTHGJ-GFCCVEGCSA-N -1 1 305.786 3.622 20 0 DHADMM CCc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)c(O)c1 ZINC000436876794 338291272 /nfs/dbraw/zinc/29/12/72/338291272.db2.gz BGAYQWJCMDHPRF-UHFFFAOYSA-N -1 1 300.289 3.516 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cc4sccc4[nH]3)n2)cc1F ZINC000436878621 338291405 /nfs/dbraw/zinc/29/14/05/338291405.db2.gz KOJQJWFIDNUOEZ-UHFFFAOYSA-N -1 1 301.302 3.791 20 0 DHADMM C[C@H]1CC[C@@H](N(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000436879565 338291495 /nfs/dbraw/zinc/29/14/95/338291495.db2.gz XNAACXRUIHDCOS-GXSJLCMTSA-N -1 1 301.308 3.672 20 0 DHADMM COc1ccc(-c2nc(Cc3c(C)cc(C)cc3C)no2)c([O-])c1 ZINC000436891606 338292223 /nfs/dbraw/zinc/29/22/23/338292223.db2.gz XVFBQPYVXJZTJP-UHFFFAOYSA-N -1 1 324.380 3.967 20 0 DHADMM Cc1ccc(-c2noc(-c3ccc4ccccc4c3[O-])n2)cn1 ZINC000436902546 338292628 /nfs/dbraw/zinc/29/26/28/338292628.db2.gz JYBMUDIAGGLNTD-UHFFFAOYSA-N -1 1 303.321 3.966 20 0 DHADMM COc1ccc(-c2nc(-c3cccc4[nH]ccc43)no2)c([O-])c1 ZINC000436903364 338292796 /nfs/dbraw/zinc/29/27/96/338292796.db2.gz MNRZHSBOBJRLIH-UHFFFAOYSA-N -1 1 307.309 3.599 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@H](C2CC2)C1 ZINC000436919102 338293392 /nfs/dbraw/zinc/29/33/92/338293392.db2.gz AWUCOQUQSKJDAX-NSHDSACASA-N -1 1 313.319 3.673 20 0 DHADMM O=C(N[C@H]1CC[C@@H](c2cccc(F)c2)C1)c1c([O-])cccc1F ZINC000436921687 338293477 /nfs/dbraw/zinc/29/34/77/338293477.db2.gz KJODIPVKMAVWTF-OCCSQVGLSA-N -1 1 317.335 3.737 20 0 DHADMM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1c([O-])cccc1F ZINC000436953062 338295584 /nfs/dbraw/zinc/29/55/84/338295584.db2.gz ZXZYMVFEUMABRK-PRHODGIISA-N -1 1 323.726 3.610 20 0 DHADMM C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000436991336 338297021 /nfs/dbraw/zinc/29/70/21/338297021.db2.gz SLSWXRNAPSBWLN-MXWKQRLJSA-N -1 1 315.335 3.918 20 0 DHADMM CC(C)[C@@H]1N(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1(C)C ZINC000437007738 338297576 /nfs/dbraw/zinc/29/75/76/338297576.db2.gz WPJYOQPBQWJTAD-ZDUSSCGKSA-N -1 1 315.335 3.918 20 0 DHADMM O=C([N-]c1c(F)cc(F)cc1F)c1cc(F)c(F)cc1F ZINC000437023146 338298144 /nfs/dbraw/zinc/29/81/44/338298144.db2.gz AJOOJXASXPNLRF-UHFFFAOYSA-N -1 1 305.177 3.774 20 0 DHADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccccc2F)s1 ZINC000439044646 338359438 /nfs/dbraw/zinc/35/94/38/338359438.db2.gz ZFLZFGOCFKIFDZ-UHFFFAOYSA-N -1 1 313.419 3.986 20 0 DHADMM CCOc1cccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)c1 ZINC000442734876 338429430 /nfs/dbraw/zinc/42/94/30/338429430.db2.gz FDTMSUWDGYHJQG-UHFFFAOYSA-N -1 1 321.760 3.705 20 0 DHADMM CSc1ccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)cc1 ZINC000442853624 338434827 /nfs/dbraw/zinc/43/48/27/338434827.db2.gz UYVWAQNYYJBLEL-UHFFFAOYSA-N -1 1 319.407 3.956 20 0 DHADMM CCc1cccc(S(=O)(=O)[N-]c2cc(C)cc(OC)c2C)c1 ZINC000447259282 338547876 /nfs/dbraw/zinc/54/78/76/338547876.db2.gz UMHQFXDETNIMAT-UHFFFAOYSA-N -1 1 319.426 3.675 20 0 DHADMM C[C@H](c1ccccn1)N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000194722902 338732765 /nfs/dbraw/zinc/73/27/65/338732765.db2.gz PMJLRUJFAINLBW-CYBMUJFWSA-N -1 1 306.365 3.774 20 0 DHADMM CCOc1cc(C(=O)NC(C)(C)C2CCC2)cc(Cl)c1[O-] ZINC000456152305 338920673 /nfs/dbraw/zinc/92/06/73/338920673.db2.gz XLNBMKOBDKYGEE-UHFFFAOYSA-N -1 1 311.809 3.753 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000456268710 338923670 /nfs/dbraw/zinc/92/36/70/338923670.db2.gz DZKYUKGPPISINN-IEBWSBKVSA-N -1 1 307.393 3.806 20 0 DHADMM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000456786341 338940631 /nfs/dbraw/zinc/94/06/31/338940631.db2.gz OMLQDVDQLMAGQL-IUCAKERBSA-N -1 1 309.337 3.783 20 0 DHADMM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc([O-])c(F)c1F ZINC000456790226 338940807 /nfs/dbraw/zinc/94/08/07/338940807.db2.gz WBFUPIGUJZHGKK-MFKMUULPSA-N -1 1 313.344 3.594 20 0 DHADMM CCC[C@@H]1C[C@H]1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000462594347 339082122 /nfs/dbraw/zinc/08/21/22/339082122.db2.gz RHZLSYMAJUYBBN-NXEZZACHSA-N -1 1 312.207 3.838 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)c1 ZINC000498215446 339113594 /nfs/dbraw/zinc/11/35/94/339113594.db2.gz HFFJNMNJVOPFBB-KEODLESXSA-N -1 1 324.218 3.838 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ncsc1C(F)(F)F ZINC000472408024 339371519 /nfs/dbraw/zinc/37/15/19/339371519.db2.gz VTQJIUAZGJLFGL-UHFFFAOYSA-N -1 1 322.695 3.773 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CC23CCCC3)c1 ZINC000482585425 339636868 /nfs/dbraw/zinc/63/68/68/339636868.db2.gz XWIMTPSVDUULCL-JTQLQIEISA-N -1 1 324.218 3.982 20 0 DHADMM CCC(C)(CC)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000500075443 340049756 /nfs/dbraw/zinc/04/97/56/340049756.db2.gz KXRJKHNXWQZUBK-UHFFFAOYSA-N -1 1 316.275 3.912 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2N(C)C(C)C)cc1 ZINC000500822575 340067815 /nfs/dbraw/zinc/06/78/15/340067815.db2.gz LWQHZJBIBVROFP-UHFFFAOYSA-N -1 1 318.442 3.640 20 0 DHADMM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccsc1 ZINC000509090049 340260932 /nfs/dbraw/zinc/26/09/32/340260932.db2.gz NXWLQHJOZVEMCG-UHFFFAOYSA-N -1 1 321.345 3.876 20 0 DHADMM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cccc(C)c1F ZINC000509389568 340268084 /nfs/dbraw/zinc/26/80/84/340268084.db2.gz DSSWDHVZNWMSTE-UHFFFAOYSA-N -1 1 323.389 3.560 20 0 DHADMM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000511730454 340336451 /nfs/dbraw/zinc/33/64/51/340336451.db2.gz SAPQXPXTNBVCDA-CQSZACIVSA-N -1 1 319.426 3.973 20 0 DHADMM CS[C@@H]1CCC[C@H](NC(=O)c2cc3ccccc3cc2[O-])C1 ZINC000303661715 340340991 /nfs/dbraw/zinc/34/09/91/340340991.db2.gz HNWXGKGWPIEWLV-LSDHHAIUSA-N -1 1 315.438 3.949 20 0 DHADMM COCc1cccc([N-]S(=O)(=O)c2ccccc2C(C)C)c1 ZINC000188938532 340523517 /nfs/dbraw/zinc/52/35/17/340523517.db2.gz VOLGMWLHIMDQMZ-UHFFFAOYSA-N -1 1 319.426 3.757 20 0 DHADMM Cc1c(Br)cccc1NC(=O)c1ccccc1[O-] ZINC000227869453 340603947 /nfs/dbraw/zinc/60/39/47/340603947.db2.gz SLASGKBRLLUFHD-UHFFFAOYSA-N -1 1 306.159 3.715 20 0 DHADMM Cc1ccsc1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000525018492 340687182 /nfs/dbraw/zinc/68/71/82/340687182.db2.gz NIRKFKRSFSCDHI-UHFFFAOYSA-N -1 1 305.783 3.650 20 0 DHADMM CCO[C@@H](c1noc(-c2cc(F)ccc2[O-])n1)c1ccccc1 ZINC000322323341 340704198 /nfs/dbraw/zinc/70/41/98/340704198.db2.gz QGYRKWNFSLNFMS-OAHLLOKOSA-N -1 1 314.316 3.707 20 0 DHADMM Cc1ccc(O)cc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000530145694 340780693 /nfs/dbraw/zinc/78/06/93/340780693.db2.gz YNZNTEDGJNRAES-UHFFFAOYSA-N -1 1 305.399 3.625 20 0 DHADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2F)c1 ZINC000538296944 340816839 /nfs/dbraw/zinc/81/68/39/340816839.db2.gz RZWUTRUSJJHYBF-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM Cc1nc(SCc2coc(-c3cccs3)n2)[n-]c(=O)c1C ZINC000538515455 340830478 /nfs/dbraw/zinc/83/04/78/340830478.db2.gz YEFOCCQJMGMQAQ-UHFFFAOYSA-N -1 1 319.411 3.808 20 0 DHADMM CN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc([O-])c(Cl)c1 ZINC000065888084 340835903 /nfs/dbraw/zinc/83/59/03/340835903.db2.gz CVOQZNJFRWBASP-AWEZNQCLSA-N -1 1 323.179 3.895 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cnc2ccsc2c1 ZINC000540958837 340953296 /nfs/dbraw/zinc/95/32/96/340953296.db2.gz YGUYRIWIIFSUFU-UHFFFAOYSA-N -1 1 304.758 3.908 20 0 DHADMM CC[C@@H](NC(=O)c1cc(Cl)ccc1[O-])c1c(C)noc1C ZINC000129689403 340980974 /nfs/dbraw/zinc/98/09/74/340980974.db2.gz HWDFNXBQGLYRLA-GFCCVEGCSA-N -1 1 308.765 3.532 20 0 DHADMM CC[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1c(C)noc1C ZINC000129707819 340983038 /nfs/dbraw/zinc/98/30/38/340983038.db2.gz UZDAMHSKYIKWDO-LBPRGKRZSA-N -1 1 308.765 3.532 20 0 DHADMM [O-]c1ccc(F)cc1-c1nc(C(F)(F)c2ccc(F)cc2)no1 ZINC000544441687 341082217 /nfs/dbraw/zinc/08/22/17/341082217.db2.gz MFYZUZFEDYJJLN-UHFFFAOYSA-N -1 1 324.233 3.861 20 0 DHADMM CN(CCCOc1ccccc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000073925405 341123514 /nfs/dbraw/zinc/12/35/14/341123514.db2.gz QYMTTZRKTPEOFA-UHFFFAOYSA-N -1 1 319.788 3.587 20 0 DHADMM Cc1ccc(CCN(Cc2ncccc2[O-])CC(F)(F)F)cc1 ZINC000564298079 341150246 /nfs/dbraw/zinc/15/02/46/341150246.db2.gz CWYMRUOSBIUTQF-UHFFFAOYSA-N -1 1 324.346 3.703 20 0 DHADMM [O-]c1ccc(F)cc1-c1nc(Cc2cccc(Cl)c2)no1 ZINC000132980154 341151123 /nfs/dbraw/zinc/15/11/23/341151123.db2.gz OMHRHQZGNGKFAM-UHFFFAOYSA-N -1 1 304.708 3.826 20 0 DHADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@@H]1C1CCC1 ZINC000133019653 341151961 /nfs/dbraw/zinc/15/19/61/341151961.db2.gz YKQDVALTYCBVMX-CYBMUJFWSA-N -1 1 324.218 3.559 20 0 DHADMM O=S(=O)(c1ccc([O-])cc1)[C@H]1CCc2c1cccc2Cl ZINC000133152761 341158265 /nfs/dbraw/zinc/15/82/65/341158265.db2.gz JVBDXPALAYASRU-HNNXBMFYSA-N -1 1 308.786 3.507 20 0 DHADMM CCCc1ccc(S(=O)(=O)[N-]c2cccc(COC)c2)cc1 ZINC000075581235 341178822 /nfs/dbraw/zinc/17/88/22/341178822.db2.gz MOBNXNRUEWVXFP-UHFFFAOYSA-N -1 1 319.426 3.586 20 0 DHADMM CC[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1nccs1 ZINC000134238435 341210400 /nfs/dbraw/zinc/21/04/00/341210400.db2.gz SXSBOZKGONIRAM-AWEZNQCLSA-N -1 1 312.394 3.883 20 0 DHADMM CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1c([O-])cccc1F ZINC000548122181 341248056 /nfs/dbraw/zinc/24/80/56/341248056.db2.gz SQKVPLMAIYJNGF-GFCCVEGCSA-N -1 1 317.360 3.810 20 0 DHADMM Cc1ncc(CN(C)C(=O)c2ccc3ccccc3c2[O-])s1 ZINC000079395216 341257911 /nfs/dbraw/zinc/25/79/11/341257911.db2.gz FGBBJMWDUSYEJL-UHFFFAOYSA-N -1 1 312.394 3.583 20 0 DHADMM O=C(COc1cccc(Cl)c1)Nc1ccc([O-])c(Cl)c1 ZINC000082192699 341317870 /nfs/dbraw/zinc/31/78/70/341317870.db2.gz XANIYROPFBEHDU-UHFFFAOYSA-N -1 1 312.152 3.717 20 0 DHADMM O=c1cc(C2CC2)nc(SCc2ccc3ncccc3c2)[n-]1 ZINC000564771903 341509034 /nfs/dbraw/zinc/50/90/34/341509034.db2.gz IIIFUBTZSODFNY-UHFFFAOYSA-N -1 1 309.394 3.900 20 0 DHADMM O=C(NCCCCCc1ccccc1)c1c(F)ccc([O-])c1F ZINC000565448490 341527726 /nfs/dbraw/zinc/52/77/26/341527726.db2.gz AUGPNVZQDPWJMT-UHFFFAOYSA-N -1 1 319.351 3.813 20 0 DHADMM O=C(Nc1cccc(Br)c1)c1ccc([O-])cc1F ZINC000154750117 341595554 /nfs/dbraw/zinc/59/55/54/341595554.db2.gz YIQVHCQUUVJCIN-UHFFFAOYSA-N -1 1 310.122 3.546 20 0 DHADMM CCOc1cc(C(=O)N(CC)[C@@H](C)C(C)C)cc(Cl)c1[O-] ZINC000576314266 341839821 /nfs/dbraw/zinc/83/98/21/341839821.db2.gz MDXUIZPEHIUNLU-NSHDSACASA-N -1 1 313.825 3.951 20 0 DHADMM [O-]c1cccc(CNCc2ccn(-c3ccccc3)n2)c1Cl ZINC000339211289 526361381 /nfs/dbraw/zinc/36/13/81/526361381.db2.gz XSJDDVQBLKFTDQ-UHFFFAOYSA-N -1 1 313.788 3.521 20 0 DHADMM O=C1CCCc2cc(NCc3cccc([O-])c3Cl)ccc2N1 ZINC000339312417 526984889 /nfs/dbraw/zinc/98/48/89/526984889.db2.gz RJYIFCYVOWSRAP-UHFFFAOYSA-N -1 1 316.788 3.933 20 0 DHADMM O=S(=O)([N-]c1ccc(F)c(C2CC2)c1)c1cccc(F)c1 ZINC000337129405 527247781 /nfs/dbraw/zinc/24/77/81/527247781.db2.gz BFEBTBPKEXULBG-UHFFFAOYSA-N -1 1 309.337 3.643 20 0 DHADMM O=C(Nc1cccc(COCC2CC2)c1)c1ccc([O-])cc1F ZINC000181181488 527339885 /nfs/dbraw/zinc/33/98/85/527339885.db2.gz ZKFYEDKCBJGNOL-UHFFFAOYSA-N -1 1 315.344 3.710 20 0 DHADMM COc1c(C)cc(CN(C)Cc2cc(C(=O)[O-])oc2C)cc1C ZINC000737840347 599721007 /nfs/dbraw/zinc/72/10/07/599721007.db2.gz XXCRZVMSSZWYCQ-UHFFFAOYSA-N -1 1 317.385 3.544 20 0 DHADMM CC(C)c1ccc(NC(=O)c2cccc3cn[nH]c32)c(C(=O)[O-])c1 ZINC000736515511 600074809 /nfs/dbraw/zinc/07/48/09/600074809.db2.gz OAROQARYEYAILU-UHFFFAOYSA-N -1 1 323.352 3.637 20 0 DHADMM Cc1oc(C(=O)[O-])cc1C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000738964248 600263272 /nfs/dbraw/zinc/26/32/72/600263272.db2.gz SBMBITQZSUTTQF-AWEZNQCLSA-N -1 1 303.358 3.997 20 0 DHADMM O=C([O-])[C@H]1CC12CCN(Cc1ccc(Cl)c(Cl)c1)CC2 ZINC000049928422 600295020 /nfs/dbraw/zinc/29/50/20/600295020.db2.gz BWAZUALSTSSONA-LLVKDONJSA-N -1 1 314.212 3.680 20 0 DHADMM C[C@@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1cc(F)ccc1F ZINC000736663192 600422126 /nfs/dbraw/zinc/42/21/26/600422126.db2.gz WQDDDUFGPPPRIG-PSLIRLAXSA-N -1 1 309.287 3.580 20 0 DHADMM CCOc1ccccc1[C@@H](C)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737213193 600430787 /nfs/dbraw/zinc/43/07/87/600430787.db2.gz NATVCHJEYHOYNR-PXAZEXFGSA-N -1 1 317.360 3.701 20 0 DHADMM C[C@H](N[C@H](C(=O)[O-])c1ccccc1F)c1cccc(Cl)c1 ZINC000827718713 600733217 /nfs/dbraw/zinc/73/32/17/600733217.db2.gz WWEIVUUUWXACHB-BONVTDFDSA-N -1 1 307.752 3.956 20 0 DHADMM CCCC[C@@H](Sc1nc(C=Cc2ccc(C)o2)n[nH]1)C(=O)[O-] ZINC000829296435 600836104 /nfs/dbraw/zinc/83/61/04/600836104.db2.gz SUIWZWKDWUGKGL-IDVQTMNDSA-N -1 1 321.402 3.612 20 0 DHADMM CCc1nc(C)c([C@H](C)N(C)Cc2cc(C(=O)[O-])oc2C)s1 ZINC000737281263 600966312 /nfs/dbraw/zinc/96/63/12/600966312.db2.gz HWCNTEKFOMAXKJ-JTQLQIEISA-N -1 1 322.430 3.807 20 0 DHADMM Cc1ccc([C@H]2CCCCN2Cc2cc(C)c(C(=O)[O-])o2)o1 ZINC000738581969 600968627 /nfs/dbraw/zinc/96/86/27/600968627.db2.gz IXSWHJXUEMIGRK-CQSZACIVSA-N -1 1 303.358 3.915 20 0 DHADMM Cc1ccc([C@@H]2CCCCN2Cc2cc(C(=O)[O-])c(C)o2)o1 ZINC000738583667 600968886 /nfs/dbraw/zinc/96/88/86/600968886.db2.gz PVQQSUPZMBALJY-HNNXBMFYSA-N -1 1 303.358 3.915 20 0 DHADMM Cc1ccc(-c2nc(CN(CCC(=O)[O-])C(C)C)cs2)cc1 ZINC000386822229 601009436 /nfs/dbraw/zinc/00/94/36/601009436.db2.gz QLIKVDWGXBRNHR-UHFFFAOYSA-N -1 1 318.442 3.804 20 0 DHADMM Cn1cccc1[C@H]1CCCCN1Cc1ccc(F)cc1C(=O)[O-] ZINC000833058343 601117430 /nfs/dbraw/zinc/11/74/30/601117430.db2.gz BXFOBEAUECEJTH-QGZVFWFLSA-N -1 1 316.376 3.590 20 0 DHADMM Cn1cccc1[C@@H]1CCCCN1Cc1ccc(F)cc1C(=O)[O-] ZINC000833058342 601117612 /nfs/dbraw/zinc/11/76/12/601117612.db2.gz BXFOBEAUECEJTH-KRWDZBQOSA-N -1 1 316.376 3.590 20 0 DHADMM CCN(Cc1cc(C)c(C(=O)[O-])o1)[C@@H](C)c1cccc(O)c1 ZINC000829719025 601375621 /nfs/dbraw/zinc/37/56/21/601375621.db2.gz WXBKGVVEBDNRML-LBPRGKRZSA-N -1 1 303.358 3.575 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN(C)[C@@H](C)c1ccc(OC)cc1 ZINC000568060152 601412022 /nfs/dbraw/zinc/41/20/22/601412022.db2.gz SYWFUZZDNALTPO-LBPRGKRZSA-N -1 1 317.385 3.742 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN1CCCC[C@H]1c1cccn1C ZINC000830368715 601424329 /nfs/dbraw/zinc/42/43/29/601424329.db2.gz AHHQTACSGGPEAS-HNNXBMFYSA-N -1 1 316.401 3.606 20 0 DHADMM O=C([O-])c1ccc(CN2CCCC[C@@H]2c2ccc(F)cc2)o1 ZINC000833313267 601452287 /nfs/dbraw/zinc/45/22/87/601452287.db2.gz QZTCMGFXCKEKMG-OAHLLOKOSA-N -1 1 303.333 3.844 20 0 DHADMM O=C([O-])c1occc1CN1CCCC[C@H]1c1ccc(F)cc1 ZINC000833345620 601452463 /nfs/dbraw/zinc/45/24/63/601452463.db2.gz FKSWTFRHCJLUJV-HNNXBMFYSA-N -1 1 303.333 3.844 20 0 DHADMM Cc1sc(C(=O)[O-])cc1CN1CCc2sccc2[C@H]1C ZINC000122752353 601615703 /nfs/dbraw/zinc/61/57/03/601615703.db2.gz BSCZFLXJSRNITR-SECBINFHSA-N -1 1 307.440 3.936 20 0 DHADMM Cc1sc(C(=O)[O-])cc1CN1CCOc2ccccc2[C@@H]1C ZINC000833032411 601626821 /nfs/dbraw/zinc/62/68/21/601626821.db2.gz ZFYVISPWFYAKKQ-NSHDSACASA-N -1 1 317.410 3.710 20 0 DHADMM CC[C@](C)(NCc1ccsc1C(=O)[O-])c1nc(C)cs1 ZINC000828691804 601836803 /nfs/dbraw/zinc/83/68/03/601836803.db2.gz DVDQNAYVJPRTPK-AWEZNQCLSA-N -1 1 310.444 3.626 20 0 DHADMM COc1ccccc1CN(Cc1ccc(C(=O)[O-])s1)C1CC1 ZINC000580561118 601942004 /nfs/dbraw/zinc/94/20/04/601942004.db2.gz LKVHLFUVQVZFMF-UHFFFAOYSA-N -1 1 317.410 3.620 20 0 DHADMM Cc1cccc([C@H]2CCCN2Cc2ccc(C(=O)[O-])c(F)c2)n1 ZINC000832967513 604367884 /nfs/dbraw/zinc/36/78/84/604367884.db2.gz GIAYXABBZHBOGW-QGZVFWFLSA-N -1 1 314.360 3.564 20 0 DHADMM Cc1cc([C@H](C)Sc2nc(C(C)(C)C)n[nH]2)oc1C(=O)[O-] ZINC000832873258 604710196 /nfs/dbraw/zinc/71/01/96/604710196.db2.gz HMMMBSRXGVECIL-QMMMGPOBSA-N -1 1 309.391 3.555 20 0 DHADMM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1Cc1ccoc1C(=O)[O-] ZINC000568066067 604722048 /nfs/dbraw/zinc/72/20/48/604722048.db2.gz OMBVLZRGSXKYPE-WDEREUQCSA-N -1 1 303.333 3.625 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN[C@H](C)c1cc(C)ccc1OC ZINC000833681050 605065180 /nfs/dbraw/zinc/06/51/80/605065180.db2.gz SKGDDFUYUNCNCV-GFCCVEGCSA-N -1 1 317.385 3.708 20 0 DHADMM Cc1ccc([C@@H](C)NCc2ccc([C@H](C)NC(=O)[O-])cc2)o1 ZINC000830257492 605119866 /nfs/dbraw/zinc/11/98/66/605119866.db2.gz UZLJGKADJQBEJU-QWHCGFSZSA-N -1 1 302.374 3.767 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CNC(C)(C)c1cccc(F)c1 ZINC000833677698 605142921 /nfs/dbraw/zinc/14/29/21/605142921.db2.gz CKCUFPRVFKYDBE-UHFFFAOYSA-N -1 1 305.349 3.704 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN[C@@H](C)c1ccc(F)c(C)c1 ZINC000833681190 605176770 /nfs/dbraw/zinc/17/67/70/605176770.db2.gz WOICQJSMVPLHDE-NSHDSACASA-N -1 1 305.349 3.839 20 0 DHADMM CCc1cnccc1[C@@H](C)N[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000833674242 605271170 /nfs/dbraw/zinc/27/11/70/605271170.db2.gz PHVPRYYEDVZXMS-VXGBXAGGSA-N -1 1 302.374 3.655 20 0 DHADMM O=C([O-])Nc1ccc(CN2CCC[C@H]2c2ccsc2)cn1 ZINC000834260355 605481288 /nfs/dbraw/zinc/48/12/88/605481288.db2.gz QFVASZGRMWPBLA-ZDUSSCGKSA-N -1 1 303.387 3.570 20 0 DHADMM Cc1nc(C(C)(C)NCc2cccc(NC(=O)[O-])c2)sc1C ZINC000833912329 605604677 /nfs/dbraw/zinc/60/46/77/605604677.db2.gz HMAGCZOXDPKPBR-UHFFFAOYSA-N -1 1 319.430 3.875 20 0 DHADMM C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(C(=O)[O-])s1 ZINC000833604339 605703312 /nfs/dbraw/zinc/70/33/12/605703312.db2.gz DTQREEDUCPQUCP-RKDXNWHRSA-N -1 1 307.337 3.609 20 0 DHADMM O=C([O-])N[C@@H]1C[C@H](N[C@@H]2CCCc3occc32)c2ccccc21 ZINC000834160762 605793551 /nfs/dbraw/zinc/79/35/51/605793551.db2.gz WCIDXLCMKJMXEF-OWCLPIDISA-N -1 1 312.369 3.700 20 0 DHADMM CC(C)(NCc1cc(C(=O)[O-])ccc1F)c1cccc(F)c1 ZINC000833460457 605843020 /nfs/dbraw/zinc/84/30/20/605843020.db2.gz DTDHRQROQBWYRM-UHFFFAOYSA-N -1 1 305.324 3.688 20 0 DHADMM O=C(NC1(c2c(Cl)cccc2Cl)CC1)c1cncc([O-])c1 ZINC000339905225 1013052869 /nfs/dbraw/zinc/05/28/69/1013052869.db2.gz RAOMZBGLXUYSJB-UHFFFAOYSA-N -1 1 323.179 3.513 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2ncccc2Cl)cc1CC ZINC000180196922 1013057696 /nfs/dbraw/zinc/05/76/96/1013057696.db2.gz QKCWVMOXPNBMGO-UHFFFAOYSA-N -1 1 324.833 3.661 20 0 DHADMM CC1(C(=O)[O-])CCN(Cc2csc(-c3ccsc3)n2)CC1 ZINC000062844456 948956559 /nfs/dbraw/zinc/95/65/59/948956559.db2.gz JHZKIHNUWJBSRZ-UHFFFAOYSA-N -1 1 322.455 3.558 20 0 DHADMM C[C@H]1CN(Cc2cc(Cl)ccc2Cl)CC[C@@H]1C(=O)[O-] ZINC000302559251 950570491 /nfs/dbraw/zinc/57/04/91/950570491.db2.gz XTDFWZWEFORHED-CABZTGNLSA-N -1 1 302.201 3.536 20 0 DHADMM C[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)C[C@H]1C(=O)[O-] ZINC000647368232 953955667 /nfs/dbraw/zinc/95/56/67/953955667.db2.gz LCMXEUIHQPLOGI-BXKDBHETSA-N -1 1 302.201 3.536 20 0 DHADMM C[C@@H](C1CC1)N(Cc1nc(C(=O)[O-])cs1)Cc1ccccc1 ZINC000385256022 971991290 /nfs/dbraw/zinc/99/12/90/971991290.db2.gz QQPIOCMOIMKDDV-LBPRGKRZSA-N -1 1 316.426 3.642 20 0 DHADMM C[C@@H]1CN(Cc2nc(C3CCCCC3)cs2)CC[C@H]1C(=O)[O-] ZINC001589401299 954430951 /nfs/dbraw/zinc/43/09/51/954430951.db2.gz KOKBAUOMXYSEKQ-TZMCWYRMSA-N -1 1 322.474 3.733 20 0 DHADMM COc1ccc(C2CC2)cc1CNCc1ccc(C(=O)[O-])cc1 ZINC000883517144 956243412 /nfs/dbraw/zinc/24/34/12/956243412.db2.gz PNGJRMMPXWNJLY-UHFFFAOYSA-N -1 1 311.381 3.561 20 0 DHADMM O=C([O-])C[C@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1 ZINC000086775249 957987028 /nfs/dbraw/zinc/98/70/28/957987028.db2.gz YQTYKGAHZQOHLU-CYBMUJFWSA-N -1 1 302.201 3.823 20 0 DHADMM Cc1cccc([C@@H](NCc2cc3ccncc3s2)C(=O)[O-])c1 ZINC001594397603 958784494 /nfs/dbraw/zinc/78/44/94/958784494.db2.gz KHGXHDWXICCFKM-MRXNPFEDSA-N -1 1 312.394 3.520 20 0 DHADMM C[C@@H](c1ccc(Cl)cc1Cl)N1CCC[C@@H](C(=O)[O-])C1 ZINC000226397199 959878083 /nfs/dbraw/zinc/87/80/83/959878083.db2.gz BAFKZJCXTJKOEE-VHSXEESVSA-N -1 1 302.201 3.851 20 0 DHADMM COc1ccc([C@H](C)[N@@H+](C)Cc2cc(C(=O)[O-])ccc2F)cc1 ZINC001231457903 960608751 /nfs/dbraw/zinc/60/87/51/960608751.db2.gz BAGQLTVDPDLSEM-LBPRGKRZSA-N -1 1 317.360 3.726 20 0 DHADMM COc1ccc([C@H](C)N(C)Cc2cc(C(=O)[O-])ccc2F)cc1 ZINC001231457903 960608753 /nfs/dbraw/zinc/60/87/53/960608753.db2.gz BAGQLTVDPDLSEM-LBPRGKRZSA-N -1 1 317.360 3.726 20 0 DHADMM O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1c(F)ccc([O-])c1F ZINC000579887335 1013269923 /nfs/dbraw/zinc/26/99/23/1013269923.db2.gz YNVMVDUPHYZDMO-UHFFFAOYSA-N -1 1 314.291 3.918 20 0 DHADMM CSc1ccc([O-])c(-c2nc(CCCOC(C)C)no2)c1 ZINC000664798019 1013323306 /nfs/dbraw/zinc/32/33/06/1013323306.db2.gz QRFKWKKTUBDZEQ-UHFFFAOYSA-N -1 1 308.403 3.522 20 0 DHADMM C[C@H](NCc1nc(=O)c2sccc2[n-]1)c1ccc(F)cc1F ZINC000340156907 1013374361 /nfs/dbraw/zinc/37/43/61/1013374361.db2.gz QWTDUOQXAKGRMG-QMMMGPOBSA-N -1 1 321.352 3.526 20 0 DHADMM CCCOc1cncc(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC001167271929 1013488823 /nfs/dbraw/zinc/48/88/23/1013488823.db2.gz FXBHIZWICUIEST-UHFFFAOYSA-N -1 1 322.364 3.982 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000340330578 1013497283 /nfs/dbraw/zinc/49/72/83/1013497283.db2.gz RLXKVTJMNUDXSP-RYUDHWBXSA-N -1 1 307.271 3.552 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc2ccc(Cl)cc2n1 ZINC000340330907 1013497638 /nfs/dbraw/zinc/49/76/38/1013497638.db2.gz NBTOENCEEWSKPB-UHFFFAOYSA-N -1 1 316.719 3.985 20 0 DHADMM CSc1ccc(O[C@H](C)C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000340329059 1013497703 /nfs/dbraw/zinc/49/77/03/1013497703.db2.gz TUQCJQVCBNPXEE-SNVBAGLBSA-N -1 1 321.373 3.659 20 0 DHADMM COc1ccccc1[C@H](C)CC(=O)Nc1ccc(F)cc1[O-] ZINC000340331058 1013497721 /nfs/dbraw/zinc/49/77/21/1013497721.db2.gz QUBXETUXHSYLFM-LLVKDONJSA-N -1 1 303.333 3.672 20 0 DHADMM Cc1ccc(C(=O)CCC(=O)Nc2ccc(F)cc2[O-])s1 ZINC000340330940 1013498233 /nfs/dbraw/zinc/49/82/33/1013498233.db2.gz VTQDLKIXABYZDP-UHFFFAOYSA-N -1 1 307.346 3.503 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000340328807 1013498279 /nfs/dbraw/zinc/49/82/79/1013498279.db2.gz NCLPSYMVYQPFKI-PWSUYJOCSA-N -1 1 307.271 3.552 20 0 DHADMM C[C@@H](CC(=O)Nc1ccc(F)cc1[O-])C(=O)c1cccc(F)c1 ZINC000340331705 1013500216 /nfs/dbraw/zinc/50/02/16/1013500216.db2.gz XHSUEXRFIZAPHH-JTQLQIEISA-N -1 1 319.307 3.518 20 0 DHADMM CCCc1nc(-c2noc(-c3cc(SC)ccc3[O-])n2)co1 ZINC000664885575 1013555507 /nfs/dbraw/zinc/55/55/07/1013555507.db2.gz QZSVQERMZCGDTH-UHFFFAOYSA-N -1 1 317.370 3.772 20 0 DHADMM [O-]c1ccc(-c2noc(C[C@@H]3CCc4ccccc43)n2)cc1F ZINC000683593005 1013702911 /nfs/dbraw/zinc/70/29/11/1013702911.db2.gz FGEKTZDJJROGBV-LBPRGKRZSA-N -1 1 310.328 3.854 20 0 DHADMM O=c1cc(C(F)(F)F)[nH]cc1Nc1cccc(Cl)c1[O-] ZINC001210218105 1013705236 /nfs/dbraw/zinc/70/52/36/1013705236.db2.gz DPNYEDGFBQYPHW-UHFFFAOYSA-N -1 1 304.655 3.909 20 0 DHADMM C[C@@H]1CCN(Cc2cc(Cl)ccc2Cl)C[C@@H]1C(=O)[O-] ZINC000574276899 968455477 /nfs/dbraw/zinc/45/54/77/968455477.db2.gz NYGGITNUDKOMOZ-SKDRFNHKSA-N -1 1 302.201 3.536 20 0 DHADMM C[C@@H]1CCN(Cc2csc(C3CCCCC3)n2)C[C@@H]1C(=O)[O-] ZINC000577395649 968463589 /nfs/dbraw/zinc/46/35/89/968463589.db2.gz OOOWAEZOLXRBCA-DOMZBBRYSA-N -1 1 322.474 3.733 20 0 DHADMM COc1cc(C(=O)NC2[C@@H](C)CCC[C@@H]2C)cc(Cl)c1[O-] ZINC000334091228 1013886178 /nfs/dbraw/zinc/88/61/78/1013886178.db2.gz DXGPZLRDYSLKBU-UWVGGRQHSA-N -1 1 311.809 3.609 20 0 DHADMM CC[C@]1(C(=O)[O-])CCCN([C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000923470685 969651647 /nfs/dbraw/zinc/65/16/47/969651647.db2.gz OPVMABXLVQUKSK-SJCJKPOMSA-N -1 1 308.422 3.610 20 0 DHADMM Cc1cc(C(=O)Nc2cc(C)cc(Br)c2[O-])co1 ZINC000189028836 1013908561 /nfs/dbraw/zinc/90/85/61/1013908561.db2.gz DLDYOMDGJISLDQ-UHFFFAOYSA-N -1 1 310.147 3.617 20 0 DHADMM O=C([O-])[C@@H]1CN(C/C=C/c2cccc(F)c2)Cc2ccccc21 ZINC001606046477 973152506 /nfs/dbraw/zinc/15/25/06/973152506.db2.gz RCDIVDBIOOBKJG-MJICGBHWSA-N -1 1 311.356 3.523 20 0 DHADMM Cc1cc(N)c2ccnc-2n1-c1cc(Cl)c([O-])c(Cl)c1 ZINC001210926641 1014089013 /nfs/dbraw/zinc/08/90/13/1014089013.db2.gz MGRJALWFWOOZEU-UHFFFAOYSA-N -1 1 308.168 3.880 20 0 DHADMM O=C(Nc1c([O-])cccc1F)[C@H]1SCCc2ccccc21 ZINC000089541569 1014102721 /nfs/dbraw/zinc/10/27/21/1014102721.db2.gz ODPDDDDZINMNLR-HNNXBMFYSA-N -1 1 303.358 3.500 20 0 DHADMM CC(=O)c1ccc(-c2nc3cccc(F)c3c(=O)[n-]2)cc1Cl ZINC000683920565 1014109087 /nfs/dbraw/zinc/10/90/87/1014109087.db2.gz CVOJLHQSUQLGHH-UHFFFAOYSA-N -1 1 316.719 3.998 20 0 DHADMM C[C@]12CCN(Cc3ccc(C(=O)[O-])c(Cl)c3)C[C@H]1C2(F)F ZINC000563455434 974533747 /nfs/dbraw/zinc/53/37/47/974533747.db2.gz MTYBYVOTCBLTHS-OCCSQVGLSA-N -1 1 315.747 3.515 20 0 DHADMM COCc1ccc([C@@H]2CCCN2Cc2ccsc2C(=O)[O-])o1 ZINC000565103824 974570248 /nfs/dbraw/zinc/57/02/48/974570248.db2.gz BKQWRJJSGOGQIY-ZDUSSCGKSA-N -1 1 321.398 3.523 20 0 DHADMM O=C([O-])c1csc(C[N@H+]2CCCC3(C2)CCCCCC3)n1 ZINC000567279971 974631810 /nfs/dbraw/zinc/63/18/10/974631810.db2.gz IVBDKDKHKJFDIU-UHFFFAOYSA-N -1 1 308.447 3.778 20 0 DHADMM O=C([O-])c1csc(CN2CCCC3(C2)CCCCCC3)n1 ZINC000567279971 974631819 /nfs/dbraw/zinc/63/18/19/974631819.db2.gz IVBDKDKHKJFDIU-UHFFFAOYSA-N -1 1 308.447 3.778 20 0 DHADMM C[C@H]1C[C@H]1CC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000567474779 1028901157 /nfs/dbraw/zinc/90/11/57/1028901157.db2.gz RGETWKNAAPNAIY-BQBZGAKWSA-N -1 1 318.598 3.793 20 0 DHADMM C[C@H]1CCN(Cc2ccc(C(=O)[O-])cn2)[C@@H]1c1cccc(F)c1 ZINC000577521566 974837452 /nfs/dbraw/zinc/83/74/52/974837452.db2.gz JARITHQZLZARHN-SJCJKPOMSA-N -1 1 314.360 3.502 20 0 DHADMM CC1(C)CN(C(=O)c2ccc(Cl)cc2[O-])CC2(CCCC2)O1 ZINC000189935610 1014223118 /nfs/dbraw/zinc/22/31/18/1014223118.db2.gz WXMJMDSXXQEGRZ-UHFFFAOYSA-N -1 1 323.820 3.609 20 0 DHADMM Cc1cc([C@@H](C)N2CCCc3sccc3C2)oc1C(=O)[O-] ZINC000652410875 975524698 /nfs/dbraw/zinc/52/46/98/975524698.db2.gz FWVOIYXVMAGNQH-LLVKDONJSA-N -1 1 305.399 3.857 20 0 DHADMM CC12CC(C1)CN2[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC000663314831 975942947 /nfs/dbraw/zinc/94/29/47/975942947.db2.gz ANDCDTIUONCJPE-ZAQGZADTSA-N -1 1 300.185 3.603 20 0 DHADMM COc1ccc(-c2nc(C(C)(C)c3ccccc3)no2)c([O-])c1 ZINC000320399904 1014303374 /nfs/dbraw/zinc/30/33/74/1014303374.db2.gz FUMFLVXZLNSSIR-UHFFFAOYSA-N -1 1 310.353 3.777 20 0 DHADMM CC(C)c1[nH]c(C[N@H+]2Cc3ccccc3C[C@@H]2C)cc1C(=O)[O-] ZINC001591915787 976359965 /nfs/dbraw/zinc/35/99/65/976359965.db2.gz FFEOEVINXXJLLC-ZDUSSCGKSA-N -1 1 312.413 3.783 20 0 DHADMM CC(C)c1[nH]c(CN2Cc3ccccc3C[C@@H]2C)cc1C(=O)[O-] ZINC001591915787 976359978 /nfs/dbraw/zinc/35/99/78/976359978.db2.gz FFEOEVINXXJLLC-ZDUSSCGKSA-N -1 1 312.413 3.783 20 0 DHADMM O=C(NCc1ccc(F)c(F)c1)c1ccc2ccccc2c1[O-] ZINC000320403730 1014338778 /nfs/dbraw/zinc/33/87/78/1014338778.db2.gz PGHACRCINSVNQE-UHFFFAOYSA-N -1 1 313.303 3.754 20 0 DHADMM Cc1[nH]nc(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)c1C ZINC001167439590 1014465940 /nfs/dbraw/zinc/46/59/40/1014465940.db2.gz ADRQZBHUNLYOHG-UHFFFAOYSA-N -1 1 315.760 3.791 20 0 DHADMM C[C@@H](CCC(C)(C)C)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001592476793 978238043 /nfs/dbraw/zinc/23/80/43/978238043.db2.gz AZWGIPPONYLRMK-JTQLQIEISA-N -1 1 317.389 3.662 20 0 DHADMM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1ncc(C)cc1[O-] ZINC000427774135 1014523520 /nfs/dbraw/zinc/52/35/20/1014523520.db2.gz BCVZJLCMSJUYOY-INIZCTEOSA-N -1 1 312.413 3.579 20 0 DHADMM CC(C)(C)c1cnc(CSc2nc(C(F)F)cc(=O)[n-]2)o1 ZINC000581160098 1014595258 /nfs/dbraw/zinc/59/52/58/1014595258.db2.gz BXJONYDMCZSSLK-UHFFFAOYSA-N -1 1 315.345 3.698 20 0 DHADMM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)c1ccccn1 ZINC000871621278 979960250 /nfs/dbraw/zinc/96/02/50/979960250.db2.gz XSFAJAWPKRCNSD-QMTHXVAHSA-N -1 1 324.302 3.577 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N(CC(F)F)C1CCC1 ZINC000895149423 1014617012 /nfs/dbraw/zinc/61/70/12/1014617012.db2.gz GRMDCBPATYIPNS-UHFFFAOYSA-N -1 1 305.324 3.805 20 0 DHADMM Cc1nc(C)c([C@H](C)N(C)Cc2cc(C(=O)[O-])cs2)s1 ZINC000872156561 980037779 /nfs/dbraw/zinc/03/77/79/980037779.db2.gz CEWWLSDQRMOAOY-VIFPVBQESA-N -1 1 310.444 3.713 20 0 DHADMM Cc1nc(C)c([C@@H](C)N(C)Cc2cc(C(=O)[O-])cs2)s1 ZINC000872156560 980037982 /nfs/dbraw/zinc/03/79/82/980037982.db2.gz CEWWLSDQRMOAOY-SECBINFHSA-N -1 1 310.444 3.713 20 0 DHADMM CC[C@@H](N[C@H](C(=O)[O-])c1ccc(Cl)cc1)c1c(C)noc1C ZINC001595276424 980299949 /nfs/dbraw/zinc/29/99/49/980299949.db2.gz HBPDVKFFDOEMSC-HIFRSBDPSA-N -1 1 322.792 3.811 20 0 DHADMM O=C([O-])CC[C@@H]1CCCN(Cc2ccc(C(F)(F)F)s2)C1 ZINC000901553462 980379702 /nfs/dbraw/zinc/37/97/02/980379702.db2.gz VGZZRCWNDKFBQS-JTQLQIEISA-N -1 1 321.364 3.844 20 0 DHADMM Cc1ccoc1CN[C@@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000901846442 980570013 /nfs/dbraw/zinc/57/00/13/980570013.db2.gz IPHKZRVZXBKHER-WBVHZDCISA-N -1 1 313.397 3.641 20 0 DHADMM C[C@@H]1CCN(Cc2ccc(F)c(C(F)(F)F)c2)[C@@H](C(=O)[O-])C1 ZINC000902018457 980694946 /nfs/dbraw/zinc/69/49/46/980694946.db2.gz UWLOTFWKCKQUBD-NOZJJQNGSA-N -1 1 319.298 3.530 20 0 DHADMM CCc1cccc2c1OCC[C@H]2NCc1csc(C(=O)[O-])c1 ZINC000902213642 980785373 /nfs/dbraw/zinc/78/53/73/980785373.db2.gz QHQRBCIABQWSDC-CQSZACIVSA-N -1 1 317.410 3.622 20 0 DHADMM O=C([O-])c1coc(CN[C@@H]2CCCc3ccc(Cl)cc32)c1 ZINC000902261347 980805274 /nfs/dbraw/zinc/80/52/74/980805274.db2.gz ICYVACADGXDFJH-OAHLLOKOSA-N -1 1 305.761 3.798 20 0 DHADMM CC[C@](C)(NCc1ccc(/C=C/C(=O)[O-])o1)c1ccc(F)cc1 ZINC000902337877 980838693 /nfs/dbraw/zinc/83/86/93/980838693.db2.gz WFIYYCQXGZBRFL-ZGKFYVQTSA-N -1 1 317.360 3.932 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CN[C@H](c1ccccc1F)C(C)C ZINC000902382712 980865169 /nfs/dbraw/zinc/86/51/69/980865169.db2.gz TZWIUFHXJAWXBL-INIZCTEOSA-N -1 1 305.349 3.912 20 0 DHADMM CSCc1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000521339902 1014688983 /nfs/dbraw/zinc/68/89/83/1014688983.db2.gz GNDVIJYFEZBNNW-UHFFFAOYSA-N -1 1 321.467 3.967 20 0 DHADMM O=C([O-])c1cc(CN[C@@H](CC2CCCC2)c2ccccc2)on1 ZINC000902413756 980876648 /nfs/dbraw/zinc/87/66/48/980876648.db2.gz XNULCNPRXQPXJB-INIZCTEOSA-N -1 1 314.385 3.784 20 0 DHADMM COc1cc(C(=O)N(Cc2ccco2)C(C)C)cc(Cl)c1[O-] ZINC000442642713 1014709200 /nfs/dbraw/zinc/70/92/00/1014709200.db2.gz FOKAXLYHYAQOOC-UHFFFAOYSA-N -1 1 323.776 3.698 20 0 DHADMM CC[C@H]1c2ccsc2CCN1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001595503918 981277647 /nfs/dbraw/zinc/27/76/47/981277647.db2.gz HHIGATRVGJYITG-NFAHFFEMSA-N -1 1 317.410 3.948 20 0 DHADMM COc1cc(C(=O)N2CC[C@H]2c2ccccc2)cc(Cl)c1[O-] ZINC000442860858 1014748680 /nfs/dbraw/zinc/74/86/80/1014748680.db2.gz XAGCCUTVSRVCEC-AWEZNQCLSA-N -1 1 317.772 3.641 20 0 DHADMM CCc1cccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)c1 ZINC000442840451 1014748946 /nfs/dbraw/zinc/74/89/46/1014748946.db2.gz WVFFNJKXDXZIGM-UHFFFAOYSA-N -1 1 301.367 3.796 20 0 DHADMM COc1cc(C(=O)N[C@H]2CCCC(C)(C)C2)cc(Cl)c1[O-] ZINC000442933017 1014773291 /nfs/dbraw/zinc/77/32/91/1014773291.db2.gz ZIDSYANITDPWII-NSHDSACASA-N -1 1 311.809 3.753 20 0 DHADMM CCOc1ccc(C[C@@H](C)C(=O)Nc2c([O-])cccc2F)cc1 ZINC000665304218 1014795255 /nfs/dbraw/zinc/79/52/55/1014795255.db2.gz AOTODSBREHBSJZ-GFCCVEGCSA-N -1 1 317.360 3.747 20 0 DHADMM CC[C@H](C)CCCCC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001594959528 982707739 /nfs/dbraw/zinc/70/77/39/982707739.db2.gz XIEUBTJBKOWFQE-NSHDSACASA-N -1 1 317.389 3.806 20 0 DHADMM Cc1nc(CN2CCC[C@H](CCC(=O)[O-])C2)sc1C(C)(C)C ZINC000923246588 982853052 /nfs/dbraw/zinc/85/30/52/982853052.db2.gz VTMBVYQPQOUCRH-CYBMUJFWSA-N -1 1 324.490 3.826 20 0 DHADMM CCCc1ccccc1[N-]S(=O)(=O)c1cccc(OCC)c1 ZINC000443397267 1014901307 /nfs/dbraw/zinc/90/13/07/1014901307.db2.gz DFSXYGVNXFIKRC-UHFFFAOYSA-N -1 1 319.426 3.839 20 0 DHADMM CCCNc1ccc(CNCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001595936500 983074647 /nfs/dbraw/zinc/07/46/47/983074647.db2.gz FEYQJUSISWXZBG-UHFFFAOYSA-N -1 1 316.376 3.636 20 0 DHADMM Cc1cc(-c2noc(-c3cc(F)ccc3[O-])n2)cc(C)c1O ZINC000388956768 1014963289 /nfs/dbraw/zinc/96/32/89/1014963289.db2.gz ZMJWRDXFIDOLRX-UHFFFAOYSA-N -1 1 300.289 3.571 20 0 DHADMM Cc1cc(F)c(CN2CCC(CCC(=O)[O-])CC2)c(Cl)c1 ZINC000665343475 1014972806 /nfs/dbraw/zinc/97/28/06/1014972806.db2.gz KHNIGWBPFOMISF-UHFFFAOYSA-N -1 1 313.800 3.864 20 0 DHADMM CC(C)Oc1ncc(C(=O)Nc2c([O-])cccc2F)cc1Cl ZINC000605437916 1015022106 /nfs/dbraw/zinc/02/21/06/1015022106.db2.gz BSGYOTLYLMGDCI-UHFFFAOYSA-N -1 1 324.739 3.619 20 0 DHADMM Cc1noc(C)c1[N-]C(=O)c1cc(F)c(C(F)(F)F)cc1F ZINC000341283520 1015135545 /nfs/dbraw/zinc/13/55/45/1015135545.db2.gz JZJYJIUENZIIHH-UHFFFAOYSA-N -1 1 320.217 3.841 20 0 DHADMM C[C@H](C(=O)[O-])[C@H](NCc1cc(O)ccc1Cl)c1ccccc1 ZINC001589468635 986933186 /nfs/dbraw/zinc/93/31/86/986933186.db2.gz KRZUXPKJBLOGNZ-ZBEGNZNMSA-N -1 1 319.788 3.597 20 0 DHADMM C[C@@H]1c2ccccc2CCN1Cc1[nH]cc(C(=O)[O-])c1C1CC1 ZINC001594667412 986971885 /nfs/dbraw/zinc/97/18/85/986971885.db2.gz JRYOLNLKWYGEFJ-GFCCVEGCSA-N -1 1 310.397 3.710 20 0 DHADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1csc(C2CCCCC2)n1 ZINC000581725914 1015270710 /nfs/dbraw/zinc/27/07/10/1015270710.db2.gz NUYWDPKFNKNGGJ-TZMCWYRMSA-N -1 1 322.474 3.876 20 0 DHADMM CC[C@H](NCc1cc(C(=O)[O-])ccc1OC)c1ccccc1F ZINC001597349486 987485728 /nfs/dbraw/zinc/48/57/28/987485728.db2.gz LELORAGPGCLOJU-INIZCTEOSA-N -1 1 317.360 3.773 20 0 DHADMM CCc1[nH]c(CN2CCSC3(CCCCC3)C2)cc1C(=O)[O-] ZINC001597387210 987613214 /nfs/dbraw/zinc/61/32/14/987613214.db2.gz XEQUPCUODOGCSL-UHFFFAOYSA-N -1 1 322.474 3.527 20 0 DHADMM CSc1cccc(F)c1CNCc1csc(C(=O)[O-])c1 ZINC001599822609 988540189 /nfs/dbraw/zinc/54/01/89/988540189.db2.gz UYZJGEDLRZCQMU-UHFFFAOYSA-N -1 1 311.403 3.597 20 0 DHADMM CSc1ccccc1[C@H](C)N[C@H](C)c1cncc(C(=O)[O-])c1 ZINC001599826495 988605679 /nfs/dbraw/zinc/60/56/79/988605679.db2.gz RUQALFGVRNLMGC-NEPJUHHUSA-N -1 1 316.426 3.914 20 0 DHADMM C[C@@H](NCc1ccc(C(=O)[O-])[nH]1)c1cc(Cl)ccc1Cl ZINC001599841480 988841839 /nfs/dbraw/zinc/84/18/39/988841839.db2.gz KCYFHOULUQHBFK-MRVPVSSYSA-N -1 1 313.184 3.871 20 0 DHADMM CC(C)(CCN1CCc2c(Cl)c(Cl)ccc2C1)C(=O)[O-] ZINC001590671377 990383918 /nfs/dbraw/zinc/38/39/18/990383918.db2.gz XOXGQHCBUMLAHS-UHFFFAOYSA-N -1 1 316.228 3.852 20 0 DHADMM CN(C)Cc1ccc(NCc2csc(C(=O)[O-])c2)cc1Cl ZINC001598252736 991033746 /nfs/dbraw/zinc/03/37/46/991033746.db2.gz LQQRNLVSUCWPTI-UHFFFAOYSA-N -1 1 324.833 3.773 20 0 DHADMM CC(C)CN(Cc1ccccn1)Cc1cc(C(=O)[O-])ccc1F ZINC001591343737 992326231 /nfs/dbraw/zinc/32/62/31/992326231.db2.gz CUESDGSRDPNOID-UHFFFAOYSA-N -1 1 316.376 3.577 20 0 DHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC[C@H]2CCC[C@H]21 ZINC000896685874 1015704948 /nfs/dbraw/zinc/70/49/48/1015704948.db2.gz KPCPXWPXWORITI-CXAGYDPISA-N -1 1 311.381 3.656 20 0 DHADMM CN(Cc1cnc(-c2ccccc2)o1)Cc1ccc(C(=O)[O-])cc1 ZINC001598514097 992599898 /nfs/dbraw/zinc/59/98/98/992599898.db2.gz ZWDHNTUEXVNRNU-UHFFFAOYSA-N -1 1 322.364 3.672 20 0 DHADMM COc1ccc([C@@H](C)N[C@H](C)c2cc(C(=O)[O-])co2)cc1C ZINC001599620835 994080183 /nfs/dbraw/zinc/08/01/83/994080183.db2.gz TZZWDFHLOMZZFB-VXGBXAGGSA-N -1 1 303.358 3.707 20 0 DHADMM C[C@@H](c1cccs1)N(C)Cc1[nH]cc(C(=O)[O-])c1C1CC1 ZINC001593723112 996254751 /nfs/dbraw/zinc/25/47/51/996254751.db2.gz JCUVLHDMLWDBCQ-JTQLQIEISA-N -1 1 304.415 3.845 20 0 DHADMM CC1(C)CCc2ccccc2[C@H](NCc2oncc2C(=O)[O-])C1 ZINC001593916644 996820682 /nfs/dbraw/zinc/82/06/82/996820682.db2.gz UNNKSLPJGOQUIU-OAHLLOKOSA-N -1 1 314.385 3.566 20 0 DHADMM CCc1nc(S[C@H](C)C(=O)c2ccc(F)cc2)[n-]c(=O)c1C ZINC000657263640 1016137246 /nfs/dbraw/zinc/13/72/46/1016137246.db2.gz NDBZLJWGNQSTJV-SNVBAGLBSA-N -1 1 320.389 3.556 20 0 DHADMM COCCCC[C@@H](NCc1cc(C(=O)[O-])co1)c1ccccc1 ZINC001599224707 997736390 /nfs/dbraw/zinc/73/63/90/997736390.db2.gz UJXOXANCGBSHCS-QGZVFWFLSA-N -1 1 317.385 3.625 20 0 DHADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(O)c2)cc1 ZINC000119601791 1016169197 /nfs/dbraw/zinc/16/91/97/1016169197.db2.gz DLZDOGPFKNFSBO-GFCCVEGCSA-N -1 1 305.399 3.707 20 0 DHADMM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001594168247 998649386 /nfs/dbraw/zinc/64/93/86/998649386.db2.gz VASNJHFMQCJWPR-PRHODGIISA-N -1 1 321.726 3.654 20 0 DHADMM C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccsc1C(=O)[O-] ZINC001594174226 998668559 /nfs/dbraw/zinc/66/85/59/998668559.db2.gz RETWNQMSUYWFNL-WCBMZHEXSA-N -1 1 307.337 3.609 20 0 DHADMM C[C@@H]1C[C@@H](C(F)(F)F)CCN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC001594215233 998828377 /nfs/dbraw/zinc/82/83/77/998828377.db2.gz QQZYFZPCSKJJNT-KOLCDFICSA-N -1 1 319.298 3.687 20 0 DHADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000014255557 1016274545 /nfs/dbraw/zinc/27/45/45/1016274545.db2.gz WHTFICQJJXOCEV-UHFFFAOYSA-N -1 1 311.353 3.636 20 0 DHADMM C[C@H]1C[C@@H](c2cccnc2)N(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC001594272701 999056009 /nfs/dbraw/zinc/05/60/09/999056009.db2.gz TVLQOVXVHLNKDH-SJCJKPOMSA-N -1 1 314.360 3.502 20 0 DHADMM Cc1nc(-c2ccc(N[C@H]3C[C@]3(C)C(C)C)nc2)[n-]c(=O)c1C ZINC000413436382 1016288186 /nfs/dbraw/zinc/28/81/86/1016288186.db2.gz NDQFQHDQOZQEJV-KBXCAEBGSA-N -1 1 312.417 3.708 20 0 DHADMM CO[C@@H](CN[C@@H](C)c1cc(C(=O)[O-])co1)c1ccccc1Cl ZINC001599054632 999220947 /nfs/dbraw/zinc/22/09/47/999220947.db2.gz XNKWJWRSCKZJRA-BONVTDFDSA-N -1 1 323.776 3.670 20 0 DHADMM C[C@@H]1CCN(Cc2ccc(/C=C/C(=O)[O-])o2)[C@@H](c2ccco2)C1 ZINC001594423973 999585573 /nfs/dbraw/zinc/58/55/73/999585573.db2.gz NIOVRZGMPKEYNK-GTKVBAFNSA-N -1 1 315.369 3.944 20 0 DHADMM COc1cc(NC(=O)c2ccc(C(C)C)cc2[O-])ccc1F ZINC000622541185 1016454095 /nfs/dbraw/zinc/45/40/95/1016454095.db2.gz FSWKVSZJNVZKIL-UHFFFAOYSA-N -1 1 303.333 3.916 20 0 DHADMM Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000622667498 1016510650 /nfs/dbraw/zinc/51/06/50/1016510650.db2.gz IWEACFTXLXDXPU-INIZCTEOSA-N -1 1 317.335 3.956 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])c1cccc(Br)c1 ZINC000707971628 1016606366 /nfs/dbraw/zinc/60/63/66/1016606366.db2.gz OZATYGSLOOSKHW-UHFFFAOYSA-N -1 1 310.122 3.546 20 0 DHADMM C[C@@H]1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000684870566 1016751050 /nfs/dbraw/zinc/75/10/50/1016751050.db2.gz JAMBZRDXDIOEOC-MWLCHTKSSA-N -1 1 301.308 3.720 20 0 DHADMM C[C@@H](C1CC1)N(C(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CC1 ZINC000684872194 1016755576 /nfs/dbraw/zinc/75/55/76/1016755576.db2.gz RUQDGCVJPMADNS-VIFPVBQESA-N -1 1 313.319 3.814 20 0 DHADMM Fc1cnc(=S)[n-]c1O[C@@H](c1ccccc1)C(F)(F)F ZINC001227383529 1016819362 /nfs/dbraw/zinc/81/93/62/1016819362.db2.gz OMYAUQVWKCNOLA-VIFPVBQESA-N -1 1 304.268 3.587 20 0 DHADMM CCOC(=O)c1cnoc1[N-]c1cccc(Cl)c1Cl ZINC001216441919 1016846539 /nfs/dbraw/zinc/84/65/39/1016846539.db2.gz KXSRCGUWYSKGOR-UHFFFAOYSA-N -1 1 301.129 3.902 20 0 DHADMM O=C(NCc1ccc2occc2c1)c1ncc2ccccc2c1[O-] ZINC001146507389 1032224055 /nfs/dbraw/zinc/22/40/55/1032224055.db2.gz UPMBZZSVDGMAAM-UHFFFAOYSA-N -1 1 318.332 3.617 20 0 DHADMM C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC000086779227 1032267018 /nfs/dbraw/zinc/26/70/18/1032267018.db2.gz QARXBDGXAIOVKP-YMTOWFKASA-N -1 1 302.201 3.851 20 0 DHADMM CC(C)Nc1cc(F)ccc1NC(=O)c1ccc(F)c([O-])c1 ZINC001147352722 1032300877 /nfs/dbraw/zinc/30/08/77/1032300877.db2.gz OUBNBHJAZLLTCX-UHFFFAOYSA-N -1 1 306.312 3.743 20 0 DHADMM O=C(NC1(C(F)(F)F)CCC1)c1ccc2ccccc2c1[O-] ZINC001148176472 1032368960 /nfs/dbraw/zinc/36/89/60/1032368960.db2.gz SYIXALVOPBCRAF-UHFFFAOYSA-N -1 1 309.287 3.760 20 0 DHADMM Cc1ccc(-c2csc3[n-]c(-c4ccon4)nc(=O)c23)cc1 ZINC000074797453 1017269593 /nfs/dbraw/zinc/26/95/93/1017269593.db2.gz UXGPOUOXVSIHPJ-UHFFFAOYSA-N -1 1 309.350 3.615 20 0 DHADMM CCc1nccnc1NC(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148861033 1032449503 /nfs/dbraw/zinc/44/95/03/1032449503.db2.gz HVISWBFVROQLRE-UHFFFAOYSA-N -1 1 319.364 3.664 20 0 DHADMM O=C(c1cccc(-c2ccccc2)c1[O-])N1CC(F)(C2CC2)C1 ZINC001148861847 1032449572 /nfs/dbraw/zinc/44/95/72/1032449572.db2.gz ZULCXSLYIVXUEV-UHFFFAOYSA-N -1 1 311.356 3.633 20 0 DHADMM CC(C)Sc1ccccc1NC(=O)c1ccc(O)cc1[O-] ZINC000122025232 1032489876 /nfs/dbraw/zinc/48/98/76/1032489876.db2.gz WGOVHRXOOTVMDO-UHFFFAOYSA-N -1 1 303.383 3.851 20 0 DHADMM C[C@@H](c1ccncc1)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000122058310 1032505705 /nfs/dbraw/zinc/50/57/05/1032505705.db2.gz LWNTZRGYDKSITP-ZDUSSCGKSA-N -1 1 306.365 3.774 20 0 DHADMM CN(C(=O)c1ncccc1[O-])[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000616328290 1012006168 /nfs/dbraw/zinc/00/61/68/1012006168.db2.gz IXNOBJIQICPIGI-CVEARBPZSA-N -1 1 310.397 3.586 20 0 DHADMM Cc1ccc(-c2ccc(CN3CCC[C@H](C)[C@@H]3C(=O)[O-])o2)cc1 ZINC000424423660 1012015514 /nfs/dbraw/zinc/01/55/14/1012015514.db2.gz VGSNZFZLCRBMLU-KBXCAEBGSA-N -1 1 313.397 3.940 20 0 DHADMM C[C@H]1CCCN(Cc2ccc(-c3ccc(F)cc3)o2)[C@@H]1C(=O)[O-] ZINC000424411139 1012022149 /nfs/dbraw/zinc/02/21/49/1012022149.db2.gz AKCUUUUPSIWOLA-SJCJKPOMSA-N -1 1 317.360 3.771 20 0 DHADMM CCc1[n-]n(-c2cc(Cl)nc3ncccc23)c(=O)c1C(C)C ZINC000887294574 1032603140 /nfs/dbraw/zinc/60/31/40/1032603140.db2.gz FCGLQDSMBLWPGJ-CQSZACIVSA-N -1 1 316.792 3.668 20 0 DHADMM COc1ccc2c(c1)[C@H](C(=O)Nc1ccc(F)cc1[O-])CCC2 ZINC000654966419 1012215548 /nfs/dbraw/zinc/21/55/48/1012215548.db2.gz ZPMVTYWQFATISQ-CQSZACIVSA-N -1 1 315.344 3.599 20 0 DHADMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1noc2c1CCCC2 ZINC000122697333 1032615391 /nfs/dbraw/zinc/61/53/91/1032615391.db2.gz HOIYMYAWCMHJMV-UHFFFAOYSA-N -1 1 323.352 3.769 20 0 DHADMM CSCc1cccc([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000109245502 1012768405 /nfs/dbraw/zinc/76/84/05/1012768405.db2.gz VTWPGFOELCZRGR-UHFFFAOYSA-N -1 1 307.440 3.659 20 0 DHADMM COc1cnccc1-c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000350938842 1017376028 /nfs/dbraw/zinc/37/60/28/1017376028.db2.gz KRHDWNJXEHLWIT-UHFFFAOYSA-N -1 1 319.320 3.666 20 0 DHADMM CCOc1cc(-c2noc([C@H](C)SC)n2)cc(Cl)c1[O-] ZINC000277867159 1017511321 /nfs/dbraw/zinc/51/13/21/1017511321.db2.gz KJRDAZLJNYIZCZ-ZETCQYMHSA-N -1 1 314.794 3.918 20 0 DHADMM O=C([N-]c1cnoc1)c1csc(-c2cccc(Cl)c2)n1 ZINC000624009835 1017642839 /nfs/dbraw/zinc/64/28/39/1017642839.db2.gz YQQOEEZKHPECQF-UHFFFAOYSA-N -1 1 305.746 3.704 20 0 DHADMM CC1(C)CCC[C@@H]1CCNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001167623618 1017687601 /nfs/dbraw/zinc/68/76/01/1017687601.db2.gz WQXKUHARKXBXPB-CYBMUJFWSA-N -1 1 309.837 3.921 20 0 DHADMM COc1cc(C(=O)Nc2ccc3[nH]ccc3c2)cc(Cl)c1[O-] ZINC000153532030 1017783540 /nfs/dbraw/zinc/78/35/40/1017783540.db2.gz RHTKQNOCOKWNGM-UHFFFAOYSA-N -1 1 316.744 3.788 20 0 DHADMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000171013959 1017812104 /nfs/dbraw/zinc/81/21/04/1017812104.db2.gz BFMXTMCYLFQMEL-AWEZNQCLSA-N -1 1 319.426 3.812 20 0 DHADMM [O-]c1ccc(-c2noc([C@H]3Cc4ccccc4O3)n2)c(Cl)c1 ZINC000445446951 1017855228 /nfs/dbraw/zinc/85/52/28/1017855228.db2.gz GHOCIXQVEYJKBG-CQSZACIVSA-N -1 1 314.728 3.772 20 0 DHADMM C[C@H](Cc1nc(-c2ccc([O-])cc2Cl)no1)c1cccnc1 ZINC000445447970 1017855320 /nfs/dbraw/zinc/85/53/20/1017855320.db2.gz JRPPIYZAOGELHO-SNVBAGLBSA-N -1 1 315.760 3.837 20 0 DHADMM COc1cc(-c2nc(-c3ccc([O-])cc3Cl)no2)ccc1F ZINC000445447947 1017858031 /nfs/dbraw/zinc/85/80/31/1017858031.db2.gz JKRPWRULXYTESC-UHFFFAOYSA-N -1 1 320.707 3.910 20 0 DHADMM O=C(Nc1ncc(-c2ccccc2)s1)c1cc(F)ccc1[O-] ZINC001626099547 1018009738 /nfs/dbraw/zinc/00/97/38/1018009738.db2.gz WGNQOIILMHKTLB-UHFFFAOYSA-N -1 1 314.341 3.907 20 0 DHADMM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ncccc2[O-])o1 ZINC000153922709 1018084052 /nfs/dbraw/zinc/08/40/52/1018084052.db2.gz QXCAEAYJWRHQLL-OCCSQVGLSA-N -1 1 314.385 3.556 20 0 DHADMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c1 ZINC000039975115 1018090737 /nfs/dbraw/zinc/09/07/37/1018090737.db2.gz LRXUDDLXPQXTHP-UHFFFAOYSA-N -1 1 323.801 3.652 20 0 DHADMM COc1cc(C(=O)NCC(C(C)C)C(C)C)cc(Cl)c1[O-] ZINC000446332388 1018112365 /nfs/dbraw/zinc/11/23/65/1018112365.db2.gz PMYGEQKUUPRLMF-UHFFFAOYSA-N -1 1 313.825 3.712 20 0 DHADMM CC(C)c1cccnc1[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000446796303 1018247141 /nfs/dbraw/zinc/24/71/41/1018247141.db2.gz YYBDEZPANYATGT-UHFFFAOYSA-N -1 1 324.833 3.800 20 0 DHADMM Cc1ccccc1C[N@H+](C)Cc1cccc(C(=O)[O-])c1Cl ZINC000381926843 1018287451 /nfs/dbraw/zinc/28/74/51/1018287451.db2.gz OYMUTDXWZKEUKP-UHFFFAOYSA-N -1 1 303.789 3.979 20 0 DHADMM Cc1ccccc1CN(C)Cc1cccc(C(=O)[O-])c1Cl ZINC000381926843 1018287460 /nfs/dbraw/zinc/28/74/60/1018287460.db2.gz OYMUTDXWZKEUKP-UHFFFAOYSA-N -1 1 303.789 3.979 20 0 DHADMM O=C(OCc1ccc(C(F)F)cc1)c1c([O-])cc(F)cc1F ZINC000764529882 1018307768 /nfs/dbraw/zinc/30/77/68/1018307768.db2.gz XPVCKOCEQOPKMQ-UHFFFAOYSA-N -1 1 314.234 3.965 20 0 DHADMM COc1ccccc1-c1ccc(C=C2SC(=O)[N-]C2=O)cc1 ZINC000874927189 1032761656 /nfs/dbraw/zinc/76/16/56/1032761656.db2.gz DPBZKPKERLFAQL-GDNBJRDFSA-N -1 1 311.362 3.686 20 0 DHADMM Cc1nc(C2CC2)oc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278238266 1018421403 /nfs/dbraw/zinc/42/14/03/1018421403.db2.gz SDVKVAFIVSHVEC-UHFFFAOYSA-N -1 1 317.732 3.936 20 0 DHADMM O=C(Nc1ccc2c(c1)CCO2)c1ccc2ccccc2c1[O-] ZINC000383603719 1018421337 /nfs/dbraw/zinc/42/13/37/1018421337.db2.gz CAPUJFYWIKGGSV-UHFFFAOYSA-N -1 1 305.333 3.733 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CC(CC(F)(F)F)C1 ZINC000675415309 1018431741 /nfs/dbraw/zinc/43/17/41/1018431741.db2.gz OZHNQYCHXBGRRJ-UHFFFAOYSA-N -1 1 309.287 3.570 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCC(F)(c2ccccc2)CC1 ZINC000447613463 1018439846 /nfs/dbraw/zinc/43/98/46/1018439846.db2.gz BVTNNGCCDNQCTA-UHFFFAOYSA-N -1 1 317.335 3.632 20 0 DHADMM COc1ccc(-c2nc(-c3ccc(Cl)s3)no2)c([O-])c1 ZINC000384277998 1018474039 /nfs/dbraw/zinc/47/40/39/1018474039.db2.gz AERNZUVNKJEWBP-UHFFFAOYSA-N -1 1 308.746 3.833 20 0 DHADMM C[C@H]1CC[C@@H](CCc2nc(-c3ccc([O-])cc3Cl)no2)O1 ZINC000278267761 1018484861 /nfs/dbraw/zinc/48/48/61/1018484861.db2.gz VJALIYCNEHSPMB-ONGXEEELSA-N -1 1 308.765 3.596 20 0 DHADMM CCOc1cccc([C@@H](C)NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000343287484 1018550333 /nfs/dbraw/zinc/55/03/33/1018550333.db2.gz NXJZCEKEDZVXHZ-SNVBAGLBSA-N -1 1 321.323 3.560 20 0 DHADMM COc1ncc(Nc2c(Cl)ccc([O-])c2Cl)cc1F ZINC001203410390 1018673428 /nfs/dbraw/zinc/67/34/28/1018673428.db2.gz QORMBIUDRBMOBP-UHFFFAOYSA-N -1 1 303.120 3.985 20 0 DHADMM Cc1ccc(Oc2ccc(NC(=O)c3cnncc3[O-])cc2)cc1 ZINC001625879402 1018733252 /nfs/dbraw/zinc/73/32/52/1018733252.db2.gz QTLGQUCDBCFQRF-UHFFFAOYSA-N -1 1 321.336 3.535 20 0 DHADMM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1cc(C(F)(F)F)ccc1Cl ZINC000650794958 1018949111 /nfs/dbraw/zinc/94/91/11/1018949111.db2.gz LYSOGXCBQWPZFO-PRHODGIISA-N -1 1 321.726 3.796 20 0 DHADMM Cc1cc([C@H](C)N2Cc3ccccc3C3(CC3)C2)oc1C(=O)[O-] ZINC000565105164 1018960652 /nfs/dbraw/zinc/96/06/52/1018960652.db2.gz OAYRWWCFNKNHJA-ZDUSSCGKSA-N -1 1 311.381 3.895 20 0 DHADMM CCOc1cc(C(=O)Nc2cnc(C)c(C)c2)cc(Cl)c1[O-] ZINC000921885868 1019050600 /nfs/dbraw/zinc/05/06/00/1019050600.db2.gz XTQFXNCXDLNKAT-UHFFFAOYSA-N -1 1 320.776 3.708 20 0 DHADMM CCCCN(CC(F)(F)F)C(=O)c1ccc(Cl)cc1[O-] ZINC000387149123 1019054691 /nfs/dbraw/zinc/05/46/91/1019054691.db2.gz XXESEKASALGEBH-UHFFFAOYSA-N -1 1 309.715 3.850 20 0 DHADMM O=C1Cc2cc(F)cc(Nc3cc(F)c([O-])c(Cl)c3)c2N1 ZINC001214490580 1019267464 /nfs/dbraw/zinc/26/74/64/1019267464.db2.gz YFIZUTGPYQJNHN-UHFFFAOYSA-N -1 1 310.687 3.562 20 0 DHADMM CC(C)C[C@H](NCc1ccc(-c2ccc(F)cc2)o1)C(=O)[O-] ZINC000113402367 1019278107 /nfs/dbraw/zinc/27/81/07/1019278107.db2.gz DLKSSLLRSLLIDI-HNNXBMFYSA-N -1 1 305.349 3.675 20 0 DHADMM O=C(NCCCCCc1ccc(F)cc1)c1ccc([O-])c(F)c1 ZINC000681758740 1019590385 /nfs/dbraw/zinc/59/03/85/1019590385.db2.gz HQVZZOHOLKUVRG-UHFFFAOYSA-N -1 1 319.351 3.813 20 0 DHADMM O=c1cc(C(F)(F)F)nc(SCc2ccncc2Cl)[n-]1 ZINC000114696110 1019604211 /nfs/dbraw/zinc/60/42/11/1019604211.db2.gz BHLINNPZZYVUTF-UHFFFAOYSA-N -1 1 321.711 3.542 20 0 DHADMM O=C([O-])C1(c2ccc(-c3cc(C(F)(F)F)n[nH]3)cc2)CCC1 ZINC000657203034 1019605178 /nfs/dbraw/zinc/60/51/78/1019605178.db2.gz IFDYTEOBZPJNSX-UHFFFAOYSA-N -1 1 310.275 3.602 20 0 DHADMM O=C(Cc1c[nH]c2ccc(F)cc12)Nc1ccc([O-])c(Cl)c1 ZINC000115729292 1019766385 /nfs/dbraw/zinc/76/63/85/1019766385.db2.gz POPMILUQTGEMTM-UHFFFAOYSA-N -1 1 318.735 3.847 20 0 DHADMM [O-]c1ccc(-c2noc(C34CC(c5ccccc5)(C3)C4)n2)cc1F ZINC000685366099 1019773094 /nfs/dbraw/zinc/77/30/94/1019773094.db2.gz PBVQATICDDYJCQ-UHFFFAOYSA-N -1 1 322.339 3.955 20 0 DHADMM CC(C)(C)c1cnc(NC(=O)c2c(F)ccc([O-])c2F)s1 ZINC000685441535 1019820805 /nfs/dbraw/zinc/82/08/05/1019820805.db2.gz IVNBBFRFMSGUHC-UHFFFAOYSA-N -1 1 312.341 3.677 20 0 DHADMM Cc1cc(CNC(=O)c2c(F)ccc([O-])c2F)ccc1Cl ZINC000685467282 1019851224 /nfs/dbraw/zinc/85/12/24/1019851224.db2.gz OJCYOWPEWRSSDZ-UHFFFAOYSA-N -1 1 311.715 3.562 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCOc2ccccc2C1 ZINC000080446270 1019874842 /nfs/dbraw/zinc/87/48/42/1019874842.db2.gz SIHWGXPQGMZSAA-UHFFFAOYSA-N -1 1 319.360 3.580 20 0 DHADMM CC1(C)CCC(C[N@@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)CC1 ZINC000389982775 1019905340 /nfs/dbraw/zinc/90/53/40/1019905340.db2.gz LBGIVKRRRHSZJF-QGZVFWFLSA-N -1 1 301.430 3.887 20 0 DHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c1 ZINC000069117586 1019952278 /nfs/dbraw/zinc/95/22/78/1019952278.db2.gz UOUHYUZVYHNRBI-UHFFFAOYSA-N -1 1 315.316 3.815 20 0 DHADMM [O-]c1cccc(CN[C@@H]2c3ccccc3OC[C@@H]2F)c1Cl ZINC000922521937 1020112731 /nfs/dbraw/zinc/11/27/31/1020112731.db2.gz OKFMQPYIZDXPFE-BLLLJJGKSA-N -1 1 307.752 3.607 20 0 DHADMM COc1cccc([C@H](C)C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000111666061 1020148499 /nfs/dbraw/zinc/14/84/99/1020148499.db2.gz CIONJGCNAFOFOQ-JTQLQIEISA-N -1 1 305.761 3.796 20 0 DHADMM O=C([N-]Cc1cc(F)ccc1F)C(F)(F)c1ccccc1F ZINC000765781639 1020194031 /nfs/dbraw/zinc/19/40/31/1020194031.db2.gz MBNRECAMVVVBCW-UHFFFAOYSA-N -1 1 315.241 3.512 20 0 DHADMM O=c1nc(N[C@H]2CCC[C@H]2Cc2ccccc2)cc(Cl)[n-]1 ZINC000858417022 1032885385 /nfs/dbraw/zinc/88/53/85/1032885385.db2.gz KZPATQXMAMXCON-STQMWFEESA-N -1 1 303.793 3.659 20 0 DHADMM [O-]c1ccc(Cl)c(F)c1CNc1ncccc1OC(F)F ZINC000191557126 1020339811 /nfs/dbraw/zinc/33/98/11/1020339811.db2.gz CXRODKKILJTSKQ-UHFFFAOYSA-N -1 1 318.682 3.793 20 0 DHADMM O=C(c1ccc(Br)cc1[O-])N1CCC2(CCC2)CC1 ZINC000308735060 1020414916 /nfs/dbraw/zinc/41/49/16/1020414916.db2.gz XSLFVJVQYVIUOR-UHFFFAOYSA-N -1 1 324.218 3.561 20 0 DHADMM COC[C@H](C)CC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000628233325 1020426873 /nfs/dbraw/zinc/42/68/73/1020426873.db2.gz WGKUTIRKIMMEHE-SNVBAGLBSA-N -1 1 307.777 3.810 20 0 DHADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C)c(F)c1 ZINC000055548147 1020450655 /nfs/dbraw/zinc/45/06/55/1020450655.db2.gz JTUMECLALLEZHR-UHFFFAOYSA-N -1 1 307.390 3.806 20 0 DHADMM O=C(N[C@@H](Cc1ccccc1)C1CC1)c1c([O-])cccc1Cl ZINC000736725978 1020828999 /nfs/dbraw/zinc/82/89/99/1020828999.db2.gz DUNBWQNDSLVXLH-HNNXBMFYSA-N -1 1 315.800 3.797 20 0 DHADMM O=C(OCc1ccc2ccccc2n1)c1c([O-])cc(F)cc1F ZINC000736803959 1020831674 /nfs/dbraw/zinc/83/16/74/1020831674.db2.gz YMJYBTCGVRSQBW-UHFFFAOYSA-N -1 1 315.275 3.576 20 0 DHADMM Cc1nc(CNC(=O)c2ccc3ccccc3c2[O-])sc1C ZINC000173304706 1020908288 /nfs/dbraw/zinc/90/82/88/1020908288.db2.gz RGNBXYKJTHAIPX-UHFFFAOYSA-N -1 1 312.394 3.549 20 0 DHADMM C[C@@H]1CN(C(=O)c2ncc3ccccc3c2[O-])[C@H]2CCCC[C@H]12 ZINC000613398837 1020935149 /nfs/dbraw/zinc/93/51/49/1020935149.db2.gz MBEJAKQZCZSORW-XPKDYRNWSA-N -1 1 310.397 3.591 20 0 DHADMM Cc1c(NC(=O)c2ccc(O)cc2[O-])sc2c1CCCC2 ZINC000174063470 1020952359 /nfs/dbraw/zinc/95/23/59/1020952359.db2.gz RPROJEYDOZWQEV-UHFFFAOYSA-N -1 1 303.383 3.599 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CCS[C@@H]2CCCC[C@H]21 ZINC000175500336 1021050636 /nfs/dbraw/zinc/05/06/36/1021050636.db2.gz QNBHLJLVJMAOLB-TZMCWYRMSA-N -1 1 311.834 3.546 20 0 DHADMM [O-]c1c(Br)cccc1CNc1nc2ccccc2o1 ZINC000181502789 1021214857 /nfs/dbraw/zinc/21/48/57/1021214857.db2.gz ROOZQEVDIWHHRG-UHFFFAOYSA-N -1 1 319.158 3.908 20 0 DHADMM Cc1ccc(NC(=O)Nc2nc(Br)ccc2[O-])cc1 ZINC001202422796 1021243977 /nfs/dbraw/zinc/24/39/77/1021243977.db2.gz SCHKSWHYRSROTQ-UHFFFAOYSA-N -1 1 322.162 3.502 20 0 DHADMM C[C@]1(c2ccccc2)C[C@H]1NC(=O)c1c([O-])cccc1Cl ZINC000743643517 1021336069 /nfs/dbraw/zinc/33/60/69/1021336069.db2.gz YXXOLYLYQINGGB-RHSMWYFYSA-N -1 1 301.773 3.506 20 0 DHADMM CCCCOc1cccc([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000589433828 1021442874 /nfs/dbraw/zinc/44/28/74/1021442874.db2.gz RVNNZOCZQMDKMH-UHFFFAOYSA-N -1 1 319.426 3.975 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@H](CCF)C1 ZINC000618696939 1021493113 /nfs/dbraw/zinc/49/31/13/1021493113.db2.gz YAEDNKGMSAYHQK-SNVBAGLBSA-N -1 1 319.298 3.623 20 0 DHADMM CC(C)[C@H]1N(C(=O)c2ccc(Cl)cc2[O-])CC12CC=CC2 ZINC000649144232 1021585858 /nfs/dbraw/zinc/58/58/58/1021585858.db2.gz RLCNLNOMEPQPLC-OAHLLOKOSA-N -1 1 305.805 3.862 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc(C)c(C)s2)c1 ZINC000744771418 1021603041 /nfs/dbraw/zinc/60/30/41/1021603041.db2.gz OVISLHRZGRGZCG-UHFFFAOYSA-N -1 1 318.394 3.673 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2coc3ccccc23)c1 ZINC000745027481 1021641241 /nfs/dbraw/zinc/64/12/41/1021641241.db2.gz VUJQCFWPVZZMQW-UHFFFAOYSA-N -1 1 324.332 3.741 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H]2CCC[C@@H](C)C2)c1 ZINC000745156821 1021668032 /nfs/dbraw/zinc/66/80/32/1021668032.db2.gz LYPZSZREZFIVFE-WBMJQRKESA-N -1 1 304.386 3.507 20 0 DHADMM CC[C@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccccc1 ZINC000613668069 1021672398 /nfs/dbraw/zinc/67/23/98/1021672398.db2.gz REQTZKXMQBGAGQ-INIZCTEOSA-N -1 1 321.380 3.915 20 0 DHADMM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1cccc(F)c1F ZINC000746172280 1021876976 /nfs/dbraw/zinc/87/69/76/1021876976.db2.gz JAUPKXCLSUDIPE-UHFFFAOYSA-N -1 1 306.190 3.532 20 0 DHADMM O=C(c1ccc([O-])cc1)C1CCN(CC=C(Cl)Cl)CC1 ZINC000851821509 1022016342 /nfs/dbraw/zinc/01/63/42/1022016342.db2.gz SZRSAKZLEBIGEA-UHFFFAOYSA-N -1 1 314.212 3.606 20 0 DHADMM C[C@H](SCCC[N-]C(=O)C(F)(F)F)c1ccccc1F ZINC000178335199 1022121191 /nfs/dbraw/zinc/12/11/91/1022121191.db2.gz CIEZBRWWPNPBQL-VIFPVBQESA-N -1 1 309.328 3.689 20 0 DHADMM O=C(NCC1(c2ccccc2)CCC1)c1c([O-])cccc1Cl ZINC000920437972 1022127809 /nfs/dbraw/zinc/12/78/09/1022127809.db2.gz GWQFRXDPQYFYAR-UHFFFAOYSA-N -1 1 315.800 3.897 20 0 DHADMM CCC(CC)N(C(=O)NCc1ccc([O-])c(Cl)c1)C1CC1 ZINC000876393688 1033034410 /nfs/dbraw/zinc/03/44/10/1033034410.db2.gz KUBWRAOGPCHOTI-UHFFFAOYSA-N -1 1 310.825 3.908 20 0 DHADMM C[C@H]([C@H](C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)C(C)(C)C ZINC001168922563 1022183973 /nfs/dbraw/zinc/18/39/73/1022183973.db2.gz OONLACNXUKTGGW-QWHCGFSZSA-N -1 1 315.417 3.835 20 0 DHADMM CC(C)N(Cc1ccco1)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876394211 1033036862 /nfs/dbraw/zinc/03/68/62/1033036862.db2.gz RUMKJCUBBLJVTA-UHFFFAOYSA-N -1 1 322.792 3.759 20 0 DHADMM CN(C[C@@H]1CC=CCC1)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876395886 1033037344 /nfs/dbraw/zinc/03/73/44/1033037344.db2.gz RCHPLARQPXVPHM-GFCCVEGCSA-N -1 1 308.809 3.543 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c(F)c1 ZINC000404982303 1022228475 /nfs/dbraw/zinc/22/84/75/1022228475.db2.gz OQHHTGHZFGVLAI-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM CC[C@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)[C@@H]1CC1(C)C ZINC000416276451 1022230290 /nfs/dbraw/zinc/23/02/90/1022230290.db2.gz MQVZKQUSQGIVSH-JQWIXIFHSA-N -1 1 311.809 3.609 20 0 DHADMM Cc1noc(C2CC2)c1NC(=O)c1cc2ccccc2cc1[O-] ZINC000154115706 1022278204 /nfs/dbraw/zinc/27/82/04/1022278204.db2.gz HDRBYXKQURYMHK-UHFFFAOYSA-N -1 1 308.337 3.972 20 0 DHADMM Cc1ccc(C[C@]2(C)CCCN2C(=O)c2ncc(C)cc2[O-])cc1 ZINC001169224507 1022311524 /nfs/dbraw/zinc/31/15/24/1022311524.db2.gz GNMXNKBWRNAKMJ-FQEVSTJZSA-N -1 1 324.424 3.641 20 0 DHADMM O=S(=O)([N-]c1cccc(F)c1F)c1cc(F)ccc1Cl ZINC000078487729 1022319434 /nfs/dbraw/zinc/31/94/34/1022319434.db2.gz DQKJFAFTSGMTEB-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM O=C(c1ccc([O-])cc1F)N(CCc1cccc(F)c1)C1CC1 ZINC000154893864 1022341993 /nfs/dbraw/zinc/34/19/93/1022341993.db2.gz CUUVHGWHOCNXSR-UHFFFAOYSA-N -1 1 317.335 3.518 20 0 DHADMM C[C@H]1CN(C(=O)c2ccc([O-])cc2F)CC[C@@H]1c1ccccc1 ZINC000154931306 1022344285 /nfs/dbraw/zinc/34/42/85/1022344285.db2.gz LFDSEBILGUEWJK-BBRMVZONSA-N -1 1 313.372 3.797 20 0 DHADMM O=C(CCCC1CCOCC1)Nc1cc(F)c([O-])cc1Cl ZINC000885678979 1022466323 /nfs/dbraw/zinc/46/63/23/1022466323.db2.gz ZVXNDRGUJBVYRZ-UHFFFAOYSA-N -1 1 315.772 3.720 20 0 DHADMM CC[C@H]1CO[C@@H](C)CN1Cc1c2ccccc2sc1C(=O)[O-] ZINC000315352199 1022632798 /nfs/dbraw/zinc/63/27/98/1022632798.db2.gz PTQOVGABMOBKQP-RYUDHWBXSA-N -1 1 319.426 3.599 20 0 DHADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000616328292 1022691899 /nfs/dbraw/zinc/69/18/99/1022691899.db2.gz IXNOBJIQICPIGI-HZPDHXFCSA-N -1 1 310.397 3.586 20 0 DHADMM Cc1c(=O)[n-]c(SCc2cscn2)nc1-c1ccccc1 ZINC000767434832 1022717443 /nfs/dbraw/zinc/71/74/43/1022717443.db2.gz KYGDOXROWMTIRT-UHFFFAOYSA-N -1 1 315.423 3.906 20 0 DHADMM [O-]c1ccc(-c2nc(-c3ccc(-c4cc[nH]n4)cc3)no2)c(F)c1 ZINC000776876801 1022758986 /nfs/dbraw/zinc/75/89/86/1022758986.db2.gz FPZCHWNJYLDAOC-UHFFFAOYSA-N -1 1 322.299 3.638 20 0 DHADMM CCc1nc(CNCc2ccc3c(c2)CCCC3)ccc1C(=O)[O-] ZINC000417566431 1022789475 /nfs/dbraw/zinc/78/94/75/1022789475.db2.gz NIUFILJPEUENAA-UHFFFAOYSA-N -1 1 324.424 3.511 20 0 DHADMM Cc1cnc(SCC(=O)c2cc(C)c(C)c(C)c2C)[n-]c1=O ZINC000584850860 1022810808 /nfs/dbraw/zinc/81/08/08/1022810808.db2.gz RKKMQMUCIRZMLW-UHFFFAOYSA-N -1 1 316.426 3.699 20 0 DHADMM CC[C@H](C)[C@H](NC(=O)c1c([O-])cccc1Cl)C(F)(F)F ZINC000769081615 1023085268 /nfs/dbraw/zinc/08/52/68/1023085268.db2.gz GEBOLVGAKWPDAM-CPCISQLKSA-N -1 1 309.715 3.752 20 0 DHADMM Cc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])s1 ZINC000622311377 1023110514 /nfs/dbraw/zinc/11/05/14/1023110514.db2.gz VDYXHVKQNIZHEL-UHFFFAOYSA-N -1 1 315.316 3.711 20 0 DHADMM COCc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1 ZINC000194241022 1023161186 /nfs/dbraw/zinc/16/11/86/1023161186.db2.gz JWABWYVZSNTTJN-UHFFFAOYSA-N -1 1 319.426 3.757 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cc(F)c(Cl)cc1F ZINC000194580986 1023177503 /nfs/dbraw/zinc/17/75/03/1023177503.db2.gz XXEYIPSBFDRPQN-UHFFFAOYSA-N 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C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2sccc2Cl)[C@@H]1C ZINC001211697132 1024548306 /nfs/dbraw/zinc/54/83/06/1024548306.db2.gz KYDXSAHQWAOSNT-GMTAPVOTSA-N -1 1 321.895 3.752 20 0 DHADMM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2sccc2Cl)[C@H]1C ZINC001211697134 1024549413 /nfs/dbraw/zinc/54/94/13/1024549413.db2.gz KYDXSAHQWAOSNT-OUAUKWLOSA-N -1 1 321.895 3.752 20 0 DHADMM Cc1ccc(Nc2[n-]c(=O)nc3nc[nH]c32)cc1-c1ccccc1 ZINC001170230849 1024700757 /nfs/dbraw/zinc/70/07/57/1024700757.db2.gz ZQFLCYZTHSPZFV-UHFFFAOYSA-N -1 1 317.352 3.778 20 0 DHADMM CC(C)(C)c1ncc(/C=C\C(=O)Nc2c([O-])cccc2F)s1 ZINC000760196791 1024704915 /nfs/dbraw/zinc/70/49/15/1024704915.db2.gz XUZGBDCMSUZEAP-FPLPWBNLSA-N -1 1 320.389 3.937 20 0 DHADMM C/C(=C/C(C)(C)C)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000772822882 1024824288 /nfs/dbraw/zinc/82/42/88/1024824288.db2.gz MSQXSNZIEZCKEC-LUAWRHEFSA-N -1 1 316.353 3.534 20 0 DHADMM O=C([O-])c1cccc(CNCc2ccccc2OC2CCC2)c1 ZINC000263423689 1024987169 /nfs/dbraw/zinc/98/71/69/1024987169.db2.gz PRYUXKOUWXZEEU-UHFFFAOYSA-N -1 1 311.381 3.606 20 0 DHADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1cccc(Cl)c1Cl ZINC000263527795 1025070046 /nfs/dbraw/zinc/07/00/46/1025070046.db2.gz UWKFZWXAZYHDBM-GXSJLCMTSA-N -1 1 302.201 3.679 20 0 DHADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1csc(-c2ccsc2)n1 ZINC000263527772 1025069371 /nfs/dbraw/zinc/06/93/71/1025069371.db2.gz UVNFBSJULSMQLY-WDEREUQCSA-N -1 1 322.455 3.557 20 0 DHADMM COc1ccc(NC(=O)Nc2cc(F)c(F)cc2[O-])c(C)c1 ZINC001202727278 1025090798 /nfs/dbraw/zinc/09/07/98/1025090798.db2.gz HVFOAWIEDOFJKN-UHFFFAOYSA-N -1 1 308.284 3.631 20 0 DHADMM COc1ccc(NC(=O)Nc2cc(F)cc(F)c2[O-])c(C)c1 ZINC001202728382 1025102953 /nfs/dbraw/zinc/10/29/53/1025102953.db2.gz SXWCVUQIRAPNGN-UHFFFAOYSA-N -1 1 308.284 3.631 20 0 DHADMM CC(C)Oc1cccc([C@H](C)NCc2cc(C(=O)[O-])co2)c1 ZINC000318989771 1025128375 /nfs/dbraw/zinc/12/83/75/1025128375.db2.gz ATOHYGWAAPSNKI-LBPRGKRZSA-N -1 1 303.358 3.616 20 0 DHADMM O=S(=O)([N-]c1cccc2[nH]ccc21)c1ccc2ncccc2c1 ZINC000353654610 1025178657 /nfs/dbraw/zinc/17/86/57/1025178657.db2.gz DNPMCEYIUXDGFU-UHFFFAOYSA-N -1 1 323.377 3.517 20 0 DHADMM C[C@@H](c1cccc(O)c1)N(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000092602200 1025194998 /nfs/dbraw/zinc/19/49/98/1025194998.db2.gz KYXJMZJCWWUNEM-JTQLQIEISA-N -1 1 305.761 3.584 20 0 DHADMM CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)Cc1ccccc1)C(F)(F)F ZINC000793970547 1025200924 /nfs/dbraw/zinc/20/09/24/1025200924.db2.gz BTRQBAPWZWYJKM-ZYHUDNBSSA-N -1 1 323.305 3.958 20 0 DHADMM C[C@H]1CCN(Cc2ccc(Cl)cc2Cl)[C@@H](C(=O)[O-])C1 ZINC000229297128 1025255157 /nfs/dbraw/zinc/25/51/57/1025255157.db2.gz AMKOSLROHVHQBD-TVQRCGJNSA-N -1 1 302.201 3.679 20 0 DHADMM CC1(C)CCc2nc(NC(=O)c3ccc(F)c([O-])c3)sc2C1 ZINC001299495338 1025367207 /nfs/dbraw/zinc/36/72/07/1025367207.db2.gz FIWQVYHOEKAFIV-UHFFFAOYSA-N -1 1 320.389 3.755 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)C12CC(C(F)(F)F)(C1)C2 ZINC000885677901 1025379033 /nfs/dbraw/zinc/37/90/33/1025379033.db2.gz CKOZVLRBYUHPPQ-UHFFFAOYSA-N -1 1 323.673 3.856 20 0 DHADMM Cc1noc(C(C)C)c1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885674033 1025379094 /nfs/dbraw/zinc/37/90/94/1025379094.db2.gz DBNBPBCTIXOSLC-UHFFFAOYSA-N -1 1 312.728 3.857 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@@H]1CCCCCC(=O)C1 ZINC000885678244 1025380005 /nfs/dbraw/zinc/38/00/05/1025380005.db2.gz KQQXHVQSMWUFEJ-SECBINFHSA-N -1 1 313.756 3.663 20 0 DHADMM CO[C@@H](C(=O)Nc1cc(F)c([O-])cc1Cl)C1CCCCC1 ZINC000885680790 1025381325 /nfs/dbraw/zinc/38/13/25/1025381325.db2.gz ZHIIRPSISCGRGR-CQSZACIVSA-N -1 1 315.772 3.719 20 0 DHADMM CCS(=O)(CC)=NC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000925876110 1025405078 /nfs/dbraw/zinc/40/50/78/1025405078.db2.gz RFOXVFCLXNNUAY-UHFFFAOYSA-N -1 1 304.824 3.531 20 0 DHADMM CC(C)c1ccc(C[C@H]2CCN(C(=O)c3cncc([O-])c3)C2)cc1 ZINC000354704070 1025485319 /nfs/dbraw/zinc/48/53/19/1025485319.db2.gz VWQWJZHWTUZIJA-MRXNPFEDSA-N -1 1 324.424 3.615 20 0 DHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1coc2ccccc12 ZINC000354746692 1025495492 /nfs/dbraw/zinc/49/54/92/1025495492.db2.gz WICWMJPFCHXQBE-UHFFFAOYSA-N -1 1 319.320 3.781 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC[C@H](C(C)C)CC1 ZINC000747395092 1026058782 /nfs/dbraw/zinc/05/87/82/1026058782.db2.gz FJSPVVCKUUBGQW-AWEZNQCLSA-N -1 1 319.449 3.512 20 0 DHADMM O=C(c1ncc2ccccc2c1[O-])N(CC1CC1)CC1CCC1 ZINC000614309327 1026073628 /nfs/dbraw/zinc/07/36/28/1026073628.db2.gz UAWRKXKVEFEVHY-UHFFFAOYSA-N -1 1 310.397 3.593 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)CC2(C)CCCC2)c1 ZINC000808622008 1026341763 /nfs/dbraw/zinc/34/17/63/1026341763.db2.gz MTUIVBZVRDCLCR-UHFFFAOYSA-N -1 1 304.386 3.651 20 0 DHADMM CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1cccc([O-])c1Cl ZINC000513280603 1026470326 /nfs/dbraw/zinc/47/03/26/1026470326.db2.gz BMKXQTDSZVOBNC-UHFFFAOYSA-N -1 1 307.825 3.698 20 0 DHADMM C[C@H](NCc1ccc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)[O-] ZINC000261994418 1026472291 /nfs/dbraw/zinc/47/22/91/1026472291.db2.gz KRNPWLAASBYNCL-LBPRGKRZSA-N -1 1 301.386 3.807 20 0 DHADMM Cc1ccc(Cc2nc(-c3ccc([O-])c(F)c3)no2)c(Cl)n1 ZINC000809471034 1026533795 /nfs/dbraw/zinc/53/37/95/1026533795.db2.gz OPGNFKGWTKVCMM-UHFFFAOYSA-N -1 1 319.723 3.529 20 0 DHADMM O=C(Nc1nc2c(s1)CCCCC2)c1c(F)ccc([O-])c1F ZINC000280715124 1026699466 /nfs/dbraw/zinc/69/94/66/1026699466.db2.gz GRVZDMVASMBJSV-UHFFFAOYSA-N -1 1 324.352 3.648 20 0 DHADMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccnc(Cl)c2C)c(C)c1 ZINC000811836023 1027096011 /nfs/dbraw/zinc/09/60/11/1027096011.db2.gz AFLNNGMIDNAOQY-UHFFFAOYSA-N -1 1 324.833 3.769 20 0 DHADMM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000811836329 1027096421 /nfs/dbraw/zinc/09/64/21/1027096421.db2.gz OOSXBKMELLXGQI-UHFFFAOYSA-N -1 1 324.833 3.968 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(F)c2Cl)s1 ZINC000571597174 1027136758 /nfs/dbraw/zinc/13/67/58/1027136758.db2.gz FMBYZRFAJXLHMX-UHFFFAOYSA-N -1 1 319.810 3.904 20 0 DHADMM CCOc1ccccc1CN(C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000572180581 1027180603 /nfs/dbraw/zinc/18/06/03/1027180603.db2.gz GKFURSOCARUYBG-UHFFFAOYSA-N -1 1 317.360 3.555 20 0 DHADMM C[C@@H](C(=O)[N-]OC/C=C/Cl)c1ccc(C(F)(F)F)cc1 ZINC000812408933 1027287063 /nfs/dbraw/zinc/28/70/63/1027287063.db2.gz UTZZVXQSWNQODV-WEMAUNJASA-N -1 1 307.699 3.609 20 0 DHADMM CC(C)(C)C1CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000573300831 1027280170 /nfs/dbraw/zinc/28/01/70/1027280170.db2.gz GSNXLVCBERDORN-UHFFFAOYSA-N -1 1 318.804 3.712 20 0 DHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C)cc1Cl ZINC000573399192 1027292756 /nfs/dbraw/zinc/29/27/56/1027292756.db2.gz IHFLZRHMNKJOGA-UHFFFAOYSA-N -1 1 323.801 3.652 20 0 DHADMM C[C@@H](C(=O)[N-]OC1CCCC1)c1cccc(Br)c1 ZINC000812543044 1027315231 /nfs/dbraw/zinc/31/52/31/1027315231.db2.gz NWXSQTCTYZAANS-SNVBAGLBSA-N -1 1 312.207 3.543 20 0 DHADMM O=C([N-]c1ccon1)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000812542879 1027318409 /nfs/dbraw/zinc/31/84/09/1027318409.db2.gz LOFZAERPKZAEEJ-UHFFFAOYSA-N -1 1 323.230 3.601 20 0 DHADMM C[C@H]1COCC[C@H]1c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000562463488 1027452097 /nfs/dbraw/zinc/45/20/97/1027452097.db2.gz WHQAHLGTVYKKTF-WCQYABFASA-N -1 1 310.353 3.735 20 0 DHADMM CC(C)(C)C(=O)CCCc1nc(-c2ccc([O-])cc2F)no1 ZINC000296897520 1027754436 /nfs/dbraw/zinc/75/44/36/1027754436.db2.gz OVEQVMIDPQADCX-UHFFFAOYSA-N -1 1 306.337 3.519 20 0 DHADMM O=c1cc(C(F)F)nc(SCc2ccc(F)cc2F)[n-]1 ZINC000577785423 1027929262 /nfs/dbraw/zinc/92/92/62/1027929262.db2.gz KZVUQOOFLACUKM-UHFFFAOYSA-N -1 1 304.268 3.690 20 0 DHADMM O=C(C[C@H]1CCOc2ccccc21)Nc1ccc([O-])c(Cl)c1 ZINC000117991824 1028230266 /nfs/dbraw/zinc/23/02/66/1028230266.db2.gz OVTFDBGMYKIODS-LLVKDONJSA-N -1 1 317.772 3.941 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)CC(C)(C)C2CC2)c1 ZINC000815469096 1028514961 /nfs/dbraw/zinc/51/49/61/1028514961.db2.gz WKFPBXFMDIPYQV-UHFFFAOYSA-N -1 1 304.386 3.507 20 0 DHADMM O=C([O-])C[C@H]1CCCN(Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000566608060 1028752482 /nfs/dbraw/zinc/75/24/82/1028752482.db2.gz CKNUWHPHFFNFSP-SNVBAGLBSA-N -1 1 319.298 3.531 20 0 DHADMM Cc1oc(CN(C)[C@H]2CCCc3ccc(F)cc32)cc1C(=O)[O-] ZINC000567241612 1028858890 /nfs/dbraw/zinc/85/88/90/1028858890.db2.gz BGVHUHGMJUUNPA-KRWDZBQOSA-N -1 1 317.360 3.935 20 0 DHADMM CC[C@H](C)OCC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000628233182 1028951610 /nfs/dbraw/zinc/95/16/10/1028951610.db2.gz MGUYWAIAYGTKTC-JTQLQIEISA-N -1 1 307.777 3.952 20 0 DHADMM [O-]c1ccc(-c2noc([C@@H]3C[C@]34CCc3ccccc34)n2)c(F)c1 ZINC000568158978 1029016302 /nfs/dbraw/zinc/01/63/02/1029016302.db2.gz IDEYEHKZAJOLNM-KXBFYZLASA-N -1 1 322.339 3.953 20 0 DHADMM [O-]c1ccc(-c2noc([C@H]3C[C@@]34CCc3ccccc34)n2)c(F)c1 ZINC000568158976 1029016560 /nfs/dbraw/zinc/01/65/60/1029016560.db2.gz IDEYEHKZAJOLNM-DNVCBOLYSA-N -1 1 322.339 3.953 20 0 DHADMM Cc1nc(-c2cccs2)c(CC(=O)[N-]OCCC2CC2)s1 ZINC000817442232 1029170573 /nfs/dbraw/zinc/17/05/73/1029170573.db2.gz ZUPDCUKPOXKJEP-UHFFFAOYSA-N -1 1 322.455 3.570 20 0 DHADMM CCOc1ccc(C[C@H](C)C(=O)Nc2cccc(F)c2[O-])cc1 ZINC000628959980 1029196417 /nfs/dbraw/zinc/19/64/17/1029196417.db2.gz GXMBALSDCKZVFS-LBPRGKRZSA-N -1 1 317.360 3.747 20 0 DHADMM CCOC(=O)c1cc(-c2c(F)ccc([O-])c2Cl)ncc1C ZINC001245830585 1029335683 /nfs/dbraw/zinc/33/56/83/1029335683.db2.gz SMZRICYSRJARLM-UHFFFAOYSA-N -1 1 309.724 3.732 20 0 DHADMM CO[C@@H](C(=O)Nc1cc(Cl)c([O-])c2ccccc12)C1CC1 ZINC000529538708 1029376597 /nfs/dbraw/zinc/37/65/97/1029376597.db2.gz KIHFPHJZDBQNKN-OAHLLOKOSA-N -1 1 305.761 3.562 20 0 DHADMM O=C(Nc1cccc(C2CCOCC2)c1)c1cc(F)ccc1[O-] ZINC000529934591 1029640007 /nfs/dbraw/zinc/64/00/07/1029640007.db2.gz DDNJRBHLVGRWTC-UHFFFAOYSA-N -1 1 315.344 3.678 20 0 DHADMM CCN(C(=O)c1cccc([O-])c1F)[C@H](C)c1ccc(F)cc1 ZINC001136315759 1029702645 /nfs/dbraw/zinc/70/26/45/1029702645.db2.gz JEYPWWYHVYWVRS-LLVKDONJSA-N -1 1 305.324 3.894 20 0 DHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc2[nH]ccc2c1 ZINC000391680787 1029771580 /nfs/dbraw/zinc/77/15/80/1029771580.db2.gz SJVCQECZHRIVIP-UHFFFAOYSA-N -1 1 318.336 3.516 20 0 DHADMM C[C@H]1CC=CC[C@H]1C(=O)Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000357336829 1030003678 /nfs/dbraw/zinc/00/36/78/1030003678.db2.gz MNAXWSKELXMDFQ-WCQYABFASA-N -1 1 322.368 3.759 20 0 DHADMM CCCCn1ncc(C(=O)Nc2ccc([O-])c(Cl)c2)c1C ZINC000357364800 1030020337 /nfs/dbraw/zinc/02/03/37/1030020337.db2.gz AAPOMHBDZRSXBP-UHFFFAOYSA-N -1 1 307.781 3.603 20 0 DHADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CCC1(F)F ZINC000291073243 1030325735 /nfs/dbraw/zinc/32/57/35/1030325735.db2.gz YWWPQFKINMHRDL-MRVPVSSYSA-N -1 1 323.261 3.528 20 0 DHADMM Cc1ccc(C[C@@H]2CCCN2C(=O)c2cccc([O-])c2F)cc1 ZINC001136763857 1030365419 /nfs/dbraw/zinc/36/54/19/1030365419.db2.gz IJRAWCFJIHKLFF-HNNXBMFYSA-N -1 1 313.372 3.687 20 0 DHADMM CC[C@@H](C)n1ncc(C(=O)Nc2ccc([O-])c(Cl)c2)c1C ZINC000358213926 1030381219 /nfs/dbraw/zinc/38/12/19/1030381219.db2.gz UTSHAJQCDHGNCX-SECBINFHSA-N -1 1 307.781 3.774 20 0 DHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NC2CCCC2)c1 ZINC000825011407 1030685238 /nfs/dbraw/zinc/68/52/38/1030685238.db2.gz JECJOUPZYLIKIG-UHFFFAOYSA-N -1 1 300.324 3.528 20 0 DHADMM CC(C)(C)Oc1ccccc1CNC(=O)c1c([O-])cccc1F ZINC001137031472 1030800171 /nfs/dbraw/zinc/80/01/71/1030800171.db2.gz RDEOJQWOARQSRR-UHFFFAOYSA-N -1 1 317.360 3.639 20 0 DHADMM CC(C)(C)c1cnc(COC(=O)Cc2ccc([O-])c(Cl)c2)o1 ZINC000869736075 1030849485 /nfs/dbraw/zinc/84/94/85/1030849485.db2.gz AFJWSSZSZKPGGM-UHFFFAOYSA-N -1 1 323.776 3.617 20 0 DHADMM CCc1ccc(C(=O)Nc2ccnn2C2CCCCC2)c([O-])c1 ZINC001143753138 1030946472 /nfs/dbraw/zinc/94/64/72/1030946472.db2.gz OKRGAWLZTSWNFZ-UHFFFAOYSA-N -1 1 313.401 3.909 20 0 DHADMM C[C@@H](C(=O)[O-])N(C)Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000263431026 1031192481 /nfs/dbraw/zinc/19/24/81/1031192481.db2.gz SBOPQCGHSGBMNY-JTQLQIEISA-N -1 1 309.818 3.973 20 0 DHADMM CCO[C@H](C)c1ncc(C(=O)[N-]c2c(F)cccc2F)s1 ZINC000359989800 1031233634 /nfs/dbraw/zinc/23/36/34/1031233634.db2.gz AQBDVYOAYUIQRH-MRVPVSSYSA-N -1 1 312.341 3.771 20 0 DHADMM CCOc1cc(C(=O)N(C)C2(C)CCCC2)cc(Cl)c1[O-] ZINC000428658709 1031308672 /nfs/dbraw/zinc/30/86/72/1031308672.db2.gz AMOGQPYBCMPWJY-UHFFFAOYSA-N -1 1 311.809 3.849 20 0 DHADMM CC(C)c1cccnc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000844826917 1031367900 /nfs/dbraw/zinc/36/79/00/1031367900.db2.gz YHMJUJQDMUIIMW-UHFFFAOYSA-N -1 1 324.833 3.800 20 0 DHADMM Cc1nc(C)c(CN[C@@H](CC(=O)[O-])c2ccccc2Cl)s1 ZINC000871883810 1031373466 /nfs/dbraw/zinc/37/34/66/1031373466.db2.gz YSVXFMDINLJOMC-ZDUSSCGKSA-N -1 1 324.833 3.719 20 0 DHADMM CC1(C)CCc2c([n-]n([C@H]3CCOC4(CCCC4)C3)c2=O)C1 ZINC000871963149 1031387906 /nfs/dbraw/zinc/38/79/06/1031387906.db2.gz FAJAMLIZPCEURU-UONOGXRCSA-N -1 1 304.434 3.503 20 0 DHADMM CCc1ccc([N-]S(=O)(=O)c2ccc(COC)cc2)cc1C ZINC000536992455 1031484512 /nfs/dbraw/zinc/48/45/12/1031484512.db2.gz HJDUEUHOFLQYCR-UHFFFAOYSA-N -1 1 319.426 3.505 20 0 DHADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c1 ZINC000476252887 1031776052 /nfs/dbraw/zinc/77/60/52/1031776052.db2.gz CHMAOUXAVMZOLP-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM Cc1ccc([C@@H]2CCCN2Cc2cc(F)c([O-])cc2F)cn1 ZINC001144659291 1031811547 /nfs/dbraw/zinc/81/15/47/1031811547.db2.gz CAZACKPRSNYLCR-INIZCTEOSA-N -1 1 304.340 3.711 20 0 DHADMM [O-]c1cc(F)c(CN2CCc3c4ccccc4oc3C2)cc1F ZINC001144660224 1031816742 /nfs/dbraw/zinc/81/67/42/1031816742.db2.gz WOSGRGKBFNQMGN-UHFFFAOYSA-N -1 1 315.319 3.975 20 0 DHADMM CC1(C)CN(C(=O)c2ccc3ccc(O)cc3c2[O-])[C@H]1C1CC1 ZINC000897800409 1031841725 /nfs/dbraw/zinc/84/17/25/1031841725.db2.gz XIETZSCRLPJGBY-KRWDZBQOSA-N -1 1 311.381 3.512 20 0 DHADMM CC1(C)C[C@@]1(C(=O)Nc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC001142545983 1031999999 /nfs/dbraw/zinc/99/99/99/1031999999.db2.gz OCSZKCQKFWUHIA-SFHVURJKSA-N -1 1 317.335 3.977 20 0 DHADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@H]1SCCc2ccccc21 ZINC001142543021 1032005885 /nfs/dbraw/zinc/00/58/85/1032005885.db2.gz YWVIJHNNCYZTLF-HNNXBMFYSA-N -1 1 321.348 3.640 20 0 DHADMM [O-]c1cc(Nc2ccc(Cn3ccnc3)cc2)cc(F)c1F ZINC001212697637 1033503533 /nfs/dbraw/zinc/50/35/33/1033503533.db2.gz LBPUYPOBKKWETO-UHFFFAOYSA-N -1 1 301.296 3.659 20 0 DHADMM O=C(c1ncc2ccccc2c1[O-])N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000667412417 1033596007 /nfs/dbraw/zinc/59/60/07/1033596007.db2.gz IAJPODYAHCGMMB-KKNUOHPOSA-N -1 1 322.408 3.591 20 0 DHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC[C@H]1C1CCCC1 ZINC000889413890 1033664585 /nfs/dbraw/zinc/66/45/85/1033664585.db2.gz JDVWSFIFFQSWMH-KRWDZBQOSA-N -1 1 311.381 3.656 20 0 DHADMM Cc1cc(C(=O)N(C)C)ccc1Nc1cc([O-])c(Cl)cc1F ZINC001212731517 1033749869 /nfs/dbraw/zinc/74/98/69/1033749869.db2.gz MFICKNSTHGLVRZ-UHFFFAOYSA-N -1 1 322.767 3.939 20 0 DHADMM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1C1CC1 ZINC000479533511 1033796476 /nfs/dbraw/zinc/79/64/76/1033796476.db2.gz SLMACXOGXAICDJ-UHFFFAOYSA-N -1 1 305.374 3.812 20 0 DHADMM Cc1cccc(F)c1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000479519577 1033797953 /nfs/dbraw/zinc/79/79/53/1033797953.db2.gz WUUBIHSHDSJPAN-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC[C@H]1CCCC1(C)C ZINC000862362456 1033832469 /nfs/dbraw/zinc/83/24/69/1033832469.db2.gz GCYKGOCEXLRKFO-CYBMUJFWSA-N -1 1 319.449 3.560 20 0 DHADMM CS(=O)(=O)c1ccc([O-])c(Nc2cccc3ccccc32)c1 ZINC001173797604 1033868835 /nfs/dbraw/zinc/86/88/35/1033868835.db2.gz IBSZKXCTXDKWLL-UHFFFAOYSA-N -1 1 313.378 3.693 20 0 DHADMM COc1ccc(C[NH2+][C@H](C)c2cccc(O)c2F)c(C)c1OC ZINC000927122883 1033919879 /nfs/dbraw/zinc/91/98/79/1033919879.db2.gz LMOUOFNSPXZDDS-GFCCVEGCSA-N -1 1 319.376 3.708 20 0 DHADMM O=C(N[C@H](c1ccccn1)C1CCC1)c1c([O-])cccc1Cl ZINC000862744600 1033921895 /nfs/dbraw/zinc/92/18/95/1033921895.db2.gz GCOCOTPRUFSBGD-INIZCTEOSA-N -1 1 316.788 3.712 20 0 DHADMM O=c1oc2cc([O-])ccc2cc1Nc1cncc2ccccc21 ZINC001174100778 1034111751 /nfs/dbraw/zinc/11/17/51/1034111751.db2.gz NHZFSOXPTZOOGT-UHFFFAOYSA-N -1 1 304.305 3.790 20 0 DHADMM CC(C)(C)NC(=O)c1ccc(Nc2ccc(F)c(F)c2[O-])cc1 ZINC001174128150 1034151975 /nfs/dbraw/zinc/15/19/75/1034151975.db2.gz MWQUIBGTEYWJHR-UHFFFAOYSA-N -1 1 320.339 3.942 20 0 DHADMM CCCOc1ccc(NC(=O)c2ccc([O-])cc2F)c(C)c1 ZINC000554460618 1034156801 /nfs/dbraw/zinc/15/68/01/1034156801.db2.gz NWOFHQYIFKLCBI-UHFFFAOYSA-N -1 1 303.333 3.881 20 0 DHADMM O=c1ccn(-c2ccc(Nc3cccc4cnccc43)cc2)[n-]1 ZINC001174138456 1034164229 /nfs/dbraw/zinc/16/42/29/1034164229.db2.gz TZVKDZYYZXUXEH-UHFFFAOYSA-N -1 1 302.337 3.870 20 0 DHADMM CCc1cccc2cc(CN[C@H](CC=C(C)C)C(=O)[O-])oc21 ZINC000864528679 1034379704 /nfs/dbraw/zinc/37/97/04/1034379704.db2.gz RSFAAYKIMICDLQ-MRXNPFEDSA-N -1 1 301.386 3.894 20 0 DHADMM C[C@@H]1CN(C(=O)Cc2ccc([O-])c(Cl)c2)Cc2ccccc21 ZINC000864542090 1034383627 /nfs/dbraw/zinc/38/36/27/1034383627.db2.gz BVLPDEOTYXTWFW-GFCCVEGCSA-N -1 1 315.800 3.734 20 0 DHADMM [O-]c1ccc(Cl)c(NC2=CCC3(CC2)OCCO3)c1Cl ZINC001174643396 1034524215 /nfs/dbraw/zinc/52/42/15/1034524215.db2.gz JAGQABCWXYPNBV-UHFFFAOYSA-N -1 1 316.184 3.922 20 0 DHADMM O=c1oc2cc([O-])ccc2cc1Nc1cccc2cccnc21 ZINC001174858392 1034649953 /nfs/dbraw/zinc/64/99/53/1034649953.db2.gz FLGBOGMZRQMPCH-UHFFFAOYSA-N -1 1 304.305 3.790 20 0 DHADMM CCOc1ccc(Nc2ccnc(Cl)c2[O-])c(F)c1F ZINC001175152491 1034815483 /nfs/dbraw/zinc/81/54/83/1034815483.db2.gz NODVCSUOOPQRHN-UHFFFAOYSA-N -1 1 300.692 3.861 20 0 DHADMM COc1ccc(F)c(Nc2cc3ccc([O-])cc3oc2=O)c1F ZINC001175121487 1034822807 /nfs/dbraw/zinc/82/28/07/1034822807.db2.gz VXFZZJXOGPTOIJ-UHFFFAOYSA-N -1 1 319.263 3.529 20 0 DHADMM CCOc1cc(F)ccc1Nc1cc2ccc([O-])cc2oc1=O ZINC001175286125 1034898927 /nfs/dbraw/zinc/89/89/27/1034898927.db2.gz AVKLEJIBYLBMJY-UHFFFAOYSA-N -1 1 315.300 3.780 20 0 DHADMM Oc1ccc(F)c([N-]c2snnc2-c2ccccc2)c1F ZINC001175262847 1034912603 /nfs/dbraw/zinc/91/26/03/1034912603.db2.gz OJALJIZFQWSHMN-UHFFFAOYSA-N -1 1 305.309 3.933 20 0 DHADMM Cc1cc(=O)c2ccc(Nc3c(F)ccc([O-])c3F)cc2o1 ZINC001175269628 1034916169 /nfs/dbraw/zinc/91/61/69/1034916169.db2.gz IMPCYXVILWESNK-UHFFFAOYSA-N -1 1 303.264 3.829 20 0 DHADMM COc1cc(C(C)=O)c(Nc2c(F)ccc([O-])c2F)cc1F ZINC001175271151 1034917560 /nfs/dbraw/zinc/91/75/60/1034917560.db2.gz UCSTWZONBSEIQY-UHFFFAOYSA-N -1 1 311.259 3.764 20 0 DHADMM Cc1ccc(CC(C)(C)NC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000668030753 1035093393 /nfs/dbraw/zinc/09/33/93/1035093393.db2.gz VVWLNWXEZKWSOK-UHFFFAOYSA-N -1 1 301.361 3.591 20 0 DHADMM Cc1cnc(C(=O)N2[C@H](C)C[C@H](c3ccccc3)C2(C)C)c([O-])c1 ZINC001175763738 1035113332 /nfs/dbraw/zinc/11/33/32/1035113332.db2.gz HQNVARNMEZBQFN-GDBMZVCRSA-N -1 1 324.424 3.892 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)CC(C)(C)C)c1 ZINC000482577734 1035137945 /nfs/dbraw/zinc/13/79/45/1035137945.db2.gz OWGBSBQKGKPCJE-UHFFFAOYSA-N -1 1 300.196 3.838 20 0 DHADMM CCSc1ccc(CNC(=O)c2cc(F)ccc2[O-])cc1 ZINC001176020577 1035186854 /nfs/dbraw/zinc/18/68/54/1035186854.db2.gz KNHBDOBPTKIHGV-UHFFFAOYSA-N -1 1 305.374 3.573 20 0 DHADMM C[C@H](OC(=O)c1ccc([O-])cc1F)c1ncc(C(C)(C)C)o1 ZINC000773550900 1035212195 /nfs/dbraw/zinc/21/21/95/1035212195.db2.gz BYJOHSRZUCMUSU-VIFPVBQESA-N -1 1 307.321 3.735 20 0 DHADMM O=C1Cc2cc(Nc3c(Cl)ccc([O-])c3Cl)ccc2N1 ZINC001176428072 1035262039 /nfs/dbraw/zinc/26/20/39/1035262039.db2.gz HUCPEPALKHAXNX-UHFFFAOYSA-N -1 1 309.152 3.937 20 0 DHADMM Cc1cc(COC(=O)c2ccc([O-])cc2F)c2ccccc2n1 ZINC000773577125 1035263367 /nfs/dbraw/zinc/26/33/67/1035263367.db2.gz PVAFTCNZDYJZKW-UHFFFAOYSA-N -1 1 311.312 3.745 20 0 DHADMM Cc1cc(C(=O)Nc2cc(C)cc(Br)c2[O-])c(C)[nH]1 ZINC000679244067 1035286960 /nfs/dbraw/zinc/28/69/60/1035286960.db2.gz RXMIXCFDARUFAM-UHFFFAOYSA-N -1 1 323.190 3.660 20 0 DHADMM Nc1cc(Cl)nc(Cl)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176663659 1035308694 /nfs/dbraw/zinc/30/86/94/1035308694.db2.gz GYFIUPRBDGKQIR-UHFFFAOYSA-N -1 1 324.089 3.837 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ccccc2-n2cccn2)c1F ZINC001176670114 1035311034 /nfs/dbraw/zinc/31/10/34/1035311034.db2.gz RUDVSVCZZGAZLF-UHFFFAOYSA-N -1 1 305.259 3.739 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ccc(C3OCCO3)cc2)c1F ZINC001176673664 1035311288 /nfs/dbraw/zinc/31/12/88/1035311288.db2.gz VGTIIOPLLRGCSG-UHFFFAOYSA-N -1 1 311.259 3.599 20 0 DHADMM CC1(C)C2CCC1(C(=O)NCc1ccc([O-])c(Cl)c1)CC2 ZINC001176994449 1035343348 /nfs/dbraw/zinc/34/33/48/1035343348.db2.gz SIKRLXORUVPNTJ-UHFFFAOYSA-N -1 1 307.821 3.878 20 0 DHADMM O=C([O-])[C@@H]1CC=C[C@@H](NCc2cc(Cl)sc2Cl)C1 ZINC000904036071 1035347995 /nfs/dbraw/zinc/34/79/95/1035347995.db2.gz WPLYBFWLJGWYNS-VXNVDRBHSA-N -1 1 306.214 3.564 20 0 DHADMM Cc1cccc([C@@H](CC(=O)[O-])NCc2nccc3c2CCCC3)c1 ZINC000904045426 1035351502 /nfs/dbraw/zinc/35/15/02/1035351502.db2.gz JGHVFVNGYRNOPZ-GOSISDBHSA-N -1 1 324.424 3.574 20 0 DHADMM C[C@@H](CN(C)C(=O)c1ncc2ccccc2c1[O-])C(C)(C)C ZINC001177239205 1035357951 /nfs/dbraw/zinc/35/79/51/1035357951.db2.gz AOEVMCWRIHYPRB-LBPRGKRZSA-N -1 1 300.402 3.695 20 0 DHADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc2ccc(O)cc21 ZINC000484710206 1035392877 /nfs/dbraw/zinc/39/28/77/1035392877.db2.gz AEDBIWLTDDKJPM-UHFFFAOYSA-N -1 1 313.378 3.655 20 0 DHADMM CSc1ccc([O-])c(-c2nc(COc3ccccc3)no2)c1 ZINC000904303070 1035397509 /nfs/dbraw/zinc/39/75/09/1035397509.db2.gz PJIRXXYKJGEFHW-UHFFFAOYSA-N -1 1 314.366 3.743 20 0 DHADMM CN(C)c1ccc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)cc1 ZINC000773754283 1035438137 /nfs/dbraw/zinc/43/81/37/1035438137.db2.gz RTWKOAZRNBDTRR-UHFFFAOYSA-N -1 1 324.302 3.729 20 0 DHADMM CCC1(C(=O)NCCc2c(F)cc([O-])cc2F)CCCCC1 ZINC001178784747 1035447512 /nfs/dbraw/zinc/44/75/12/1035447512.db2.gz DQYHKTOPNFCZLE-UHFFFAOYSA-N -1 1 311.372 3.690 20 0 DHADMM Cc1cnnn1-c1ccc(NCc2cccc([O-])c2Cl)cc1 ZINC001179021024 1035458741 /nfs/dbraw/zinc/45/87/41/1035458741.db2.gz PXOFZYSYLDLEMK-UHFFFAOYSA-N -1 1 314.776 3.547 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1cc(O)ccc1Cl ZINC001179660638 1035488208 /nfs/dbraw/zinc/48/82/08/1035488208.db2.gz ZYBZCCXJNPERMC-UHFFFAOYSA-N -1 1 316.115 3.796 20 0 DHADMM Cc1cccnc1/C=C\C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001179660450 1035488306 /nfs/dbraw/zinc/48/83/06/1035488306.db2.gz SGCOKCDVSAWABV-PLNGDYQASA-N -1 1 306.724 3.540 20 0 DHADMM O=C(N[C@H]1CCCc2ccccc2C1)c1ccc(Cl)cc1[O-] ZINC001179688264 1035489165 /nfs/dbraw/zinc/48/91/65/1035489165.db2.gz PCUWXDVNXPYTDZ-HNNXBMFYSA-N -1 1 315.800 3.723 20 0 DHADMM O=C(N[C@@H]1Cc2ccc(Cl)cc2C1)c1ccc(Cl)cc1[O-] ZINC001180252692 1035630333 /nfs/dbraw/zinc/63/03/33/1035630333.db2.gz NYXUPQQQUSRBFG-CYBMUJFWSA-N -1 1 322.191 3.596 20 0 DHADMM Cc1occc1CN[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000905753138 1035643874 /nfs/dbraw/zinc/64/38/74/1035643874.db2.gz XZWCFZHORPMPHK-ZDUSSCGKSA-N -1 1 313.275 3.522 20 0 DHADMM C[C@H]1Cc2ccccc2N1Cc1ncc(Br)cc1[O-] ZINC001180480257 1035683024 /nfs/dbraw/zinc/68/30/24/1035683024.db2.gz YFBIXASPCLWRLW-JTQLQIEISA-N -1 1 319.202 3.501 20 0 DHADMM COc1cccc(F)c1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000192272251 1035787087 /nfs/dbraw/zinc/78/70/87/1035787087.db2.gz QLOKCHPWVYUEDL-UHFFFAOYSA-N -1 1 310.712 3.837 20 0 DHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1csc(Cl)c1 ZINC001194609637 1035962247 /nfs/dbraw/zinc/96/22/47/1035962247.db2.gz BNIIMSBFDCFJEC-UHFFFAOYSA-N -1 1 301.820 3.819 20 0 DHADMM Cc1noc2ccc([N-]S(=O)(=O)c3c(C)cccc3C)cc12 ZINC001194638805 1035976269 /nfs/dbraw/zinc/97/62/69/1035976269.db2.gz NDKHCPXNQZKJOJ-UHFFFAOYSA-N -1 1 316.382 3.554 20 0 DHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc2scnc2c1 ZINC001194640028 1035976368 /nfs/dbraw/zinc/97/63/68/1035976368.db2.gz ZTANLFVGVAZZRP-UHFFFAOYSA-N -1 1 318.423 3.714 20 0 DHADMM CCOc1cc(C(=O)Nc2cccc(F)c2)cc(Cl)c1[O-] ZINC000193080551 1036101759 /nfs/dbraw/zinc/10/17/59/1036101759.db2.gz HGVQAWWXEOXQDA-UHFFFAOYSA-N -1 1 309.724 3.836 20 0 DHADMM CC[C@H](C)OC(=O)Nc1cc(OC)cc(Br)c1[O-] ZINC001195114588 1036140576 /nfs/dbraw/zinc/14/05/76/1036140576.db2.gz FYUQZPZIQASLQE-ZETCQYMHSA-N -1 1 318.167 3.510 20 0 DHADMM COc1cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)ccc1C ZINC001195156824 1036165499 /nfs/dbraw/zinc/16/54/99/1036165499.db2.gz TWVXZIBTAWESRB-UHFFFAOYSA-N -1 1 319.426 3.928 20 0 DHADMM Cc1ccc([O-])c(C(=O)Nc2ccc3sc(Cl)nc3c2)n1 ZINC001195326808 1036205313 /nfs/dbraw/zinc/20/53/13/1036205313.db2.gz VPTOHIGSYYQTDL-UHFFFAOYSA-N -1 1 319.773 3.611 20 0 DHADMM CCOc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc(Cl)c1[O-] ZINC000193149121 1036213710 /nfs/dbraw/zinc/21/37/10/1036213710.db2.gz SLUYOTMHJKMQEG-QWRGUYRKSA-N -1 1 311.809 3.562 20 0 DHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])[C@H]1C[C@@H]1C(F)(F)F ZINC001182322222 1036222016 /nfs/dbraw/zinc/22/20/16/1036222016.db2.gz OFMKXMRALALIIR-FSPLSTOPSA-N -1 1 313.197 3.548 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1cc(Cl)c(F)c(Cl)c1 ZINC001195486460 1036268887 /nfs/dbraw/zinc/26/88/87/1036268887.db2.gz FLJBZJXWLPLLTM-UHFFFAOYSA-N -1 1 311.165 3.575 20 0 DHADMM COc1cccc(NC(=S)Nc2cccc([O-])c2Cl)c1 ZINC001196054462 1036421527 /nfs/dbraw/zinc/42/15/27/1036421527.db2.gz PHXIPQBEDIMBIA-UHFFFAOYSA-N -1 1 308.790 3.863 20 0 DHADMM C[C@@H]1CCC[C@]1(C)C(=O)Nc1cccc([O-])c1Br ZINC000908707895 1036485424 /nfs/dbraw/zinc/48/54/24/1036485424.db2.gz ODKVTDLXFAMAMP-OTYXRUKQSA-N -1 1 312.207 3.920 20 0 DHADMM C[C@@H]1CCC[C@@H]1CC(=O)Nc1cccc([O-])c1Br ZINC000908711166 1036489090 /nfs/dbraw/zinc/48/90/90/1036489090.db2.gz YTJYRORQZZKLGP-NXEZZACHSA-N -1 1 312.207 3.920 20 0 DHADMM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1cccc([O-])c1Br ZINC000908711199 1036490442 /nfs/dbraw/zinc/49/04/42/1036490442.db2.gz ZWDKQKJTYVEVGB-LKFCYVNXSA-N -1 1 312.207 3.775 20 0 DHADMM C[C@@H](CC(=O)[N-]OCC(F)F)c1cccc(C(F)(F)F)c1 ZINC000759350872 1036533645 /nfs/dbraw/zinc/53/36/45/1036533645.db2.gz ILFTTYFHIIICCC-QMMMGPOBSA-N -1 1 311.250 3.512 20 0 DHADMM O=C([N-]c1cnoc1)c1cnc(-c2ccc(Cl)cc2)s1 ZINC001196422239 1036534045 /nfs/dbraw/zinc/53/40/45/1036534045.db2.gz RKUDBNCMBANZRW-UHFFFAOYSA-N -1 1 305.746 3.704 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC001183217344 1036543088 /nfs/dbraw/zinc/54/30/88/1036543088.db2.gz AEFIEHJPVRTHDT-SDDRHHMPSA-N -1 1 308.809 3.986 20 0 DHADMM [O-]c1cccc(CNc2cccc(Cn3cccn3)c2)c1Cl ZINC000328246414 1036580587 /nfs/dbraw/zinc/58/05/87/1036580587.db2.gz RUUDQNHKHZZBNL-UHFFFAOYSA-N -1 1 313.788 3.903 20 0 DHADMM C[C@H](NC(=O)c1c([O-])cnc2ccc(Cl)cc21)C1CCCC1 ZINC001183684604 1036647537 /nfs/dbraw/zinc/64/75/37/1036647537.db2.gz UTHCCDFLMGYAED-JTQLQIEISA-N -1 1 318.804 3.902 20 0 DHADMM Cc1cc(C)c(CC(=O)NCc2ccc([O-])c(Cl)c2)s1 ZINC000913801152 1036728219 /nfs/dbraw/zinc/72/82/19/1036728219.db2.gz KJBVIDFEMSWEED-UHFFFAOYSA-N -1 1 309.818 3.583 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)C1CCC(C(F)(F)F)CC1 ZINC000909986683 1036732413 /nfs/dbraw/zinc/73/24/13/1036732413.db2.gz RXMAUCAFZMDKLZ-UHFFFAOYSA-N -1 1 323.261 3.978 20 0 DHADMM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909985806 1036732625 /nfs/dbraw/zinc/73/26/25/1036732625.db2.gz PUBGJNPBLBPFSN-ZUZCIYMTSA-N -1 1 313.344 3.594 20 0 DHADMM CCC[C@@H](C(=O)Nc1cc([O-])c(F)cc1F)c1ccccn1 ZINC000909986854 1036733361 /nfs/dbraw/zinc/73/33/61/1036733361.db2.gz VDXXSFXANHNORE-SNVBAGLBSA-N -1 1 306.312 3.588 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)[C@H]1C[C@@]12CCc1ccccc12 ZINC000909982049 1036735364 /nfs/dbraw/zinc/73/53/64/1036735364.db2.gz CUHOMIYZIQCOIM-KZULUSFZSA-N -1 1 315.319 3.513 20 0 DHADMM O=C(CCCc1ccc2ccccc2c1)[N-]OCC(F)(F)F ZINC000775780910 1036840714 /nfs/dbraw/zinc/84/07/14/1036840714.db2.gz SWONJNXBLHQWJV-UHFFFAOYSA-N -1 1 311.303 3.773 20 0 DHADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc2[nH]c(C)cc2c1 ZINC000488280821 1036932839 /nfs/dbraw/zinc/93/28/39/1036932839.db2.gz LPBXUAAPDOHFIH-UHFFFAOYSA-N -1 1 314.410 3.840 20 0 DHADMM CC[C@@H](C)c1ccc([N-]S(=O)(=O)c2ccc(C)nc2)cc1 ZINC001198265737 1036979994 /nfs/dbraw/zinc/97/99/94/1036979994.db2.gz JHLPBSYABWAQKE-GFCCVEGCSA-N -1 1 304.415 3.704 20 0 DHADMM Cc1cc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2[nH]1 ZINC000001502422 1037009049 /nfs/dbraw/zinc/00/90/49/1037009049.db2.gz WHGHPQNWLBWZMI-UHFFFAOYSA-N -1 1 320.801 3.931 20 0 DHADMM C=CS(=O)(=O)[N-]c1cccc2ccc(-c3ccccc3)nc21 ZINC001198620954 1037098625 /nfs/dbraw/zinc/09/86/25/1037098625.db2.gz QXBCXCXUFKNAEV-UHFFFAOYSA-N -1 1 310.378 3.787 20 0 DHADMM O=C(Nc1ccc(F)c(F)c1F)Nc1c([O-])cccc1F ZINC001185330025 1037114416 /nfs/dbraw/zinc/11/44/16/1037114416.db2.gz PJPHNXCEIAXLIU-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM CN(C)c1ccc(NC(=S)Nc2ccc([O-])c(F)c2F)cc1 ZINC001198756148 1037123334 /nfs/dbraw/zinc/12/33/34/1037123334.db2.gz GOKWVODQUXWBGY-UHFFFAOYSA-N -1 1 323.368 3.545 20 0 DHADMM Brc1ccc(-c2cc([N-]c3cnoc3)on2)cc1 ZINC001203231823 1037124068 /nfs/dbraw/zinc/12/40/68/1037124068.db2.gz MOFAJFKKIOAXPY-UHFFFAOYSA-N -1 1 306.119 3.836 20 0 DHADMM O=S(=O)([N-]c1ccc2ncccc2c1)c1ccc2occc2c1 ZINC001198816904 1037137259 /nfs/dbraw/zinc/13/72/59/1037137259.db2.gz RLXFJHGJPZEIJJ-UHFFFAOYSA-N -1 1 324.361 3.782 20 0 DHADMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3occc3c2)c1 ZINC001198816033 1037138889 /nfs/dbraw/zinc/13/88/89/1037138889.db2.gz BYPHIGYQFQNAIN-UHFFFAOYSA-N -1 1 301.367 3.850 20 0 DHADMM O=S(=O)([N-]c1cccnc1Cl)c1cc2ccccc2s1 ZINC001185414536 1037145171 /nfs/dbraw/zinc/14/51/71/1037145171.db2.gz JJICMDXCWLIOLC-UHFFFAOYSA-N -1 1 324.814 3.751 20 0 DHADMM COc1cccc([N-]S(=O)(=O)c2ccc3occc3c2)c1C ZINC001198863308 1037149649 /nfs/dbraw/zinc/14/96/49/1037149649.db2.gz YFMOQGOTSRLSKK-UHFFFAOYSA-N -1 1 317.366 3.551 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2C)ccc1Cl ZINC001185485162 1037157340 /nfs/dbraw/zinc/15/73/40/1037157340.db2.gz NUDCRXIZGXGUDS-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM O=C([N-]c1csc2cnccc12)c1cnoc1C(F)(F)F ZINC001199048498 1037187029 /nfs/dbraw/zinc/18/70/29/1037187029.db2.gz DRGBXVNHSXOBHK-UHFFFAOYSA-N -1 1 313.260 3.555 20 0 DHADMM Cc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC001185824790 1037250782 /nfs/dbraw/zinc/25/07/82/1037250782.db2.gz OTONUGMGTULEBY-UHFFFAOYSA-N -1 1 315.316 3.522 20 0 DHADMM O=S(=O)([N-]c1ccc2ccccc2c1)c1ccc2n[nH]cc2c1 ZINC001185990738 1037276234 /nfs/dbraw/zinc/27/62/34/1037276234.db2.gz SZZZNDCXZQWDRD-UHFFFAOYSA-N -1 1 323.377 3.517 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)Nc1c(F)cc(F)cc1F ZINC001186055564 1037307878 /nfs/dbraw/zinc/30/78/78/1037307878.db2.gz DWUVJMOSPDVLNJ-UHFFFAOYSA-N -1 1 318.201 3.732 20 0 DHADMM CCC1(NC(=O)c2ccc([O-])c(F)c2)CCC(F)(F)CC1 ZINC001186233126 1037337416 /nfs/dbraw/zinc/33/74/16/1037337416.db2.gz DFQWDHDBKCLZJG-UHFFFAOYSA-N -1 1 301.308 3.619 20 0 DHADMM Cc1cc(OC(F)F)ccc1NC(=O)c1ccc([O-])c(F)c1 ZINC001186226435 1037338677 /nfs/dbraw/zinc/33/86/77/1037338677.db2.gz PHIIKQXFHNANBB-UHFFFAOYSA-N -1 1 311.259 3.693 20 0 DHADMM Cc1nc2cc(Cl)c(NC(=O)c3ccc([O-])c(F)c3)cc2o1 ZINC001186226371 1037338749 /nfs/dbraw/zinc/33/87/49/1037338749.db2.gz NIYYYGDKAPAUGH-UHFFFAOYSA-N -1 1 320.707 3.887 20 0 DHADMM CC(C)[C@H]1CN(Cc2cccc(C(=O)[O-])c2Cl)CCS1 ZINC000570403090 1037340544 /nfs/dbraw/zinc/34/05/44/1037340544.db2.gz IZECTFPEPDOQPI-CYBMUJFWSA-N -1 1 313.850 3.612 20 0 DHADMM CN(C(=O)c1ccc([O-])c(F)c1)C(C)(C)Cc1ccccc1 ZINC001186219703 1037346648 /nfs/dbraw/zinc/34/66/48/1037346648.db2.gz UIOWGUVUYUIBLL-UHFFFAOYSA-N -1 1 301.361 3.625 20 0 DHADMM O=C(NC1(Cc2ccccc2)CC1)c1c([O-])cccc1Cl ZINC000775005326 1037364558 /nfs/dbraw/zinc/36/45/58/1037364558.db2.gz SZKCJQAOMQGKHP-UHFFFAOYSA-N -1 1 301.773 3.551 20 0 DHADMM [O-]c1cc(F)c(NC(=S)NC2CCCCCC2)c(F)c1 ZINC001199970938 1037390285 /nfs/dbraw/zinc/39/02/85/1037390285.db2.gz BRTJXAUYKBHZRV-UHFFFAOYSA-N -1 1 300.374 3.680 20 0 DHADMM Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000763196955 1037440259 /nfs/dbraw/zinc/44/02/59/1037440259.db2.gz NOYAIEWDLNFTDH-IUCAKERBSA-N -1 1 308.790 3.553 20 0 DHADMM CCC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1F ZINC001186565463 1037441820 /nfs/dbraw/zinc/44/18/20/1037441820.db2.gz FDWMPZRRKRTXFQ-YPMHNXCESA-N -1 1 317.401 3.602 20 0 DHADMM C[C@H](C(=O)[N-]OCc1cccnc1)c1ccc2ccccc2c1 ZINC000152685602 1037513428 /nfs/dbraw/zinc/51/34/28/1037513428.db2.gz JOWWAVDUDMYVBD-AWEZNQCLSA-N -1 1 306.365 3.586 20 0 DHADMM Nc1ccc(Nc2cc(Br)cc(Cl)c2[O-])cn1 ZINC001201299580 1037596309 /nfs/dbraw/zinc/59/63/09/1037596309.db2.gz GOVBNIQXNOHAMH-UHFFFAOYSA-N -1 1 314.570 3.529 20 0 DHADMM CC[C@H](O)[C@@H](C)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000912858412 1037629963 /nfs/dbraw/zinc/62/99/63/1037629963.db2.gz ODXISCRVGIZJMJ-OTYXRUKQSA-N -1 1 307.777 3.544 20 0 DHADMM O=C(Nc1cc(F)cc(F)c1)Nc1ccc([O-])c(F)c1F ZINC001187571809 1037666378 /nfs/dbraw/zinc/66/63/78/1037666378.db2.gz TUCVOTFTKXYSSV-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM CCCNC(=O)c1cccc(NCc2cccc([O-])c2Cl)c1 ZINC000328285865 1037763270 /nfs/dbraw/zinc/76/32/70/1037763270.db2.gz ZQHZXZHALMVMCG-UHFFFAOYSA-N -1 1 318.804 3.798 20 0 DHADMM CC(C)(CC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)CC(F)F ZINC000913269145 1037788833 /nfs/dbraw/zinc/78/88/33/1037788833.db2.gz VQCNAZUKIQZEKC-UHFFFAOYSA-N -1 1 323.343 3.588 20 0 DHADMM O=S(=O)([N-]c1ccccc1Oc1ccc(F)cc1)C1CCC1 ZINC001188097536 1037812047 /nfs/dbraw/zinc/81/20/47/1037812047.db2.gz NQNCLUFEEVGMNQ-UHFFFAOYSA-N -1 1 321.373 3.912 20 0 DHADMM O=S(=O)(Cc1ccccc1)[N-]c1ccc(-c2ccccc2)cn1 ZINC000062061151 1037837426 /nfs/dbraw/zinc/83/74/26/1037837426.db2.gz JAHYEBRQPFXXHQ-UHFFFAOYSA-N -1 1 324.405 3.691 20 0 DHADMM COc1cscc1C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001188311100 1037864971 /nfs/dbraw/zinc/86/49/71/1037864971.db2.gz DRUQARSBHZTLLI-UHFFFAOYSA-N -1 1 317.288 3.733 20 0 DHADMM Cc1noc(-c2ccccc2)c1NC(=O)c1ccc([O-])cc1F ZINC000123872157 1037869416 /nfs/dbraw/zinc/86/94/16/1037869416.db2.gz GEVOTMTYVPBDHT-UHFFFAOYSA-N -1 1 312.300 3.747 20 0 DHADMM COc1ccc(NC(=O)Nc2ccc(Cl)cc2[O-])c(OC)c1 ZINC001188541464 1037924299 /nfs/dbraw/zinc/92/42/99/1037924299.db2.gz FZRJDWHITFDACG-UHFFFAOYSA-N -1 1 322.748 3.707 20 0 DHADMM O=C(Nc1cc([O-])c(Cl)cc1F)N[C@@H]1C[C@H]1c1ccccc1 ZINC001201934248 1037931377 /nfs/dbraw/zinc/93/13/77/1037931377.db2.gz UHEIGXOCBJLCKS-GXFFZTMASA-N -1 1 320.751 3.862 20 0 DHADMM CCc1ccc(NC(=O)c2ccc([O-])c(C(F)(F)F)c2)cn1 ZINC001188572894 1037933831 /nfs/dbraw/zinc/93/38/31/1037933831.db2.gz WQSUKACNVMTYPR-UHFFFAOYSA-N -1 1 310.275 3.621 20 0 DHADMM Cc1cccc(F)c1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000494349508 1038066898 /nfs/dbraw/zinc/06/68/98/1038066898.db2.gz NEBOHLGWVIHJGQ-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM Cc1cccc2c1CN(C(=O)c1c([O-])cccc1Cl)CC2 ZINC000760670995 1038178453 /nfs/dbraw/zinc/17/84/53/1038178453.db2.gz XOFGZZHAYZVPHZ-UHFFFAOYSA-N -1 1 301.773 3.553 20 0 DHADMM COc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1F ZINC000571971421 1038284044 /nfs/dbraw/zinc/28/40/44/1038284044.db2.gz DDFNYPJUSFGHBX-UHFFFAOYSA-N -1 1 321.373 3.513 20 0 DHADMM CC(C)(C)OCCCCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000572081245 1038325289 /nfs/dbraw/zinc/32/52/89/1038325289.db2.gz SGIIFXRSKCOKPU-UHFFFAOYSA-N -1 1 306.378 3.807 20 0 DHADMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1 ZINC001190499543 1038328156 /nfs/dbraw/zinc/32/81/56/1038328156.db2.gz CEFYQIKWSGJWBY-UHFFFAOYSA-N -1 1 315.394 3.567 20 0 DHADMM C[C@@H](Cc1ccc(Cl)cc1)N(C)Cc1nc(C(=O)[O-])cs1 ZINC000572250230 1038348787 /nfs/dbraw/zinc/34/87/87/1038348787.db2.gz KNNPRIOOKQLKSD-JTQLQIEISA-N -1 1 324.833 3.558 20 0 DHADMM O=S(=O)([N-]c1ccc2oc3ccccc3c2c1)c1ccncc1 ZINC001190890222 1038403263 /nfs/dbraw/zinc/40/32/63/1038403263.db2.gz YSCGGDNFEPEIMJ-UHFFFAOYSA-N -1 1 324.361 3.782 20 0 DHADMM CCCCc1ccc(S(=O)(=O)[N-]c2ccc(C)nc2C)cc1 ZINC001191224853 1038471911 /nfs/dbraw/zinc/47/19/11/1038471911.db2.gz WINGEHVLEDDQIX-UHFFFAOYSA-N -1 1 318.442 3.842 20 0 DHADMM O=S(=O)([N-]C[C@@H]1CCC[C@@H]1C1CC1)c1cc2ccccc2o1 ZINC001212158243 1038473269 /nfs/dbraw/zinc/47/32/69/1038473269.db2.gz NTOKUHXNMIYUNZ-LSDHHAIUSA-N -1 1 319.426 3.537 20 0 DHADMM CC(C)(C)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC001191240027 1038473667 /nfs/dbraw/zinc/47/36/67/1038473667.db2.gz WREXTGZVJKAFQA-ZJUUUORDSA-N -1 1 321.389 3.710 20 0 DHADMM O=C(NCc1cccc(C(F)F)c1)c1cc([O-])cc(F)c1F ZINC001192670880 1038690289 /nfs/dbraw/zinc/69/02/89/1038690289.db2.gz OJLWWMXEPZRFST-UHFFFAOYSA-N -1 1 313.250 3.538 20 0 DHADMM C[C@@H]1C[C@H](c2ccccc2)CCN1Cc1nc(C(=O)[O-])cs1 ZINC000573734700 1039067625 /nfs/dbraw/zinc/06/76/25/1039067625.db2.gz YYGVSNIZSHLCKZ-TZMCWYRMSA-N -1 1 316.426 3.609 20 0 DHADMM COCc1ccc([C@H]2CCCN2Cc2csc(C(=O)[O-])c2)o1 ZINC000573927483 1039094499 /nfs/dbraw/zinc/09/44/99/1039094499.db2.gz NUMSRSWGJHPRMK-CYBMUJFWSA-N -1 1 321.398 3.523 20 0 DHADMM O=C([O-])c1ccc(CNCc2coc3ccccc23)nc1C1CC1 ZINC000669479779 1039485265 /nfs/dbraw/zinc/48/52/65/1039485265.db2.gz OQVPZIRZYJNCNI-UHFFFAOYSA-N -1 1 322.364 3.693 20 0 DHADMM O=C(Nc1c([O-])cccc1F)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000605436854 1039682501 /nfs/dbraw/zinc/68/25/01/1039682501.db2.gz MSKFITAMJPRGBA-DTWKUNHWSA-N -1 1 305.271 3.839 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2Cl)s1 ZINC000069572736 1039900092 /nfs/dbraw/zinc/90/00/92/1039900092.db2.gz IHNFRIRZYDFOIB-UHFFFAOYSA-N -1 1 301.820 3.819 20 0 DHADMM Cc1[n-][nH]c(=O)c1NC(=O)CCCc1ccc(CC(C)C)cc1 ZINC000615221642 1039948453 /nfs/dbraw/zinc/94/84/53/1039948453.db2.gz MVEYZUPHFFMYRG-UHFFFAOYSA-N -1 1 315.417 3.584 20 0 DHADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c1 ZINC000607331584 1040143431 /nfs/dbraw/zinc/14/34/31/1040143431.db2.gz QKTSWOCDOPZDBD-UHFFFAOYSA-N -1 1 315.316 3.522 20 0 DHADMM Cc1ccc(Oc2ccc(NC(=O)c3ccccc3[O-])cc2)nn1 ZINC000607560076 1040194472 /nfs/dbraw/zinc/19/44/72/1040194472.db2.gz YELQBYUXXLIZQD-UHFFFAOYSA-N -1 1 321.336 3.535 20 0 DHADMM CS[C@@H]1CC[C@H](NC(=O)c2cc3ccccc3cc2[O-])C1 ZINC000231678215 1040381872 /nfs/dbraw/zinc/38/18/72/1040381872.db2.gz RVIJKYQQOHIXDX-UONOGXRCSA-N -1 1 301.411 3.559 20 0 DHADMM Cc1ccc(Br)cc1C(=O)Nc1c([O-])cccc1F ZINC000608367067 1040474955 /nfs/dbraw/zinc/47/49/55/1040474955.db2.gz SNXBOOMIDAAFKN-UHFFFAOYSA-N -1 1 324.149 3.855 20 0 DHADMM CCc1cccc2c(CC(=O)Nc3c([O-])cccc3F)c[nH]c21 ZINC000608365351 1040471977 /nfs/dbraw/zinc/47/19/77/1040471977.db2.gz HCOOPAQNIGVBPE-UHFFFAOYSA-N -1 1 312.344 3.756 20 0 DHADMM CSc1ccc(O[C@@H](C)C(=O)Nc2c([O-])cccc2F)cc1 ZINC000608365749 1040472352 /nfs/dbraw/zinc/47/23/52/1040472352.db2.gz JCOYTCMQFHAEQX-JTQLQIEISA-N -1 1 321.373 3.659 20 0 DHADMM COc1ccccc1[C@H](C)CC(=O)Nc1c([O-])cccc1F ZINC000608366337 1040474431 /nfs/dbraw/zinc/47/44/31/1040474431.db2.gz SAQVVVZRWPBNAM-LLVKDONJSA-N -1 1 303.333 3.672 20 0 DHADMM CCCCOc1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000608367589 1040474528 /nfs/dbraw/zinc/47/45/28/1040474528.db2.gz YOXBXPMSAXAYLR-UHFFFAOYSA-N -1 1 303.333 3.963 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1ccc(Oc2ccccc2)nc1 ZINC000608366415 1040474694 /nfs/dbraw/zinc/47/46/94/1040474694.db2.gz JTFVRKHUMGQXAH-UHFFFAOYSA-N -1 1 324.311 3.971 20 0 DHADMM O=C(Cc1ccc(-n2cccc2)cc1)Nc1c([O-])cccc1F ZINC000608365931 1040475500 /nfs/dbraw/zinc/47/55/00/1040475500.db2.gz CVOHZKWQNVQKGW-UHFFFAOYSA-N -1 1 310.328 3.503 20 0 DHADMM CSCC1(Cc2noc(Cc3ccc([O-])c(Cl)c3)n2)CC1 ZINC000601384558 1040626879 /nfs/dbraw/zinc/62/68/79/1040626879.db2.gz CKXMDFKHTXERJH-UHFFFAOYSA-N -1 1 324.833 3.705 20 0 DHADMM CCCC(CCC)SCC(=O)[N-]C(=O)c1ccc(OC)cc1 ZINC000064048141 1040654454 /nfs/dbraw/zinc/65/44/54/1040654454.db2.gz PIMMMTBSHHBEAX-UHFFFAOYSA-N -1 1 323.458 3.654 20 0 DHADMM CCc1c(=O)n(-c2ccc(C(=O)OC)c(Cl)c2)[n-]c1C(C)C ZINC000601946992 1040832647 /nfs/dbraw/zinc/83/26/47/1040832647.db2.gz GYFFBZQFRBJUSL-LLVKDONJSA-N -1 1 322.792 3.511 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cccc([C@@H]2CCOC2)c1 ZINC000761388186 1040892637 /nfs/dbraw/zinc/89/26/37/1040892637.db2.gz VUFNQXKCVOGCCH-CYBMUJFWSA-N -1 1 317.772 3.802 20 0 DHADMM C[C@H]1CCN(C(=O)c2ccc([O-])cc2F)[C@@H](c2ccco2)C1 ZINC000181247549 334963609 /nfs/dbraw/zinc/96/36/09/334963609.db2.gz HWUQURPHGSARRA-XHDPSFHLSA-N -1 1 303.333 3.738 20 0 DHADMM CCCN(CC(F)F)C(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000273952148 535289529 /nfs/dbraw/zinc/28/95/29/535289529.db2.gz NAILABURMNWPFF-UHFFFAOYSA-N -1 1 321.751 3.562 20 0 DHADMM O=C([O-])C[C@@H](NCc1ccco1)c1cccc(C(F)(F)F)c1 ZINC000417575350 334995057 /nfs/dbraw/zinc/99/50/57/334995057.db2.gz FPXMYVONFOBRHQ-CYBMUJFWSA-N -1 1 313.275 3.604 20 0 DHADMM CCc1ccc(-c2ccc(CN[C@H](CC3CC3)C(=O)[O-])o2)cc1 ZINC000417632513 335020120 /nfs/dbraw/zinc/02/01/20/335020120.db2.gz YVWOMNNIRYAXAK-QGZVFWFLSA-N -1 1 313.397 3.852 20 0 DHADMM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(Cl)cc2[O-])s1 ZINC000106711974 194245782 /nfs/dbraw/zinc/24/57/82/194245782.db2.gz WOLVGVGTDDWXBT-SECBINFHSA-N -1 1 324.833 3.952 20 0 DHADMM O=C(CCC1CCCC1)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000289473337 131388650 /nfs/dbraw/zinc/38/86/50/131388650.db2.gz HMJHEHNAOZFALM-UHFFFAOYSA-N -1 1 316.373 3.751 20 0 DHADMM C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1c(F)ccc([O-])c1F ZINC000289572828 131397062 /nfs/dbraw/zinc/39/70/62/131397062.db2.gz JPOJVYVCPYGPJA-DGCLKSJQSA-N -1 1 317.335 3.689 20 0 DHADMM Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(F)cc1[O-] ZINC000340332409 131457185 /nfs/dbraw/zinc/45/71/85/131457185.db2.gz VFXXBQUFZDEHIL-UHFFFAOYSA-N -1 1 312.300 3.747 20 0 DHADMM COc1cc(C(=O)NC(C)(C)c2ccccc2)cc(Cl)c1[O-] ZINC000442937685 338439915 /nfs/dbraw/zinc/43/99/15/338439915.db2.gz DDVFSWFXGOCDNL-UHFFFAOYSA-N -1 1 319.788 3.719 20 0 DHADMM CCCCCCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000363369932 331628513 /nfs/dbraw/zinc/62/85/13/331628513.db2.gz WZOZJDIMCOVKEJ-UHFFFAOYSA-N -1 1 317.429 3.784 20 0 DHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1F ZINC000313227987 331918666 /nfs/dbraw/zinc/91/86/66/331918666.db2.gz GSVMCZJFIKECLZ-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM CC(C)c1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000426770670 331967062 /nfs/dbraw/zinc/96/70/62/331967062.db2.gz USYWCBYNNLHENC-QGZVFWFLSA-N -1 1 301.361 3.865 20 0 DHADMM CC(C)CN(C)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000518386129 332023684 /nfs/dbraw/zinc/02/36/84/332023684.db2.gz FCRSQALXCKDTBB-UHFFFAOYSA-N -1 1 304.415 3.596 20 0 DHADMM [O-]c1ccc(-c2noc(/C=C/c3ccc4c(c3)CCO4)n2)cc1F ZINC000445483170 332053365 /nfs/dbraw/zinc/05/33/65/332053365.db2.gz RMWQAIBEFUBVPF-QHHAFSJGSA-N -1 1 324.311 3.687 20 0 DHADMM O=C([O-])[C@@H](NCc1cc(Cl)ccc1F)c1ccc(F)cc1 ZINC000426776252 332123133 /nfs/dbraw/zinc/12/31/33/332123133.db2.gz XJVKQUOFYPCGAL-AWEZNQCLSA-N -1 1 311.715 3.534 20 0 DHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2cc(F)cc(Cl)c2)o1 ZINC000426783154 332152523 /nfs/dbraw/zinc/15/25/23/332152523.db2.gz IVLBFAFTVJQVEJ-ZDUSSCGKSA-N -1 1 311.740 3.686 20 0 DHADMM Cc1ccc(CN[C@H](CC(=O)[O-])c2ccc(C(C)C)cc2)nc1 ZINC000426811643 332156761 /nfs/dbraw/zinc/15/67/61/332156761.db2.gz UWOOWSXBMJBQQW-GOSISDBHSA-N -1 1 312.413 3.819 20 0 DHADMM O=C([O-])[C@H](NCc1cccc(Cl)c1F)c1cccc(F)c1 ZINC000426818906 332157582 /nfs/dbraw/zinc/15/75/82/332157582.db2.gz GRYJZIODXPMKPL-CQSZACIVSA-N -1 1 311.715 3.534 20 0 DHADMM CCC1(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000427273073 332192628 /nfs/dbraw/zinc/19/26/28/332192628.db2.gz HJAPGFPJPWXKSH-UHFFFAOYSA-N -1 1 314.259 3.523 20 0 DHADMM O=C(Nc1c([O-])cc(Br)cc1Cl)C1CCC1 ZINC000560503882 332347330 /nfs/dbraw/zinc/34/73/30/332347330.db2.gz IOXGNQBDGUBKKU-UHFFFAOYSA-N -1 1 304.571 3.547 20 0 DHADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(CC)s2)[n-]c1=O ZINC000570027451 332704190 /nfs/dbraw/zinc/70/41/90/332704190.db2.gz JTVSONZZOMLQQL-CSKARUKUSA-N -1 1 318.398 3.543 20 0 DHADMM Cn1cccc1[C@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000180351851 333027786 /nfs/dbraw/zinc/02/77/86/333027786.db2.gz KEQGSZQLTWGUAV-GOSISDBHSA-N -1 1 320.392 3.861 20 0 DHADMM CC(C)[C@H](CNC(=O)c1ccc([O-])cc1F)c1ccccc1 ZINC000181127817 333029172 /nfs/dbraw/zinc/02/91/72/333029172.db2.gz HYWVJYKDJFXSKD-INIZCTEOSA-N -1 1 301.361 3.701 20 0 DHADMM O=C(NCCC[C@H]1CCCCO1)c1ccc2ccccc2c1[O-] ZINC000183493963 333058452 /nfs/dbraw/zinc/05/84/52/333058452.db2.gz OQBDEJWXNPTSFR-OAHLLOKOSA-N -1 1 313.397 3.625 20 0 DHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1 ZINC000460419899 333083060 /nfs/dbraw/zinc/08/30/60/333083060.db2.gz LRLAVNVOFTXTIR-UHFFFAOYSA-N -1 1 311.353 3.889 20 0 DHADMM O=C(NCCOC1CCCCC1)c1ccc2ccccc2c1[O-] ZINC000390031040 333218118 /nfs/dbraw/zinc/21/81/18/333218118.db2.gz YCBZMXGTMJVHIW-UHFFFAOYSA-N -1 1 313.397 3.625 20 0 DHADMM CC[C@H](C)Oc1cccc(NC(=O)c2ccc(OC)cc2[O-])c1 ZINC000390380800 333274551 /nfs/dbraw/zinc/27/45/51/333274551.db2.gz BGJOFVVJOCNECI-LBPRGKRZSA-N -1 1 315.369 3.830 20 0 DHADMM O=C([O-])c1ccc2c(c1)C[N@H+](CCSc1ccccc1)CC2 ZINC000388457194 333310423 /nfs/dbraw/zinc/31/04/23/333310423.db2.gz JSDATAJJVDYZTM-UHFFFAOYSA-N -1 1 313.422 3.535 20 0 DHADMM C[C@H](CNC(=O)c1ccc2ccccc2c1[O-])c1nccs1 ZINC000184297324 333354958 /nfs/dbraw/zinc/35/49/58/333354958.db2.gz WZVIOGPUUGRMKN-LLVKDONJSA-N -1 1 312.394 3.535 20 0 DHADMM C[C@@]1(Cc2ccccc2)CCCN1C(=O)c1ccc([O-])cc1F ZINC000186228103 333372283 /nfs/dbraw/zinc/37/22/83/333372283.db2.gz YJKUTSBVZPQIEZ-IBGZPJMESA-N -1 1 313.372 3.769 20 0 DHADMM COc1ccccc1C[C@@H](C)CC(=O)Nc1ccc(F)cc1[O-] ZINC000531756342 333552124 /nfs/dbraw/zinc/55/21/24/333552124.db2.gz RCPYMYOQHBTPRD-GFCCVEGCSA-N -1 1 317.360 3.747 20 0 DHADMM CCc1ccc([C@@H]2CCCN(C(=O)c3ncc(C)cc3[O-])C2)cc1 ZINC000563468812 333610879 /nfs/dbraw/zinc/61/08/79/333610879.db2.gz LZFNPEKNRKYRPN-QGZVFWFLSA-N -1 1 324.424 3.678 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](C)CC(F)F)c1 ZINC000412241027 333741849 /nfs/dbraw/zinc/74/18/49/333741849.db2.gz KKPMYKSQTMFTNI-ZETCQYMHSA-N -1 1 322.149 3.693 20 0 DHADMM COc1ccc(C(=O)Nc2ccc(CCSC)cc2)c([O-])c1 ZINC000436851479 334008381 /nfs/dbraw/zinc/00/83/81/334008381.db2.gz LMYCXSRQZZFWFH-UHFFFAOYSA-N -1 1 317.410 3.559 20 0 DHADMM O=C(NCc1ccc2sccc2c1)c1ccc([O-])cc1F ZINC000436935380 334019313 /nfs/dbraw/zinc/01/93/13/334019313.db2.gz OYFXDSXJERNCAA-UHFFFAOYSA-N -1 1 301.342 3.676 20 0 DHADMM Cc1ccc2c(c1)CCN(C(=O)c1cc(Cl)ccc1[O-])C2 ZINC000436993700 334024326 /nfs/dbraw/zinc/02/43/26/334024326.db2.gz GBDSHJFKNUMHCI-UHFFFAOYSA-N -1 1 301.773 3.553 20 0 DHADMM CCC[C@H]1C[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)CCO1 ZINC000278276731 334094385 /nfs/dbraw/zinc/09/43/85/334094385.db2.gz VWBWAJCHQNTBRX-RYUDHWBXSA-N -1 1 306.337 3.644 20 0 DHADMM Cc1oc(C(C)C)nc1C(=O)[N-]c1nc(C(C)(C)C)ns1 ZINC000285332452 334147051 /nfs/dbraw/zinc/14/70/51/334147051.db2.gz NZNYVANWGQWDBO-UHFFFAOYSA-N -1 1 308.407 3.508 20 0 DHADMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000048653304 334291246 /nfs/dbraw/zinc/29/12/46/334291246.db2.gz WTHBAFBKAMISQX-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM CCc1ccc2nc(-c3ccc(OCCC(=O)[O-])cc3)[nH]c2c1 ZINC000534628690 334304882 /nfs/dbraw/zinc/30/48/82/334304882.db2.gz NLKKICUTBHWWAT-UHFFFAOYSA-N -1 1 310.353 3.646 20 0 DHADMM O=S(=O)([N-]c1ccc(Cl)cc1)c1cc(F)c(F)c(F)c1 ZINC000303837436 334336105 /nfs/dbraw/zinc/33/61/05/334336105.db2.gz CKXWSRLSJBQOJP-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM O=C(Cc1c[nH]c2cc(F)ccc12)Nc1ccc([O-])c(Cl)c1 ZINC000111668653 334352876 /nfs/dbraw/zinc/35/28/76/334352876.db2.gz WZFIBRULYOZQPB-UHFFFAOYSA-N -1 1 318.735 3.847 20 0 DHADMM O=C([O-])[C@H]1CC12CCN(Cc1ccc(Cl)cc1Cl)CC2 ZINC000049928420 334361087 /nfs/dbraw/zinc/36/10/87/334361087.db2.gz LBDXMWPOLMNGFE-GFCCVEGCSA-N -1 1 314.212 3.680 20 0 DHADMM Cc1nc(-c2ccc(NCC34CCC(CC3)C4)nc2)[n-]c(=O)c1C ZINC000535230599 334380874 /nfs/dbraw/zinc/38/08/74/334380874.db2.gz WGDMKLNHXYOUJL-UHFFFAOYSA-N -1 1 324.428 3.853 20 0 DHADMM Cc1cc2cc(NC(=O)c3c(F)ccc([O-])c3F)ccc2[nH]1 ZINC000341292777 334423901 /nfs/dbraw/zinc/42/39/01/334423901.db2.gz HMZFSNGSSGSGLD-UHFFFAOYSA-N -1 1 302.280 3.712 20 0 DHADMM C[C@H]1[C@@H](C)N(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@H]1C ZINC000416327523 334660731 /nfs/dbraw/zinc/66/07/31/334660731.db2.gz XXGRKCKSKHHJDE-OPRDCNLKSA-N -1 1 301.308 3.528 20 0 DHADMM O=C(Nc1cc(Cl)ccc1[O-])c1ccc2c(c1)CCCC2=O ZINC000343283307 334921699 /nfs/dbraw/zinc/92/16/99/334921699.db2.gz AWGVNHTUWSHMPA-UHFFFAOYSA-N -1 1 315.756 3.817 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2ccccc2C(C)C)c(C)n1 ZINC000345696650 335342535 /nfs/dbraw/zinc/34/25/35/335342535.db2.gz QFBWQKFUWBAHNF-UHFFFAOYSA-N -1 1 304.415 3.623 20 0 DHADMM O=c1[nH]c2ccccc2cc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445469661 338495691 /nfs/dbraw/zinc/49/56/91/338495691.db2.gz BTLOFHFYJVDEPX-UHFFFAOYSA-N -1 1 323.283 3.502 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2cccc3ccccc32)cc1O ZINC000033596861 335681032 /nfs/dbraw/zinc/68/10/32/335681032.db2.gz DFXBBYJBRUAXKC-UHFFFAOYSA-N -1 1 313.378 3.655 20 0 DHADMM Cc1ccc(OCc2nc(-c3ccc([O-])c(F)c3)no2)c(C)c1 ZINC000445473058 338495851 /nfs/dbraw/zinc/49/58/51/338495851.db2.gz MBOWMCOJOHIAAA-UHFFFAOYSA-N -1 1 314.316 3.777 20 0 DHADMM [O-]c1ccc(-c2noc([C@H](F)Cc3ccccc3)n2)cc1F ZINC000445483375 338496438 /nfs/dbraw/zinc/49/64/38/338496438.db2.gz VNRFGAKJCBARDY-CYBMUJFWSA-N -1 1 302.280 3.835 20 0 DHADMM C[C@@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])CCS1 ZINC000191937033 336007578 /nfs/dbraw/zinc/00/75/78/336007578.db2.gz OQEIYKCVJVPSQL-GFCCVEGCSA-N -1 1 301.411 3.513 20 0 DHADMM CC(C)Oc1ccc(N(C)C(=O)c2ccc([O-])cc2F)cc1 ZINC000192265275 336024262 /nfs/dbraw/zinc/02/42/62/336024262.db2.gz XXYQCUILFQKDNW-UHFFFAOYSA-N -1 1 303.333 3.595 20 0 DHADMM CC(C)c1ccoc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000351402839 336032569 /nfs/dbraw/zinc/03/25/69/336032569.db2.gz NVVPXFQBLSDZKJ-UHFFFAOYSA-N -1 1 311.341 3.751 20 0 DHADMM CC(C)(C)CCCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000351499836 336038637 /nfs/dbraw/zinc/03/86/37/336038637.db2.gz CUWXHQPBVIKGDG-UHFFFAOYSA-N -1 1 301.390 3.937 20 0 DHADMM CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000332336069 336168981 /nfs/dbraw/zinc/16/89/81/336168981.db2.gz QCHVPPPJDWXTRN-GXTWGEPZSA-N -1 1 321.808 3.759 20 0 DHADMM COc1cc(C(=O)N[C@@H]2CCC[C@H](C)CC2)cc(Cl)c1[O-] ZINC000332345719 336169488 /nfs/dbraw/zinc/16/94/88/336169488.db2.gz QMUYOJSKDGJEOA-CMPLNLGQSA-N -1 1 311.809 3.753 20 0 DHADMM CN(C(=O)c1ccc(Cl)cc1[O-])[C@@H]1CCc2ccccc21 ZINC000192626770 336200227 /nfs/dbraw/zinc/20/02/27/336200227.db2.gz ARWCTWKENSFKBK-OAHLLOKOSA-N -1 1 301.773 3.805 20 0 DHADMM O=C(Nc1ccc2nc[nH]c2c1)c1cc(O)ccc1C(F)(F)F ZINC000352627815 336227619 /nfs/dbraw/zinc/22/76/19/336227619.db2.gz YBYDMBGADOSTIF-UHFFFAOYSA-N -1 1 321.258 3.540 20 0 DHADMM [O-]c1ccc(-c2nc(-c3ccc4c(n3)CCCC4)no2)c(F)c1 ZINC000324583230 336229992 /nfs/dbraw/zinc/22/99/92/336229992.db2.gz XSZINEYKJOWCQF-UHFFFAOYSA-N -1 1 311.316 3.522 20 0 DHADMM Cc1nc(-c2ccc(NC3CCCCCC3)nc2)[n-]c(=O)c1C ZINC000301167052 336292857 /nfs/dbraw/zinc/29/28/57/336292857.db2.gz IIUKABZNTZDGRL-UHFFFAOYSA-N -1 1 312.417 3.996 20 0 DHADMM Cc1ccc(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)cc1 ZINC000301182486 336293719 /nfs/dbraw/zinc/29/37/19/336293719.db2.gz PTWXFAPYPWCOSO-UHFFFAOYSA-N -1 1 320.396 3.782 20 0 DHADMM Cc1nc(-c2ccc(N[C@H]3CCC[C@@H](C)C3)nc2)[n-]c(=O)c1C ZINC000301382799 336303629 /nfs/dbraw/zinc/30/36/29/336303629.db2.gz VKGKVOAAFASSGP-ABAIWWIYSA-N -1 1 312.417 3.852 20 0 DHADMM CC(C)n1cc([N-]c2nn3cc(C4CCCC4)nc3s2)cn1 ZINC000302508864 336360327 /nfs/dbraw/zinc/36/03/27/336360327.db2.gz FPKNLFVTAUQUCW-UHFFFAOYSA-N -1 1 316.434 3.969 20 0 DHADMM O=C(c1cncc([O-])c1)N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000355550527 336513910 /nfs/dbraw/zinc/51/39/10/336513910.db2.gz ARGNHTGCIAYWPZ-INIZCTEOSA-N -1 1 316.788 3.808 20 0 DHADMM CCOc1cc(C(=O)N2CCCCC[C@@H]2C)cc(Cl)c1[O-] ZINC000358102961 336611863 /nfs/dbraw/zinc/61/18/63/336611863.db2.gz CALWPBIOMGYROK-NSHDSACASA-N -1 1 311.809 3.849 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@H]2[C@H]1[C@H]2C(F)(F)F ZINC000371094837 336894336 /nfs/dbraw/zinc/89/43/36/336894336.db2.gz RSYUNWQSMBMINJ-CQDKDKBSSA-N -1 1 321.298 3.568 20 0 DHADMM CC[C@@H](C)CCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000376061124 337026122 /nfs/dbraw/zinc/02/61/22/337026122.db2.gz DSUNZUISBNIDAC-CQSZACIVSA-N -1 1 317.429 3.640 20 0 DHADMM CC[C@H](C)CCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000376061123 337026131 /nfs/dbraw/zinc/02/61/31/337026131.db2.gz DSUNZUISBNIDAC-AWEZNQCLSA-N -1 1 317.429 3.640 20 0 DHADMM Cc1ccccc1C1=CCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000377681753 337058178 /nfs/dbraw/zinc/05/81/78/337058178.db2.gz ROWAZKMPUCPCCL-UHFFFAOYSA-N -1 1 315.319 3.518 20 0 DHADMM COC(=O)c1c[n-]c(S[C@@H]2CCCc3ccc(F)cc32)n1 ZINC000193559449 337078441 /nfs/dbraw/zinc/07/84/41/337078441.db2.gz XWWLSDORQQLGBT-CYBMUJFWSA-N -1 1 306.362 3.505 20 0 DHADMM COc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c(C)c1 ZINC000445471272 337079473 /nfs/dbraw/zinc/07/94/73/337079473.db2.gz GUTOHNSKUQDFGC-UHFFFAOYSA-N -1 1 300.289 3.565 20 0 DHADMM Cc1ccc(-c2ccncc2)cc1NC(=O)c1ccc(O)cc1[O-] ZINC000171053815 337086666 /nfs/dbraw/zinc/08/66/66/337086666.db2.gz OXWSNFMFVVGFPF-UHFFFAOYSA-N -1 1 320.348 3.721 20 0 DHADMM O=C(Nc1ccc(OCc2ccccc2)cc1)c1cncc([O-])c1 ZINC000171910100 337090454 /nfs/dbraw/zinc/09/04/54/337090454.db2.gz UBBTYIQCTMCCOZ-UHFFFAOYSA-N -1 1 320.348 3.619 20 0 DHADMM CCc1noc(C)c1[N-]C(=O)c1nc(C)oc1-c1ccccc1 ZINC000185254914 337203724 /nfs/dbraw/zinc/20/37/24/337203724.db2.gz ILYPRJZOOTVKFA-UHFFFAOYSA-N -1 1 311.341 3.761 20 0 DHADMM CCOc1cc(C(=O)NC[C@@H]2CC=CCC2)cc(Cl)c1[O-] ZINC000186711051 337258912 /nfs/dbraw/zinc/25/89/12/337258912.db2.gz CEENXACTMVBESJ-LLVKDONJSA-N -1 1 309.793 3.530 20 0 DHADMM CCOc1cc(C(=O)N2CC[C@H](C)[C@@H]2CC)cc(Cl)c1[O-] ZINC000187404488 337265720 /nfs/dbraw/zinc/26/57/20/337265720.db2.gz IHVGBXIWKWJMPD-GWCFXTLKSA-N -1 1 311.809 3.705 20 0 DHADMM Cc1cc2cc(CN[C@H](CC(=O)[O-])c3ccncc3)oc2cc1C ZINC000583822872 337336848 /nfs/dbraw/zinc/33/68/48/337336848.db2.gz AMIAMCCYDJAEGV-QGZVFWFLSA-N -1 1 324.380 3.750 20 0 DHADMM CC(C)c1ncc(-c2nc(-c3ccc([O-])c(F)c3)no2)s1 ZINC000445473948 337458798 /nfs/dbraw/zinc/45/87/98/337458798.db2.gz PJRQVOCBCUUTIF-UHFFFAOYSA-N -1 1 305.334 3.828 20 0 DHADMM O=c1cc(C(F)F)nc(SCc2cccc(F)c2F)[n-]1 ZINC000514694322 337480443 /nfs/dbraw/zinc/48/04/43/337480443.db2.gz GTIISWYZHVQULO-UHFFFAOYSA-N -1 1 304.268 3.690 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCOc2cc(F)ccc21 ZINC000118278432 337850884 /nfs/dbraw/zinc/85/08/84/337850884.db2.gz GNCDUPALVCNNOF-UHFFFAOYSA-N -1 1 323.323 3.724 20 0 DHADMM CN(CCCCc1ccccc1)C(=O)c1c([O-])cccc1F ZINC000120104918 337868878 /nfs/dbraw/zinc/86/88/78/337868878.db2.gz FZLFPBCFVKVIBZ-UHFFFAOYSA-N -1 1 301.361 3.626 20 0 DHADMM CC(C)Sc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000122423687 337917740 /nfs/dbraw/zinc/91/77/40/337917740.db2.gz LWJQKYCHIUQPAH-UHFFFAOYSA-N -1 1 307.440 3.988 20 0 DHADMM COc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445450328 337981434 /nfs/dbraw/zinc/98/14/34/337981434.db2.gz RZOFJFOWOCMFGL-UHFFFAOYSA-N -1 1 302.717 3.771 20 0 DHADMM C[C@H]1C[C@@H]1c1ccc(CNC(=O)c2cc(Cl)ccc2[O-])o1 ZINC000515967466 338001677 /nfs/dbraw/zinc/00/16/77/338001677.db2.gz ZNYGPXVXYKTCJC-CABZTGNLSA-N -1 1 305.761 3.692 20 0 DHADMM [O-]c1ccc(-c2noc(CCc3cc(F)ccc3F)n2)c(F)c1 ZINC000445453747 338017068 /nfs/dbraw/zinc/01/70/68/338017068.db2.gz JMJHZYSUAUYRNZ-UHFFFAOYSA-N -1 1 320.270 3.645 20 0 DHADMM C[C@@H](OCc1ccccc1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445456176 338017449 /nfs/dbraw/zinc/01/74/49/338017449.db2.gz SNOJIIIHPPJXQH-LLVKDONJSA-N -1 1 314.316 3.859 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cccc4cnccc43)n2)c(F)c1 ZINC000445456924 338017518 /nfs/dbraw/zinc/01/75/18/338017518.db2.gz WOGWXAFTDCPVIL-UHFFFAOYSA-N -1 1 307.284 3.797 20 0 DHADMM [O-]c1ccc(-c2noc(C3(Cc4ccccc4)CC3)n2)c(F)c1 ZINC000445456925 338017570 /nfs/dbraw/zinc/01/75/70/338017570.db2.gz KYZNFAVHPDCDKW-UHFFFAOYSA-N -1 1 310.328 3.856 20 0 DHADMM [O-]c1ccc(-c2noc(-c3ccc4ccccc4n3)n2)c(F)c1 ZINC000445459686 338018624 /nfs/dbraw/zinc/01/86/24/338018624.db2.gz FWAUAZCZSXXIQA-UHFFFAOYSA-N -1 1 307.284 3.797 20 0 DHADMM CCC[C@H](NCc1ccc(-c2ccc(CC)cc2)o1)C(=O)[O-] ZINC000426699510 338038509 /nfs/dbraw/zinc/03/85/09/338038509.db2.gz JPIYEDKJWMUBBA-INIZCTEOSA-N -1 1 301.386 3.852 20 0 DHADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(SC)c2)c1 ZINC000433810089 338202664 /nfs/dbraw/zinc/20/26/64/338202664.db2.gz YGZMKKPVIPTNBA-UHFFFAOYSA-N -1 1 307.440 3.772 20 0 DHADMM Cc1cc(C(=O)CSc2nc(C3CC3)cc(=O)[n-]2)c(C)s1 ZINC000436238022 338262788 /nfs/dbraw/zinc/26/27/88/338262788.db2.gz CEPFZWMBGIHGEP-UHFFFAOYSA-N -1 1 320.439 3.713 20 0 DHADMM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OC)c2C)cc1 ZINC000436476030 338273500 /nfs/dbraw/zinc/27/35/00/338273500.db2.gz DKICBKKVSWYLLO-UHFFFAOYSA-N -1 1 317.410 3.756 20 0 DHADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(C(C)C)cc2)c1 ZINC000436506398 338274429 /nfs/dbraw/zinc/27/44/29/338274429.db2.gz BUXVKPDOJWEZTI-UHFFFAOYSA-N -1 1 313.353 3.555 20 0 DHADMM CSc1ccc([C@H](C)NC(=O)c2ccc([O-])cc2F)cc1 ZINC000436499051 338274459 /nfs/dbraw/zinc/27/44/59/338274459.db2.gz YNFAZIIVQTZQSC-JTQLQIEISA-N -1 1 305.374 3.744 20 0 DHADMM C[C@H](C1CC1)n1nccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436523942 338275159 /nfs/dbraw/zinc/27/51/59/338275159.db2.gz WZSFKRVCEQEENT-GFCCVEGCSA-N -1 1 321.380 3.965 20 0 DHADMM O=C(Nc1cccc(Oc2ccncc2)c1)c1cc(F)ccc1[O-] ZINC000436543551 338276371 /nfs/dbraw/zinc/27/63/71/338276371.db2.gz FLUHJRRCYLFDGM-UHFFFAOYSA-N -1 1 324.311 3.971 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N(Cc1ccccc1)CC1CCC1 ZINC000436546492 338276524 /nfs/dbraw/zinc/27/65/24/338276524.db2.gz FYXYZXFLLYVNIA-UHFFFAOYSA-N -1 1 313.372 3.974 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCCC[C@H]1Cc1ccccc1 ZINC000436548601 338276596 /nfs/dbraw/zinc/27/65/96/338276596.db2.gz VIYTWMGWFYEXOB-INIZCTEOSA-N -1 1 313.372 3.769 20 0 DHADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1nc(C(C)(C)C)cs1 ZINC000436554971 338276954 /nfs/dbraw/zinc/27/69/54/338276954.db2.gz HADUUWPCJWQHFW-SECBINFHSA-N -1 1 322.405 3.776 20 0 DHADMM CC(C)Oc1ccc(F)cc1NC(=O)c1cc(F)ccc1[O-] ZINC000436568324 338277487 /nfs/dbraw/zinc/27/74/87/338277487.db2.gz SHBPDRCOJVDGQH-UHFFFAOYSA-N -1 1 307.296 3.710 20 0 DHADMM CCCCCOC1CN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000436574321 338277827 /nfs/dbraw/zinc/27/78/27/338277827.db2.gz KNUVJSWEFKRATJ-UHFFFAOYSA-N -1 1 313.397 3.577 20 0 DHADMM CC(C)[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])CCS1 ZINC000436575775 338277930 /nfs/dbraw/zinc/27/79/30/338277930.db2.gz PATTURBDWWNOGO-QGZVFWFLSA-N -1 1 315.438 3.759 20 0 DHADMM O=C(NC[C@H]1CCCC[C@@H]1C(F)(F)F)c1cc(F)ccc1[O-] ZINC000436577671 338278025 /nfs/dbraw/zinc/27/80/25/338278025.db2.gz OWDPJEUMZPEREX-SKDRFNHKSA-N -1 1 319.298 3.630 20 0 DHADMM CC(C)Cn1cc(NC(=O)c2cc3ccccc3cc2[O-])cn1 ZINC000436577139 338278036 /nfs/dbraw/zinc/27/80/36/338278036.db2.gz SZAVROCFGBCMJC-UHFFFAOYSA-N -1 1 309.369 3.650 20 0 DHADMM COc1ccc(C(=O)N2CC3(CCCC3)c3ccccc32)c([O-])c1 ZINC000436590636 338278833 /nfs/dbraw/zinc/27/88/33/338278833.db2.gz UCDNOYHQSVBXKC-UHFFFAOYSA-N -1 1 323.392 3.873 20 0 DHADMM O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1cc2ccccc2cc1[O-] ZINC000436596089 338279176 /nfs/dbraw/zinc/27/91/76/338279176.db2.gz KYLDTBQFHHFBFU-DFQSSKMNSA-N -1 1 315.372 3.614 20 0 DHADMM CC1(C)CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@@H]1C1CC1 ZINC000436596878 338279227 /nfs/dbraw/zinc/27/92/27/338279227.db2.gz NZXJYTMEJSKFDJ-CYBMUJFWSA-N -1 1 313.319 3.672 20 0 DHADMM CC[C@H](C)n1ncc(NC(=O)c2cc(F)ccc2[O-])c1C1CC1 ZINC000436600746 338279328 /nfs/dbraw/zinc/27/93/28/338279328.db2.gz IAAPGARLUNSGLV-JTQLQIEISA-N -1 1 317.364 3.829 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CC(c2ccccc2F)C1 ZINC000436654133 338281764 /nfs/dbraw/zinc/28/17/64/338281764.db2.gz DVKAFISAKAGPFK-UHFFFAOYSA-N -1 1 321.351 3.924 20 0 DHADMM C[C@@H](Cc1ccccc1F)NC(=O)c1cc(Cl)ccc1[O-] ZINC000436675600 338282442 /nfs/dbraw/zinc/28/24/42/338282442.db2.gz VYOUIAVMPKYRCN-JTQLQIEISA-N -1 1 307.752 3.546 20 0 DHADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1cccc(O)c1 ZINC000436705452 338283586 /nfs/dbraw/zinc/28/35/86/338283586.db2.gz NMAXOCZXVUFHJN-GFCCVEGCSA-N -1 1 307.349 3.742 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2cccc(CCCO)c2)c([O-])c1 ZINC000436714747 338283927 /nfs/dbraw/zinc/28/39/27/338283927.db2.gz GWAPXXRYGITXPR-UHFFFAOYSA-N -1 1 313.397 3.693 20 0 DHADMM Cc1ccccc1OCCN(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000436720680 338283991 /nfs/dbraw/zinc/28/39/91/338283991.db2.gz GPGCJFQYYPIBLS-UHFFFAOYSA-N -1 1 319.788 3.505 20 0 DHADMM O=C(NC[C@H]1CCCC[C@H]1C(F)(F)F)c1c([O-])cccc1F ZINC000436727559 338284547 /nfs/dbraw/zinc/28/45/47/338284547.db2.gz ZVDFOHCSCVWSGC-NXEZZACHSA-N -1 1 319.298 3.630 20 0 DHADMM CCc1ccccc1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436737176 338284749 /nfs/dbraw/zinc/28/47/49/338284749.db2.gz IHGWLIXELKAIBE-UHFFFAOYSA-N -1 1 305.761 3.869 20 0 DHADMM CC[C@@H](c1ccccc1OC)N(C)C(=O)c1ccc([O-])cc1F ZINC000436736788 338284755 /nfs/dbraw/zinc/28/47/55/338284755.db2.gz HGEUZPJXGCOTFY-INIZCTEOSA-N -1 1 317.360 3.763 20 0 DHADMM CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1ccc([O-])cc1F ZINC000436749054 338285478 /nfs/dbraw/zinc/28/54/78/338285478.db2.gz RRHVZTDEONPEAB-QGZVFWFLSA-N -1 1 317.360 3.763 20 0 DHADMM COc1ccc(C(=O)Nc2ccc3oc(C4CC4)nc3c2)c([O-])c1 ZINC000436763355 338286192 /nfs/dbraw/zinc/28/61/92/338286192.db2.gz XHCJKSAWUNAZJL-UHFFFAOYSA-N -1 1 324.336 3.672 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@@H]1c1ccccc1 ZINC000436764709 338286451 /nfs/dbraw/zinc/28/64/51/338286451.db2.gz SVICOHKEBHLERK-CQSZACIVSA-N -1 1 321.298 3.998 20 0 DHADMM Cc1cn2cc(NC(=O)c3cc4ccccc4cc3[O-])ccc2n1 ZINC000436777983 338286907 /nfs/dbraw/zinc/28/69/07/338286907.db2.gz OUYYLIWQDNKASG-UHFFFAOYSA-N -1 1 317.348 3.754 20 0 DHADMM O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(Cl)cc1[O-] ZINC000436798077 338287867 /nfs/dbraw/zinc/28/78/67/338287867.db2.gz QWTMTMHUNNIMRW-GXFFZTMASA-N -1 1 323.726 3.610 20 0 DHADMM Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c(C)n1 ZINC000436808371 338288140 /nfs/dbraw/zinc/28/81/40/338288140.db2.gz ORPKSPHHFKVTOZ-UHFFFAOYSA-N -1 1 310.275 3.675 20 0 DHADMM Cc1sc(CNC(=O)c2ccc(Cl)cc2[O-])nc1C(C)C ZINC000436836342 338289116 /nfs/dbraw/zinc/28/91/16/338289116.db2.gz CYYHHQVZWCMVSE-UHFFFAOYSA-N -1 1 324.833 3.864 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCCc2occc2C1 ZINC000436859085 338290270 /nfs/dbraw/zinc/29/02/70/338290270.db2.gz WTPCLDZAQQAPNK-UHFFFAOYSA-N -1 1 307.349 3.727 20 0 DHADMM O=C(NCc1ccc2ncccc2c1)c1ccc(Cl)cc1[O-] ZINC000436864571 338290431 /nfs/dbraw/zinc/29/04/31/338290431.db2.gz OBJNCLXKZZQQHK-UHFFFAOYSA-N -1 1 312.756 3.524 20 0 DHADMM Cc1cc(C(=O)Nc2ccc(Cl)cc2[O-])nn1[C@H](C)C1CC1 ZINC000436871195 338290830 /nfs/dbraw/zinc/29/08/30/338290830.db2.gz JAOROKMZNHNNFX-SNVBAGLBSA-N -1 1 319.792 3.774 20 0 DHADMM [O-]c1ccc(-c2noc(-c3occ4c3CCC4)n2)c(Cl)c1 ZINC000436873740 338290987 /nfs/dbraw/zinc/29/09/87/338290987.db2.gz QUQKENFVLKVNHH-UHFFFAOYSA-N -1 1 302.717 3.844 20 0 DHADMM CCN(Cc1cccc(F)c1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436880146 338291377 /nfs/dbraw/zinc/29/13/77/338291377.db2.gz IZYMJKFOVYMKJB-UHFFFAOYSA-N -1 1 307.752 3.847 20 0 DHADMM O=C(NC[C@H]1CCCC[C@@H]1C(F)(F)F)c1c([O-])cccc1F ZINC000436917626 338293355 /nfs/dbraw/zinc/29/33/55/338293355.db2.gz ZVDFOHCSCVWSGC-ZJUUUORDSA-N -1 1 319.298 3.630 20 0 DHADMM O=C(N[C@H]1C[C@@H]1c1c(F)cccc1Cl)c1c([O-])cccc1F ZINC000436953064 338295572 /nfs/dbraw/zinc/29/55/72/338295572.db2.gz ZXZYMVFEUMABRK-UFBFGSQYSA-N -1 1 323.726 3.610 20 0 DHADMM [O-]c1ccc(-c2noc(-c3ccoc3C(F)(F)F)n2)cc1F ZINC000436955959 338295642 /nfs/dbraw/zinc/29/56/42/338295642.db2.gz OCLQVOMRADTNCG-UHFFFAOYSA-N -1 1 314.194 3.860 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CC=C(c2ccccc2F)C1 ZINC000436962581 338296176 /nfs/dbraw/zinc/29/61/76/338296176.db2.gz XOPKDOMKPPHUGQ-UHFFFAOYSA-N -1 1 317.747 3.724 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000436983548 338296781 /nfs/dbraw/zinc/29/67/81/338296781.db2.gz KHBZFGACRXRCRR-LBPRGKRZSA-N -1 1 319.763 3.814 20 0 DHADMM Cc1cc(CN(C)C(=O)c2cc(Cl)ccc2[O-])ccc1F ZINC000436999603 338297301 /nfs/dbraw/zinc/29/73/01/338297301.db2.gz KEIAQYMYLQLDAI-UHFFFAOYSA-N -1 1 307.752 3.765 20 0 DHADMM Cc1cc(CN(C)C(=O)c2ccc(Cl)cc2[O-])ccc1F ZINC000437002425 338297312 /nfs/dbraw/zinc/29/73/12/338297312.db2.gz QJUOEXOOQLDGLA-UHFFFAOYSA-N -1 1 307.752 3.765 20 0 DHADMM CC(C)[C@H](CC(F)(F)F)NC(=O)c1ccc(Cl)cc1[O-] ZINC000438600988 338349655 /nfs/dbraw/zinc/34/96/55/338349655.db2.gz OOMICDHZIMLVKJ-JTQLQIEISA-N -1 1 309.715 3.752 20 0 DHADMM Cc1cccc2sc(NC(=O)c3c(F)ccc([O-])c3F)nc21 ZINC000438782033 338352058 /nfs/dbraw/zinc/35/20/58/338352058.db2.gz AUBCBRIKIHZRKG-UHFFFAOYSA-N -1 1 320.320 3.841 20 0 DHADMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000438792487 338352149 /nfs/dbraw/zinc/35/21/49/338352149.db2.gz PLDINLBKNZBACU-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM CC(C)(C)Oc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000439055055 338359787 /nfs/dbraw/zinc/35/97/87/338359787.db2.gz HKHQBKSWQUUZBA-UHFFFAOYSA-N -1 1 301.342 3.527 20 0 DHADMM O=C(NC[C@@H]1CCC[C@@H]1c1ccccc1)c1ccc([O-])cc1F ZINC000452410134 338765791 /nfs/dbraw/zinc/76/57/91/338765791.db2.gz REQISRYTDVLHIB-GOEBONIOSA-N -1 1 313.372 3.845 20 0 DHADMM O=C(c1cncc([O-])c1)N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000456380660 338928326 /nfs/dbraw/zinc/92/83/26/338928326.db2.gz NLIGXOKAIOYGMY-INIZCTEOSA-N -1 1 316.788 3.808 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000456779944 338940289 /nfs/dbraw/zinc/94/02/89/338940289.db2.gz AQDZPDBBLXYCAA-SFYZADRCSA-N -1 1 323.261 3.978 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)c1csc2c1CCCC2 ZINC000456793474 338941076 /nfs/dbraw/zinc/94/10/76/338941076.db2.gz MJVDTNBJYDOGNG-UHFFFAOYSA-N -1 1 309.337 3.863 20 0 DHADMM CCOc1cc(C(=O)N(C)C2CC(C)(C)C2)cc(Cl)c1[O-] ZINC000458202359 338991706 /nfs/dbraw/zinc/99/17/06/338991706.db2.gz IDNOWGRHZIXZQQ-UHFFFAOYSA-N -1 1 311.809 3.705 20 0 DHADMM Cc1ccc(C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C(C)C)s1 ZINC000459314446 339021152 /nfs/dbraw/zinc/02/11/52/339021152.db2.gz ZQCVEOMUDNIUNW-UHFFFAOYSA-N -1 1 317.458 3.840 20 0 DHADMM Oc1cccc(CNc2cc3c(cn2)CCC3)c1Br ZINC000459597195 339037952 /nfs/dbraw/zinc/03/79/52/339037952.db2.gz VPPGOBKFXLFBPY-UHFFFAOYSA-N -1 1 319.202 3.651 20 0 DHADMM CC[C@@H]1CCC[C@@H]1Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000465053607 339167046 /nfs/dbraw/zinc/16/70/46/339167046.db2.gz UPRPENWZUNOMMQ-HIFRSBDPSA-N -1 1 312.417 3.852 20 0 DHADMM CCCc1cc(=O)[n-]c(SCc2nc3ccc(F)cc3o2)n1 ZINC000466743511 339215496 /nfs/dbraw/zinc/21/54/96/339215496.db2.gz NVKBNAXVUHPVDO-UHFFFAOYSA-N -1 1 319.361 3.707 20 0 DHADMM O=C(/C=C\C1CC1)Nc1c([O-])cc(Br)cc1Cl ZINC000493734476 339932334 /nfs/dbraw/zinc/93/23/34/339932334.db2.gz AIVIYEMEDYYSRV-ARJAWSKDSA-N -1 1 316.582 3.713 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)C(C)(C)C2CC2)c1 ZINC000503856011 340135264 /nfs/dbraw/zinc/13/52/64/340135264.db2.gz FVQFSJQMQUEEFB-UHFFFAOYSA-N -1 1 312.207 3.838 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc([C@@H]2CCCOC2)cc1 ZINC000507329079 340217266 /nfs/dbraw/zinc/21/72/66/340217266.db2.gz VMCUIIMKSCKWHQ-CQSZACIVSA-N -1 1 315.344 3.678 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc([C@H]2CCCOC2)cc1 ZINC000507329075 340217368 /nfs/dbraw/zinc/21/73/68/340217368.db2.gz VMCUIIMKSCKWHQ-AWEZNQCLSA-N -1 1 315.344 3.678 20 0 DHADMM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2cncc([O-])c2)o1 ZINC000173222973 340360580 /nfs/dbraw/zinc/36/05/80/340360580.db2.gz GYZWCLUQGGBGFV-BLLLJJGKSA-N -1 1 314.385 3.556 20 0 DHADMM Cc1cccc([C@@H]2CC[N@@H+](Cc3c(F)ccc(O)c3F)C2)c1 ZINC000512403847 340360743 /nfs/dbraw/zinc/36/07/43/340360743.db2.gz OQYLSNKVUZVMOV-CQSZACIVSA-N -1 1 303.352 3.968 20 0 DHADMM O=C(Nc1ccc(OC2CCCC2)c(F)c1)c1cncc([O-])c1 ZINC000174531480 340390876 /nfs/dbraw/zinc/39/08/76/340390876.db2.gz CCJMKLGBVPZQSK-UHFFFAOYSA-N -1 1 316.332 3.500 20 0 DHADMM CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccc([O-])c(Cl)c2)CCO1 ZINC000513744837 340423223 /nfs/dbraw/zinc/42/32/23/340423223.db2.gz QELXNMVWHWKJJJ-XHDPSFHLSA-N -1 1 311.809 3.825 20 0 DHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)C1CCC(O)CC1 ZINC000529539043 340761053 /nfs/dbraw/zinc/76/10/53/340761053.db2.gz OFGYAQOBKJXPKC-UHFFFAOYSA-N -1 1 319.788 3.688 20 0 DHADMM C[C@H]1C[C@@H](C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CCO1 ZINC000529538680 340761071 /nfs/dbraw/zinc/76/10/71/340761071.db2.gz JMLHENPXPPDGHW-QWRGUYRKSA-N -1 1 319.788 3.952 20 0 DHADMM C[C@H]1OCC[C@@H]1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529539732 340761131 /nfs/dbraw/zinc/76/11/31/340761131.db2.gz SYBDCWCCTZYLBY-ZJUUUORDSA-N -1 1 305.761 3.562 20 0 DHADMM Cc1cccc(-c2ccc([N-]S(=O)(=O)CCC3CC3)nc2)c1 ZINC000530156404 340780847 /nfs/dbraw/zinc/78/08/47/340780847.db2.gz BGVIFUGPERQNSQ-UHFFFAOYSA-N -1 1 316.426 3.599 20 0 DHADMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1csc(C(C)(C)C)n1 ZINC000530177044 340781791 /nfs/dbraw/zinc/78/17/91/340781791.db2.gz WKRJEGQMEWOIMV-GHMZBOCLSA-N -1 1 310.463 3.514 20 0 DHADMM CC(C)CCC1CCN(Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000124778406 340800851 /nfs/dbraw/zinc/80/08/51/340800851.db2.gz IFWPMEPPMLILRJ-UHFFFAOYSA-N -1 1 319.474 3.633 20 0 DHADMM CC(C)Nc1ncccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129618563 340976558 /nfs/dbraw/zinc/97/65/58/340976558.db2.gz QBNNPXFMILXRBZ-UHFFFAOYSA-N -1 1 305.765 3.513 20 0 DHADMM CCS(=O)(=O)[N-]c1cccc(-c2ccc3ccccc3c2)n1 ZINC000130798160 341045043 /nfs/dbraw/zinc/04/50/43/341045043.db2.gz ISZKMSLMCQFJBW-UHFFFAOYSA-N -1 1 312.394 3.663 20 0 DHADMM CC[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])CCS1 ZINC000075385636 341175176 /nfs/dbraw/zinc/17/51/76/341175176.db2.gz LSNZXBNPEGXAEZ-CQSZACIVSA-N -1 1 301.411 3.513 20 0 DHADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(CSC)c1 ZINC000547631665 341224137 /nfs/dbraw/zinc/22/41/37/341224137.db2.gz QWCCULGKIYGINO-UHFFFAOYSA-N -1 1 321.467 3.913 20 0 DHADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000135388403 341238271 /nfs/dbraw/zinc/23/82/71/341238271.db2.gz ASMPDBBPTIDMNC-UHFFFAOYSA-N -1 1 321.373 3.528 20 0 DHADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1 ZINC000078677230 341246040 /nfs/dbraw/zinc/24/60/40/341246040.db2.gz MRYNVOHFFYHVAF-UHFFFAOYSA-N -1 1 314.410 3.921 20 0 DHADMM COc1ccc(NC(=O)c2ccc3ccccc3c2[O-])c(OC)c1 ZINC000135793893 341246214 /nfs/dbraw/zinc/24/62/14/341246214.db2.gz IBAIPTCFUNNTJW-UHFFFAOYSA-N -1 1 323.348 3.815 20 0 DHADMM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2cc(F)ccc2[O-])C1 ZINC000080029356 341268855 /nfs/dbraw/zinc/26/88/55/341268855.db2.gz AICRTSXXZIALHB-UONOGXRCSA-N -1 1 313.372 3.858 20 0 DHADMM O=S(=O)([N-]c1ccc2nc(C3CC3)oc2c1)c1ccccc1 ZINC000080326482 341272885 /nfs/dbraw/zinc/27/28/85/341272885.db2.gz AZPTVDDEHHLVJW-UHFFFAOYSA-N -1 1 314.366 3.506 20 0 DHADMM COc1ccc([C@@H](C)NC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000080399610 341273436 /nfs/dbraw/zinc/27/34/36/341273436.db2.gz NKCRNHDLEHSFDH-SNVBAGLBSA-N -1 1 305.761 3.545 20 0 DHADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCc2ccccc21 ZINC000549157948 341287535 /nfs/dbraw/zinc/28/75/35/341287535.db2.gz VRGTXZUWJUBXGE-UHFFFAOYSA-N -1 1 324.767 3.797 20 0 DHADMM O=C(Nc1ccc2ncsc2c1)c1c(F)ccc([O-])c1F ZINC000554853766 341466775 /nfs/dbraw/zinc/46/67/75/341466775.db2.gz CTPLJNQAKRPPGH-UHFFFAOYSA-N -1 1 306.293 3.532 20 0 DHADMM O=C(NCCCSc1ccc(F)cc1)c1ccc([O-])cc1F ZINC000154622941 341592550 /nfs/dbraw/zinc/59/25/50/341592550.db2.gz KQNGIUBOYICOSF-UHFFFAOYSA-N -1 1 323.364 3.583 20 0 DHADMM CCc1nc(SCCCSCC(C)C)[n-]c(=O)c1C ZINC000574771102 341768602 /nfs/dbraw/zinc/76/86/02/341768602.db2.gz QXDCFYJMEJGAIW-UHFFFAOYSA-N -1 1 300.493 3.924 20 0 DHADMM C[C@H]1CCCC[C@H]1OCCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000574797514 341769191 /nfs/dbraw/zinc/76/91/91/341769191.db2.gz DPXIOGSFOCIWKJ-GXSJLCMTSA-N -1 1 318.389 3.807 20 0 DHADMM CCCCS[C@H](C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000354736223 517566478 /nfs/dbraw/zinc/56/64/78/517566478.db2.gz HFOLECDBJHOIAM-LLVKDONJSA-N -1 1 319.430 3.643 20 0 DHADMM CCN(C(=O)c1cncc([O-])c1)[C@H](C)c1cc2ccccc2o1 ZINC000111578775 520118022 /nfs/dbraw/zinc/11/80/22/520118022.db2.gz XHTRPELUYCQYEV-GFCCVEGCSA-N -1 1 310.353 3.757 20 0 DHADMM CCc1onc(C)c1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180785412 523060636 /nfs/dbraw/zinc/06/06/36/523060636.db2.gz QFFBXNZAKZWERF-UHFFFAOYSA-N -1 1 314.263 3.522 20 0 DHADMM C[S@@](=O)c1ccc(NCc2cccc([O-])c2Cl)cc1F ZINC000339312221 525377132 /nfs/dbraw/zinc/37/71/32/525377132.db2.gz BVLCUDNKNZLVMW-HXUWFJFHSA-N -1 1 313.781 3.534 20 0 DHADMM C[C@@H]1C[C@H](C)CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000338337452 525378166 /nfs/dbraw/zinc/37/81/66/525378166.db2.gz ISUIERSNHBHVTR-PHIMTYICSA-N -1 1 318.804 3.712 20 0 DHADMM C[S@](=O)c1ccc(NCc2cccc([O-])c2Cl)cc1F ZINC000339312220 525395447 /nfs/dbraw/zinc/39/54/47/525395447.db2.gz BVLCUDNKNZLVMW-FQEVSTJZSA-N -1 1 313.781 3.534 20 0 DHADMM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cncc([O-])c1 ZINC000267039489 526046688 /nfs/dbraw/zinc/04/66/88/526046688.db2.gz OSQUCZUKJKFFJE-NEPJUHHUSA-N -1 1 318.804 3.705 20 0 DHADMM C[C@H](c1cccnc1)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180413003 526129203 /nfs/dbraw/zinc/12/92/03/526129203.db2.gz PPRPTDKWAKHZMD-SNVBAGLBSA-N -1 1 324.302 3.639 20 0 DHADMM Cc1noc(C)c1C[C@@H](C)NC(=O)c1ccc2ccccc2c1[O-] ZINC000129778431 526531902 /nfs/dbraw/zinc/53/19/02/526531902.db2.gz PXYOXYZGVSNHSV-LLVKDONJSA-N -1 1 324.380 3.511 20 0 DHADMM O=C(N[C@H](c1ccccc1F)C1CCCC1)c1cncc([O-])c1 ZINC000339914325 527009532 /nfs/dbraw/zinc/00/95/32/527009532.db2.gz SAJVUIFYPMAZGQ-KRWDZBQOSA-N -1 1 314.360 3.588 20 0 DHADMM O=C([O-])CCCCN1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000181565939 527582206 /nfs/dbraw/zinc/58/22/06/527582206.db2.gz RGSUADJCEJCROR-CQSZACIVSA-N -1 1 313.850 3.685 20 0 DHADMM Cc1ccc(Cl)cc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000822240138 607308368 /nfs/dbraw/zinc/30/83/68/607308368.db2.gz UGIGDDBIIKRZGI-UHFFFAOYSA-N -1 1 305.794 3.502 20 0 DHADMM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1cc(F)c(F)c(F)c1 ZINC000820149076 598192132 /nfs/dbraw/zinc/19/21/32/598192132.db2.gz UXSPHWBCLRQWQU-SECBINFHSA-N -1 1 309.287 3.653 20 0 DHADMM O=C([O-])C[C@@H]1CCCCN1Cc1cc(Cl)ccc1Cl ZINC000087761499 600950144 /nfs/dbraw/zinc/95/01/44/600950144.db2.gz SYCDGFCMVIUMLM-LBPRGKRZSA-N -1 1 302.201 3.823 20 0 DHADMM O=C([O-])[C@@H](NCc1cccc(Cl)c1)c1cc(F)ccc1F ZINC000683172451 599788093 /nfs/dbraw/zinc/78/80/93/599788093.db2.gz ATDJKYLSAGNADP-AWEZNQCLSA-N -1 1 311.715 3.534 20 0 DHADMM Cc1cc(CN2CCC(c3ccccc3F)CC2)oc1C(=O)[O-] ZINC000738382544 600217519 /nfs/dbraw/zinc/21/75/19/600217519.db2.gz JWCRRTGNQVUQDM-UHFFFAOYSA-N -1 1 317.360 3.805 20 0 DHADMM C[C@H](c1ccc(F)c(Cl)c1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405369656 600296689 /nfs/dbraw/zinc/29/66/89/600296689.db2.gz XSVKLSFKMKUTJM-ZYHUDNBSSA-N -1 1 311.784 3.727 20 0 DHADMM CCN(Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)CC1CC1 ZINC000570851390 600613419 /nfs/dbraw/zinc/61/34/19/600613419.db2.gz HPFHKCKZSNNPKG-UHFFFAOYSA-N -1 1 316.426 3.740 20 0 DHADMM CSc1ccc(F)cc1CN[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000832781538 600694169 /nfs/dbraw/zinc/69/41/69/600694169.db2.gz WPUDMCIJZPYVCD-OAHLLOKOSA-N -1 1 323.364 3.602 20 0 DHADMM COc1ccc(C)cc1[C@H](C)N[C@H](C(=O)[O-])c1ccccc1F ZINC000832251845 600734452 /nfs/dbraw/zinc/73/44/52/600734452.db2.gz DAOGXQSEEDQHFB-SJCJKPOMSA-N -1 1 317.360 3.619 20 0 DHADMM Cc1ccc2nc(S[C@@H](C(=O)[O-])c3ccccc3F)[nH]c2c1 ZINC000832958807 600832657 /nfs/dbraw/zinc/83/26/57/600832657.db2.gz KLCWBGBLRUAERF-CQSZACIVSA-N -1 1 316.357 3.928 20 0 DHADMM CCCC[C@@H](Sc1nc(C=Cc2ccccc2)n[nH]1)C(=O)[O-] ZINC000829296685 600836301 /nfs/dbraw/zinc/83/63/01/600836301.db2.gz XCOPHQRXGPHOOO-OCHBPSSRSA-N -1 1 317.414 3.711 20 0 DHADMM C[C@@H]1C[C@@H](c2ccccc2F)N(Cc2occc2C(=O)[O-])C1 ZINC000575995361 600839815 /nfs/dbraw/zinc/83/98/15/600839815.db2.gz MIQYZFHYMVTFRI-ABAIWWIYSA-N -1 1 303.333 3.700 20 0 DHADMM Cc1ccc([C@H]2C[C@H](C)CCN2Cc2ccc(C(=O)[O-])o2)o1 ZINC000832931476 600858307 /nfs/dbraw/zinc/85/83/07/600858307.db2.gz YMXYGMGPNIGCHN-BXUZGUMPSA-N -1 1 303.358 3.852 20 0 DHADMM CCc1ccc([C@H]2CCCCN2Cc2occc2C(=O)[O-])o1 ZINC000521633899 600968087 /nfs/dbraw/zinc/96/80/87/600968087.db2.gz LYDKIADOBKHWSQ-CQSZACIVSA-N -1 1 303.358 3.860 20 0 DHADMM Cc1ccc([C@H]2CCCCN2Cc2cc(C(=O)[O-])oc2C)o1 ZINC000738581957 600969016 /nfs/dbraw/zinc/96/90/16/600969016.db2.gz IIPFAVQOVWBRNG-CQSZACIVSA-N -1 1 303.358 3.915 20 0 DHADMM O=C([O-])[C@]1(F)CCN(Cc2ccc3oc4ccccc4c3c2)C1 ZINC000833175073 601438522 /nfs/dbraw/zinc/43/85/22/601438522.db2.gz MZMNTXGTSBPJKN-SFHVURJKSA-N -1 1 313.328 3.585 20 0 DHADMM CN(Cc1cccc(Cl)c1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000234295402 601613680 /nfs/dbraw/zinc/61/36/80/601613680.db2.gz FCQAQGDOJKHTSO-UHFFFAOYSA-N -1 1 307.752 3.809 20 0 DHADMM C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000827935366 601616893 /nfs/dbraw/zinc/61/68/93/601616893.db2.gz PSCZOMYJCRWZAE-JTQLQIEISA-N -1 1 323.314 3.995 20 0 DHADMM C[C@H](C(=O)[O-])[C@@H](NCc1cc(F)ccc1F)c1ccccc1 ZINC000426749525 601652151 /nfs/dbraw/zinc/65/21/51/601652151.db2.gz GMECHFUUXIXIAO-MEDUHNTESA-N -1 1 305.324 3.516 20 0 DHADMM Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(C(=O)[O-])s1)CCC2 ZINC000652413342 601954146 /nfs/dbraw/zinc/95/41/46/601954146.db2.gz RLTJIVJXOHAQKD-GFCCVEGCSA-N -1 1 322.455 3.721 20 0 DHADMM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1C[C@H]2CCC[C@@H]21 ZINC000833171788 602049916 /nfs/dbraw/zinc/04/99/16/602049916.db2.gz PWBBTTUKOHZVKS-JCOFBHIZSA-N -1 1 300.185 3.603 20 0 DHADMM CCc1ncc(CN2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])s1 ZINC000833677612 604684394 /nfs/dbraw/zinc/68/43/94/604684394.db2.gz WNTAIALVRNSFOG-ZFWWWQNUSA-N -1 1 322.474 3.561 20 0 DHADMM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1Cc1ccoc1C(=O)[O-] ZINC000568066066 604721492 /nfs/dbraw/zinc/72/14/92/604721492.db2.gz OMBVLZRGSXKYPE-QWRGUYRKSA-N -1 1 303.333 3.625 20 0 DHADMM CC(C)N(Cc1cccs1)Cc1ccc(C(=O)[O-])cc1F ZINC000062754878 604751280 /nfs/dbraw/zinc/75/12/80/604751280.db2.gz XFNIKWNDPFCPQR-UHFFFAOYSA-N -1 1 307.390 3.996 20 0 DHADMM C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc(C(=O)[O-])cc1F ZINC000833604057 605701112 /nfs/dbraw/zinc/70/11/12/605701112.db2.gz COKQBKCXLQCCSE-SKDRFNHKSA-N -1 1 319.298 3.687 20 0 DHADMM C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000833606624 605703392 /nfs/dbraw/zinc/70/33/92/605703392.db2.gz SGTJEDJLIJOVIZ-ONGXEEELSA-N -1 1 319.298 3.687 20 0 DHADMM O=C([O-])N[C@@H]1C[C@H](NCc2ccc(Cl)s2)c2ccccc21 ZINC000834158624 605795253 /nfs/dbraw/zinc/79/52/53/605795253.db2.gz OLDYAANTMHJVOV-QWHCGFSZSA-N -1 1 322.817 3.945 20 0 DHADMM CC[C@H](NCc1cc(C(=O)[O-])ccc1F)c1ccccc1OC ZINC000833645932 605844282 /nfs/dbraw/zinc/84/42/82/605844282.db2.gz ZVZYKAFFQVHGOH-INIZCTEOSA-N -1 1 317.360 3.773 20 0 DHADMM O=C([O-])Nc1cccc(CNC2(c3ccccc3F)CC2)c1 ZINC000834269839 605972418 /nfs/dbraw/zinc/97/24/18/605972418.db2.gz SYIJGHRZABERPZ-UHFFFAOYSA-N -1 1 300.333 3.695 20 0 DHADMM Cc1ccccc1CSc1snc(Cl)c1-c1nnn[n-]1 ZINC000826307727 608171192 /nfs/dbraw/zinc/17/11/92/608171192.db2.gz UNORULXMQOVIOH-UHFFFAOYSA-N -1 1 323.834 3.577 20 0 DHADMM Cc1ccccc1CSc1snc(Cl)c1-c1nn[n-]n1 ZINC000826307727 608171193 /nfs/dbraw/zinc/17/11/93/608171193.db2.gz UNORULXMQOVIOH-UHFFFAOYSA-N -1 1 323.834 3.577 20 0 DHADMM CCc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1CC ZINC000825717631 608428869 /nfs/dbraw/zinc/42/88/69/608428869.db2.gz NVZKEULSHQEORR-UHFFFAOYSA-N -1 1 313.430 3.665 20 0 DHADMM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2cc(Cl)ccc2Cl)C1 ZINC000263138248 950289360 /nfs/dbraw/zinc/28/93/60/950289360.db2.gz DJTFSSBHDNIXEK-ONGXEEELSA-N -1 1 302.201 3.536 20 0 DHADMM O=C([O-])[C@H](NCc1ccccc1)c1cccc(Cl)c1Cl ZINC000037952367 957337839 /nfs/dbraw/zinc/33/78/39/957337839.db2.gz XJCAPZXHJZLFPC-CQSZACIVSA-N -1 1 310.180 3.909 20 0 DHADMM COc1ccc(CN[C@H](C(=O)[O-])c2cccc(C)c2)c(Cl)c1 ZINC001594094633 958390092 /nfs/dbraw/zinc/39/00/92/958390092.db2.gz QYUFMQZKGLUBSA-INIZCTEOSA-N -1 1 319.788 3.573 20 0 DHADMM C[C@H](Cc1ccccc1Cl)NC(=O)c1cc(F)ccc1[O-] ZINC001625850014 1013234520 /nfs/dbraw/zinc/23/45/20/1013234520.db2.gz SMOINFDVCXVEJP-SNVBAGLBSA-N -1 1 307.752 3.546 20 0 DHADMM COc1ccc(-c2csc3[n-]c(-c4ccco4)nc(=O)c23)cc1 ZINC000047682137 1013265366 /nfs/dbraw/zinc/26/53/66/1013265366.db2.gz NZYAYUWGYMAILI-UHFFFAOYSA-N -1 1 324.361 3.920 20 0 DHADMM C[C@@H]1CCc2[n-]n(Cc3ccc(Br)cc3)c(=O)c2C1 ZINC000634616762 1013273030 /nfs/dbraw/zinc/27/30/30/1013273030.db2.gz WGIQOTQURQABJV-MFKMUULPSA-N -1 1 321.218 3.584 20 0 DHADMM CC(C)Oc1cccc([C@@H](C)NC(=O)c2cc(F)ccc2[O-])c1 ZINC001625859640 1013296149 /nfs/dbraw/zinc/29/61/49/1013296149.db2.gz LQPXYAHYZOHZJP-GFCCVEGCSA-N -1 1 317.360 3.810 20 0 DHADMM CC(C)[C@H](NCc1cccc(C(=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000263427631 962601343 /nfs/dbraw/zinc/60/13/43/962601343.db2.gz RCHSKNNYVQEGHS-KRWDZBQOSA-N -1 1 323.396 3.748 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1cc(Br)cs1 ZINC000340326352 1013495254 /nfs/dbraw/zinc/49/52/54/1013495254.db2.gz BBOGHXBNYZPZDN-UHFFFAOYSA-N -1 1 316.151 3.608 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1cccc(-c2cscn2)c1 ZINC000340331313 1013497887 /nfs/dbraw/zinc/49/78/87/1013497887.db2.gz TWMJZHRDYRFUAO-UHFFFAOYSA-N -1 1 314.341 3.907 20 0 DHADMM Cc1nc(C(=O)[N-]c2nc(-c3cccs3)ns2)sc1C ZINC000683567455 1013645277 /nfs/dbraw/zinc/64/52/77/1013645277.db2.gz OQBCJFURZCTIMZ-UHFFFAOYSA-N -1 1 322.440 3.592 20 0 DHADMM COc1ccc([N-]S(=O)(=O)c2ccccc2SC)c(C)c1 ZINC000188415365 1013737868 /nfs/dbraw/zinc/73/78/68/1013737868.db2.gz PNEREJGFIYTBQB-UHFFFAOYSA-N -1 1 323.439 3.526 20 0 DHADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(F)cc1C(F)(F)F ZINC000263515593 967898277 /nfs/dbraw/zinc/89/82/77/967898277.db2.gz OPQPKFRBVZQMQU-GXSJLCMTSA-N -1 1 319.298 3.530 20 0 DHADMM Cc1nc(S[C@@H](C)c2ncc(C(C)(C)C)o2)[n-]c(=O)c1C ZINC000330674148 1013833137 /nfs/dbraw/zinc/83/31/37/1013833137.db2.gz HWHSHFCGRDUNBX-JTQLQIEISA-N -1 1 307.419 3.938 20 0 DHADMM COc1cc(C(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)cc(Cl)c1[O-] ZINC000334091310 1013886360 /nfs/dbraw/zinc/88/63/60/1013886360.db2.gz PSEKQQBXRCZRRG-GBIKHYSHSA-N -1 1 311.809 3.609 20 0 DHADMM Cc1noc(C)c1[C@H](C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000070953949 1014080006 /nfs/dbraw/zinc/08/00/06/1014080006.db2.gz QBCASEVRQIVRSZ-JTQLQIEISA-N -1 1 310.353 3.641 20 0 DHADMM Cc1nc2ccc(Nc3cc(Cl)c([O-])c(Cl)c3)cn2n1 ZINC001210927771 1014090716 /nfs/dbraw/zinc/09/07/16/1014090716.db2.gz YQUWPNPJHCUYRI-UHFFFAOYSA-N -1 1 309.156 3.794 20 0 DHADMM Cc1nc(-c2ccco2)ccc1C(=O)Nc1c([O-])cccc1F ZINC000089541561 1014102594 /nfs/dbraw/zinc/10/25/94/1014102594.db2.gz RJCHMJPAGMJWKR-UHFFFAOYSA-N -1 1 312.300 3.747 20 0 DHADMM 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/nfs/dbraw/zinc/50/44/42/1015504442.db2.gz GIKPKEHTODBJCO-LBPRGKRZSA-N -1 1 323.717 3.912 20 0 DHADMM [O-]c1ccc(-c2noc(C3C[C@H]4CC[C@@H](C3)S4)n2)cc1F ZINC000896225361 1015510715 /nfs/dbraw/zinc/51/07/15/1015510715.db2.gz YKWQXJKZTQYTNT-FGWVZKOKSA-N -1 1 306.362 3.723 20 0 DHADMM CCC[C@H](CC)S(=O)(=O)[N-]c1cc(Cl)ccc1OC ZINC000581922724 1015553617 /nfs/dbraw/zinc/55/36/17/1015553617.db2.gz RVOWSTHEGUIPHG-NSHDSACASA-N -1 1 305.827 3.669 20 0 DHADMM Cc1[nH]ncc1C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000179320983 1015665052 /nfs/dbraw/zinc/66/50/52/1015665052.db2.gz HIOWNUATHVBUQK-UHFFFAOYSA-N -1 1 320.563 3.636 20 0 DHADMM CN(C/C=C\c1ccc(Cl)cc1)Cc1ccc(C(=O)[O-])cn1 ZINC001598469087 991996471 /nfs/dbraw/zinc/99/64/71/991996471.db2.gz WXGJMQUTYHBJLH-IHWYPQMZSA-N -1 1 316.788 3.578 20 0 DHADMM COc1cccc(SC)c1[N-]C(=O)c1cnc(C2CC2)o1 ZINC000891851947 1015683856 /nfs/dbraw/zinc/68/38/56/1015683856.db2.gz LBTSYSWRJJKVGY-UHFFFAOYSA-N -1 1 304.371 3.535 20 0 DHADMM CC(C)C[N@@H+](Cc1cc(O)cc(Cl)c1)CC(C)(C)C(=O)[O-] ZINC001591342753 992321323 /nfs/dbraw/zinc/32/13/23/992321323.db2.gz IWEOEOHCVIZKHJ-UHFFFAOYSA-N -1 1 313.825 3.614 20 0 DHADMM CN(Cc1csc(C(=O)[O-])c1)Cc1ccc(Cl)c(F)c1 ZINC001598536347 992844057 /nfs/dbraw/zinc/84/40/57/992844057.db2.gz RONRXFPOKQYHSM-UHFFFAOYSA-N -1 1 313.781 3.871 20 0 DHADMM CC[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001211889451 1015800082 /nfs/dbraw/zinc/80/00/82/1015800082.db2.gz BYSRGFIYRGKSOW-MNOVXSKESA-N -1 1 319.829 3.584 20 0 DHADMM C[C@H](NCc1ccc(C2CC2)cc1F)c1cncc(C(=O)[O-])c1 ZINC001593295395 994691158 /nfs/dbraw/zinc/69/11/58/994691158.db2.gz DTAJXDBEBZDFMB-NSHDSACASA-N -1 1 314.360 3.647 20 0 DHADMM C[C@H](N[C@@H]1[C@@H](c2ccccc2)C1(C)C)c1ncc(C(=O)[O-])s1 ZINC001593354394 994989999 /nfs/dbraw/zinc/98/99/99/994989999.db2.gz OTJXIVKRGUBMSQ-ZLKJLUDKSA-N -1 1 316.426 3.684 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cncc(C(F)(F)F)c1 ZINC000342072290 1015913073 /nfs/dbraw/zinc/91/30/73/1015913073.db2.gz 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1016205015 /nfs/dbraw/zinc/20/50/15/1016205015.db2.gz KRKULVGTDFHFFR-UHFFFAOYSA-N -1 1 319.773 3.750 20 0 DHADMM Cc1ccsc1CN[C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000277395246 1016276090 /nfs/dbraw/zinc/27/60/90/1016276090.db2.gz ROBIVWOZRWHYFU-ZDUSSCGKSA-N -1 1 311.353 3.640 20 0 DHADMM Cc1nc(-c2ccc(N[C@@H]3C[C@@]3(C)C(C)C)nc2)[n-]c(=O)c1C ZINC000413436383 1016288858 /nfs/dbraw/zinc/28/88/58/1016288858.db2.gz NDQFQHDQOZQEJV-KDOFPFPSSA-N -1 1 312.417 3.708 20 0 DHADMM C[C@H]1CCN(Cc2ccc(F)c(Cl)c2Cl)[C@H](C(=O)[O-])C1 ZINC001594423767 999583520 /nfs/dbraw/zinc/58/35/20/999583520.db2.gz GXQAKGOJBFFDTG-KWQFWETISA-N -1 1 320.191 3.818 20 0 DHADMM O=C(N[C@H]1C[C@H](c2cccc(Cl)c2)C1)c1ccc([O-])c(F)c1 ZINC000684780227 1016456525 /nfs/dbraw/zinc/45/65/25/1016456525.db2.gz JVBOKZRFORAXKQ-MQMHXKEQSA-N -1 1 319.763 3.861 20 0 DHADMM Cc1oc(C[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)cc1C(=O)[O-] ZINC000563282130 1016499112 /nfs/dbraw/zinc/49/91/12/1016499112.db2.gz FPDBXCRTYMKOHE-ZBTGYSDGSA-N -1 1 311.381 3.964 20 0 DHADMM O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000336864415 1016726864 /nfs/dbraw/zinc/72/68/64/1016726864.db2.gz NSHNCWCSIMTXKR-OAHLLOKOSA-N -1 1 314.385 3.561 20 0 DHADMM Cc1ccc(CN(C)C(=O)c2ccc(C(F)(F)F)c([O-])c2)cc1 ZINC000684870058 1016744858 /nfs/dbraw/zinc/74/48/58/1016744858.db2.gz JMNYQPQEVBNFDP-UHFFFAOYSA-N -1 1 323.314 3.992 20 0 DHADMM C[C@@]1(C(=O)[O-])CCCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000062876569 1016746472 /nfs/dbraw/zinc/74/64/72/1016746472.db2.gz HUBCIMSKXCNHAD-CQSZACIVSA-N -1 1 302.201 3.680 20 0 DHADMM C[C@]1(C(=O)[O-])CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000062875710 1016746756 /nfs/dbraw/zinc/74/67/56/1016746756.db2.gz HYZKUWKYPFHCLP-AWEZNQCLSA-N -1 1 302.201 3.680 20 0 DHADMM C[C@H]1CCC[C@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000684870567 1016750231 /nfs/dbraw/zinc/75/02/31/1016750231.db2.gz JAMBZRDXDIOEOC-ONGXEEELSA-N -1 1 301.308 3.720 20 0 DHADMM CC[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000684871235 1016752596 /nfs/dbraw/zinc/75/25/96/1016752596.db2.gz CEDJSFSNDZCLMM-JTQLQIEISA-N -1 1 301.308 3.673 20 0 DHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCC[C@H]2CCC[C@@H]21 ZINC000684876302 1016769534 /nfs/dbraw/zinc/76/95/34/1016769534.db2.gz SIPWYUOSGWAURB-MFKMUULPSA-N -1 1 313.319 3.816 20 0 DHADMM CC[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])[C@@H](CC)CO1 ZINC000403811447 1017058514 /nfs/dbraw/zinc/05/85/14/1017058514.db2.gz HKQLRIANIKCCJO-LSDHHAIUSA-N -1 1 313.397 3.575 20 0 DHADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H](CC2CC2)c2ccccc2)c1 ZINC001147040267 1032269234 /nfs/dbraw/zinc/26/92/34/1032269234.db2.gz SZSKPPJGYPVJDG-SFHVURJKSA-N -1 1 323.392 3.784 20 0 DHADMM Cc1ccccc1C[C@H]1CCCN1C(=O)c1cccc([O-])c1F ZINC001147074249 1032276256 /nfs/dbraw/zinc/27/62/56/1032276256.db2.gz PGJXNWKUMAIROA-OAHLLOKOSA-N -1 1 313.372 3.687 20 0 DHADMM CCCN(C(=O)c1ccc(F)c([O-])c1)[C@H]1C[C@H](OCC)C1(C)C ZINC001147225973 1032292990 /nfs/dbraw/zinc/29/29/90/1032292990.db2.gz CFTGZGCACHEYAA-HOTGVXAUSA-N -1 1 323.408 3.587 20 0 DHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)c1cscn1 ZINC001148252119 1032378014 /nfs/dbraw/zinc/37/80/14/1032378014.db2.gz HEWIQALUUSFONM-UHFFFAOYSA-N -1 1 304.758 3.908 20 0 DHADMM CCn1cc(NC(=O)c2cccc(-c3ccccc3)c2[O-])cn1 ZINC001148861132 1032449944 /nfs/dbraw/zinc/44/99/44/1032449944.db2.gz MSAYWBLMIZOWBQ-UHFFFAOYSA-N -1 1 307.353 3.528 20 0 DHADMM CCc1ccc(C(C)(C)NC(=O)c2cc(F)ccc2[O-])cc1 ZINC001149020560 1032458804 /nfs/dbraw/zinc/45/88/04/1032458804.db2.gz WAGXRMWOZXEREF-UHFFFAOYSA-N -1 1 301.361 3.759 20 0 DHADMM [O-]c1ccc(-c2noc(-c3ncoc3C3CC3)n2)c(Cl)c1 ZINC000350566223 1017298570 /nfs/dbraw/zinc/29/85/70/1017298570.db2.gz LWYDPPDXFLZGKR-UHFFFAOYSA-N -1 1 303.705 3.628 20 0 DHADMM CC(C)Oc1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)ccn1 ZINC000683080426 1011936135 /nfs/dbraw/zinc/93/61/35/1011936135.db2.gz DFXABJZVMUXXOR-UHFFFAOYSA-N -1 1 321.764 3.872 20 0 DHADMM O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)c1ccc([O-])c(F)c1 ZINC000683138239 1012085482 /nfs/dbraw/zinc/08/54/82/1012085482.db2.gz JUSZPBJPYXZFGS-GDBMZVCRSA-N -1 1 313.372 3.988 20 0 DHADMM COc1ccc(-c2nc(Cc3ccc(Cl)cc3)no2)c([O-])c1 ZINC000109036963 1012404133 /nfs/dbraw/zinc/40/41/33/1012404133.db2.gz LLIWWOCLNWYYNQ-UHFFFAOYSA-N -1 1 316.744 3.695 20 0 DHADMM COc1ccc(F)cc1Cc1nc(=O)c2c(C)sc(C)c2[n-]1 ZINC000887319349 1032628657 /nfs/dbraw/zinc/62/86/57/1032628657.db2.gz RSKWBXYGHNZLSU-UHFFFAOYSA-N -1 1 318.373 3.752 20 0 DHADMM O=C([N-]c1ccnc(F)c1F)c1coc(C2CCCCC2)n1 ZINC000857696881 1032661406 /nfs/dbraw/zinc/66/14/06/1032661406.db2.gz JGFPMUALRNCNDR-UHFFFAOYSA-N -1 1 307.300 3.648 20 0 DHADMM O=C1c2ccc([O-])cc2O/C1=C/c1csc(Br)c1 ZINC000048439010 1012865800 /nfs/dbraw/zinc/86/58/00/1012865800.db2.gz OFAXFXYPWISESN-QDEBKDIKSA-N -1 1 323.167 3.832 20 0 DHADMM CCOc1cc(-c2noc(-c3cccnc3)n2)cc(Cl)c1[O-] ZINC000350774071 1017325564 /nfs/dbraw/zinc/32/55/64/1017325564.db2.gz MPUISGBFZICOTQ-UHFFFAOYSA-N -1 1 317.732 3.556 20 0 DHADMM C[C@H]1C[C@@H]1c1ccc(CNC(=O)c2ccc(Cl)cc2[O-])o1 ZINC000614755037 1017394469 /nfs/dbraw/zinc/39/44/69/1017394469.db2.gz UNBXWVVUPHJNBL-ZANVPECISA-N -1 1 305.761 3.692 20 0 DHADMM CC(C)c1nsc([N-]C(=O)c2conc2C2CCCC2)n1 ZINC000874693026 1032705848 /nfs/dbraw/zinc/70/58/48/1032705848.db2.gz MSRYRVRFONFDHL-UHFFFAOYSA-N -1 1 306.391 3.559 20 0 DHADMM O=C([N-]c1cnoc1)c1csc(-c2ccc(Cl)s2)n1 ZINC000623938840 1017593959 /nfs/dbraw/zinc/59/39/59/1017593959.db2.gz LHYSFGNEQDFMEC-UHFFFAOYSA-N -1 1 311.775 3.765 20 0 DHADMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000171013519 1017812562 /nfs/dbraw/zinc/81/25/62/1017812562.db2.gz CHCMHBNNLFHQIC-GFCCVEGCSA-N -1 1 323.389 3.642 20 0 DHADMM Cc1ccc(/C=C/c2nc(-c3ccc([O-])cc3Cl)no2)nc1 ZINC000445450397 1017855515 /nfs/dbraw/zinc/85/55/15/1017855515.db2.gz SJUNHGABYCZETD-QPJJXVBHSA-N -1 1 313.744 3.969 20 0 DHADMM CCc1onc(C)c1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445449431 1017856194 /nfs/dbraw/zinc/85/61/94/1017856194.db2.gz OTJKBPKEWQOPDZ-UHFFFAOYSA-N -1 1 305.721 3.621 20 0 DHADMM Cc1ccc(O)c(-c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445448213 1017857269 /nfs/dbraw/zinc/85/72/69/1017857269.db2.gz VGCCULKSRYIKKI-UHFFFAOYSA-N -1 1 302.717 3.777 20 0 DHADMM C[C@H](Oc1ccccc1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445483866 1017876713 /nfs/dbraw/zinc/87/67/13/1017876713.db2.gz XDDFYLPRROCURO-JTQLQIEISA-N -1 1 300.289 3.721 20 0 DHADMM CC[C@H](C)c1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)on1 ZINC000445481538 1017876819 /nfs/dbraw/zinc/87/68/19/1017876819.db2.gz LOCZQLBFXXCZOF-QMMMGPOBSA-N -1 1 303.293 3.750 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3c(F)cccc3Cl)n2)cc1F ZINC000445476872 1017883586 /nfs/dbraw/zinc/88/35/86/1017883586.db2.gz JFCHJECKEYHJSF-UHFFFAOYSA-N -1 1 322.698 3.965 20 0 DHADMM CCO[C@H](C)c1ncc(C(=O)[N-]c2cnccc2SC)s1 ZINC000674256641 1017902179 /nfs/dbraw/zinc/90/21/79/1017902179.db2.gz MXUWLFDQHJFWEX-SECBINFHSA-N -1 1 323.443 3.610 20 0 DHADMM CSCc1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000184030569 1018055571 /nfs/dbraw/zinc/05/55/71/1018055571.db2.gz QNHPQZFQWKQZEM-UHFFFAOYSA-N -1 1 307.440 3.659 20 0 DHADMM COc1cc(C(=O)N2C[C@@H](C)CCC[C@@H]2C)cc(Cl)c1[O-] ZINC000153886682 1018061823 /nfs/dbraw/zinc/06/18/23/1018061823.db2.gz ZFYGEVIQTDDLJP-QWRGUYRKSA-N -1 1 311.809 3.705 20 0 DHADMM Cn1cc(CCC(=O)Nc2c([O-])cccc2F)c2ccccc21 ZINC000674850716 1018160720 /nfs/dbraw/zinc/16/07/20/1018160720.db2.gz KFDZFBBRWXOFRO-UHFFFAOYSA-N -1 1 312.344 3.594 20 0 DHADMM Cc1ccccc1C[C@@H](C)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000446978229 1018307980 /nfs/dbraw/zinc/30/79/80/1018307980.db2.gz VWFKNVBGQHUMML-CYBMUJFWSA-N -1 1 301.361 3.543 20 0 DHADMM CC(=O)c1c(C)[nH]c(C(=O)Nc2c([O-])cccc2F)c1C(C)C ZINC000092551595 1018347139 /nfs/dbraw/zinc/34/71/39/1018347139.db2.gz YNLROMZTFGBBGZ-UHFFFAOYSA-N -1 1 318.348 3.746 20 0 DHADMM O=C([N-]Oc1ccccc1F)C1CCC(C(F)(F)F)CC1 ZINC000874909715 1032759502 /nfs/dbraw/zinc/75/95/02/1032759502.db2.gz HHTNWROHOKMOJM-UHFFFAOYSA-N -1 1 305.271 3.604 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CCC(F)(c2ccccc2)CC1 ZINC000447615523 1018439085 /nfs/dbraw/zinc/43/90/85/1018439085.db2.gz RFQWAEXSCLTELK-UHFFFAOYSA-N -1 1 317.335 3.632 20 0 DHADMM Cc1n[nH]c(C)c1[C@H](C)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278283649 1018512404 /nfs/dbraw/zinc/51/24/04/1018512404.db2.gz WJTHBDWEUOLLKY-ZETCQYMHSA-N -1 1 318.764 3.587 20 0 DHADMM Cc1cc(OCC(=O)Nc2c([O-])cccc2F)cc(C)c1Cl ZINC000676051369 1018648877 /nfs/dbraw/zinc/64/88/77/1018648877.db2.gz WFXMBMXPCJLMPF-UHFFFAOYSA-N -1 1 323.751 3.819 20 0 DHADMM CCOc1cc(C(=O)NCC[C@@H]2CC=CCC2)cc(Cl)c1[O-] ZINC001171558261 1032777969 /nfs/dbraw/zinc/77/79/69/1032777969.db2.gz ZHJJKOXOZOGCSX-GFCCVEGCSA-N -1 1 323.820 3.921 20 0 DHADMM O=C(NCC[C@@H]1CC=CCC1)c1ccc2ccc(O)cc2c1[O-] ZINC001171557093 1032778190 /nfs/dbraw/zinc/77/81/90/1032778190.db2.gz MDDVGEVZMQXQGL-CYBMUJFWSA-N -1 1 311.381 3.727 20 0 DHADMM COc1ccc(F)cc1[C@@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000765441701 1018792535 /nfs/dbraw/zinc/79/25/35/1018792535.db2.gz UWONUKZODILXAS-SECBINFHSA-N -1 1 323.751 3.684 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1cc(-c2ccccc2)ns1 ZINC000676698324 1018802575 /nfs/dbraw/zinc/80/25/75/1018802575.db2.gz UMADXFPRALMBFA-UHFFFAOYSA-N -1 1 314.341 3.907 20 0 DHADMM COc1ccccc1CCNC(=O)c1cc2ccccc2cc1[O-] ZINC000017845436 1018929285 /nfs/dbraw/zinc/92/92/85/1018929285.db2.gz GXQVPFNGSZZGMK-UHFFFAOYSA-N -1 1 321.376 3.527 20 0 DHADMM [O-]c1c(F)cc(Nc2ccnn2Cc2cccnc2)cc1Cl ZINC001214480151 1018950391 /nfs/dbraw/zinc/95/03/91/1018950391.db2.gz MLDUPSMNENVUPX-UHFFFAOYSA-N -1 1 318.739 3.568 20 0 DHADMM Cc1cc(C(=O)Nc2cccc(F)c2[O-])c2ccc(F)cc2n1 ZINC001171632447 1032796798 /nfs/dbraw/zinc/79/67/98/1032796798.db2.gz ATRWMVOGGXXCDK-UHFFFAOYSA-N -1 1 314.291 3.779 20 0 DHADMM O=S(=O)([N-]c1cccc(F)c1)c1cc(Cl)cc(Cl)c1 ZINC000007402306 1019026203 /nfs/dbraw/zinc/02/62/03/1019026203.db2.gz IRDTURLBWSQWRG-UHFFFAOYSA-N -1 1 320.172 3.933 20 0 DHADMM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000111666451 1019048930 /nfs/dbraw/zinc/04/89/30/1019048930.db2.gz UBNNLELUURWKMY-UONOGXRCSA-N -1 1 317.772 3.796 20 0 DHADMM CCCc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000016126976 1019128059 /nfs/dbraw/zinc/12/80/59/1019128059.db2.gz BTYFRDRBINGAPL-UHFFFAOYSA-N -1 1 311.353 3.718 20 0 DHADMM CCC(CC)c1nnc([N-]C(=O)c2c(F)cccc2F)s1 ZINC000028879866 1019162834 /nfs/dbraw/zinc/16/28/34/1019162834.db2.gz URJRWQCSBKBJJN-UHFFFAOYSA-N -1 1 311.357 3.972 20 0 DHADMM CCc1cc(=O)[n-]c(SCCCOc2ccc(Cl)cc2)n1 ZINC000041626180 1019272914 /nfs/dbraw/zinc/27/29/14/1019272914.db2.gz VGSYBDFNOHNYNH-UHFFFAOYSA-N -1 1 324.833 3.547 20 0 DHADMM COc1cccc(CN(C)C(=O)c2cc3ccccc3cc2[O-])c1 ZINC000045330452 1019409235 /nfs/dbraw/zinc/40/92/35/1019409235.db2.gz HRWCSQOXSIMNLM-UHFFFAOYSA-N -1 1 321.376 3.826 20 0 DHADMM CCSc1ccccc1CC(=O)Nc1cccc(F)c1[O-] ZINC001171638569 1032834465 /nfs/dbraw/zinc/83/44/65/1032834465.db2.gz YYNOWGFKWAXKHS-UHFFFAOYSA-N -1 1 305.374 3.825 20 0 DHADMM O=C1c2cccc(F)c2OC/C1=C/c1ccc([O-])c(Cl)c1 ZINC000214123361 1019534505 /nfs/dbraw/zinc/53/45/05/1019534505.db2.gz HKFAQXAVWRBOJE-POHAHGRESA-N -1 1 304.704 3.843 20 0 DHADMM Cc1nc(-c2cccc(-c3nc4cccnc4c(=O)[n-]3)c2)cs1 ZINC000491571551 1019535249 /nfs/dbraw/zinc/53/52/49/1019535249.db2.gz FOHHYYGTZDDMMP-UHFFFAOYSA-N -1 1 320.377 3.829 20 0 DHADMM COc1c(F)ccc(Nc2cc3ccc([O-])cc3oc2=O)c1F ZINC001212496277 1019536560 /nfs/dbraw/zinc/53/65/60/1019536560.db2.gz BUNBOWMFVPACHX-UHFFFAOYSA-N -1 1 319.263 3.529 20 0 DHADMM CCOc1cc(-c2noc(CCC(F)F)n2)cc(Cl)c1[O-] ZINC000685363835 1019772573 /nfs/dbraw/zinc/77/25/73/1019772573.db2.gz HCFUJKASXNUWOT-UHFFFAOYSA-N -1 1 318.707 3.692 20 0 DHADMM O=C(c1c(F)ccc([O-])c1F)N1CCC(C2CCCC2)CC1 ZINC000685441259 1019821473 /nfs/dbraw/zinc/82/14/73/1019821473.db2.gz MJFPWKLMYNTKBI-UHFFFAOYSA-N -1 1 309.356 3.713 20 0 DHADMM CC1(C)CN(C(=O)c2c(F)ccc([O-])c2F)c2ccccc21 ZINC000685447674 1019833560 /nfs/dbraw/zinc/83/35/60/1019833560.db2.gz PDISJEQKWSUNPH-UHFFFAOYSA-N -1 1 303.308 3.608 20 0 DHADMM O=C([N-]c1nncs1)c1csc(-c2ccccc2Cl)n1 ZINC000066280121 1019943594 /nfs/dbraw/zinc/94/35/94/1019943594.db2.gz AZWCZMXZGFVLIN-UHFFFAOYSA-N -1 1 322.802 3.567 20 0 DHADMM C[C@H]1CC(C)(C)CN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000666022060 1020347028 /nfs/dbraw/zinc/34/70/28/1020347028.db2.gz JXVRXAKQOOMBCT-VIFPVBQESA-N -1 1 301.308 3.672 20 0 DHADMM C[C@@]1(CCc2ccccc2)CCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858439789 1032894509 /nfs/dbraw/zinc/89/45/09/1032894509.db2.gz HRSVSKAGHHGNSA-QGZVFWFLSA-N -1 1 317.820 3.685 20 0 DHADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2SC)c(C)c1 ZINC000055556648 1020451178 /nfs/dbraw/zinc/45/11/78/1020451178.db2.gz HXEHAXPVFVGEBH-UHFFFAOYSA-N -1 1 323.439 3.526 20 0 DHADMM O=C(Nc1ncc(Cl)s1)c1ccc2ccccc2c1[O-] ZINC000673938973 1020562128 /nfs/dbraw/zinc/56/21/28/1020562128.db2.gz XFPCDBQKKPDAKF-UHFFFAOYSA-N -1 1 304.758 3.908 20 0 DHADMM O=C(Nc1ccc(OC(F)F)c(F)c1)c1ccc(F)c([O-])c1 ZINC001626092894 1020624415 /nfs/dbraw/zinc/62/44/15/1020624415.db2.gz OUUWRHZCGOTRJJ-UHFFFAOYSA-N -1 1 315.222 3.524 20 0 DHADMM Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000235822835 1020698995 /nfs/dbraw/zinc/69/89/95/1020698995.db2.gz NVZKFIGGBLWVDJ-UHFFFAOYSA-N -1 1 323.226 3.559 20 0 DHADMM O=c1nc(N[C@H]2CC[C@@H](Cc3ccccc3)C2)cc(Cl)[n-]1 ZINC000858505131 1032927446 /nfs/dbraw/zinc/92/74/46/1032927446.db2.gz FVEIROXXKNMKFT-STQMWFEESA-N -1 1 303.793 3.659 20 0 DHADMM COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000613029016 1020782112 /nfs/dbraw/zinc/78/21/12/1020782112.db2.gz WLDCGJFNYGSGGS-WFASDCNBSA-N -1 1 315.344 3.672 20 0 DHADMM CSc1ccc([O-])c(C(=O)Nc2scnc2C2CC2)c1 ZINC000613124616 1020818380 /nfs/dbraw/zinc/81/83/80/1020818380.db2.gz WQBRBDNGJVQVHS-UHFFFAOYSA-N -1 1 306.412 3.700 20 0 DHADMM CC(C)c1ccsc1C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000066639953 1021000431 /nfs/dbraw/zinc/00/04/31/1021000431.db2.gz HYPQZTFDTCMGAM-UHFFFAOYSA-N -1 1 324.475 3.636 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CCS[C@@H]2CCCC[C@@H]21 ZINC000175500305 1021050039 /nfs/dbraw/zinc/05/00/39/1021050039.db2.gz QNBHLJLVJMAOLB-GXTWGEPZSA-N -1 1 311.834 3.546 20 0 DHADMM O=C([O-])c1cc(Cl)ccc1CN1CCc2ccccc2C1 ZINC000258119702 1032954982 /nfs/dbraw/zinc/95/49/82/1032954982.db2.gz MJIAEOXTAWFHRB-UHFFFAOYSA-N -1 1 301.773 3.597 20 0 DHADMM CCOc1cc(C(=O)N(C2CC2)C2CCCC2)cc(Cl)c1[O-] ZINC000186780749 1021139004 /nfs/dbraw/zinc/13/90/04/1021139004.db2.gz IGIRTARADBOIEZ-UHFFFAOYSA-N -1 1 323.820 3.992 20 0 DHADMM COc1cccc(NC(=O)Nc2cc([O-])c(Cl)cc2F)c1 ZINC001202276315 1021198711 /nfs/dbraw/zinc/19/87/11/1021198711.db2.gz PZHMFCJIFXFQSS-UHFFFAOYSA-N -1 1 310.712 3.837 20 0 DHADMM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1cc(F)cc(F)c1 ZINC000670372488 1021244740 /nfs/dbraw/zinc/24/47/40/1021244740.db2.gz LNQYRUKYXGMKMW-UHFFFAOYSA-N -1 1 317.744 3.560 20 0 DHADMM CC[C@@H](C)[C@H]([N-]C(=O)C(F)(F)c1ncccc1C)C(F)(F)F ZINC000278806451 1021251542 /nfs/dbraw/zinc/25/15/42/1021251542.db2.gz OANUMHCLVCZECW-KCJUWKMLSA-N -1 1 324.293 3.575 20 0 DHADMM CCc1ccc(C(=O)Nc2cc3cc(OC)ccc3[nH]2)c([O-])c1 ZINC000647618834 1021253977 /nfs/dbraw/zinc/25/39/77/1021253977.db2.gz VRXLBSMEDISQIY-UHFFFAOYSA-N -1 1 310.353 3.697 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1ccc2nc(Cl)ccc2c1 ZINC000743415725 1021289627 /nfs/dbraw/zinc/28/96/27/1021289627.db2.gz KAUIDBPNOGCAHZ-UHFFFAOYSA-N -1 1 316.719 3.985 20 0 DHADMM CCO[C@@H]1C[C@H](NC(=O)c2c([O-])cccc2Cl)C12CCCC2 ZINC000743790627 1021365031 /nfs/dbraw/zinc/36/50/31/1021365031.db2.gz CXABWFOBBMIJOF-UONOGXRCSA-N -1 1 323.820 3.513 20 0 DHADMM COc1ccc(O)cc1C(=O)/C=C/c1ccc([O-])c(Cl)c1 ZINC000182282585 1021580089 /nfs/dbraw/zinc/58/00/89/1021580089.db2.gz ZNTUQZJSIIRRNL-GORDUTHDSA-N -1 1 304.729 3.656 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C[C@@H]2CCC[C@H](C)C2)c1 ZINC000744911095 1021623104 /nfs/dbraw/zinc/62/31/04/1021623104.db2.gz QJHCQJTYEMBJSQ-DZGCQCFKSA-N -1 1 318.413 3.897 20 0 DHADMM Cc1cc([N-]S(=O)(=O)c2ccccc2Cl)ccc1N(C)C ZINC000109425073 1021627068 /nfs/dbraw/zinc/62/70/68/1021627068.db2.gz BAQOXRCUWCFSBN-UHFFFAOYSA-N -1 1 324.833 3.515 20 0 DHADMM Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])ccc1O ZINC000776490535 1021651749 /nfs/dbraw/zinc/65/17/49/1021651749.db2.gz KNUFIXRPQASZAW-UHFFFAOYSA-N -1 1 311.259 3.677 20 0 DHADMM CCOc1cccc([C@H](C)NC(=O)c2c([O-])cccc2Cl)c1 ZINC000745189094 1021676788 /nfs/dbraw/zinc/67/67/88/1021676788.db2.gz HUBFFYJZOZWTNZ-NSHDSACASA-N -1 1 319.788 3.935 20 0 DHADMM O=C(NCc1ccc(Cl)o1)c1cc2ccccc2cc1[O-] ZINC000644517292 1021751638 /nfs/dbraw/zinc/75/16/38/1021751638.db2.gz QAZCDLQTDOFDAW-UHFFFAOYSA-N -1 1 301.729 3.722 20 0 DHADMM O=C(Nc1cccc(C2SCCS2)c1)c1cncc([O-])c1 ZINC000109934168 1021849767 /nfs/dbraw/zinc/84/97/67/1021849767.db2.gz DZHXCOKGXVFBOM-UHFFFAOYSA-N -1 1 318.423 3.518 20 0 DHADMM Cc1ccc2c(c1)S[C@H](C(=O)Nc1cc([O-])c(F)cc1F)C2 ZINC001625893056 1021946558 /nfs/dbraw/zinc/94/65/58/1021946558.db2.gz FBESHURJKCWSDG-HNNXBMFYSA-N -1 1 321.348 3.634 20 0 DHADMM CCOc1cc(C(=O)N[C@H](C(C)C)C2CC2)cc(Cl)c1[O-] ZINC000620033535 1022019050 /nfs/dbraw/zinc/01/90/50/1022019050.db2.gz KMNCNKSXAWTKGT-CQSZACIVSA-N -1 1 311.809 3.609 20 0 DHADMM C[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)c1nc(C(C)(C)C)no1 ZINC000195082854 1022039327 /nfs/dbraw/zinc/03/93/27/1022039327.db2.gz USGLVXYOZKMHJK-MRVPVSSYSA-N -1 1 320.418 3.593 20 0 DHADMM C/C(=C\c1ccc(F)cc1)C(=O)Nc1cc([O-])c(F)cc1F ZINC001625894415 1022053940 /nfs/dbraw/zinc/05/39/40/1022053940.db2.gz WZLTXXPUOXSKRO-RMKNXTFCSA-N -1 1 307.271 3.852 20 0 DHADMM Cc1ccc(SCCNC(=O)c2c([O-])cccc2Cl)cc1 ZINC000920431409 1022124983 /nfs/dbraw/zinc/12/49/83/1022124983.db2.gz YVNWBHBAHSHPCH-UHFFFAOYSA-N -1 1 321.829 3.876 20 0 DHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N(CC1CC1)CC1CC1 ZINC000620426420 1022148549 /nfs/dbraw/zinc/14/85/49/1022148549.db2.gz NKKUDERFJKHPFJ-UHFFFAOYSA-N -1 1 313.319 3.673 20 0 DHADMM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Br)ccc1[O-] ZINC000620434438 1022151131 /nfs/dbraw/zinc/15/11/31/1022151131.db2.gz VDARCQSTOBCEIT-CLYYMRHHSA-N -1 1 324.218 3.558 20 0 DHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2)c1Cl ZINC000181133362 1022192201 /nfs/dbraw/zinc/19/22/01/1022192201.db2.gz ZPRLJCZRFOBVQQ-UHFFFAOYSA-N -1 1 324.833 3.515 20 0 DHADMM O=C(Nc1ccc(OCc2cccnc2)cc1)c1ccccc1[O-] ZINC000103047891 1022235522 /nfs/dbraw/zinc/23/55/22/1022235522.db2.gz HPDJYNDOOUUBKT-UHFFFAOYSA-N -1 1 320.348 3.619 20 0 DHADMM CCOc1cc(C(=O)N2C[C@H](C)[C@@H](C)[C@H]2C)cc(Cl)c1[O-] ZINC000416319425 1022255477 /nfs/dbraw/zinc/25/54/77/1022255477.db2.gz NAHCWWUSWOTXNC-HBNTYKKESA-N -1 1 311.809 3.561 20 0 DHADMM O=C1Nc2cc(Cl)ccc2/C1=C\c1cc(F)c([O-])c(F)c1 ZINC000175315886 1022341856 /nfs/dbraw/zinc/34/18/56/1022341856.db2.gz AGJMVRXCVBLYJG-XCVCLJGOSA-N -1 1 307.683 3.817 20 0 DHADMM CCS(=O)(=O)[N-]c1cc(-c2cc(F)ccc2C)ccc1OC ZINC000854203082 1022427788 /nfs/dbraw/zinc/42/77/88/1022427788.db2.gz PGWRBEQIZAXVQU-UHFFFAOYSA-N -1 1 323.389 3.571 20 0 DHADMM CCn1c(C)cc(C(=O)Nc2cc(F)c([O-])cc2Cl)c1C ZINC000885674202 1022434047 /nfs/dbraw/zinc/43/40/47/1022434047.db2.gz KFBCAKGEPQZNLV-UHFFFAOYSA-N -1 1 310.756 3.875 20 0 DHADMM CC1(C)CN(C(=O)c2ncc3ccccc3c2[O-])[C@@H]2CCC[C@H]21 ZINC000615389590 1022464429 /nfs/dbraw/zinc/46/44/29/1022464429.db2.gz JKNZZWUFFYCNND-HUUCEWRRSA-N -1 1 310.397 3.591 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1noc2c1CCCCC2 ZINC000885678928 1022466552 /nfs/dbraw/zinc/46/65/52/1022466552.db2.gz YABOPCONOYCUMJ-UHFFFAOYSA-N -1 1 324.739 3.694 20 0 DHADMM O=C(NC1(c2c(F)cccc2F)CCC1)c1cc(F)ccc1[O-] ZINC001169963922 1022604230 /nfs/dbraw/zinc/60/42/30/1022604230.db2.gz POFIRBXPIKYOOU-UHFFFAOYSA-N -1 1 321.298 3.619 20 0 DHADMM COc1cc(NCc2cccc([O-])c2Cl)cc(OC)c1OC ZINC000293658423 1022783771 /nfs/dbraw/zinc/78/37/71/1022783771.db2.gz SZQILNPAAQXWGL-UHFFFAOYSA-N -1 1 323.776 3.684 20 0 DHADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000768117283 1022884213 /nfs/dbraw/zinc/88/42/13/1022884213.db2.gz PJXOZEGRTDFWDQ-HNNXBMFYSA-N -1 1 321.298 3.787 20 0 DHADMM O=C(c1ccc([O-])c(F)c1)N1CCC(c2cccc(F)c2)CC1 ZINC000768221633 1022927241 /nfs/dbraw/zinc/92/72/41/1022927241.db2.gz SENPOKRISZZAFV-UHFFFAOYSA-N -1 1 317.335 3.690 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N1CCc2c(F)cc(F)cc2C1 ZINC000768291307 1022940767 /nfs/dbraw/zinc/94/07/67/1022940767.db2.gz LETRODZYQHMYIV-UHFFFAOYSA-N -1 1 323.726 3.522 20 0 DHADMM CCC(C)(C)[C@@H](C)NC(=O)c1ccc(Br)c([O-])c1 ZINC000617570368 1022997049 /nfs/dbraw/zinc/99/70/49/1022997049.db2.gz PHRNQWAYNODYBP-SECBINFHSA-N -1 1 314.223 3.709 20 0 DHADMM CC(C)c1ccc(-c2noc(-c3n[n-]nc3C(F)(F)F)n2)cc1 ZINC001212653013 1033102336 /nfs/dbraw/zinc/10/23/36/1033102336.db2.gz SRXBKTAKQAXQHJ-UHFFFAOYSA-N -1 1 323.278 3.664 20 0 DHADMM C[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001626288728 1023206901 /nfs/dbraw/zinc/20/69/01/1023206901.db2.gz KDGUMWGAXPZFOK-TZMCWYRMSA-N -1 1 313.397 3.807 20 0 DHADMM Cc1nc(C)c([C@H](C)N(C)C(=O)c2c([O-])cccc2Cl)s1 ZINC000769783619 1023212044 /nfs/dbraw/zinc/21/20/44/1023212044.db2.gz YWHWGOGOLGIWLG-VIFPVBQESA-N -1 1 324.833 3.952 20 0 DHADMM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2c([O-])cccc2Cl)s1 ZINC000769783615 1023212760 /nfs/dbraw/zinc/21/27/60/1023212760.db2.gz YWHWGOGOLGIWLG-SECBINFHSA-N -1 1 324.833 3.952 20 0 DHADMM C[C@H]1CN(C(=O)c2c([O-])cccc2Cl)[C@@H]1c1ccccc1 ZINC000769922847 1023248153 /nfs/dbraw/zinc/24/81/53/1023248153.db2.gz MOANIGKYSLGIOB-ZBEGNZNMSA-N -1 1 301.773 3.879 20 0 DHADMM O=C(OCc1ccc2ncccc2c1)c1c([O-])cc(F)cc1F ZINC000770358723 1023304311 /nfs/dbraw/zinc/30/43/11/1023304311.db2.gz ARDRLRJNOWWWCX-UHFFFAOYSA-N -1 1 315.275 3.576 20 0 DHADMM Cc1nc(S[C@H](C)c2nc3ccccc3o2)[n-]c(=O)c1C ZINC000538657699 1033128493 /nfs/dbraw/zinc/12/84/93/1033128493.db2.gz SKPJPVIBAMWWOY-SNVBAGLBSA-N -1 1 301.371 3.794 20 0 DHADMM O=S(=O)([N-]c1cc(Cl)ccc1F)c1ccc(F)cc1F ZINC000007403677 1023419173 /nfs/dbraw/zinc/41/91/73/1023419173.db2.gz GPNQVFUUWZHGAZ-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM CCCc1cc(=O)[n-]c(SC[C@H](O)c2ccc(Cl)cc2)n1 ZINC000771571389 1023451545 /nfs/dbraw/zinc/45/15/45/1023451545.db2.gz VHGXVMFXSNEHGC-ZDUSSCGKSA-N -1 1 324.833 3.614 20 0 DHADMM CC12CC3(C)CC(C)(C1)CC(C(=O)[N-]O[C@@H]1CCCCO1)(C2)C3 ZINC000772656384 1023583493 /nfs/dbraw/zinc/58/34/93/1023583493.db2.gz NUQBONXTEGOKQF-ZBKGVPMPSA-N -1 1 321.461 3.948 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2csc(Cl)c2)c1 ZINC000786351678 1023681771 /nfs/dbraw/zinc/68/17/71/1023681771.db2.gz VVLVNRZUFKQJLA-UHFFFAOYSA-N -1 1 324.785 3.709 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1c1ccccn1 ZINC000538743488 1033164064 /nfs/dbraw/zinc/16/40/64/1033164064.db2.gz IHQYCMSLTXBKMC-SFHVURJKSA-N -1 1 318.376 3.918 20 0 DHADMM O=C(Nc1nccc2ccncc21)c1ccc2ccccc2c1[O-] ZINC000788163147 1023860567 /nfs/dbraw/zinc/86/05/67/1023860567.db2.gz FPUMINJRJOGNSC-UHFFFAOYSA-N -1 1 315.332 3.741 20 0 DHADMM C[C@H]1CN(Cc2csc(C3CCCCC3)n2)CC[C@@H]1C(=O)[O-] ZINC000652497124 1023901594 /nfs/dbraw/zinc/90/15/94/1023901594.db2.gz LVXKMYUMLBACPA-WFASDCNBSA-N -1 1 322.474 3.733 20 0 DHADMM C[C@]1(F)CCCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000452209531 1024013857 /nfs/dbraw/zinc/01/38/57/1024013857.db2.gz SAUDPCXQBZLUJD-INIZCTEOSA-N -1 1 322.767 3.558 20 0 DHADMM O=C(NCC[C@H]1CCc2ccccc21)c1c(F)ccc([O-])c1F ZINC000452310615 1024054826 /nfs/dbraw/zinc/05/48/26/1024054826.db2.gz FKHGWJDEKWRTKF-GFCCVEGCSA-N -1 1 317.335 3.520 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])C1(c2cccc(F)c2)CCC1 ZINC000789929995 1024185018 /nfs/dbraw/zinc/18/50/18/1024185018.db2.gz LUTKJOHFXPHRPW-UHFFFAOYSA-N -1 1 320.751 3.640 20 0 DHADMM CC(C)c1ccccc1OCC(=O)Nc1nc(Cl)ccc1[O-] ZINC000790051737 1024211787 /nfs/dbraw/zinc/21/17/87/1024211787.db2.gz SQEFPSFQFDUPAT-UHFFFAOYSA-N -1 1 320.776 3.582 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cccc2ccsc21 ZINC000790047220 1024213908 /nfs/dbraw/zinc/21/39/08/1024213908.db2.gz ANOWXCPMZWCFBS-UHFFFAOYSA-N -1 1 304.758 3.908 20 0 DHADMM C/C=C/C[C@@H]1CCCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000626162215 1024311566 /nfs/dbraw/zinc/31/15/66/1024311566.db2.gz QNTXIDZIBVXEQV-QAVQXKDTSA-N -1 1 303.431 3.575 20 0 DHADMM Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC001137187696 1024389699 /nfs/dbraw/zinc/38/96/99/1024389699.db2.gz GDIDZIZEOQOXGE-UHFFFAOYSA-N -1 1 323.270 3.541 20 0 DHADMM COc1ccc(Cl)c(COC(=O)c2ccc([O-])cc2F)c1 ZINC000791440333 1024497943 /nfs/dbraw/zinc/49/79/43/1024497943.db2.gz UAYLEDQXVUSLFG-UHFFFAOYSA-N -1 1 310.708 3.550 20 0 DHADMM O=C(NC1(C2CCC2)CCC1)c1cc(Br)ccc1[O-] ZINC000717856428 1024566523 /nfs/dbraw/zinc/56/65/23/1024566523.db2.gz PHKMEVMBTALSKT-UHFFFAOYSA-N -1 1 324.218 3.607 20 0 DHADMM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000532266472 1024592198 /nfs/dbraw/zinc/59/21/98/1024592198.db2.gz DRROGGDZRZRHCD-JTQLQIEISA-N -1 1 323.751 3.899 20 0 DHADMM Cc1ccc(Br)c(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000532267277 1024592878 /nfs/dbraw/zinc/59/28/78/1024592878.db2.gz PZTKRAGGODBHBU-UHFFFAOYSA-N -1 1 324.149 3.855 20 0 DHADMM O=C(NCc1ccccc1Oc1ccccc1)c1cncc([O-])c1 ZINC000348865723 1024635182 /nfs/dbraw/zinc/63/51/82/1024635182.db2.gz ISQALUUFFCAMJP-UHFFFAOYSA-N -1 1 320.348 3.510 20 0 DHADMM CSCCc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000348306162 1024852277 /nfs/dbraw/zinc/85/22/77/1024852277.db2.gz JCYWJWAAHVFASM-UHFFFAOYSA-N -1 1 323.364 3.828 20 0 DHADMM CCCCCC[C@H](CCCC)Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001172516559 1033240775 /nfs/dbraw/zinc/24/07/75/1033240775.db2.gz JNLNHZCRZOVJHD-NSHDSACASA-N -1 1 321.425 3.657 20 0 DHADMM CC1=CC[C@](C)(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CC1 ZINC000666314379 1024942397 /nfs/dbraw/zinc/94/23/97/1024942397.db2.gz PSYQNJRMDCNWHD-SFHVURJKSA-N -1 1 311.385 3.857 20 0 DHADMM O=C([O-])c1ccc(CNCc2ccccc2OC2CCC2)cc1 ZINC000263382944 1024958189 /nfs/dbraw/zinc/95/81/89/1024958189.db2.gz CDTAOOZLCRZOHP-UHFFFAOYSA-N -1 1 311.381 3.606 20 0 DHADMM [O-]c1c(-c2nc(-c3ccc(F)cn3)no2)ccc2ccccc21 ZINC000391270807 1024988723 /nfs/dbraw/zinc/98/87/23/1024988723.db2.gz ABZGPVVSQLWXKF-UHFFFAOYSA-N -1 1 307.284 3.797 20 0 DHADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1csc(-c2ccsc2)n1 ZINC000263527769 1025071364 /nfs/dbraw/zinc/07/13/64/1025071364.db2.gz UVNFBSJULSMQLY-GHMZBOCLSA-N -1 1 322.455 3.557 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])c1coc2cc(F)ccc21 ZINC000793939838 1025204025 /nfs/dbraw/zinc/20/40/25/1025204025.db2.gz DVDXVDXWPMFWNL-UHFFFAOYSA-N -1 1 306.680 3.578 20 0 DHADMM CC[C@@H](C(=O)[N-]OCCSC)c1cccc(C(F)(F)F)c1 ZINC000794194403 1025235212 /nfs/dbraw/zinc/23/52/12/1025235212.db2.gz CFRYUVRJZNYIPC-GFCCVEGCSA-N -1 1 321.364 3.610 20 0 DHADMM O=C(NCCCc1ccccc1F)c1c([O-])cccc1Cl ZINC000794263437 1025252998 /nfs/dbraw/zinc/25/29/98/1025252998.db2.gz LIVJWIPJGITAGN-UHFFFAOYSA-N -1 1 307.752 3.547 20 0 DHADMM CC(=O)C(C)(C)CCC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885676352 1025378300 /nfs/dbraw/zinc/37/83/00/1025378300.db2.gz NZWRJYFLZAOZQY-UHFFFAOYSA-N -1 1 301.745 3.519 20 0 DHADMM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885676669 1025379526 /nfs/dbraw/zinc/37/95/26/1025379526.db2.gz RGDQCJDEFJFNMY-OTYXRUKQSA-N -1 1 315.772 3.719 20 0 DHADMM CC(C)[C@H]1C[C@@H](C(=O)Nc2cc(F)c([O-])cc2Cl)CCO1 ZINC000885682204 1025380586 /nfs/dbraw/zinc/38/05/86/1025380586.db2.gz LETWROGZSWYLDG-LKFCYVNXSA-N -1 1 315.772 3.574 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)C1CCC(OC(F)F)CC1 ZINC000354220630 1025385175 /nfs/dbraw/zinc/38/51/75/1025385175.db2.gz SCDRKSLCKWCDBU-UHFFFAOYSA-N -1 1 319.735 3.782 20 0 DHADMM Cc1ccsc1-c1nc(-c2ccc([O-])c(C(N)=O)c2)cs1 ZINC000028334468 1025482971 /nfs/dbraw/zinc/48/29/71/1025482971.db2.gz WLUVNTSAIPXOAI-UHFFFAOYSA-N -1 1 316.407 3.652 20 0 DHADMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c(C)c1 ZINC000110138001 1025606818 /nfs/dbraw/zinc/60/68/18/1025606818.db2.gz OYCQREBVEMLETR-UHFFFAOYSA-N -1 1 314.410 3.894 20 0 DHADMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)C1CCCCCC1 ZINC000289642539 1026110916 /nfs/dbraw/zinc/11/09/16/1026110916.db2.gz WTQOJANHDIBDBS-UHFFFAOYSA-N -1 1 316.373 3.751 20 0 DHADMM CCCCc1nnc([N-]C(=O)c2ccoc2C(F)(F)F)s1 ZINC000289667788 1026122722 /nfs/dbraw/zinc/12/27/22/1026122722.db2.gz GZFWHKZTAYULNM-UHFFFAOYSA-N -1 1 319.308 3.745 20 0 DHADMM COc1ccc([C@@H]2CCCN2C(=O)c2cc(F)ccc2[O-])cc1 ZINC000093908164 1026134659 /nfs/dbraw/zinc/13/46/59/1026134659.db2.gz NLGOALMPSWPZOQ-INIZCTEOSA-N -1 1 315.344 3.517 20 0 DHADMM C[C@H]1CN(Cc2c(Cl)cccc2C(=O)[O-])C[C@H](C)C1(F)F ZINC000629365430 1026149096 /nfs/dbraw/zinc/14/90/96/1026149096.db2.gz WUYUIOROYQAXLQ-UWVGGRQHSA-N -1 1 317.763 3.761 20 0 DHADMM Cc1ccccc1-n1ccnc1SCC(=O)c1ccc([O-])cc1 ZINC000026047195 1026493090 /nfs/dbraw/zinc/49/30/90/1026493090.db2.gz KIBCKMISRZGENY-UHFFFAOYSA-N -1 1 324.405 3.861 20 0 DHADMM Cc1c(=O)[n-]c(SCC(=O)C2(C)CC2)nc1-c1ccccc1 ZINC000280017174 1026576634 /nfs/dbraw/zinc/57/66/34/1026576634.db2.gz UKONQCGPCCZAOE-UHFFFAOYSA-N -1 1 314.410 3.619 20 0 DHADMM O=C(N[C@H]1CC[C@@H](c2cccc(F)c2)C1)c1ccc([O-])cc1F ZINC000280232884 1026617812 /nfs/dbraw/zinc/61/78/12/1026617812.db2.gz OLWFUVHLUNEJRV-OCCSQVGLSA-N -1 1 317.335 3.737 20 0 DHADMM CC(C)N(C)c1cccc(NC(=O)c2ccc([O-])c(F)c2)c1 ZINC000768062632 1026663535 /nfs/dbraw/zinc/66/35/35/1026663535.db2.gz ZWRBCVMBHIYRCR-UHFFFAOYSA-N -1 1 302.349 3.628 20 0 DHADMM CCOC(=O)Cc1ccc(-c2c(Cl)ccc([O-])c2F)cc1 ZINC001244541725 1026768972 /nfs/dbraw/zinc/76/89/72/1026768972.db2.gz RXXLUGYWABJFLX-UHFFFAOYSA-N -1 1 308.736 3.957 20 0 DHADMM O=C([O-])CCN(Cc1cccc(F)c1F)CC1=CCCCC1 ZINC000571335645 1027118609 /nfs/dbraw/zinc/11/86/09/1027118609.db2.gz ADWXLCRBQGFEON-UHFFFAOYSA-N -1 1 309.356 3.742 20 0 DHADMM Cc1ccc(-c2cc(C(=O)[N-]c3nocc3C3CC3)on2)cc1 ZINC001133061016 1027122812 /nfs/dbraw/zinc/12/28/12/1027122812.db2.gz SGQOHAQQFDEWCP-UHFFFAOYSA-N -1 1 309.325 3.768 20 0 DHADMM O=C([N-]c1nocc1C1CC1)c1cc(-c2cccc(F)c2)no1 ZINC001133285111 1027287017 /nfs/dbraw/zinc/28/70/17/1027287017.db2.gz XJJPOQKUAQYBNR-UHFFFAOYSA-N -1 1 313.288 3.598 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000367462835 1027607818 /nfs/dbraw/zinc/60/78/18/1027607818.db2.gz DYPOEOXDBFJYAR-JKSUJKDBSA-N -1 1 317.772 3.904 20 0 DHADMM O=C(C[C@H]1OCCc2ccsc21)Nc1ccc([O-])c(Cl)c1 ZINC000365241858 1027905777 /nfs/dbraw/zinc/90/57/77/1027905777.db2.gz SCPILJOBJKYWAM-CYBMUJFWSA-N -1 1 323.801 3.750 20 0 DHADMM C[C@@]12CCN(Cc3c(Cl)cccc3C(=O)[O-])C[C@@H]1C2(F)F ZINC000577769263 1027922132 /nfs/dbraw/zinc/92/21/32/1027922132.db2.gz FTXJILZAEDPOHE-GXTWGEPZSA-N -1 1 315.747 3.515 20 0 DHADMM COc1cccc(C[C@H](C)CC(=O)Nc2c([O-])cccc2F)c1 ZINC000935098513 1028198965 /nfs/dbraw/zinc/19/89/65/1028198965.db2.gz BRQAUGPQGAWTAK-LBPRGKRZSA-N -1 1 317.360 3.747 20 0 DHADMM C[C@@H]1[C@H](NC(=O)c2c(F)ccc([O-])c2F)C[C@@H]1c1ccccc1 ZINC000368051718 1028291183 /nfs/dbraw/zinc/29/11/83/1028291183.db2.gz PJXUZEVXQMTOJG-VHRBIJSZSA-N -1 1 317.335 3.592 20 0 DHADMM CC1(C)CN(C(=O)c2cc(Cl)ccc2[O-])[C@H]1c1ccco1 ZINC001170776049 1028334346 /nfs/dbraw/zinc/33/43/46/1028334346.db2.gz JTRZDPHBXHTSKS-AWEZNQCLSA-N -1 1 305.761 3.862 20 0 DHADMM O=C(N[C@@H]1CC[C@@H](c2ccccc2F)C1)c1ccc([O-])cc1F ZINC000369537564 1028500584 /nfs/dbraw/zinc/50/05/84/1028500584.db2.gz RUEYTDKBFFAVSM-VXGBXAGGSA-N -1 1 317.335 3.737 20 0 DHADMM COc1ccccc1[C@H](C)CC(=O)Nc1nc(Cl)ccc1[O-] ZINC000188343489 1028506818 /nfs/dbraw/zinc/50/68/18/1028506818.db2.gz UBAOBIUBECWYGT-SNVBAGLBSA-N -1 1 320.776 3.582 20 0 DHADMM Cc1ccc2cccc(C(=O)Nc3nc(Cl)ccc3[O-])c2n1 ZINC000188364424 1028508769 /nfs/dbraw/zinc/50/87/69/1028508769.db2.gz PVXAZVYCJQGZCR-UHFFFAOYSA-N -1 1 313.744 3.550 20 0 DHADMM C[C@H](CC(=O)[O-])N(C)Cc1nc(-c2ccccc2Cl)cs1 ZINC000565255728 1028565831 /nfs/dbraw/zinc/56/58/31/1028565831.db2.gz ZVWBTQGMVBBZIS-SNVBAGLBSA-N -1 1 324.833 3.759 20 0 DHADMM Cc1cc(CN2CCC[C@H]2c2cccc(F)c2)oc1C(=O)[O-] ZINC000566359370 1028710208 /nfs/dbraw/zinc/71/02/08/1028710208.db2.gz SCFDMCXDVYFKBR-HNNXBMFYSA-N -1 1 303.333 3.762 20 0 DHADMM CSc1ccccc1[C@H](C)NC(=O)c1c(F)ccc([O-])c1F ZINC000566706908 1028768235 /nfs/dbraw/zinc/76/82/35/1028768235.db2.gz OVPVPEXUROFILR-VIFPVBQESA-N -1 1 323.364 3.883 20 0 DHADMM CC1=C(Br)CN(Cc2cccc([O-])c2Cl)CC1 ZINC000816598313 1028954740 /nfs/dbraw/zinc/95/47/40/1028954740.db2.gz XHFMXNZUBDFRNJ-UHFFFAOYSA-N -1 1 316.626 3.920 20 0 DHADMM CCCC[C@H](C)N(C)c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000568339874 1029048320 /nfs/dbraw/zinc/04/83/20/1029048320.db2.gz LJIQBJROVUACNE-LBPRGKRZSA-N -1 1 314.433 3.876 20 0 DHADMM O=C([N-]c1cc(F)cc(F)c1F)c1nc(Cl)ccc1F ZINC000817085072 1029070825 /nfs/dbraw/zinc/07/08/25/1029070825.db2.gz JASLRAOWRVSBRE-UHFFFAOYSA-N -1 1 304.630 3.544 20 0 DHADMM C[C@@H](C(=O)[N-]OCCC1CC1)c1c(Cl)cccc1Cl ZINC000817388072 1029142936 /nfs/dbraw/zinc/14/29/36/1029142936.db2.gz PLRBHAHNFZHNMZ-SECBINFHSA-N -1 1 302.201 3.945 20 0 DHADMM CCOc1cc(C(=O)N[C@H](C2CC2)C2CCC2)cc(Cl)c1[O-] ZINC000568963431 1029155290 /nfs/dbraw/zinc/15/52/90/1029155290.db2.gz HJSALQBEULPEAV-HNNXBMFYSA-N -1 1 323.820 3.753 20 0 DHADMM Cc1cc(F)ccc1CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000569276367 1029210818 /nfs/dbraw/zinc/21/08/18/1029210818.db2.gz DZRKMKOHMXAYBC-UHFFFAOYSA-N -1 1 300.305 3.860 20 0 DHADMM CC1(C)C[C@H](C(=O)Nc2ccc(F)cc2[O-])c2ccccc2O1 ZINC000412195468 1029357904 /nfs/dbraw/zinc/35/79/04/1029357904.db2.gz PUIAXCWCPIQQKR-ZDUSSCGKSA-N -1 1 315.344 3.815 20 0 DHADMM C[C@]12CCCC[C@H]1CN2C(=O)c1cc(Br)ccc1[O-] ZINC000629615173 1029385063 /nfs/dbraw/zinc/38/50/63/1029385063.db2.gz SBLJMCJYKMDTLD-BONVTDFDSA-N -1 1 324.218 3.559 20 0 DHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)[C@H]1CCCCO1 ZINC000529538381 1029397804 /nfs/dbraw/zinc/39/78/04/1029397804.db2.gz BLPBLOAAULFRLN-CQSZACIVSA-N -1 1 305.761 3.706 20 0 DHADMM O=C(Nc1cccc(C2CCOCC2)c1)c1ccc([O-])cc1F ZINC000529935870 1029637976 /nfs/dbraw/zinc/63/79/76/1029637976.db2.gz PTFIBHPIOLIFNL-UHFFFAOYSA-N -1 1 315.344 3.678 20 0 DHADMM COc1ccccc1C[C@@H](C)CC(=O)Nc1cccc(F)c1[O-] ZINC000530006374 1029699407 /nfs/dbraw/zinc/69/94/07/1029699407.db2.gz PASOPAMYJFIDKD-GFCCVEGCSA-N -1 1 317.360 3.747 20 0 DHADMM CCCOc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1Cl ZINC001136320876 1029705393 /nfs/dbraw/zinc/70/53/93/1029705393.db2.gz FSSKTPZIFRNSKT-UHFFFAOYSA-N -1 1 321.760 3.792 20 0 DHADMM C[C@@H]1CC(F)(F)CCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000530018080 1029720086 /nfs/dbraw/zinc/72/00/86/1029720086.db2.gz YCESEFICDBLZMG-LLVKDONJSA-N -1 1 305.324 3.805 20 0 DHADMM COc1cnc(C=Cc2cc(C)c(OC(F)F)c(C)c2)[n-]c1=O ZINC000821008918 1029804764 /nfs/dbraw/zinc/80/47/64/1029804764.db2.gz UMVCBMNUIUJYSV-SNAWJCMRSA-N -1 1 322.311 3.579 20 0 DHADMM O=C(C[C@@H]1CC=CCC1)Nc1cccc([O-])c1Br ZINC000821374081 1029828730 /nfs/dbraw/zinc/82/87/30/1029828730.db2.gz BAPBYHBMFSAIJF-SNVBAGLBSA-N -1 1 310.191 3.840 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000821375194 1029829538 /nfs/dbraw/zinc/82/95/38/1029829538.db2.gz OZIWAZSIDPGRFB-RTCCRHLQSA-N -1 1 324.218 3.920 20 0 DHADMM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNC(=O)c1cc(F)ccc1[O-] ZINC001136488016 1029864773 /nfs/dbraw/zinc/86/47/73/1029864773.db2.gz CKARODQWHRNCSE-NFAWXSAZSA-N -1 1 307.409 3.970 20 0 DHADMM CC[C@@H]1CC[C@H](C)N1c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000357288089 1029979298 /nfs/dbraw/zinc/97/92/98/1029979298.db2.gz NQZGLHSVNKSGPB-XHDPSFHLSA-N -1 1 312.417 3.628 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)C2(CCF)CC2)c1 ZINC000290554053 1030103616 /nfs/dbraw/zinc/10/36/16/1030103616.db2.gz WOPNNUILXIAWJZ-UHFFFAOYSA-N -1 1 316.170 3.541 20 0 DHADMM CN(C(=O)c1ccc([O-])cc1F)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000290706317 1030159154 /nfs/dbraw/zinc/15/91/54/1030159154.db2.gz TYBKCYGLRJHIJP-AOOOYVTPSA-N -1 1 319.298 3.724 20 0 DHADMM C[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])CCC1(F)F ZINC000290870216 1030230807 /nfs/dbraw/zinc/23/08/07/1030230807.db2.gz JAUHCWABGISMQN-LLVKDONJSA-N -1 1 305.324 3.663 20 0 DHADMM CCCN(CCc1cccc(F)c1)C(=O)c1ccc(F)c([O-])c1 ZINC001136738441 1030317156 /nfs/dbraw/zinc/31/71/56/1030317156.db2.gz MXLIFDADFKFQSB-UHFFFAOYSA-N -1 1 319.351 3.765 20 0 DHADMM Cc1ccnc(-c2cccc(NC(=O)c3ccc([O-])cc3F)c2)n1 ZINC001136756746 1030351868 /nfs/dbraw/zinc/35/18/68/1030351868.db2.gz QCKRVJIZLKWDFO-UHFFFAOYSA-N -1 1 323.327 3.549 20 0 DHADMM COc1cc(C(=O)N(CC2CC2)CC2CCC2)cc(Cl)c1[O-] ZINC000358432353 1030486628 /nfs/dbraw/zinc/48/66/28/1030486628.db2.gz WDVZMXHGWBAQSP-UHFFFAOYSA-N -1 1 323.820 3.707 20 0 DHADMM CC[C@H](C)[C@H](C)NC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001136855142 1030523563 /nfs/dbraw/zinc/52/35/63/1030523563.db2.gz VTSRSVQYBDQHDF-RYUDHWBXSA-N -1 1 315.369 3.629 20 0 DHADMM Cc1cc(C=O)c([O-])c(C(=O)N2CCCCC[C@H]2CC(C)C)c1 ZINC001136860713 1030530872 /nfs/dbraw/zinc/53/08/72/1030530872.db2.gz ZHDNBYQLQSVHLK-INIZCTEOSA-N -1 1 317.429 3.944 20 0 DHADMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000105591924 1030602369 /nfs/dbraw/zinc/60/23/69/1030602369.db2.gz YYWWPESQBHAAIJ-GFCCVEGCSA-N -1 1 323.389 3.642 20 0 DHADMM CCOc1cc(C(=O)N2CC(C)(C)[C@H]2C2CC2)cc(Cl)c1[O-] ZINC000291880372 1030679977 /nfs/dbraw/zinc/67/99/77/1030679977.db2.gz IMMHYXYTGRIFFQ-OAHLLOKOSA-N -1 1 323.820 3.705 20 0 DHADMM COc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)cc(OC)c1C ZINC000067739018 1030967062 /nfs/dbraw/zinc/96/70/62/1030967062.db2.gz UCZCCYHWFPUFKO-UHFFFAOYSA-N -1 1 321.760 3.624 20 0 DHADMM CC(C)(C)c1cc(C(=O)[N-]c2cc(F)c(F)c(F)c2F)no1 ZINC000871268395 1031178199 /nfs/dbraw/zinc/17/81/99/1031178199.db2.gz KKZHZJIWODLKEK-UHFFFAOYSA-N -1 1 316.254 3.781 20 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JLZFRUKLAQFQAK-JTQLQIEISA-N -1 1 308.662 3.810 20 0 DHADMM CO[C@H]1CCCC[C@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000293322804 1031427022 /nfs/dbraw/zinc/42/70/22/1031427022.db2.gz YEPSHHAUFGJXSP-YPMHNXCESA-N -1 1 308.765 3.768 20 0 DHADMM COCC[C@H](NCc1cccc([O-])c1Cl)c1ccc(C)o1 ZINC000293367980 1031444002 /nfs/dbraw/zinc/44/40/02/1031444002.db2.gz VDHZYFCOISYLLN-ZDUSSCGKSA-N -1 1 309.793 3.814 20 0 DHADMM Cc1nc(SC[C@@H]2CC2(Cl)Cl)[n-]c(=O)c1C1CC1 ZINC000865373025 1031520203 /nfs/dbraw/zinc/52/02/03/1031520203.db2.gz CEVAPBRYLRWCFW-QMMMGPOBSA-N -1 1 305.230 3.654 20 0 DHADMM C[C@H](c1ccccc1Cl)N1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1 ZINC000872168858 1031545900 /nfs/dbraw/zinc/54/59/00/1031545900.db2.gz AIYUEKIJBMZNSM-MIMYLULJSA-N -1 1 321.726 3.596 20 0 DHADMM Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2ncc(C)cc2[O-])c1 ZINC000460128278 1031558497 /nfs/dbraw/zinc/55/84/97/1031558497.db2.gz KLSGQWJCDYPJOT-INIZCTEOSA-N -1 1 310.397 3.690 20 0 DHADMM COc1ccccc1[C@@H](C)N(C)Cc1sccc1C(=O)[O-] ZINC001144677431 1031820670 /nfs/dbraw/zinc/82/06/70/1031820670.db2.gz PYAOZSSOEPQZOF-LLVKDONJSA-N -1 1 305.399 3.648 20 0 DHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC[C@H](C2CCC2)C1 ZINC000897985733 1031914574 /nfs/dbraw/zinc/91/45/74/1031914574.db2.gz OYXZCYMAMJLFLQ-AWEZNQCLSA-N -1 1 311.381 3.513 20 0 DHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC[C@@H]2CCCC[C@@H]21 ZINC000898078278 1031947870 /nfs/dbraw/zinc/94/78/70/1031947870.db2.gz BMCABUUTNZQAST-GUYCJALGSA-N -1 1 311.381 3.656 20 0 DHADMM COc1cc(C)cc(C(=O)Nc2cc(F)cc(F)c2[O-])c1C ZINC001142545823 1031996367 /nfs/dbraw/zinc/99/63/67/1031996367.db2.gz KBYLSXKOVIWTKD-UHFFFAOYSA-N -1 1 307.296 3.548 20 0 DHADMM O=C1N[C@H](c2cccc([O-])c2Cl)Nc2cccc(Cl)c21 ZINC000877854561 1033487713 /nfs/dbraw/zinc/48/77/13/1033487713.db2.gz SHXTWYVXUPCICT-CYBMUJFWSA-N -1 1 309.152 3.553 20 0 DHADMM O=C(c1c(F)ccc([O-])c1F)N1CCc2cc(Cl)ccc21 ZINC000553298590 1033652284 /nfs/dbraw/zinc/65/22/84/1033652284.db2.gz BVXXJMVAEOFLQU-UHFFFAOYSA-N -1 1 309.699 3.527 20 0 DHADMM Cc1cccnc1[C@H](NC(=O)c1ccc([O-])c(F)c1)C(C)(C)C ZINC000889889444 1033767759 /nfs/dbraw/zinc/76/77/59/1033767759.db2.gz QJGPDGQLHRFOAU-INIZCTEOSA-N -1 1 316.376 3.752 20 0 DHADMM [O-]c1c(Nc2ccc3c(c2)CCO3)ccc(F)c1Br ZINC001174011430 1034041318 /nfs/dbraw/zinc/04/13/18/1034041318.db2.gz HBEFDWBHGJOJQI-UHFFFAOYSA-N -1 1 324.149 3.972 20 0 DHADMM O=C([N-]Oc1ccc(F)cc1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000898573040 1034116854 /nfs/dbraw/zinc/11/68/54/1034116854.db2.gz GJSJIMCVCNGOTH-NXEZZACHSA-N -1 1 305.271 3.604 20 0 DHADMM O=C(c1ccc(Nc2cc(F)c([O-])cc2F)cc1)N1CCCC1 ZINC001174070622 1034130446 /nfs/dbraw/zinc/13/04/46/1034130446.db2.gz XTDFSLPKMBWCKN-UHFFFAOYSA-N -1 1 318.323 3.650 20 0 DHADMM CCCCNC(=O)c1ccc(Nc2ccnc(Cl)c2[O-])cc1 ZINC001174122165 1034188399 /nfs/dbraw/zinc/18/83/99/1034188399.db2.gz ADQXJNKEHGICLI-UHFFFAOYSA-N -1 1 319.792 3.714 20 0 DHADMM CN=[S@](C)(=O)c1cccc(NCc2cccc([O-])c2Cl)c1 ZINC000864014913 1034253510 /nfs/dbraw/zinc/25/35/10/1034253510.db2.gz 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/nfs/dbraw/zinc/37/26/47/1034372647.db2.gz BLFRSMBZULPHCE-UHFFFAOYSA-N -1 1 309.818 3.709 20 0 DHADMM CC(C)c1nnc([N-]c2ccc(C(=O)OC(C)(C)C)cc2)o1 ZINC001174426375 1034375194 /nfs/dbraw/zinc/37/51/94/1034375194.db2.gz SDYYUEIYPMEAOZ-UHFFFAOYSA-N -1 1 303.362 3.892 20 0 DHADMM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1ccc(Cl)o1 ZINC000864528761 1034378907 /nfs/dbraw/zinc/37/89/07/1034378907.db2.gz TWALYJVEMZVWHN-CQSZACIVSA-N -1 1 307.777 3.801 20 0 DHADMM Cc1ccc([C@H](C)CNC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000554872282 1034384853 /nfs/dbraw/zinc/38/48/53/1034384853.db2.gz VRLGFHFHJQBEJV-LLVKDONJSA-N -1 1 305.324 3.512 20 0 DHADMM CNC(=O)c1ccc(Nc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC001174513124 1034469993 /nfs/dbraw/zinc/46/99/93/1034469993.db2.gz PPXFVDANDZZEHS-UHFFFAOYSA-N -1 1 311.168 3.802 20 0 DHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(C)c(C)c2)c1 ZINC001174632505 1034518305 /nfs/dbraw/zinc/51/83/05/1034518305.db2.gz GYEHUPGVVZKEFG-UHFFFAOYSA-N -1 1 305.399 3.546 20 0 DHADMM Cc1c(=O)[n-]c(SCOCC(C)C)nc1-c1ccccc1 ZINC000865364815 1034608842 /nfs/dbraw/zinc/60/88/42/1034608842.db2.gz VQHUYUGPPJKLHD-UHFFFAOYSA-N -1 1 304.415 3.880 20 0 DHADMM COc1ccc(Nc2cc3ccc([O-])cc3oc2=O)c(F)c1F ZINC001175019018 1034739441 /nfs/dbraw/zinc/73/94/41/1034739441.db2.gz IEIRUAFBECUGBE-UHFFFAOYSA-N -1 1 319.263 3.529 20 0 DHADMM Cc1cccc2c1CC[N@@H+](Cc1ccc(Cl)cc1C(=O)[O-])C2 ZINC001142643465 1034860473 /nfs/dbraw/zinc/86/04/73/1034860473.db2.gz WGFNRYHQQLSPBO-UHFFFAOYSA-N -1 1 315.800 3.905 20 0 DHADMM Cc1cccc2c1CCN(Cc1ccc(Cl)cc1C(=O)[O-])C2 ZINC001142643465 1034860478 /nfs/dbraw/zinc/86/04/78/1034860478.db2.gz WGFNRYHQQLSPBO-UHFFFAOYSA-N -1 1 315.800 3.905 20 0 DHADMM [O-]c1c(Br)c(F)ccc1Nc1cccc2c[nH]nc21 ZINC001175641978 1035057808 /nfs/dbraw/zinc/05/78/08/1035057808.db2.gz SCYMXYLKVQAEIN-UHFFFAOYSA-N -1 1 322.137 3.914 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CC[C@H](C)C2)c1 ZINC000482608736 1035144063 /nfs/dbraw/zinc/14/40/63/1035144063.db2.gz WFHWGMHEWAWNPO-WCBMZHEXSA-N -1 1 312.207 3.838 20 0 DHADMM Cc1nnc(-c2cccc(Nc3ccnc(Cl)c3[O-])c2)o1 ZINC001175991284 1035176455 /nfs/dbraw/zinc/17/64/55/1035176455.db2.gz DRLRQTXZICRYAB-UHFFFAOYSA-N -1 1 302.721 3.543 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ccnc(OC(F)F)c2)c1F ZINC001176664189 1035308770 /nfs/dbraw/zinc/30/87/70/1035308770.db2.gz QNXNQBBNGMONCD-UHFFFAOYSA-N -1 1 306.190 3.550 20 0 DHADMM Nc1cc(Cl)c(Cl)nc1Nc1c(F)cc(F)c([O-])c1F ZINC001176664174 1035308823 /nfs/dbraw/zinc/30/88/23/1035308823.db2.gz QCCSXSOTUBKKPF-UHFFFAOYSA-N -1 1 324.089 3.837 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ccnn2-c2cccc(F)c2)c1F ZINC001176663408 1035308945 /nfs/dbraw/zinc/30/89/45/1035308945.db2.gz JFNGQIIPSSQQMM-UHFFFAOYSA-N -1 1 323.249 3.878 20 0 DHADMM O=c1ccc2cc(Nc3c(F)cc(F)c([O-])c3F)c[nH]c-2c1 ZINC001176664735 1035309159 /nfs/dbraw/zinc/30/91/59/1035309159.db2.gz ZLQIAMPSVAUICK-UHFFFAOYSA-N -1 1 306.243 3.807 20 0 DHADMM CC1(C)NC(=O)c2cc(Nc3c(F)cc(F)c([O-])c3F)ccc21 ZINC001176672243 1035309982 /nfs/dbraw/zinc/30/99/82/1035309982.db2.gz KHUPRQKFHNWINK-UHFFFAOYSA-N -1 1 322.286 3.532 20 0 DHADMM O=C1CCCc2cc(Nc3c(F)cc(F)c([O-])c3F)ccc2N1 ZINC001176671425 1035310212 /nfs/dbraw/zinc/31/02/12/1035310212.db2.gz YNMOIMZEEBOFMK-UHFFFAOYSA-N -1 1 322.286 3.828 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cccc(-c3nnco3)c2)c1F ZINC001176671351 1035310454 /nfs/dbraw/zinc/31/04/54/1035310454.db2.gz AOFDQFMONBIMKI-UHFFFAOYSA-N -1 1 307.231 3.603 20 0 DHADMM Cc1nc(Cl)c(Nc2c(F)cc(F)c([O-])c2F)nc1C ZINC001176664935 1035310575 /nfs/dbraw/zinc/31/05/75/1035310575.db2.gz ZGXBFCGLVIFPPV-UHFFFAOYSA-N -1 1 303.671 3.613 20 0 DHADMM CC(C)c1ccc([C@@H](CC(=O)[O-])NCc2cncs2)cc1 ZINC000904002322 1035337534 /nfs/dbraw/zinc/33/75/34/1035337534.db2.gz SNOIUXQZUSPPRW-OAHLLOKOSA-N -1 1 304.415 3.572 20 0 DHADMM C[C@@H](C(=O)[O-])[C@@H](NCc1cscc1Cl)c1ccccc1 ZINC000904002902 1035338237 /nfs/dbraw/zinc/33/82/37/1035338237.db2.gz GNAVHTRDUKDCEG-QMTHXVAHSA-N -1 1 309.818 3.953 20 0 DHADMM C[C@H](C(=O)[O-])[C@H](NCc1cscc1Cl)c1ccccc1 ZINC000904002900 1035338351 /nfs/dbraw/zinc/33/83/51/1035338351.db2.gz GNAVHTRDUKDCEG-HZMBPMFUSA-N -1 1 309.818 3.953 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2cnn(C(C)(C)C)c2)c([O-])c1 ZINC000436536842 1035338379 /nfs/dbraw/zinc/33/83/79/1035338379.db2.gz CXGPJMYHXMLWSN-UHFFFAOYSA-N -1 1 301.390 3.719 20 0 DHADMM O=C([O-])CCc1cccc(CNCc2cscc2Cl)c1 ZINC000904026266 1035353764 /nfs/dbraw/zinc/35/37/64/1035353764.db2.gz RJQZDQHEYXDZGZ-UHFFFAOYSA-N -1 1 309.818 3.709 20 0 DHADMM C[C@@H]1CCC[C@]1(C)C(=O)Nc1ccc(Br)c([O-])c1 ZINC001325204022 1035372588 /nfs/dbraw/zinc/37/25/88/1035372588.db2.gz OEQKVFDMANDHQR-OTYXRUKQSA-N -1 1 312.207 3.920 20 0 DHADMM C[C@H]1CCC[C@]1(C)C(=O)Nc1ccc(Br)c([O-])c1 ZINC001325204031 1035374882 /nfs/dbraw/zinc/37/48/82/1035374882.db2.gz OEQKVFDMANDHQR-XPTSAGLGSA-N -1 1 312.207 3.920 20 0 DHADMM C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1[O-])c1cccnc1 ZINC001177793888 1035393787 /nfs/dbraw/zinc/39/37/87/1035393787.db2.gz PORKRSDWRCGSDN-SECBINFHSA-N -1 1 310.275 3.548 20 0 DHADMM CCc1cc(=O)[n-]c(S[C@H]2CCCc3ccc(F)cc32)n1 ZINC000195060966 1035406485 /nfs/dbraw/zinc/40/64/85/1035406485.db2.gz VWWYKNNRXDFKFD-AWEZNQCLSA-N -1 1 304.390 3.641 20 0 DHADMM CSc1ccc([O-])c(-c2nc(-c3cccc(F)c3)no2)c1 ZINC000904534403 1035423409 /nfs/dbraw/zinc/42/34/09/1035423409.db2.gz OLRSKPDFLFQVMO-UHFFFAOYSA-N -1 1 302.330 3.970 20 0 DHADMM CSc1ccc([O-])c(-c2nc(-c3ccccc3F)no2)c1 ZINC000904777621 1035451418 /nfs/dbraw/zinc/45/14/18/1035451418.db2.gz OTXAJIMTVWVXNN-UHFFFAOYSA-N -1 1 302.330 3.970 20 0 DHADMM O=C(c1cccc([O-])c1F)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC001179488590 1035480302 /nfs/dbraw/zinc/48/03/02/1035480302.db2.gz JCGIZMABMWSGMF-AYJWMTRPSA-N -1 1 311.356 3.849 20 0 DHADMM O=C(c1cccc([O-])c1F)N1CCC[C@H]1/C=C/c1ccccc1 ZINC001179488592 1035480707 /nfs/dbraw/zinc/48/07/07/1035480707.db2.gz JCGIZMABMWSGMF-RUMSDORHSA-N -1 1 311.356 3.849 20 0 DHADMM O=C(Nc1c([O-])cccc1F)C1CC(c2ccc(F)cc2)C1 ZINC000645926936 1035485998 /nfs/dbraw/zinc/48/59/98/1035485998.db2.gz ULPGXAVKVKDXDB-UHFFFAOYSA-N -1 1 303.308 3.803 20 0 DHADMM O=S(=O)([N-]CC1CCC2(CC2)CC1)c1cc2ccccc2o1 ZINC001193160621 1035580189 /nfs/dbraw/zinc/58/01/89/1035580189.db2.gz IMTQEIVVFXVXIU-UHFFFAOYSA-N -1 1 319.426 3.682 20 0 DHADMM C[C@H](NCc1ccc(C(=O)[O-])cn1)c1ccccc1C(F)(F)F ZINC000905726171 1035629646 /nfs/dbraw/zinc/62/96/46/1035629646.db2.gz KCAIVNIXSPDWNO-JTQLQIEISA-N -1 1 324.302 3.649 20 0 DHADMM O=S(=O)(CC1CCC1)[N-]c1cc(-c2ccccc2)cs1 ZINC001193479829 1035638212 /nfs/dbraw/zinc/63/82/12/1035638212.db2.gz FOORDCAHKVZMBW-UHFFFAOYSA-N -1 1 307.440 3.957 20 0 DHADMM O=C([O-])c1ccc(CN[C@H]2CCCc3cccnc32)cc1Cl ZINC000905753086 1035642504 /nfs/dbraw/zinc/64/25/04/1035642504.db2.gz XMCFFBIIYIAVOZ-HNNXBMFYSA-N -1 1 316.788 3.600 20 0 DHADMM Cc1ccc2ccccc2c1[N-]S(=O)(=O)c1ccccc1N ZINC001193885917 1035753112 /nfs/dbraw/zinc/75/31/12/1035753112.db2.gz CMQNYDNJSGYOTJ-UHFFFAOYSA-N -1 1 312.394 3.531 20 0 DHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc2scnc2c1 ZINC000195447659 1035896864 /nfs/dbraw/zinc/89/68/64/1035896864.db2.gz VWWDSWZEPNRBBO-UHFFFAOYSA-N -1 1 322.386 3.545 20 0 DHADMM O=S(=O)([N-]c1ccc2scnc2c1)c1cccc(Cl)c1 ZINC000195447780 1035899844 /nfs/dbraw/zinc/89/98/44/1035899844.db2.gz XPEIAIJRLWQWLU-UHFFFAOYSA-N -1 1 324.814 3.751 20 0 DHADMM CC(C)c1ccc2c(c1)CCN(C(=O)c1ccc([O-])c(F)c1)C2 ZINC001181643372 1035950005 /nfs/dbraw/zinc/95/00/05/1035950005.db2.gz RGSHVOVZYRZFPQ-UHFFFAOYSA-N -1 1 313.372 3.853 20 0 DHADMM CC[C@H](CC(C)C)C(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001181804352 1035996038 /nfs/dbraw/zinc/99/60/38/1035996038.db2.gz DBASTXNYVSRNLA-CYBMUJFWSA-N -1 1 301.390 3.589 20 0 DHADMM [O-]c1cc(F)c(Nc2cncc(OC(F)F)c2)cc1Cl ZINC001250023068 1036017303 /nfs/dbraw/zinc/01/73/03/1036017303.db2.gz BCXDHHJNRQYWFW-UHFFFAOYSA-N -1 1 304.655 3.925 20 0 DHADMM CC(C)(C)c1cccc(NC(=O)c2c[n-]c(C(F)(F)F)n2)c1 ZINC001194781995 1036018080 /nfs/dbraw/zinc/01/80/80/1036018080.db2.gz JQCAPUMSYCETAN-UHFFFAOYSA-N -1 1 311.307 3.978 20 0 DHADMM CCc1cccc(CC)c1NC(=O)c1c[n-]c(C(F)(F)F)n1 ZINC001194782875 1036018501 /nfs/dbraw/zinc/01/85/01/1036018501.db2.gz XWPIYXLZPMLGOD-UHFFFAOYSA-N -1 1 311.307 3.806 20 0 DHADMM Cc1cnc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c(Cl)c1 ZINC001195120951 1036143199 /nfs/dbraw/zinc/14/31/99/1036143199.db2.gz YALGETBFHFXYMI-UHFFFAOYSA-N -1 1 324.833 3.968 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CCOC2(CCCC2)C1 ZINC000907092392 1036146268 /nfs/dbraw/zinc/14/62/68/1036146268.db2.gz GQNZMUAGSXWTRU-NSHDSACASA-N -1 1 309.793 3.724 20 0 DHADMM Cc1ccc(OC(C)C)cc1NC(=O)c1cc([O-])cnc1Cl ZINC001195309946 1036214892 /nfs/dbraw/zinc/21/48/92/1036214892.db2.gz XQLBPXPCPMHHEH-UHFFFAOYSA-N -1 1 320.776 3.789 20 0 DHADMM COc1cccc2c(NC(=O)c3nc(C)ccc3[O-])cccc12 ZINC001195330430 1036232612 /nfs/dbraw/zinc/23/26/12/1036232612.db2.gz ODQXLYXOMRCXSG-UHFFFAOYSA-N -1 1 308.337 3.510 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1ccc(Cl)c(F)c1Cl ZINC001195487768 1036270090 /nfs/dbraw/zinc/27/00/90/1036270090.db2.gz ZVLKBFZWWROCIT-UHFFFAOYSA-N -1 1 311.165 3.575 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1ccc2c(c1)Cc1ccccc1-2 ZINC001195486496 1036270296 /nfs/dbraw/zinc/27/02/96/1036270296.db2.gz GUAODWFOXNCLNE-UHFFFAOYSA-N -1 1 312.394 3.701 20 0 DHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])c1cccnc1C1CC1 ZINC001195564755 1036285637 /nfs/dbraw/zinc/28/56/37/1036285637.db2.gz ITYXECIADTWRKC-UHFFFAOYSA-N -1 1 322.286 3.936 20 0 DHADMM O=C([N-]c1noc2nccnc12)c1sccc1-c1ccccc1 ZINC001195709603 1036321756 /nfs/dbraw/zinc/32/17/56/1036321756.db2.gz OEBUDKCOUAUFEH-UHFFFAOYSA-N -1 1 322.349 3.599 20 0 DHADMM Cc1cccc(NC(=O)c2ccc([O-])cc2F)c1Br ZINC000230095891 1036362429 /nfs/dbraw/zinc/36/24/29/1036362429.db2.gz AGHLDDBOTUTESH-UHFFFAOYSA-N -1 1 324.149 3.855 20 0 DHADMM CCOc1cc(-c2nc([C@@]3(C)CCCO3)no2)cc(Cl)c1[O-] ZINC000350756795 1036467966 /nfs/dbraw/zinc/46/79/66/1036467966.db2.gz MSJKMICRHXPKKQ-OAHLLOKOSA-N -1 1 324.764 3.520 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)C1(C(F)F)CCC1 ZINC000908718375 1036480796 /nfs/dbraw/zinc/48/07/96/1036480796.db2.gz WMLQLHUGWOVHNA-UHFFFAOYSA-N -1 1 320.133 3.529 20 0 DHADMM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1cccc([O-])c1Br ZINC000908708444 1036485377 /nfs/dbraw/zinc/48/53/77/1036485377.db2.gz WWNBWRYESKPHNY-NXEZZACHSA-N -1 1 312.207 3.775 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)C(C1CC1)C1CC1 ZINC000908708798 1036485933 /nfs/dbraw/zinc/48/59/33/1036485933.db2.gz BEJQXFWPZWYULC-UHFFFAOYSA-N -1 1 310.191 3.529 20 0 DHADMM CC[C@H](C)CCC(=O)Nc1cccc([O-])c1Br ZINC000908708580 1036486937 /nfs/dbraw/zinc/48/69/37/1036486937.db2.gz ZLNVFDLUNKXSIW-VIFPVBQESA-N -1 1 300.196 3.920 20 0 DHADMM C[C@@H]1CCC[C@@H](C(=O)Nc2cccc([O-])c2Br)C1 ZINC000908713996 1036489170 /nfs/dbraw/zinc/48/91/70/1036489170.db2.gz YGMAURQWUGCZSH-NXEZZACHSA-N -1 1 312.207 3.920 20 0 DHADMM C/C(=C(/F)C(=O)Nc1cccc([O-])c1Br)C1CC1 ZINC000908717693 1036491823 /nfs/dbraw/zinc/49/18/23/1036491823.db2.gz MSUOWIKQDAILKX-GHXNOFRVSA-N -1 1 314.154 3.747 20 0 DHADMM CC(=O)c1ccc(NC(=S)Nc2ccc(F)c([O-])c2)cc1 ZINC001196555466 1036566241 /nfs/dbraw/zinc/56/62/41/1036566241.db2.gz AOKVFCVSMMSVPB-UHFFFAOYSA-N -1 1 304.346 3.543 20 0 DHADMM CC(=O)c1ccc(NC(=S)Nc2cccc(F)c2[O-])cc1 ZINC001196556195 1036568184 /nfs/dbraw/zinc/56/81/84/1036568184.db2.gz MVLJABGGWMIGKO-UHFFFAOYSA-N -1 1 304.346 3.543 20 0 DHADMM C[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)c1ccccc1 ZINC000005155103 1036615433 /nfs/dbraw/zinc/61/54/33/1036615433.db2.gz QMZGBNRRPGVSFB-MRVPVSSYSA-N -1 1 300.305 3.642 20 0 DHADMM [O-]c1cc(F)ccc1NC(=S)NCc1ccccc1Cl ZINC001196821076 1036626494 /nfs/dbraw/zinc/62/64/94/1036626494.db2.gz CGZJYZUWVCRHTM-UHFFFAOYSA-N -1 1 310.781 3.671 20 0 DHADMM [O-]c1c(F)cccc1NC(=S)NCc1ccccc1Cl ZINC001196824732 1036628740 /nfs/dbraw/zinc/62/87/40/1036628740.db2.gz OGXSOUUWRRPACO-UHFFFAOYSA-N -1 1 310.781 3.671 20 0 DHADMM COC(=O)c1nc2ccc(-c3cc(Cl)cc(OC)c3)cc2[nH]1 ZINC001205135830 1036699889 /nfs/dbraw/zinc/69/98/89/1036699889.db2.gz XZVGYQQYCOCNDH-UHFFFAOYSA-N -1 1 316.744 3.679 20 0 DHADMM COC(=O)c1nc2cc(-c3cc(Cl)cc(OC)c3)ccc2[n-]1 ZINC001205135830 1036699901 /nfs/dbraw/zinc/69/99/01/1036699901.db2.gz XZVGYQQYCOCNDH-UHFFFAOYSA-N -1 1 316.744 3.679 20 0 DHADMM COC(=O)c1nc2ccc(-c3cc(Cl)cc(OC)c3)cc2[n-]1 ZINC001205135830 1036699908 /nfs/dbraw/zinc/69/99/08/1036699908.db2.gz XZVGYQQYCOCNDH-UHFFFAOYSA-N -1 1 316.744 3.679 20 0 DHADMM Cc1nc(C(C)C)sc1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909974081 1036726777 /nfs/dbraw/zinc/72/67/77/1036726777.db2.gz FLTADEARCXZSRI-UHFFFAOYSA-N -1 1 312.341 3.811 20 0 DHADMM CCS[C@H]1CC[C@H](N(C)C(=O)c2c([O-])cccc2Cl)C1 ZINC000762568817 1036845047 /nfs/dbraw/zinc/84/50/47/1036845047.db2.gz JSMWKQRUEDLUNN-QWRGUYRKSA-N -1 1 313.850 3.792 20 0 DHADMM CC[C@H](C)c1ccc([N-]S(=O)(=O)c2ccc(C)nc2)cc1 ZINC001198265738 1036980596 /nfs/dbraw/zinc/98/05/96/1036980596.db2.gz JHLPBSYABWAQKE-LBPRGKRZSA-N -1 1 304.415 3.704 20 0 DHADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000910990582 1037022117 /nfs/dbraw/zinc/02/21/17/1037022117.db2.gz ZPLVNHWTWNJVFL-RNFRBKRXSA-N -1 1 309.234 3.588 20 0 DHADMM O=C(Nc1ccc(F)c(F)c1)Nc1ccc([O-])c(F)c1F ZINC001185089617 1037022516 /nfs/dbraw/zinc/02/25/16/1037022516.db2.gz JZEATHUIMAYOBO-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM CC(C)(C)OC1CC(CC(=O)Nc2cc(F)cc(F)c2[O-])C1 ZINC000910990024 1037023019 /nfs/dbraw/zinc/02/30/19/1037023019.db2.gz IPUVTPZXFOPDDV-UHFFFAOYSA-N -1 1 313.344 3.593 20 0 DHADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(C)c2ncccc12 ZINC000315933690 1037062382 /nfs/dbraw/zinc/06/23/82/1037062382.db2.gz RJZCUFBGBUUELA-UHFFFAOYSA-N -1 1 312.394 3.652 20 0 DHADMM C=CS(=O)(=O)[N-]c1c(C(F)(F)F)cccc1C(F)(F)F ZINC001198609178 1037082387 /nfs/dbraw/zinc/08/23/87/1037082387.db2.gz QMIIFAKIYLRCBZ-UHFFFAOYSA-N -1 1 319.226 3.609 20 0 DHADMM CCc1cccc([N-]S(=O)(=O)c2ccc3occc3c2)c1 ZINC001198861208 1037149540 /nfs/dbraw/zinc/14/95/40/1037149540.db2.gz HQQLWXPZTBPHSO-UHFFFAOYSA-N -1 1 301.367 3.796 20 0 DHADMM Cc1c(F)cc([N-]S(=O)(=O)c2ccc3occc3c2)cc1F ZINC001198858728 1037149706 /nfs/dbraw/zinc/14/97/06/1037149706.db2.gz HEDMNRVGAVWDAS-UHFFFAOYSA-N -1 1 323.320 3.820 20 0 DHADMM Clc1ncc([N-]c2noc3nccnc23)c(Cl)c1Cl ZINC001250198586 1037209411 /nfs/dbraw/zinc/20/94/11/1037209411.db2.gz YNABMJFXMVYBQC-UHFFFAOYSA-N -1 1 316.535 3.717 20 0 DHADMM Cc1cc2cc([N-]S(=O)(=O)c3cccc(F)c3C)ccc2o1 ZINC001185829279 1037246226 /nfs/dbraw/zinc/24/62/26/1037246226.db2.gz QCMNAZKKFPIVCH-UHFFFAOYSA-N -1 1 319.357 3.990 20 0 DHADMM COc1cccc(CCNC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000325967124 1037288878 /nfs/dbraw/zinc/28/88/78/1037288878.db2.gz SSLFDCIPXGZZHJ-UHFFFAOYSA-N -1 1 321.376 3.527 20 0 DHADMM O=C(c1cccc([S-])c1)N(Cc1cnc[nH]1)Cc1ccccc1 ZINC001186150075 1037325508 /nfs/dbraw/zinc/32/55/08/1037325508.db2.gz YYKFHIDPNUUJHR-UHFFFAOYSA-N -1 1 323.421 3.541 20 0 DHADMM COC(=O)c1cc(F)cc(Nc2c(F)ccc([O-])c2Cl)c1 ZINC001250232294 1037330639 /nfs/dbraw/zinc/33/06/39/1037330639.db2.gz IJSHYJYDLDZZIO-UHFFFAOYSA-N -1 1 313.687 3.854 20 0 DHADMM Cc1cc(NC(=O)c2ccc([O-])cc2F)c2ccsc2n1 ZINC001186318678 1037356946 /nfs/dbraw/zinc/35/69/46/1037356946.db2.gz PGIYSKOFLSOBPO-UHFFFAOYSA-N -1 1 302.330 3.702 20 0 DHADMM O=S(=O)([N-]c1cnccc1Cl)c1csc2ccccc21 ZINC001186452771 1037400750 /nfs/dbraw/zinc/40/07/50/1037400750.db2.gz ZTNIVGWHQIKLAB-UHFFFAOYSA-N -1 1 324.814 3.751 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)N[C@H]1CCCc2ccccc21 ZINC001186454059 1037402763 /nfs/dbraw/zinc/40/27/63/1037402763.db2.gz ZRGKHDOUCSVSMH-LBPRGKRZSA-N -1 1 318.323 3.870 20 0 DHADMM O=C(Nc1c([O-])cccc1F)N[C@@H]1CCCc2ccccc21 ZINC001186453526 1037403691 /nfs/dbraw/zinc/40/36/91/1037403691.db2.gz PKLPWFUJGITKSM-CQSZACIVSA-N -1 1 300.333 3.730 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)N[C@H]1CCCc2ccccc21 ZINC001186458979 1037422570 /nfs/dbraw/zinc/42/25/70/1037422570.db2.gz WPHQVBCTIWOJFG-AWEZNQCLSA-N -1 1 318.323 3.870 20 0 DHADMM O=C(Nc1cc(F)c(F)cc1[O-])N[C@@H]1CCCc2ccccc21 ZINC001186458281 1037422836 /nfs/dbraw/zinc/42/28/36/1037422836.db2.gz RXBSGPOYYSIAKH-CQSZACIVSA-N -1 1 318.323 3.870 20 0 DHADMM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F ZINC001201279607 1037582277 /nfs/dbraw/zinc/58/22/77/1037582277.db2.gz LXZLBFXKSOHYGO-SSDOTTSWSA-N -1 1 314.209 3.599 20 0 DHADMM Cc1nc([C@H]2CCCN2C(=O)c2c([O-])cccc2Cl)cs1 ZINC000775108738 1037611218 /nfs/dbraw/zinc/61/12/18/1037611218.db2.gz WKAMSZSXTLEZHK-GFCCVEGCSA-N -1 1 322.817 3.788 20 0 DHADMM Cc1c(Nc2ccnc(Cl)c2[O-])cnn1-c1ccccc1 ZINC001201368326 1037615949 /nfs/dbraw/zinc/61/59/49/1037615949.db2.gz KVRZRZLNXZESLQ-UHFFFAOYSA-N -1 1 300.749 3.678 20 0 DHADMM Cc1c(Nc2ccc(F)c(F)c2[O-])cnn1-c1ccccc1 ZINC001201376883 1037641332 /nfs/dbraw/zinc/64/13/32/1037641332.db2.gz CNPWCRMEWGHMID-UHFFFAOYSA-N -1 1 301.296 3.908 20 0 DHADMM CCOc1ncc(Cl)cc1Nc1ccnc(Cl)c1[O-] ZINC001201509642 1037731062 /nfs/dbraw/zinc/73/10/62/1037731062.db2.gz YMEYSKQSEDFAGJ-UHFFFAOYSA-N -1 1 300.145 3.631 20 0 DHADMM [O-]c1cccc(CNc2cncc(Br)c2)c1Cl ZINC000328484357 1037823242 /nfs/dbraw/zinc/82/32/42/1037823242.db2.gz SSTDVLZBILBYBJ-UHFFFAOYSA-N -1 1 313.582 3.815 20 0 DHADMM CCCc1cc(=O)[n-]c(SCc2cnc(Cl)c(F)c2)n1 ZINC001188161502 1037844777 /nfs/dbraw/zinc/84/47/77/1037844777.db2.gz AUMFFGMRCDDAMM-UHFFFAOYSA-N -1 1 313.785 3.615 20 0 DHADMM CSc1nc(NC(=O)c2ccc(C(C)(C)C)s2)cc(=O)[n-]1 ZINC001188244897 1037848751 /nfs/dbraw/zinc/84/87/51/1037848751.db2.gz ABYZDOHHQVNFTQ-UHFFFAOYSA-N -1 1 323.443 3.515 20 0 DHADMM O=C(Nc1ccc2cc(F)ccc2c1)c1ncc(C(F)(F)F)[n-]1 ZINC001188288628 1037856466 /nfs/dbraw/zinc/85/64/66/1037856466.db2.gz GVASMEANVIDQHO-UHFFFAOYSA-N -1 1 323.249 3.973 20 0 DHADMM O=C(Nc1ccc2cc(F)ccc2c1)c1nc(C(F)(F)F)c[n-]1 ZINC001188288628 1037856480 /nfs/dbraw/zinc/85/64/80/1037856480.db2.gz GVASMEANVIDQHO-UHFFFAOYSA-N -1 1 323.249 3.973 20 0 DHADMM C[C@H](C1CC1)N(C(=O)c1cnc(C2CC2)[n-]c1=O)c1ccccc1 ZINC000913432452 1037863255 /nfs/dbraw/zinc/86/32/55/1037863255.db2.gz RPIJHKLJDFEDON-GFCCVEGCSA-N -1 1 323.396 3.505 20 0 DHADMM O=C(Nc1c[nH]c2cccnc12)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188572983 1037933165 /nfs/dbraw/zinc/93/31/65/1037933165.db2.gz ZABJMAFZVTXBBW-UHFFFAOYSA-N -1 1 321.258 3.540 20 0 DHADMM Cc1cc(Cl)c(Cl)c([N-]S(=O)(=O)c2ccoc2)c1 ZINC001188617560 1037933535 /nfs/dbraw/zinc/93/35/35/1037933535.db2.gz LWTQJUXZUZHRPN-UHFFFAOYSA-N -1 1 306.170 3.696 20 0 DHADMM O=C(Nc1ccc(F)cc1F)Nc1cc(F)cc(F)c1[O-] ZINC001202023059 1037969246 /nfs/dbraw/zinc/96/92/46/1037969246.db2.gz YCWIRLDRZGZZDR-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM CCCC(=O)Nc1cccc(NC(=O)c2ccccc2[O-])c1C ZINC000067499696 1038225201 /nfs/dbraw/zinc/22/52/01/1038225201.db2.gz CPTQPSAHMBMOCG-UHFFFAOYSA-N -1 1 312.369 3.692 20 0 DHADMM C[C@@H]1CCC[C@H](C)[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001190126537 1038271361 /nfs/dbraw/zinc/27/13/61/1038271361.db2.gz DJBUUUVKWUIJOO-MSRIBSCDSA-N -1 1 319.829 3.582 20 0 DHADMM Cc1[n-][nH]c(=O)c1NC(=O)C1(C2CCCCC2)CCCCC1 ZINC000615219593 1038294875 /nfs/dbraw/zinc/29/48/75/1038294875.db2.gz ARZURDPBHPJBHA-UHFFFAOYSA-N -1 1 305.422 3.893 20 0 DHADMM O=C(NCCCc1ccccc1)Nc1ccc(Cl)cc1[O-] ZINC001191199821 1038460677 /nfs/dbraw/zinc/46/06/77/1038460677.db2.gz IVYFSLQTVVGGNJ-UHFFFAOYSA-N -1 1 304.777 3.800 20 0 DHADMM CCCCc1ccc(S(=O)(=O)[N-]c2nc(C)ccc2F)cc1 ZINC001191232396 1038473725 /nfs/dbraw/zinc/47/37/25/1038473725.db2.gz GEILYFPQMYWCIY-UHFFFAOYSA-N -1 1 322.405 3.673 20 0 DHADMM Cc1cccc(C)c1Oc1ccccc1[N-]S(=O)(=O)C1CC1 ZINC000589435277 1038485301 /nfs/dbraw/zinc/48/53/01/1038485301.db2.gz FZNIGTYKZYGWIX-UHFFFAOYSA-N -1 1 317.410 4.000 20 0 DHADMM CC(C)(C)c1ccc(C(=O)Nc2cc3ccccn3n2)c([O-])c1 ZINC001192314376 1038624197 /nfs/dbraw/zinc/62/41/97/1038624197.db2.gz OECRMFSZUGYAMP-UHFFFAOYSA-N -1 1 309.369 3.590 20 0 DHADMM Cc1ccccc1CC(C)(C)NC(=O)c1c(F)ccc([O-])c1F ZINC001192555784 1038671892 /nfs/dbraw/zinc/67/18/92/1038671892.db2.gz CPEBJWYFVVYPHJ-UHFFFAOYSA-N -1 1 319.351 3.730 20 0 DHADMM O=C(Nc1cc(Cl)cc2ncoc21)c1c(F)ccc([O-])c1F ZINC001192539156 1038678745 /nfs/dbraw/zinc/67/87/45/1038678745.db2.gz GMWNJOJXOUTFTO-UHFFFAOYSA-N -1 1 324.670 3.717 20 0 DHADMM O=C([O-])C[C@H](NCc1c(F)cccc1Cl)c1cccs1 ZINC000037088201 1039157861 /nfs/dbraw/zinc/15/78/61/1039157861.db2.gz HNYTVQVTTJHLEE-LBPRGKRZSA-N -1 1 313.781 3.846 20 0 DHADMM CC1(C)CN(C(=O)c2ccc3ccccc3c2[O-])C(C)(C)CO1 ZINC000604237906 1039411196 /nfs/dbraw/zinc/41/11/96/1039411196.db2.gz LSCUQEHLTIMODL-UHFFFAOYSA-N -1 1 313.397 3.575 20 0 DHADMM CCC[C@@H]1CN(Cc2c3ccccc3sc2C(=O)[O-])CCO1 ZINC000574213006 1039421249 /nfs/dbraw/zinc/42/12/49/1039421249.db2.gz IKJIZWYGKKDNMN-GFCCVEGCSA-N -1 1 319.426 3.600 20 0 DHADMM Cc1cnc(SCC(=O)c2c(C)c(C)cc(C)c2C)[n-]c1=O ZINC000574220447 1039426440 /nfs/dbraw/zinc/42/64/40/1039426440.db2.gz JEKWLZAFMPLDNR-UHFFFAOYSA-N -1 1 316.426 3.699 20 0 DHADMM CCSc1nnc([N-]C(=O)c2cc3cc(F)ccc3o2)s1 ZINC000605078040 1039624431 /nfs/dbraw/zinc/62/44/31/1039624431.db2.gz HOFGBFWRBKOFAX-UHFFFAOYSA-N -1 1 323.374 3.788 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1ccc(Oc2cccnc2)cc1 ZINC000605436121 1039680889 /nfs/dbraw/zinc/68/08/89/1039680889.db2.gz KDPKUGNVTOSDNN-UHFFFAOYSA-N -1 1 324.311 3.971 20 0 DHADMM Cc1cc(C(=O)CCC(=O)Nc2c([O-])cccc2F)c(C)s1 ZINC000605437050 1039682365 /nfs/dbraw/zinc/68/23/65/1039682365.db2.gz OBZXNZGOOOGJED-UHFFFAOYSA-N -1 1 321.373 3.811 20 0 DHADMM C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000606318876 1039825349 /nfs/dbraw/zinc/82/53/49/1039825349.db2.gz WEESGQVOWXMUMF-SNVBAGLBSA-N -1 1 319.763 3.944 20 0 DHADMM O=C(Nc1c([O-])cccc1F)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000608366277 1040474910 /nfs/dbraw/zinc/47/49/10/1040474910.db2.gz HPAAXHCKGPAONJ-UWVGGRQHSA-N -1 1 307.271 3.552 20 0 DHADMM Cc1[n-][nH]c(=O)c1NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000646409651 1040678215 /nfs/dbraw/zinc/67/82/15/1040678215.db2.gz PZEVKYHPKGOBOH-UHFFFAOYSA-N -1 1 321.380 3.584 20 0 DHADMM O=C(NC12CCC(CC1)CC2)c1ccc(Br)c([O-])c1 ZINC000456284841 1040773037 /nfs/dbraw/zinc/77/30/37/1040773037.db2.gz QSJUJVWLFNRHTG-UHFFFAOYSA-N -1 1 324.218 3.607 20 0 DHADMM CC(C)CCc1ccc(NC(=O)c2c(F)ccc([O-])c2F)nc1 ZINC000456777979 1040914236 /nfs/dbraw/zinc/91/42/36/1040914236.db2.gz GFADRQLPGCRWRH-UHFFFAOYSA-N -1 1 320.339 3.906 20 0 DHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2cc(C)cc(Cl)c2)o1 ZINC000417561398 334979334 /nfs/dbraw/zinc/97/93/34/334979334.db2.gz BGKJDQMKTRIOIZ-AWEZNQCLSA-N -1 1 307.777 3.855 20 0 DHADMM Cc1cc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)cs1 ZINC000417573002 334992275 /nfs/dbraw/zinc/99/22/75/334992275.db2.gz ZIFODYDFQJAIRP-AWEZNQCLSA-N -1 1 311.353 3.640 20 0 DHADMM COc1cccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)c1 ZINC000006348421 181333150 /nfs/dbraw/zinc/33/31/50/181333150.db2.gz PTNNQPXPZARUDQ-UHFFFAOYSA-N -1 1 319.426 3.730 20 0 DHADMM CC[C@@H](c1ccncc1)N(CC)C(=O)c1cc(F)ccc1[O-] ZINC000091728286 193098556 /nfs/dbraw/zinc/09/85/56/193098556.db2.gz SVEZRDYRGQJLPY-HNNXBMFYSA-N -1 1 302.349 3.540 20 0 DHADMM O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1cccs1 ZINC000016101623 182034286 /nfs/dbraw/zinc/03/42/86/182034286.db2.gz VUMGKBXOKPGUES-UHFFFAOYSA-N -1 1 308.211 3.856 20 0 DHADMM CCc1ccc(CN[C@H](C(=O)[O-])C(C2CCC2)C2CCC2)o1 ZINC000417643802 335027283 /nfs/dbraw/zinc/02/72/83/335027283.db2.gz AXPOWRPGOJXQRJ-KRWDZBQOSA-N -1 1 305.418 3.601 20 0 DHADMM CCc1ccc(CN[C@@H](C(=O)[O-])C(C2CCC2)C2CCC2)o1 ZINC000417643806 335027434 /nfs/dbraw/zinc/02/74/34/335027434.db2.gz AXPOWRPGOJXQRJ-QGZVFWFLSA-N -1 1 305.418 3.601 20 0 DHADMM CC(C)c1nc(Cc2noc(-c3cc(F)ccc3[O-])n2)cs1 ZINC000273938284 130189226 /nfs/dbraw/zinc/18/92/26/130189226.db2.gz SYUDFPDLHCABHB-UHFFFAOYSA-N -1 1 319.361 3.752 20 0 DHADMM c1coc(-c2cc(-c3nc([C@H]4CCCCS4)no3)[nH]n2)c1 ZINC000273957143 130191660 /nfs/dbraw/zinc/19/16/60/130191660.db2.gz JHBZATYUZJLELZ-GFCCVEGCSA-N -1 1 302.359 3.678 20 0 DHADMM C[C@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1ncccc1[O-] ZINC000275092144 130291715 /nfs/dbraw/zinc/29/17/15/130291715.db2.gz CPFURHJSWVMDDD-SNVBAGLBSA-N -1 1 324.302 3.639 20 0 DHADMM CN(C(=O)c1ccc(Cl)cc1[O-])C1CCC(F)(F)CC1 ZINC000289105760 131359042 /nfs/dbraw/zinc/35/90/42/131359042.db2.gz VXMRBBUHXAGWLS-UHFFFAOYSA-N -1 1 303.736 3.696 20 0 DHADMM C[C@H](NCc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)[O-] ZINC000340691537 132159155 /nfs/dbraw/zinc/15/91/55/132159155.db2.gz PUVHOBPIETVQBK-QMMMGPOBSA-N -1 1 314.168 3.816 20 0 DHADMM CC1(C)CN(C(=O)c2ccc([O-])cc2F)CC[C@@H]1C(F)(F)F ZINC000190722339 335065757 /nfs/dbraw/zinc/06/57/57/335065757.db2.gz XTCVAKVSWDSKPR-LBPRGKRZSA-N -1 1 319.298 3.582 20 0 DHADMM Cc1cc2c(cc1C)O[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)C2 ZINC000173380212 332829266 /nfs/dbraw/zinc/82/92/66/332829266.db2.gz NQIFCULCBPIEBA-INIZCTEOSA-N -1 1 317.772 3.605 20 0 DHADMM [O-]c1ccc(-c2nc(-c3cnc4ccsc4c3)no2)c(F)c1 ZINC000318481170 332880166 /nfs/dbraw/zinc/88/01/66/332880166.db2.gz ZZVCMAMFBVLIDL-UHFFFAOYSA-N -1 1 313.313 3.858 20 0 DHADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2C)c1 ZINC000126140436 331590359 /nfs/dbraw/zinc/59/03/59/331590359.db2.gz CWTCREVXPUIVCV-UHFFFAOYSA-N -1 1 321.373 3.528 20 0 DHADMM CCc1nc(SCCOc2cccc(C)c2)[n-]c(=O)c1C ZINC000568883530 331810824 /nfs/dbraw/zinc/81/08/24/331810824.db2.gz LODFLTGHRWYWJH-UHFFFAOYSA-N -1 1 304.415 3.533 20 0 DHADMM CCCC[C@H](C)N(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000311179712 331822545 /nfs/dbraw/zinc/82/25/45/331822545.db2.gz XWQLDYXCFVEJOU-JTQLQIEISA-N -1 1 314.223 3.805 20 0 DHADMM CC1=C[C@@H](C)CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000559053976 331968735 /nfs/dbraw/zinc/96/87/35/331968735.db2.gz PJKCWXCYUBUZBK-SNVBAGLBSA-N -1 1 316.788 3.632 20 0 DHADMM O=C(Nc1ccccc1OCC1CC1)c1cc(F)ccc1[O-] ZINC000091732805 332082605 /nfs/dbraw/zinc/08/26/05/332082605.db2.gz AMNYCYYHNHLVKP-UHFFFAOYSA-N -1 1 301.317 3.572 20 0 DHADMM CC[C@@H]1CCCCN1C(=O)c1ccc(Br)c([O-])c1 ZINC000133093614 332136522 /nfs/dbraw/zinc/13/65/22/332136522.db2.gz QAMDCFUPZQWSKG-LLVKDONJSA-N -1 1 312.207 3.559 20 0 DHADMM O=C([O-])[C@@H](NCc1cc(F)cc(Cl)c1)c1ccccc1F ZINC000426779624 332152204 /nfs/dbraw/zinc/15/22/04/332152204.db2.gz JQNJPZXFHUEZBY-AWEZNQCLSA-N -1 1 311.715 3.534 20 0 DHADMM O=C([O-])[C@@H](NCc1ccc(Cl)cc1Cl)c1ccsc1 ZINC000426782532 332152648 /nfs/dbraw/zinc/15/26/48/332152648.db2.gz GNQNCFSBKJGIKE-LBPRGKRZSA-N -1 1 316.209 3.970 20 0 DHADMM Cc1cc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc2cccnc12 ZINC000426788693 332153457 /nfs/dbraw/zinc/15/34/57/332153457.db2.gz OTSVUXBDYQBFNB-GOSISDBHSA-N -1 1 324.355 3.598 20 0 DHADMM CC[C@H]1CN(C(=O)c2ncc(C)cc2[O-])CC[C@H]1c1ccccc1 ZINC000427259804 332191041 /nfs/dbraw/zinc/19/10/41/332191041.db2.gz YKJNHZNYVUJLKW-DOTOQJQBSA-N -1 1 324.424 3.752 20 0 DHADMM COc1c(C)cc(CN(C)Cc2cc(C(=O)[O-])c(C)o2)cc1C ZINC000573855787 332284280 /nfs/dbraw/zinc/28/42/80/332284280.db2.gz WFRONECRZUIJEO-UHFFFAOYSA-N -1 1 317.385 3.544 20 0 DHADMM Cc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1-c1ncco1 ZINC000150943689 332460523 /nfs/dbraw/zinc/46/05/23/332460523.db2.gz SEFAFODCBXCJRQ-UHFFFAOYSA-N -1 1 312.300 3.747 20 0 DHADMM Cc1ccc(CS(=O)(=O)[N-]c2ccc(C3CCC3)cn2)cc1 ZINC000562540956 332602998 /nfs/dbraw/zinc/60/29/98/332602998.db2.gz PLEHHTNTHHITTO-UHFFFAOYSA-N -1 1 316.426 3.599 20 0 DHADMM COc1ccc(C)cc1CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000569668136 332656306 /nfs/dbraw/zinc/65/63/06/332656306.db2.gz VYZNIMGEMMOEIN-UHFFFAOYSA-N -1 1 302.399 3.669 20 0 DHADMM Cn1cccc1[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000180352051 333027778 /nfs/dbraw/zinc/02/77/78/333027778.db2.gz DDJHYFYRDHIQTB-GOSISDBHSA-N -1 1 320.392 3.861 20 0 DHADMM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC[C@@H]1C ZINC000180853772 333028698 /nfs/dbraw/zinc/02/86/98/333028698.db2.gz VATDHMIDZXKWBF-UWVGGRQHSA-N -1 1 301.308 3.529 20 0 DHADMM O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)c1ccc([O-])cc1F ZINC000181227946 333029843 /nfs/dbraw/zinc/02/98/43/333029843.db2.gz WNNXPLCYHASISK-KSSFIOAISA-N -1 1 313.372 3.673 20 0 DHADMM CCOc1ccc(OCC)c(NC(=O)c2ccc([O-])cc2F)c1 ZINC000181848357 333035003 /nfs/dbraw/zinc/03/50/03/333035003.db2.gz LRUBYMOBWQTNJP-UHFFFAOYSA-N -1 1 319.332 3.581 20 0 DHADMM Cc1cccc(O)c1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000183033452 333051719 /nfs/dbraw/zinc/05/17/19/333051719.db2.gz JHOHNAGSRIAESU-UHFFFAOYSA-N -1 1 311.259 3.677 20 0 DHADMM COc1cccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c1 ZINC000460412607 333081227 /nfs/dbraw/zinc/08/12/27/333081227.db2.gz PHJQOEHXKHXUHD-UHFFFAOYSA-N -1 1 319.426 3.794 20 0 DHADMM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000318971573 333235520 /nfs/dbraw/zinc/23/55/20/333235520.db2.gz DWGHESYFBZOUCD-GFCCVEGCSA-N -1 1 323.389 3.804 20 0 DHADMM Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C)ccc2Cl)c1 ZINC000498009830 333320453 /nfs/dbraw/zinc/32/04/53/333320453.db2.gz XIUTUOGTWLYNBM-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM COc1cc(-c2noc(-c3ccc4ccccc4c3[O-])n2)ccn1 ZINC000184870908 333367817 /nfs/dbraw/zinc/36/78/17/333367817.db2.gz YOKHFCFOLKISSI-UHFFFAOYSA-N -1 1 319.320 3.666 20 0 DHADMM CCOc1ccc([N-]S(=O)(=O)c2ccccc2CC)cc1F ZINC000488274178 333369397 /nfs/dbraw/zinc/36/93/97/333369397.db2.gz SIHVIROMUDPJEM-UHFFFAOYSA-N -1 1 323.389 3.588 20 0 DHADMM O=C(NC1(Cc2ccccc2)CCCC1)c1ccc([O-])cc1F ZINC000185301696 333369679 /nfs/dbraw/zinc/36/96/79/333369679.db2.gz WVZGHKBPMRNFKW-UHFFFAOYSA-N -1 1 313.372 3.817 20 0 DHADMM O=C(Nc1ccc2c(c1)OCO2)c1ccc2ccccc2c1[O-] ZINC000320290958 333498451 /nfs/dbraw/zinc/49/84/51/333498451.db2.gz INBSSSBIQLPEEZ-UHFFFAOYSA-N -1 1 307.305 3.526 20 0 DHADMM CCc1ccc(C(=O)CCC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000531755706 333553639 /nfs/dbraw/zinc/55/36/39/333553639.db2.gz XHXGYRLTJLYQIF-UHFFFAOYSA-N -1 1 315.344 3.695 20 0 DHADMM CCC[C@@H]1SCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436753876 333996896 /nfs/dbraw/zinc/99/68/96/333996896.db2.gz WFZUVCRSCUEELA-LBPRGKRZSA-N -1 1 319.348 3.726 20 0 DHADMM CN(Cc1cccc2ccccc21)C(=O)c1ccc([O-])cc1F ZINC000436872674 334013969 /nfs/dbraw/zinc/01/39/69/334013969.db2.gz UWPNLDAUNVUGDU-UHFFFAOYSA-N -1 1 309.340 3.957 20 0 DHADMM CCOc1cc(C(=O)[N-]c2sccc2C(=O)C(C)(C)C)on1 ZINC000297699758 334243174 /nfs/dbraw/zinc/24/31/74/334243174.db2.gz MNUPEBWPURBBCG-UHFFFAOYSA-N -1 1 322.386 3.616 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(OC(F)(F)F)cc1 ZINC000532012962 334373808 /nfs/dbraw/zinc/37/38/08/334373808.db2.gz RGQVIFGQBYIVPD-UHFFFAOYSA-N -1 1 315.222 3.682 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1cc(-c2ccc(F)cc2)on1 ZINC000532012806 334373901 /nfs/dbraw/zinc/37/39/01/334373901.db2.gz GPPQLOQUSAGJOM-UHFFFAOYSA-N -1 1 316.263 3.578 20 0 DHADMM C[C@@H](CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C(C)(C)C ZINC000343094581 334599090 /nfs/dbraw/zinc/59/90/90/334599090.db2.gz ORIHCHIGUGOIPA-NSHDSACASA-N -1 1 301.390 3.793 20 0 DHADMM C[C@H](CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C(C)(C)C ZINC000343094579 334599228 /nfs/dbraw/zinc/59/92/28/334599228.db2.gz ORIHCHIGUGOIPA-LLVKDONJSA-N -1 1 301.390 3.793 20 0 DHADMM COc1cccc(SC)c1[N-]C(=O)c1cc(C(C)C)on1 ZINC000416127109 334653143 /nfs/dbraw/zinc/65/31/43/334653143.db2.gz YSFDQLVMUPLTKI-UHFFFAOYSA-N -1 1 306.387 3.781 20 0 DHADMM CCOc1cc(C(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)cc(Cl)c1[O-] ZINC000416319418 334662969 /nfs/dbraw/zinc/66/29/69/334662969.db2.gz NAHCWWUSWOTXNC-AXFHLTTASA-N -1 1 311.809 3.561 20 0 DHADMM COc1cccc(SC)c1[N-]C(=O)c1nnc(C(C)C)s1 ZINC000416355784 334665572 /nfs/dbraw/zinc/66/55/72/334665572.db2.gz CRDSLULRTJODRH-UHFFFAOYSA-N -1 1 323.443 3.644 20 0 DHADMM C[C@H](NC(=O)c1cncc([O-])c1)c1cccc(Cl)c1Cl ZINC000344722853 335271525 /nfs/dbraw/zinc/27/15/25/335271525.db2.gz TYPBVKUGLFDMKV-QMMMGPOBSA-N -1 1 311.168 3.585 20 0 DHADMM O=C(CCC(=O)c1cccc(F)c1)Nc1ccc([O-])c(Cl)c1 ZINC000348102673 335553577 /nfs/dbraw/zinc/55/35/77/335553577.db2.gz BCCAVXRTQIEQBN-UHFFFAOYSA-N -1 1 321.735 3.786 20 0 DHADMM [O-]c1ccc(-c2noc([C@H]3Cc4ccccc4S3)n2)cc1F ZINC000445476807 338496127 /nfs/dbraw/zinc/49/61/27/338496127.db2.gz INJCCDJPVNYBBY-CQSZACIVSA-N -1 1 314.341 3.971 20 0 DHADMM [O-]c1ccc(-c2noc(/C=C\c3ccc(F)cc3)n2)cc1F ZINC000445483713 338496561 /nfs/dbraw/zinc/49/65/61/338496561.db2.gz UBLJBRYXZWFXBS-BAQGIRSFSA-N -1 1 300.264 3.891 20 0 DHADMM Cc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c(O)c1C ZINC000445486859 338496857 /nfs/dbraw/zinc/49/68/57/338496857.db2.gz PTLSLEIZTBFOCQ-UHFFFAOYSA-N -1 1 300.289 3.571 20 0 DHADMM C[C@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])CCS1 ZINC000191933849 336005393 /nfs/dbraw/zinc/00/53/93/336005393.db2.gz KODMAEWFSCLTLH-LBPRGKRZSA-N -1 1 301.411 3.513 20 0 DHADMM CO[C@](C)(C(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1F ZINC000192184747 336018105 /nfs/dbraw/zinc/01/81/05/336018105.db2.gz KSQDWOJNUSOIRX-INIZCTEOSA-N -1 1 323.751 3.685 20 0 DHADMM Cc1ccc(OC2CC[NH+](Cc3cc(O)cc(F)c3)CC2)cc1 ZINC000351997620 336187215 /nfs/dbraw/zinc/18/72/15/336187215.db2.gz VJOKPTITOLJNCP-UHFFFAOYSA-N -1 1 315.388 3.883 20 0 DHADMM CC(C)(C)c1cc(CSc2nc(C3CC3)cc(=O)[n-]2)no1 ZINC000333700965 336208348 /nfs/dbraw/zinc/20/83/48/336208348.db2.gz OBHYDDCMPOLDRX-UHFFFAOYSA-N -1 1 305.403 3.637 20 0 DHADMM Cc1nc(-c2ccc(NC[C@H]3CC=CCC3)nc2)[n-]c(=O)c1C ZINC000301370452 336303009 /nfs/dbraw/zinc/30/30/09/336303009.db2.gz PIQFFBGLMOESDX-AWEZNQCLSA-N -1 1 310.401 3.629 20 0 DHADMM CCCCCCNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301375875 336303255 /nfs/dbraw/zinc/30/32/55/336303255.db2.gz VSBMPJOUGFORCM-UHFFFAOYSA-N -1 1 300.406 3.853 20 0 DHADMM Cc1nc(-c2ccc(N3CCCCCCC3)nc2)[n-]c(=O)c1C ZINC000301377428 336303408 /nfs/dbraw/zinc/30/34/08/336303408.db2.gz WQWZIYLWFFHXLL-UHFFFAOYSA-N -1 1 312.417 3.632 20 0 DHADMM COc1cccc(-c2noc([N-][C@H](C)c3ncc(C)s3)n2)c1 ZINC000301550739 336314175 /nfs/dbraw/zinc/31/41/75/336314175.db2.gz MEVGWSMAAAXODF-SNVBAGLBSA-N -1 1 316.386 3.683 20 0 DHADMM CC[C@H](C)[C@H](C)Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301760504 336328268 /nfs/dbraw/zinc/32/82/68/336328268.db2.gz MARVGCCAYQCYFI-JQWIXIFHSA-N -1 1 300.406 3.708 20 0 DHADMM Cc1ncoc1C(=O)[N-]c1cc(F)ccc1SCC(F)F ZINC000353004893 336381819 /nfs/dbraw/zinc/38/18/19/336381819.db2.gz BJQMGDHYSGULBP-UHFFFAOYSA-N -1 1 316.304 3.732 20 0 DHADMM O=C(Nc1ccc(OC(F)F)cc1)c1c(F)ccc([O-])c1F ZINC000355408437 336507715 /nfs/dbraw/zinc/50/77/15/336507715.db2.gz NOLCWINFNAYIBD-UHFFFAOYSA-N -1 1 315.222 3.524 20 0 DHADMM CCOc1cc(C(=O)N2CCC[C@H](CC)C2)cc(Cl)c1[O-] ZINC000358115439 336612178 /nfs/dbraw/zinc/61/21/78/336612178.db2.gz CDLHZCKNISDGCZ-NSHDSACASA-N -1 1 311.809 3.707 20 0 DHADMM CCOc1cc(C(=O)N(CC2CC2)C2CCC2)cc(Cl)c1[O-] ZINC000358383682 336627565 /nfs/dbraw/zinc/62/75/65/336627565.db2.gz RMGVDMMJZLPGLH-UHFFFAOYSA-N -1 1 323.820 3.849 20 0 DHADMM CCSc1cccc(F)c1[N-]C(=O)c1ccnc(C2CC2)n1 ZINC000362185440 336787161 /nfs/dbraw/zinc/78/71/61/336787161.db2.gz LCGUTYCZPZKNJZ-UHFFFAOYSA-N -1 1 317.389 3.857 20 0 DHADMM Cc1nc(-c2ccc(N3CC4(CCC4)C[C@H]3C)nc2)[n-]c(=O)c1C ZINC000373020670 336945949 /nfs/dbraw/zinc/94/59/49/336945949.db2.gz QIMRJDKVMFDGBZ-GFCCVEGCSA-N -1 1 324.428 3.630 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)cc1 ZINC000008697849 336959942 /nfs/dbraw/zinc/95/99/42/336959942.db2.gz YWIMQRQSXXFXIN-UHFFFAOYSA-N -1 1 312.394 3.598 20 0 DHADMM C[C@H]1CC2(CCC2)CN1C(=O)c1cc(Br)ccc1[O-] ZINC000377197193 337048633 /nfs/dbraw/zinc/04/86/33/337048633.db2.gz LEISWPJSFHICJE-JTQLQIEISA-N -1 1 324.218 3.559 20 0 DHADMM O=S(=O)([N-]c1ccncc1)c1ccc(-c2ccccc2)cc1 ZINC000177663905 337158450 /nfs/dbraw/zinc/15/84/50/337158450.db2.gz MDOAREPYWSZGTK-UHFFFAOYSA-N -1 1 310.378 3.549 20 0 DHADMM CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(Br)c([O-])c1 ZINC000221917964 337174038 /nfs/dbraw/zinc/17/40/38/337174038.db2.gz DGXMFNLFZMAACX-GXSJLCMTSA-N -1 1 312.207 3.558 20 0 DHADMM O=C(CCSCc1ccccn1)Nc1ccc([O-])c(Cl)c1 ZINC000182872220 337190429 /nfs/dbraw/zinc/19/04/29/337190429.db2.gz MMKSEADMMYLLLL-UHFFFAOYSA-N -1 1 322.817 3.703 20 0 DHADMM Cc1ccc(C(=O)Nc2cc(C)cc(Br)c2[O-])o1 ZINC000182909812 337190704 /nfs/dbraw/zinc/19/07/04/337190704.db2.gz LKOUQFQRQYUBLU-UHFFFAOYSA-N -1 1 310.147 3.617 20 0 DHADMM CCOc1cc(C(=O)N2CCCC(C)(C)C2)cc(Cl)c1[O-] ZINC000186808898 337259970 /nfs/dbraw/zinc/25/99/70/337259970.db2.gz UUXLFAYQBMSJMK-UHFFFAOYSA-N -1 1 311.809 3.707 20 0 DHADMM CCOc1cc(C(=O)N2C[C@@H](C)CC[C@H]2C)cc(Cl)c1[O-] ZINC000186843070 337260695 /nfs/dbraw/zinc/26/06/95/337260695.db2.gz GNXBJGFBJSHOEQ-WDEREUQCSA-N -1 1 311.809 3.705 20 0 DHADMM CCOc1cc(C(=O)NCC2(C(C)C)CC2)cc(Cl)c1[O-] ZINC000186857224 337260734 /nfs/dbraw/zinc/26/07/34/337260734.db2.gz WFVLNHXLKKZEEY-UHFFFAOYSA-N -1 1 311.809 3.610 20 0 DHADMM CCOc1cc(-c2nc([C@H]3CC[C@H](C)O3)no2)cc(Cl)c1[O-] ZINC000528234364 337797435 /nfs/dbraw/zinc/79/74/35/337797435.db2.gz KEVAQXCBVZRHRK-GZMMTYOYSA-N -1 1 324.764 3.734 20 0 DHADMM Cc1ccc(OCc2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445448280 337852242 /nfs/dbraw/zinc/85/22/42/337852242.db2.gz KPEDXFBMWLOSQI-UHFFFAOYSA-N -1 1 316.744 3.983 20 0 DHADMM C[C@@H](OCc1ccccc1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111666101 337986800 /nfs/dbraw/zinc/98/68/00/337986800.db2.gz ZUQYLVVHTMLXSD-LLVKDONJSA-N -1 1 305.761 3.589 20 0 DHADMM COc1cccc(Cc2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445450877 338015713 /nfs/dbraw/zinc/01/57/13/338015713.db2.gz XTODHQYFKHPPFJ-UHFFFAOYSA-N -1 1 316.744 3.695 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3cccc(F)c3)n2)c(Cl)c1 ZINC000445452167 338016629 /nfs/dbraw/zinc/01/66/29/338016629.db2.gz AJIFQWJLXSNTJU-UHFFFAOYSA-N -1 1 304.708 3.826 20 0 DHADMM [O-]c1ccc(-c2noc(CCc3ccc(O)cc3)n2)c(Cl)c1 ZINC000445452709 338016775 /nfs/dbraw/zinc/01/67/75/338016775.db2.gz TULGCXSYMDYZSZ-UHFFFAOYSA-N -1 1 316.744 3.586 20 0 DHADMM Cc1[nH]c2ccccc2c1Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000445455073 338017202 /nfs/dbraw/zinc/01/72/02/338017202.db2.gz BUKWWECNHIUKGP-UHFFFAOYSA-N -1 1 323.327 3.962 20 0 DHADMM CCC(=O)c1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445457568 338018326 /nfs/dbraw/zinc/01/83/26/338018326.db2.gz SYAMDUZZBVQLME-UHFFFAOYSA-N -1 1 312.300 3.841 20 0 DHADMM [O-]c1ccc(-c2noc(C(F)(F)c3ccccc3)n2)c(F)c1 ZINC000445463884 338032086 /nfs/dbraw/zinc/03/20/86/338032086.db2.gz QYVHEGNABKHOFT-UHFFFAOYSA-N -1 1 306.243 3.721 20 0 DHADMM Cc1nc(CNCc2ccc3ccccc3c2)ccc1C(=O)[O-] ZINC000426653274 338037198 /nfs/dbraw/zinc/03/71/98/338037198.db2.gz ZWJKHFZIEDCAIN-UHFFFAOYSA-N -1 1 306.365 3.531 20 0 DHADMM Cc1nc(CNCc2cc3ccccc3s2)ccc1C(=O)[O-] ZINC000426655917 338037228 /nfs/dbraw/zinc/03/72/28/338037228.db2.gz GBXAEYCXCKSURA-UHFFFAOYSA-N -1 1 312.394 3.593 20 0 DHADMM O=C([O-])c1ccc(CNCc2cc(Cl)ccc2Cl)cc1 ZINC000426697928 338038326 /nfs/dbraw/zinc/03/83/26/338038326.db2.gz WPQJKAIAXUJCHF-UHFFFAOYSA-N -1 1 310.180 3.981 20 0 DHADMM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)c(Cl)c1 ZINC000426710744 338038913 /nfs/dbraw/zinc/03/89/13/338038913.db2.gz KWVVVZPFDCRJCH-MRXNPFEDSA-N -1 1 319.788 3.573 20 0 DHADMM O=S(=O)([N-]c1ccc2cc[nH]c2c1)c1ccc2ncccc2c1 ZINC000432644502 338161603 /nfs/dbraw/zinc/16/16/03/338161603.db2.gz MGHVJXZVYMSZFJ-UHFFFAOYSA-N -1 1 323.377 3.517 20 0 DHADMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000436182656 338260993 /nfs/dbraw/zinc/26/09/93/338260993.db2.gz HLGGUSMHPGTJKF-UHFFFAOYSA-N -1 1 322.336 3.555 20 0 DHADMM O=C(NC[C@@H]1CCCC(F)(F)C1)c1ccc(Cl)cc1[O-] ZINC000436498879 338274408 /nfs/dbraw/zinc/27/44/08/338274408.db2.gz XRLZDWGFSHMFMQ-SECBINFHSA-N -1 1 303.736 3.601 20 0 DHADMM O=C(NC[C@@H]1CCCC(F)(F)C1)c1cc(Cl)ccc1[O-] ZINC000436502533 338274537 /nfs/dbraw/zinc/27/45/37/338274537.db2.gz JRWGWKFUXRWBRB-SECBINFHSA-N -1 1 303.736 3.601 20 0 DHADMM CO[C@@H]1CCC[C@H](c2nc(-c3ccc([O-])cc3Cl)no2)C1 ZINC000436520881 338275076 /nfs/dbraw/zinc/27/50/76/338275076.db2.gz JROJNMSWDMLQMP-GXSJLCMTSA-N -1 1 308.765 3.768 20 0 DHADMM CC1(C)CN(C(=O)c2ccccc2[O-])c2cccc(Cl)c21 ZINC000436536911 338275843 /nfs/dbraw/zinc/27/58/43/338275843.db2.gz WGAVCVYNFMSLKO-UHFFFAOYSA-N -1 1 301.773 3.984 20 0 DHADMM C[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])c2ccccc2O1 ZINC000436542128 338276116 /nfs/dbraw/zinc/27/61/16/338276116.db2.gz DLYZAYMKDLDKJJ-CYBMUJFWSA-N -1 1 319.360 3.973 20 0 DHADMM CC(C)c1nnc(NC(=O)c2ccc3ccccc3c2[O-])s1 ZINC000436548575 338276501 /nfs/dbraw/zinc/27/65/01/338276501.db2.gz NFDWRQPAJZWNCV-UHFFFAOYSA-N -1 1 313.382 3.773 20 0 DHADMM CC(C)N(C(=O)c1ccc(Br)cc1[O-])C1CCC1 ZINC000436565229 338276944 /nfs/dbraw/zinc/27/69/44/338276944.db2.gz UHCRQURYDCEYAT-UHFFFAOYSA-N -1 1 312.207 3.558 20 0 DHADMM COc1ccc(C(=O)Nc2ccc(F)cc2NC(C)C)c([O-])c1 ZINC000436563444 338277276 /nfs/dbraw/zinc/27/72/76/338277276.db2.gz LYGPVDVVYHWEOO-UHFFFAOYSA-N -1 1 318.348 3.613 20 0 DHADMM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2cc(F)ccc2[O-])C1 ZINC000436578357 338277912 /nfs/dbraw/zinc/27/79/12/338277912.db2.gz WMPYONUUEWBGJR-MEDUHNTESA-N -1 1 317.335 3.894 20 0 DHADMM O=C(Nc1cc(Cl)ccc1NC1CC1)c1ccccc1[O-] ZINC000436589075 338278667 /nfs/dbraw/zinc/27/86/67/338278667.db2.gz OPSOTQJIBYAMDP-UHFFFAOYSA-N -1 1 302.761 3.872 20 0 DHADMM CC[C@@H](C)n1ncc(NC(=O)c2cc(F)ccc2[O-])c1C1CC1 ZINC000436600747 338279220 /nfs/dbraw/zinc/27/92/20/338279220.db2.gz IAAPGARLUNSGLV-SNVBAGLBSA-N -1 1 317.364 3.829 20 0 DHADMM COc1ccc(C(=O)Nc2cccc(SC)c2C)c([O-])c1 ZINC000436602431 338279537 /nfs/dbraw/zinc/27/95/37/338279537.db2.gz JUNCWAHCCBADBC-UHFFFAOYSA-N -1 1 303.383 3.683 20 0 DHADMM COc1ccc(-c2nc(-c3cccc(C)c3F)no2)c([O-])c1 ZINC000436689852 338282970 /nfs/dbraw/zinc/28/29/70/338282970.db2.gz SEOIEAVWKUNRRW-UHFFFAOYSA-N -1 1 300.289 3.565 20 0 DHADMM Cc1csc(CCCCNC(=O)c2ccc(Cl)cc2[O-])n1 ZINC000436694710 338283188 /nfs/dbraw/zinc/28/31/88/338283188.db2.gz IIAKEBJOEKUYSX-UHFFFAOYSA-N -1 1 324.833 3.563 20 0 DHADMM CCCCN(C(=O)C(=O)c1ccc([O-])cc1)[C@H]1CCC[C@H](C)C1 ZINC000436708470 338283610 /nfs/dbraw/zinc/28/36/10/338283610.db2.gz VCONYSKAYZBDDS-HOCLYGCPSA-N -1 1 317.429 3.782 20 0 DHADMM Cc1ccc2nc(NC(=O)c3cc(F)c([O-])c(Cl)c3)[nH]c2c1 ZINC000436719643 338283979 /nfs/dbraw/zinc/28/39/79/338283979.db2.gz AQGBOTWHCZGAOB-UHFFFAOYSA-N -1 1 319.723 3.622 20 0 DHADMM Cc1nc2ccc(NC(=O)c3cc(F)cc(Cl)c3[O-])cc2[nH]1 ZINC000436736607 338284773 /nfs/dbraw/zinc/28/47/73/338284773.db2.gz GYUXZMAVYLPPFT-UHFFFAOYSA-N -1 1 319.723 3.622 20 0 DHADMM CCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)c1ccccc1 ZINC000436737292 338284809 /nfs/dbraw/zinc/28/48/09/338284809.db2.gz JGTXOUUJUDEKKS-UHFFFAOYSA-N -1 1 305.761 3.721 20 0 DHADMM Cc1cc(F)ccc1CN(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000436739063 338284850 /nfs/dbraw/zinc/28/48/50/338284850.db2.gz PGCUCIBPSQJCTQ-UHFFFAOYSA-N -1 1 307.752 3.765 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CCCn2c(cc3ccccc32)C1 ZINC000436736443 338284887 /nfs/dbraw/zinc/28/48/87/338284887.db2.gz GXGUEHPCEYZZDD-UHFFFAOYSA-N -1 1 324.355 3.532 20 0 DHADMM COc1ccc(F)cc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000436740942 338285014 /nfs/dbraw/zinc/28/50/14/338285014.db2.gz UEEVUYSECHPIPR-UHFFFAOYSA-N -1 1 311.312 3.945 20 0 DHADMM O=C(NCCCc1cccc(F)c1)c1cc(Cl)ccc1[O-] ZINC000436745495 338285130 /nfs/dbraw/zinc/28/51/30/338285130.db2.gz VCHMCCXLTRNPOL-UHFFFAOYSA-N -1 1 307.752 3.547 20 0 DHADMM CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436750832 338285351 /nfs/dbraw/zinc/28/53/51/338285351.db2.gz HNHQTZDQVJCQQD-GXSJLCMTSA-N -1 1 301.308 3.672 20 0 DHADMM CC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccncc1 ZINC000436749753 338285476 /nfs/dbraw/zinc/28/54/76/338285476.db2.gz CAFZKFAUXQJRDO-ZDUSSCGKSA-N -1 1 324.302 3.687 20 0 DHADMM CCOc1ccc(CNC(=O)c2cc(Cl)ccc2[O-])cc1F ZINC000436760482 338286182 /nfs/dbraw/zinc/28/61/82/338286182.db2.gz CMMJNADUMBOUNK-UHFFFAOYSA-N -1 1 323.751 3.513 20 0 DHADMM O=C(NC1CCC(F)(F)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436776585 338286985 /nfs/dbraw/zinc/28/69/85/338286985.db2.gz KVWIKIUDHNFAPV-UHFFFAOYSA-N -1 1 323.261 3.719 20 0 DHADMM CN(Cc1cccc2[nH]ccc21)C(=O)c1cc(Cl)ccc1[O-] ZINC000436816835 338288474 /nfs/dbraw/zinc/28/84/74/338288474.db2.gz PUNVBVKVVOMBDF-UHFFFAOYSA-N -1 1 314.772 3.799 20 0 DHADMM CCO[C@H](CCNC(=O)c1cc2ccccc2cc1[O-])C(C)C ZINC000436838290 338289395 /nfs/dbraw/zinc/28/93/95/338289395.db2.gz MEQRJQRJWIWFJB-GOSISDBHSA-N -1 1 315.413 3.726 20 0 DHADMM COc1ccc(C(=O)N2CCC(C)(C)c3ccccc32)c([O-])c1 ZINC000436844774 338289675 /nfs/dbraw/zinc/28/96/75/338289675.db2.gz APSZXTYBUBCICD-UHFFFAOYSA-N -1 1 311.381 3.729 20 0 DHADMM O=C(N[C@H]1CSc2ccccc21)c1ccc(Cl)cc1[O-] ZINC000436849386 338289933 /nfs/dbraw/zinc/28/99/33/338289933.db2.gz SNYQPXBQGOTHGJ-LBPRGKRZSA-N -1 1 305.786 3.622 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cc4[nH]ccc4s3)n2)c(F)c1 ZINC000436874815 338291084 /nfs/dbraw/zinc/29/10/84/338291084.db2.gz RRHMCLMYBHXYJY-UHFFFAOYSA-N -1 1 301.302 3.791 20 0 DHADMM [O-]c1ccc(-c2noc(C[C@@H]3C[C@H]3c3ccccc3)n2)c(F)c1 ZINC000436878253 338291351 /nfs/dbraw/zinc/29/13/51/338291351.db2.gz JFMXLXJYDHNJAQ-WFASDCNBSA-N -1 1 310.328 3.928 20 0 DHADMM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccc([O-])cc1F ZINC000436881979 338291640 /nfs/dbraw/zinc/29/16/40/338291640.db2.gz WIPRLHLWIOWUBI-BTDLBPIBSA-N -1 1 317.335 3.724 20 0 DHADMM O=C(N[C@@H]1CCCOc2ccccc21)c1ccc(Cl)cc1[O-] ZINC000436887024 338291903 /nfs/dbraw/zinc/29/19/03/338291903.db2.gz ILUDZUHXNVSRBI-CQSZACIVSA-N -1 1 317.772 3.689 20 0 DHADMM COc1cc(-c2noc(-c3cc(F)ccc3[O-])n2)ccc1C ZINC000436899223 338292658 /nfs/dbraw/zinc/29/26/58/338292658.db2.gz CJVMJFGAOJMJQS-UHFFFAOYSA-N -1 1 300.289 3.565 20 0 DHADMM CC(=O)Nc1ccc([O-])c(-c2nc(C3CCC(C)CC3)no2)c1 ZINC000436917732 338293185 /nfs/dbraw/zinc/29/31/85/338293185.db2.gz DYFJATBDSMBLLZ-UHFFFAOYSA-N -1 1 315.373 3.694 20 0 DHADMM C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1c(F)cccc1F ZINC000436922262 338293374 /nfs/dbraw/zinc/29/33/74/338293374.db2.gz XHGQDPDGODAJNZ-MRVPVSSYSA-N -1 1 311.715 3.815 20 0 DHADMM CN(CCc1cccc2ccccc21)C(=O)c1c([O-])cccc1F ZINC000436945762 338295208 /nfs/dbraw/zinc/29/52/08/338295208.db2.gz QDWFGHHJQQIVPP-UHFFFAOYSA-N -1 1 323.367 3.999 20 0 DHADMM CCNc1ccc(Cl)cc1NC(=O)c1ccc(OC)cc1[O-] ZINC000436950719 338295467 /nfs/dbraw/zinc/29/54/67/338295467.db2.gz ONUXEGULSDCITM-UHFFFAOYSA-N -1 1 320.776 3.738 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3cccc(Cl)c3F)n2)c(F)c1 ZINC000436955536 338295809 /nfs/dbraw/zinc/29/58/09/338295809.db2.gz KYTRAUOYTVRGDF-UHFFFAOYSA-N -1 1 322.698 3.965 20 0 DHADMM CCOc1cc(-c2noc(C[C@H]3C[C@H]3C)n2)cc(Cl)c1[O-] ZINC000436956791 338295915 /nfs/dbraw/zinc/29/59/15/338295915.db2.gz UGULUPUBQRYTCS-RKDXNWHRSA-N -1 1 308.765 3.693 20 0 DHADMM O=C(c1ccc(Br)cc1[O-])N1CCCC2(CCC2)C1 ZINC000436981405 338296549 /nfs/dbraw/zinc/29/65/49/338296549.db2.gz CSUMJAVXMSJKEX-UHFFFAOYSA-N -1 1 324.218 3.561 20 0 DHADMM CCOCc1ccc(CNC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000436985759 338296701 /nfs/dbraw/zinc/29/67/01/338296701.db2.gz PAHDCNFVWKALSA-UHFFFAOYSA-N -1 1 319.788 3.512 20 0 DHADMM C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000436991337 338296998 /nfs/dbraw/zinc/29/69/98/338296998.db2.gz SLSWXRNAPSBWLN-OUAUKWLOSA-N -1 1 315.335 3.918 20 0 DHADMM CC[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1ccc(Cl)s1 ZINC000436996629 338297147 /nfs/dbraw/zinc/29/71/47/338297147.db2.gz CTDUZPHYMPSQCU-NSHDSACASA-N -1 1 323.801 3.557 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@H](CC(F)(F)F)C1 ZINC000437000349 338297379 /nfs/dbraw/zinc/29/73/79/338297379.db2.gz NARNUALZRRULIT-LLVKDONJSA-N -1 1 323.314 3.960 20 0 DHADMM Cc1ccc([C@@H]2CCN(C(=O)c3cc(F)ccc3[O-])C2)c(C)c1 ZINC000437006596 338297497 /nfs/dbraw/zinc/29/74/97/338297497.db2.gz YHVTUBDFCSZRRV-CQSZACIVSA-N -1 1 313.372 3.778 20 0 DHADMM CO[C@H](CNC(=O)c1ccc2ccccc2c1[O-])c1ccccc1 ZINC000437004279 338297509 /nfs/dbraw/zinc/29/75/09/338297509.db2.gz MDSKQXMFIJINGO-GOSISDBHSA-N -1 1 321.376 3.663 20 0 DHADMM CC[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CC1 ZINC000438668005 338350648 /nfs/dbraw/zinc/35/06/48/338350648.db2.gz DIOHJNQKMRQLQD-MQMHXKEQSA-N -1 1 313.401 3.937 20 0 DHADMM Cc1cc(Cl)cc(NC(=O)c2c(F)ccc([O-])c2F)c1O ZINC000438913093 338355856 /nfs/dbraw/zinc/35/58/56/338355856.db2.gz ARDXNJISINVVIB-UHFFFAOYSA-N -1 1 313.687 3.590 20 0 DHADMM Cc1c2ccccc2oc1[C@@H](NC(=O)c1cncc([O-])c1)C(C)C ZINC000439759528 338377316 /nfs/dbraw/zinc/37/73/16/338377316.db2.gz UAVOTMWPTIEBBM-KRWDZBQOSA-N -1 1 324.380 3.969 20 0 DHADMM Cc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc([O-])cc1F ZINC000446981470 338542639 /nfs/dbraw/zinc/54/26/39/338542639.db2.gz PJPAPWTWEXUZLL-CYBMUJFWSA-N -1 1 301.361 3.543 20 0 DHADMM CCCOc1cccc(CSc2nc(CC)cc(=O)[n-]2)c1 ZINC000450909144 338711995 /nfs/dbraw/zinc/71/19/95/338711995.db2.gz NMPJBPMSOXFZRV-UHFFFAOYSA-N -1 1 304.415 3.826 20 0 DHADMM CCCc1nc(C)c(C(=O)Nc2ccc([O-])c(F)c2F)s1 ZINC000456797064 338941181 /nfs/dbraw/zinc/94/11/81/338941181.db2.gz YTFZYXXRPIHVSC-UHFFFAOYSA-N -1 1 312.341 3.640 20 0 DHADMM CC[C@@]1(C(C)C)C[C@H]1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000457285928 338958121 /nfs/dbraw/zinc/95/81/21/338958121.db2.gz OQCPFIXAVXWUIP-CJNGLKHVSA-N -1 1 311.809 3.609 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2C)cc(C)c1F ZINC000467084263 339225952 /nfs/dbraw/zinc/22/59/52/339225952.db2.gz ZVDVRCWLRZSJQC-UHFFFAOYSA-N -1 1 311.353 3.691 20 0 DHADMM C[C@@H](Cc1cncc2ccccc21)C(=O)Nc1ccc(F)cc1[O-] ZINC000501321421 340078575 /nfs/dbraw/zinc/07/85/75/340078575.db2.gz FXAUJSIHWGTCRI-LBPRGKRZSA-N -1 1 324.355 3.897 20 0 DHADMM C[C@@H](C(=O)[O-])N(Cc1c(Cl)cccc1Cl)C1CCC1 ZINC000516585663 340090763 /nfs/dbraw/zinc/09/07/63/340090763.db2.gz YOIDJDBJMXFQTN-VIFPVBQESA-N -1 1 302.201 3.821 20 0 DHADMM C[N@H+](Cc1c(F)ccc(O)c1F)[C@@H]1CCc2ccccc2C1 ZINC000508589443 340247078 /nfs/dbraw/zinc/24/70/78/340247078.db2.gz SIXDZDPZJMQKOJ-CQSZACIVSA-N -1 1 303.352 3.660 20 0 DHADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)c1 ZINC000509075205 340260459 /nfs/dbraw/zinc/26/04/59/340260459.db2.gz PCUMWEWDZJGRNA-UHFFFAOYSA-N -1 1 311.403 3.657 20 0 DHADMM CSc1cccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000509096171 340261131 /nfs/dbraw/zinc/26/11/31/340261131.db2.gz GFSOVGNNIWWYQK-UHFFFAOYSA-N -1 1 307.440 3.826 20 0 DHADMM O=C(N[C@@H]1CCCOc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000303118877 340303468 /nfs/dbraw/zinc/30/34/68/340303468.db2.gz PKEGKTQIFORHDV-CQSZACIVSA-N -1 1 317.772 3.689 20 0 DHADMM Cc1cc2c(cc1NC(=O)Nc1ccc([O-])c(Cl)c1)OCO2 ZINC000190986210 340548939 /nfs/dbraw/zinc/54/89/39/340548939.db2.gz SCAXVAVXQUBROU-UHFFFAOYSA-N -1 1 320.732 3.727 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(F)c(Cl)c1F ZINC000546897377 341186115 /nfs/dbraw/zinc/18/61/15/341186115.db2.gz DYFPLVVRVBNHJH-UHFFFAOYSA-N -1 1 301.651 3.715 20 0 DHADMM Cc1cc(C)cc([C@@H]2CCN(C(=O)c3ccc([O-])cc3F)C2)c1 ZINC000133770835 341186364 /nfs/dbraw/zinc/18/63/64/341186364.db2.gz RKAUSCOAQIXGBP-CQSZACIVSA-N -1 1 313.372 3.778 20 0 DHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1C ZINC000134775275 341223793 /nfs/dbraw/zinc/22/37/93/341223793.db2.gz AFZUWFKRKYXZDL-UHFFFAOYSA-N -1 1 317.410 3.615 20 0 DHADMM CCc1cccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)c1 ZINC000135931364 341248427 /nfs/dbraw/zinc/24/84/27/341248427.db2.gz ODKASXHJYRVGJK-UHFFFAOYSA-N -1 1 312.394 3.598 20 0 DHADMM CCC(CC)CN(CC)C(=O)c1cnc2nc(C)ccc2c1[O-] ZINC000135949502 341248733 /nfs/dbraw/zinc/24/87/33/341248733.db2.gz CSAAKCUZIFILIH-UHFFFAOYSA-N -1 1 315.417 3.542 20 0 DHADMM CCC(CC)CN(CC)C(=O)c1c[n-]c2nc(C)ccc2c1=O ZINC000135949502 341248734 /nfs/dbraw/zinc/24/87/34/341248734.db2.gz CSAAKCUZIFILIH-UHFFFAOYSA-N -1 1 315.417 3.542 20 0 DHADMM Cc1ccc(C[C@H](C)NC(=O)c2ccc(Cl)cc2[O-])s1 ZINC000080247403 341271372 /nfs/dbraw/zinc/27/13/72/341271372.db2.gz GRZSTPROEUURDE-VIFPVBQESA-N -1 1 309.818 3.777 20 0 DHADMM Cc1ccc(C[C@H](C)NC(=O)c2cc(Cl)ccc2[O-])s1 ZINC000080247449 341271379 /nfs/dbraw/zinc/27/13/79/341271379.db2.gz FYAXYGMNVDISBX-VIFPVBQESA-N -1 1 309.818 3.777 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@H](c2ccncc2)C1 ZINC000552133781 341372321 /nfs/dbraw/zinc/37/23/21/341372321.db2.gz MPYMVBDMOOFAJG-KRWDZBQOSA-N -1 1 318.376 3.570 20 0 DHADMM C[C@H]1CN(C(=O)c2ccc([O-])cc2F)CC[C@H]1c1ccccc1 ZINC000154931534 341598463 /nfs/dbraw/zinc/59/84/63/341598463.db2.gz LFDSEBILGUEWJK-XJKSGUPXSA-N -1 1 313.372 3.797 20 0 DHADMM CCOC(=O)c1cnc(C(C)=Cc2cccc(Cl)c2)[n-]c1=O ZINC000347496452 341925300 /nfs/dbraw/zinc/92/53/00/341925300.db2.gz YJZYDMUFLQUQLG-YFHOEESVSA-N -1 1 318.760 3.573 20 0 DHADMM CCN(C)C(=O)c1cccc(NCc2cccc([O-])c2Cl)c1 ZINC000339400098 520221590 /nfs/dbraw/zinc/22/15/90/520221590.db2.gz NRNXENUMEDAYCK-UHFFFAOYSA-N -1 1 318.804 3.750 20 0 DHADMM CCCCc1nnc([N-]C(=O)c2c(F)cc(F)cc2F)s1 ZINC000129714656 521326248 /nfs/dbraw/zinc/32/62/48/521326248.db2.gz DELDUQLRPNEKGV-UHFFFAOYSA-N -1 1 315.320 3.550 20 0 DHADMM CCc1ccc(C(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)c([O-])c1 ZINC000189790477 523888931 /nfs/dbraw/zinc/88/89/31/523888931.db2.gz PUBBLRABTGWXSI-ZDUSSCGKSA-N -1 1 321.376 3.675 20 0 DHADMM C[S@](=O)Cc1cccc(NCc2cccc([O-])c2Cl)c1 ZINC000339317467 525390723 /nfs/dbraw/zinc/39/07/23/525390723.db2.gz SVGUXSPBUADWJU-FQEVSTJZSA-N -1 1 309.818 3.536 20 0 DHADMM COc1ccc([C@H]2CCCN2C(=O)c2ccc([O-])cc2F)cc1 ZINC000181087286 525413168 /nfs/dbraw/zinc/41/31/68/525413168.db2.gz BQXVUHZRHILDJE-QGZVFWFLSA-N -1 1 315.344 3.517 20 0 DHADMM CCCc1nc(C(=O)[N-]c2nnc(C(CC)CC)s2)co1 ZINC000273494939 535484116 /nfs/dbraw/zinc/48/41/16/535484116.db2.gz LCSHQCXANAVHQZ-UHFFFAOYSA-N -1 1 308.407 3.635 20 0 DHADMM CO[C@@H](CSc1nc(C(F)F)cc(=O)[n-]1)c1ccccc1 ZINC000289567683 536517313 /nfs/dbraw/zinc/51/73/13/536517313.db2.gz QBZCJXHMKSBSFU-NSHDSACASA-N -1 1 312.341 3.600 20 0 DHADMM CN(C)c1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000003149562 563637684 /nfs/dbraw/zinc/63/76/84/563637684.db2.gz GCALYFVMVGOPSE-UHFFFAOYSA-N -1 1 306.365 3.864 20 0 DHADMM CCn1c2ccccc2nc1[C@@H](C)NCc1cccc(C(=O)[O-])c1 ZINC000263375738 598192215 /nfs/dbraw/zinc/19/22/15/598192215.db2.gz ALQVFLLVKUKKTE-CYBMUJFWSA-N -1 1 323.396 3.605 20 0 DHADMM O=C([O-])c1ccc(CN[C@@H](c2ccccc2)c2ccncc2)cc1 ZINC000391897608 598212335 /nfs/dbraw/zinc/21/23/35/598212335.db2.gz DJJHSROAYVEYIS-IBGZPJMESA-N -1 1 318.376 3.659 20 0 DHADMM CC(C)(C)CCCCNc1snc(Cl)c1-c1nnn[n-]1 ZINC000735601757 598796789 /nfs/dbraw/zinc/79/67/89/598796789.db2.gz BYHMQMSTECHYKD-UHFFFAOYSA-N -1 1 314.846 3.605 20 0 DHADMM CC(C)(C)CCCCNc1snc(Cl)c1-c1nn[n-]n1 ZINC000735601757 598796790 /nfs/dbraw/zinc/79/67/90/598796790.db2.gz BYHMQMSTECHYKD-UHFFFAOYSA-N -1 1 314.846 3.605 20 0 DHADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1cccc2ccccc21 ZINC000736138798 599394388 /nfs/dbraw/zinc/39/43/88/599394388.db2.gz RLPCIYCUFGQTCT-LBPRGKRZSA-N -1 1 316.368 3.588 20 0 DHADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1cccc2ccccc21 ZINC000736138798 599394391 /nfs/dbraw/zinc/39/43/91/599394391.db2.gz RLPCIYCUFGQTCT-LBPRGKRZSA-N -1 1 316.368 3.588 20 0 DHADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc2ccccc2c1 ZINC000736138981 599394752 /nfs/dbraw/zinc/39/47/52/599394752.db2.gz SYWMUIVSENBVCM-LBPRGKRZSA-N -1 1 316.368 3.588 20 0 DHADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc2ccccc2c1 ZINC000736138981 599394755 /nfs/dbraw/zinc/39/47/55/599394755.db2.gz SYWMUIVSENBVCM-LBPRGKRZSA-N -1 1 316.368 3.588 20 0 DHADMM C[C@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1Cl ZINC000736661722 599709820 /nfs/dbraw/zinc/70/98/20/599709820.db2.gz HCXRSXZZUJLVHK-ZUZCIYMTSA-N -1 1 307.752 3.956 20 0 DHADMM Cc1nc(C)c([C@@H](C)N(C)Cc2cc(C(=O)[O-])oc2C)s1 ZINC000563278181 600092306 /nfs/dbraw/zinc/09/23/06/600092306.db2.gz RITNBOFSFLGRQK-SECBINFHSA-N -1 1 308.403 3.553 20 0 DHADMM Cc1ccc([C@@H]2CCCN2Cc2ccc(F)cc2C(=O)[O-])o1 ZINC000571529071 600217879 /nfs/dbraw/zinc/21/78/79/600217879.db2.gz ACOMSQCNVCTJDW-HNNXBMFYSA-N -1 1 303.333 3.762 20 0 DHADMM C[C@H](c1ccc(F)c(Cl)c1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405369651 600296373 /nfs/dbraw/zinc/29/63/73/600296373.db2.gz XSVKLSFKMKUTJM-PWSUYJOCSA-N -1 1 311.784 3.727 20 0 DHADMM Cc1nc2c(s1)[C@@H](N(C)Cc1cc(C(=O)[O-])c(C)o1)CCC2 ZINC000515660408 600336016 /nfs/dbraw/zinc/33/60/16/600336016.db2.gz ZMODLUNDEJRMFZ-AWEZNQCLSA-N -1 1 320.414 3.561 20 0 DHADMM CCN(Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)C1CCC1 ZINC000737107477 600432852 /nfs/dbraw/zinc/43/28/52/600432852.db2.gz DDAIKWUNPKOXMV-UHFFFAOYSA-N -1 1 316.426 3.883 20 0 DHADMM C[C@H](N[C@H](C(=O)[O-])c1ccccc1F)c1ccc(F)c(F)c1 ZINC000827718110 600732407 /nfs/dbraw/zinc/73/24/07/600732407.db2.gz OTQJZZNGZYRAGN-VFZGTOFNSA-N -1 1 309.287 3.580 20 0 DHADMM C[C@@H]1CCCCN1Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000565101476 600815790 /nfs/dbraw/zinc/81/57/90/600815790.db2.gz MCZKMBQLXNGCHG-GFCCVEGCSA-N -1 1 316.426 3.883 20 0 DHADMM Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2occc2C(=O)[O-])o1 ZINC000578995270 600857724 /nfs/dbraw/zinc/85/77/24/600857724.db2.gz HBMGQPIRENSYLL-RISCZKNCSA-N -1 1 303.358 3.852 20 0 DHADMM Cc1ccc([C@H]2C[C@H](C)CCN2Cc2cc(C(=O)[O-])co2)o1 ZINC000832931510 600858135 /nfs/dbraw/zinc/85/81/35/600858135.db2.gz ZFCALCUALVMVQX-IAQYHMDHSA-N -1 1 303.358 3.852 20 0 DHADMM O=C([O-])C[C@H]1CCCCN1Cc1cc(Cl)ccc1Cl ZINC000087761497 600950088 /nfs/dbraw/zinc/95/00/88/600950088.db2.gz SYCDGFCMVIUMLM-GFCCVEGCSA-N -1 1 302.201 3.823 20 0 DHADMM C/C(=C/CN1CCc2sccc2[C@H]1c1cccs1)C(=O)[O-] ZINC000825746071 601048809 /nfs/dbraw/zinc/04/88/09/601048809.db2.gz DZFOSIIHWVBPFG-WQTJRACASA-N -1 1 319.451 3.788 20 0 DHADMM CCN(Cc1cc(C(=O)[O-])c(C)o1)[C@H](C)c1cccc(O)c1 ZINC000829719017 601375384 /nfs/dbraw/zinc/37/53/84/601375384.db2.gz WLSQEGLSSCVYTP-LLVKDONJSA-N -1 1 303.358 3.575 20 0 DHADMM O=C([O-])c1coc(CN2CC=C(c3ccc(Cl)cc3)CC2)c1 ZINC000833340496 601597946 /nfs/dbraw/zinc/59/79/46/601597946.db2.gz VWGKZMIQFMLIMV-UHFFFAOYSA-N -1 1 317.772 3.921 20 0 DHADMM CC(C)N(Cc1ccc(C(=O)[O-])s1)Cc1ccccc1F ZINC000826951440 601945186 /nfs/dbraw/zinc/94/51/86/601945186.db2.gz IOSVQUIUQVNPRM-UHFFFAOYSA-N -1 1 307.390 3.996 20 0 DHADMM c1ccc2cc(SCc3ccnc(-c4nnn[n-]4)c3)ccc2c1 ZINC000826524428 607541528 /nfs/dbraw/zinc/54/15/28/607541528.db2.gz UZXHFHYLQZSXOF-UHFFFAOYSA-N -1 1 319.393 3.707 20 0 DHADMM c1ccc2cc(SCc3ccnc(-c4nn[n-]n4)c3)ccc2c1 ZINC000826524428 607541530 /nfs/dbraw/zinc/54/15/30/607541530.db2.gz UZXHFHYLQZSXOF-UHFFFAOYSA-N -1 1 319.393 3.707 20 0 DHADMM c1ccc2c(c1)CCC[C@@H]2SCc1ccnc(-c2nnn[n-]2)c1 ZINC000826523095 607545083 /nfs/dbraw/zinc/54/50/83/607545083.db2.gz AGYZJFRLYYFKCH-INIZCTEOSA-N -1 1 323.425 3.573 20 0 DHADMM c1ccc2c(c1)CCC[C@@H]2SCc1ccnc(-c2nn[n-]n2)c1 ZINC000826523095 607545084 /nfs/dbraw/zinc/54/50/84/607545084.db2.gz AGYZJFRLYYFKCH-INIZCTEOSA-N -1 1 323.425 3.573 20 0 DHADMM Cc1cccc([C@@H]2CCCN2Cc2ccc(F)cc2C(=O)[O-])n1 ZINC000832967104 604367481 /nfs/dbraw/zinc/36/74/81/604367481.db2.gz CBXZAFUHGUEUCN-KRWDZBQOSA-N -1 1 314.360 3.564 20 0 DHADMM O=C([O-])c1cc(CN2CCCC[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC000833780555 604667072 /nfs/dbraw/zinc/66/70/72/604667072.db2.gz ZPXKLGWNOHADPV-MRXNPFEDSA-N -1 1 302.349 3.579 20 0 DHADMM CCc1nc(CN[C@H](c2ccccc2)C(C)(C)C(=O)[O-])cs1 ZINC000833673074 604866970 /nfs/dbraw/zinc/86/69/70/604866970.db2.gz IHGFGTJITMEZDU-OAHLLOKOSA-N -1 1 318.442 3.647 20 0 DHADMM CCc1nc(CN[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])cs1 ZINC000833673073 604867055 /nfs/dbraw/zinc/86/70/55/604867055.db2.gz IHGFGTJITMEZDU-HNNXBMFYSA-N -1 1 318.442 3.647 20 0 DHADMM C[C@@H](c1cc(F)ccc1F)N(C)Cc1ccccc1CC(=O)[O-] ZINC000833548059 605064505 /nfs/dbraw/zinc/06/45/05/605064505.db2.gz ZXUQWRKMDXCJSQ-LBPRGKRZSA-N -1 1 319.351 3.785 20 0 DHADMM CC(C)CN(Cc1ccc(C(=O)[O-])[nH]1)Cc1ccccc1F ZINC000833486163 605103401 /nfs/dbraw/zinc/10/34/01/605103401.db2.gz AJHMMJQXTVEAIA-UHFFFAOYSA-N -1 1 304.365 3.510 20 0 DHADMM C[C@H](c1nc2ccccc2o1)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000833551684 605359558 /nfs/dbraw/zinc/35/95/58/605359558.db2.gz UOGSTJBMNKOVNJ-GFCCVEGCSA-N -1 1 310.353 3.719 20 0 DHADMM C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(C(=O)[O-])cc1F ZINC000833604050 605701164 /nfs/dbraw/zinc/70/11/64/605701164.db2.gz COKQBKCXLQCCSE-BXKDBHETSA-N -1 1 319.298 3.687 20 0 DHADMM O=C([O-])N[C@@H]1C[C@@H](NCc2cc(F)ccc2F)c2ccccc21 ZINC000834156459 605797456 /nfs/dbraw/zinc/79/74/56/605797456.db2.gz AGOIXEJEOIKLLV-HZPDHXFCSA-N -1 1 318.323 3.508 20 0 DHADMM O=C([O-])N[C@H]1C[C@@H](NCc2cc(F)ccc2F)c2ccccc21 ZINC000834156457 605797648 /nfs/dbraw/zinc/79/76/48/605797648.db2.gz AGOIXEJEOIKLLV-CVEARBPZSA-N -1 1 318.323 3.508 20 0 DHADMM CC(C)(NCc1cc(C(=O)[O-])ccc1F)c1ccc(F)cc1 ZINC000833461101 605839836 /nfs/dbraw/zinc/83/98/36/605839836.db2.gz NLQLMPDHJCSBQK-UHFFFAOYSA-N -1 1 305.324 3.688 20 0 DHADMM CC[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(Cl)s1 ZINC000825148743 607901516 /nfs/dbraw/zinc/90/15/16/607901516.db2.gz SWYBVJLOFKGBIE-QMMMGPOBSA-N -1 1 320.809 3.540 20 0 DHADMM CC[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(Cl)s1 ZINC000825148743 607901517 /nfs/dbraw/zinc/90/15/17/607901517.db2.gz SWYBVJLOFKGBIE-QMMMGPOBSA-N -1 1 320.809 3.540 20 0 DHADMM Cc1ccc(CN[C@@](C)(C(=O)[O-])c2ccccc2)c(Cl)c1 ZINC001600419601 970807701 /nfs/dbraw/zinc/80/77/01/970807701.db2.gz PGWCIGAMPCNARO-QGZVFWFLSA-N -1 1 303.789 3.738 20 0 DHADMM CC(C)(C)[C@@H](NC(=O)c1cncc([O-])c1)c1ccc(F)cc1F ZINC000339906151 1013052518 /nfs/dbraw/zinc/05/25/18/1013052518.db2.gz DDQVWXRCWHGYOX-HNNXBMFYSA-N -1 1 320.339 3.583 20 0 DHADMM O=C(N[C@@H](c1cccc(F)c1)C1CCCC1)c1cncc([O-])c1 ZINC000339911119 1013062327 /nfs/dbraw/zinc/06/23/27/1013062327.db2.gz FDOIOYDBFULBBE-QGZVFWFLSA-N -1 1 314.360 3.588 20 0 DHADMM CC(C)(C)c1csc(CN2CCCC[C@@H]2CCC(=O)[O-])n1 ZINC000094969346 949187806 /nfs/dbraw/zinc/18/78/06/949187806.db2.gz FHIJOPAMLHOSMA-GFCCVEGCSA-N -1 1 310.463 3.660 20 0 DHADMM CC(C)(C)c1csc(CN2CCC[C@H](CCC(=O)[O-])C2)n1 ZINC000094969314 949189288 /nfs/dbraw/zinc/18/92/88/949189288.db2.gz PPXMRBVXWBNWET-GFCCVEGCSA-N -1 1 310.463 3.517 20 0 DHADMM C[C@@H](C(=O)[O-])N(Cc1ccc(F)c(Cl)c1Cl)C1CC1 ZINC001602821905 971631621 /nfs/dbraw/zinc/63/16/21/971631621.db2.gz VJUGRCWPAAJZAQ-ZETCQYMHSA-N -1 1 306.164 3.570 20 0 DHADMM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2ccc(Cl)cc2Cl)C1 ZINC000263157871 950299945 /nfs/dbraw/zinc/29/99/45/950299945.db2.gz FXUCJKRMFRMZPP-ONGXEEELSA-N -1 1 302.201 3.536 20 0 DHADMM O=C([O-])[C@@H]1c2ccccc2CCN1Cc1sccc1Cl ZINC000313016042 950781267 /nfs/dbraw/zinc/78/12/67/950781267.db2.gz XCCRXJMOCQMBHN-AWEZNQCLSA-N -1 1 307.802 3.586 20 0 DHADMM O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)c1cncc([O-])c1 ZINC000339951753 1013144541 /nfs/dbraw/zinc/14/45/41/1013144541.db2.gz OEPBMCQQMZPVDP-ZDUSSCGKSA-N -1 1 323.179 3.511 20 0 DHADMM Cc1nc(CN2CCCC[C@H]2CC(=O)[O-])sc1C(C)(C)C ZINC000923255280 957108278 /nfs/dbraw/zinc/10/82/78/957108278.db2.gz CKWXLARMDWYTOT-LBPRGKRZSA-N -1 1 310.463 3.578 20 0 DHADMM O=C([O-])[C@@H]1c2ccccc2CCN1Cc1cc(Cl)cs1 ZINC000093097119 958236747 /nfs/dbraw/zinc/23/67/47/958236747.db2.gz WESWGBWVCBQHRX-AWEZNQCLSA-N -1 1 307.802 3.586 20 0 DHADMM COc1ccccc1[C@@H]1CCCN1C(=O)c1cccc([O-])c1F ZINC001143565393 1013187400 /nfs/dbraw/zinc/18/74/00/1013187400.db2.gz NCEAWHVHDMVPCK-AWEZNQCLSA-N -1 1 315.344 3.517 20 0 DHADMM COCCN(Cc1ccccc1)Cc1cccc([O-])c1Cl ZINC000350224338 1013206106 /nfs/dbraw/zinc/20/61/06/1013206106.db2.gz VEYIBLWBQHGOEZ-UHFFFAOYSA-N -1 1 305.805 3.694 20 0 DHADMM CSc1ccc([O-])c(-c2nc(CCC(F)(F)F)no2)c1 ZINC000664750799 1013217758 /nfs/dbraw/zinc/21/77/58/1013217758.db2.gz WAQUTMFZRHKECW-UHFFFAOYSA-N -1 1 304.293 3.659 20 0 DHADMM C[C@@H](Cc1ccccc1Cl)NC(=O)c1cccc([O-])c1F ZINC001625849947 1013234314 /nfs/dbraw/zinc/23/43/14/1013234314.db2.gz QVQZVOGOSLTCLY-JTQLQIEISA-N -1 1 307.752 3.546 20 0 DHADMM C[C@H](CNC(=O)c1cc2ccccc2cc1[O-])CC(F)(F)F ZINC000397037891 1013244481 /nfs/dbraw/zinc/24/44/81/1013244481.db2.gz GZBJCFSDYPUNTG-JTQLQIEISA-N -1 1 311.303 3.864 20 0 DHADMM C[C@@](NCc1ccc(F)cc1Cl)(C(=O)[O-])c1ccccc1 ZINC001333120080 961642008 /nfs/dbraw/zinc/64/20/08/961642008.db2.gz DRAGYOMGYCTIIR-INIZCTEOSA-N -1 1 307.752 3.569 20 0 DHADMM CCc1cccc(F)c1CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001573960391 961682142 /nfs/dbraw/zinc/68/21/42/961682142.db2.gz GETORAAOSWJUMO-KRWDZBQOSA-N -1 1 313.372 3.572 20 0 DHADMM COc1cc(C(=O)N2CCc3c2cccc3C)cc(Cl)c1[O-] ZINC000153691251 1013308289 /nfs/dbraw/zinc/30/82/89/1013308289.db2.gz OWAMHBMBNSMEBO-UHFFFAOYSA-N -1 1 317.772 3.566 20 0 DHADMM Cc1ccccc1[C@]1(F)CCN(Cc2cccc(C(=O)[O-])c2)C1 ZINC000263403418 962567809 /nfs/dbraw/zinc/56/78/09/962567809.db2.gz IWGIVBFLUXALMB-IBGZPJMESA-N -1 1 313.372 3.764 20 0 DHADMM COc1c(F)ccc(Nc2ccnc(Cl)c2[O-])c1Cl ZINC001209801975 1013375902 /nfs/dbraw/zinc/37/59/02/1013375902.db2.gz WALOTALYUMXZRG-UHFFFAOYSA-N -1 1 303.120 3.985 20 0 DHADMM Nc1n[nH]c2ccc(Nc3ccc(Cl)c(Cl)c3[O-])cc12 ZINC001209861399 1013400321 /nfs/dbraw/zinc/40/03/21/1013400321.db2.gz CUTZJLTVYKPCTG-UHFFFAOYSA-N -1 1 309.156 3.901 20 0 DHADMM CC(C)(C)c1ccc(NC(=O)c2c(F)ccc([O-])c2F)cn1 ZINC000890795222 1013485746 /nfs/dbraw/zinc/48/57/46/1013485746.db2.gz IZMKKKSOLDNGPA-UHFFFAOYSA-N -1 1 306.312 3.615 20 0 DHADMM O=C(CCCOCCc1ccccc1)Nc1ccc(F)cc1[O-] ZINC000340326737 1013495553 /nfs/dbraw/zinc/49/55/53/1013495553.db2.gz BFJUNNCELCJUKU-UHFFFAOYSA-N -1 1 317.360 3.509 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000340330581 1013497599 /nfs/dbraw/zinc/49/75/99/1013497599.db2.gz RLXKVTJMNUDXSP-VXGBXAGGSA-N -1 1 307.271 3.552 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1csc(-c2ccoc2)n1 ZINC000340328390 1013498084 /nfs/dbraw/zinc/49/80/84/1013498084.db2.gz ABTCHBNFFXPKEE-UHFFFAOYSA-N -1 1 304.302 3.500 20 0 DHADMM Cc1ccc([C@H](NCc2cc(Cl)ccc2F)C(=O)[O-])cc1 ZINC000426707937 1013498066 /nfs/dbraw/zinc/49/80/66/1013498066.db2.gz FENFYVUVDXDFPN-HNNXBMFYSA-N -1 1 307.752 3.703 20 0 DHADMM N#Cc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1Cl ZINC000160286248 1013514399 /nfs/dbraw/zinc/51/43/99/1013514399.db2.gz HWPOVGJFLRITSE-UHFFFAOYSA-N -1 1 307.136 3.823 20 0 DHADMM CSc1ccc([O-])c(-c2nc(CC3CC(F)(F)C3)no2)c1 ZINC000664900188 1013565059 /nfs/dbraw/zinc/56/50/59/1013565059.db2.gz BYCSXTWSJAHDRA-UHFFFAOYSA-N -1 1 312.341 3.752 20 0 DHADMM COc1cccc(SC)c1[N-]C(=O)c1ocnc1C1CC1 ZINC000579929924 1013568237 /nfs/dbraw/zinc/56/82/37/1013568237.db2.gz ATMHLJWSFPPCNY-UHFFFAOYSA-N -1 1 304.371 3.535 20 0 DHADMM O=C(C=CC1CCCCC1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000843765689 1013674480 /nfs/dbraw/zinc/67/44/80/1013674480.db2.gz HHVRVQNNMDREOG-WDZFZDKYSA-N -1 1 311.385 3.857 20 0 DHADMM COc1cc(Nc2ccc(Cl)c(Cl)c2[O-])c(OC)cn1 ZINC001210312988 1013781676 /nfs/dbraw/zinc/78/16/76/1013781676.db2.gz STRHPFZYBMRZSA-UHFFFAOYSA-N -1 1 315.156 3.855 20 0 DHADMM Cc1cc(Br)cc(NC(=O)c2ccc([O-])cc2F)c1 ZINC000188460853 1013809901 /nfs/dbraw/zinc/80/99/01/1013809901.db2.gz UIICORCEPNBXTR-UHFFFAOYSA-N -1 1 324.149 3.855 20 0 DHADMM CN(C(=O)c1ccc([O-])cc1F)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000458023253 1013844070 /nfs/dbraw/zinc/84/40/70/1013844070.db2.gz IMFDOSACIGWTTP-QAPCUYQASA-N -1 1 313.372 3.940 20 0 DHADMM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cncc([O-])c1 ZINC000082336976 1013948690 /nfs/dbraw/zinc/94/86/90/1013948690.db2.gz NPCMNCLOAIKYKY-UHFFFAOYSA-N -1 1 316.666 3.712 20 0 DHADMM O=c1oc2cc([O-])ccc2cc1Nc1cnc2sccc2c1 ZINC001210692293 1014005043 /nfs/dbraw/zinc/00/50/43/1014005043.db2.gz PQOPFRSKVWRPBB-UHFFFAOYSA-N -1 1 310.334 3.852 20 0 DHADMM O=C(/C=C\c1nc2ccccc2o1)Nc1ccc([O-])c(Cl)c1 ZINC000255104012 1014019188 /nfs/dbraw/zinc/01/91/88/1014019188.db2.gz ASJXHLDNUAKVTG-FPLPWBNLSA-N -1 1 314.728 3.839 20 0 DHADMM O=C([O-])[C@@H](NCc1cccc(F)c1Cl)c1ccc(F)cc1 ZINC001605903021 972741813 /nfs/dbraw/zinc/74/18/13/972741813.db2.gz AZAJBMIWYRRUQG-AWEZNQCLSA-N -1 1 311.715 3.534 20 0 DHADMM Cc1noc(C)c1[C@@H](C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000070953945 1014079662 /nfs/dbraw/zinc/07/96/62/1014079662.db2.gz QBCASEVRQIVRSZ-SNVBAGLBSA-N -1 1 310.353 3.641 20 0 DHADMM FC(F)(F)[C@H](C[C@@H]1CCCO1)[N-]c1nc2ccccc2o1 ZINC000656224239 1014148945 /nfs/dbraw/zinc/14/89/45/1014148945.db2.gz FDOUPNGMPGGMHS-CABZTGNLSA-N -1 1 300.280 3.740 20 0 DHADMM Cc1cc(CN2CCC[C@@H]2c2ccc(F)cc2)oc1C(=O)[O-] ZINC000565105177 974570526 /nfs/dbraw/zinc/57/05/26/974570526.db2.gz XPKNRMNGEFJBGO-OAHLLOKOSA-N -1 1 303.333 3.762 20 0 DHADMM Cc1cc(C)cc(C2=CCN(Cc3ccc(C(=O)[O-])cn3)CC2)c1 ZINC000565106058 974571556 /nfs/dbraw/zinc/57/15/56/974571556.db2.gz ISXLSQSHNWMDOV-UHFFFAOYSA-N -1 1 322.408 3.686 20 0 DHADMM Cc1cc([C@H](C)N2CCC(C(F)(F)F)CC2)oc1C(=O)[O-] ZINC000567742845 974641388 /nfs/dbraw/zinc/64/13/88/974641388.db2.gz XRHXTLMLYQTOPW-VIFPVBQESA-N -1 1 305.296 3.622 20 0 DHADMM Cc1cc(CN2CC[C@@H](C(F)(F)F)C(C)(C)C2)oc1C(=O)[O-] ZINC000568066147 974659056 /nfs/dbraw/zinc/65/90/56/974659056.db2.gz RBJMQSVLBJTPSV-LLVKDONJSA-N -1 1 319.323 3.697 20 0 DHADMM Cc1cc(C)cc(C2=CCN(Cc3ccc(C(=O)[O-])o3)CC2)c1 ZINC000568066218 974659103 /nfs/dbraw/zinc/65/91/03/974659103.db2.gz UBDCEFZFHHYLBT-UHFFFAOYSA-N -1 1 311.381 3.884 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CN1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000576710548 974820377 /nfs/dbraw/zinc/82/03/77/974820377.db2.gz MBZWBQQWNXZBBU-RISCZKNCSA-N -1 1 303.358 3.852 20 0 DHADMM CCN(Cc1ccc(C(=O)[O-])cn1)[C@H](C)c1ccc(F)cc1 ZINC000580652185 974897669 /nfs/dbraw/zinc/89/76/69/974897669.db2.gz CPDLKHPPPPHIPJ-GFCCVEGCSA-N -1 1 302.349 3.502 20 0 DHADMM O=C([O-])c1ccc(-c2nc(CN3CCCCCC3)cs2)cc1 ZINC000652365700 975516847 /nfs/dbraw/zinc/51/68/47/975516847.db2.gz DGJPTKZFQPVXGT-UHFFFAOYSA-N -1 1 316.426 3.884 20 0 DHADMM CCCc1cccc(CN[C@@H](C(=O)[O-])c2cc(F)ccc2F)c1 ZINC000683173716 976079089 /nfs/dbraw/zinc/07/90/89/976079089.db2.gz OXWDGMHSQVMSEP-QGZVFWFLSA-N -1 1 319.351 3.833 20 0 DHADMM O=C(NCc1cc(F)ccc1F)c1ccc2ccccc2c1[O-] ZINC000320399866 1014304129 /nfs/dbraw/zinc/30/41/29/1014304129.db2.gz FTEWDDXRBJKHFY-UHFFFAOYSA-N -1 1 313.303 3.754 20 0 DHADMM CN(CCOc1ccccc1C(=O)[O-])Cc1ccccc1Cl ZINC000237194126 1014358163 /nfs/dbraw/zinc/35/81/63/1014358163.db2.gz ZDFAXMKCKMIMNY-UHFFFAOYSA-N -1 1 319.788 3.549 20 0 DHADMM CCOC(=O)c1cc2ccc(-c3cc(F)c([O-])cc3F)cn2c1 ZINC001211339397 1014359044 /nfs/dbraw/zinc/35/90/44/1014359044.db2.gz OBOJCNXCLHMGMP-UHFFFAOYSA-N -1 1 317.291 3.767 20 0 DHADMM CCC(CC)c1nnc([N-]C(=O)c2conc2C2CC2)s1 ZINC000280833304 1014395387 /nfs/dbraw/zinc/39/53/87/1014395387.db2.gz TXANWCGCMHJIST-UHFFFAOYSA-N -1 1 306.391 3.559 20 0 DHADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1cc(Cl)cc(Cl)c1 ZINC000263498836 1014557432 /nfs/dbraw/zinc/55/74/32/1014557432.db2.gz KHXKLEDHRKSJOZ-ONGXEEELSA-N -1 1 302.201 3.679 20 0 DHADMM CC[C@H](NCc1ccc(C(=O)[O-])c(C)c1)c1c(C)noc1C ZINC001595298968 980422621 /nfs/dbraw/zinc/42/26/21/980422621.db2.gz GATYVIXHJZGTQJ-HNNXBMFYSA-N -1 1 302.374 3.539 20 0 DHADMM CC[C@@H](NCc1ccc(C(=O)[O-])cn1)c1ccc(Cl)s1 ZINC001595299276 980425843 /nfs/dbraw/zinc/42/58/43/980425843.db2.gz OCIYCOAKXOUFIV-LLVKDONJSA-N -1 1 310.806 3.736 20 0 DHADMM CC[C@](NCc1cc(C)cnc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595299305 980425939 /nfs/dbraw/zinc/42/59/39/980425939.db2.gz OVHPDCKVFXIBFZ-QGZVFWFLSA-N -1 1 318.804 3.523 20 0 DHADMM CC[C@H](NCc1ccc(C)c(C(=O)[O-])c1)c1nc(C)cs1 ZINC001595299769 980430922 /nfs/dbraw/zinc/43/09/22/980430922.db2.gz FDBFVUAIYJORFG-AWEZNQCLSA-N -1 1 304.415 3.699 20 0 DHADMM CC[C@@H](NCc1ccc(CC(=O)[O-])cc1)c1ccc(F)cc1F ZINC001595299933 980432293 /nfs/dbraw/zinc/43/22/93/980432293.db2.gz KEQZGJCUFTYCIJ-QGZVFWFLSA-N -1 1 319.351 3.833 20 0 DHADMM CC[C@@H](NCc1ccccc1CC(=O)[O-])c1cc(F)ccc1F ZINC001595304822 980440454 /nfs/dbraw/zinc/44/04/54/980440454.db2.gz IRZWBOFFFLFTAL-QGZVFWFLSA-N -1 1 319.351 3.833 20 0 DHADMM C[C@H](NCc1ccoc1C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000902071470 980720653 /nfs/dbraw/zinc/72/06/53/980720653.db2.gz ZJMFJIJGICLOGM-VIFPVBQESA-N -1 1 313.275 3.847 20 0 DHADMM CCc1oc(CNCc2ccc(OC(C)C)cc2)cc1C(=O)[O-] ZINC000902095466 980731555 /nfs/dbraw/zinc/73/15/55/980731555.db2.gz AIVSGZPUANBRIW-UHFFFAOYSA-N -1 1 317.385 3.617 20 0 DHADMM O=C([O-])c1csc(CN[C@H]2CCOc3c(Cl)cccc32)c1 ZINC000902178943 980771070 /nfs/dbraw/zinc/77/10/70/980771070.db2.gz YCYMIBFQFRLSFM-ZDUSSCGKSA-N -1 1 323.801 3.713 20 0 DHADMM CCc1oc(CN[C@]2(c3ccccc3)CC2(C)C)cc1C(=O)[O-] ZINC000902330181 980835564 /nfs/dbraw/zinc/83/55/64/980835564.db2.gz QMVXQKJVOWQTDP-IBGZPJMESA-N -1 1 313.397 3.955 20 0 DHADMM Cc1oc(CN[C@@H](c2ccccc2F)C(C)C)cc1C(=O)[O-] ZINC000902378844 980861936 /nfs/dbraw/zinc/86/19/36/980861936.db2.gz AMXCMZWWGZEHLX-MRXNPFEDSA-N -1 1 305.349 3.912 20 0 DHADMM O=C([O-])c1cc(CNC2(c3cccc(Cl)c3)CCCC2)on1 ZINC000902378696 980862225 /nfs/dbraw/zinc/86/22/25/980862225.db2.gz QDBJUADLWMNBTC-UHFFFAOYSA-N -1 1 320.776 3.585 20 0 DHADMM O=C([O-])c1csc(CNCc2csc(C(F)(F)F)c2)c1 ZINC000902446224 980891134 /nfs/dbraw/zinc/89/11/34/980891134.db2.gz SVGMKKDKSIQGNV-UHFFFAOYSA-N -1 1 321.345 3.816 20 0 DHADMM Cc1ccccc1[C@]1(F)CCN(Cc2ccc(C(=O)[O-])s2)C1 ZINC000903686217 981013833 /nfs/dbraw/zinc/01/38/33/981013833.db2.gz GETOBYQZIPVKJC-KRWDZBQOSA-N -1 1 319.401 3.825 20 0 DHADMM COc1ccc([C@H](C)NCc2ccc(/C=C/C(=O)[O-])o2)cc1C ZINC000905726638 981125734 /nfs/dbraw/zinc/12/57/34/981125734.db2.gz DSOUXLREQGHVMJ-XOVSCCBYSA-N -1 1 315.369 3.545 20 0 DHADMM CC(C)(C)c1coc(CN[C@H]2CCC[C@H](CCCC(=O)[O-])C2)n1 ZINC000905790433 981151903 /nfs/dbraw/zinc/15/19/03/981151903.db2.gz SRDIVQRPJNKIOC-KGLIPLIRSA-N -1 1 322.449 3.875 20 0 DHADMM COc1cc(C(=O)N2CCC3(CCCC3)CC2)cc(Cl)c1[O-] ZINC000442966853 1014780988 /nfs/dbraw/zinc/78/09/88/1014780988.db2.gz KYSXPHJZYOPLTI-UHFFFAOYSA-N -1 1 323.820 3.851 20 0 DHADMM COc1cc(C(=O)N2CC[C@H](C)C3(CCC3)C2)cc(Cl)c1[O-] ZINC000443113152 1014822593 /nfs/dbraw/zinc/82/25/93/1014822593.db2.gz SOGAUTZMBPBDPL-NSHDSACASA-N -1 1 323.820 3.707 20 0 DHADMM COc1cc(C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc(Cl)c1[O-] ZINC000443288298 1014862498 /nfs/dbraw/zinc/86/24/98/1014862498.db2.gz LNKRAEZQTPMVMQ-NQBHXWOUSA-N -1 1 323.820 3.753 20 0 DHADMM COc1cc(C(=O)NC[C@@H]2CCC[C@@H](C)C2)cc(Cl)c1[O-] ZINC000443348962 1014881613 /nfs/dbraw/zinc/88/16/13/1014881613.db2.gz WPEHFFCRGHDVTB-GHMZBOCLSA-N -1 1 311.809 3.610 20 0 DHADMM C[C@@](NCc1cc2ccccc2s1)(C(=O)[O-])c1ccccc1 ZINC001119598485 983000705 /nfs/dbraw/zinc/00/07/05/983000705.db2.gz RJFQPSTWWVMOCB-SFHVURJKSA-N -1 1 311.406 3.991 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2ccccc2)cc1C(F)(F)F ZINC000010514273 1014943668 /nfs/dbraw/zinc/94/36/68/1014943668.db2.gz GLHIWQBIUBVZSL-UHFFFAOYSA-N -1 1 315.316 3.815 20 0 DHADMM CCN([C@H](C)Cc1ccsc1)[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001596177915 983547154 /nfs/dbraw/zinc/54/71/54/983547154.db2.gz JPJJPZQPJUBBTI-GHMZBOCLSA-N -1 1 324.471 3.917 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N(Cc1ccncc1)C1CC1 ZINC000094037105 1015005774 /nfs/dbraw/zinc/00/57/74/1015005774.db2.gz BWSPZKRAQOPWHH-UHFFFAOYSA-N -1 1 318.376 3.745 20 0 DHADMM Cc1ccnc(-c2ccc(NC(=O)c3cc(F)ccc3[O-])cc2)n1 ZINC000094152681 1015027475 /nfs/dbraw/zinc/02/74/75/1015027475.db2.gz YPNXUVXUOCRZHJ-UHFFFAOYSA-N -1 1 323.327 3.549 20 0 DHADMM C[C@H](N[C@@H](C(=O)[O-])c1ccccc1Cl)c1cccc(O)c1 ZINC001599901155 984830517 /nfs/dbraw/zinc/83/05/17/984830517.db2.gz UVYHZBXSSQKAEI-ZUZCIYMTSA-N -1 1 305.761 3.522 20 0 DHADMM C[C@H](NCc1ccc(OCC(=O)[O-])cc1)c1ccccc1Cl ZINC001599901250 984830998 /nfs/dbraw/zinc/83/09/98/984830998.db2.gz CUFIJTMGZNOGAQ-LBPRGKRZSA-N -1 1 319.788 3.654 20 0 DHADMM O=C([O-])[C@H](c1c(F)cccc1Cl)[N@H+]1CCC[C@@H](CCF)C1 ZINC000656764294 1015134220 /nfs/dbraw/zinc/13/42/20/1015134220.db2.gz XBVUMQYOSNBSBS-HZMBPMFUSA-N -1 1 317.763 3.676 20 0 DHADMM CN(C(=O)c1cc(Br)ccc1[O-])C1CCCCC1 ZINC000011639387 1015142601 /nfs/dbraw/zinc/14/26/01/1015142601.db2.gz GFUPRURKXRRFMH-UHFFFAOYSA-N -1 1 312.207 3.559 20 0 DHADMM COc1cc(C(=O)NC[C@H]2CCC[C@@H]2C2CC2)cc(Cl)c1[O-] ZINC000581654465 1015144832 /nfs/dbraw/zinc/14/48/32/1015144832.db2.gz VCXGYKHTKOMXPQ-DGCLKSJQSA-N -1 1 323.820 3.610 20 0 DHADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000034093076 1015218484 /nfs/dbraw/zinc/21/84/84/1015218484.db2.gz FQLSQWLWGIJPJC-UHFFFAOYSA-N -1 1 320.801 3.931 20 0 DHADMM C[C@]1(c2ccccc2)C[C@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC001141833932 1015267533 /nfs/dbraw/zinc/26/75/33/1015267533.db2.gz OVKJQEUQFXLDEJ-APPDUMDISA-N -1 1 303.308 3.587 20 0 DHADMM C[C@@H](C[N@@H+](C)Cc1cccc(C(=O)[O-])c1Cl)c1nccs1 ZINC000581731765 1015276607 /nfs/dbraw/zinc/27/66/07/1015276607.db2.gz OLDGGKYGBFMXEN-JTQLQIEISA-N -1 1 324.833 3.730 20 0 DHADMM CC(C)(C)[C@@H](NCc1occc1C(=O)[O-])c1ccc(F)cc1 ZINC001589720764 987883795 /nfs/dbraw/zinc/88/37/95/987883795.db2.gz QNCMTTQHTVWZAI-HNNXBMFYSA-N -1 1 305.349 3.994 20 0 DHADMM CCc1ccc(-c2n[nH]c(S[C@H](C(=O)[O-])[C@H](C)CC)n2)cc1 ZINC001597492031 988023502 /nfs/dbraw/zinc/02/35/02/988023502.db2.gz OFGHTVFVMSVKHH-MFKMUULPSA-N -1 1 319.430 3.626 20 0 DHADMM CSCc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC001599802472 988199996 /nfs/dbraw/zinc/19/99/96/988199996.db2.gz LOZSECVSUHWYDI-MRXNPFEDSA-N -1 1 319.401 3.604 20 0 DHADMM CCc1cnc(CN[C@@H]2CCCc3ccc(C(=O)[O-])cc32)s1 ZINC001597631445 988598167 /nfs/dbraw/zinc/59/81/67/988598167.db2.gz XLUUZTRMOVJWRG-OAHLLOKOSA-N -1 1 316.426 3.571 20 0 DHADMM CSc1ccccc1[C@H](C)N[C@@H](C)c1cncc(C(=O)[O-])c1 ZINC001599826498 988605322 /nfs/dbraw/zinc/60/53/22/988605322.db2.gz RUQALFGVRNLMGC-RYUDHWBXSA-N -1 1 316.426 3.914 20 0 DHADMM CSc1ccccc1[C@@H](C)N[C@@H](C)c1cncc(C(=O)[O-])c1 ZINC001599826496 988605424 /nfs/dbraw/zinc/60/54/24/988605424.db2.gz RUQALFGVRNLMGC-NWDGAFQWSA-N -1 1 316.426 3.914 20 0 DHADMM CC(C)(NC(=O)c1ccc2ccccc2c1[O-])c1nccs1 ZINC000116140343 1015484827 /nfs/dbraw/zinc/48/48/27/1015484827.db2.gz RCYIGCZXPYWWCD-UHFFFAOYSA-N -1 1 312.394 3.667 20 0 DHADMM O=C([O-])C[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000054300031 1015490381 /nfs/dbraw/zinc/49/03/81/1015490381.db2.gz UREUZVMVTHOWHU-JTQLQIEISA-N -1 1 302.201 3.680 20 0 DHADMM CC(C)(NCc1ccc(/C=C\C(=O)[O-])o1)c1cccc(F)c1 ZINC001590871359 990777828 /nfs/dbraw/zinc/77/78/28/990777828.db2.gz OGGCLNJNPBEMRI-HJWRWDBZSA-N -1 1 303.333 3.541 20 0 DHADMM CN(C(=O)c1cc(F)ccc1[O-])[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000458035557 1015633316 /nfs/dbraw/zinc/63/33/16/1015633316.db2.gz YGWHGJNNQRQVPY-NVXWUHKLSA-N -1 1 313.372 3.940 20 0 DHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC[C@@H]2CCC[C@@H]21 ZINC000896685876 1015704571 /nfs/dbraw/zinc/70/45/71/1015704571.db2.gz KPCPXWPXWORITI-GUYCJALGSA-N -1 1 311.381 3.656 20 0 DHADMM C[N@@H+](Cc1ccc(/C=C/C(=O)[O-])o1)Cc1ccc(Cl)cc1 ZINC001598518121 992643474 /nfs/dbraw/zinc/64/34/74/992643474.db2.gz QYGXLKKRJJDBDJ-CMDGGOBGSA-N -1 1 305.761 3.663 20 0 DHADMM CN(Cc1ccc(/C=C/C(=O)[O-])o1)Cc1ccc(Cl)cc1 ZINC001598518121 992643476 /nfs/dbraw/zinc/64/34/76/992643476.db2.gz QYGXLKKRJJDBDJ-CMDGGOBGSA-N -1 1 305.761 3.663 20 0 DHADMM CC(C)N(Cc1ccccc1)Cn1ncc2cc(C(=O)[O-])ccc21 ZINC001591603705 992837378 /nfs/dbraw/zinc/83/73/78/992837378.db2.gz OLQPLHUGHGHIKJ-UHFFFAOYSA-N -1 1 323.396 3.603 20 0 DHADMM CCc1ccc(-c2ccc(C[N-]c3nnc(C(F)F)o3)o2)cc1 ZINC000346113484 1015807388 /nfs/dbraw/zinc/80/73/88/1015807388.db2.gz ZPYRDLAHABVDPC-UHFFFAOYSA-N -1 1 319.311 4.442 20 0 DHADMM C[C@@H](N[C@@H](C)c1ccc2c(c1)CCCO2)c1ccc(C(=O)[O-])o1 ZINC001593198856 994176113 /nfs/dbraw/zinc/17/61/13/994176113.db2.gz VCISFLQABWFUIF-NWDGAFQWSA-N -1 1 315.369 3.715 20 0 DHADMM COc1ccc2nc(S[C@H](C(=O)[O-])c3ccsc3)[nH]c2c1 ZINC001599635136 994276205 /nfs/dbraw/zinc/27/62/05/994276205.db2.gz PQCSWESAZZYRRV-LBPRGKRZSA-N -1 1 320.395 3.551 20 0 DHADMM COc1cccc([C@@H](C)NCc2cc(C(=O)[O-])ccc2Cl)c1 ZINC001599657013 994597105 /nfs/dbraw/zinc/59/71/05/994597105.db2.gz KHANILQOJSMKBX-LLVKDONJSA-N -1 1 319.788 3.898 20 0 DHADMM C[C@@H](NCc1ccccc1CC(=O)[O-])c1ccc(F)cc1Cl ZINC001593305197 994760230 /nfs/dbraw/zinc/76/02/30/994760230.db2.gz UTQNASWACVKPQM-LLVKDONJSA-N -1 1 321.779 3.957 20 0 DHADMM C[C@@H](N[C@@H](C)c1cncc(C(=O)[O-])c1)c1cc2ccccc2o1 ZINC001593353575 994981790 /nfs/dbraw/zinc/98/17/90/994981790.db2.gz AQSAYKGDIUCPOL-NWDGAFQWSA-N -1 1 310.353 3.938 20 0 DHADMM CC1(C)CN(Cc2ccc(C(=O)[O-])s2)Cc2ccccc2O1 ZINC001593942593 996968572 /nfs/dbraw/zinc/96/85/72/996968572.db2.gz LLZRLHSXMIBSAK-UHFFFAOYSA-N -1 1 317.410 3.620 20 0 DHADMM CC1(C)CN(Cc2ccc(/C=C\C(=O)[O-])o2)[C@H]1c1ccccc1 ZINC001593942839 996973527 /nfs/dbraw/zinc/97/35/27/996973527.db2.gz QSYCWGNHQUDRGX-LENZSSGSSA-N -1 1 311.381 3.961 20 0 DHADMM COc1ccc(C(=O)[O-])cc1CN(C)Cc1cc(C)cc(C)c1 ZINC001599499194 997081744 /nfs/dbraw/zinc/08/17/44/997081744.db2.gz VVOOMYFAQSWSHK-UHFFFAOYSA-N -1 1 313.397 3.642 20 0 DHADMM C[C@@H](CF)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000843599315 1016127085 /nfs/dbraw/zinc/12/70/85/1016127085.db2.gz XUWHVGSGCYPYKO-LURJTMIESA-N -1 1 300.107 3.559 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)C1([C@H]2CCCCO2)CCC1 ZINC000866869553 1016163182 /nfs/dbraw/zinc/16/31/82/1016163182.db2.gz WTDFKIIINZZECJ-CQSZACIVSA-N -1 1 309.793 3.724 20 0 DHADMM C[C@H]1[C@@H](C(F)(F)F)CCCN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC001594173099 998664804 /nfs/dbraw/zinc/66/48/04/998664804.db2.gz KSWQJOBDOGGCNT-CABZTGNLSA-N -1 1 319.298 3.687 20 0 DHADMM Cc1c(Cl)cccc1Nc1cc(S(C)(=O)=O)ccc1[O-] ZINC001216325250 1016307964 /nfs/dbraw/zinc/30/79/64/1016307964.db2.gz KREBXEDVMMKTDT-UHFFFAOYSA-N -1 1 311.790 3.501 20 0 DHADMM O=C(CO[C@H]1CCCc2ccccc21)Nc1c([O-])cccc1F ZINC000684749882 1016365223 /nfs/dbraw/zinc/36/52/23/1016365223.db2.gz GFKMEVYCLBEHMW-INIZCTEOSA-N -1 1 315.344 3.564 20 0 DHADMM Cc1nc(CNCc2ccc(CC(C)C)cc2)ccc1C(=O)[O-] ZINC000277507397 1016468636 /nfs/dbraw/zinc/46/86/36/1016468636.db2.gz XZOZFILRBWMXKM-UHFFFAOYSA-N -1 1 312.413 3.577 20 0 DHADMM CC(C)CN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CC1 ZINC000684870785 1016751833 /nfs/dbraw/zinc/75/18/33/1016751833.db2.gz PNVZHDMHBUMHGY-UHFFFAOYSA-N -1 1 301.308 3.672 20 0 DHADMM C[C@H](c1cccnc1)N(C)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684872200 1016756216 /nfs/dbraw/zinc/75/62/16/1016756216.db2.gz RWVAUSYLOLPZAR-SNVBAGLBSA-N -1 1 324.302 3.639 20 0 DHADMM C[C@@H](N(C)C(=O)c1ccc(C(F)(F)F)c([O-])c1)C1(C)CC1 ZINC000684875583 1016765791 /nfs/dbraw/zinc/76/57/91/1016765791.db2.gz KAACMQVLPPZHAT-SECBINFHSA-N -1 1 301.308 3.672 20 0 DHADMM Cc1sc2nc(-c3ccc(OC(F)F)cn3)[n-]c(=O)c2c1C ZINC000342619346 1016863671 /nfs/dbraw/zinc/86/36/71/1016863671.db2.gz MMPTYNVEBGLLIK-UHFFFAOYSA-N -1 1 323.324 3.677 20 0 DHADMM O=S(=O)([N-]c1ccc2n[nH]cc2c1)c1cccc2ccccc21 ZINC000103279454 1016929570 /nfs/dbraw/zinc/92/95/70/1016929570.db2.gz WQWOWDPDHHOERG-UHFFFAOYSA-N -1 1 323.377 3.517 20 0 DHADMM Cc1c2occ(CC(=O)[N-]OCC(F)(F)F)c2ccc1Cl ZINC000897030021 1016996775 /nfs/dbraw/zinc/99/67/75/1016996775.db2.gz CGDWWIQPUPLPOQ-UHFFFAOYSA-N -1 1 321.682 3.547 20 0 DHADMM C[C@@H]1C[C@H](c2cccs2)CN1C(=O)c1cc(F)ccc1[O-] ZINC000362008825 1032192398 /nfs/dbraw/zinc/19/23/98/1032192398.db2.gz IIYIBGXWIONCGQ-MNOVXSKESA-N -1 1 305.374 3.611 20 0 DHADMM O=C([N-]c1nnc(C(F)F)s1)c1cc2cc(F)ccc2o1 ZINC000117630069 1032223104 /nfs/dbraw/zinc/22/31/04/1032223104.db2.gz OGVWPWKYLSPCGZ-UHFFFAOYSA-N -1 1 313.260 3.613 20 0 DHADMM COCc1ccsc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445449005 1032286477 /nfs/dbraw/zinc/28/64/77/1032286477.db2.gz NCGKXIBXKONVAV-UHFFFAOYSA-N -1 1 322.773 3.971 20 0 DHADMM CCSCc1cccc(NC(=O)c2c([O-])cccc2OC)c1 ZINC001147633366 1032328929 /nfs/dbraw/zinc/32/89/29/1032328929.db2.gz UDTRBWJPMJKQGM-UHFFFAOYSA-N -1 1 317.410 3.906 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)cc1 ZINC000058016220 1032335023 /nfs/dbraw/zinc/33/50/23/1032335023.db2.gz BVNQEOWTQOULRL-UHFFFAOYSA-N -1 1 317.410 3.635 20 0 DHADMM CC(C)(CNC(=O)c1cc(Cl)ccc1[O-])CC(F)(F)F ZINC001148650012 1032422041 /nfs/dbraw/zinc/42/20/41/1032422041.db2.gz RKTMMGHPLSHXBZ-UHFFFAOYSA-N -1 1 309.715 3.754 20 0 DHADMM C[C@@H](c1ccccn1)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000121279628 1032436237 /nfs/dbraw/zinc/43/62/37/1032436237.db2.gz GJWHQMARTONNMI-ZDUSSCGKSA-N -1 1 306.365 3.774 20 0 DHADMM O=C(Nc1ccc2n[nH]cc2c1)c1ccc(C(F)(F)F)cc1[O-] ZINC001148790961 1032440334 /nfs/dbraw/zinc/44/03/34/1032440334.db2.gz YHHSIUOGRUTPNB-UHFFFAOYSA-N -1 1 321.258 3.540 20 0 DHADMM C[C@H](NC(=O)c1cccc(-c2ccccc2)c1[O-])c1ccncc1 ZINC001148861526 1032448751 /nfs/dbraw/zinc/44/87/51/1032448751.db2.gz SBUFTHOJGBVZAA-AWEZNQCLSA-N -1 1 318.376 3.945 20 0 DHADMM C[C@H](NC(=O)c1cccc(-c2ccccc2)c1[O-])c1ccno1 ZINC001148871903 1032449743 /nfs/dbraw/zinc/44/97/43/1032449743.db2.gz CJVDQTWDNOFFMY-LBPRGKRZSA-N -1 1 308.337 3.538 20 0 DHADMM CN(C(=O)c1cccc(-c2ccccc2)c1[O-])C1CC(F)(F)C1 ZINC001148861119 1032449911 /nfs/dbraw/zinc/44/99/11/1032449911.db2.gz MCOMGUWNCKSKPS-UHFFFAOYSA-N -1 1 317.335 3.929 20 0 DHADMM CO[C@H](C)c1cccc(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000348214132 1032498469 /nfs/dbraw/zinc/49/84/69/1032498469.db2.gz NXXVSMHPXUFWGP-SECBINFHSA-N -1 1 307.296 3.630 20 0 DHADMM Cc1nc(-c2ccc(NC[C@@H]3CCC[C@@H]4C[C@@H]43)nc2)[n-]c(=O)c1C ZINC000664384915 1011994085 /nfs/dbraw/zinc/99/40/85/1011994085.db2.gz FGEGSIMJGJXRGF-YCPHGPKFSA-N -1 1 324.428 3.709 20 0 DHADMM CCc1cc(=O)[nH]c(C[N@@H+]2CC(C)(C)C[C@@H]2c2ccccc2)n1 ZINC001171407030 1032597233 /nfs/dbraw/zinc/59/72/33/1032597233.db2.gz JECFDZPMELULGE-MRXNPFEDSA-N -1 1 311.429 3.718 20 0 DHADMM CCc1c(=O)n(-c2cc(Cl)nc3ncccc23)[n-]c1C(C)C ZINC000887297000 1032606430 /nfs/dbraw/zinc/60/64/30/1032606430.db2.gz QGCHHGSJPUULTB-SNVBAGLBSA-N -1 1 316.792 3.668 20 0 DHADMM CCc1cccc(Cl)c1CNCc1cccc(C(=O)[O-])c1 ZINC000683175890 1012249932 /nfs/dbraw/zinc/24/99/32/1012249932.db2.gz CMQBVSYXYVBCKB-UHFFFAOYSA-N -1 1 303.789 3.890 20 0 DHADMM Cc1ccc(-c2n[nH]c(NC(=O)c3cc(C)ccc3C3CC3)n2)o1 ZINC000425201272 1012354440 /nfs/dbraw/zinc/35/44/40/1012354440.db2.gz NEQDVURISPHCCQ-UHFFFAOYSA-N -1 1 322.368 3.811 20 0 DHADMM COc1cc(Cl)c(NC(=O)c2c([O-])cccc2OC)cc1C ZINC001625813642 1012833244 /nfs/dbraw/zinc/83/32/44/1012833244.db2.gz PTQLQYUCRYSUNI-UHFFFAOYSA-N -1 1 321.760 3.624 20 0 DHADMM O=C([O-])[C@@H](NCc1cccc(C2CC2)c1)c1cc(F)ccc1F ZINC000643343942 1012878814 /nfs/dbraw/zinc/87/88/14/1012878814.db2.gz LWFMYTQYHSSCKS-KRWDZBQOSA-N -1 1 317.335 3.758 20 0 DHADMM CCN(Cc1ccc2ccccc2c1)C(=O)c1cncc([O-])c1 ZINC000339884706 1012998594 /nfs/dbraw/zinc/99/85/94/1012998594.db2.gz WNKXSVPAMHNMRP-UHFFFAOYSA-N -1 1 306.365 3.603 20 0 DHADMM O=C(Nc1ccc(Cl)cc1[O-])c1ccc2c(n1)CCCC2 ZINC000339007251 1032683495 /nfs/dbraw/zinc/68/34/95/1032683495.db2.gz OFMWJSLBZBWHOW-UHFFFAOYSA-N -1 1 302.761 3.572 20 0 DHADMM CC(C)CC1(NC(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001167598913 1017162495 /nfs/dbraw/zinc/16/24/95/1017162495.db2.gz YCAVTLHRYKQYRB-UHFFFAOYSA-N -1 1 301.308 3.720 20 0 DHADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3ncsc3c2)c1 ZINC000614802969 1017517160 /nfs/dbraw/zinc/51/71/60/1017517160.db2.gz OBHJEFNIWAWJNQ-UHFFFAOYSA-N -1 1 318.423 3.714 20 0 DHADMM [O-]c1ccc(-c2nc(CCn3ccc4ccccc43)no2)c(F)c1 ZINC000445197257 1017786631 /nfs/dbraw/zinc/78/66/31/1017786631.db2.gz PBLMCJDPOQONSW-UHFFFAOYSA-N -1 1 323.327 3.779 20 0 DHADMM COc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2C)cc(Cl)c1[O-] ZINC000153545743 1017791754 /nfs/dbraw/zinc/79/17/54/1017791754.db2.gz SPZSMJFGFXUUOW-ZWNOBZJWSA-N -1 1 311.809 3.705 20 0 DHADMM COc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1F ZINC000445449120 1017855560 /nfs/dbraw/zinc/85/55/60/1017855560.db2.gz TXNUTAAZGGOCOV-UHFFFAOYSA-N -1 1 320.707 3.910 20 0 DHADMM Cc1ccc(/C=C\c2nc(-c3ccc([O-])cc3Cl)no2)nc1 ZINC000445450396 1017858306 /nfs/dbraw/zinc/85/83/06/1017858306.db2.gz SJUNHGABYCZETD-DAXSKMNVSA-N -1 1 313.744 3.969 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3ccccc3Cl)n2)cc1F ZINC000445478638 1017874590 /nfs/dbraw/zinc/87/45/90/1017874590.db2.gz HQCPRKJOQCRMRV-UHFFFAOYSA-N -1 1 304.708 3.826 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3ccc(O)cc3Cl)n2)cc1F ZINC000445479569 1017875252 /nfs/dbraw/zinc/87/52/52/1017875252.db2.gz WIGSCMHDVZAHGZ-UHFFFAOYSA-N -1 1 320.707 3.531 20 0 DHADMM [O-]c1ccc(-c2noc(CCc3ccc4[nH]ccc4c3)n2)cc1F ZINC000445481507 1017877514 /nfs/dbraw/zinc/87/75/14/1017877514.db2.gz PONVBEWVLPDLIV-UHFFFAOYSA-N -1 1 323.327 3.848 20 0 DHADMM CC[C@@H](C)n1nc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1C ZINC000445476800 1017881279 /nfs/dbraw/zinc/88/12/79/1017881279.db2.gz IJRKYHLANCMTPT-SECBINFHSA-N -1 1 316.336 3.724 20 0 DHADMM CCc1ccc(CC)c([N-]S(=O)(=O)c2cccc(OC)c2)c1 ZINC000674408910 1017982972 /nfs/dbraw/zinc/98/29/72/1017982972.db2.gz JHWMKTHJKJWYOX-UHFFFAOYSA-N -1 1 319.426 3.621 20 0 DHADMM CC(C)O[C@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000404537739 1018173994 /nfs/dbraw/zinc/17/39/94/1018173994.db2.gz QBCNVHPGDVVQEU-INIZCTEOSA-N -1 1 313.397 3.575 20 0 DHADMM Cc1ccsc1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000525531792 1018316954 /nfs/dbraw/zinc/31/69/54/1018316954.db2.gz KYAQNTZCFSELRT-UHFFFAOYSA-N -1 1 305.783 3.650 20 0 DHADMM Cc1ccc(SCCC(=O)Nc2c([O-])cccc2F)cc1 ZINC000092550275 1018346614 /nfs/dbraw/zinc/34/66/14/1018346614.db2.gz GCLFVEOOWOUQOF-UHFFFAOYSA-N -1 1 305.374 3.961 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2ccccc2C)cc1OC(C)C ZINC000447268696 1018359538 /nfs/dbraw/zinc/35/95/38/1018359538.db2.gz XAGXGINGYLKWNV-UHFFFAOYSA-N -1 1 319.426 3.891 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CC(CC(F)(F)F)C1 ZINC000675414512 1018434495 /nfs/dbraw/zinc/43/44/95/1018434495.db2.gz BBSLODRMJWRTDP-UHFFFAOYSA-N -1 1 309.287 3.570 20 0 DHADMM O=C(N[C@H]1CSc2ccccc21)c1c([O-])cccc1Cl ZINC000735520775 1018479317 /nfs/dbraw/zinc/47/93/17/1018479317.db2.gz HJPULCFUIKQNMR-NSHDSACASA-N -1 1 305.786 3.622 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1cccc(OC(F)(F)F)c1 ZINC000675708208 1018561703 /nfs/dbraw/zinc/56/17/03/1018561703.db2.gz KQEKSGULSQYCQZ-UHFFFAOYSA-N -1 1 315.222 3.682 20 0 DHADMM FC(F)(F)c1cnc(-c2nc(-c3ccccc3Cl)no2)[n-]1 ZINC001212688513 1033446142 /nfs/dbraw/zinc/44/61/42/1033446142.db2.gz GAZGOWIHZZWVPC-UHFFFAOYSA-N -1 1 314.654 3.799 20 0 DHADMM FC(F)(F)c1c[n-]c(-c2nc(-c3ccccc3Cl)no2)n1 ZINC001212688513 1033446150 /nfs/dbraw/zinc/44/61/50/1033446150.db2.gz GAZGOWIHZZWVPC-UHFFFAOYSA-N -1 1 314.654 3.799 20 0 DHADMM CC(C)[C@@](C)(Cc1ccccc1)NC(=O)c1ccc(F)c([O-])c1 ZINC001171558083 1032778816 /nfs/dbraw/zinc/77/88/16/1032778816.db2.gz WRHICNQGLOQJIS-LJQANCHMSA-N -1 1 315.388 3.919 20 0 DHADMM Cc1cc(C)cc(CS(=O)(=O)[N-]c2cc(C3CC3)ccn2)c1 ZINC000584026522 1018873700 /nfs/dbraw/zinc/87/37/00/1018873700.db2.gz PFIYHFCHHVKCFC-UHFFFAOYSA-N -1 1 316.426 3.518 20 0 DHADMM COc1ccc(S[C@H](C)C(=O)Nc2cccc(F)c2[O-])cc1 ZINC001171632429 1032796607 /nfs/dbraw/zinc/79/66/07/1032796607.db2.gz AETZYULERYZCCL-SNVBAGLBSA-N -1 1 321.373 3.659 20 0 DHADMM C[C@@H]1CCc2sc(C(=O)Nc3cccc(F)c3[O-])cc2C1 ZINC001171632832 1032799741 /nfs/dbraw/zinc/79/97/41/1032799741.db2.gz SFUMAGODMUQRAD-SECBINFHSA-N -1 1 305.374 3.970 20 0 DHADMM COc1cccc([C@H]2C[C@@H]2C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000111666449 1019047335 /nfs/dbraw/zinc/04/73/35/1019047335.db2.gz UBNNLELUURWKMY-KGLIPLIRSA-N -1 1 317.772 3.796 20 0 DHADMM Cc1cccc(C)c1OCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111667435 1019049073 /nfs/dbraw/zinc/04/90/73/1019049073.db2.gz FKZLSPPENQSXFR-UHFFFAOYSA-N -1 1 305.761 3.680 20 0 DHADMM [O-]c1cccnc1-c1nc(-c2ccc(Cl)cc2Cl)no1 ZINC001212480758 1019417574 /nfs/dbraw/zinc/41/75/74/1019417574.db2.gz GRIOZYGYHBLSRG-UHFFFAOYSA-N -1 1 308.124 3.811 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)sc1C ZINC000091010771 1019425257 /nfs/dbraw/zinc/42/52/57/1019425257.db2.gz DUDOEIUESXWOPA-UHFFFAOYSA-N -1 1 321.345 3.583 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2Cl)sc1C ZINC000091010521 1019426945 /nfs/dbraw/zinc/42/69/45/1019426945.db2.gz LHUCTDSAIXJRCQ-UHFFFAOYSA-N -1 1 301.820 3.819 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1ccc(Br)cc1 ZINC000078806996 1019594546 /nfs/dbraw/zinc/59/45/46/1019594546.db2.gz HZEMZUZCFKNWHK-UHFFFAOYSA-N -1 1 310.122 3.546 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1sccc1Br ZINC000078806993 1019594907 /nfs/dbraw/zinc/59/49/07/1019594907.db2.gz SGYHIYJUVMVPFJ-UHFFFAOYSA-N -1 1 316.151 3.608 20 0 DHADMM O=C(Nc1ccc(Cl)cc1[O-])c1nc2ccccc2s1 ZINC000347544022 1019610712 /nfs/dbraw/zinc/61/07/12/1019610712.db2.gz ORNSWTQGNPVSCI-UHFFFAOYSA-N -1 1 304.758 3.908 20 0 DHADMM O=C(Nc1c([O-])cccc1F)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000683865254 1019646584 /nfs/dbraw/zinc/64/65/84/1019646584.db2.gz ZTMGSSYAYNOGSY-HTQZYQBOSA-N -1 1 311.765 3.988 20 0 DHADMM C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2)CC[C@@H]1C(=O)[O-] ZINC000311609972 1019694321 /nfs/dbraw/zinc/69/43/21/1019694321.db2.gz QESNFIGWBAYSPJ-RNCFNFMXSA-N -1 1 302.201 3.536 20 0 DHADMM Cc1ccc(CCCNC(=O)c2c(F)ccc([O-])c2F)c(C)c1 ZINC000685410622 1019796502 /nfs/dbraw/zinc/79/65/02/1019796502.db2.gz OOUAWXYCHCUIGI-UHFFFAOYSA-N -1 1 319.351 3.650 20 0 DHADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cccc(C2CCCC2)c1 ZINC000667014330 1032855737 /nfs/dbraw/zinc/85/57/37/1032855737.db2.gz TYGSNQHVDCFTKM-UHFFFAOYSA-N -1 1 324.306 3.733 20 0 DHADMM C[C@H](CCCC(F)(F)F)NC(=O)c1c(F)ccc([O-])c1F ZINC000685483675 1019867420 /nfs/dbraw/zinc/86/74/20/1019867420.db2.gz PJWJEBCENMZJBE-SSDOTTSWSA-N -1 1 311.250 3.521 20 0 DHADMM CCc1cccc([N-]S(=O)(=O)c2ccc(SC)cc2)c1 ZINC000064467916 1019861052 /nfs/dbraw/zinc/86/10/52/1019861052.db2.gz FATROVBVSNKOER-UHFFFAOYSA-N -1 1 307.440 3.772 20 0 DHADMM CCCCN(C)c1ccc(NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000730506183 1019997656 /nfs/dbraw/zinc/99/76/56/1019997656.db2.gz JFUXIELAYZPTTF-UHFFFAOYSA-N -1 1 314.385 3.586 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000111666318 1020148678 /nfs/dbraw/zinc/14/86/78/1020148678.db2.gz SKBIKNLNHJRNIQ-OLZOCXBDSA-N -1 1 305.736 3.927 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(N(C)C)c(C)c2)c(C)s1 ZINC000731782662 1020154616 /nfs/dbraw/zinc/15/46/16/1020154616.db2.gz JXMZSWJIZFKWIU-UHFFFAOYSA-N -1 1 324.471 3.540 20 0 DHADMM C[C@H](Cn1ccc2ccccc21)C(=O)Nc1c([O-])cccc1F ZINC000671784876 1020168818 /nfs/dbraw/zinc/16/88/18/1020168818.db2.gz BSCHAWMMDJRBJQ-GFCCVEGCSA-N -1 1 312.344 3.761 20 0 DHADMM [O-]c1ccc(-c2noc(-c3conc3C3CCCC3)n2)cc1F ZINC000866976009 1020506232 /nfs/dbraw/zinc/50/62/32/1020506232.db2.gz JILCWZPYTRAJDT-UHFFFAOYSA-N -1 1 315.304 3.894 20 0 DHADMM Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2ccc(C(=O)[O-])cn2)o1 ZINC000569856858 1020506244 /nfs/dbraw/zinc/50/62/44/1020506244.db2.gz KIDRUUFYOJHUBZ-LRDDRELGSA-N -1 1 314.385 3.654 20 0 DHADMM CC(C)c1noc([C@H](C)O[N-]C(=O)CCC2CCCCC2)n1 ZINC000177624424 1020734563 /nfs/dbraw/zinc/73/45/63/1020734563.db2.gz ONIQFAMVRPSLPQ-LBPRGKRZSA-N -1 1 309.410 3.662 20 0 DHADMM Cc1csc([C@H](NC(=O)c2ccc(Cl)cc2[O-])C2CC2)n1 ZINC000173409961 1020912554 /nfs/dbraw/zinc/91/25/54/1020912554.db2.gz LBKFHYQNUHDYGJ-CYBMUJFWSA-N -1 1 322.817 3.692 20 0 DHADMM C[C@H]1CC[C@@]2(CCN(C(=O)c3ncc4ccccc4c3[O-])C2)C1 ZINC000613396739 1020930641 /nfs/dbraw/zinc/93/06/41/1020930641.db2.gz WSQKBBCNQVPBQP-ORAYPTAESA-N -1 1 310.397 3.593 20 0 DHADMM O=C(NC[C@@H]1Cc2ccccc21)c1ccc2ccccc2c1[O-] ZINC000321535721 1020936334 /nfs/dbraw/zinc/93/63/34/1020936334.db2.gz FKHFYZBTDDHSLO-HNNXBMFYSA-N -1 1 303.361 3.615 20 0 DHADMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@@H]2CCC[C@H]21 ZINC000174252980 1020964897 /nfs/dbraw/zinc/96/48/97/1020964897.db2.gz XNCJTMKRAGXMPL-GXFFZTMASA-N -1 1 324.218 3.559 20 0 DHADMM CCCCCC[C@H](C)CC(=O)NCc1n[n-]c(=S)n1CC ZINC000066636425 1020991053 /nfs/dbraw/zinc/99/10/53/1020991053.db2.gz LWKADJRNNXLLLS-LBPRGKRZSA-N -1 1 312.483 3.573 20 0 DHADMM CCCCCC[C@H](C)CC(=O)NCc1n[n-]c(=S)n1C1CC1 ZINC000066637937 1021003559 /nfs/dbraw/zinc/00/35/59/1021003559.db2.gz GUUNHEOCHMFAEF-LBPRGKRZSA-N -1 1 324.494 3.888 20 0 DHADMM CCOc1cc(C(=O)N(C)c2ccc(F)cc2)cc(Cl)c1[O-] ZINC000186662769 1021127094 /nfs/dbraw/zinc/12/70/94/1021127094.db2.gz WZMMABONEXHVHY-UHFFFAOYSA-N -1 1 323.751 3.860 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)C1=Cc2cc(F)ccc2OC1 ZINC000090370071 1021220954 /nfs/dbraw/zinc/22/09/54/1021220954.db2.gz VSZYNMFBHMKVKE-UHFFFAOYSA-N -1 1 319.719 3.599 20 0 DHADMM CCc1cc(=O)[n-]c(SC[C@H](C)COCc2ccccc2)n1 ZINC000917512352 1021286065 /nfs/dbraw/zinc/28/60/65/1021286065.db2.gz DPUGNCMKLOSABQ-CYBMUJFWSA-N -1 1 318.442 3.690 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H]2CCCC3(CC3)C2)c1 ZINC000850206953 1021438640 /nfs/dbraw/zinc/43/86/40/1021438640.db2.gz SMAJIASOSSJCKC-MRXNPFEDSA-N -1 1 316.397 3.651 20 0 DHADMM Cc1ccnc(-c2ccc(NC(=O)c3ccc([O-])cc3F)cc2)n1 ZINC000181980385 1021532887 /nfs/dbraw/zinc/53/28/87/1021532887.db2.gz VOISDSCLQDXMGY-UHFFFAOYSA-N -1 1 323.327 3.549 20 0 DHADMM Cc1ccc(CC2CN(C(=O)c3cc(Cl)ccc3[O-])C2)cc1 ZINC000618892049 1021572611 /nfs/dbraw/zinc/57/26/11/1021572611.db2.gz SMIBOYHVEZURPL-UHFFFAOYSA-N -1 1 315.800 3.669 20 0 DHADMM CSc1ccc([O-])c(C(=O)Nc2cnn([C@H](C)C3CC3)c2)c1 ZINC000613668702 1021680366 /nfs/dbraw/zinc/68/03/66/1021680366.db2.gz AYPLXKDJXYXFOV-SNVBAGLBSA-N -1 1 317.414 3.534 20 0 DHADMM O=C1c2ccc([O-])cc2C/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000187226578 1021927103 /nfs/dbraw/zinc/92/71/03/1021927103.db2.gz PRBFXWRUPWRQSV-VZUCSPMQSA-N -1 1 315.712 3.776 20 0 DHADMM CC(C)[C@@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CC1 ZINC000620044670 1022025324 /nfs/dbraw/zinc/02/53/24/1022025324.db2.gz LVXAKQYUJMLBQS-CYBMUJFWSA-N -1 1 301.308 3.575 20 0 DHADMM C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)c1nc(C(C)(C)C)no1 ZINC000195082834 1022039020 /nfs/dbraw/zinc/03/90/20/1022039020.db2.gz USGLVXYOZKMHJK-QMMMGPOBSA-N -1 1 320.418 3.593 20 0 DHADMM Cc1ccc(C[C@@H](C)C(=O)Nc2cc([O-])c(F)cc2F)cc1 ZINC001625894461 1022064071 /nfs/dbraw/zinc/06/40/71/1022064071.db2.gz YGNXHWNRBVVLHZ-LLVKDONJSA-N -1 1 305.324 3.796 20 0 DHADMM C[C@@H](CNC(=O)c1c(F)ccc([O-])c1F)Sc1ccccc1 ZINC000538313316 1033028799 /nfs/dbraw/zinc/02/87/99/1033028799.db2.gz KTEBSZRKNNCBBD-JTQLQIEISA-N -1 1 323.364 3.581 20 0 DHADMM Cc1cccc(OC[C@H](C)NC(=O)c2c([O-])cccc2Cl)c1 ZINC000920460976 1022123700 /nfs/dbraw/zinc/12/37/00/1022123700.db2.gz KDMCNCOSPQSCRC-LBPRGKRZSA-N -1 1 319.788 3.551 20 0 DHADMM Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2)cccc1N(C)C ZINC000181154098 1022192368 /nfs/dbraw/zinc/19/23/68/1022192368.db2.gz SJPILTINSRNULB-UHFFFAOYSA-N -1 1 324.833 3.515 20 0 DHADMM C[C@@H]1CN(C(=O)c2ccc([O-])cc2F)CC[C@H]1c1ccccc1 ZINC000154931413 1022344599 /nfs/dbraw/zinc/34/45/99/1022344599.db2.gz LFDSEBILGUEWJK-CZUORRHYSA-N -1 1 313.372 3.797 20 0 DHADMM CC(=O)c1cc2c(cc1Nc1c(Cl)ccc([O-])c1F)OCO2 ZINC001214561666 1022426896 /nfs/dbraw/zinc/42/68/96/1022426896.db2.gz XKDZQQJIBKRNSC-UHFFFAOYSA-N -1 1 323.707 3.860 20 0 DHADMM CC1(C)CN(C(=O)c2ncc3ccccc3c2[O-])[C@H]2CCC[C@H]21 ZINC000615389588 1022463311 /nfs/dbraw/zinc/46/33/11/1022463311.db2.gz JKNZZWUFFYCNND-CABCVRRESA-N -1 1 310.397 3.591 20 0 DHADMM O=C(c1ncc2ccccc2c1[O-])N1CC(C2CCCCC2)C1 ZINC000615382227 1022463361 /nfs/dbraw/zinc/46/33/61/1022463361.db2.gz CJZIBXQKZBYRFA-UHFFFAOYSA-N -1 1 310.397 3.593 20 0 DHADMM CCn1cc(C(=O)Nc2cc(F)c([O-])cc2Cl)c(C2CC2)n1 ZINC000885680463 1022476494 /nfs/dbraw/zinc/47/64/94/1022476494.db2.gz QPFWOGHVSROZRW-UHFFFAOYSA-N -1 1 323.755 3.531 20 0 DHADMM O=C(C[C@@]12CCCC[C@@H]1C2(F)F)Nc1ccc([O-])c(F)c1F ZINC000616101583 1022636839 /nfs/dbraw/zinc/63/68/39/1022636839.db2.gz RAHZFZMAWKQNAU-HZMBPMFUSA-N -1 1 317.282 3.825 20 0 DHADMM C[C@@H]1CCC(C)(C)N1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000616165664 1022653389 /nfs/dbraw/zinc/65/33/89/1022653389.db2.gz SSWVXAGTJCHHNZ-SECBINFHSA-N -1 1 301.308 3.814 20 0 DHADMM CCN(CC)c1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000767293854 1022681115 /nfs/dbraw/zinc/68/11/15/1022681115.db2.gz PLRBTKDGYBAOON-UHFFFAOYSA-N -1 1 302.349 3.630 20 0 DHADMM O=C(Nc1ccc(N2CCCC2)c(F)c1)c1ccc([O-])c(F)c1 ZINC000767293702 1022682365 /nfs/dbraw/zinc/68/23/65/1022682365.db2.gz JQOQPHBPQVLERN-UHFFFAOYSA-N -1 1 318.323 3.523 20 0 DHADMM O=c1cc(Nc2cc(Br)cc(Cl)c2[O-])cc[nH]1 ZINC001212281543 1022692009 /nfs/dbraw/zinc/69/20/09/1022692009.db2.gz FILKUCUFQXGVGG-UHFFFAOYSA-N -1 1 315.554 3.652 20 0 DHADMM Cc1cnc(C(=O)N(C)[C@@H]2CCCC[C@H]2c2ccccc2)c([O-])c1 ZINC000616329528 1022693696 /nfs/dbraw/zinc/69/36/96/1022693696.db2.gz YTSHLBLBQMNFGO-DLBZAZTESA-N -1 1 324.424 3.894 20 0 DHADMM O=C(c1ncc2ccccc2c1[O-])N1CCCC[C@H]1C1CCC1 ZINC000616507697 1022732378 /nfs/dbraw/zinc/73/23/78/1022732378.db2.gz UEDWERDKUDXMNX-INIZCTEOSA-N -1 1 310.397 3.735 20 0 DHADMM CC(C)c1ncc(CN[C@@H](CC(=O)[O-])c2ccsc2)s1 ZINC000417538522 1022778488 /nfs/dbraw/zinc/77/84/88/1022778488.db2.gz UPWYXBGMBWVSRS-LBPRGKRZSA-N -1 1 310.444 3.634 20 0 DHADMM CC(C)c1cnc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])s1 ZINC000417566031 1022790293 /nfs/dbraw/zinc/79/02/93/1022790293.db2.gz QPHHIAXVMZXJGO-MLGOLLRUSA-N -1 1 318.442 3.818 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc2nc(Cl)ccc2c1 ZINC000768257610 1022934292 /nfs/dbraw/zinc/93/42/92/1022934292.db2.gz HCRRMCDZEZNGTK-UHFFFAOYSA-N -1 1 316.719 3.985 20 0 DHADMM Cn1c(C(=O)Nc2ccc(F)cc2[O-])ccc1-c1ccccc1 ZINC000768258295 1022937019 /nfs/dbraw/zinc/93/70/19/1022937019.db2.gz NRQOYQCHFJYBQD-UHFFFAOYSA-N -1 1 310.328 3.789 20 0 DHADMM CC(C)Oc1ccc(-c2ccc([N-]c3nonc3N)cc2)cc1 ZINC001212326156 1023006199 /nfs/dbraw/zinc/00/61/99/1023006199.db2.gz YORIYXUBFFOCIW-UHFFFAOYSA-N -1 1 310.357 3.850 20 0 DHADMM O=c1cc(C2CC2)nc(SCCc2noc3ccccc23)[n-]1 ZINC000655500949 1023083444 /nfs/dbraw/zinc/08/34/44/1023083444.db2.gz KKEZONZFCWPSTA-UHFFFAOYSA-N -1 1 313.382 3.536 20 0 DHADMM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1c(O)cccc1Cl ZINC000769246195 1023107891 /nfs/dbraw/zinc/10/78/91/1023107891.db2.gz UCOGBQFPQYKPRA-UHFFFAOYSA-N -1 1 320.757 3.728 20 0 DHADMM CC(C)(NC(=O)c1c([O-])cccc1F)c1cccc(Cl)c1 ZINC000622383042 1023133327 /nfs/dbraw/zinc/13/33/27/1023133327.db2.gz QGAZAHQKUQRNER-UHFFFAOYSA-N -1 1 307.752 3.850 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N(Cc1ccccc1F)C1CC1 ZINC000769638487 1023184281 /nfs/dbraw/zinc/18/42/81/1023184281.db2.gz GYTBBAHVNNKVKX-UHFFFAOYSA-N -1 1 319.763 3.990 20 0 DHADMM C[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)Cc2ccccc21 ZINC000769615928 1023187119 /nfs/dbraw/zinc/18/71/19/1023187119.db2.gz RVSUEQZRAVFARE-LLVKDONJSA-N -1 1 301.773 3.805 20 0 DHADMM CN(C(=O)c1c([O-])cccc1Cl)[C@H]1CCc2ccccc21 ZINC000769652388 1023192697 /nfs/dbraw/zinc/19/26/97/1023192697.db2.gz DATGFFQBKITHGL-AWEZNQCLSA-N -1 1 301.773 3.805 20 0 DHADMM O=C(NC1(c2nccs2)CCCC1)c1c([O-])cccc1Cl ZINC000769863527 1023221685 /nfs/dbraw/zinc/22/16/85/1023221685.db2.gz LEMUXKGQXDFCQS-UHFFFAOYSA-N -1 1 322.817 3.701 20 0 DHADMM C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1c([O-])cccc1Cl ZINC000769901455 1023229631 /nfs/dbraw/zinc/22/96/31/1023229631.db2.gz YBPGDRWQZSKXOY-SNVBAGLBSA-N -1 1 319.763 3.944 20 0 DHADMM CC(C)[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ccccn1 ZINC000769891297 1023240745 /nfs/dbraw/zinc/24/07/45/1023240745.db2.gz XZWJEGDOBZMAEX-OAHLLOKOSA-N -1 1 304.777 3.568 20 0 DHADMM Cc1cnc([C@H](C)OC(=O)c2ccc(Cl)c(Cl)c2[O-])o1 ZINC000770974020 1023378398 /nfs/dbraw/zinc/37/83/98/1023378398.db2.gz MNADTLCTBZNCKD-ZETCQYMHSA-N -1 1 316.140 3.913 20 0 DHADMM Cc1ccc2c(Cc3nc(-c4ccc([O-])c(F)c4)no3)c[nH]c2c1 ZINC000771220669 1023412331 /nfs/dbraw/zinc/41/23/31/1023412331.db2.gz BNHROSSEWYIQLZ-UHFFFAOYSA-N -1 1 323.327 3.962 20 0 DHADMM [O-]c1cccc(-c2cc(C(F)(F)F)cn3ncnc23)c1Cl ZINC001242799828 1023610537 /nfs/dbraw/zinc/61/05/37/1023610537.db2.gz FCOOGSOUQRMZNK-UHFFFAOYSA-N -1 1 313.666 3.774 20 0 DHADMM Cc1cc(C)nc([N-]S(=O)(=O)/C=C\c2ccccc2Cl)c1 ZINC000746600876 1023721845 /nfs/dbraw/zinc/72/18/45/1023721845.db2.gz SHSHGAYHDGOKGW-FPLPWBNLSA-N -1 1 322.817 3.764 20 0 DHADMM O=C([N-][C@@H](c1ccc(F)cc1)c1ccccc1Cl)C(F)F ZINC000787047709 1023752555 /nfs/dbraw/zinc/75/25/55/1023752555.db2.gz CRDWAWMUYHXBJF-ZDUSSCGKSA-N -1 1 313.706 3.950 20 0 DHADMM O=S(=O)([N-]c1ccccc1Cl)c1cccc(Cl)c1F ZINC000048652364 1023800747 /nfs/dbraw/zinc/80/07/47/1023800747.db2.gz XVPXLDPHSVJVOW-UHFFFAOYSA-N -1 1 320.172 3.933 20 0 DHADMM Cc1ccc(C(F)(F)C(=O)[N-][C@@H](C(C)C)C(F)(F)F)cc1 ZINC000787533090 1023799915 /nfs/dbraw/zinc/79/99/15/1023799915.db2.gz GJQXSMLNFGKCJR-NSHDSACASA-N -1 1 309.278 3.790 20 0 DHADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000048652847 1023801596 /nfs/dbraw/zinc/80/15/96/1023801596.db2.gz MNBWUDZWRWRWPQ-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM CC[C@@H](Cc1ccccc1)[N@@H+](CC)Cc1nc(C(=O)[O-])cs1 ZINC000652428430 1023857616 /nfs/dbraw/zinc/85/76/16/1023857616.db2.gz LALCCEZYPDGIOB-AWEZNQCLSA-N -1 1 318.442 3.685 20 0 DHADMM Cc1oc([C@@H](C)N(C)Cc2ccc(F)c(C)c2)cc1C(=O)[O-] ZINC000652446470 1023870851 /nfs/dbraw/zinc/87/08/51/1023870851.db2.gz FRKDGBTXFANKRT-LLVKDONJSA-N -1 1 305.349 3.927 20 0 DHADMM Cc1nc2ccccc2nc1SCC(=O)c1ccc([O-])cc1 ZINC000028191490 1023914390 /nfs/dbraw/zinc/91/43/90/1023914390.db2.gz WUSVKDDOKRPKPV-UHFFFAOYSA-N -1 1 310.378 3.619 20 0 DHADMM Cc1nc(SC[C@@H]2CCCC(C)(C)O2)[n-]c(=O)c1C1CC1 ZINC000882277317 1024014476 /nfs/dbraw/zinc/01/44/76/1024014476.db2.gz FINJDJLKWYYGOG-LBPRGKRZSA-N -1 1 308.447 3.808 20 0 DHADMM Cc1c2ccccc2oc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000789930215 1024184142 /nfs/dbraw/zinc/18/41/42/1024184142.db2.gz JGIMAKOVDMLDJD-UHFFFAOYSA-N -1 1 302.717 3.748 20 0 DHADMM CSc1ccc(C)c(C(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC000789930505 1024184793 /nfs/dbraw/zinc/18/47/93/1024184793.db2.gz SUWMMCUHODDTAB-UHFFFAOYSA-N -1 1 308.790 3.723 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000790052449 1024212104 /nfs/dbraw/zinc/21/21/04/1024212104.db2.gz VTMOJEOZPXNORV-YUMQZZPRSA-N -1 1 322.714 3.748 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000531756390 1024301966 /nfs/dbraw/zinc/30/19/66/1024301966.db2.gz ZXVIJEIEWFUVMB-CHWSQXEVSA-N -1 1 305.736 3.927 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1CCCC[C@H]1C(F)(F)F ZINC000270409617 1024387086 /nfs/dbraw/zinc/38/70/86/1024387086.db2.gz XSOAQXRIIHNTCX-VHSXEESVSA-N -1 1 305.271 3.839 20 0 DHADMM CCC[C@@H](OC)c1noc(-c2cc(Cl)c([O-])c(OC)c2)n1 ZINC000453198864 1024398415 /nfs/dbraw/zinc/39/84/15/1024398415.db2.gz OWHYEKMVCZAGTP-SNVBAGLBSA-N -1 1 312.753 3.592 20 0 DHADMM CCC(C)(C)c1ccc(Oc2nc3c(cnn3C)c(=O)[n-]2)cc1 ZINC000538894440 1033212936 /nfs/dbraw/zinc/21/29/36/1033212936.db2.gz ZHAGQRIFASDTPP-UHFFFAOYSA-N -1 1 312.373 3.549 20 0 DHADMM CCN(C(=O)c1ccc(C(C)C)cc1[O-])c1nc(C)cs1 ZINC000271222680 1024472718 /nfs/dbraw/zinc/47/27/18/1024472718.db2.gz DAPIFJGQCGUERH-UHFFFAOYSA-N -1 1 304.415 3.947 20 0 DHADMM O=C(CC1CCCCC1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000028698991 1024494975 /nfs/dbraw/zinc/49/49/75/1024494975.db2.gz HASVNFSQYRHYME-UHFFFAOYSA-N -1 1 316.353 3.512 20 0 DHADMM CSC1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000313833500 1024516242 /nfs/dbraw/zinc/51/62/42/1024516242.db2.gz XZNSMUXJGCWSKN-UHFFFAOYSA-N -1 1 301.411 3.513 20 0 DHADMM CC(C)Oc1ccc([C@@H](C)NCc2cc(C(=O)[O-])co2)cc1 ZINC000317670793 1024583243 /nfs/dbraw/zinc/58/32/43/1024583243.db2.gz VUENRKBWIPGXDZ-GFCCVEGCSA-N -1 1 303.358 3.616 20 0 DHADMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2c(F)cccc2F)c1F ZINC000318413416 1024735245 /nfs/dbraw/zinc/73/52/45/1024735245.db2.gz XEKHMXWPCNYDIG-UHFFFAOYSA-N -1 1 310.231 3.573 20 0 DHADMM O=C(Nc1cc(F)ccc1F)Nc1cc(F)c([O-])cc1F ZINC001202658641 1024786798 /nfs/dbraw/zinc/78/67/98/1024786798.db2.gz ITLSOKTZVQKULF-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM Cc1cc(C)c(C(=O)Nc2ccc([O-])c(Cl)c2)cc1C=O ZINC000793709892 1025148030 /nfs/dbraw/zinc/14/80/30/1025148030.db2.gz XMJZMZGHAPDODK-UHFFFAOYSA-N -1 1 303.745 3.727 20 0 DHADMM COCc1cc(-c2ccc(Cl)c([O-])c2)nc(C(C)(C)C)n1 ZINC001243579881 1025163628 /nfs/dbraw/zinc/16/36/28/1025163628.db2.gz WQAMILSIQHDRQC-UHFFFAOYSA-N -1 1 306.793 3.947 20 0 DHADMM O=C1CSCN1c1ccc(-c2ccc(Cl)c([O-])c2)cc1 ZINC001243581813 1025178767 /nfs/dbraw/zinc/17/87/67/1025178767.db2.gz VGAQHFITTOWAQV-UHFFFAOYSA-N -1 1 305.786 3.750 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N(Cc1ccccc1F)C1CCC1 ZINC000092600651 1025196264 /nfs/dbraw/zinc/19/62/64/1025196264.db2.gz ARCBCYQGJZFPHG-UHFFFAOYSA-N -1 1 317.335 3.865 20 0 DHADMM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(NC[C@H]2C[C@H](F)C2)cc1 ZINC001168240768 1025371374 /nfs/dbraw/zinc/37/13/74/1025371374.db2.gz WCWONOXPCFKUHB-NHCYSSNCSA-N -1 1 318.314 3.586 20 0 DHADMM CC(=O)CCC(C)(C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885676323 1025379561 /nfs/dbraw/zinc/37/95/61/1025379561.db2.gz MVPRVEVMIYVSMZ-UHFFFAOYSA-N -1 1 301.745 3.519 20 0 DHADMM C[C@H](CC1CCCCC1)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129759755 1025410262 /nfs/dbraw/zinc/41/02/62/1025410262.db2.gz RPYAGXZIOSTDAZ-GFCCVEGCSA-N -1 1 317.433 3.606 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)cc1 ZINC000614829644 1025559655 /nfs/dbraw/zinc/55/96/55/1025559655.db2.gz XTLAPSBLZFEPDG-UHFFFAOYSA-N -1 1 313.781 3.842 20 0 DHADMM O=C(Nc1cccc(SC(F)F)c1)C(=O)c1ccc([O-])cc1 ZINC000806769190 1025970624 /nfs/dbraw/zinc/97/06/24/1025970624.db2.gz FKZLPNPZKPZLAE-UHFFFAOYSA-N -1 1 323.320 3.528 20 0 DHADMM CN(C)c1nc2cc(NCc3cccc([O-])c3Cl)ccc2o1 ZINC000645166810 1026041592 /nfs/dbraw/zinc/04/15/92/1026041592.db2.gz ZDBNZISIQTWNRP-UHFFFAOYSA-N -1 1 317.776 3.865 20 0 DHADMM COc1cc(F)ccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000320367621 1026082485 /nfs/dbraw/zinc/08/24/85/1026082485.db2.gz IGZSVXHBSNDTBG-UHFFFAOYSA-N -1 1 311.312 3.945 20 0 DHADMM CCC[C@@]1(C)CCCN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC000747412405 1026102710 /nfs/dbraw/zinc/10/27/10/1026102710.db2.gz NTUHWAHCCBWTDA-SFHVURJKSA-N -1 1 319.449 3.656 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccnc(C(F)(F)F)c1 ZINC000808384609 1026274710 /nfs/dbraw/zinc/27/47/10/1026274710.db2.gz IWCJDWZBKWGZJR-UHFFFAOYSA-N -1 1 316.666 3.712 20 0 DHADMM CCCC[C@H](NCc1ccc(-c2ccc(C)cc2)o1)C(=O)[O-] ZINC000262727113 1026516564 /nfs/dbraw/zinc/51/65/64/1026516564.db2.gz ZWOIWSCNRUXXRQ-INIZCTEOSA-N -1 1 301.386 3.988 20 0 DHADMM CC[C@@H](C)CCNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000664231033 1026703207 /nfs/dbraw/zinc/70/32/07/1026703207.db2.gz SHLRTZAQSNNPIB-LLVKDONJSA-N -1 1 300.406 3.709 20 0 DHADMM CC1(C)COc2ccc(C(=O)Nc3ccc([O-])c(Cl)c3)cc21 ZINC000810581945 1026793976 /nfs/dbraw/zinc/79/39/76/1026793976.db2.gz ASVQSKBCQAJCDW-UHFFFAOYSA-N -1 1 317.772 3.968 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@]23C[C@H]2CCC3)c1 ZINC000421800084 1027053685 /nfs/dbraw/zinc/05/36/85/1027053685.db2.gz GIHMOBKHCNZALE-YMTOWFKASA-N -1 1 310.191 3.592 20 0 DHADMM O=S(=O)(/C=C\c1ccc(F)cc1)[N-]c1cc(C2CC2)ccn1 ZINC000811838040 1027097962 /nfs/dbraw/zinc/09/79/62/1027097962.db2.gz PZQVRPBQCWPUJR-NTMALXAHSA-N -1 1 318.373 3.511 20 0 DHADMM CC(C)CN(C(=O)c1cncc([O-])c1)c1ccc(Cl)cc1 ZINC000572259835 1027189524 /nfs/dbraw/zinc/18/95/24/1027189524.db2.gz VIPMQZOCFFSXCJ-UHFFFAOYSA-N -1 1 304.777 3.743 20 0 DHADMM [O-]c1cccc(CN2CCO[C@H](c3cccs3)C2)c1Cl ZINC000295386849 1027246291 /nfs/dbraw/zinc/24/62/91/1027246291.db2.gz PNCNTJDUKYLPIR-ZDUSSCGKSA-N -1 1 309.818 3.681 20 0 DHADMM [O-]c1ccc(-c2noc(-c3ccn(C4CCCC4)n3)n2)c(F)c1 ZINC000562476582 1027454024 /nfs/dbraw/zinc/45/40/24/1027454024.db2.gz MEXLATIPUWBTLL-UHFFFAOYSA-N -1 1 314.320 3.560 20 0 DHADMM C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)c1cc(F)ccc1[O-] ZINC000296099986 1027539858 /nfs/dbraw/zinc/53/98/58/1027539858.db2.gz MTFWCUQREVQFNW-IVZWLZJFSA-N -1 1 319.298 3.723 20 0 DHADMM C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000296783152 1027731652 /nfs/dbraw/zinc/73/16/52/1027731652.db2.gz DWMOUDAYFJLCOV-BDAKNGLRSA-N -1 1 321.726 3.849 20 0 DHADMM CCc1cc(=O)[n-]c(S[C@H](C(=O)C2CC2)c2ccccc2)n1 ZINC000578768524 1028235917 /nfs/dbraw/zinc/23/59/17/1028235917.db2.gz HHPPOLDVJLHTGM-INIZCTEOSA-N -1 1 314.410 3.557 20 0 DHADMM COc1cc(C(=O)NC23CCC(CC2)CC3)cc(Cl)c1[O-] ZINC000579442043 1028411755 /nfs/dbraw/zinc/41/17/55/1028411755.db2.gz VSDXAJCQLJYPMC-UHFFFAOYSA-N -1 1 309.793 3.507 20 0 DHADMM CC[C@H](C)CN(CC)c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000565709661 1028623691 /nfs/dbraw/zinc/62/36/91/1028623691.db2.gz HYYSPGADFARTLV-LBPRGKRZSA-N -1 1 314.433 3.733 20 0 DHADMM O=C(Nc1n[nH]c2ccccc21)c1cc2ccccc2cc1[O-] ZINC001135217045 1028629134 /nfs/dbraw/zinc/62/91/34/1028629134.db2.gz OFSRPJZTYQSWOK-UHFFFAOYSA-N -1 1 303.321 3.674 20 0 DHADMM CC[C@@]1(C)CCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000566015511 1028668352 /nfs/dbraw/zinc/66/83/52/1028668352.db2.gz ZBQSIJGIWGMVHN-SFHVURJKSA-N -1 1 314.385 3.662 20 0 DHADMM O=C(CC1CCC(F)(F)CC1)Nc1ccc([O-])c(F)c1F ZINC000627680317 1028796880 /nfs/dbraw/zinc/79/68/80/1028796880.db2.gz BWCXNZRFFLESBX-UHFFFAOYSA-N -1 1 305.271 3.825 20 0 DHADMM CCc1nc(C(C)C)ccc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000816426957 1028864539 /nfs/dbraw/zinc/86/45/39/1028864539.db2.gz CYDNRYSTNIFCLH-UHFFFAOYSA-N -1 1 319.792 3.774 20 0 DHADMM CO[C@@H](CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1)C1CC1 ZINC000567351442 1028879055 /nfs/dbraw/zinc/87/90/55/1028879055.db2.gz OBTCTQSSBRGEMP-AWEZNQCLSA-N -1 1 316.426 3.675 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CCCC23CC3)c1 ZINC000528980174 1028988303 /nfs/dbraw/zinc/98/83/03/1028988303.db2.gz RIWFFTJYWRTSHI-JTQLQIEISA-N -1 1 324.218 3.982 20 0 DHADMM [O-]c1cccc(CN[C@H](c2nccs2)C(F)(F)F)c1Cl ZINC000628372610 1029023408 /nfs/dbraw/zinc/02/34/08/1029023408.db2.gz DIHRJCLXZJEABJ-SNVBAGLBSA-N -1 1 322.739 3.895 20 0 DHADMM O=C(Nc1cccc(Cl)c1O)c1ccc2oc(=S)[n-]c2c1 ZINC000816923562 1029032900 /nfs/dbraw/zinc/03/29/00/1029032900.db2.gz LMTKIAFBEJYEGE-UHFFFAOYSA-N -1 1 320.757 3.728 20 0 DHADMM C[C@H](c1ccccc1)N(C)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC001135911479 1029148630 /nfs/dbraw/zinc/14/86/30/1029148630.db2.gz KSXJQSWPVRZJBR-GFCCVEGCSA-N -1 1 324.355 3.913 20 0 DHADMM C[C@H](C(=O)[N-]OCCC1CC1)c1ccc(Cl)c(Cl)c1 ZINC000817416814 1029155574 /nfs/dbraw/zinc/15/55/74/1029155574.db2.gz WDZVEOFTLHPSTM-VIFPVBQESA-N -1 1 302.201 3.945 20 0 DHADMM CC(=O)Nc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000190811557 1029161670 /nfs/dbraw/zinc/16/16/70/1029161670.db2.gz HGUVGBPMTPMRLF-UHFFFAOYSA-N -1 1 308.740 3.755 20 0 DHADMM C[C@@H]1CC(F)(F)CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000628962391 1029197929 /nfs/dbraw/zinc/19/79/29/1029197929.db2.gz MNPGFXICWTYQGR-MRVPVSSYSA-N -1 1 323.261 3.671 20 0 DHADMM N#CC(=C([O-])C=CC1CCCCC1)c1cnc2ccccc2n1 ZINC000190994941 1029241133 /nfs/dbraw/zinc/24/11/33/1029241133.db2.gz SVQMWBWIHPVYFZ-NKSUMMKUSA-N -1 1 305.381 3.943 20 0 DHADMM CCO[C@H]1C[C@H]1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529538703 1029378494 /nfs/dbraw/zinc/37/84/94/1029378494.db2.gz KDRVLMHUJVKLQK-RISCZKNCSA-N -1 1 305.761 3.562 20 0 DHADMM C[C@@H]1C[C@@H](C)[C@H](C(=O)Nc2cc(Cl)c([O-])c3ccccc23)O1 ZINC000529540345 1029379687 /nfs/dbraw/zinc/37/96/87/1029379687.db2.gz YPEZYCOJUJUKRW-XIZWVBILSA-N -1 1 319.788 3.951 20 0 DHADMM CC(C)(O)CCC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529540320 1029380854 /nfs/dbraw/zinc/38/08/54/1029380854.db2.gz YDPSMOIDDOHBAB-UHFFFAOYSA-N -1 1 307.777 3.688 20 0 DHADMM CN(C(=O)c1cc(Cl)ccc1[O-])[C@@H]1CCc2ccccc21 ZINC001136144505 1029405467 /nfs/dbraw/zinc/40/54/67/1029405467.db2.gz XASCFJFJZNZJOH-OAHLLOKOSA-N -1 1 301.773 3.805 20 0 DHADMM CC[C@@H](C)c1ccc(C(=O)CSc2ncc(C)c(=O)[n-]2)cc1 ZINC000570698060 1029408865 /nfs/dbraw/zinc/40/88/65/1029408865.db2.gz DDICRSWZACFHMP-LLVKDONJSA-N -1 1 316.426 3.979 20 0 DHADMM Cn1cc(C(=O)Nc2cccc(F)c2[O-])c(C2CCCCC2)n1 ZINC000530006516 1029699570 /nfs/dbraw/zinc/69/95/70/1029699570.db2.gz PZKMQIWEIDEXNC-UHFFFAOYSA-N -1 1 317.364 3.565 20 0 DHADMM Cc1nc(CC2CC2)sc1C(=O)Nc1cccc(F)c1[O-] ZINC000530006446 1029700096 /nfs/dbraw/zinc/70/00/96/1029700096.db2.gz SFXNSCBEDJXOED-UHFFFAOYSA-N -1 1 306.362 3.501 20 0 DHADMM CC[C@H](C)n1ncc(C(=O)Nc2cccc(F)c2[O-])c1C1CC1 ZINC000530005459 1029710752 /nfs/dbraw/zinc/71/07/52/1029710752.db2.gz KTIDIQOWTZYZPM-JTQLQIEISA-N -1 1 317.364 3.829 20 0 DHADMM Cc1ccc(O)cc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000530143839 1029755636 /nfs/dbraw/zinc/75/56/36/1029755636.db2.gz BBTYPTCCPSSDGX-UHFFFAOYSA-N -1 1 319.426 3.700 20 0 DHADMM C[C@H]1CCC[C@@H](CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC001136405647 1029798560 /nfs/dbraw/zinc/79/85/60/1029798560.db2.gz VPHKQLWBDJEGDV-WDEREUQCSA-N -1 1 315.335 3.967 20 0 DHADMM C[C@@H]1C[C@H]1[C@H](NC(=O)c1ccc([O-])cn1)c1ccc(Cl)cc1 ZINC001136781058 1030396969 /nfs/dbraw/zinc/39/69/69/1030396969.db2.gz FQPGOCGJJLAARK-QSGSBWRWSA-N -1 1 316.788 3.568 20 0 DHADMM CC(C)[S@](C)(=O)=NC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000926056417 1030591042 /nfs/dbraw/zinc/59/10/42/1030591042.db2.gz YFNPZXDQFJAYJG-SFHVURJKSA-N -1 1 304.824 3.529 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)ccc1F ZINC000105591848 1030602832 /nfs/dbraw/zinc/60/28/32/1030602832.db2.gz HYEIJWOCVHOGSH-UHFFFAOYSA-N -1 1 315.316 3.873 20 0 DHADMM Cc1cccc([C@@H]2CCCCN2C(=O)c2ccc([O-])cn2)c1C ZINC001136978546 1030705100 /nfs/dbraw/zinc/70/51/00/1030705100.db2.gz KDOQNTIPFWRVPZ-SFHVURJKSA-N -1 1 310.397 3.771 20 0 DHADMM CC(C)(C)c1cc(COC(=O)Cc2ccc([O-])c(Cl)c2)no1 ZINC000869735369 1030847717 /nfs/dbraw/zinc/84/77/17/1030847717.db2.gz TWOJPPAPRDHRMF-UHFFFAOYSA-N -1 1 323.776 3.617 20 0 DHADMM C[C@@H](c1cccs1)N(C)C(=O)c1ncc2ccccc2c1[O-] ZINC001625982194 1030899414 /nfs/dbraw/zinc/89/94/14/1030899414.db2.gz CYPMRDSSPCZPRZ-NSHDSACASA-N -1 1 312.394 3.835 20 0 DHADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1cc(C(F)(F)F)ccc1F ZINC000263319965 1031181066 /nfs/dbraw/zinc/18/10/66/1031181066.db2.gz JIPMCGXQGCPOIK-ZJUUUORDSA-N -1 1 319.298 3.530 20 0 DHADMM Cc1c(F)cccc1-c1ccc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])o1 ZINC000263451777 1031196087 /nfs/dbraw/zinc/19/60/87/1031196087.db2.gz ZXUXNONKRGZNTQ-MRXNPFEDSA-N -1 1 317.360 3.833 20 0 DHADMM Cc1c(F)cccc1-c1ccc(CN2CCCC[C@@H]2C(=O)[O-])o1 ZINC000263451777 1031196093 /nfs/dbraw/zinc/19/60/93/1031196093.db2.gz ZXUXNONKRGZNTQ-MRXNPFEDSA-N -1 1 317.360 3.833 20 0 DHADMM Cc1cnc(C(=O)N2CCC[C@H]2[C@H](C)c2ccccc2)c([O-])c1 ZINC000928384674 1031295356 /nfs/dbraw/zinc/29/53/56/1031295356.db2.gz LUCWWLWLQJFJII-ZBFHGGJFSA-N -1 1 310.397 3.504 20 0 DHADMM COc1cc(C(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)cc(Cl)c1[O-] ZINC000360232582 1031339813 /nfs/dbraw/zinc/33/98/13/1031339813.db2.gz CPHBZGJESOQMKM-WCQYABFASA-N -1 1 323.820 3.705 20 0 DHADMM [O-]c1cccc(CN[C@@H]2CCOc3ccc(F)cc32)c1Cl ZINC000293564419 1031518142 /nfs/dbraw/zinc/51/81/42/1031518142.db2.gz MIYVOSRGMKEQSC-CYBMUJFWSA-N -1 1 307.752 3.798 20 0 DHADMM [O-]c1cccc(CN[C@H]2CCOc3ccc(F)cc32)c1Cl ZINC000293564421 1031518228 /nfs/dbraw/zinc/51/82/28/1031518228.db2.gz MIYVOSRGMKEQSC-ZDUSSCGKSA-N -1 1 307.752 3.798 20 0 DHADMM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNC(=O)c1cccc([O-])c1F ZINC001626145389 1031633374 /nfs/dbraw/zinc/63/33/74/1031633374.db2.gz ISCCQSTYMKAFMA-RDBSUJKOSA-N -1 1 307.409 3.970 20 0 DHADMM COc1ccc2c(c1)CN(Cc1cc(F)c([O-])cc1F)CCC2 ZINC001144663236 1031801753 /nfs/dbraw/zinc/80/17/53/1031801753.db2.gz AELZKELLCYEKSY-UHFFFAOYSA-N -1 1 319.351 3.627 20 0 DHADMM COc1ccccc1[C@@H](C)N(C)Cc1cc(F)c([O-])cc1F ZINC001144658163 1031813301 /nfs/dbraw/zinc/81/33/01/1031813301.db2.gz TWIYDDFXXPVBFJ-LLVKDONJSA-N -1 1 307.340 3.872 20 0 DHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC2(CCC2)CC1 ZINC000897744535 1031829261 /nfs/dbraw/zinc/82/92/61/1031829261.db2.gz ULNUIHDSGUFMPI-UHFFFAOYSA-N -1 1 311.381 3.657 20 0 DHADMM CC(C)[C@H]1CCC[C@H](NC(=O)c2ncc3ccccc3c2[O-])C1 ZINC001144746228 1031934010 /nfs/dbraw/zinc/93/40/10/1031934010.db2.gz WEPDDYVCEPXUOG-ZFWWWQNUSA-N -1 1 312.413 3.885 20 0 DHADMM CC[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)c1ccccc1F ZINC001144761983 1031944253 /nfs/dbraw/zinc/94/42/53/1031944253.db2.gz LQSOIJSHASLZBO-HNNXBMFYSA-N -1 1 321.779 3.995 20 0 DHADMM CCOc1ccc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)cc1 ZINC001212689674 1033462547 /nfs/dbraw/zinc/46/25/47/1033462547.db2.gz LVADWEOHUXGHKK-UHFFFAOYSA-N -1 1 324.262 3.544 20 0 DHADMM CCOc1ccc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)cc1 ZINC001212689674 1033462554 /nfs/dbraw/zinc/46/25/54/1033462554.db2.gz LVADWEOHUXGHKK-UHFFFAOYSA-N -1 1 324.262 3.544 20 0 DHADMM CC[N@@H+](Cc1nnc(-c2ccccc2O)o1)Cc1ccccc1C ZINC000877929519 1033518904 /nfs/dbraw/zinc/51/89/04/1033518904.db2.gz GKIZDINNNUFZMC-UHFFFAOYSA-N -1 1 323.396 3.773 20 0 DHADMM Cc1ccc(C)c(NC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001202769298 1033977409 /nfs/dbraw/zinc/97/74/09/1033977409.db2.gz PVRCJDHUZGVUKQ-UHFFFAOYSA-N -1 1 322.368 3.839 20 0 DHADMM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cc(F)ccc1[O-] ZINC001137144229 1033987761 /nfs/dbraw/zinc/98/77/61/1033987761.db2.gz OKWDUSAYHXVMFE-DYZYQPBXSA-N -1 1 317.335 3.724 20 0 DHADMM O=C(c1ccc(Nc2c([O-])cc(F)cc2F)cc1)N1CCCC1 ZINC001174067600 1034063235 /nfs/dbraw/zinc/06/32/35/1034063235.db2.gz GIOSNQUWZJECHL-UHFFFAOYSA-N -1 1 318.323 3.650 20 0 DHADMM CC(C)CNC(=O)c1ccc(Nc2cc([O-])c(F)c(F)c2)cc1 ZINC001174078869 1034135722 /nfs/dbraw/zinc/13/57/22/1034135722.db2.gz MYTGVJCKQYRSTB-UHFFFAOYSA-N -1 1 320.339 3.800 20 0 DHADMM CC(C)(C)NC(=O)c1ccc(Nc2cc([O-])c(F)c(F)c2)cc1 ZINC001174127347 1034150720 /nfs/dbraw/zinc/15/07/20/1034150720.db2.gz LXOZNWMQLVLSQS-UHFFFAOYSA-N -1 1 320.339 3.942 20 0 DHADMM CC(C)CNC(=O)c1cccc(Nc2c([O-])cc(F)cc2F)c1 ZINC001174192299 1034210213 /nfs/dbraw/zinc/21/02/13/1034210213.db2.gz CKTIKXKNXIZQGF-UHFFFAOYSA-N -1 1 320.339 3.800 20 0 DHADMM O=c1[n-]c(F)c(Cl)c(Nc2ccc3nccn3c2)c1Cl ZINC001174277164 1034271089 /nfs/dbraw/zinc/27/10/89/1034271089.db2.gz LKYIMRGEJGJSIK-UHFFFAOYSA-N -1 1 313.119 3.624 20 0 DHADMM O=c1ccn(-c2ccc(Nc3ccnc(C(F)(F)F)c3)cc2)[n-]1 ZINC001174363130 1034337853 /nfs/dbraw/zinc/33/78/53/1034337853.db2.gz GVPYJMHRQODNLS-UHFFFAOYSA-N -1 1 320.274 3.735 20 0 DHADMM CCc1cnc(CN[C@@H](CC(=O)[O-])c2ccccc2CC)s1 ZINC000864527877 1034377668 /nfs/dbraw/zinc/37/76/68/1034377668.db2.gz JLWLEBYSYAUUIE-HNNXBMFYSA-N -1 1 318.442 3.574 20 0 DHADMM CCC1(CC)CCN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)CC1 ZINC000777394416 1034380875 /nfs/dbraw/zinc/38/08/75/1034380875.db2.gz CVNAWBRYHYMDKM-UHFFFAOYSA-N -1 1 319.449 3.656 20 0 DHADMM [O-]c1c(Br)c(F)ccc1Nc1ccc2cn[nH]c2c1 ZINC001174501565 1034458812 /nfs/dbraw/zinc/45/88/12/1034458812.db2.gz ZNCZLJUWCIIRET-UHFFFAOYSA-N -1 1 322.137 3.914 20 0 DHADMM [O-]c1c(Br)c(F)ccc1Nc1ccc2c[nH]nc2c1 ZINC001174501565 1034458827 /nfs/dbraw/zinc/45/88/27/1034458827.db2.gz ZNCZLJUWCIIRET-UHFFFAOYSA-N -1 1 322.137 3.914 20 0 DHADMM COc1cc(Nc2cc(Cl)cc(Cl)c2[O-])cnc1OC ZINC001174548144 1034501970 /nfs/dbraw/zinc/50/19/70/1034501970.db2.gz MNMCAZRGUWIMOH-UHFFFAOYSA-N -1 1 315.156 3.855 20 0 DHADMM CCC(=O)[C@@H]1CCCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000185820732 1034575671 /nfs/dbraw/zinc/57/56/71/1034575671.db2.gz GARJBOYRHKTORF-INIZCTEOSA-N -1 1 311.381 3.519 20 0 DHADMM CC(C)(C)OCc1ccc(-n2[n-]c(=O)c3ccc(N)cc32)cc1 ZINC001174916413 1034680317 /nfs/dbraw/zinc/68/03/17/1034680317.db2.gz XBSYHJYXLWNULC-UHFFFAOYSA-N -1 1 311.385 3.628 20 0 DHADMM O=C([O-])Cc1ccc(Nc2ccncc2Oc2ccccc2)cc1 ZINC001174949260 1034702659 /nfs/dbraw/zinc/70/26/59/1034702659.db2.gz HTIRQLZLZHRZGB-UHFFFAOYSA-N -1 1 320.348 3.667 20 0 DHADMM CCOC(=O)c1cnoc1[N-]c1ccc(F)cc1C(F)(F)F ZINC001175101250 1034781567 /nfs/dbraw/zinc/78/15/67/1034781567.db2.gz AREZHXRVRUOYLF-UHFFFAOYSA-N -1 1 318.226 3.753 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCC(C)(C)C[C@H]1C ZINC000843812893 1034864633 /nfs/dbraw/zinc/86/46/33/1034864633.db2.gz PNUUCNLYBXXIHB-DGCLKSJQSA-N -1 1 319.449 3.559 20 0 DHADMM COc1ccc(Nc2cc(Cl)cc(Cl)c2[O-])c(OC)n1 ZINC001175583953 1035031784 /nfs/dbraw/zinc/03/17/84/1035031784.db2.gz HNISHZXZCQAKEH-UHFFFAOYSA-N -1 1 315.156 3.855 20 0 DHADMM CCOc1ncc(Nc2cc(Cl)c(C)c(Cl)c2[O-])cn1 ZINC001175559026 1035042341 /nfs/dbraw/zinc/04/23/41/1035042341.db2.gz NQGCFYGLNQLIRZ-UHFFFAOYSA-N -1 1 314.172 3.940 20 0 DHADMM COCCOc1ccc(Nc2cc([O-])c(Cl)cc2F)cc1 ZINC001175785236 1035121045 /nfs/dbraw/zinc/12/10/45/1035121045.db2.gz KRGGXXRFFNDCSO-UHFFFAOYSA-N -1 1 311.740 3.954 20 0 DHADMM COc1cccc([N-]c2nnc(Br)s2)c1Cl ZINC001175893383 1035140442 /nfs/dbraw/zinc/14/04/42/1035140442.db2.gz CDWZHODWWRQJJP-UHFFFAOYSA-N -1 1 320.599 3.706 20 0 DHADMM CCOc1ccc2ccccc2c1-n1[n-]c(=O)c2cc(N)ccc21 ZINC001175979382 1035172809 /nfs/dbraw/zinc/17/28/09/1035172809.db2.gz BWFKXTIMIULYSB-UHFFFAOYSA-N -1 1 319.364 3.865 20 0 DHADMM Cc1nnc(-c2cccc(Nc3c([O-])cc(F)cc3F)c2)o1 ZINC001175994821 1035177251 /nfs/dbraw/zinc/17/72/51/1035177251.db2.gz MNGOROBFGOUEJD-UHFFFAOYSA-N -1 1 303.268 3.772 20 0 DHADMM [S-]c1cc(Br)ccc1Nc1ccc2nn[nH]c2c1 ZINC001176004059 1035183286 /nfs/dbraw/zinc/18/32/86/1035183286.db2.gz ZDAVJSSJJQVVEE-UHFFFAOYSA-N -1 1 321.203 3.753 20 0 DHADMM [S-]c1cc(Br)ccc1Nc1ccc2n[nH]nc2c1 ZINC001176004059 1035183289 /nfs/dbraw/zinc/18/32/89/1035183289.db2.gz ZDAVJSSJJQVVEE-UHFFFAOYSA-N -1 1 321.203 3.753 20 0 DHADMM O=C(COC(=O)c1ccc([O-])cc1F)c1cccc2ccccc21 ZINC000773566420 1035251076 /nfs/dbraw/zinc/25/10/76/1035251076.db2.gz NKSKYSSOCNTXNC-UHFFFAOYSA-N -1 1 324.307 3.724 20 0 DHADMM O=C(OCc1ncc(-c2cccs2)o1)c1ccc([O-])cc1F ZINC000773577178 1035263170 /nfs/dbraw/zinc/26/31/70/1035263170.db2.gz SKFFVMQPVMSLQM-UHFFFAOYSA-N -1 1 319.313 3.605 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ncc(Cl)nc2Cl)c1F ZINC001176663643 1035308979 /nfs/dbraw/zinc/30/89/79/1035308979.db2.gz JOKNUPQUQMONGZ-UHFFFAOYSA-N -1 1 310.062 3.650 20 0 DHADMM Cc1cnn(CC2CCC2)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176663700 1035309311 /nfs/dbraw/zinc/30/93/11/1035309311.db2.gz LFTYNQQNAUXJFG-UHFFFAOYSA-N -1 1 311.307 3.858 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ncccc2N2CCCCC2)c1F ZINC001176664736 1035309456 /nfs/dbraw/zinc/30/94/56/1035309456.db2.gz ZMVCWIMTUHDZOF-UHFFFAOYSA-N -1 1 323.318 3.938 20 0 DHADMM COC(=O)/C=C/c1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1 ZINC001176674857 1035311324 /nfs/dbraw/zinc/31/13/24/1035311324.db2.gz YQUHIQSYYRXZFJ-QPJJXVBHSA-N -1 1 323.270 3.739 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cncc(N3CCCC3)c2)c1F ZINC001176662958 1035318175 /nfs/dbraw/zinc/31/81/75/1035318175.db2.gz FEWMYMWAYUSOJH-UHFFFAOYSA-N -1 1 309.291 3.548 20 0 DHADMM CC[C@@H](C(=O)NCc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC001176988862 1035340562 /nfs/dbraw/zinc/34/05/62/1035340562.db2.gz SOJLKYFESIKPAV-CQSZACIVSA-N -1 1 303.789 3.856 20 0 DHADMM CCO[C@@H](c1noc(Cc2ccc([O-])c(Cl)c2)n1)C(C)C ZINC000904127554 1035370332 /nfs/dbraw/zinc/37/03/32/1035370332.db2.gz OUQBNORPYIWKBD-CQSZACIVSA-N -1 1 310.781 3.753 20 0 DHADMM COCc1ccccc1S(=O)(=O)[N-]c1cccc(C(C)C)c1 ZINC000484622857 1035380381 /nfs/dbraw/zinc/38/03/81/1035380381.db2.gz UANDYMSPLDQAFS-UHFFFAOYSA-N -1 1 319.426 3.757 20 0 DHADMM CCCc1ccc([C@@H](N[C@H](C)C(=O)[O-])c2cccs2)cc1 ZINC000904204802 1035385617 /nfs/dbraw/zinc/38/56/17/1035385617.db2.gz ZDKDTQMNBLYXAK-MLGOLLRUSA-N -1 1 303.427 3.853 20 0 DHADMM O=c1cc(C2CC2)nc(SCc2ccc(-n3ccnc3)cc2)[n-]1 ZINC000195083804 1035411472 /nfs/dbraw/zinc/41/14/72/1035411472.db2.gz DNUMJUIKXYJUHJ-UHFFFAOYSA-N -1 1 324.409 3.538 20 0 DHADMM COc1cnc(C=Cc2cccc(OC(C)(C)C)c2)[n-]c1=O ZINC000905077462 1035477674 /nfs/dbraw/zinc/47/76/74/1035477674.db2.gz WYRUZIVGMLPZHH-HJWRWDBZSA-N -1 1 300.358 3.539 20 0 DHADMM CC(C)CC[C@H](C)NC(=O)c1ccc(Br)cc1[O-] ZINC000069234769 1035477979 /nfs/dbraw/zinc/47/79/79/1035477979.db2.gz KHJYLYUUADOZNJ-JTQLQIEISA-N -1 1 314.223 3.709 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)C1(Oc2ccccc2)CC1 ZINC001179659792 1035487488 /nfs/dbraw/zinc/48/74/88/1035487488.db2.gz DWSXYEBVUQIVEI-UHFFFAOYSA-N -1 1 321.735 3.735 20 0 DHADMM C[C@H](C(=O)Nc1cc(F)c([O-])cc1Cl)c1cccc(O)c1 ZINC001179659835 1035488387 /nfs/dbraw/zinc/48/83/87/1035488387.db2.gz HMQPAKCBOABTJJ-QMMMGPOBSA-N -1 1 309.724 3.633 20 0 DHADMM CCCOc1ccc(NC(=O)c2ccc(OC)cc2[O-])c(C)c1 ZINC000195534545 1035601016 /nfs/dbraw/zinc/60/10/16/1035601016.db2.gz SGOBWWSYMQVXEW-UHFFFAOYSA-N -1 1 315.369 3.750 20 0 DHADMM CCCCOc1ccccc1NC(=O)c1ccc(OC)cc1[O-] ZINC000195535224 1035604025 /nfs/dbraw/zinc/60/40/25/1035604025.db2.gz OYDVCUHTONHNMW-UHFFFAOYSA-N -1 1 315.369 3.832 20 0 DHADMM CC(C)c1ccc2c(c1)[C@@H](NCc1ccc(C(=O)[O-])cn1)CC2 ZINC000905728779 1035630252 /nfs/dbraw/zinc/63/02/52/1035630252.db2.gz SBZPOKIFRKFDAR-SFHVURJKSA-N -1 1 310.397 3.680 20 0 DHADMM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccccc1N ZINC001193932480 1035765948 /nfs/dbraw/zinc/76/59/48/1035765948.db2.gz QOUGPJUKSYSNFP-UHFFFAOYSA-N -1 1 318.442 3.503 20 0 DHADMM Cc1nc(SCc2csc(-c3ccco3)n2)[n-]c(=O)c1C ZINC000539617614 1035796516 /nfs/dbraw/zinc/79/65/16/1035796516.db2.gz LLKSBQKDXDNFPD-UHFFFAOYSA-N -1 1 319.411 3.808 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c3ncccc23)cc1 ZINC000193125914 1035837872 /nfs/dbraw/zinc/83/78/72/1035837872.db2.gz BSWZKSLATGTHPZ-UHFFFAOYSA-N -1 1 312.394 3.652 20 0 DHADMM CCCCCCOC(=O)Nc1nc(Br)ccc1[O-] ZINC001194157917 1035851977 /nfs/dbraw/zinc/85/19/77/1035851977.db2.gz UNLKMNIERAVFCB-UHFFFAOYSA-N -1 1 317.183 3.679 20 0 DHADMM O=C(Nc1ccc(Br)cc1[O-])Oc1ccccc1 ZINC001194247056 1035889240 /nfs/dbraw/zinc/88/92/40/1035889240.db2.gz CFWZSDYLKGZZOE-UHFFFAOYSA-N -1 1 308.131 3.766 20 0 DHADMM CCCCCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000032548648 1035943713 /nfs/dbraw/zinc/94/37/13/1035943713.db2.gz PWQQAJNDOSTZTG-UHFFFAOYSA-N -1 1 316.275 3.914 20 0 DHADMM [O-]c1ccc(CNc2ccc([C@H]3CCOC3)cc2)c(F)c1F ZINC001182063704 1036091336 /nfs/dbraw/zinc/09/13/36/1036091336.db2.gz YDBOYRNGTLCILC-ZDUSSCGKSA-N -1 1 305.324 3.786 20 0 DHADMM Cc1ccc2cccc([N-]S(=O)(=O)CC[Si](C)(C)C)c2n1 ZINC001195072689 1036126054 /nfs/dbraw/zinc/12/60/54/1036126054.db2.gz SKGFQQCNBFYFTQ-UHFFFAOYSA-N -1 1 322.506 3.623 20 0 DHADMM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cccc(F)c1F ZINC001195267569 1036197949 /nfs/dbraw/zinc/19/79/49/1036197949.db2.gz GGEGRNYZLFTONX-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM CC(C)[C@H](NC(=O)c1cc([O-])cnc1Cl)c1ccc(F)cc1 ZINC001195311975 1036219254 /nfs/dbraw/zinc/21/92/54/1036219254.db2.gz DUFXZKYHNGWXIM-AWEZNQCLSA-N -1 1 322.767 3.707 20 0 DHADMM O=C([N-]c1nnco1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC001195390279 1036244279 /nfs/dbraw/zinc/24/42/79/1036244279.db2.gz QJUWOOZPFNTGRC-UHFFFAOYSA-N -1 1 324.123 3.889 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1ccc(Cl)c(Cl)c1F ZINC001195486924 1036268553 /nfs/dbraw/zinc/26/85/53/1036268553.db2.gz NFCSRASOFLCKLS-UHFFFAOYSA-N -1 1 311.165 3.575 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1ccccc1-c1ccc(C)o1 ZINC001195491094 1036270264 /nfs/dbraw/zinc/27/02/64/1036270264.db2.gz QIINKDQEHCFXDK-UHFFFAOYSA-N -1 1 304.371 3.698 20 0 DHADMM Cc1ccc2ccccc2c1[N-]S(=O)(=O)c1ccc(O)cc1 ZINC001195755472 1036328153 /nfs/dbraw/zinc/32/81/53/1036328153.db2.gz NXWLBKZBBOGPLK-UHFFFAOYSA-N -1 1 313.378 3.655 20 0 DHADMM Cc1ccc(F)cc1NC(=S)Nc1cc(F)cc(F)c1[O-] ZINC001195918426 1036386286 /nfs/dbraw/zinc/38/62/86/1036386286.db2.gz AYAJYHKQLZRGCZ-UHFFFAOYSA-N -1 1 312.316 3.927 20 0 DHADMM CCCC[C@H](C)N(CCCC)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000908441436 1036410846 /nfs/dbraw/zinc/41/08/46/1036410846.db2.gz QLNYRTOFRXNREC-ZDUSSCGKSA-N -1 1 319.449 3.881 20 0 DHADMM CC(F)(F)CCC(=O)Nc1cccc([O-])c1Br ZINC000908714724 1036490460 /nfs/dbraw/zinc/49/04/60/1036490460.db2.gz KWMRRXKFZSNWHG-UHFFFAOYSA-N -1 1 308.122 3.529 20 0 DHADMM CCCC(C)(C)C(=O)Nc1cccc([O-])c1Br ZINC000908707908 1036486149 /nfs/dbraw/zinc/48/61/49/1036486149.db2.gz OVNLLWILEXFTMS-UHFFFAOYSA-N -1 1 300.196 3.920 20 0 DHADMM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)Nc1cccc([O-])c1Br ZINC000908707845 1036486840 /nfs/dbraw/zinc/48/68/40/1036486840.db2.gz LXLGENHQKHPWQX-UTLUCORTSA-N -1 1 310.191 3.529 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000908708265 1036486872 /nfs/dbraw/zinc/48/68/72/1036486872.db2.gz SXCPAXPAFOHZGV-IVZWLZJFSA-N -1 1 310.191 3.529 20 0 DHADMM C[C@]1(C(=O)Nc2cccc([O-])c2Br)C[C@H]2C[C@H]2C1 ZINC000908707822 1036487165 /nfs/dbraw/zinc/48/71/65/1036487165.db2.gz LGLAKANCZUOECS-QRJZZWFUSA-N -1 1 310.191 3.529 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)C(F)=C1CCCC1 ZINC000908710171 1036489233 /nfs/dbraw/zinc/48/92/33/1036489233.db2.gz YQPWUFXTVQZVIS-UHFFFAOYSA-N -1 1 314.154 3.891 20 0 DHADMM C[C@@H]1CCC[C@H](C(=O)Nc2cccc([O-])c2Br)C1 ZINC000908713999 1036489801 /nfs/dbraw/zinc/48/98/01/1036489801.db2.gz YGMAURQWUGCZSH-ZJUUUORDSA-N -1 1 312.207 3.920 20 0 DHADMM CC1(C)CCC[C@@H]1C(=O)Nc1cccc([O-])c1Br ZINC000908710453 1036490366 /nfs/dbraw/zinc/49/03/66/1036490366.db2.gz QPLZBNMBZVVAOQ-SECBINFHSA-N -1 1 312.207 3.920 20 0 DHADMM CC(C)(CC1CCC1)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001183931059 1036701474 /nfs/dbraw/zinc/70/14/74/1036701474.db2.gz BWFXKZNEYKIZGZ-UHFFFAOYSA-N -1 1 313.401 3.733 20 0 DHADMM C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2cc([O-])c(F)cc2F)o1 ZINC000909976376 1036729784 /nfs/dbraw/zinc/72/97/84/1036729784.db2.gz YWTKFSJKKQDIMF-MWLCHTKSSA-N -1 1 321.323 3.958 20 0 DHADMM Cc1csc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c1 ZINC001197646273 1036823197 /nfs/dbraw/zinc/82/31/97/1036823197.db2.gz VJNAGTVXZPXDDS-UHFFFAOYSA-N -1 1 319.810 3.791 20 0 DHADMM Cc1cccc(NC(=O)NCCc2c(F)cc([O-])cc2F)c1C ZINC001197793541 1036873422 /nfs/dbraw/zinc/87/34/22/1036873422.db2.gz DTTVFFAWLNYOIF-UHFFFAOYSA-N -1 1 320.339 3.651 20 0 DHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])c1cnccc1C1CC1 ZINC001197854739 1036880873 /nfs/dbraw/zinc/88/08/73/1036880873.db2.gz GQXUVKMXSXCLMP-UHFFFAOYSA-N -1 1 322.286 3.936 20 0 DHADMM CCC1(CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)CCCCC1 ZINC000762763753 1036937227 /nfs/dbraw/zinc/93/72/27/1036937227.db2.gz ATUHFTPTWYJGRP-UHFFFAOYSA-N -1 1 319.449 3.704 20 0 DHADMM CCc1csc([C@@H](C)NC(=O)c2c([O-])cccc2Cl)n1 ZINC000910731438 1036937451 /nfs/dbraw/zinc/93/74/51/1036937451.db2.gz XFPQQJFUOQHUII-MRVPVSSYSA-N -1 1 310.806 3.556 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC(C(F)F)CC1 ZINC000307874843 1037016143 /nfs/dbraw/zinc/01/61/43/1037016143.db2.gz DADDSAQBRYASAN-UHFFFAOYSA-N -1 1 305.324 3.663 20 0 DHADMM CC(C)(C)c1ncsc1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910983506 1037019805 /nfs/dbraw/zinc/01/98/05/1037019805.db2.gz WXBGMELXYXUNNK-UHFFFAOYSA-N -1 1 312.341 3.677 20 0 DHADMM Cc1nc(CC2CC2)sc1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910988436 1037021955 /nfs/dbraw/zinc/02/19/55/1037021955.db2.gz FPSJBPJXPGVIHM-UHFFFAOYSA-N -1 1 324.352 3.640 20 0 DHADMM O=C([O-])CC[C@@H]1CCCCN1Cc1csc(-c2ccco2)n1 ZINC000315622303 1037048793 /nfs/dbraw/zinc/04/87/93/1037048793.db2.gz OJPMZLMUXWRGRZ-ZDUSSCGKSA-N -1 1 320.414 3.622 20 0 DHADMM COc1ccc(-c2nc(Cc3cccc(Cl)c3)no2)c([O-])c1 ZINC000315991535 1037063832 /nfs/dbraw/zinc/06/38/32/1037063832.db2.gz HXGKBVPACFSFDY-UHFFFAOYSA-N -1 1 316.744 3.695 20 0 DHADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(OCC(C)C)c1 ZINC000316507072 1037119961 /nfs/dbraw/zinc/11/99/61/1037119961.db2.gz XPIPBYUOADRVMH-UHFFFAOYSA-N -1 1 319.426 3.831 20 0 DHADMM Cc1cc([N-]S(=O)(=O)c2ccc3occc3c2)ccc1F ZINC001198816682 1037137872 /nfs/dbraw/zinc/13/78/72/1037137872.db2.gz MBEBCDOALPEWIY-UHFFFAOYSA-N -1 1 305.330 3.681 20 0 DHADMM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2C)cc(F)c1F ZINC001185836111 1037246029 /nfs/dbraw/zinc/24/60/29/1037246029.db2.gz BVCFKKWARFWFGW-UHFFFAOYSA-N -1 1 315.316 3.522 20 0 DHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(OC(C)C)c1 ZINC001185824731 1037250721 /nfs/dbraw/zinc/25/07/21/1037250721.db2.gz JPACYTGIZLSMBR-UHFFFAOYSA-N -1 1 323.389 3.722 20 0 DHADMM O=C1[N-]C(=O)C(=Cc2csc(-c3ccc(Cl)cc3)n2)S1 ZINC000915840024 1037260754 /nfs/dbraw/zinc/26/07/54/1037260754.db2.gz MADZPATZGNDLGE-BJMVGYQFSA-N -1 1 322.798 3.787 20 0 DHADMM Cc1[nH]nc2cc(NC(=O)c3cccc([S-])c3)cc(F)c12 ZINC001186153168 1037324192 /nfs/dbraw/zinc/32/41/92/1037324192.db2.gz XVHAYNRRUZPUIY-UHFFFAOYSA-N -1 1 301.346 3.551 20 0 DHADMM [O-]c1cc(F)c(F)cc1NC(=S)NCC1CCCCC1 ZINC001199927402 1037371706 /nfs/dbraw/zinc/37/17/06/1037371706.db2.gz XADFDMUUNSXPHZ-UHFFFAOYSA-N -1 1 300.374 3.537 20 0 DHADMM CC(=O)Oc1ccc(F)c(Nc2c(F)ccc([O-])c2Cl)c1 ZINC001250237861 1037391195 /nfs/dbraw/zinc/39/11/95/1037391195.db2.gz OXHPXUYCVLICFA-UHFFFAOYSA-N -1 1 313.687 3.993 20 0 DHADMM O=c1cc(CSc2ccc(F)cc2)c2ccc([O-])cc2o1 ZINC000005204481 1037409735 /nfs/dbraw/zinc/40/97/35/1037409735.db2.gz FRXBXVXZDJLZNL-UHFFFAOYSA-N -1 1 302.326 3.930 20 0 DHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c1 ZINC000007402727 1037492940 /nfs/dbraw/zinc/49/29/40/1037492940.db2.gz UYQNQCBTJCHJJM-UHFFFAOYSA-N -1 1 323.801 3.652 20 0 DHADMM CC(C)CC1([N-]S(=O)(=O)c2ccco2)CCC(F)(F)CC1 ZINC001186883406 1037514889 /nfs/dbraw/zinc/51/48/89/1037514889.db2.gz AATWWGGOCAGSMC-UHFFFAOYSA-N -1 1 321.389 3.552 20 0 DHADMM Cc1cc(NC(=S)Nc2cc([O-])c(F)cc2F)ccc1F ZINC001201035724 1037515809 /nfs/dbraw/zinc/51/58/09/1037515809.db2.gz NPXBSGHCWLPOEC-UHFFFAOYSA-N -1 1 312.316 3.927 20 0 DHADMM CC1(CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)CC(F)(F)C1 ZINC000914355326 1037583118 /nfs/dbraw/zinc/58/31/18/1037583118.db2.gz GFHKYLRRQAFZLP-UHFFFAOYSA-N -1 1 323.261 3.576 20 0 DHADMM CC[C@@H](C)c1ccc(NC(=O)c2n[n-]nc2C(F)(F)F)cc1 ZINC001187757028 1037722177 /nfs/dbraw/zinc/72/21/77/1037722177.db2.gz PEBNVTCAHOYZDK-MRVPVSSYSA-N -1 1 312.295 3.589 20 0 DHADMM O=C([N-]c1cc(F)c(F)cc1F)c1c(F)ccc(F)c1F ZINC000185231647 1037788446 /nfs/dbraw/zinc/78/84/46/1037788446.db2.gz PPWIZFKNYKFUBX-UHFFFAOYSA-N -1 1 305.177 3.774 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@@H](Cc2ccccc2)C1 ZINC000126165089 1038042634 /nfs/dbraw/zinc/04/26/34/1038042634.db2.gz NRBFSKHMVGYPCC-AWEZNQCLSA-N -1 1 315.800 3.750 20 0 DHADMM C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)CC1 ZINC001189320761 1038126778 /nfs/dbraw/zinc/12/67/78/1038126778.db2.gz JBDNFMOAUOEGFC-JQWIXIFHSA-N -1 1 319.829 3.726 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])c1cnc2c(F)ccc(F)c2c1 ZINC001151779617 1038178100 /nfs/dbraw/zinc/17/81/00/1038178100.db2.gz ICBFMOSYICIXJQ-UHFFFAOYSA-N -1 1 318.254 3.610 20 0 DHADMM Cc1ccc([O-])c(C(=O)/C=C/c2c(Cl)nc(Cl)n2C)c1 ZINC000156696583 1038197930 /nfs/dbraw/zinc/19/79/30/1038197930.db2.gz CJNKBPXTXSZVKH-GQCTYLIASA-N -1 1 311.168 3.637 20 0 DHADMM CC(C)=CCC[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC001190463887 1038324576 /nfs/dbraw/zinc/32/45/76/1038324576.db2.gz BXTNZURMHOBYON-SNVBAGLBSA-N -1 1 321.364 3.517 20 0 DHADMM O=S(=O)([N-]c1ccc2cnoc2c1)c1ccc(C2CC2)cc1 ZINC001190500806 1038328759 /nfs/dbraw/zinc/32/87/59/1038328759.db2.gz ZJSQBENZYNVLIC-UHFFFAOYSA-N -1 1 314.366 3.506 20 0 DHADMM Cc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190500505 1038330776 /nfs/dbraw/zinc/33/07/76/1038330776.db2.gz PXHJRKMKPMELFK-UHFFFAOYSA-N -1 1 323.364 3.951 20 0 DHADMM O=C(NCCCc1ccccc1)Nc1cc([O-])c(Cl)cc1F ZINC001191200442 1038460042 /nfs/dbraw/zinc/46/00/42/1038460042.db2.gz VTSHJLZXCUPGFN-UHFFFAOYSA-N -1 1 322.767 3.939 20 0 DHADMM CCCCc1ccc(S(=O)(=O)[N-]c2ccc(CC)nc2)cc1 ZINC001191233516 1038473246 /nfs/dbraw/zinc/47/32/46/1038473246.db2.gz OVHSHHKEMUKNED-UHFFFAOYSA-N -1 1 318.442 3.787 20 0 DHADMM CC[C@H]1CC[N@H+]([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000572609483 1038474115 /nfs/dbraw/zinc/47/41/15/1038474115.db2.gz RCKPPIZUPUBBKA-TVQRCGJNSA-N -1 1 302.201 3.851 20 0 DHADMM CC[C@H]1CC[N@H+]([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000572609484 1038474128 /nfs/dbraw/zinc/47/41/28/1038474128.db2.gz RCKPPIZUPUBBKA-ZANVPECISA-N -1 1 302.201 3.851 20 0 DHADMM O=S(=O)(CC1CCCC1)[N-]c1cccc(-c2ccccc2)n1 ZINC001191489514 1038509510 /nfs/dbraw/zinc/50/95/10/1038509510.db2.gz QYPKYVKYNCOWNJ-UHFFFAOYSA-N -1 1 316.426 3.681 20 0 DHADMM Cc1ccc(C(F)(F)F)c([N-]S(=O)(=O)CC2CCCC2)c1 ZINC001191527094 1038515212 /nfs/dbraw/zinc/51/52/12/1038515212.db2.gz RVTZNMPMGJOVPP-UHFFFAOYSA-N -1 1 321.364 3.946 20 0 DHADMM CC(C)c1ocnc1C(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000775500297 1038582662 /nfs/dbraw/zinc/58/26/62/1038582662.db2.gz BCTMLVMCBNIZPY-UHFFFAOYSA-N -1 1 300.692 3.982 20 0 DHADMM C[C@@H]1C[C@H](NC(=O)c2c(F)ccc([O-])c2F)c2ccccc21 ZINC001192551026 1038673231 /nfs/dbraw/zinc/67/32/31/1038673231.db2.gz ALUHRYNAIKJTMD-RNCFNFMXSA-N -1 1 303.308 3.649 20 0 DHADMM O=C(Nc1ccnc(Cl)c1Cl)c1cc([O-])cc(F)c1F ZINC001192651971 1038687414 /nfs/dbraw/zinc/68/74/14/1038687414.db2.gz REPNSPUBKSNMQK-UHFFFAOYSA-N -1 1 319.094 3.625 20 0 DHADMM Cc1cccc(OCCCC(=O)Nc2c([O-])cccc2F)c1 ZINC000605439062 1039680819 /nfs/dbraw/zinc/68/08/19/1039680819.db2.gz UUSGWSWNXWQRLW-UHFFFAOYSA-N -1 1 303.333 3.637 20 0 DHADMM Cc1noc(C)c1[N-]C(=O)c1c(C)onc1-c1ccc(F)cc1 ZINC000063447172 1040278745 /nfs/dbraw/zinc/27/87/45/1040278745.db2.gz LAVSFMDJFJHAIG-UHFFFAOYSA-N -1 1 315.304 3.646 20 0 DHADMM O=C(Nc1c([O-])cccc1F)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000608367002 1040473321 /nfs/dbraw/zinc/47/33/21/1040473321.db2.gz GBPRIGJIOXVITK-GXSJLCMTSA-N -1 1 307.271 3.552 20 0 DHADMM Cc1nc2ccccc2c(C)c1CC(=O)Nc1c([O-])cccc1F ZINC000608365409 1040474654 /nfs/dbraw/zinc/47/46/54/1040474654.db2.gz JLZNYYSRLCXUCZ-UHFFFAOYSA-N -1 1 324.355 3.878 20 0 DHADMM O=C(Nc1c([O-])cccc1F)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000608367297 1040475627 /nfs/dbraw/zinc/47/56/27/1040475627.db2.gz VVHKFNWICGBMSS-GHMZBOCLSA-N -1 1 307.271 3.552 20 0 DHADMM CC[C@H]1CCC[C@@H]1CNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000456053119 1040694084 /nfs/dbraw/zinc/69/40/84/1040694084.db2.gz XYVAQCMAKVEJDU-WDEREUQCSA-N -1 1 311.809 3.610 20 0 DHADMM O=C(Cc1ccc2c(c1)CCCC2)Nc1ccc([O-])c(F)c1F ZINC000456796877 1040914699 /nfs/dbraw/zinc/91/46/99/1040914699.db2.gz XIJWQHXFZWNWDL-UHFFFAOYSA-N -1 1 317.335 3.730 20 0 DHADMM Cc1ccc(C(=O)Nc2ccc([O-])c(F)c2F)c(C2CC2)n1 ZINC000456787579 1040920664 /nfs/dbraw/zinc/92/06/64/1040920664.db2.gz QEOUUNPYEQMORC-UHFFFAOYSA-N -1 1 304.296 3.504 20 0 DHADMM CC(C)[C@H]1N(C(=O)c2c(F)ccc([O-])c2F)CC12CCCC2 ZINC000457103917 1041022163 /nfs/dbraw/zinc/02/21/63/1041022163.db2.gz BFZAQQNZVOUCHE-OAHLLOKOSA-N -1 1 309.356 3.711 20 0 DHADMM CCOc1cc(C(=O)N2CC(C(C)(C)C)C2)cc(Cl)c1[O-] ZINC000457329682 1041086228 /nfs/dbraw/zinc/08/62/28/1041086228.db2.gz NIANTMMAZHNGOW-UHFFFAOYSA-N -1 1 311.809 3.562 20 0 DHADMM O=C([O-])C[C@H](NCc1sccc1Cl)c1ccsc1 ZINC000417540657 334961842 /nfs/dbraw/zinc/96/18/42/334961842.db2.gz XKEMKBGIQAIXJC-JTQLQIEISA-N -1 1 301.820 3.769 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCCC[C@H]1c1ncc[nH]1 ZINC000094071852 193343574 /nfs/dbraw/zinc/34/35/74/193343574.db2.gz MPECAVXJCYSTQZ-INIZCTEOSA-N -1 1 321.380 3.636 20 0 DHADMM O=S(=O)([N-]c1ccc(Cl)cc1Cl)c1ccccc1F ZINC000016101630 182034080 /nfs/dbraw/zinc/03/40/80/182034080.db2.gz AVNDQOWMQGGXRX-UHFFFAOYSA-N -1 1 320.172 3.933 20 0 DHADMM Cc1cc(C)c(C(=O)[C@H](C)Sc2ncc(C)c(=O)[n-]2)cc1C ZINC000563820793 335029424 /nfs/dbraw/zinc/02/94/24/335029424.db2.gz BJUASLVDDCINLN-ZDUSSCGKSA-N -1 1 316.426 3.779 20 0 DHADMM Cc1ccc(C[C@H](NCc2cc3ccccc3o2)C(=O)[O-])cc1C ZINC000417647825 335029799 /nfs/dbraw/zinc/02/97/99/335029799.db2.gz GQFTXILJTGAJEH-SFHVURJKSA-N -1 1 323.392 3.835 20 0 DHADMM Cc1csc(-c2nc(=O)c3c4c(sc3[n-]2)C[C@H](C)CC4)n1 ZINC000183639290 335038961 /nfs/dbraw/zinc/03/89/61/335038961.db2.gz WRPZYBATVYBRPD-SSDOTTSWSA-N -1 1 317.439 3.541 20 0 DHADMM CCC(CC)n1nc(C(=O)Nc2ccc(F)cc2[O-])cc1C ZINC000272087258 129996638 /nfs/dbraw/zinc/99/66/38/129996638.db2.gz SEAKDANVBSIMSZ-UHFFFAOYSA-N -1 1 305.353 3.650 20 0 DHADMM CC(=O)c1cc(F)c([N-]C(=O)c2oc(C3CC3)nc2C)c(F)c1 ZINC000273641447 130148742 /nfs/dbraw/zinc/14/87/42/130148742.db2.gz UUYQQMDNVQUKPU-UHFFFAOYSA-N -1 1 320.295 3.594 20 0 DHADMM CCOc1cc(C(=O)N2[C@H](CC)CC[C@@H]2C)cc(Cl)c1[O-] ZINC000273822264 130172183 /nfs/dbraw/zinc/17/21/83/130172183.db2.gz FWZSZXHYBZKXJY-CMPLNLGQSA-N -1 1 311.809 3.847 20 0 DHADMM CC(=O)Nc1ccc([O-])c(-c2nc([C@@H]3CCC[C@H](C)C3)no2)c1 ZINC000273987313 130195556 /nfs/dbraw/zinc/19/55/56/130195556.db2.gz SHMSVFOPWGAOQS-CMPLNLGQSA-N -1 1 315.373 3.694 20 0 DHADMM O=C(c1cncc([O-])c1)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000275338658 130305795 /nfs/dbraw/zinc/30/57/95/130305795.db2.gz WRVBEMLQUJJEHT-QRVBRYPASA-N -1 1 322.408 3.586 20 0 DHADMM Cc1c(=O)[n-]c(SCCOC2CCC2)nc1-c1ccccc1 ZINC000286366609 131233266 /nfs/dbraw/zinc/23/32/66/131233266.db2.gz CLNSUWDDWZXUSY-UHFFFAOYSA-N -1 1 316.426 3.819 20 0 DHADMM C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1c(F)ccc([O-])c1F ZINC000289087375 131357533 /nfs/dbraw/zinc/35/75/33/131357533.db2.gz BFWIWEDDRDCDCM-AAEUAGOBSA-N -1 1 317.335 3.689 20 0 DHADMM O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)c1c(F)ccc([O-])c1F ZINC000289391810 131381618 /nfs/dbraw/zinc/38/16/18/131381618.db2.gz NQVMVLUAMITSTK-TZMCWYRMSA-N -1 1 317.335 3.737 20 0 DHADMM O=c1cc(C(F)F)nc(SCCCCC(F)(F)F)[n-]1 ZINC000289453701 131387129 /nfs/dbraw/zinc/38/71/29/131387129.db2.gz FGTKNBUXAWXTKP-UHFFFAOYSA-N -1 1 302.268 3.945 20 0 DHADMM CO[C@H](CSc1nc(C(F)F)cc(=O)[n-]1)c1ccccc1 ZINC000289567681 131396093 /nfs/dbraw/zinc/39/60/93/131396093.db2.gz QBZCJXHMKSBSFU-LLVKDONJSA-N -1 1 312.341 3.600 20 0 DHADMM CC(C)[C@H]1C[C@@](NCc2cccs2)(C(=O)[O-])c2ccccc21 ZINC000340690889 132157590 /nfs/dbraw/zinc/15/75/90/132157590.db2.gz NBMRBIJTPBZRIG-QAPCUYQASA-N -1 1 315.438 3.961 20 0 DHADMM CC(C)[C@@H]1C[C@](NCc2cccs2)(C(=O)[O-])c2ccccc21 ZINC000340690886 132157601 /nfs/dbraw/zinc/15/76/01/132157601.db2.gz NBMRBIJTPBZRIG-MAUKXSAKSA-N -1 1 315.438 3.961 20 0 DHADMM Cc1ccc(C)c(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)c1 ZINC000417703603 335066235 /nfs/dbraw/zinc/06/62/35/335066235.db2.gz LNGZYWGGVBTHNT-UHFFFAOYSA-N -1 1 310.397 3.564 20 0 DHADMM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000131992139 332062672 /nfs/dbraw/zinc/06/26/72/332062672.db2.gz XYGJAKDEWHHWLX-RQJHMYQMSA-N -1 1 314.259 3.522 20 0 DHADMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cccc(F)c2C)c1 ZINC000174705919 332861064 /nfs/dbraw/zinc/86/10/64/332861064.db2.gz ZEKVECHVOAGOSL-LBPRGKRZSA-N -1 1 323.389 3.642 20 0 DHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2cc(C)c(C)cc2C)o1 ZINC000426776795 332123260 /nfs/dbraw/zinc/12/32/60/332123260.db2.gz ZZQOBHGGGHBUIL-MRXNPFEDSA-N -1 1 301.386 3.819 20 0 DHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2cc(C)c3ncccc3c2)o1 ZINC000426790427 332153958 /nfs/dbraw/zinc/15/39/58/332153958.db2.gz 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/nfs/dbraw/zinc/33/20/69/332332069.db2.gz NAKPNKWQLSZIJI-AWEZNQCLSA-N -1 1 314.385 3.755 20 0 DHADMM Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ncc(C)cc2[O-])o1 ZINC000408225457 332336307 /nfs/dbraw/zinc/33/63/07/332336307.db2.gz UKCXLEKPTQNQGF-SMDDNHRTSA-N -1 1 314.385 3.610 20 0 DHADMM Cc1nc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)sc1C ZINC000427760610 332509101 /nfs/dbraw/zinc/50/91/01/332509101.db2.gz GEWCOIHOLZQYKE-UHFFFAOYSA-N -1 1 321.349 3.567 20 0 DHADMM C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@@H]1C ZINC000180853754 333028715 /nfs/dbraw/zinc/02/87/15/333028715.db2.gz VATDHMIDZXKWBF-ZJUUUORDSA-N -1 1 301.308 3.529 20 0 DHADMM C[C@@H]1CC[C@H](C)N(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000180628978 333029064 /nfs/dbraw/zinc/02/90/64/333029064.db2.gz WCSNLUZLNWSCRD-ZJUUUORDSA-N -1 1 301.308 3.672 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CCC(Cc2ccccc2)CC1 ZINC000181051278 333029500 /nfs/dbraw/zinc/02/95/00/333029500.db2.gz NCMOLRKDRWSLTO-UHFFFAOYSA-N -1 1 313.372 3.626 20 0 DHADMM O=C(Nc1ccccc1OCC1CC1)c1ccc([O-])cc1F ZINC000181995561 333036391 /nfs/dbraw/zinc/03/63/91/333036391.db2.gz GTUOWSQMAAVAEX-UHFFFAOYSA-N -1 1 301.317 3.572 20 0 DHADMM O=C(NCCC[C@@H]1CCCCO1)c1cc2ccccc2cc1[O-] ZINC000183482102 333058506 /nfs/dbraw/zinc/05/85/06/333058506.db2.gz SCOSSLFYKYQRMJ-INIZCTEOSA-N -1 1 313.397 3.625 20 0 DHADMM COC(=O)c1coc(C(=O)[N-]c2ccccc2SC(C)C)c1 ZINC000185176528 333205021 /nfs/dbraw/zinc/20/50/21/333205021.db2.gz QSONHDZTESSTSM-UHFFFAOYSA-N -1 1 319.382 3.819 20 0 DHADMM CCCCC1CCC(C(=O)Nc2n[n-]c(C(F)(F)F)n2)CC1 ZINC000497790290 333291337 /nfs/dbraw/zinc/29/13/37/333291337.db2.gz MRSLVXQZOXONNM-UHFFFAOYSA-N -1 1 318.343 3.759 20 0 DHADMM C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000499719899 333301042 /nfs/dbraw/zinc/30/10/42/333301042.db2.gz PQCNOROHYRALMB-BQBZGAKWSA-N -1 1 314.259 3.522 20 0 DHADMM CC[C@H]1[C@@H](C)CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000187410746 333455049 /nfs/dbraw/zinc/45/50/49/333455049.db2.gz XAPALAPXERHMEL-CABZTGNLSA-N -1 1 301.308 3.672 20 0 DHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc2ccccc2o1 ZINC000339122849 333508530 /nfs/dbraw/zinc/50/85/30/333508530.db2.gz IXJNVRCOCNEPLV-UHFFFAOYSA-N -1 1 319.320 3.781 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1C[C@@]12CCCc1ccccc12 ZINC000531756436 333552443 /nfs/dbraw/zinc/55/24/43/333552443.db2.gz JUVIPLKGEHKZOZ-DNVCBOLYSA-N -1 1 311.356 3.764 20 0 DHADMM O=C(Nc1ccc2nc(C(F)F)sc2c1)c1cncc([O-])c1 ZINC000343429326 335163987 /nfs/dbraw/zinc/16/39/87/335163987.db2.gz DPMKECGKHXNXFF-UHFFFAOYSA-N -1 1 321.308 3.587 20 0 DHADMM CC(C)c1cc(C(=O)Nc2ccc(F)cc2[O-])nn1C(C)(C)C ZINC000436811232 334001208 /nfs/dbraw/zinc/00/12/08/334001208.db2.gz IKOKXKAKELKAAG-UHFFFAOYSA-N -1 1 319.380 3.859 20 0 DHADMM [O-]c1ccc(-c2noc(COc3ccsc3)n2)c(Cl)c1 ZINC000436869592 334012952 /nfs/dbraw/zinc/01/29/52/334012952.db2.gz MQQXAZOSICLZLU-UHFFFAOYSA-N -1 1 308.746 3.736 20 0 DHADMM O=C(N[C@@H]1CCc2sc(Cl)cc21)c1ccc([O-])cc1F ZINC000436928906 334017258 /nfs/dbraw/zinc/01/72/58/334017258.db2.gz SIAMKLRMOBMEJI-LLVKDONJSA-N -1 1 311.765 3.664 20 0 DHADMM CC(=O)Nc1ccc([O-])c(-c2nc([C@@H](C)C(C)(C)C)no2)c1 ZINC000436934240 334017822 /nfs/dbraw/zinc/01/78/22/334017822.db2.gz WHXJJCSIFGUPLG-SECBINFHSA-N -1 1 303.362 3.550 20 0 DHADMM C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1(C)C ZINC000436957392 334021114 /nfs/dbraw/zinc/02/11/14/334021114.db2.gz XKIHRHZHBUUMFZ-SNVBAGLBSA-N -1 1 315.335 3.919 20 0 DHADMM Cc1ccc(CNCc2cccc(C(=O)[O-])c2)c(OC(C)C)c1 ZINC000414638313 334049814 /nfs/dbraw/zinc/04/98/14/334049814.db2.gz NVUAXIVHPSNMLC-UHFFFAOYSA-N -1 1 313.397 3.770 20 0 DHADMM CCCN(CC(=O)[O-])Cc1ccc(-c2ccc(CC)cc2)o1 ZINC000414686130 334069034 /nfs/dbraw/zinc/06/90/34/334069034.db2.gz UTJVYBFLFPWUJP-UHFFFAOYSA-N -1 1 301.386 3.806 20 0 DHADMM O=C(Nc1cccc(Oc2ccncc2)c1)c1ccc(O)cc1[O-] ZINC000112182925 334368461 /nfs/dbraw/zinc/36/84/61/334368461.db2.gz BOICUIFRDFRFLK-UHFFFAOYSA-N -1 1 322.320 3.537 20 0 DHADMM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(F)cc1[O-] ZINC000532012759 334373832 /nfs/dbraw/zinc/37/38/32/334373832.db2.gz CIIHPNKHFPEIIT-SNVBAGLBSA-N -1 1 323.751 3.899 20 0 DHADMM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc2ncccc2c1 ZINC000353653199 334391949 /nfs/dbraw/zinc/39/19/49/334391949.db2.gz ALBGKEIHGGORNC-UHFFFAOYSA-N -1 1 318.785 3.689 20 0 DHADMM COc1cc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc(Cl)c1[O-] ZINC000443288297 338448442 /nfs/dbraw/zinc/44/84/42/338448442.db2.gz LNKRAEZQTPMVMQ-GMXVVIOVSA-N -1 1 323.820 3.753 20 0 DHADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(C)c(O)c1C ZINC000188373495 334691273 /nfs/dbraw/zinc/69/12/73/334691273.db2.gz XLVQLIULOJZCOD-UHFFFAOYSA-N -1 1 323.439 3.532 20 0 DHADMM CCC(C)(C)[C@@H](NCc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC000583500422 335624242 /nfs/dbraw/zinc/62/42/42/335624242.db2.gz WBTDNCWQFQTVSP-INIZCTEOSA-N -1 1 301.386 3.926 20 0 DHADMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000535892984 335798749 /nfs/dbraw/zinc/79/87/49/335798749.db2.gz OSSDWNIHLIWWBC-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM CCCCOc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000532266745 335927480 /nfs/dbraw/zinc/92/74/80/335927480.db2.gz XVOCHVWMNBNINB-UHFFFAOYSA-N -1 1 303.333 3.963 20 0 DHADMM COc1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1O ZINC000194366418 338516394 /nfs/dbraw/zinc/51/63/94/338516394.db2.gz PZAVEKZOSXEDMA-UHFFFAOYSA-N -1 1 309.321 3.512 20 0 DHADMM O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1c[nH]c2ccccc2c1=O ZINC000332794400 336184948 /nfs/dbraw/zinc/18/49/48/336184948.db2.gz HNTXWHWRJZDIRD-RRFJBIMHSA-N -1 1 324.424 3.617 20 0 DHADMM CC(C)c1nnc([N-]C(=O)c2ccoc2C(F)(F)F)s1 ZINC000352303061 336211113 /nfs/dbraw/zinc/21/11/13/336211113.db2.gz CYWDEFJPBOQHFK-UHFFFAOYSA-N -1 1 305.281 3.526 20 0 DHADMM CCOc1cc(-c2nc(CCC3CC3)no2)cc(Cl)c1[O-] ZINC000526949393 336275791 /nfs/dbraw/zinc/27/57/91/336275791.db2.gz BWEQISITHGCOOI-UHFFFAOYSA-N -1 1 308.765 3.837 20 0 DHADMM Cc1cccc(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)c1 ZINC000301389403 336304060 /nfs/dbraw/zinc/30/40/60/336304060.db2.gz ZICQADAWHNVDLI-UHFFFAOYSA-N -1 1 320.396 3.782 20 0 DHADMM CCC(CC)CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301431669 336306365 /nfs/dbraw/zinc/30/63/65/336306365.db2.gz VTLZDNBOFUXHQG-UHFFFAOYSA-N -1 1 300.406 3.709 20 0 DHADMM OCC[C@H]([N-]c1nc(-c2cccc(Cl)c2)no1)c1ccco1 ZINC000302218377 336354623 /nfs/dbraw/zinc/35/46/23/336354623.db2.gz KUBYYSAPWOIFAE-LBPRGKRZSA-N -1 1 319.748 3.519 20 0 DHADMM Cc1nc(-c2ccc(NCC(C)(C)C(C)C)nc2)[n-]c(=O)c1C ZINC000302497207 336360133 /nfs/dbraw/zinc/36/01/33/336360133.db2.gz NBBNRCMZLQZJFM-UHFFFAOYSA-N -1 1 314.433 3.955 20 0 DHADMM CCC[C@H](C)CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000363201239 336820286 /nfs/dbraw/zinc/82/02/86/336820286.db2.gz YFDGTORODASYPS-AWEZNQCLSA-N -1 1 317.429 3.640 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@H](c2ccco2)C1 ZINC000369236874 336860943 /nfs/dbraw/zinc/86/09/43/336860943.db2.gz PDGFYEHQOOAWCH-HNNXBMFYSA-N -1 1 307.349 3.768 20 0 DHADMM COC(=O)c1c[n-]c(SCc2cc(Cl)ccc2Cl)n1 ZINC000193539799 337077887 /nfs/dbraw/zinc/07/78/87/337077887.db2.gz JWMPWIGOLABEHA-UHFFFAOYSA-N -1 1 317.197 3.795 20 0 DHADMM COC(=O)c1c[n-]c(S[C@H](C)c2cccc(Cl)c2F)n1 ZINC000193553393 337078382 /nfs/dbraw/zinc/07/83/82/337078382.db2.gz OWJFMMQWJCCKFW-SSDOTTSWSA-N -1 1 314.769 3.842 20 0 DHADMM COCc1ccc([C@@H]2CCCN2Cc2ccc(C(=O)[O-])s2)o1 ZINC000582551980 337104412 /nfs/dbraw/zinc/10/44/12/337104412.db2.gz TUXOUPSZLDFVPN-ZDUSSCGKSA-N -1 1 321.398 3.523 20 0 DHADMM O=C(Nc1ccc2ncccc2c1)c1cn[nH]c1-c1ccccc1 ZINC000173534818 337136241 /nfs/dbraw/zinc/13/62/41/337136241.db2.gz HAILSMKJBSKWPV-UHFFFAOYSA-N -1 1 314.348 3.877 20 0 DHADMM Cc1ncccc1NC(=O)c1cn[nH]c1-c1ccc(Cl)cc1 ZINC000175192853 337146031 /nfs/dbraw/zinc/14/60/31/337146031.db2.gz PASWBYUDYQAFTB-UHFFFAOYSA-N -1 1 312.760 3.686 20 0 DHADMM CC[C@H]1CC[C@H](C)N1C(=O)c1ccc(Br)c([O-])c1 ZINC000221918031 337174108 /nfs/dbraw/zinc/17/41/08/337174108.db2.gz DGXMFNLFZMAACX-ONGXEEELSA-N -1 1 312.207 3.558 20 0 DHADMM Cc1cc(Cl)c(C(=O)Nc2nc(-c3ccco3)n[nH]2)cc1C ZINC000181926094 337185330 /nfs/dbraw/zinc/18/53/30/337185330.db2.gz DUKFFBOWSUMRFF-UHFFFAOYSA-N -1 1 316.748 3.587 20 0 DHADMM CCO[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000182877585 337190634 /nfs/dbraw/zinc/19/06/34/337190634.db2.gz OUUHFZCLFPDASE-HNNXBMFYSA-N -1 1 305.761 3.762 20 0 DHADMM CC[C@H]([NH2+]Cc1cccc(O)c1Br)c1ccncc1 ZINC000459427049 337191041 /nfs/dbraw/zinc/19/10/41/337191041.db2.gz JKTKUAMZLPOIGL-ZDUSSCGKSA-N -1 1 321.218 3.791 20 0 DHADMM COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1csc(C(=O)[O-])c1 ZINC000583147346 337246051 /nfs/dbraw/zinc/24/60/51/337246051.db2.gz MTUBXCDJLVTPGP-GFCCVEGCSA-N -1 1 319.426 3.518 20 0 DHADMM CCc1csc([C@@H]2CCCN(Cc3cc(O)cc(F)c3)C2)n1 ZINC000186206212 337254734 /nfs/dbraw/zinc/25/47/34/337254734.db2.gz GVMBYMNPNFGULK-CYBMUJFWSA-N -1 1 320.433 3.930 20 0 DHADMM CCOc1cc(C(=O)N2[C@H](C)CCC[C@@H]2C)cc(Cl)c1[O-] ZINC000186780554 337259409 /nfs/dbraw/zinc/25/94/09/337259409.db2.gz GANFNLALCZJRSG-PHIMTYICSA-N -1 1 311.809 3.847 20 0 DHADMM [O-]c1ccc(-c2noc(CSc3ccc(O)cc3)n2)cc1F ZINC000445477052 337666926 /nfs/dbraw/zinc/66/69/26/337666926.db2.gz AIVKOTPQDCELHD-UHFFFAOYSA-N -1 1 318.329 3.579 20 0 DHADMM CC1(C)CN(C(=O)c2cc(F)ccc2[O-])C[C@H]1c1ccccc1 ZINC000119370058 337858491 /nfs/dbraw/zinc/85/84/91/337858491.db2.gz ASRKUXYZNGPUKP-INIZCTEOSA-N -1 1 313.372 3.797 20 0 DHADMM [O-]c1ccc(-c2noc(CCOc3ccccc3)n2)c(Cl)c1 ZINC000445449546 337945499 /nfs/dbraw/zinc/94/54/99/337945499.db2.gz VHZDSHCQHBFUFA-UHFFFAOYSA-N -1 1 316.744 3.717 20 0 DHADMM C[C@H]1C[C@H]1c1ccc(CNC(=O)c2cc(Cl)ccc2[O-])o1 ZINC000515967467 338001702 /nfs/dbraw/zinc/00/17/02/338001702.db2.gz ZNYGPXVXYKTCJC-JOYOIKCWSA-N -1 1 305.761 3.692 20 0 DHADMM COc1ccccc1/C=C\c1nc(-c2ccc([O-])cc2F)no1 ZINC000445453717 338017090 /nfs/dbraw/zinc/01/70/90/338017090.db2.gz JGZMAPRILKZRDK-TWGQIWQCSA-N -1 1 312.300 3.760 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cc4cc(F)ccc4[nH]3)n2)c(F)c1 ZINC000445455944 338017425 /nfs/dbraw/zinc/01/74/25/338017425.db2.gz HAMGIAAFCAOJLE-UHFFFAOYSA-N -1 1 313.263 3.869 20 0 DHADMM COc1ccc(/C=C\c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445455829 338017428 /nfs/dbraw/zinc/01/74/28/338017428.db2.gz QUQWZXCIAFAYCJ-WTKPLQERSA-N -1 1 312.300 3.760 20 0 DHADMM [O-]c1ccc(-c2noc(CCc3ccc(F)cc3)n2)c(F)c1 ZINC000445456417 338017456 /nfs/dbraw/zinc/01/74/56/338017456.db2.gz IXBTVMNTUKNVPH-UHFFFAOYSA-N -1 1 302.280 3.506 20 0 DHADMM [O-]c1ccc(-c2noc(C/C=C/c3ccccc3F)n2)c(F)c1 ZINC000445459299 338018378 /nfs/dbraw/zinc/01/83/78/338018378.db2.gz ZMAOPVPZPZFWPI-HWKANZROSA-N -1 1 314.291 3.976 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cc(-c4ccccc4)on3)n2)c(F)c1 ZINC000445460515 338020522 /nfs/dbraw/zinc/02/05/22/338020522.db2.gz BANXSBXVPCPSBI-UHFFFAOYSA-N -1 1 323.283 3.903 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3cccc(Cl)c3)n2)c(F)c1 ZINC000445460850 338020871 /nfs/dbraw/zinc/02/08/71/338020871.db2.gz DEACSVAORPPBCD-UHFFFAOYSA-N -1 1 304.708 3.826 20 0 DHADMM O=C([O-])Cc1ccccc1CNCc1ccc(-c2ccccc2)o1 ZINC000426692855 338038416 /nfs/dbraw/zinc/03/84/16/338038416.db2.gz VXHUKWCYOGUAPO-UHFFFAOYSA-N -1 1 321.376 3.864 20 0 DHADMM CCc1ccc(-c2ccc(CN[C@H](C(=O)[O-])C(C)C)o2)cc1 ZINC000426707777 338038741 /nfs/dbraw/zinc/03/87/41/338038741.db2.gz CTAYQVYVGYACFB-KRWDZBQOSA-N -1 1 301.386 3.708 20 0 DHADMM O=C([O-])[C@@H](NCc1ccccc1F)c1ccc(Cl)c(F)c1 ZINC000426759751 338041118 /nfs/dbraw/zinc/04/11/18/338041118.db2.gz OJTIFUISLFMQRT-AWEZNQCLSA-N -1 1 311.715 3.534 20 0 DHADMM O=C([O-])[C@H](NCc1ccccc1F)c1ccc(Cl)c(F)c1 ZINC000426759752 338041145 /nfs/dbraw/zinc/04/11/45/338041145.db2.gz OJTIFUISLFMQRT-CQSZACIVSA-N -1 1 311.715 3.534 20 0 DHADMM CCCc1cc(=O)[n-]c(SCc2cc(C(C)(C)C)on2)n1 ZINC000430099173 338096495 /nfs/dbraw/zinc/09/64/95/338096495.db2.gz XLJLKUYLQMRPCW-UHFFFAOYSA-N -1 1 307.419 3.713 20 0 DHADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(C)nc2)cc1 ZINC000431338626 338128519 /nfs/dbraw/zinc/12/85/19/338128519.db2.gz PIGXDHKLYCHZQF-GFCCVEGCSA-N -1 1 304.415 3.704 20 0 DHADMM COc1ccc2c(c1)[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)CC2 ZINC000431898944 338141359 /nfs/dbraw/zinc/14/13/59/338141359.db2.gz ALWKAUNVHJIXCG-CYBMUJFWSA-N -1 1 317.772 3.723 20 0 DHADMM CC(C)c1nc(=NCC[C@@H](c2ccccc2)C(F)(F)F)o[n-]1 ZINC000432136589 338146823 /nfs/dbraw/zinc/14/68/23/338146823.db2.gz BFAULNIIOFTHFQ-LBPRGKRZSA-N -1 1 313.323 3.763 20 0 DHADMM O=C(NC1CCC2(CC2)CC1)c1ccc(Br)c([O-])c1 ZINC000434294672 338214214 /nfs/dbraw/zinc/21/42/14/338214214.db2.gz JBRPAIRXXLHLMT-UHFFFAOYSA-N -1 1 324.218 3.607 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)cc1F ZINC000436182818 338260962 /nfs/dbraw/zinc/26/09/62/338260962.db2.gz UXVWFVMJDMZYDW-UHFFFAOYSA-N -1 1 318.373 3.725 20 0 DHADMM CCc1cc(=O)[n-]c(S[C@H](CCOC)c2ccccc2)n1 ZINC000436197584 338261568 /nfs/dbraw/zinc/26/15/68/338261568.db2.gz MPGHBWIEPLJIRZ-CQSZACIVSA-N -1 1 304.415 3.615 20 0 DHADMM COCC[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)c1ccccc1 ZINC000436263924 338264280 /nfs/dbraw/zinc/26/42/80/338264280.db2.gz UARZBTKEFUIXFQ-OAHLLOKOSA-N -1 1 316.426 3.930 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H](c2ccccc2F)C1 ZINC000436488771 338274025 /nfs/dbraw/zinc/27/40/25/338274025.db2.gz MWJDEEAATWIWMT-NSHDSACASA-N -1 1 319.763 3.814 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCCC[C@@H]1C(F)F ZINC000436518067 338274869 /nfs/dbraw/zinc/27/48/69/338274869.db2.gz QBKJFZGUMUXCJJ-CQSZACIVSA-N -1 1 305.324 3.805 20 0 DHADMM CO[C@H]1CCC[C@@H](c2nc(-c3ccc([O-])cc3Cl)no2)C1 ZINC000436520883 338274989 /nfs/dbraw/zinc/27/49/89/338274989.db2.gz JROJNMSWDMLQMP-KOLCDFICSA-N -1 1 308.765 3.768 20 0 DHADMM COc1ccc(C(=O)Nc2ccccc2OC(C)(C)C)c([O-])c1 ZINC000436547482 338276423 /nfs/dbraw/zinc/27/64/23/338276423.db2.gz QHNHDMURHCLXLD-UHFFFAOYSA-N -1 1 315.369 3.830 20 0 DHADMM CCC[C@H]1SCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436547042 338276467 /nfs/dbraw/zinc/27/64/67/338276467.db2.gz ITWMTNVNFIDTDG-OAHLLOKOSA-N -1 1 301.411 3.861 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000436552132 338276604 /nfs/dbraw/zinc/27/66/04/338276604.db2.gz BPZQNOMHYIYZTO-LBPRGKRZSA-N -1 1 319.763 3.814 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1Cc2ccccc2C2(CC2)C1 ZINC000436564102 338277220 /nfs/dbraw/zinc/27/72/20/338277220.db2.gz JHAFPSCNXDYUKQ-UHFFFAOYSA-N -1 1 313.784 3.733 20 0 DHADMM O=C(Nc1ccc(CC(F)(F)F)cc1)c1cc(F)ccc1[O-] ZINC000436583907 338278367 /nfs/dbraw/zinc/27/83/67/338278367.db2.gz LEMPXZSGRYPXMH-UHFFFAOYSA-N -1 1 313.250 3.888 20 0 DHADMM O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1ccc2ccccc2c1[O-] ZINC000436597154 338279369 /nfs/dbraw/zinc/27/93/69/338279369.db2.gz PCVOSYOWEFGYED-IPMKNSEASA-N -1 1 315.372 3.614 20 0 DHADMM CCc1c(NC(=O)c2ccccc2[O-])cnn1-c1ccccc1C ZINC000436597520 338279387 /nfs/dbraw/zinc/27/93/87/338279387.db2.gz VOLNFAUJZZJUHV-UHFFFAOYSA-N -1 1 321.380 3.701 20 0 DHADMM CCCCOc1cccc(NC(=O)c2ccc(O)cc2[O-])c1 ZINC000436603443 338279486 /nfs/dbraw/zinc/27/94/86/338279486.db2.gz GRUINPHFSDNZJU-UHFFFAOYSA-N -1 1 301.342 3.529 20 0 DHADMM CCC(=O)c1ccc([O-])c(NC(=O)c2cc(Cl)ccc2O)c1 ZINC000436654349 338281664 /nfs/dbraw/zinc/28/16/64/338281664.db2.gz XBJIPVOBPTXUFD-UHFFFAOYSA-N -1 1 319.744 3.596 20 0 DHADMM [O-]c1ccc(-c2nc(-c3cncc4ccccc43)no2)c(F)c1 ZINC000436692436 338283131 /nfs/dbraw/zinc/28/31/31/338283131.db2.gz YCQOIBRCHABVNZ-UHFFFAOYSA-N -1 1 307.284 3.797 20 0 DHADMM CC(C)(C)c1csc(CNC(=O)c2ccc(Cl)cc2[O-])n1 ZINC000436717075 338283899 /nfs/dbraw/zinc/28/38/99/338283899.db2.gz DDQDIUTXTDTKGQ-UHFFFAOYSA-N -1 1 324.833 3.730 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N(Cc1ccc(F)cc1)C1CC1 ZINC000436720953 338284171 /nfs/dbraw/zinc/28/41/71/338284171.db2.gz GNKYIAYKYWUWMD-UHFFFAOYSA-N -1 1 319.763 3.990 20 0 DHADMM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1ccc([O-])cc1F ZINC000436749053 338285148 /nfs/dbraw/zinc/28/51/48/338285148.db2.gz RRHVZTDEONPEAB-KRWDZBQOSA-N -1 1 317.360 3.763 20 0 DHADMM COc1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])c(OC)c1 ZINC000436746234 338285154 /nfs/dbraw/zinc/28/51/54/338285154.db2.gz DMFUQKGXDDCHCI-UHFFFAOYSA-N -1 1 315.369 3.785 20 0 DHADMM CCCN(Cc1ccc(F)cc1)C(=O)c1cc(F)ccc1[O-] ZINC000436755800 338285721 /nfs/dbraw/zinc/28/57/21/338285721.db2.gz OFAZUYAQWQGKAY-UHFFFAOYSA-N -1 1 305.324 3.723 20 0 DHADMM COCc1ccccc1CNC(=O)c1ccc2ccccc2c1[O-] ZINC000436762633 338286140 /nfs/dbraw/zinc/28/61/40/338286140.db2.gz SHXZACFXWHMMGL-UHFFFAOYSA-N -1 1 321.376 3.622 20 0 DHADMM O=C(NCCCNc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000436779507 338287214 /nfs/dbraw/zinc/28/72/14/338287214.db2.gz XMWZZWCUAPPUCH-UHFFFAOYSA-N -1 1 320.392 3.777 20 0 DHADMM CCCn1ccc2cc(NC(=O)c3ccc(O)cc3[O-])ccc21 ZINC000436789632 338287498 /nfs/dbraw/zinc/28/74/98/338287498.db2.gz FMJRLLDIFHQSHZ-UHFFFAOYSA-N -1 1 310.353 3.715 20 0 DHADMM O=C(Nc1ccc(Oc2ccccc2)nc1)c1ccc(O)cc1[O-] ZINC000436839122 338289441 /nfs/dbraw/zinc/28/94/41/338289441.db2.gz OQJOPLPKNXXETC-UHFFFAOYSA-N -1 1 322.320 3.537 20 0 DHADMM Cc1cccc2c1CN(C(=O)c1ccc(Cl)cc1[O-])CC2 ZINC000436852312 338289947 /nfs/dbraw/zinc/28/99/47/338289947.db2.gz PAEVCNWRJSSGLW-UHFFFAOYSA-N -1 1 301.773 3.553 20 0 DHADMM CCc1cncc(-c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000436875918 338291067 /nfs/dbraw/zinc/29/10/67/338291067.db2.gz YZPBHHRBNOJRER-UHFFFAOYSA-N -1 1 301.733 3.720 20 0 DHADMM CN(C)c1cccc(CNC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000436900075 338292726 /nfs/dbraw/zinc/29/27/26/338292726.db2.gz GKKJHMIVWJMAND-UHFFFAOYSA-N -1 1 320.392 3.541 20 0 DHADMM Cc1cc2sc(NC(=O)c3ccc([O-])cc3F)nc2cc1F ZINC000436918033 338293400 /nfs/dbraw/zinc/29/34/00/338293400.db2.gz ZWUJSBZMWNMHJU-UHFFFAOYSA-N -1 1 320.320 3.841 20 0 DHADMM CC(C)c1ccc2c(c1)[C@H](NC(=O)C(=O)c1ccc([O-])cc1)CC2 ZINC000436929691 338294097 /nfs/dbraw/zinc/29/40/97/338294097.db2.gz DCBCKXMCRLPTEX-GOSISDBHSA-N -1 1 323.392 3.502 20 0 DHADMM O=C(NCc1cc2ccccc2s1)c1ccc([O-])cc1F ZINC000436942454 338295024 /nfs/dbraw/zinc/29/50/24/338295024.db2.gz IFBUMYYAWHOAGN-UHFFFAOYSA-N -1 1 301.342 3.676 20 0 DHADMM CC(F)(F)c1ccc(CNC(=O)c2ccc([O-])cc2F)cc1 ZINC000436944946 338295103 /nfs/dbraw/zinc/29/51/03/338295103.db2.gz DBZPMLAGWZGJOK-UHFFFAOYSA-N -1 1 309.287 3.573 20 0 DHADMM O=C(NCCCCc1ccc(F)c(F)c1)c1ccc([O-])cc1F ZINC000436951202 338295529 /nfs/dbraw/zinc/29/55/29/338295529.db2.gz FFONJQBCLJYRPJ-UHFFFAOYSA-N -1 1 323.314 3.562 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1O ZINC000438772651 338352114 /nfs/dbraw/zinc/35/21/14/338352114.db2.gz AMCRJNONCYCBJX-UHFFFAOYSA-N -1 1 305.399 3.625 20 0 DHADMM Cc1cc2cc([N-]S(=O)(=O)c3cccc(F)c3C)ccc2[nH]1 ZINC000438801126 338352264 /nfs/dbraw/zinc/35/22/64/338352264.db2.gz PZGNJFSZMUXQPD-UHFFFAOYSA-N -1 1 318.373 3.725 20 0 DHADMM CC(C)Cn1cc(NC(=O)c2ccc(C(C)C)cc2[O-])cn1 ZINC000440341953 338385920 /nfs/dbraw/zinc/38/59/20/338385920.db2.gz NJYPSCLMWJWYKE-UHFFFAOYSA-N -1 1 301.390 3.620 20 0 DHADMM [O-]c1cccc(CN2CCOC[C@@H]2c2ccc(F)cc2)c1Cl ZINC000449585548 338639895 /nfs/dbraw/zinc/63/98/95/338639895.db2.gz FHKZLFYLZBSPJA-OAHLLOKOSA-N -1 1 321.779 3.758 20 0 DHADMM CCc1nc(C)c([N-]S(=O)(=O)Cc2c(C)cccc2C)s1 ZINC000451019907 338717729 /nfs/dbraw/zinc/71/77/29/338717729.db2.gz XYZBCIFPFGQKFL-UHFFFAOYSA-N -1 1 324.471 3.573 20 0 DHADMM O=S(=O)([N-]CCCCF)c1sc2ccccc2c1Cl ZINC000451564281 338739380 /nfs/dbraw/zinc/73/93/80/338739380.db2.gz IMFWSQKPFKEBGN-UHFFFAOYSA-N -1 1 321.826 3.583 20 0 DHADMM COc1ccc2c(c1)CCN2C(=O)c1ccc2ccccc2c1[O-] ZINC000194832122 338764503 /nfs/dbraw/zinc/76/45/03/338764503.db2.gz WDAAEXTUXWZLGS-UHFFFAOYSA-N -1 1 319.360 3.757 20 0 DHADMM O=C(NC[C@H]1CCC[C@@H]1c1ccccc1)c1ccc([O-])cc1F ZINC000452410133 338765833 /nfs/dbraw/zinc/76/58/33/338765833.db2.gz REQISRYTDVLHIB-GDBMZVCRSA-N -1 1 313.372 3.845 20 0 DHADMM COc1cc(C(=O)N[C@@H](C)CCC=C(C)C)cc(Cl)c1[O-] ZINC000456059483 338918353 /nfs/dbraw/zinc/91/83/53/338918353.db2.gz KXNDXDIXQBEICA-NSHDSACASA-N -1 1 311.809 3.919 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000456268716 338923666 /nfs/dbraw/zinc/92/36/66/338923666.db2.gz DZKYUKGPPISINN-PKOBYXMFSA-N -1 1 307.393 3.806 20 0 DHADMM Cc1nc(C(C)C)ccc1C(=O)Nc1ccc([O-])c(F)c1F ZINC000456774384 338939965 /nfs/dbraw/zinc/93/99/65/338939965.db2.gz CBKMYLVXYCDRIS-UHFFFAOYSA-N -1 1 306.312 3.750 20 0 DHADMM CCCc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C)cc1 ZINC000467080949 339225909 /nfs/dbraw/zinc/22/59/09/339225909.db2.gz JFSYCAVCLDWHAA-UHFFFAOYSA-N -1 1 307.390 3.887 20 0 DHADMM C[C@@H]1C[C@@H]1[C@@H](NC(=O)c1cncc([O-])c1)c1ccc(Cl)cc1 ZINC000469716484 339296305 /nfs/dbraw/zinc/29/63/05/339296305.db2.gz SYNJAIOFJYERGW-VFVAKGGASA-N -1 1 316.788 3.568 20 0 DHADMM O=S(=O)([N-][C@@H]1CC=CCC1)c1ccc(Cl)c(F)c1Cl ZINC000473861266 339393556 /nfs/dbraw/zinc/39/35/56/339393556.db2.gz VYPFPIYAONPEAF-MRVPVSSYSA-N -1 1 324.204 3.520 20 0 DHADMM CN(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-])C(C)(C)C ZINC000496609440 340008873 /nfs/dbraw/zinc/00/88/73/340008873.db2.gz PTJVZFRYJCNVGG-UHFFFAOYSA-N -1 1 322.405 3.610 20 0 DHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)c1 ZINC000499502151 340038066 /nfs/dbraw/zinc/03/80/66/340038066.db2.gz JLLNXYXXYCMLKM-UHFFFAOYSA-N -1 1 305.374 3.812 20 0 DHADMM COc1cc(C(=O)NC2CC(C(C)(C)C)C2)cc(Cl)c1[O-] ZINC000504808349 340152805 /nfs/dbraw/zinc/15/28/05/340152805.db2.gz AVCWUHXQCMXTJP-UHFFFAOYSA-N -1 1 311.809 3.609 20 0 DHADMM CCSc1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000505322962 340166269 /nfs/dbraw/zinc/16/62/69/340166269.db2.gz NJDQUYVFHXKZDP-UHFFFAOYSA-N -1 1 311.403 3.739 20 0 DHADMM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccccc1 ZINC000509099270 340261313 /nfs/dbraw/zinc/26/13/13/340261313.db2.gz NCTKKUXZNAOXDV-UHFFFAOYSA-N -1 1 315.316 3.815 20 0 DHADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000509103748 340261387 /nfs/dbraw/zinc/26/13/87/340261387.db2.gz RGTQZTNZWFSTIJ-UHFFFAOYSA-N -1 1 313.831 3.863 20 0 DHADMM CC(C)Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)cc(=O)[nH]1 ZINC000509164716 340262794 /nfs/dbraw/zinc/26/27/94/340262794.db2.gz GVZWZOGUIQTUSG-UHFFFAOYSA-N -1 1 320.776 3.597 20 0 DHADMM CO[C@](C)(C(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000509185462 340263378 /nfs/dbraw/zinc/26/33/78/340263378.db2.gz OKEXGYDGEKVUBU-INIZCTEOSA-N -1 1 305.761 3.546 20 0 DHADMM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000511728736 340336423 /nfs/dbraw/zinc/33/64/23/340336423.db2.gz IDLWWGZQPALWTL-AWEZNQCLSA-N -1 1 319.426 3.973 20 0 DHADMM C[C@@H]1COc2ccccc2CN1Cc1cccc([O-])c1Cl ZINC000512359212 340358767 /nfs/dbraw/zinc/35/87/67/340358767.db2.gz CNCKAMWJCGHIPO-GFCCVEGCSA-N -1 1 303.789 3.829 20 0 DHADMM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cncc([O-])c2)o1 ZINC000173222944 340360640 /nfs/dbraw/zinc/36/06/40/340360640.db2.gz GYZWCLUQGGBGFV-MLGOLLRUSA-N -1 1 314.385 3.556 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1C[C@]12CCc1ccccc12 ZINC000173380004 340363754 /nfs/dbraw/zinc/36/37/54/340363754.db2.gz JATTTWGFLQVDEK-KDOFPFPSSA-N -1 1 313.784 3.888 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1C[C@@]12CCc1ccccc12 ZINC000173379991 340363807 /nfs/dbraw/zinc/36/38/07/340363807.db2.gz JATTTWGFLQVDEK-RDTXWAMCSA-N -1 1 313.784 3.888 20 0 DHADMM C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000305813660 340389578 /nfs/dbraw/zinc/38/95/78/340389578.db2.gz KXIBTXBVKZPUPA-APPDUMDISA-N -1 1 319.788 3.539 20 0 DHADMM COc1ccc2c(c1)CC[N@H+](Cc1cccc([O-])c1Cl)CC2 ZINC000513040591 340390330 /nfs/dbraw/zinc/39/03/30/340390330.db2.gz JOPKAWOSYCFZDY-UHFFFAOYSA-N -1 1 317.816 3.655 20 0 DHADMM CC[C@@H](CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C(C)C ZINC000517083914 340463505 /nfs/dbraw/zinc/46/35/05/340463505.db2.gz CAKAUEBUWHWSQH-LBPRGKRZSA-N -1 1 301.390 3.793 20 0 DHADMM CCNC(=O)c1ccc(C)c(NCc2cccc([O-])c2Cl)c1 ZINC000328273886 340768750 /nfs/dbraw/zinc/76/87/50/340768750.db2.gz XOBUKEFLONYQBJ-UHFFFAOYSA-N -1 1 318.804 3.716 20 0 DHADMM Cc1c(=O)[n-]c(SC[C@H]2CCCOC2)nc1-c1ccccc1 ZINC000546641212 341176847 /nfs/dbraw/zinc/17/68/47/341176847.db2.gz XRNYBEYRTOUTSJ-ZDUSSCGKSA-N -1 1 316.426 3.676 20 0 DHADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000135389043 341238277 /nfs/dbraw/zinc/23/82/77/341238277.db2.gz WHEVJRHIVHGQBY-UHFFFAOYSA-N -1 1 321.373 3.528 20 0 DHADMM C[C@@H](c1ccco1)N(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000135526305 341241453 /nfs/dbraw/zinc/24/14/53/341241453.db2.gz GNIPUKNHZSQYOA-VIFPVBQESA-N -1 1 324.174 3.581 20 0 DHADMM Cc1cnc(C(=O)N2CCCCC[C@@H]2c2ccccc2)c([O-])c1 ZINC000548627662 341267801 /nfs/dbraw/zinc/26/78/01/341267801.db2.gz MFDIAWUTSDOGQA-MRXNPFEDSA-N -1 1 310.397 3.853 20 0 DHADMM Cc1ccc(C[C@@H](C)NC(=O)c2ccc(Cl)cc2[O-])s1 ZINC000080247398 341271383 /nfs/dbraw/zinc/27/13/83/341271383.db2.gz GRZSTPROEUURDE-SECBINFHSA-N -1 1 309.818 3.777 20 0 DHADMM Cc1ccc(C(=O)[O-])cc1NCc1cnc(-c2ccccc2)[nH]1 ZINC000551421240 341341195 /nfs/dbraw/zinc/34/11/95/341341195.db2.gz ZRSQDKMPNWOSOL-UHFFFAOYSA-N -1 1 307.353 3.695 20 0 DHADMM Cc1cnc(S[C@@H](C)c2ccc(OC(F)F)cc2)[n-]c1=O ZINC000565667596 341534535 /nfs/dbraw/zinc/53/45/35/341534535.db2.gz NDQHUZOVZPCRHE-VIFPVBQESA-N -1 1 312.341 3.945 20 0 DHADMM COc1cc(C(=O)N(C)c2cc(C)cc(C)c2)cc(Cl)c1[O-] ZINC000153629903 341575941 /nfs/dbraw/zinc/57/59/41/341575941.db2.gz IUKYWRHKCUYELR-UHFFFAOYSA-N -1 1 319.788 3.948 20 0 DHADMM CCc1ccc(O)c(NC(=O)c2cc(Cl)c([O-])c(OC)c2)c1 ZINC000154028993 341583332 /nfs/dbraw/zinc/58/33/32/341583332.db2.gz IGTZRAHIBNDKEU-UHFFFAOYSA-N -1 1 321.760 3.575 20 0 DHADMM O=C(COC/C=C/c1ccccc1)Nc1ccc([O-])c(Cl)c1 ZINC000156723869 341625590 /nfs/dbraw/zinc/62/55/90/341625590.db2.gz ILKJLPWXQSTLIL-QPJJXVBHSA-N -1 1 317.772 3.714 20 0 DHADMM CC(C)CC1(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CCC1 ZINC000573924678 341743345 /nfs/dbraw/zinc/74/33/45/341743345.db2.gz WVTROIUJHLDQCV-UHFFFAOYSA-N -1 1 313.401 3.937 20 0 DHADMM CC(=O)Nc1cccc(NCc2cccc([O-])c2Cl)c1C ZINC000339189390 519745010 /nfs/dbraw/zinc/74/50/10/519745010.db2.gz OGNZALDBAVEICM-UHFFFAOYSA-N -1 1 304.777 3.925 20 0 DHADMM CC(C)c1nc2ccc(NC(=O)c3cncc([O-])c3)cc2s1 ZINC000111583442 519869350 /nfs/dbraw/zinc/86/93/50/519869350.db2.gz TURMFMVLHGLDQP-UHFFFAOYSA-N -1 1 313.382 3.773 20 0 DHADMM CC1(C)CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC000338385210 520372899 /nfs/dbraw/zinc/37/28/99/520372899.db2.gz LAGNSTQMQFVNCI-UHFFFAOYSA-N -1 1 318.804 3.856 20 0 DHADMM CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccc([O-])cc1F ZINC000181993063 523128372 /nfs/dbraw/zinc/12/83/72/523128372.db2.gz GIJMTDIJAOMXKK-INIZCTEOSA-N -1 1 302.349 3.540 20 0 DHADMM COc1cccc([C@@H]2CCCN2C(=O)c2ccc([O-])cc2F)c1 ZINC000181086281 524118518 /nfs/dbraw/zinc/11/85/18/524118518.db2.gz AQMHRMQREVKFQW-KRWDZBQOSA-N -1 1 315.344 3.517 20 0 DHADMM C[C@H]1CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC[C@@H]1C ZINC000338402955 524522076 /nfs/dbraw/zinc/52/20/76/524522076.db2.gz OCKLYONTYMJFPE-QWRGUYRKSA-N -1 1 318.804 3.712 20 0 DHADMM C[C@@H](c1ccncc1)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180412902 526150433 /nfs/dbraw/zinc/15/04/33/526150433.db2.gz OAZLSFDZKLEFRW-JTQLQIEISA-N -1 1 324.302 3.639 20 0 DHADMM Cc1noc(C)c1[C@@H](C)CNC(=O)c1cc2ccccc2cc1[O-] ZINC000162779182 526563614 /nfs/dbraw/zinc/56/36/14/526563614.db2.gz QRYJEWFIUMYACA-NSHDSACASA-N -1 1 324.380 3.684 20 0 DHADMM O=c1nc(CN2CCC3(CCCCC3)CC2)[n-]c2ccsc21 ZINC000102410967 527437874 /nfs/dbraw/zinc/43/78/74/527437874.db2.gz SRMXOJLAQJVNMZ-UHFFFAOYSA-N -1 1 317.458 3.531 20 0 DHADMM Cc1ncsc1NC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000338417541 527516126 /nfs/dbraw/zinc/51/61/26/527516126.db2.gz WRZUCBKHNVDPQC-UHFFFAOYSA-N -1 1 319.773 3.611 20 0 DHADMM Cc1cc(CNC(C)(C)c2ccc(Cl)cc2)oc1C(=O)[O-] ZINC000738390427 599761230 /nfs/dbraw/zinc/76/12/30/599761230.db2.gz ZECRPWGOZPNMQM-UHFFFAOYSA-N -1 1 307.777 3.965 20 0 DHADMM O=C([O-])C[C@@H]1CCCN(Cc2csc(-c3ccsc3)n2)C1 ZINC000054300423 597078270 /nfs/dbraw/zinc/07/82/70/597078270.db2.gz AIEFPSRDTCHNLF-NSHDSACASA-N -1 1 322.455 3.558 20 0 DHADMM CC[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1F ZINC000737784110 597208547 /nfs/dbraw/zinc/20/85/47/597208547.db2.gz QGZKCYXTAVYVJN-MRXNPFEDSA-N -1 1 305.324 3.904 20 0 DHADMM CCCCc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821077842 607307598 /nfs/dbraw/zinc/30/75/98/607307598.db2.gz VYZFANYFGSNSKM-UHFFFAOYSA-N -1 1 313.430 3.883 20 0 DHADMM O=C([O-])c1cccc(CN[C@@H](c2ccccc2)c2ccncc2)c1 ZINC000392452093 598203140 /nfs/dbraw/zinc/20/31/40/598203140.db2.gz KMVDFOFSPYCBFF-IBGZPJMESA-N -1 1 318.376 3.659 20 0 DHADMM Cc1ccccc1[C@@H](CC(C)C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000737418328 599437331 /nfs/dbraw/zinc/43/73/31/599437331.db2.gz AAYJIFQOTMVOCS-MRXNPFEDSA-N -1 1 322.416 3.769 20 0 DHADMM Cc1ccccc1[C@@H](CC(C)C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000737418328 599437334 /nfs/dbraw/zinc/43/73/34/599437334.db2.gz AAYJIFQOTMVOCS-MRXNPFEDSA-N -1 1 322.416 3.769 20 0 DHADMM Cc1cc(CNC2(c3ccc(F)cc3)CCCC2)oc1C(=O)[O-] ZINC000738390419 599803419 /nfs/dbraw/zinc/80/34/19/599803419.db2.gz YTGZEPHTPPXYHN-UHFFFAOYSA-N -1 1 317.360 3.984 20 0 DHADMM O=C([O-])c1coc(CNC2(c3ccc(F)cc3)CCCC2)c1 ZINC000740267775 599803782 /nfs/dbraw/zinc/80/37/82/599803782.db2.gz LSUSLZZEHCYITN-UHFFFAOYSA-N -1 1 303.333 3.676 20 0 DHADMM C[C@H](CN(Cc1c(Cl)cccc1Cl)C1CC1)C(=O)[O-] ZINC000652489395 599949487 /nfs/dbraw/zinc/94/94/87/599949487.db2.gz LLXVUUFBHQMTTH-SECBINFHSA-N -1 1 302.201 3.679 20 0 DHADMM CC[C@](NCc1ccc(F)cc1Cl)(C(=O)[O-])c1ccccc1 ZINC000736920653 600130574 /nfs/dbraw/zinc/13/05/74/600130574.db2.gz QYLGWHAXDVAXJP-QGZVFWFLSA-N -1 1 321.779 3.959 20 0 DHADMM Cc1ccc([C@H]2CSCCN2Cc2occc2C(=O)[O-])cc1 ZINC000580084183 600217888 /nfs/dbraw/zinc/21/78/88/600217888.db2.gz MKTLOXCCIYPSRW-OAHLLOKOSA-N -1 1 317.410 3.576 20 0 DHADMM C[C@@H](N[C@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1Cl ZINC000050509818 600241264 /nfs/dbraw/zinc/24/12/64/600241264.db2.gz AOWKHOCLTXQGKK-BMIGLBTASA-N -1 1 307.752 3.956 20 0 DHADMM CC[C@@H](C)CN(C)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000578634611 600324957 /nfs/dbraw/zinc/32/49/57/600324957.db2.gz CBMQZPKMMVKOCI-GFCCVEGCSA-N -1 1 318.442 3.986 20 0 DHADMM CC[C@H]1CN(Cc2c3ccccc3sc2C(=O)[O-])C[C@H](C)O1 ZINC000736945430 600332255 /nfs/dbraw/zinc/33/22/55/600332255.db2.gz XHPYAHXLFYGAGX-RYUDHWBXSA-N -1 1 319.426 3.599 20 0 DHADMM O=C([O-])[C@H](c1cccc(Cl)c1)N1CC[C@@H](c2ccco2)C1 ZINC000739519277 600409666 /nfs/dbraw/zinc/40/96/66/600409666.db2.gz XRKKDFQXEQMSIW-DOMZBBRYSA-N -1 1 305.761 3.548 20 0 DHADMM C[C@@H]1SCCN(Cc2ccoc2C(=O)[O-])[C@@H]1c1ccccc1 ZINC000573975338 600490679 /nfs/dbraw/zinc/49/06/79/600490679.db2.gz MZLPKNOMEWJRDN-WFASDCNBSA-N -1 1 317.410 3.656 20 0 DHADMM O=C([O-])c1ccc(CNCc2cccc(OC3CCCC3)c2)o1 ZINC000740132023 600525258 /nfs/dbraw/zinc/52/52/58/600525258.db2.gz APXLJGXBQOLSNL-UHFFFAOYSA-N -1 1 315.369 3.589 20 0 DHADMM O=C([O-])c1ccc2c(c1)CN(c1ccnc3cc(F)ccc31)C2 ZINC000740202652 600638175 /nfs/dbraw/zinc/63/81/75/600638175.db2.gz IXYBHBSMPGHTKJ-UHFFFAOYSA-N -1 1 308.312 3.592 20 0 DHADMM O=C([O-])[C@H](N[C@H]1CCSc2ccccc21)c1ccccc1F ZINC000833166402 600734094 /nfs/dbraw/zinc/73/40/94/600734094.db2.gz GTFHYJXRKPFTMC-GOEBONIOSA-N -1 1 317.385 3.778 20 0 DHADMM O=C([O-])[C@@H](N[C@@H]1CCSc2ccccc21)c1ccccc1F ZINC000833166404 600734122 /nfs/dbraw/zinc/73/41/22/600734122.db2.gz GTFHYJXRKPFTMC-ZBFHGGJFSA-N -1 1 317.385 3.778 20 0 DHADMM O=C([O-])[C@H](N[C@H]1CCc2c1cccc2Cl)c1ccccc1F ZINC000833168641 600742671 /nfs/dbraw/zinc/74/26/71/600742671.db2.gz YWRKHYUWOZKDFI-JKSUJKDBSA-N -1 1 319.763 3.882 20 0 DHADMM CC1CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)CC1 ZINC000582186657 600815565 /nfs/dbraw/zinc/81/55/65/600815565.db2.gz KYORCYRZHUCDQQ-UHFFFAOYSA-N -1 1 316.426 3.740 20 0 DHADMM CC(C)CCN(C)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000652388672 600818962 /nfs/dbraw/zinc/81/89/62/600818962.db2.gz QOIPYZRFUOJQFL-UHFFFAOYSA-N -1 1 318.442 3.986 20 0 DHADMM CCc1ccc([C@@H]2CCCCN2Cc2ccc(C(=O)[O-])o2)o1 ZINC000737258258 600969506 /nfs/dbraw/zinc/96/95/06/600969506.db2.gz ADGUMBFUIZJRCH-AWEZNQCLSA-N -1 1 303.358 3.860 20 0 DHADMM CC[C@@H](C)N(C)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000568059940 600995623 /nfs/dbraw/zinc/99/56/23/600995623.db2.gz MFGIBXYFXDJYHO-LLVKDONJSA-N -1 1 304.415 3.739 20 0 DHADMM CCCC[C@H](C(=O)[O-])N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000829286059 600998621 /nfs/dbraw/zinc/99/86/21/600998621.db2.gz QEPZHXOUCBHUJG-MRXNPFEDSA-N -1 1 320.820 3.823 20 0 DHADMM C/C(=C\CN1CCc2sccc2[C@H]1c1cccs1)C(=O)[O-] ZINC000825746069 601048829 /nfs/dbraw/zinc/04/88/29/601048829.db2.gz DZFOSIIHWVBPFG-GZOXUHRPSA-N -1 1 319.451 3.788 20 0 DHADMM C/C(=C\CN(Cc1cccs1)Cc1cccs1)C(=O)[O-] ZINC000825733904 601154847 /nfs/dbraw/zinc/15/48/47/601154847.db2.gz GPYHPGWCVBJIGQ-WUXMJOGZSA-N -1 1 307.440 3.843 20 0 DHADMM Cc1cc([C@@H](C)N[C@@H](C(=O)[O-])c2ccccc2F)ccc1F ZINC000832878498 601370192 /nfs/dbraw/zinc/37/01/92/601370192.db2.gz XUVUJYJZOIUKQJ-BDJLRTHQSA-N -1 1 305.324 3.750 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CNC(C)(C)c1ccccc1OC ZINC000830376179 601417577 /nfs/dbraw/zinc/41/75/77/601417577.db2.gz VCLBCMONOLGMFU-UHFFFAOYSA-N -1 1 317.385 3.574 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN(CC)[C@H](C)c1cccc(O)c1 ZINC000830363312 601420545 /nfs/dbraw/zinc/42/05/45/601420545.db2.gz RIVFKGZOCPJHQN-GFCCVEGCSA-N -1 1 317.385 3.829 20 0 DHADMM O=C([O-])c1ccoc1CN1CCCC[C@@H]1c1ccc(F)cc1 ZINC000833333403 601452206 /nfs/dbraw/zinc/45/22/06/601452206.db2.gz GJOOVPGBAKJMLW-OAHLLOKOSA-N -1 1 303.333 3.844 20 0 DHADMM C[C@H](c1ccccc1F)N(C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000318421514 601619720 /nfs/dbraw/zinc/61/97/20/601619720.db2.gz MLTNOYNRGZEATB-LLVKDONJSA-N -1 1 305.324 3.856 20 0 DHADMM O=C([O-])c1ccc(CN2CCCC[C@@H]2c2ccco2)cc1F ZINC000833312863 601641205 /nfs/dbraw/zinc/64/12/05/601641205.db2.gz IMAWBMLARXDUDY-OAHLLOKOSA-N -1 1 303.333 3.844 20 0 DHADMM COc1cc(C)ccc1CN[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000831967146 601850995 /nfs/dbraw/zinc/85/09/95/601850995.db2.gz PWPPLNHFFQZCMZ-INIZCTEOSA-N -1 1 319.788 3.573 20 0 DHADMM CC[C@@H](SCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825160060 607533787 /nfs/dbraw/zinc/53/37/87/607533787.db2.gz XHFYAHHXPOTBAU-OAHLLOKOSA-N -1 1 311.414 3.646 20 0 DHADMM CC[C@@H](SCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825160060 607533789 /nfs/dbraw/zinc/53/37/89/607533789.db2.gz XHFYAHHXPOTBAU-OAHLLOKOSA-N -1 1 311.414 3.646 20 0 DHADMM C[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1ccc(F)c(Cl)c1 ZINC000825501655 603540548 /nfs/dbraw/zinc/54/05/48/603540548.db2.gz DPWSOGWRYVCYLF-SECBINFHSA-N -1 1 323.755 3.815 20 0 DHADMM Cc1cc(N2CCC(CCC(=O)[O-])CC2)c2cc(F)ccc2n1 ZINC000662884819 604269965 /nfs/dbraw/zinc/26/99/65/604269965.db2.gz ZAUJQRYBKYKRLE-UHFFFAOYSA-N -1 1 316.376 3.764 20 0 DHADMM CN(C(=O)[O-])c1ccc(NCc2cnc(-c3ccccc3)[nH]2)cc1 ZINC000830519831 604644135 /nfs/dbraw/zinc/64/41/35/604644135.db2.gz XJYXHYFSRQRPEV-UHFFFAOYSA-N -1 1 322.368 3.803 20 0 DHADMM C[C@@H](NCc1ccc(C(=O)[O-])o1)c1ccc(Br)cc1 ZINC000071396175 605059174 /nfs/dbraw/zinc/05/91/74/605059174.db2.gz CXNWMSJOOCWEHK-SECBINFHSA-N -1 1 324.174 3.591 20 0 DHADMM C[C@H](c1cc(Cl)ccc1Cl)N1CCC(C(=O)[O-])CC1 ZINC000086727575 605061284 /nfs/dbraw/zinc/06/12/84/605061284.db2.gz YQCVITOWIHTWCX-SECBINFHSA-N -1 1 302.201 3.851 20 0 DHADMM CC(C)Oc1ccccc1[C@H](C)NCc1ccoc1C(=O)[O-] ZINC000833507435 605069791 /nfs/dbraw/zinc/06/97/91/605069791.db2.gz MUPFHBAHRUDHTA-LBPRGKRZSA-N -1 1 303.358 3.616 20 0 DHADMM CC(C)Oc1ccccc1[C@@H](C)NCc1ccoc1C(=O)[O-] ZINC000833507434 605070555 /nfs/dbraw/zinc/07/05/55/605070555.db2.gz MUPFHBAHRUDHTA-GFCCVEGCSA-N -1 1 303.358 3.616 20 0 DHADMM CC(C)(C)OCc1cccc(CNCc2ccc(C(=O)[O-])o2)c1 ZINC000833445110 605087503 /nfs/dbraw/zinc/08/75/03/605087503.db2.gz BJJAUHUGDZEMNW-UHFFFAOYSA-N -1 1 317.385 3.583 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CNC1(c2cccc(Cl)c2)CC1 ZINC000833681387 605143049 /nfs/dbraw/zinc/14/30/49/605143049.db2.gz ZYFMBDYUYQCRJE-UHFFFAOYSA-N -1 1 319.788 3.973 20 0 DHADMM CC(C)(C)C[C@@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)[O-] ZINC000833430349 605147837 /nfs/dbraw/zinc/14/78/37/605147837.db2.gz VZCAJKLZPGSAEA-LLVKDONJSA-N -1 1 323.393 3.592 20 0 DHADMM C[C@H]1CCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C[C@H]1C ZINC000576113943 605216641 /nfs/dbraw/zinc/21/66/41/605216641.db2.gz DJXWJYLWRXFFCW-QWHCGFSZSA-N -1 1 314.385 3.518 20 0 DHADMM Cc1ccc2nc(C=Cc3ccc(-c4nn[n-]n4)s3)ccc2c1 ZINC000822280284 606389426 /nfs/dbraw/zinc/38/94/26/606389426.db2.gz JPRMYKTUFXNNFZ-AATRIKPKSA-N -1 1 319.393 3.955 20 0 DHADMM CC(C)C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1cccs1 ZINC000824235341 607901345 /nfs/dbraw/zinc/90/13/45/607901345.db2.gz FWEFVWQZDCAHEG-GFCCVEGCSA-N -1 1 314.418 3.523 20 0 DHADMM CC(C)C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1cccs1 ZINC000824235341 607901346 /nfs/dbraw/zinc/90/13/46/607901346.db2.gz FWEFVWQZDCAHEG-GFCCVEGCSA-N -1 1 314.418 3.523 20 0 DHADMM c1ccc([C@@H](CC2CCC2)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826520279 609321580 /nfs/dbraw/zinc/32/15/80/609321580.db2.gz DXQALBDBEUZCHD-MRXNPFEDSA-N -1 1 320.400 3.605 20 0 DHADMM c1ccc([C@@H](CC2CCC2)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826520279 609321581 /nfs/dbraw/zinc/32/15/81/609321581.db2.gz DXQALBDBEUZCHD-MRXNPFEDSA-N -1 1 320.400 3.605 20 0 DHADMM Cc1ccc(CN[C@](C)(C(=O)[O-])c2ccccc2)c(Cl)c1 ZINC001600419600 970807648 /nfs/dbraw/zinc/80/76/48/970807648.db2.gz PGWCIGAMPCNARO-KRWDZBQOSA-N -1 1 303.789 3.738 20 0 DHADMM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2ccc(Cl)cc2Cl)C1 ZINC000263157867 950301921 /nfs/dbraw/zinc/30/19/21/950301921.db2.gz FXUCJKRMFRMZPP-KOLCDFICSA-N -1 1 302.201 3.536 20 0 DHADMM Cc1ccc(-c2nc(CN3CCCC[C@@H]3CC(=O)[O-])cs2)o1 ZINC000650506726 954021263 /nfs/dbraw/zinc/02/12/63/954021263.db2.gz YGEFTUNCCSTOBK-CYBMUJFWSA-N -1 1 320.414 3.541 20 0 DHADMM O=C(Nc1c(F)cccc1Oc1ccccc1)c1cncc([O-])c1 ZINC000339947159 1013124003 /nfs/dbraw/zinc/12/40/03/1013124003.db2.gz IKIBRAZNWQLFDZ-UHFFFAOYSA-N -1 1 324.311 3.971 20 0 DHADMM COC[C@H](NCc1ccc(C(=O)[O-])cc1)c1cccc(Cl)c1 ZINC001593958030 956456910 /nfs/dbraw/zinc/45/69/10/956456910.db2.gz YHYFJYBNSLINKW-INIZCTEOSA-N -1 1 319.788 3.516 20 0 DHADMM O=C([O-])[C@@H](NCc1ccccc1)c1cccc(Cl)c1Cl ZINC000037952366 957338223 /nfs/dbraw/zinc/33/82/23/957338223.db2.gz XJCAPZXHJZLFPC-AWEZNQCLSA-N -1 1 310.180 3.909 20 0 DHADMM Cc1cccc([C@H](NCc2cc(Cl)ccc2F)C(=O)[O-])c1 ZINC001594397241 958779919 /nfs/dbraw/zinc/77/99/19/958779919.db2.gz GMOFXTSUZUZBPE-HNNXBMFYSA-N -1 1 307.752 3.703 20 0 DHADMM Cc1csc(CN2CCC(c3ccccc3C(=O)[O-])CC2)n1 ZINC001594437614 959249686 /nfs/dbraw/zinc/24/96/86/959249686.db2.gz HHHBAZZPDDOJMF-UHFFFAOYSA-N -1 1 316.426 3.529 20 0 DHADMM Cc1coc(C)c1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000340007646 1013196189 /nfs/dbraw/zinc/19/61/89/1013196189.db2.gz OEQHLQQTSSLLSI-UHFFFAOYSA-N -1 1 324.174 3.925 20 0 DHADMM Cc1cnc(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)c([O-])c1 ZINC000426440839 1013232368 /nfs/dbraw/zinc/23/23/68/1013232368.db2.gz UAAHIGZFOFCYJE-CQSZACIVSA-N -1 1 316.788 3.726 20 0 DHADMM COCc1ccccc1NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001625859727 1013299665 /nfs/dbraw/zinc/29/96/65/1013299665.db2.gz NLEYIMCIOKQWDH-UHFFFAOYSA-N -1 1 323.348 3.650 20 0 DHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc3nc(C)ccc3c2)o1 ZINC000426769797 1013501231 /nfs/dbraw/zinc/50/12/31/1013501231.db2.gz LWRPXRNEDBMBGJ-QGZVFWFLSA-N -1 1 324.380 3.750 20 0 DHADMM Cc1ccc2nc(C)c(C(=O)Nc3ccc(F)cc3[O-])cc2c1 ZINC000340329614 1013497219 /nfs/dbraw/zinc/49/72/19/1013497219.db2.gz YVKAUGJJNBDMAN-UHFFFAOYSA-N -1 1 310.328 3.949 20 0 DHADMM O=C(CCC(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1[O-] ZINC000340332098 1013500022 /nfs/dbraw/zinc/50/00/22/1013500022.db2.gz IBQYAAVMFBYMPI-UHFFFAOYSA-N -1 1 321.735 3.786 20 0 DHADMM Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(F)cc1[O-] ZINC000340331612 1013500457 /nfs/dbraw/zinc/50/04/57/1013500457.db2.gz YAFJWGFFNPPMDP-UHFFFAOYSA-N -1 1 312.300 3.747 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000340332686 1013502687 /nfs/dbraw/zinc/50/26/87/1013502687.db2.gz YPHUJDGOUQKIHA-WDEREUQCSA-N -1 1 307.271 3.552 20 0 DHADMM COCc1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000323765716 1013509775 /nfs/dbraw/zinc/50/97/75/1013509775.db2.gz WOBLJZUHALPETL-UHFFFAOYSA-N -1 1 307.349 3.944 20 0 DHADMM O=C([O-])C[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2)C1 ZINC000086756862 967575344 /nfs/dbraw/zinc/57/53/44/967575344.db2.gz NWNRMVDIAXCDCY-JTQLQIEISA-N -1 1 302.201 3.680 20 0 DHADMM C[C@H](CC1CC1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000112707650 1013757868 /nfs/dbraw/zinc/75/78/68/1013757868.db2.gz PBAHOSAUKKNXPP-ZCFIWIBFSA-N -1 1 314.259 3.522 20 0 DHADMM CN(C(=O)c1ccc([O-])cc1F)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000458023251 1013843178 /nfs/dbraw/zinc/84/31/78/1013843178.db2.gz IMFDOSACIGWTTP-CRAIPNDOSA-N -1 1 313.372 3.940 20 0 DHADMM Cc1ccnc(C)c1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000330916343 1013850997 /nfs/dbraw/zinc/85/09/97/1013850997.db2.gz ZWJABXWBDHPMBP-UHFFFAOYSA-N -1 1 318.442 3.797 20 0 DHADMM CC1(C)[C@H](C(F)(F)F)CCN1Cc1ccc(C(=O)[O-])cc1F ZINC000318803906 970474933 /nfs/dbraw/zinc/47/49/33/970474933.db2.gz VKNZSZHVJNOHBM-GFCCVEGCSA-N -1 1 319.298 3.687 20 0 DHADMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000780366385 1014029232 /nfs/dbraw/zinc/02/92/32/1014029232.db2.gz KQQAGXZRSZEUDS-UHFFFAOYSA-N -1 1 315.316 3.873 20 0 DHADMM CCCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000048660201 1014084099 /nfs/dbraw/zinc/08/40/99/1014084099.db2.gz SRXXNJATKGWAFE-UHFFFAOYSA-N -1 1 316.637 3.725 20 0 DHADMM Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc([O-])c(F)c3)C2)cc1 ZINC000683891142 1014095444 /nfs/dbraw/zinc/09/54/44/1014095444.db2.gz YVXLVZIWOXCUPU-BBRMVZONSA-N -1 1 313.372 3.858 20 0 DHADMM COc1nccc(Nc2ccc(Cl)c(Cl)c2[O-])c1OC ZINC001211093462 1014152505 /nfs/dbraw/zinc/15/25/05/1014152505.db2.gz YBGQLUAKBCDQQM-UHFFFAOYSA-N -1 1 315.156 3.855 20 0 DHADMM CCOc1c(Cl)cccc1CNCc1ccc(C(=O)[O-])cc1 ZINC001603850281 974353492 /nfs/dbraw/zinc/35/34/92/974353492.db2.gz TWRNMHXZUPUIJA-UHFFFAOYSA-N -1 1 319.788 3.727 20 0 DHADMM COCc1ccc([C@H]2CCCN2Cc2ccsc2C(=O)[O-])o1 ZINC000565103817 974570680 /nfs/dbraw/zinc/57/06/80/974570680.db2.gz BKQWRJJSGOGQIY-CYBMUJFWSA-N -1 1 321.398 3.523 20 0 DHADMM CN(Cc1ccoc1C(=O)[O-])Cc1cccc(C(F)(F)F)c1 ZINC000565104133 974570838 /nfs/dbraw/zinc/57/08/38/974570838.db2.gz NFIBTRAKXYPKFV-UHFFFAOYSA-N -1 1 313.275 3.629 20 0 DHADMM COc1ccc([C@@H](C)N(C)Cc2ccc(C(=O)[O-])cc2F)cc1 ZINC000566357547 974606483 /nfs/dbraw/zinc/60/64/83/974606483.db2.gz BJOKGRLIGDRELP-GFCCVEGCSA-N -1 1 317.360 3.726 20 0 DHADMM Cc1oc(CN2CCC[C@@H]2c2cccc(F)c2)cc1C(=O)[O-] ZINC000569347614 974689024 /nfs/dbraw/zinc/68/90/24/974689024.db2.gz JJQSDPKSKXMBJR-MRXNPFEDSA-N -1 1 303.333 3.762 20 0 DHADMM C[C@@]1(C(=O)[O-])CCCN(Cc2csc(-c3cccs3)n2)C1 ZINC000569857645 974701345 /nfs/dbraw/zinc/70/13/45/974701345.db2.gz QEHFRCNORCJUER-OAHLLOKOSA-N -1 1 322.455 3.558 20 0 DHADMM Cc1ccc(CN(Cc2ccc(C(=O)[O-])cn2)C2CC2)cc1C ZINC000576950118 974826656 /nfs/dbraw/zinc/82/66/56/974826656.db2.gz DMAWTRJJQIZQMR-UHFFFAOYSA-N -1 1 310.397 3.561 20 0 DHADMM Cc1oc(CN(C)Cc2cccc(C(F)F)c2)cc1C(=O)[O-] ZINC000579364493 974874359 /nfs/dbraw/zinc/87/43/59/974874359.db2.gz JYBXGTQELRMAET-UHFFFAOYSA-N -1 1 309.312 3.856 20 0 DHADMM CC(C)(C)c1nc(CN2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)cs1 ZINC000629375415 975089615 /nfs/dbraw/zinc/08/96/15/975089615.db2.gz ZSOFCKZYPRBXHY-HZSPNIEDSA-N -1 1 322.474 3.516 20 0 DHADMM [O-]c1c(F)c(F)ccc1Nc1cnccc1Br ZINC001211238591 1014253089 /nfs/dbraw/zinc/25/30/89/1014253089.db2.gz ZGZFMXGAQJYNCQ-UHFFFAOYSA-N -1 1 301.090 3.572 20 0 DHADMM COCc1ccc([C@H]2CCCN2[C@@H](C)c2ccc(C(=O)[O-])o2)o1 ZINC000652444222 975533598 /nfs/dbraw/zinc/53/35/98/975533598.db2.gz BRXGMBSHORZJRI-WCQYABFASA-N -1 1 319.357 3.615 20 0 DHADMM O=C([O-])c1cccc2c1CN(Cc1cccc(C(F)F)c1)CC2 ZINC000652487257 975554387 /nfs/dbraw/zinc/55/43/87/975554387.db2.gz YJTCLJQZGGFMAO-UHFFFAOYSA-N -1 1 317.335 3.881 20 0 DHADMM CC12CC(C1)CN2[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000663315704 975942498 /nfs/dbraw/zinc/94/24/98/975942498.db2.gz MUQCKTNSIGIUEY-YEMQSEFVSA-N -1 1 300.185 3.603 20 0 DHADMM CC(=O)Oc1c[nH]c2cc(-c3cc(F)c([O-])cc3F)ccc12 ZINC001211351641 1014366554 /nfs/dbraw/zinc/36/65/54/1014366554.db2.gz AGTHKWUKTNLUFF-UHFFFAOYSA-N -1 1 303.264 3.744 20 0 DHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)c1cncc(O)c1 ZINC001167444653 1014534716 /nfs/dbraw/zinc/53/47/16/1014534716.db2.gz JXTDCZPQCBWWHT-UHFFFAOYSA-N -1 1 314.728 3.552 20 0 DHADMM CO[C@@H](CSc1ncc(C)c(=O)[n-]1)c1ccc(Cl)cc1 ZINC000581143592 1014590474 /nfs/dbraw/zinc/59/04/74/1014590474.db2.gz XQFXJKOGDGTZQN-LBPRGKRZSA-N -1 1 310.806 3.624 20 0 DHADMM CC[C@H](N[C@H](C(=O)[O-])c1ccccc1F)c1ccccc1OC ZINC001595277632 980307001 /nfs/dbraw/zinc/30/70/01/980307001.db2.gz WUCXHUHVXWSKDO-RDJZCZTQSA-N -1 1 317.360 3.701 20 0 DHADMM CC[C@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1ccccc1OC ZINC001595277630 980307041 /nfs/dbraw/zinc/30/70/41/980307041.db2.gz WUCXHUHVXWSKDO-DOTOQJQBSA-N -1 1 317.360 3.701 20 0 DHADMM CC[C@H](N[C@H](C)c1cc(C(=O)[O-])co1)c1ccc(OC)cc1 ZINC001595278771 980313644 /nfs/dbraw/zinc/31/36/44/980313644.db2.gz IPHMSDQHDYGRQB-ABAIWWIYSA-N -1 1 303.358 3.788 20 0 DHADMM O=C([O-])[C@]1(F)CCN(Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000901516177 980334642 /nfs/dbraw/zinc/33/46/42/980334642.db2.gz RMIDCGRXCIWICP-INIZCTEOSA-N -1 1 323.364 3.553 20 0 DHADMM CC[C@@H](N[C@@H]1COc2ccc(C)cc21)c1ccc(C(=O)[O-])cc1 ZINC001595283824 980349245 /nfs/dbraw/zinc/34/92/45/980349245.db2.gz LJZGJALLOKAHQI-IAGOWNOFSA-N -1 1 311.381 3.868 20 0 DHADMM CC[C@](NCC=C(Cl)Cl)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595291853 980395322 /nfs/dbraw/zinc/39/53/22/980395322.db2.gz PQKVYWNYKFZHKM-CYBMUJFWSA-N -1 1 322.619 3.939 20 0 DHADMM CC(C)O[C@@H](CN[C@@H](C(=O)[O-])c1cccs1)c1ccccc1 ZINC000901597019 980398995 /nfs/dbraw/zinc/39/89/95/980398995.db2.gz DKOOVXZNLUHAGF-GOEBONIOSA-N -1 1 319.426 3.630 20 0 DHADMM Cc1cc(CNCc2cccc(OC(C)(C)C)c2)oc1C(=O)[O-] ZINC000901938853 980641230 /nfs/dbraw/zinc/64/12/30/980641230.db2.gz MBJDZTUTEBAGOD-UHFFFAOYSA-N -1 1 317.385 3.753 20 0 DHADMM Cc1cc(CNCc2cccc(OCC(C)C)c2)oc1C(=O)[O-] ZINC000901938829 980641289 /nfs/dbraw/zinc/64/12/89/980641289.db2.gz LRMUEVVZWHLWHA-UHFFFAOYSA-N -1 1 317.385 3.611 20 0 DHADMM Cc1cc(CNCc2ccccc2COC(C)C)oc1C(=O)[O-] ZINC000902123573 980745670 /nfs/dbraw/zinc/74/56/70/980745670.db2.gz XIYRFKBKMKNVOC-UHFFFAOYSA-N -1 1 317.385 3.501 20 0 DHADMM C[N@@H+](CCCCc1ccccc1)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC000902140516 980753523 /nfs/dbraw/zinc/75/35/23/980753523.db2.gz HCOSEUUEYKOORL-OUKQBFOZSA-N -1 1 313.397 3.832 20 0 DHADMM CC[C@@H](c1ccccc1OC)N(C)Cc1cc(C)c(C(=O)[O-])o1 ZINC001595364350 980793202 /nfs/dbraw/zinc/79/32/02/980793202.db2.gz UHWAGPDECJSYSP-HNNXBMFYSA-N -1 1 317.385 3.878 20 0 DHADMM C[C@H](NCc1ccoc1C(=O)[O-])c1ccccc1C(F)(F)F ZINC000902313576 980829185 /nfs/dbraw/zinc/82/91/85/980829185.db2.gz RTPCSEJTHPEQBT-VIFPVBQESA-N -1 1 313.275 3.847 20 0 DHADMM CC(C)(NCc1csc(C(=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000902342303 980840801 /nfs/dbraw/zinc/84/08/01/980840801.db2.gz SWQNMTHZGSAXGB-UHFFFAOYSA-N -1 1 311.353 3.749 20 0 DHADMM Cc1oc(CN[C@H]2CCc3ccc(Cl)cc32)cc1C(=O)[O-] ZINC000902370139 980858290 /nfs/dbraw/zinc/85/82/90/980858290.db2.gz PRVFRPYOCWQJIE-HNNXBMFYSA-N -1 1 305.761 3.717 20 0 DHADMM Cc1oc(CNC2(c3cccc(F)c3)CCC2)cc1C(=O)[O-] ZINC000902371508 980859188 /nfs/dbraw/zinc/85/91/88/980859188.db2.gz BKXBQJARRYAGJD-UHFFFAOYSA-N -1 1 303.333 3.594 20 0 DHADMM CC[C@H](OCCNCc1cc(C)c(C(=O)[O-])o1)c1ccccc1 ZINC000902403135 980872177 /nfs/dbraw/zinc/87/21/77/980872177.db2.gz OBILWNIBDXAABC-INIZCTEOSA-N -1 1 317.385 3.544 20 0 DHADMM CCCOc1ccc(CNCc2cc(C(=O)[O-])c(C)o2)c(C)c1 ZINC000902406919 980873109 /nfs/dbraw/zinc/87/31/09/980873109.db2.gz UEJOSDDPGZAJDZ-UHFFFAOYSA-N -1 1 317.385 3.673 20 0 DHADMM CC[C@@H](c1ccccc1OC)N(C)Cc1cc(C(=O)[O-])co1 ZINC000902541988 980927244 /nfs/dbraw/zinc/92/72/44/980927244.db2.gz AZOSCRYVTCNADB-HNNXBMFYSA-N -1 1 303.358 3.570 20 0 DHADMM O=C([O-])[C@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@H](CF)C1 ZINC000903607871 980988275 /nfs/dbraw/zinc/98/82/75/980988275.db2.gz NQURHMRAFSJWHG-RNCFNFMXSA-N -1 1 320.191 3.801 20 0 DHADMM CC(C)[C@@H]1C[C@H](NCc2ccc(C(=O)[O-])cn2)c2ccccc21 ZINC000905726958 981125560 /nfs/dbraw/zinc/12/55/60/981125560.db2.gz BKPWKSRPBYGNHP-ROUUACIJSA-N -1 1 310.397 3.754 20 0 DHADMM C[C@H](N[C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)c1ccccn1 ZINC000905756248 981143751 /nfs/dbraw/zinc/14/37/51/981143751.db2.gz WXDREIYLQFZVFS-HZMBPMFUSA-N -1 1 324.302 3.577 20 0 DHADMM CC(C)(C)c1coc(CN[C@@H]2CCC[C@H](CCCC(=O)[O-])C2)n1 ZINC000905790437 981151547 /nfs/dbraw/zinc/15/15/47/981151547.db2.gz SRDIVQRPJNKIOC-ZIAGYGMSSA-N -1 1 322.449 3.875 20 0 DHADMM O=S(=O)([N-]c1ccc2ccoc2c1)c1ccc(Cl)cc1 ZINC000442847962 1014745079 /nfs/dbraw/zinc/74/50/79/1014745079.db2.gz RDVRKZBEYWYIHE-UHFFFAOYSA-N -1 1 307.758 3.887 20 0 DHADMM COc1cc(C(=O)N(C)[C@@H]2CCC[C@H](C)C2)cc(Cl)c1[O-] ZINC000442858344 1014749959 /nfs/dbraw/zinc/74/99/59/1014749959.db2.gz RUZIYCXRFOGAIG-CMPLNLGQSA-N -1 1 311.809 3.705 20 0 DHADMM C[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C1CCCCC1 ZINC000581408391 1014789049 /nfs/dbraw/zinc/78/90/49/1014789049.db2.gz JXDQFLZBQOUUBW-LBPRGKRZSA-N -1 1 307.415 3.680 20 0 DHADMM COc1cc(-c2nc(-c3ccc(F)cc3)no2)cc(Cl)c1[O-] ZINC000443103821 1014816049 /nfs/dbraw/zinc/81/60/49/1014816049.db2.gz MIQVCIXIKFOYRZ-UHFFFAOYSA-N -1 1 320.707 3.910 20 0 DHADMM CCCCCN(Cc1cc(C(=O)[O-])no1)Cc1ccc(F)cc1 ZINC001595715787 982316621 /nfs/dbraw/zinc/31/66/21/982316621.db2.gz FAOITSOESSVFIY-UHFFFAOYSA-N -1 1 320.364 3.704 20 0 DHADMM Cc1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1N(C)C ZINC000113711652 1015115775 /nfs/dbraw/zinc/11/57/75/1015115775.db2.gz CQZDBCPIUZLKES-UHFFFAOYSA-N -1 1 324.833 3.515 20 0 DHADMM CC[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C[C@H](CC)O1 ZINC000398763588 1015131885 /nfs/dbraw/zinc/13/18/85/1015131885.db2.gz FVESFRNKDIIKSR-IYBDPMFKSA-N -1 1 313.397 3.575 20 0 DHADMM CC[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])C[C@H](CC)O1 ZINC000398803348 1015161754 /nfs/dbraw/zinc/16/17/54/1015161754.db2.gz UUTKXAWABDCXPX-GASCZTMLSA-N -1 1 313.397 3.575 20 0 DHADMM C[C@H]1CN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)Cc2ccccc21 ZINC001594535324 986146639 /nfs/dbraw/zinc/14/66/39/986146639.db2.gz MUFOHRNSLINUGM-LBPRGKRZSA-N -1 1 310.397 3.710 20 0 DHADMM C[C@H]1CN(Cc2c(Cl)cccc2C(=O)[O-])CCC1(F)F ZINC001594536511 986154126 /nfs/dbraw/zinc/15/41/26/986154126.db2.gz REDWLDXLRXYDCQ-VIFPVBQESA-N -1 1 303.736 3.515 20 0 DHADMM CC[C@@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1F ZINC001597291108 987376385 /nfs/dbraw/zinc/37/63/85/987376385.db2.gz BHCWQOHOHDKIOM-CVEARBPZSA-N -1 1 305.324 3.831 20 0 DHADMM CCc1[nH]c(CN2CC[C@H](C)[C@H]3CCCC[C@H]32)cc1C(=O)[O-] ZINC001597384998 987593397 /nfs/dbraw/zinc/59/33/97/987593397.db2.gz PHHOLSPMMNWZBN-DXCKQFNASA-N -1 1 304.434 3.676 20 0 DHADMM CCc1[nH]c(CN2CCC[C@H]2c2ccsc2)cc1C(=O)[O-] ZINC001597386247 987602886 /nfs/dbraw/zinc/60/28/86/987602886.db2.gz HDRVYXGVIMBTRL-HNNXBMFYSA-N -1 1 304.415 3.674 20 0 DHADMM CC(C)(C)C1CCN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)CC1 ZINC001589731844 987950952 /nfs/dbraw/zinc/95/09/52/987950952.db2.gz HXSDNGWRKPUARX-UHFFFAOYSA-N -1 1 315.417 3.519 20 0 DHADMM CCc1ccc(-c2n[nH]c(S[C@@H](C(=O)[O-])[C@H](C)CC)n2)cc1 ZINC001597492033 988023328 /nfs/dbraw/zinc/02/33/28/988023328.db2.gz OFGHTVFVMSVKHH-ZWNOBZJWSA-N -1 1 319.430 3.626 20 0 DHADMM Cc1cccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)c1 ZINC000474437284 1015360355 /nfs/dbraw/zinc/36/03/55/1015360355.db2.gz YWJDKJQQGILBNK-UHFFFAOYSA-N -1 1 319.430 3.567 20 0 DHADMM CSc1ccc(F)cc1CNCc1ccc(C(=O)[O-])c(C)c1 ZINC001599814831 988403636 /nfs/dbraw/zinc/40/36/36/988403636.db2.gz UNMQVDKHJQHGMU-UHFFFAOYSA-N -1 1 319.401 3.844 20 0 DHADMM CSc1cccc(F)c1CNCc1ccc(C(=O)[O-])c(C)c1 ZINC001599822236 988534756 /nfs/dbraw/zinc/53/47/56/988534756.db2.gz PWOZCYQWIZEPKK-UHFFFAOYSA-N -1 1 319.401 3.844 20 0 DHADMM CCc1oc(CN2C[C@H](C)C[C@H]2c2cccnc2)cc1C(=O)[O-] ZINC001597797380 989361799 /nfs/dbraw/zinc/36/17/99/989361799.db2.gz ZYJMZUIIDSFEFQ-WBMJQRKESA-N -1 1 314.385 3.518 20 0 DHADMM C[C@@H](C(=O)Nc1c([O-])cc(Br)cc1Cl)C1CC1 ZINC000581964805 1015596845 /nfs/dbraw/zinc/59/68/45/1015596845.db2.gz DPJIKFUJTKAMKS-ZCFIWIBFSA-N -1 1 318.598 3.793 20 0 DHADMM CN(Cc1ccc(C(=O)[O-])cc1)Cc1cnc2c(F)cccc2c1 ZINC001598514016 992599389 /nfs/dbraw/zinc/59/93/89/992599389.db2.gz RGUIFPQKNZHNKB-UHFFFAOYSA-N -1 1 324.355 3.704 20 0 DHADMM CC(C)[C@H](N[C@@H](C)c1cncc(C(=O)[O-])c1)c1ccccc1F ZINC001593211083 994259588 /nfs/dbraw/zinc/25/95/88/994259588.db2.gz VNSMYJPCEVPAAZ-SJCJKPOMSA-N -1 1 316.376 3.967 20 0 DHADMM C[C@@H](N[C@@H]1CCCc2ccc(C(=O)[O-])cc21)c1ccns1 ZINC001593219008 994293034 /nfs/dbraw/zinc/29/30/34/994293034.db2.gz LNRFPNHVPXXNBU-QMTHXVAHSA-N -1 1 302.399 3.570 20 0 DHADMM C[C@@H](N[C@H]1CSc2ccccc21)c1cc(C(=O)[O-])cs1 ZINC001593234362 994401247 /nfs/dbraw/zinc/40/12/47/994401247.db2.gz YWEFPYPXOISRQK-SKDRFNHKSA-N -1 1 305.424 3.944 20 0 DHADMM C[C@@H](NCc1cc2ccccc2s1)c1ncc(C(=O)[O-])s1 ZINC001593293678 994685588 /nfs/dbraw/zinc/68/55/88/994685588.db2.gz WXTWDQRRYYZPSJ-SECBINFHSA-N -1 1 318.423 3.907 20 0 DHADMM C[C@H](c1cccs1)N(C)Cc1cc(C(=O)[O-])c2n1CCCC2 ZINC001593723076 996254641 /nfs/dbraw/zinc/25/46/41/996254641.db2.gz HJNROPKCHGVDTC-GFCCVEGCSA-N -1 1 318.442 3.777 20 0 DHADMM CC1(C)C[C@]1(NCc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001593868131 996674070 /nfs/dbraw/zinc/67/40/70/996674070.db2.gz FDLFEPZXOLFNEO-IBGZPJMESA-N -1 1 313.372 3.939 20 0 DHADMM COC[C@@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001599176847 996863106 /nfs/dbraw/zinc/86/31/06/996863106.db2.gz HZDKCAZYMQXOHE-MRXNPFEDSA-N -1 1 319.788 3.516 20 0 DHADMM CCc1nc(SC[C@H](C)c2ccc(OC)cc2)[n-]c(=O)c1C ZINC000657264109 1016138173 /nfs/dbraw/zinc/13/81/73/1016138173.db2.gz DZJWDAVPPNOAMF-NSHDSACASA-N -1 1 318.442 3.957 20 0 DHADMM CN(Cc1cccc(O)c1)C(=O)c1ccc2ccccc2c1[O-] ZINC000080380952 1016141661 /nfs/dbraw/zinc/14/16/61/1016141661.db2.gz CPXSJURPWYISEO-UHFFFAOYSA-N -1 1 307.349 3.523 20 0 DHADMM C[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1cc(C(=O)[O-])cs1 ZINC001594172062 998660999 /nfs/dbraw/zinc/66/09/99/998660999.db2.gz CFXRLCDBSPIQIL-LDYMZIIASA-N -1 1 307.337 3.609 20 0 DHADMM C[C@H]1[C@H](C(F)(F)F)CCCN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC001594173100 998664925 /nfs/dbraw/zinc/66/49/25/998664925.db2.gz KSWQJOBDOGGCNT-JOYOIKCWSA-N -1 1 319.298 3.687 20 0 DHADMM C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1csc(C(=O)[O-])c1 ZINC001594298890 999152517 /nfs/dbraw/zinc/15/25/17/999152517.db2.gz MYPGWPWFOVAKEF-SCZZXKLOSA-N -1 1 307.337 3.609 20 0 DHADMM C[C@H]1CC[C@@H](c2ccccc2)N(Cc2nc(C(=O)[O-])cs2)C1 ZINC001594330080 999268336 /nfs/dbraw/zinc/26/83/36/999268336.db2.gz IANXCRVQIUXAIQ-WFASDCNBSA-N -1 1 316.426 3.815 20 0 DHADMM CCc1ccc(C(=O)N2CCCCc3sccc32)c([O-])c1 ZINC000684782839 1016461011 /nfs/dbraw/zinc/46/10/11/1016461011.db2.gz LRBLXWUEVIIBSU-UHFFFAOYSA-N -1 1 301.411 3.999 20 0 DHADMM CSc1c(F)cccc1[N-]C(=O)c1snnc1C1CC1 ZINC000622905055 1016749381 /nfs/dbraw/zinc/74/93/81/1016749381.db2.gz RHUKRRLAHIQGQB-UHFFFAOYSA-N -1 1 309.391 3.529 20 0 DHADMM Cc1ncc(NC(=O)c2ccc3ccccc3c2[O-])c(C2CC2)n1 ZINC000684934936 1017025407 /nfs/dbraw/zinc/02/54/07/1017025407.db2.gz LHSCQCHSQHSGBS-UHFFFAOYSA-N -1 1 319.364 3.774 20 0 DHADMM Cc1ccc(C[C@@H](C)NC(=O)c2ccc(F)c([O-])c2)c(C)c1 ZINC001146457831 1032222380 /nfs/dbraw/zinc/22/23/80/1032222380.db2.gz AXHOOOGQIIAUTO-CYBMUJFWSA-N -1 1 301.361 3.509 20 0 DHADMM C[C@@]1(CCNC(=O)c2ccc3ccccc3c2[O-])CC1(F)F ZINC001147792811 1032341731 /nfs/dbraw/zinc/34/17/31/1032341731.db2.gz RSIWMWIFRHJSPL-MRXNPFEDSA-N -1 1 305.324 3.711 20 0 DHADMM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2ccc([O-])cn2)cc1 ZINC001147796591 1032342970 /nfs/dbraw/zinc/34/29/70/1032342970.db2.gz UHGUUXMPWJMYEY-RDTXWAMCSA-N -1 1 310.397 3.709 20 0 DHADMM Cc1ccc(F)c([N-]S(=O)(=O)c2cc(F)c(C)cc2F)c1 ZINC000121441247 1032446052 /nfs/dbraw/zinc/44/60/52/1032446052.db2.gz ISWPLLFVYYUACR-UHFFFAOYSA-N -1 1 315.316 3.522 20 0 DHADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2C(C)C)c1 ZINC000121759243 1032470590 /nfs/dbraw/zinc/47/05/90/1032470590.db2.gz ICVDVMLOXHEZCT-UHFFFAOYSA-N -1 1 312.369 3.726 20 0 DHADMM CCCCc1nc(CN2CCCC[C@@H]2CCC(=O)[O-])cs1 ZINC000424257844 1011953742 /nfs/dbraw/zinc/95/37/42/1011953742.db2.gz KWGIPOHFABSTJY-CQSZACIVSA-N -1 1 310.463 3.705 20 0 DHADMM C[C@H]1CCCN(Cc2cc(C(F)(F)F)ccc2F)[C@@H]1C(=O)[O-] ZINC000424423741 1012016176 /nfs/dbraw/zinc/01/61/76/1012016176.db2.gz VNVPKDBAKNXSBF-ZANVPECISA-N -1 1 319.298 3.530 20 0 DHADMM C[C@@H]1CCCN(Cc2cc(C(F)(F)F)ccc2F)[C@@H]1C(=O)[O-] ZINC000424423739 1012018936 /nfs/dbraw/zinc/01/89/36/1012018936.db2.gz VNVPKDBAKNXSBF-RNCFNFMXSA-N -1 1 319.298 3.530 20 0 DHADMM C[C@@H]1CCCN(Cc2ccc(-c3ccc(F)cc3)o2)[C@@H]1C(=O)[O-] ZINC000424411138 1012021360 /nfs/dbraw/zinc/02/13/60/1012021360.db2.gz AKCUUUUPSIWOLA-PXAZEXFGSA-N -1 1 317.360 3.771 20 0 DHADMM Cc1ccc2c(c1)SCCCN2C(=O)c1ccc([O-])c(F)c1 ZINC001625787982 1012205153 /nfs/dbraw/zinc/20/51/53/1012205153.db2.gz JQAHTVKFBCLGFU-UHFFFAOYSA-N -1 1 317.385 3.982 20 0 DHADMM CCc1c(NC(=O)c2ccc([O-])c(F)c2)cnn1CCC(C)C ZINC000683181804 1012276297 /nfs/dbraw/zinc/27/62/97/1012276297.db2.gz PSTQOELMCZNNIN-UHFFFAOYSA-N -1 1 319.380 3.589 20 0 DHADMM C[C@@H](c1ccccc1Cl)N(C(=O)c1cncc([O-])c1)C1CC1 ZINC000339813620 1012891041 /nfs/dbraw/zinc/89/10/41/1012891041.db2.gz JNXRERQEEYSGAM-NSHDSACASA-N -1 1 316.788 3.806 20 0 DHADMM C[C@@H]1[C@@H](C(F)(F)F)CCN1c1c(C(=O)[O-])cnc2ccccc21 ZINC000517153889 1012920692 /nfs/dbraw/zinc/92/06/92/1012920692.db2.gz KAQNETQKNSQTGN-SKDRFNHKSA-N -1 1 324.302 3.710 20 0 DHADMM CCCc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000007055780 1013036209 /nfs/dbraw/zinc/03/62/09/1013036209.db2.gz RZVZLHPBNNSGFL-UHFFFAOYSA-N -1 1 311.353 3.718 20 0 DHADMM [O-]c1ccc(-c2nc([C@H]3CCOC4(CCCC4)C3)no2)c(F)c1 ZINC000897186552 1017134371 /nfs/dbraw/zinc/13/43/71/1017134371.db2.gz BXTZREQQSIGNKV-NSHDSACASA-N -1 1 318.348 3.788 20 0 DHADMM CCCc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1 ZINC000319640466 1017207390 /nfs/dbraw/zinc/20/73/90/1017207390.db2.gz DRXVJEWJCLPUMO-UHFFFAOYSA-N -1 1 314.410 3.620 20 0 DHADMM CCOc1cc(-c2noc([C@]3(C)CCCO3)n2)cc(Cl)c1[O-] ZINC000350774615 1017326754 /nfs/dbraw/zinc/32/67/54/1017326754.db2.gz NMZCLARVFSQBLC-HNNXBMFYSA-N -1 1 324.764 3.520 20 0 DHADMM CCOc1cc(-c2noc([C@@H](C)OCC)n2)cc(Cl)c1[O-] ZINC000350797460 1017332035 /nfs/dbraw/zinc/33/20/35/1017332035.db2.gz XPHCPDADLYPMAC-MRVPVSSYSA-N -1 1 312.753 3.592 20 0 DHADMM C[C@H](Oc1cccnc1)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000350819081 1017336701 /nfs/dbraw/zinc/33/67/01/1017336701.db2.gz YPHXWYABJIQZKB-VIFPVBQESA-N -1 1 317.732 3.631 20 0 DHADMM [O-]c1ccc(-c2noc(-c3scnc3C3CC3)n2)cc1F ZINC000350825941 1017339182 /nfs/dbraw/zinc/33/91/82/1017339182.db2.gz VLRHWFSJHCSPQL-UHFFFAOYSA-N -1 1 303.318 3.582 20 0 DHADMM [O-]c1ccc(-c2noc(-c3scnc3C3CC3)n2)c(F)c1 ZINC000350836927 1017340248 /nfs/dbraw/zinc/34/02/48/1017340248.db2.gz HLUFTRCHVCVJDR-UHFFFAOYSA-N -1 1 303.318 3.582 20 0 DHADMM Cc1occ(C(F)(F)F)c1C(=O)[N-]c1nc(C(C)C)ns1 ZINC000874692467 1032704569 /nfs/dbraw/zinc/70/45/69/1032704569.db2.gz CPQKRHXVRPUWNF-UHFFFAOYSA-N -1 1 319.308 3.834 20 0 DHADMM O=C(c1ncccc1[O-])N1CCCC[C@H]1c1cccc(Cl)c1 ZINC000444656540 1017610688 /nfs/dbraw/zinc/61/06/88/1017610688.db2.gz GMWAQRINGYWWQK-AWEZNQCLSA-N -1 1 316.788 3.808 20 0 DHADMM CCc1ccc(CCc2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445472452 1017873067 /nfs/dbraw/zinc/87/30/67/1017873067.db2.gz KSNHPMGMRIDACN-UHFFFAOYSA-N -1 1 312.344 3.929 20 0 DHADMM Cc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)nn1C(C)(C)C ZINC000445477289 1017874920 /nfs/dbraw/zinc/87/49/20/1017874920.db2.gz BZAQZXUKCFOSPK-UHFFFAOYSA-N -1 1 316.336 3.508 20 0 DHADMM [O-]c1ccc(-c2noc(CCCOc3ccccc3)n2)cc1F ZINC000445476425 1017884297 /nfs/dbraw/zinc/88/42/97/1017884297.db2.gz CJZFNXWMHLVSAD-UHFFFAOYSA-N -1 1 314.316 3.593 20 0 DHADMM CSc1ccncc1[N-]C(=O)c1cc(-c2ccccc2)on1 ZINC000674258206 1017904918 /nfs/dbraw/zinc/90/49/18/1017904918.db2.gz GVJWZVOUAYQPHG-UHFFFAOYSA-N -1 1 311.366 3.711 20 0 DHADMM COCc1cccc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)c1 ZINC000171331185 1017925517 /nfs/dbraw/zinc/92/55/17/1017925517.db2.gz MZHBIHXSAVBTFR-UHFFFAOYSA-N -1 1 319.426 3.757 20 0 DHADMM Cc1cccc([C@@H]([N-]c2nnc(C(C)C)o2)c2ccccn2)c1 ZINC000583005482 1017944435 /nfs/dbraw/zinc/94/44/35/1017944435.db2.gz IFJLTHUYBFJFTI-MRXNPFEDSA-N -1 1 308.385 4.098 20 0 DHADMM CCOc1cc(-c2noc([C@H]3CCCCO3)n2)cc(Cl)c1[O-] ZINC000278032834 1017976863 /nfs/dbraw/zinc/97/68/63/1017976863.db2.gz XAMDJUBATJHBEA-LLVKDONJSA-N -1 1 324.764 3.736 20 0 DHADMM Cn1c2ccccc2c(Cl)c1C(=O)Nc1c([O-])cccc1F ZINC000092551417 1018346686 /nfs/dbraw/zinc/34/66/86/1018346686.db2.gz IDPQEXKHIRGXRR-UHFFFAOYSA-N -1 1 318.735 3.929 20 0 DHADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1cccc(O)c1 ZINC000383448244 1018404970 /nfs/dbraw/zinc/40/49/70/1018404970.db2.gz BIGZSEMXUDKNKQ-GFCCVEGCSA-N -1 1 307.349 3.742 20 0 DHADMM COc1ccccc1-c1ccc(C=C2SC(=O)[N-]C2=O)cc1 ZINC000874927190 1032761593 /nfs/dbraw/zinc/76/15/93/1032761593.db2.gz DPBZKPKERLFAQL-XNTDXEJSSA-N -1 1 311.362 3.686 20 0 DHADMM C[C@@H]1CCN(Cc2cccc(Cl)c2Cl)C[C@H]1C(=O)[O-] ZINC000583564178 1018561418 /nfs/dbraw/zinc/56/14/18/1018561418.db2.gz DIECKFSTKCGPGF-MWLCHTKSSA-N -1 1 302.201 3.536 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1c[nH]c(C(F)(F)F)c1 ZINC000343303087 1018574868 /nfs/dbraw/zinc/57/48/68/1018574868.db2.gz RTGSLDYJHAQQAM-UHFFFAOYSA-N -1 1 304.655 3.645 20 0 DHADMM Cc1cnc(C(=O)N2CCC[C@@H]2CCCc2ccccc2)c([O-])c1 ZINC000427768566 1018613387 /nfs/dbraw/zinc/61/33/87/1018613387.db2.gz RQZDISVRHDZKOG-KRWDZBQOSA-N -1 1 324.424 3.723 20 0 DHADMM Cc1nc(-c2ccccc2)ncc1C(=O)Nc1c([O-])cccc1F ZINC000676051423 1018650281 /nfs/dbraw/zinc/65/02/81/1018650281.db2.gz XOEZNNUKPYDUQC-UHFFFAOYSA-N -1 1 323.327 3.549 20 0 DHADMM Cc1ncc(C(=O)Nc2c([O-])cccc2F)c(Cl)c1Cl ZINC000676211949 1018685413 /nfs/dbraw/zinc/68/54/13/1018685413.db2.gz VHLRLCVWTORTMY-UHFFFAOYSA-N -1 1 315.131 3.794 20 0 DHADMM CCCc1nc(CSc2nc(CCC)cc(=O)[n-]2)cs1 ZINC000303952068 1018731041 /nfs/dbraw/zinc/73/10/41/1018731041.db2.gz VXSYTGUYYHJYKM-UHFFFAOYSA-N -1 1 309.460 3.836 20 0 DHADMM COc1ccc(F)cc1[C@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000765441702 1018792182 /nfs/dbraw/zinc/79/21/82/1018792182.db2.gz UWONUKZODILXAS-VIFPVBQESA-N -1 1 323.751 3.684 20 0 DHADMM O=C(NCCc1ccc(F)cc1)c1ccc2ccccc2c1[O-] ZINC000016640341 1018918504 /nfs/dbraw/zinc/91/85/04/1018918504.db2.gz MLBLEDYCWLZPIT-UHFFFAOYSA-N -1 1 309.340 3.657 20 0 DHADMM Cn1nc(C(F)(F)F)cc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214480428 1018954650 /nfs/dbraw/zinc/95/46/50/1018954650.db2.gz PYYIVCVQVAWEHO-UHFFFAOYSA-N -1 1 309.650 3.681 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])c1cnc(-c2ccccc2)s1 ZINC001171632812 1032798164 /nfs/dbraw/zinc/79/81/64/1032798164.db2.gz QLIWQVYFRQBDRJ-UHFFFAOYSA-N -1 1 314.341 3.907 20 0 DHADMM O=C([O-])CN(Cc1ccc(-c2ccccc2Cl)o1)CC1CC1 ZINC000650796906 1018966140 /nfs/dbraw/zinc/96/61/40/1018966140.db2.gz CHLBLAFASWOSSI-UHFFFAOYSA-N -1 1 319.788 3.897 20 0 DHADMM C[C@@H]1CN(Cc2csc(C3CCCCC3)n2)C[C@]1(C)C(=O)[O-] ZINC000584178253 1019005700 /nfs/dbraw/zinc/00/57/00/1019005700.db2.gz JJKUVPYQMNJTMG-PXAZEXFGSA-N -1 1 322.474 3.733 20 0 DHADMM O=C(c1ccc(Br)c([O-])c1)N1C2CCCC1CCC2 ZINC000677900173 1019019602 /nfs/dbraw/zinc/01/96/02/1019019602.db2.gz WUOCDVBAHWYZPO-UHFFFAOYSA-N -1 1 324.218 3.702 20 0 DHADMM COc1cc(CC(=O)Nc2ccc([O-])c(Cl)c2)ccc1C ZINC000111668109 1019048990 /nfs/dbraw/zinc/04/89/90/1019048990.db2.gz AEUNEQKYOJAHIP-UHFFFAOYSA-N -1 1 305.761 3.544 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCC(c2ccc(F)cc2)CC1 ZINC000082973423 1019241778 /nfs/dbraw/zinc/24/17/78/1019241778.db2.gz LNRMCLDYJSUFGN-UHFFFAOYSA-N -1 1 317.335 3.690 20 0 DHADMM O=C(NCCc1ccccc1Cl)c1ccc(Cl)cc1[O-] ZINC001626051282 1019287867 /nfs/dbraw/zinc/28/78/67/1019287867.db2.gz GYDBGEWEWUUAPZ-UHFFFAOYSA-N -1 1 310.180 3.672 20 0 DHADMM CCCCN(C(=O)c1cncc([O-])c1)[C@@H](C)c1ccc(C)o1 ZINC000600974831 1019385218 /nfs/dbraw/zinc/38/52/18/1019385218.db2.gz AHDZOXWDJJYGKM-ZDUSSCGKSA-N -1 1 302.374 3.692 20 0 DHADMM Cc1ccc(-c2noc(-c3ncccc3[O-])n2)cc1C(F)(F)F ZINC001212481087 1019416317 /nfs/dbraw/zinc/41/63/17/1019416317.db2.gz ZQWOKBVKXPZJPY-UHFFFAOYSA-N -1 1 321.258 3.831 20 0 DHADMM Cc1cc(-c2noc(-c3ncccc3[O-])n2)cc(C(F)(F)F)c1 ZINC001212480865 1019417357 /nfs/dbraw/zinc/41/73/57/1019417357.db2.gz NEACGTNEOLQMTL-UHFFFAOYSA-N -1 1 321.258 3.831 20 0 DHADMM C[C@@H](Cc1cncc2ccccc21)C(=O)Nc1c([O-])cccc1F ZINC000672901361 1019447033 /nfs/dbraw/zinc/44/70/33/1019447033.db2.gz PDSSUWSWDRWAJA-LBPRGKRZSA-N -1 1 324.355 3.897 20 0 DHADMM Cc1occ(C(F)(F)F)c1C(=O)Nc1cccc(F)c1[O-] ZINC001171638367 1032835975 /nfs/dbraw/zinc/83/59/75/1032835975.db2.gz WQORCFRVWNKQTC-UHFFFAOYSA-N -1 1 303.211 3.704 20 0 DHADMM CC(C)[C@H]1N(C(=O)c2cc(F)ccc2[O-])CC12CCCCC2 ZINC001626110523 1019702915 /nfs/dbraw/zinc/70/29/15/1019702915.db2.gz BPYLDSDEOHHRRM-MRXNPFEDSA-N -1 1 305.393 3.962 20 0 DHADMM O=C(NCc1cc2ccccc2o1)c1cc(Cl)ccc1[O-] ZINC000611890472 1019729721 /nfs/dbraw/zinc/72/97/21/1019729721.db2.gz ZFWZSSIIYKVNFD-UHFFFAOYSA-N -1 1 301.729 3.722 20 0 DHADMM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000673404062 1019882745 /nfs/dbraw/zinc/88/27/45/1019882745.db2.gz WQYZETOOWRBLLZ-INIZCTEOSA-N -1 1 317.360 3.763 20 0 DHADMM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000673474977 1019973779 /nfs/dbraw/zinc/97/37/79/1019973779.db2.gz XUKRUEUZVBIFCQ-UHFFFAOYSA-N -1 1 315.316 3.873 20 0 DHADMM Cc1ccc(CSc2nc(C)c(C3CC3)c(=O)[n-]2)c(C)n1 ZINC000631023633 1019977874 /nfs/dbraw/zinc/97/78/74/1019977874.db2.gz CLROCQJUIIXVQT-UHFFFAOYSA-N -1 1 301.415 3.672 20 0 DHADMM O=c1nc(N2CCC[C@H](c3ccccc3)CC2)cc(Cl)[n-]1 ZINC000858387892 1032872928 /nfs/dbraw/zinc/87/29/28/1032872928.db2.gz JMJWOHHYAMBVFX-ZDUSSCGKSA-N -1 1 303.793 3.610 20 0 DHADMM O=C(N[C@@H](c1ccccc1)C1CCCCC1)c1cncc([O-])c1 ZINC000731869232 1020167847 /nfs/dbraw/zinc/16/78/47/1020167847.db2.gz CSYGYMLPHVLCAW-SFHVURJKSA-N -1 1 310.397 3.839 20 0 DHADMM CCOc1cc(-c2noc(C34CC(C3)C4)n2)cc(Cl)c1[O-] ZINC000624574156 1020249655 /nfs/dbraw/zinc/24/96/55/1020249655.db2.gz AMLYKUNHKDYNFJ-UHFFFAOYSA-N -1 1 306.749 3.546 20 0 DHADMM O=C(Nc1nc(-c2ccco2)n[nH]1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000625202843 1020406739 /nfs/dbraw/zinc/40/67/39/1020406739.db2.gz AASQKVLWDTYKDY-ZIAGYGMSSA-N -1 1 322.368 3.587 20 0 DHADMM COc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1F ZINC000055619182 1020453621 /nfs/dbraw/zinc/45/36/21/1020453621.db2.gz LGEJPRBGDRBGCD-UHFFFAOYSA-N -1 1 323.389 3.759 20 0 DHADMM C#Cc1cccc(NC(=O)c2cc(Cl)c([O-])c(OCC)c2)c1 ZINC000186441639 1020482029 /nfs/dbraw/zinc/48/20/29/1020482029.db2.gz IZKINFIYIRXAAS-UHFFFAOYSA-N -1 1 315.756 3.678 20 0 DHADMM CC(=O)c1cc(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)n[n-]1 ZINC001212430097 1020511004 /nfs/dbraw/zinc/51/10/04/1020511004.db2.gz ZZKFGZMSYHTVSD-UHFFFAOYSA-N -1 1 323.139 3.636 20 0 DHADMM CC(=O)c1cc(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)[n-]n1 ZINC001212430097 1020511009 /nfs/dbraw/zinc/51/10/09/1020511009.db2.gz ZZKFGZMSYHTVSD-UHFFFAOYSA-N -1 1 323.139 3.636 20 0 DHADMM CC(=O)c1cc(-c2nc(-c3cc(Cl)ccc3Cl)no2)[nH]n1 ZINC001212430039 1020512072 /nfs/dbraw/zinc/51/20/72/1020512072.db2.gz WZMOXAJDZRRBOJ-UHFFFAOYSA-N -1 1 323.139 3.636 20 0 DHADMM CC(=O)c1cc(-c2nc(-c3cc(Cl)ccc3Cl)no2)n[n-]1 ZINC001212430039 1020512074 /nfs/dbraw/zinc/51/20/74/1020512074.db2.gz WZMOXAJDZRRBOJ-UHFFFAOYSA-N -1 1 323.139 3.636 20 0 DHADMM CC(=O)c1cc(-c2nc(-c3cc(Cl)ccc3Cl)no2)[n-]n1 ZINC001212430039 1020512077 /nfs/dbraw/zinc/51/20/77/1020512077.db2.gz WZMOXAJDZRRBOJ-UHFFFAOYSA-N -1 1 323.139 3.636 20 0 DHADMM Cc1cccc2sc(C(=O)Nc3ccncc3[O-])c(Cl)c21 ZINC000673936287 1020556821 /nfs/dbraw/zinc/55/68/21/1020556821.db2.gz WYJUMLJSPNIUTC-UHFFFAOYSA-N -1 1 318.785 3.638 20 0 DHADMM O=c1nc(N[C@@H]2CC[C@@H](Cc3ccccc3)C2)cc(Cl)[n-]1 ZINC000858505130 1032925533 /nfs/dbraw/zinc/92/55/33/1032925533.db2.gz FVEIROXXKNMKFT-QWHCGFSZSA-N -1 1 303.793 3.659 20 0 DHADMM Cc1oc(-c2cccs2)nc1C(=O)Nc1c([O-])cccc1F ZINC000735925146 1020780252 /nfs/dbraw/zinc/78/02/52/1020780252.db2.gz OCLYPNASQAENNH-UHFFFAOYSA-N -1 1 318.329 3.809 20 0 DHADMM Cc1ccc(C[C@H](C)NC(=O)c2c([O-])cccc2Cl)s1 ZINC000738545493 1020877356 /nfs/dbraw/zinc/87/73/56/1020877356.db2.gz GPYUNENNOTYSKN-VIFPVBQESA-N -1 1 309.818 3.777 20 0 DHADMM CC(C)(C)CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000740924045 1020964563 /nfs/dbraw/zinc/96/45/63/1020964563.db2.gz VKUNQGPNLAZHHR-UHFFFAOYSA-N -1 1 322.405 3.515 20 0 DHADMM Cc1nc(COC(=O)c2ccc(Cl)c(Cl)c2[O-])cs1 ZINC000740959604 1020968402 /nfs/dbraw/zinc/96/84/02/1020968402.db2.gz GHRYIQVTZVTCSC-UHFFFAOYSA-N -1 1 318.181 3.821 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2)c(Cl)c1 ZINC000066607668 1020970208 /nfs/dbraw/zinc/97/02/08/1020970208.db2.gz XMVQKJVFFONKCY-UHFFFAOYSA-N -1 1 324.833 3.515 20 0 DHADMM CC[C@@H](C)c1ccccc1OS(=O)(=O)c1cnc(C(C)C)[n-]1 ZINC000741157632 1020985598 /nfs/dbraw/zinc/98/55/98/1020985598.db2.gz JMGXPFWSPQSPEI-GFCCVEGCSA-N -1 1 322.430 3.814 20 0 DHADMM CC[C@@H](C)c1ccccc1OS(=O)(=O)c1c[n-]c(C(C)C)n1 ZINC000741157632 1020985606 /nfs/dbraw/zinc/98/56/06/1020985606.db2.gz JMGXPFWSPQSPEI-GFCCVEGCSA-N -1 1 322.430 3.814 20 0 DHADMM Cc1cccc([C@H](C)CNC(=O)c2c([O-])cccc2Cl)c1 ZINC000741297094 1020996057 /nfs/dbraw/zinc/99/60/57/1020996057.db2.gz LQZQPIADBDAHAQ-GFCCVEGCSA-N -1 1 303.789 3.888 20 0 DHADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)cc(F)c2)c1 ZINC000175112486 1021020535 /nfs/dbraw/zinc/02/05/35/1021020535.db2.gz NQCUBYCXOBPLNC-UHFFFAOYSA-N -1 1 321.373 3.528 20 0 DHADMM [O-]c1c(Cl)cc(CN2CCC[C@@]3(CCOC3)C2)cc1Cl ZINC001140835246 1021124378 /nfs/dbraw/zinc/12/43/78/1021124378.db2.gz QULJBFCRCMWUBS-OAHLLOKOSA-N -1 1 316.228 3.702 20 0 DHADMM CN(C[C@@H]1CC1(C)C)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000621046343 1021237830 /nfs/dbraw/zinc/23/78/30/1021237830.db2.gz ZGQWLVNDNKKXNH-JTQLQIEISA-N -1 1 301.308 3.529 20 0 DHADMM C[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000605593679 1021275038 /nfs/dbraw/zinc/27/50/38/1021275038.db2.gz ZAJKHFMETZAZJB-VIFPVBQESA-N -1 1 323.380 3.597 20 0 DHADMM CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)c1ncccc1C)C(F)(F)F ZINC000278806453 1021252924 /nfs/dbraw/zinc/25/29/24/1021252924.db2.gz OANUMHCLVCZECW-KWQFWETISA-N -1 1 324.293 3.575 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)c(Cl)c1 ZINC000025365708 1021274192 /nfs/dbraw/zinc/27/41/92/1021274192.db2.gz KGTXTDIUWXGJFR-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM Nc1cc(Nc2ccc(F)c(Br)c2[O-])ccc1F ZINC001212345440 1021288354 /nfs/dbraw/zinc/28/83/54/1021288354.db2.gz RAEJZXKBJSQHDE-UHFFFAOYSA-N -1 1 315.117 3.759 20 0 DHADMM CCN(CC1CCC1)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000338927639 1021373146 /nfs/dbraw/zinc/37/31/46/1021373146.db2.gz HIBYDPRXBFAVQK-UHFFFAOYSA-N -1 1 318.804 3.856 20 0 DHADMM CCc1nc(SCc2coc(C(C)(C)C)n2)[n-]c(=O)c1C ZINC000917841707 1021374247 /nfs/dbraw/zinc/37/42/47/1021374247.db2.gz AKWXHYJHBZIXTE-UHFFFAOYSA-N -1 1 307.419 3.631 20 0 DHADMM C[C@H]1CC[N@@H+](Cc2c(Cl)cccc2Cl)[C@H](C(=O)[O-])C1 ZINC000129413507 1021484390 /nfs/dbraw/zinc/48/43/90/1021484390.db2.gz FWIGFDHHQHWZFV-ZANVPECISA-N -1 1 302.201 3.679 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000744388510 1021526649 /nfs/dbraw/zinc/52/66/49/1021526649.db2.gz SFNKWTUBMRJZGB-MPEURRAXSA-N -1 1 305.805 3.696 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(C)c(C)c2)c1 ZINC000744493245 1021567943 /nfs/dbraw/zinc/56/79/43/1021567943.db2.gz IOYHPFDBDYHSDP-UHFFFAOYSA-N -1 1 312.365 3.611 20 0 DHADMM C[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C[C@H](C)S1 ZINC000070387759 1021604145 /nfs/dbraw/zinc/60/41/45/1021604145.db2.gz YMPYBPVGFPWAQA-RYUDHWBXSA-N -1 1 301.411 3.511 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C=C2CCC(C)CC2)c1 ZINC000745037990 1021639235 /nfs/dbraw/zinc/63/92/35/1021639235.db2.gz LKUNWOWEDZYGND-UHFFFAOYSA-N -1 1 316.397 3.817 20 0 DHADMM Cc1ccc2c(c1)OCCN2C(=O)c1ccc2ccccc2c1[O-] ZINC000154824373 1021660179 /nfs/dbraw/zinc/66/01/79/1021660179.db2.gz GQNNDQBZJKRDRQ-UHFFFAOYSA-N -1 1 319.360 3.893 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c(C)s1 ZINC000182493135 1021687695 /nfs/dbraw/zinc/68/76/95/1021687695.db2.gz HWNRWSKKPWQBSK-UHFFFAOYSA-N -1 1 317.819 3.525 20 0 DHADMM Cc1ccccc1CC1CN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000085652353 1021944510 /nfs/dbraw/zinc/94/45/10/1021944510.db2.gz ZKNBXFCMBBRSJC-UHFFFAOYSA-N -1 1 315.800 3.669 20 0 DHADMM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000263336247 1022048986 /nfs/dbraw/zinc/04/89/86/1022048986.db2.gz MNNIOVXQOKGHDR-KOLCDFICSA-N -1 1 302.201 3.536 20 0 DHADMM CC1([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCCC1 ZINC000620148051 1022052816 /nfs/dbraw/zinc/05/28/16/1022052816.db2.gz GBIJJKOBOKLNIP-UHFFFAOYSA-N -1 1 314.259 3.666 20 0 DHADMM CC(C)(C)C[C@H](NCc1ccc(CSC(F)F)o1)C(=O)[O-] ZINC000756362255 1022088298 /nfs/dbraw/zinc/08/82/98/1022088298.db2.gz ORPGJJOLCSCUCM-NSHDSACASA-N -1 1 321.389 3.714 20 0 DHADMM O=C(NCc1cc2c(s1)CCCC2)c1c([O-])cccc1Cl ZINC000920454725 1022122650 /nfs/dbraw/zinc/12/26/50/1022122650.db2.gz XPYQMMWBMOIPFI-UHFFFAOYSA-N -1 1 321.829 3.916 20 0 DHADMM Cc1ccccc1C[C@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000920455455 1022123495 /nfs/dbraw/zinc/12/34/95/1022123495.db2.gz GDAWWLWUSVTXPF-LBPRGKRZSA-N -1 1 303.789 3.715 20 0 DHADMM O=C(NCc1ccc([O-])c(Cl)c1)N1CCCC2(CC2)CC1 ZINC000876398057 1033037636 /nfs/dbraw/zinc/03/76/36/1033037636.db2.gz CQOQEBRJQAQDJQ-UHFFFAOYSA-N -1 1 308.809 3.521 20 0 DHADMM CCCc1cc(C(=O)[N-]c2c(F)cc(Cl)cc2F)no1 ZINC001127556771 1022280819 /nfs/dbraw/zinc/28/08/19/1022280819.db2.gz BMMSVMYZGKTNFI-UHFFFAOYSA-N -1 1 300.692 3.811 20 0 DHADMM CC(C)(C)c1ccc(O)c(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000538386982 1033046022 /nfs/dbraw/zinc/04/60/22/1033046022.db2.gz IGJNXQBXGLFAHQ-UHFFFAOYSA-N -1 1 321.323 3.926 20 0 DHADMM O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccc([O-])cc1F ZINC000154794457 1022335360 /nfs/dbraw/zinc/33/53/60/1022335360.db2.gz NLJQRRVXJZZOQB-CQSZACIVSA-N -1 1 321.348 3.637 20 0 DHADMM Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC001625896387 1022612873 /nfs/dbraw/zinc/61/28/73/1022612873.db2.gz KSOBGMWPWGVXSG-NWDGAFQWSA-N -1 1 303.308 3.721 20 0 DHADMM CC[C@H]1CO[C@H](C)CN1Cc1c2ccccc2sc1C(=O)[O-] ZINC000315352197 1022632736 /nfs/dbraw/zinc/63/27/36/1022632736.db2.gz PTQOVGABMOBKQP-NEPJUHHUSA-N -1 1 319.426 3.599 20 0 DHADMM CCc1nc(SCC(=O)CCC2CCCC2)[n-]c(=O)c1C ZINC000584793270 1022747273 /nfs/dbraw/zinc/74/72/73/1022747273.db2.gz RODDAIOVWWQXFI-UHFFFAOYSA-N -1 1 308.447 3.685 20 0 DHADMM C[C@@H](C#N)Oc1ccccc1NCc1cccc(Cl)c1[O-] ZINC000180834852 1022857660 /nfs/dbraw/zinc/85/76/60/1022857660.db2.gz OWKYIVQNKPQRGV-NSHDSACASA-N -1 1 302.761 3.949 20 0 DHADMM O=C([N-]c1c(F)cc(Cl)cc1F)c1ccnc(F)c1F ZINC000191387822 1022961738 /nfs/dbraw/zinc/96/17/38/1022961738.db2.gz RRFGLCCVUWEQCQ-UHFFFAOYSA-N -1 1 304.630 3.544 20 0 DHADMM CCc1cc(=O)[n-]c(SCCCc2c(F)cccc2F)n1 ZINC000655500319 1022986617 /nfs/dbraw/zinc/98/66/17/1022986617.db2.gz QQJASQYTZRZXDI-UHFFFAOYSA-N -1 1 310.369 3.748 20 0 DHADMM O=C(N[C@@H]1CCCc2sccc21)c1c([O-])cccc1Cl ZINC000768590553 1022998020 /nfs/dbraw/zinc/99/80/20/1022998020.db2.gz JHHRQLQJYIVTPY-LLVKDONJSA-N -1 1 307.802 3.915 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N1CCS[C@H]2CCCC[C@@H]21 ZINC000769962876 1023247253 /nfs/dbraw/zinc/24/72/53/1023247253.db2.gz VQNIDMSQUVFLGI-AAEUAGOBSA-N -1 1 311.834 3.546 20 0 DHADMM O=C(N[C@@H](C1CCCC1)C(F)(F)F)c1c([O-])cccc1Cl ZINC000769966008 1023247494 /nfs/dbraw/zinc/24/74/94/1023247494.db2.gz LHILGORJOLAGRU-LBPRGKRZSA-N -1 1 321.726 3.897 20 0 DHADMM Cc1c2cc(Cl)ccc2oc1C(=O)Nc1ccncc1[O-] ZINC000109890882 1023253644 /nfs/dbraw/zinc/25/36/44/1023253644.db2.gz QZKAEZOQQUYILH-UHFFFAOYSA-N -1 1 302.717 3.748 20 0 DHADMM Cc1cncc(COC(=O)c2ccc(Cl)c(Cl)c2[O-])c1 ZINC000785673280 1023608234 /nfs/dbraw/zinc/60/82/34/1023608234.db2.gz NBOVUZFIYRRKPM-UHFFFAOYSA-N -1 1 312.152 3.759 20 0 DHADMM Cc1cc(N2CCC[C@@H](CCC(=O)[O-])C2)c2cc(F)ccc2n1 ZINC000662887757 1023643591 /nfs/dbraw/zinc/64/35/91/1023643591.db2.gz PZBXWOOZUJBOFT-ZDUSSCGKSA-N -1 1 316.376 3.764 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cc1Cl ZINC000048653746 1023802207 /nfs/dbraw/zinc/80/22/07/1023802207.db2.gz DXYJNSXMZIGRBF-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000048653733 1023803176 /nfs/dbraw/zinc/80/31/76/1023803176.db2.gz YMCTZZJJCPNUQR-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM Cc1ccc2nc(-c3ccccc3Br)[n-]c(=O)c2c1 ZINC000059071102 1023926029 /nfs/dbraw/zinc/92/60/29/1023926029.db2.gz RBXZFBGDVPROFL-UHFFFAOYSA-N -1 1 315.170 3.661 20 0 DHADMM C[C@H]1CN(Cc2cccc(Cl)c2Cl)CC[C@@H]1C(=O)[O-] ZINC000302560968 1023976778 /nfs/dbraw/zinc/97/67/78/1023976778.db2.gz YHAHKQMTASJVTP-ONGXEEELSA-N -1 1 302.201 3.536 20 0 DHADMM Cc1cnc(SC[C@@H]2CCC[C@@H](c3ccccc3)O2)[n-]c1=O ZINC000882173626 1023983902 /nfs/dbraw/zinc/98/39/02/1023983902.db2.gz LFHXFVPWGACWNK-GJZGRUSLSA-N -1 1 316.426 3.893 20 0 DHADMM CCc1nc(CNCc2cccc(C(C)C)c2)ccc1C(=O)[O-] ZINC000663260016 1023985590 /nfs/dbraw/zinc/98/55/90/1023985590.db2.gz MGQBLGYZWUCRAX-UHFFFAOYSA-N -1 1 312.413 3.755 20 0 DHADMM Cc1nc(S[C@@H](C)c2ccc(F)nc2)[n-]c(=O)c1C1CC1 ZINC000882278225 1024013278 /nfs/dbraw/zinc/01/32/78/1024013278.db2.gz WGWUIGMPYFIDAS-VIFPVBQESA-N -1 1 305.378 3.755 20 0 DHADMM Cc1nc(SC[C@H]2CCCC(C)(C)O2)[n-]c(=O)c1C1CC1 ZINC000882277316 1024013486 /nfs/dbraw/zinc/01/34/86/1024013486.db2.gz FINJDJLKWYYGOG-GFCCVEGCSA-N -1 1 308.447 3.808 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])c1c[nH]c2cc(Cl)ccc12 ZINC000790046804 1024205739 /nfs/dbraw/zinc/20/57/39/1024205739.db2.gz NAPGWBCJSLMDTQ-UHFFFAOYSA-N -1 1 322.151 3.828 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000790052447 1024212723 /nfs/dbraw/zinc/21/27/23/1024212723.db2.gz VTMOJEOZPXNORV-SFYZADRCSA-N -1 1 322.714 3.748 20 0 DHADMM COc1ccc(C(=O)Nc2nc(Cl)ccc2[O-])cc1C1CC1 ZINC000790047037 1024213615 /nfs/dbraw/zinc/21/36/15/1024213615.db2.gz AMINOWUQMBYPDR-UHFFFAOYSA-N -1 1 318.760 3.579 20 0 DHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N(CC1CC1)C1CCC1 ZINC001626112507 1024309070 /nfs/dbraw/zinc/30/90/70/1024309070.db2.gz XZILKWYAKHEKSX-UHFFFAOYSA-N -1 1 313.319 3.816 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000270409612 1024385229 /nfs/dbraw/zinc/38/52/29/1024385229.db2.gz XSOAQXRIIHNTCX-NXEZZACHSA-N -1 1 305.271 3.839 20 0 DHADMM CC1(c2cc([N-]C(=O)c3nc(Cl)cs3)no2)CCCC1 ZINC000790994190 1024413501 /nfs/dbraw/zinc/41/35/01/1024413501.db2.gz UCFVGWVRWBLUDZ-UHFFFAOYSA-N -1 1 311.794 3.869 20 0 DHADMM CSc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000007745997 1024439550 /nfs/dbraw/zinc/43/95/50/1024439550.db2.gz BQMYWYIKUDNHDZ-UHFFFAOYSA-N -1 1 307.440 3.826 20 0 DHADMM C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000317173773 1024488764 /nfs/dbraw/zinc/48/87/64/1024488764.db2.gz IOSNCDITCKBESO-CQSZACIVSA-N -1 1 319.298 3.531 20 0 DHADMM C[C@@]1(C(=O)[O-])CCCN(Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000317173773 1024488778 /nfs/dbraw/zinc/48/87/78/1024488778.db2.gz IOSNCDITCKBESO-CQSZACIVSA-N -1 1 319.298 3.531 20 0 DHADMM O=C(c1ccc(Br)c([O-])c1)N1CCCCCCC1 ZINC000132841035 1024512657 /nfs/dbraw/zinc/51/26/57/1024512657.db2.gz QBHZTNXEIOLOPB-UHFFFAOYSA-N -1 1 312.207 3.561 20 0 DHADMM Cc1c(Cl)cc(F)c([N-]C(=O)c2ccnc(F)c2F)c1F ZINC000791676435 1024542181 /nfs/dbraw/zinc/54/21/81/1024542181.db2.gz MSJWAZHACNMUDF-UHFFFAOYSA-N -1 1 318.657 3.852 20 0 DHADMM COc1ccc(CCCC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000532267183 1024592698 /nfs/dbraw/zinc/59/26/98/1024592698.db2.gz IIWGYDVCKAGRIU-UHFFFAOYSA-N -1 1 303.333 3.501 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cc(O)c2ccccc2c1 ZINC000792473778 1024673159 /nfs/dbraw/zinc/67/31/59/1024673159.db2.gz FENTXJOBXMOZKB-UHFFFAOYSA-N -1 1 314.728 3.552 20 0 DHADMM C[C@@H](Oc1cnnc(=S)[n-]1)c1ccc(Cl)c(Cl)c1 ZINC001228642526 1024701780 /nfs/dbraw/zinc/70/17/80/1024701780.db2.gz QEOAZDSZPITUBD-ZCFIWIBFSA-N -1 1 302.186 3.607 20 0 DHADMM O=C(CSCc1ccc(F)cc1)Nc1c([O-])cccc1F ZINC000610339747 1024773331 /nfs/dbraw/zinc/77/33/31/1024773331.db2.gz JKUHWDNSOZBQLP-UHFFFAOYSA-N -1 1 309.337 3.542 20 0 DHADMM [O-]c1ccc(F)cc1-c1nc([C@H]2CCc3ccccc3C2)no1 ZINC000322845881 1024802321 /nfs/dbraw/zinc/80/23/21/1024802321.db2.gz MSIDACBJGZSZAI-ZDUSSCGKSA-N -1 1 310.328 3.854 20 0 DHADMM O=S(=O)([N-]c1cccc2ncccc12)c1ccc(Cl)cc1 ZINC000103397978 1025028315 /nfs/dbraw/zinc/02/83/15/1025028315.db2.gz CIPQAVAGLLPMCP-UHFFFAOYSA-N -1 1 318.785 3.689 20 0 DHADMM O=C(Nc1ccc(Cl)cc1[O-])C(F)(F)Cc1ccccc1 ZINC000793737243 1025160425 /nfs/dbraw/zinc/16/04/25/1025160425.db2.gz XMSYCEFCYPMNNT-UHFFFAOYSA-N -1 1 311.715 3.862 20 0 DHADMM Cc1nc(C(=O)OC(C)C)ccc1-c1ccc(Cl)c([O-])c1 ZINC001243582495 1025178597 /nfs/dbraw/zinc/17/85/97/1025178597.db2.gz UDYVTSXCDGTWLI-UHFFFAOYSA-N -1 1 305.761 3.981 20 0 DHADMM O=C(Nc1cc(C2CC2)ccn1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000794107297 1025219107 /nfs/dbraw/zinc/21/91/07/1025219107.db2.gz GHEGJBGUNJZATM-UHFFFAOYSA-N -1 1 322.286 3.936 20 0 DHADMM C[C@@]1(Cc2cccs2)CCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000885256923 1025301372 /nfs/dbraw/zinc/30/13/72/1025301372.db2.gz NPHFHMBTVNNXBU-KRWDZBQOSA-N -1 1 319.401 3.830 20 0 DHADMM Cc1cccc2nc(-c3cccc(C(F)(F)F)n3)[n-]c(=O)c12 ZINC000342709783 1025309669 /nfs/dbraw/zinc/30/96/69/1025309669.db2.gz ZWDLWNMUUXCGOM-UHFFFAOYSA-N -1 1 305.259 3.725 20 0 DHADMM COc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)c(C)c1OC ZINC000804466718 1025314974 /nfs/dbraw/zinc/31/49/74/1025314974.db2.gz JLWLFKXZLPVSEU-UHFFFAOYSA-N -1 1 321.760 3.624 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)C1=NO[C@H](c2ccccc2)C1 ZINC000135906736 1025324006 /nfs/dbraw/zinc/32/40/06/1025324006.db2.gz PGDIPXAUOPFPJP-HNNXBMFYSA-N -1 1 316.744 3.502 20 0 DHADMM CC(C)CCSCC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885673984 1025377651 /nfs/dbraw/zinc/37/76/51/1025377651.db2.gz BLXQBZKIIPRGFN-UHFFFAOYSA-N -1 1 305.802 3.903 20 0 DHADMM C[C@@H]1CCC[C@H](OCC(=O)Nc2cc(F)c([O-])cc2Cl)C1 ZINC000885676521 1025378726 /nfs/dbraw/zinc/37/87/26/1025378726.db2.gz PSTUKFNXJIDWHZ-ZJUUUORDSA-N -1 1 315.772 3.719 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@H]1CCCC(F)(F)C1 ZINC000885678034 1025380609 /nfs/dbraw/zinc/38/06/09/1025380609.db2.gz HCHATJFUTKPQQT-ZETCQYMHSA-N -1 1 307.699 3.949 20 0 DHADMM CC(C)[C@@H]1C[C@@H](C(=O)Nc2cc(F)c([O-])cc2Cl)CCO1 ZINC000885682206 1025381891 /nfs/dbraw/zinc/38/18/91/1025381891.db2.gz LETWROGZSWYLDG-XPTSAGLGSA-N -1 1 315.772 3.574 20 0 DHADMM CC(C)[C@@H]1C[C@H](C(=O)Nc2cc(F)c([O-])cc2Cl)CCO1 ZINC000885682205 1025382405 /nfs/dbraw/zinc/38/24/05/1025382405.db2.gz LETWROGZSWYLDG-OTYXRUKQSA-N -1 1 315.772 3.574 20 0 DHADMM COc1ccc(-c2nc([C@H]3CCc4ccccc4C3)no2)c([O-])c1 ZINC000325786795 1025391428 /nfs/dbraw/zinc/39/14/28/1025391428.db2.gz VWHBLCYGFLUKKV-AWEZNQCLSA-N -1 1 322.364 3.723 20 0 DHADMM Cc1cc(OS(=O)(=O)c2cnc(C(C)C)[n-]2)ccc1C(C)C ZINC000747229738 1025541137 /nfs/dbraw/zinc/54/11/37/1025541137.db2.gz VXXHTTULMVUXIX-UHFFFAOYSA-N -1 1 322.430 3.733 20 0 DHADMM Cc1cc(OS(=O)(=O)c2c[n-]c(C(C)C)n2)ccc1C(C)C ZINC000747229738 1025541156 /nfs/dbraw/zinc/54/11/56/1025541156.db2.gz VXXHTTULMVUXIX-UHFFFAOYSA-N -1 1 322.430 3.733 20 0 DHADMM O=C(Nc1cc(Cl)c([O-])cc1F)c1ccc(O)c(Cl)c1 ZINC000805255379 1025565845 /nfs/dbraw/zinc/56/58/45/1025565845.db2.gz PJFFBZZIJMYGKI-UHFFFAOYSA-N -1 1 316.115 3.796 20 0 DHADMM O=c1c2c([n-]n1Cc1cccc(C(F)(F)F)c1)CCCCC2 ZINC000614186553 1025834757 /nfs/dbraw/zinc/83/47/57/1025834757.db2.gz BVTHSDZQIDYSKA-ZDUSSCGKSA-N -1 1 310.319 3.984 20 0 DHADMM Cc1nocc1[N-]C(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC001130575043 1025849373 /nfs/dbraw/zinc/84/93/73/1025849373.db2.gz GETAOLHBVVWWQV-UHFFFAOYSA-N -1 1 316.288 3.546 20 0 DHADMM C[C@H](Sc1ccccn1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000135904660 1025854766 /nfs/dbraw/zinc/85/47/66/1025854766.db2.gz YSYNZGJLAFOMGH-VIFPVBQESA-N -1 1 308.790 3.560 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)s1 ZINC000105389742 1025921505 /nfs/dbraw/zinc/92/15/05/1025921505.db2.gz DNGAUYAKNPPZIK-UHFFFAOYSA-N -1 1 321.345 3.529 20 0 DHADMM CCOC(=O)c1csc(/C=C\c2ccc([O-])c(Cl)c2)n1 ZINC000806562035 1025924284 /nfs/dbraw/zinc/92/42/84/1025924284.db2.gz BIOVHDPZGJYODR-XQRVVYSFSA-N -1 1 309.774 3.849 20 0 DHADMM Cc1nc(CC2CC2)sc1C(=O)Nc1ccc(F)cc1[O-] ZINC000356402218 1026037659 /nfs/dbraw/zinc/03/76/59/1026037659.db2.gz XOSRVNDTBNGAMA-UHFFFAOYSA-N -1 1 306.362 3.501 20 0 DHADMM COCc1cccc(CSc2nc(C(F)F)cc(=O)[n-]2)c1 ZINC000289680430 1026127461 /nfs/dbraw/zinc/12/74/61/1026127461.db2.gz ZLLOGIIVTAWVNE-UHFFFAOYSA-N -1 1 312.341 3.559 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@H](C(F)(F)F)C1 ZINC000319539186 1026285452 /nfs/dbraw/zinc/28/54/52/1026285452.db2.gz NHPIPOZUVOJKKN-GFCCVEGCSA-N -1 1 309.287 3.570 20 0 DHADMM O=C([N-]C1(C(F)F)CCCC1)C(F)(F)c1ccc(F)cc1 ZINC000809371615 1026521607 /nfs/dbraw/zinc/52/16/07/1026521607.db2.gz JLQKFWRUBKAJKR-UHFFFAOYSA-N -1 1 307.262 3.612 20 0 DHADMM Cc1ccc(OCCSc2nc(C(F)F)cc(=O)[n-]2)cc1 ZINC000809985318 1026654017 /nfs/dbraw/zinc/65/40/17/1026654017.db2.gz JXSRQVXGVUPNBO-UHFFFAOYSA-N -1 1 312.341 3.599 20 0 DHADMM O=c1cc(C(F)F)nc(S[C@H]2CCc3ccccc3C2)[n-]1 ZINC000809986164 1026656784 /nfs/dbraw/zinc/65/67/84/1026656784.db2.gz AZOKWGWOAQVIJE-NSHDSACASA-N -1 1 308.353 3.769 20 0 DHADMM Cc1cc(-c2cnc(OC(F)(F)F)cn2)cc(Cl)c1[O-] ZINC001244538063 1026761859 /nfs/dbraw/zinc/76/18/59/1026761859.db2.gz JIUQPFOINOHKGI-UHFFFAOYSA-N -1 1 304.655 3.710 20 0 DHADMM CCOC(=O)c1cnc(C(C)=Cc2cccc(C3CC3)c2)[n-]c1=O ZINC000421124838 1026937273 /nfs/dbraw/zinc/93/72/73/1026937273.db2.gz GJVLROOQOBGLGP-XFXZXTDPSA-N -1 1 324.380 3.797 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000421798976 1027052909 /nfs/dbraw/zinc/05/29/09/1027052909.db2.gz CSVRAMSDERSBGD-AXFHLTTASA-N -1 1 324.218 3.838 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000421798977 1027053389 /nfs/dbraw/zinc/05/33/89/1027053389.db2.gz CSVRAMSDERSBGD-GMTAPVOTSA-N -1 1 324.218 3.838 20 0 DHADMM CC(C)(C)c1cc(CSc2nc(C(F)F)cc(=O)[n-]2)no1 ZINC000295441448 1027278067 /nfs/dbraw/zinc/27/80/67/1027278067.db2.gz VQWRVZXIOUABIF-UHFFFAOYSA-N -1 1 315.345 3.698 20 0 DHADMM C[C@H](C(=O)[N-]OC1CCC1)c1cccc(C(=O)c2ccccc2)c1 ZINC000812794809 1027421616 /nfs/dbraw/zinc/42/16/16/1027421616.db2.gz QEIALKPFFHQONE-AWEZNQCLSA-N -1 1 323.392 3.621 20 0 DHADMM C[C@@H]1C[C@H](c2ccccc2F)N(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000576405178 1027612085 /nfs/dbraw/zinc/61/20/85/1027612085.db2.gz FYWMPMGDPKGUQG-SJKOYZFVSA-N -1 1 314.360 3.502 20 0 DHADMM CCOc1cc(-c2noc([C@@H]3CC3(F)F)n2)cc(Cl)c1[O-] ZINC000296697024 1027709441 /nfs/dbraw/zinc/70/94/41/1027709441.db2.gz HMURCUGPUMHDQE-ZETCQYMHSA-N -1 1 316.691 3.617 20 0 DHADMM CC(C)=CCC[C@H](C)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000296992338 1027772285 /nfs/dbraw/zinc/77/22/85/1027772285.db2.gz RWSVUHZNLAGHOI-LBPRGKRZSA-N -1 1 319.449 3.653 20 0 DHADMM CCc1nc(SCCO[C@@H]2CCCC[C@@H]2C)[n-]c(=O)c1C ZINC000578523996 1028173016 /nfs/dbraw/zinc/17/30/16/1028173016.db2.gz YACBGNTYWUVTFG-SMDDNHRTSA-N -1 1 310.463 3.740 20 0 DHADMM CCOc1cc(-c2nc([C@@H]3CC[C@@H](C)O3)no2)cc(Cl)c1[O-] ZINC000528234370 1028202761 /nfs/dbraw/zinc/20/27/61/1028202761.db2.gz KEVAQXCBVZRHRK-KCJUWKMLSA-N -1 1 324.764 3.734 20 0 DHADMM CN(Cc1occc1C(=O)[O-])Cc1ccccc1C(F)(F)F ZINC000565601388 1028608374 /nfs/dbraw/zinc/60/83/74/1028608374.db2.gz XAJCUHRSZFXZRJ-UHFFFAOYSA-N -1 1 313.275 3.629 20 0 DHADMM COC(=O)c1c[n-]c(S[C@@H](C)c2c(C)cc(C)cc2C)n1 ZINC000566833577 1028790255 /nfs/dbraw/zinc/79/02/55/1028790255.db2.gz WASYFNDDOIJEAF-LBPRGKRZSA-N -1 1 304.415 3.975 20 0 DHADMM O=C(c1c(F)ccc([O-])c1F)N1CCc2cc(Cl)ccc2C1 ZINC000566883181 1028797024 /nfs/dbraw/zinc/79/70/24/1028797024.db2.gz OAQPDEYMDGUHGT-UHFFFAOYSA-N -1 1 323.726 3.522 20 0 DHADMM CCOc1cc(C(=O)N[C@@H](C2CC2)C2CCC2)cc(Cl)c1[O-] ZINC000568963432 1029155628 /nfs/dbraw/zinc/15/56/28/1029155628.db2.gz HJSALQBEULPEAV-OAHLLOKOSA-N -1 1 323.820 3.753 20 0 DHADMM CC(C)CCO[C@H]1CC[C@H](NC(=O)c2ccc([O-])cc2F)CC1 ZINC000628837556 1029161641 /nfs/dbraw/zinc/16/16/41/1029161641.db2.gz BPPLMJNBUDRTFE-CTYIDZIISA-N -1 1 323.408 3.635 20 0 DHADMM CCc1cc(=O)[n-]c(SCc2ccccc2OC2CC2)n1 ZINC000629176607 1029265094 /nfs/dbraw/zinc/26/50/94/1029265094.db2.gz ZUACQCRKFWPLOQ-UHFFFAOYSA-N -1 1 302.399 3.578 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)C1CCc2ccccc2CC1 ZINC000529465209 1029312030 /nfs/dbraw/zinc/31/20/30/1029312030.db2.gz JIHZQAKPCCAUHP-UHFFFAOYSA-N -1 1 317.335 3.804 20 0 DHADMM Cn1cc(Cc2nc(-c3ccc([O-])c(F)c3)no2)c2ccccc21 ZINC000570511613 1029376248 /nfs/dbraw/zinc/37/62/48/1029376248.db2.gz CAISAMCTZULDDZ-UHFFFAOYSA-N -1 1 323.327 3.664 20 0 DHADMM C[C@@H]1C[C@H](C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CCO1 ZINC000529538678 1029376499 /nfs/dbraw/zinc/37/64/99/1029376499.db2.gz JMLHENPXPPDGHW-GHMZBOCLSA-N -1 1 319.788 3.952 20 0 DHADMM CCC(C)(C)C1CCC(NC(=O)c2ncc(C)cc2[O-])CC1 ZINC001136151295 1029414961 /nfs/dbraw/zinc/41/49/61/1029414961.db2.gz ZYKUMMSGYOKZOX-UHFFFAOYSA-N -1 1 304.434 3.820 20 0 DHADMM C[N@@H+](CCC1=CCCCC1)Cc1nc(=O)c2sccc2[n-]1 ZINC000450758868 1029647781 /nfs/dbraw/zinc/64/77/81/1029647781.db2.gz PFYDYLGZWOTQCS-UHFFFAOYSA-N -1 1 303.431 3.719 20 0 DHADMM COc1ccccc1CC(C)(C)C(=O)Nc1cccc(F)c1[O-] ZINC000530004970 1029710125 /nfs/dbraw/zinc/71/01/25/1029710125.db2.gz DIJLRUBSINQOHM-UHFFFAOYSA-N -1 1 317.360 3.747 20 0 DHADMM CCC(CC)n1nc(C(=O)Nc2cccc(F)c2[O-])cc1C ZINC000530005581 1029710301 /nfs/dbraw/zinc/71/03/01/1029710301.db2.gz MMOYKHZTAABLDX-UHFFFAOYSA-N -1 1 305.353 3.650 20 0 DHADMM CC[C@@H](C)n1ncc(C(=O)Nc2cccc(F)c2[O-])c1C1CC1 ZINC000530005461 1029710800 /nfs/dbraw/zinc/71/08/00/1029710800.db2.gz KTIDIQOWTZYZPM-SNVBAGLBSA-N -1 1 317.364 3.829 20 0 DHADMM COc1ccc(C=Cc2ncc(OC)c(=O)[n-]2)c2ccccc12 ZINC000821012763 1029805359 /nfs/dbraw/zinc/80/53/59/1029805359.db2.gz OAJFTXOUTCTQSC-CSKARUKUSA-N -1 1 308.337 3.523 20 0 DHADMM O=C(Cc1csc(C2CCCC2)n1)Nc1ccc(F)cc1[O-] ZINC000821344237 1029830478 /nfs/dbraw/zinc/83/04/78/1029830478.db2.gz MSAKGXFFFWAFFC-UHFFFAOYSA-N -1 1 320.389 3.827 20 0 DHADMM Cc1ccccc1C1(CNC(=O)c2ccc([O-])cn2)CCCCC1 ZINC001136541228 1029932976 /nfs/dbraw/zinc/93/29/76/1029932976.db2.gz SJPZWIHYSSCGOJ-UHFFFAOYSA-N -1 1 324.424 3.728 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCC(c2ccccc2F)CC1 ZINC000530951516 1030095623 /nfs/dbraw/zinc/09/56/23/1030095623.db2.gz PNLSWXPTFOLWQM-UHFFFAOYSA-N -1 1 317.335 3.690 20 0 DHADMM C[C@H](CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccccc1 ZINC000357670082 1030143791 /nfs/dbraw/zinc/14/37/91/1030143791.db2.gz FRMSSPOHHUEHEH-CYBMUJFWSA-N -1 1 321.380 3.915 20 0 DHADMM COc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)ccc1Cl ZINC000121003660 1030232862 /nfs/dbraw/zinc/23/28/62/1030232862.db2.gz VJQGGCMJDYNNST-UHFFFAOYSA-N -1 1 312.152 3.960 20 0 DHADMM CCO[C@@H](Cc1nc(-c2ccc([O-])c(F)c2)no1)C1=CCCC1 ZINC000445476477 1030286389 /nfs/dbraw/zinc/28/63/89/1030286389.db2.gz CYUXVPMKJSUEKT-HNNXBMFYSA-N -1 1 318.348 3.639 20 0 DHADMM CCCOc1nc(C)ccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000358206876 1030378426 /nfs/dbraw/zinc/37/84/26/1030378426.db2.gz XXGNGYJPXKOHHK-UHFFFAOYSA-N -1 1 320.776 3.790 20 0 DHADMM O=C([N-]c1cc(F)cc(F)c1F)c1c(F)cc(F)cc1F ZINC000558243656 1030492777 /nfs/dbraw/zinc/49/27/77/1030492777.db2.gz IXTDUHMXMHKDHI-UHFFFAOYSA-N -1 1 305.177 3.774 20 0 DHADMM CC[C@@H](c1ccncc1)N(C)C(=O)c1cc(Cl)ccc1[O-] ZINC001136859612 1030529917 /nfs/dbraw/zinc/52/99/17/1030529917.db2.gz BFEKXTTUPGUUFA-AWEZNQCLSA-N -1 1 304.777 3.664 20 0 DHADMM CCc1ccc(C(=O)Nc2nc3ccsc3s2)c([O-])c1 ZINC001136882079 1030560682 /nfs/dbraw/zinc/56/06/82/1030560682.db2.gz AITZQZLRLVEAPU-UHFFFAOYSA-N -1 1 304.396 3.878 20 0 DHADMM CC(C)c1ncsc1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000868746369 1030634706 /nfs/dbraw/zinc/63/47/06/1030634706.db2.gz YFWRILMHNCPZNK-UHFFFAOYSA-N -1 1 310.806 3.807 20 0 DHADMM O=c1ccn(-c2ccc(Nc3cccc(OC(F)F)c3)cc2)[n-]1 ZINC001212066400 1030799386 /nfs/dbraw/zinc/79/93/86/1030799386.db2.gz QZEKCSQCIVPXRQ-UHFFFAOYSA-N -1 1 317.295 3.923 20 0 DHADMM O=C(Nc1c([O-])cc(Br)cc1Cl)[C@@H]1CC12CC2 ZINC000843884866 1030881871 /nfs/dbraw/zinc/88/18/71/1030881871.db2.gz DPXXQXZGPRSTCX-ZETCQYMHSA-N -1 1 316.582 3.547 20 0 DHADMM Cc1ccc(O)c(C[N@H+](Cc2ccco2)Cc2ccccc2)n1 ZINC000162205748 1031058817 /nfs/dbraw/zinc/05/88/17/1031058817.db2.gz JMGQXMNDYDQUAC-UHFFFAOYSA-N -1 1 308.381 3.891 20 0 DHADMM O=C(c1cccc([O-])c1F)N1CCC[C@@H](Cc2ccccc2)C1 ZINC001144010216 1031171189 /nfs/dbraw/zinc/17/11/89/1031171189.db2.gz DSBNASMSCQKUBC-HNNXBMFYSA-N -1 1 313.372 3.626 20 0 DHADMM CN(CCCC(=O)[O-])Cc1nc(-c2ccccc2Cl)cs1 ZINC000455616599 1031246120 /nfs/dbraw/zinc/24/61/20/1031246120.db2.gz DBGSLVUDKLOVBA-UHFFFAOYSA-N -1 1 324.833 3.760 20 0 DHADMM Cc1nc(C(C)C)oc1C(=O)[N-]c1nc(C(C)(C)C)ns1 ZINC000293005560 1031287047 /nfs/dbraw/zinc/28/70/47/1031287047.db2.gz JXTYYJPJBDRUID-UHFFFAOYSA-N -1 1 308.407 3.508 20 0 DHADMM COc1cc(C(=O)Nc2ccc(C(C)C)nc2)cc(Cl)c1[O-] ZINC000928621517 1031347149 /nfs/dbraw/zinc/34/71/49/1031347149.db2.gz GUYQBNDWGFGLOA-UHFFFAOYSA-N -1 1 320.776 3.825 20 0 DHADMM CCc1[n-]n(-c2nc3cc(Cl)ccc3cc2C)c(=O)c1F ZINC000871958831 1031389583 /nfs/dbraw/zinc/38/95/83/1031389583.db2.gz GHHZGBKHVNTXRO-ZDUSSCGKSA-N -1 1 305.740 3.647 20 0 DHADMM CC1(C)CCc2c([n-]n([C@@H]3CCOC4(CCCC4)C3)c2=O)C1 ZINC000871963151 1031389823 /nfs/dbraw/zinc/38/98/23/1031389823.db2.gz FAJAMLIZPCEURU-ZIAGYGMSSA-N -1 1 304.434 3.503 20 0 DHADMM O=c1c2c([n-]n1[C@@H]1CCOC3(CCCC3)C1)CCCCCC2 ZINC000871964771 1031390029 /nfs/dbraw/zinc/39/00/29/1031390029.db2.gz ZPDUBXKXFQIFRR-HUUCEWRRSA-N -1 1 304.434 3.647 20 0 DHADMM Cc1nc(SCc2ncc(-c3cccs3)o2)[n-]c(=O)c1C ZINC000537413881 1031596155 /nfs/dbraw/zinc/59/61/55/1031596155.db2.gz ZTPDWYBIKHUUBF-UHFFFAOYSA-N -1 1 319.411 3.808 20 0 DHADMM CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)c1cccc([O-])c1F ZINC001626145386 1031631980 /nfs/dbraw/zinc/63/19/80/1031631980.db2.gz ISCCQSTYMKAFMA-HZSPNIEDSA-N -1 1 307.409 3.970 20 0 DHADMM Cc1c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)[nH]nc1C1CC1 ZINC000760318228 1031657594 /nfs/dbraw/zinc/65/75/94/1031657594.db2.gz ADBJVWRDNFWTBZ-UHFFFAOYSA-N -1 1 319.430 3.520 20 0 DHADMM CC(C)N(CC1CCC1)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897585812 1031658049 /nfs/dbraw/zinc/65/80/49/1031658049.db2.gz WTZCZKGFQJKCIK-UHFFFAOYSA-N -1 1 313.397 3.902 20 0 DHADMM Cc1cnc(CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)nc1 ZINC000361001806 1031668504 /nfs/dbraw/zinc/66/85/04/1031668504.db2.gz JRVVYQPKGLJDLO-UHFFFAOYSA-N -1 1 324.409 3.548 20 0 DHADMM Cc1ccc([C@H](C)NC(=O)NCc2ccc([O-])c(Cl)c2)s1 ZINC000872988750 1031687158 /nfs/dbraw/zinc/68/71/58/1031687158.db2.gz CZABWAFWMITGQF-JTQLQIEISA-N -1 1 324.833 3.976 20 0 DHADMM Cc1scc(CNC(=O)NCc2ccc([O-])c(Cl)c2)c1C ZINC000873086496 1031706947 /nfs/dbraw/zinc/70/69/47/1031706947.db2.gz CLNCXIBNINRLME-UHFFFAOYSA-N -1 1 324.833 3.723 20 0 DHADMM CC(C)Cc1ccc([C@H](C)C(=O)[N-]OCC(F)(F)F)cc1 ZINC000760454510 1031719987 /nfs/dbraw/zinc/71/99/87/1031719987.db2.gz KLTMXYCHYYOLGZ-NSHDSACASA-N -1 1 303.324 3.599 20 0 DHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC(C2CCCC2)C1 ZINC000897623226 1031745874 /nfs/dbraw/zinc/74/58/74/1031745874.db2.gz NKKXZTARNLXXGD-UHFFFAOYSA-N -1 1 311.381 3.513 20 0 DHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000897908260 1031878212 /nfs/dbraw/zinc/87/82/12/1031878212.db2.gz FCRZKESRTBSVMN-MSOLQXFVSA-N -1 1 323.392 3.512 20 0 DHADMM CCOc1cc(C(=O)N[C@@H]2CC23CCCC3)cc(Cl)c1[O-] ZINC000561448635 1031911369 /nfs/dbraw/zinc/91/13/69/1031911369.db2.gz OTUAEHOHTJZDKZ-CYBMUJFWSA-N -1 1 309.793 3.507 20 0 DHADMM CCOc1cc(C(=O)N[C@H]2CC23CCCC3)cc(Cl)c1[O-] ZINC000561448642 1031911398 /nfs/dbraw/zinc/91/13/98/1031911398.db2.gz OTUAEHOHTJZDKZ-ZDUSSCGKSA-N -1 1 309.793 3.507 20 0 DHADMM CC[C@H](C)N(Cc1ccccc1)C(=O)c1cccc([O-])c1F ZINC001144753032 1031937726 /nfs/dbraw/zinc/93/77/26/1031937726.db2.gz WEICPQOVRYBJJP-ZDUSSCGKSA-N -1 1 301.361 3.972 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@]2(CC2(F)F)C1 ZINC000846570271 1032007209 /nfs/dbraw/zinc/00/72/09/1032007209.db2.gz KZEKJZCYJOZIGW-KRWDZBQOSA-N -1 1 317.335 3.807 20 0 DHADMM C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(Br)cc1[O-] ZINC000044490469 1032050337 /nfs/dbraw/zinc/05/03/37/1032050337.db2.gz NVHJTWGZUVGJLA-NXEZZACHSA-N -1 1 312.207 3.558 20 0 DHADMM Cc1c(F)nccc1Nc1ccc(F)c(Br)c1[O-] ZINC001212845116 1033302276 /nfs/dbraw/zinc/30/22/76/1033302276.db2.gz WQRFWGOFFNXXGU-UHFFFAOYSA-N -1 1 315.117 3.880 20 0 DHADMM FC(F)(F)c1cnc(-c2nc(-c3cccc4ccoc43)no2)[n-]1 ZINC001212689435 1033462615 /nfs/dbraw/zinc/46/26/15/1033462615.db2.gz DVMJLRHHJBRCTJ-UHFFFAOYSA-N -1 1 320.230 3.892 20 0 DHADMM FC(F)(F)c1c[n-]c(-c2nc(-c3cccc4ccoc43)no2)n1 ZINC001212689435 1033462619 /nfs/dbraw/zinc/46/26/19/1033462619.db2.gz DVMJLRHHJBRCTJ-UHFFFAOYSA-N -1 1 320.230 3.892 20 0 DHADMM C[C@@H](NC(=O)c1cc(Cl)ccc1[O-])[C@H](C)c1ccccc1 ZINC001137134198 1033759579 /nfs/dbraw/zinc/75/95/79/1033759579.db2.gz DWYCOHGVMHXJGS-NWDGAFQWSA-N -1 1 303.789 3.968 20 0 DHADMM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc2ncsc2c1 ZINC000479512317 1033792779 /nfs/dbraw/zinc/79/27/79/1033792779.db2.gz RIFFCHHWLKDXEQ-UHFFFAOYSA-N -1 1 324.814 3.751 20 0 DHADMM Cc1oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2c1C ZINC000479558873 1033814214 /nfs/dbraw/zinc/81/42/14/1033814214.db2.gz PTRGQVVJNOBTMW-UHFFFAOYSA-N -1 1 301.367 3.850 20 0 DHADMM CC[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000479721909 1033880783 /nfs/dbraw/zinc/88/07/83/1033880783.db2.gz KHAOXWLWAZQXFK-WFASDCNBSA-N -1 1 313.401 3.937 20 0 DHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2cc(C)cc(C)c2)c1 ZINC001173831092 1033914237 /nfs/dbraw/zinc/91/42/37/1033914237.db2.gz SDWDDCBVUGAOSB-UHFFFAOYSA-N -1 1 305.399 3.546 20 0 DHADMM O=C([O-])C1=CC[C@@H](Nc2ccnc3cc(C(F)(F)F)ccc32)C1 ZINC000863478767 1034107527 /nfs/dbraw/zinc/10/75/27/1034107527.db2.gz RHUXGEVCXSAPAF-LLVKDONJSA-N -1 1 322.286 3.839 20 0 DHADMM CN=[S@@](C)(=O)c1cccc(NCc2cccc([O-])c2Cl)c1 ZINC000864014912 1034254072 /nfs/dbraw/zinc/25/40/72/1034254072.db2.gz ZQYICFMBFOESKR-NRFANRHFSA-N -1 1 324.833 3.744 20 0 DHADMM O=c1ccn(-c2ccc(Nc3ccc(C(F)(F)F)nc3)cc2)[n-]1 ZINC001174313995 1034281418 /nfs/dbraw/zinc/28/14/18/1034281418.db2.gz XVIIWIHENHHLTH-UHFFFAOYSA-N -1 1 320.274 3.735 20 0 DHADMM CC(C)(O)c1cccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001174408943 1034396852 /nfs/dbraw/zinc/39/68/52/1034396852.db2.gz BIXCXMHZVICMBY-UHFFFAOYSA-N -1 1 309.369 3.549 20 0 DHADMM [O-]c1cc(Nc2ccc(N3CCOCC3)cc2)c(F)cc1Cl ZINC001174709127 1034572977 /nfs/dbraw/zinc/57/29/77/1034572977.db2.gz OYPVRWLIBVIKTC-UHFFFAOYSA-N -1 1 322.767 3.765 20 0 DHADMM Cc1nc(SCc2ccc(N(C)C)cc2)[n-]c(=O)c1C1CC1 ZINC000865373533 1034614243 /nfs/dbraw/zinc/61/42/43/1034614243.db2.gz YTQLDHYBBCPNAD-UHFFFAOYSA-N -1 1 315.442 3.726 20 0 DHADMM C[C@H](Cc1ccsc1)N(C)C(=O)c1c([O-])cccc1Cl ZINC001137167406 1034656469 /nfs/dbraw/zinc/65/64/69/1034656469.db2.gz GZLHEWOROAFRSF-SNVBAGLBSA-N -1 1 309.818 3.810 20 0 DHADMM O=C([O-])c1cc(Cl)ccc1CN1CCC[C@H]1c1cccnc1 ZINC001142643178 1034861182 /nfs/dbraw/zinc/86/11/82/1034861182.db2.gz JLOPUUQNEHERJD-INIZCTEOSA-N -1 1 316.788 3.770 20 0 DHADMM CC(C)Cc1ccc(Nc2cc(S(C)(=O)=O)ccc2[O-])cc1 ZINC001175296735 1034905472 /nfs/dbraw/zinc/90/54/72/1034905472.db2.gz SLDCFKITAJZOLR-UHFFFAOYSA-N -1 1 319.426 3.738 20 0 DHADMM O=C([N-]c1ccc(C2CC2)cc1F)c1nnc(-c2ccco2)o1 ZINC001175320365 1034932629 /nfs/dbraw/zinc/93/26/29/1034932629.db2.gz BEPBIJOFKFEOIP-UHFFFAOYSA-N -1 1 313.288 3.598 20 0 DHADMM [O-]c1cc(Nc2ccnc(Br)c2)cc(F)c1F ZINC001175750375 1035105153 /nfs/dbraw/zinc/10/51/53/1035105153.db2.gz STRJMWXHAHJJCI-UHFFFAOYSA-N -1 1 301.090 3.572 20 0 DHADMM COc1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1O ZINC000194367224 1035118602 /nfs/dbraw/zinc/11/86/02/1035118602.db2.gz SXPRVUANJFYJNI-UHFFFAOYSA-N -1 1 309.321 3.512 20 0 DHADMM CCC[C@H](C)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000482658286 1035157672 /nfs/dbraw/zinc/15/76/72/1035157672.db2.gz NKLRHDVEOVRBFI-VIFPVBQESA-N -1 1 300.196 3.838 20 0 DHADMM O=C([O-])C[C@H](NCc1ccc(Cl)cc1F)c1cccs1 ZINC000160737838 1035228540 /nfs/dbraw/zinc/22/85/40/1035228540.db2.gz YVXAYGYUTCZWME-LBPRGKRZSA-N -1 1 313.781 3.846 20 0 DHADMM [O-]c1c(Br)c(F)ccc1Nc1csc(CO)c1 ZINC001176371535 1035260037 /nfs/dbraw/zinc/26/00/37/1035260037.db2.gz KNHFWXNLAPATGT-UHFFFAOYSA-N -1 1 318.167 3.591 20 0 DHADMM Cn1cc(Nc2cc([O-])c(F)c(F)c2)c(-c2ccccc2)n1 ZINC001176568661 1035297605 /nfs/dbraw/zinc/29/76/05/1035297605.db2.gz UIIZCMSUKQVVTE-UHFFFAOYSA-N -1 1 301.296 3.815 20 0 DHADMM COCCOc1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1 ZINC001176670519 1035310059 /nfs/dbraw/zinc/31/00/59/1035310059.db2.gz XLJSONJCQZBYAB-UHFFFAOYSA-N -1 1 313.275 3.578 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ccc3c(c2)OC(F)(F)O3)c1F ZINC001176671378 1035310280 /nfs/dbraw/zinc/31/02/80/1035310280.db2.gz BPZXOTDTXFZGPA-UHFFFAOYSA-N -1 1 319.185 3.875 20 0 DHADMM Cc1cc2c(cccc2Nc2c(F)cc(F)c([O-])c2F)nn1 ZINC001176671402 1035311009 /nfs/dbraw/zinc/31/10/09/1035311009.db2.gz CDTCKYGOAPJXLH-UHFFFAOYSA-N -1 1 305.259 3.805 20 0 DHADMM CCOC(=O)c1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1 ZINC001176673726 1035311341 /nfs/dbraw/zinc/31/13/41/1035311341.db2.gz YDRNALRRTJKMFO-UHFFFAOYSA-N -1 1 311.259 3.730 20 0 DHADMM CN1Cc2c(Nc3c(F)cc(F)c([O-])c3F)cccc2NC1=O ZINC001176673574 1035311384 /nfs/dbraw/zinc/31/13/84/1035311384.db2.gz WGBYQRBICIYCII-UHFFFAOYSA-N -1 1 323.274 3.530 20 0 DHADMM COc1cnc(Cl)c(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176663090 1035318084 /nfs/dbraw/zinc/31/80/84/1035318084.db2.gz BEVGVLCDJXPRLY-UHFFFAOYSA-N -1 1 304.655 3.610 20 0 DHADMM Cc1ccnc(NC(=O)Cc2ccc([O-])c(Cl)c2)c1C1CC1 ZINC000640699194 1035327470 /nfs/dbraw/zinc/32/74/70/1035327470.db2.gz SZKXGQKNPVDQOV-UHFFFAOYSA-N -1 1 316.788 3.808 20 0 DHADMM CCc1ncc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)s1 ZINC000903998474 1035336611 /nfs/dbraw/zinc/33/66/11/1035336611.db2.gz RLDSDEMIAFDHKW-CYBMUJFWSA-N -1 1 324.833 3.665 20 0 DHADMM CC(C)(C)c1coc(CNC[C@@H](CC(=O)[O-])C2CCCCC2)n1 ZINC000904026583 1035353800 /nfs/dbraw/zinc/35/38/00/1035353800.db2.gz IIVCJYDULZINTM-CQSZACIVSA-N -1 1 322.449 3.733 20 0 DHADMM COC(=O)c1c[n-]c(SCc2ccc(C(C)(C)C)cc2)n1 ZINC000484585417 1035367295 /nfs/dbraw/zinc/36/72/95/1035367295.db2.gz PSIRFVGJODPETN-UHFFFAOYSA-N -1 1 304.415 3.786 20 0 DHADMM CCc1cc(=O)[n-]c(S[C@@H]2CCc3c2cccc3Cl)n1 ZINC000195059362 1035405664 /nfs/dbraw/zinc/40/56/64/1035405664.db2.gz MPTYYYULHHKCBT-CYBMUJFWSA-N -1 1 306.818 3.765 20 0 DHADMM C[C@H](CCc1ccccc1)[N-]C(=O)C(F)(F)C(F)(F)Cl ZINC001179781658 1035499528 /nfs/dbraw/zinc/49/95/28/1035499528.db2.gz KVYKFBZAMJDEDA-SECBINFHSA-N -1 1 311.706 3.591 20 0 DHADMM O=S(=O)(CC1CCC1)[N-]c1ccccc1OC1CCCCC1 ZINC001193516330 1035656278 /nfs/dbraw/zinc/65/62/78/1035656278.db2.gz VNXCPTAINLEMIB-UHFFFAOYSA-N -1 1 323.458 3.940 20 0 DHADMM CC[C@@H](Sc1ncc(C)c(=O)[n-]1)C(=O)c1ccc(Cl)cc1 ZINC000569020923 1035722928 /nfs/dbraw/zinc/72/29/28/1035722928.db2.gz KGIDVYLKWCVXTD-GFCCVEGCSA-N -1 1 322.817 3.898 20 0 DHADMM C[C@H](C1CC1)n1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000192277458 1035788391 /nfs/dbraw/zinc/78/83/91/1035788391.db2.gz ZQXDCGPRTDFDNC-SECBINFHSA-N -1 1 320.780 3.857 20 0 DHADMM [O-]c1cccc(CN2CCC=C(Br)C2)c1Cl ZINC000816599780 1035819159 /nfs/dbraw/zinc/81/91/59/1035819159.db2.gz YJRRCLPEMVBLNP-UHFFFAOYSA-N -1 1 302.599 3.530 20 0 DHADMM CCN(C(=O)c1ccc(OC)cc1[O-])c1ccc(Cl)cc1 ZINC000914476863 1035937607 /nfs/dbraw/zinc/93/76/07/1035937607.db2.gz QWIXRQWNTMKRES-UHFFFAOYSA-N -1 1 305.761 3.721 20 0 DHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc2cccnc2c1 ZINC001194634524 1035974233 /nfs/dbraw/zinc/97/42/33/1035974233.db2.gz TWEHUTOAVJWYEQ-UHFFFAOYSA-N -1 1 312.394 3.652 20 0 DHADMM CN(C)c1cccc(CCC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000194509079 1036019817 /nfs/dbraw/zinc/01/98/17/1036019817.db2.gz GWNHDZAPHIVLJJ-UHFFFAOYSA-N -1 1 318.804 3.683 20 0 DHADMM CC(=O)Oc1ccc(F)c(Nc2cc(Cl)c([O-])cc2F)c1 ZINC001250026566 1036038630 /nfs/dbraw/zinc/03/86/30/1036038630.db2.gz QMRIHIOOXRRRFG-UHFFFAOYSA-N -1 1 313.687 3.993 20 0 DHADMM CC1(C)C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2[O-])CCO1 ZINC001182021997 1036085767 /nfs/dbraw/zinc/08/57/67/1036085767.db2.gz BXNLEGZWGYYORA-VIFPVBQESA-N -1 1 317.307 3.555 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCOC2(CCCC2)C1 ZINC000907092391 1036145183 /nfs/dbraw/zinc/14/51/83/1036145183.db2.gz GQNZMUAGSXWTRU-LLVKDONJSA-N -1 1 309.793 3.724 20 0 DHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccccc2[C@H](C)O)c1 ZINC001195158820 1036163623 /nfs/dbraw/zinc/16/36/23/1036163623.db2.gz HFFRGCGVUGLACR-ZDUSSCGKSA-N -1 1 319.426 3.664 20 0 DHADMM Cc1nc(C2CCC2)sc1CC(=O)[N-]OC1CCCCC1 ZINC000907543445 1036230867 /nfs/dbraw/zinc/23/08/67/1036230867.db2.gz JDBVBMSGVVCCJU-UHFFFAOYSA-N -1 1 308.447 3.642 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1c(Cl)cc(F)cc1Cl ZINC001195483381 1036265313 /nfs/dbraw/zinc/26/53/13/1036265313.db2.gz CQMHWWZYXKURCT-UHFFFAOYSA-N -1 1 311.165 3.575 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1ccccc1-c1ccccc1F ZINC001195485089 1036269221 /nfs/dbraw/zinc/26/92/21/1036269221.db2.gz XCLYIWXTLYTXDZ-UHFFFAOYSA-N -1 1 318.373 3.936 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1ccc(-c2ccsc2)cc1 ZINC001195493180 1036270505 /nfs/dbraw/zinc/27/05/05/1036270505.db2.gz ZIWXJBDKWVHGES-UHFFFAOYSA-N -1 1 306.412 3.858 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1c(Cl)cc(F)cc1C1CC1 ZINC001195495310 1036274189 /nfs/dbraw/zinc/27/41/89/1036274189.db2.gz YREYJBUJJVQQKU-UHFFFAOYSA-N -1 1 316.785 3.799 20 0 DHADMM [O-]c1cc(F)ccc1NC(=S)NCc1cccc(Cl)c1 ZINC001195976505 1036396984 /nfs/dbraw/zinc/39/69/84/1036396984.db2.gz ZVSUHIFYBIGYEB-UHFFFAOYSA-N -1 1 310.781 3.671 20 0 DHADMM Cc1c(Cl)cc(F)c(NC(=O)[N-]O[C@@H]2CCCCO2)c1F ZINC000775688858 1036461222 /nfs/dbraw/zinc/46/12/22/1036461222.db2.gz CGTOQPSUHBBQHL-SNVBAGLBSA-N -1 1 320.723 3.506 20 0 DHADMM CCOc1cc(-c2nc([C@]3(C)CCCO3)no2)cc(Cl)c1[O-] ZINC000350756794 1036466844 /nfs/dbraw/zinc/46/68/44/1036466844.db2.gz MSJKMICRHXPKKQ-HNNXBMFYSA-N -1 1 324.764 3.520 20 0 DHADMM C[C@H]1CCCC[C@@H]1C(=O)Nc1cccc([O-])c1Br ZINC000908706362 1036485795 /nfs/dbraw/zinc/48/57/95/1036485795.db2.gz AEWDIRMOMNXRJS-UWVGGRQHSA-N -1 1 312.207 3.920 20 0 DHADMM CC1(C)CCC[C@H]1C(=O)Nc1cccc([O-])c1Br ZINC000908710455 1036489291 /nfs/dbraw/zinc/48/92/91/1036489291.db2.gz QPLZBNMBZVVAOQ-VIFPVBQESA-N -1 1 312.207 3.920 20 0 DHADMM C[C@H]1CC[C@H](CC(=O)Nc2cccc([O-])c2Br)C1 ZINC000908709301 1036489921 /nfs/dbraw/zinc/48/99/21/1036489921.db2.gz NNFPZCACRYTZDI-UWVGGRQHSA-N -1 1 312.207 3.920 20 0 DHADMM CCCN(C)c1ccc(C(=O)Nc2nc(Cl)ccc2[O-])cc1 ZINC001183209636 1036550478 /nfs/dbraw/zinc/55/04/78/1036550478.db2.gz FZWUIFKHKNDBSD-UHFFFAOYSA-N -1 1 319.792 3.539 20 0 DHADMM Cc1cccc(C2(C(=O)Nc3nc(Cl)ccc3[O-])CCC2)c1 ZINC001183209563 1036550547 /nfs/dbraw/zinc/55/05/47/1036550547.db2.gz CHLKQSRDSADZLK-UHFFFAOYSA-N -1 1 316.788 3.809 20 0 DHADMM C[C@@H]1CN(Cc2cccc([O-])c2Cl)C[C@@H](CC(F)(F)F)O1 ZINC000668769781 1036615793 /nfs/dbraw/zinc/61/57/93/1036615793.db2.gz ZGZHQGHIVVCRCF-MWLCHTKSSA-N -1 1 323.742 3.587 20 0 DHADMM O=C(Nc1ccc(Cl)cc1[O-])C1=NO[C@H](c2ccccc2)C1 ZINC000153488754 1036664861 /nfs/dbraw/zinc/66/48/61/1036664861.db2.gz JNFJBOZROFCJMW-HNNXBMFYSA-N -1 1 316.744 3.502 20 0 DHADMM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909984736 1036728798 /nfs/dbraw/zinc/72/87/98/1036728798.db2.gz SIGZYJKGZGULSZ-DTWKUNHWSA-N -1 1 309.337 3.783 20 0 DHADMM CCCC[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC001184707529 1036932669 /nfs/dbraw/zinc/93/26/69/1036932669.db2.gz OKENEMKFHABTRK-UHFFFAOYSA-N -1 1 303.836 3.633 20 0 DHADMM CCS[C@@H]1CCC[C@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC001294398102 1036932847 /nfs/dbraw/zinc/93/28/47/1036932847.db2.gz YXJSSEMXWJSPDX-NWDGAFQWSA-N -1 1 313.850 3.840 20 0 DHADMM O=[N+]([O-])c1ccc(-c2nc(-c3cccc(C(F)F)c3)no2)[n-]1 ZINC000350927470 1037065249 /nfs/dbraw/zinc/06/52/49/1037065249.db2.gz TXQYIDUMRLDCQD-UHFFFAOYSA-N -1 1 306.228 3.578 20 0 DHADMM Cc1ccnc(F)c1[N-]S(=O)(=O)c1cc2ccccc2s1 ZINC001185425516 1037136374 /nfs/dbraw/zinc/13/63/74/1037136374.db2.gz UXSCUZICTGRJMO-UHFFFAOYSA-N -1 1 322.386 3.545 20 0 DHADMM O=C([N-]c1cc(C2CCCC2)no1)c1cnoc1C(F)(F)F ZINC001199046619 1037187777 /nfs/dbraw/zinc/18/77/77/1037187777.db2.gz MJNXEYMXKSDDHI-UHFFFAOYSA-N -1 1 315.251 3.591 20 0 DHADMM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1c([O-])cccc1Cl ZINC000775942948 1037218277 /nfs/dbraw/zinc/21/82/77/1037218277.db2.gz OAZQXHLDMPXAJE-RKDXNWHRSA-N -1 1 321.726 3.849 20 0 DHADMM O=C1CCCc2nc(Nc3c(F)ccc([O-])c3Cl)sc21 ZINC001250228057 1037304534 /nfs/dbraw/zinc/30/45/34/1037304534.db2.gz JJTRGKZLXSAULJ-UHFFFAOYSA-N -1 1 312.753 3.904 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)Nc1c(F)cc(F)cc1F ZINC001186058058 1037307728 /nfs/dbraw/zinc/30/77/28/1037307728.db2.gz XVLIAWWQXWHDLF-UHFFFAOYSA-N -1 1 318.201 3.732 20 0 DHADMM O=C(NCCc1ccc(F)cc1)Nc1cccc([O-])c1Cl ZINC001186279411 1037352780 /nfs/dbraw/zinc/35/27/80/1037352780.db2.gz HYXZKJQUUKMJPP-UHFFFAOYSA-N -1 1 308.740 3.549 20 0 DHADMM O=C(N[C@@H](c1ccccc1F)C1CC1)c1ccc([O-])cc1F ZINC001186339960 1037379921 /nfs/dbraw/zinc/37/99/21/1037379921.db2.gz TTWPJRMDRZXBIP-MRXNPFEDSA-N -1 1 303.308 3.552 20 0 DHADMM COc1c(C)ccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1C ZINC000194144244 1037386454 /nfs/dbraw/zinc/38/64/54/1037386454.db2.gz LZXDEIJAGKRRPZ-UHFFFAOYSA-N -1 1 323.389 3.560 20 0 DHADMM [O-]c1cccc(CN2CCN(c3ccc(F)cc3)CC2)c1Cl ZINC000328363361 1037808805 /nfs/dbraw/zinc/80/88/05/1037808805.db2.gz TZTZCQJFIZIWHT-UHFFFAOYSA-N -1 1 320.795 3.507 20 0 DHADMM CCCc1cc(=O)[n-]c(SCCO[C@H]2CCCC[C@H]2C)n1 ZINC001188163205 1037832714 /nfs/dbraw/zinc/83/27/14/1037832714.db2.gz PPLHYHARKLMYHD-OCCSQVGLSA-N -1 1 310.463 3.822 20 0 DHADMM Cc1cccc(O)c1C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001188654712 1037944743 /nfs/dbraw/zinc/94/47/43/1037944743.db2.gz GKMFJDWVMZBVOR-UHFFFAOYSA-N -1 1 311.259 3.677 20 0 DHADMM O=C(Nc1ccc(F)cc1F)Nc1c(F)cc([O-])cc1F ZINC001202023888 1037972678 /nfs/dbraw/zinc/97/26/78/1037972678.db2.gz OIICKUMNUHNGJH-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM COC(=O)c1c[n-]c(S[C@H](C)CCSc2ccccc2)n1 ZINC000187598612 1037979218 /nfs/dbraw/zinc/97/92/18/1037979218.db2.gz NRXYHDWAZRWGLH-LLVKDONJSA-N -1 1 322.455 3.859 20 0 DHADMM CCc1cc(=O)[n-]c(SCc2ccc([Si](C)(C)C)cc2)n1 ZINC001189173320 1038092211 /nfs/dbraw/zinc/09/22/11/1038092211.db2.gz AUQRALOECUSQCH-UHFFFAOYSA-N -1 1 318.518 3.582 20 0 DHADMM [O-]c1cc(CN2C[C@H]3CCCC[C@@H]3C2)c(F)c(F)c1Cl ZINC001250387812 1038359850 /nfs/dbraw/zinc/35/98/50/1038359850.db2.gz OTCPYHGSZWAUCE-NXEZZACHSA-N -1 1 301.764 3.946 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2ccn3C)cc1C ZINC000588834405 1038384012 /nfs/dbraw/zinc/38/40/12/1038384012.db2.gz KWYPRFITDGZKBA-UHFFFAOYSA-N -1 1 314.410 3.596 20 0 DHADMM C=Cc1ccc(CNC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC001191155569 1038452084 /nfs/dbraw/zinc/45/20/84/1038452084.db2.gz LBKQJENFYCZQQD-UHFFFAOYSA-N -1 1 317.772 3.627 20 0 DHADMM O=C(NCCCc1ccccc1)Nc1cccc([O-])c1Cl ZINC001191208152 1038462113 /nfs/dbraw/zinc/46/21/13/1038462113.db2.gz HIBXOOZEOJPERW-UHFFFAOYSA-N -1 1 304.777 3.800 20 0 DHADMM O=S(=O)(CC1CCCC1)[N-]c1ccccc1-c1nccs1 ZINC001191535209 1038515314 /nfs/dbraw/zinc/51/53/14/1038515314.db2.gz IFAFJQDSVZNFJR-UHFFFAOYSA-N -1 1 322.455 3.742 20 0 DHADMM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C)ccc1F ZINC001191829221 1038557363 /nfs/dbraw/zinc/55/73/63/1038557363.db2.gz XGIOOJUKIIBPHB-UHFFFAOYSA-N -1 1 323.389 3.642 20 0 DHADMM Cc1nc(Cl)ncc1NC(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192314853 1038624840 /nfs/dbraw/zinc/62/48/40/1038624840.db2.gz URFALSHTKGAIGR-UHFFFAOYSA-N -1 1 319.792 3.694 20 0 DHADMM CC(C)[C@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccc(F)cc1 ZINC001192551346 1038673136 /nfs/dbraw/zinc/67/31/36/1038673136.db2.gz FLMFIFBYGWCPQB-INIZCTEOSA-N -1 1 323.314 3.937 20 0 DHADMM O=C(c1c(F)ccc([O-])c1F)N1CCC[C@@H]1C1CCCCC1 ZINC001192535305 1038679160 /nfs/dbraw/zinc/67/91/60/1038679160.db2.gz FMSDCVUULOQVOJ-CYBMUJFWSA-N -1 1 309.356 3.855 20 0 DHADMM CCOc1ccc([C@@H](C)NC(=O)c2cc([O-])cc(F)c2F)cc1 ZINC001192685138 1038691498 /nfs/dbraw/zinc/69/14/98/1038691498.db2.gz ZIRIXMKPLOADBG-SNVBAGLBSA-N -1 1 321.323 3.560 20 0 DHADMM COc1cccc([C@H](C)NC(=O)Nc2cc([O-])c(F)cc2F)c1 ZINC001192882596 1038710889 /nfs/dbraw/zinc/71/08/89/1038710889.db2.gz NIJRXAGRFICURD-VIFPVBQESA-N -1 1 322.311 3.562 20 0 DHADMM C[C@@H](CSCCNCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000592462504 1039211465 /nfs/dbraw/zinc/21/14/65/1039211465.db2.gz WRJVTOWNUGFXLV-VIFPVBQESA-N -1 1 322.257 3.537 20 0 DHADMM O=C(Cc1ccc(C(F)(F)F)cc1)Nc1c([O-])cccc1F ZINC000605434911 1039682346 /nfs/dbraw/zinc/68/23/46/1039682346.db2.gz DHBCMEJUQPUNBC-UHFFFAOYSA-N -1 1 313.250 3.731 20 0 DHADMM Cc1cc(OCC(=O)Nc2c([O-])cccc2F)ccc1Cl ZINC000605435710 1039682911 /nfs/dbraw/zinc/68/29/11/1039682911.db2.gz XQGFEFWRLGDZNA-UHFFFAOYSA-N -1 1 309.724 3.511 20 0 DHADMM CC(C)(C)c1ccc(NC(=O)c2ccc([O-])c(F)c2)c(O)c1 ZINC000669746786 1040164835 /nfs/dbraw/zinc/16/48/35/1040164835.db2.gz HDRWXEBEJIBEGN-UHFFFAOYSA-N -1 1 303.333 3.787 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1C ZINC000607610760 1040204934 /nfs/dbraw/zinc/20/49/34/1040204934.db2.gz YGYKORLYKVDHSZ-UHFFFAOYSA-N -1 1 315.316 3.522 20 0 DHADMM O=C(CSc1ccc(Cl)cc1)Nc1c([O-])cccc1F ZINC000608365741 1040471127 /nfs/dbraw/zinc/47/11/27/1040471127.db2.gz AYCRIRPKGDAYBH-UHFFFAOYSA-N -1 1 311.765 3.916 20 0 DHADMM C[C@@H](CCc1ccccc1F)C(=O)Nc1c([O-])cccc1F ZINC000608366405 1040475423 /nfs/dbraw/zinc/47/54/23/1040475423.db2.gz UFVRMDSZSFAZSW-NSHDSACASA-N -1 1 305.324 3.878 20 0 DHADMM O=C(Nc1c([O-])cccc1F)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000608366279 1040475554 /nfs/dbraw/zinc/47/55/54/1040475554.db2.gz HPAAXHCKGPAONJ-ZJUUUORDSA-N -1 1 307.271 3.552 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H]1c1cccc(F)c1 ZINC000608478671 1040509589 /nfs/dbraw/zinc/50/95/89/1040509589.db2.gz TYZGCXAMKUFKSA-AWEZNQCLSA-N -1 1 305.736 3.772 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000456268707 1040758091 /nfs/dbraw/zinc/75/80/91/1040758091.db2.gz DZKYUKGPPISINN-HKUYNNGSSA-N -1 1 307.393 3.806 20 0 DHADMM Cc1nc(CC2CC2)sc1C(=O)Nc1ccc([O-])c(F)c1F ZINC000456784634 1040917380 /nfs/dbraw/zinc/91/73/80/1040917380.db2.gz MHPXDSPHIWRGDS-UHFFFAOYSA-N -1 1 324.352 3.640 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1C[C@]12CCc1ccccc12 ZINC000456791167 1040918578 /nfs/dbraw/zinc/91/85/78/1040918578.db2.gz XJTRVCBHOZFVEC-XIKOKIGWSA-N -1 1 315.319 3.513 20 0 DHADMM CC(C)(C)c1ncc(C(=O)Nc2ccc([O-])c(F)c2F)s1 ZINC000456792828 1040919509 /nfs/dbraw/zinc/91/95/09/1040919509.db2.gz LDELCBDSVJVXEC-UHFFFAOYSA-N -1 1 312.341 3.677 20 0 DHADMM C[C@H](CC(=O)Nc1ccc([O-])c(Cl)c1)C(=O)c1ccccc1 ZINC000602332154 1040969175 /nfs/dbraw/zinc/96/91/75/1040969175.db2.gz UDSZSILBRFQTDF-LLVKDONJSA-N -1 1 317.772 3.893 20 0 DHADMM COc1cc(C(=O)N[C@@]2(C)CCCC[C@@H]2C)cc(Cl)c1[O-] ZINC000457273378 1041071136 /nfs/dbraw/zinc/07/11/36/1041071136.db2.gz UZSNHGGSLCYSKI-QFYYESIMSA-N -1 1 311.809 3.753 20 0 DHADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccccc1N(C)C ZINC000598380504 1041207535 /nfs/dbraw/zinc/20/75/35/1041207535.db2.gz HJVZGNZDOFXMOM-UHFFFAOYSA-N -1 1 324.833 3.515 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1F ZINC000005126896 181207133 /nfs/dbraw/zinc/20/71/33/181207133.db2.gz FVFPODCGCSAPSO-UHFFFAOYSA-N -1 1 319.401 3.814 20 0 DHADMM CCc1cc(=O)[n-]c(SCc2ccc(Cl)c(Cl)c2)n1 ZINC000005155034 181210669 /nfs/dbraw/zinc/21/06/69/181210669.db2.gz AJJGLMMBPXLNJJ-UHFFFAOYSA-N -1 1 315.225 3.931 20 0 DHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2ccc3c(c2)CCCC3)o1 ZINC000417575824 334995091 /nfs/dbraw/zinc/99/50/91/334995091.db2.gz SZDYNCFDGXZQBV-KRWDZBQOSA-N -1 1 313.397 3.772 20 0 DHADMM COc1ccc(-c2nc(-c3ccc4ncccc4c3)no2)c([O-])c1 ZINC000391589619 335016658 /nfs/dbraw/zinc/01/66/58/335016658.db2.gz KBFSAXZLTFGOGS-UHFFFAOYSA-N -1 1 319.320 3.666 20 0 DHADMM CN(Cc1ccccc1F)C(=O)c1cc2ccccc2cc1[O-] ZINC000023484122 182362525 /nfs/dbraw/zinc/36/25/25/182362525.db2.gz RPWRZRUSXXMPQG-UHFFFAOYSA-N -1 1 309.340 3.957 20 0 DHADMM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1nc(C(C)(C)C)cs1 ZINC000563823032 335029730 /nfs/dbraw/zinc/02/97/30/335029730.db2.gz YXZOFOANADUSHZ-WOPDTQHZSA-N -1 1 310.463 3.514 20 0 DHADMM CCc1ccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)cc1 ZINC000417697033 335058582 /nfs/dbraw/zinc/05/85/82/335058582.db2.gz DDBUOSKRNWASSK-UHFFFAOYSA-N -1 1 310.397 3.509 20 0 DHADMM O=C(c1cncc([O-])c1)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000275338651 130306169 /nfs/dbraw/zinc/30/61/69/130306169.db2.gz WRVBEMLQUJJEHT-IPMKNSEASA-N -1 1 322.408 3.586 20 0 DHADMM CC(C)(C)C(=O)CCCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000296913309 131991707 /nfs/dbraw/zinc/99/17/07/131991707.db2.gz PJPDNTZPTXFSAG-UHFFFAOYSA-N -1 1 306.337 3.519 20 0 DHADMM CCOc1cc(C(=O)[N-]c2onc(C3CCCCC3)c2C)on1 ZINC000297658107 132027536 /nfs/dbraw/zinc/02/75/36/132027536.db2.gz FNORESYPHJIWFH-UHFFFAOYSA-N -1 1 319.361 3.670 20 0 DHADMM Cc1cnc([C@@H](NC(=O)c2ccc(Cl)cc2[O-])C2CC2)s1 ZINC000173614444 332833765 /nfs/dbraw/zinc/83/37/65/332833765.db2.gz NMUYMJGBOLSXEN-ZDUSSCGKSA-N -1 1 322.817 3.692 20 0 DHADMM CC(C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)CCC1CC1 ZINC000521322975 331522507 /nfs/dbraw/zinc/52/25/07/331522507.db2.gz UZLYUEVKKDUBMB-UHFFFAOYSA-N -1 1 317.838 3.669 20 0 DHADMM O=C(NCc1cccc2cccnc21)c1ccc(Cl)cc1[O-] ZINC000317273407 331666796 /nfs/dbraw/zinc/66/67/96/331666796.db2.gz RTXWPMSFDUQQCR-UHFFFAOYSA-N -1 1 312.756 3.524 20 0 DHADMM O=c1cc(C(F)F)nc(SCc2cc(F)ccc2F)[n-]1 ZINC000584141492 331840292 /nfs/dbraw/zinc/84/02/92/331840292.db2.gz BCAOLJNEAYFLAT-UHFFFAOYSA-N -1 1 304.268 3.690 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2Cl)c(F)c1 ZINC000558152193 331879805 /nfs/dbraw/zinc/87/98/05/331879805.db2.gz LOJFVDRSLWEQQF-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM CSC[C@@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000092762358 331921300 /nfs/dbraw/zinc/92/13/00/331921300.db2.gz ORVAYCSLYYGQDR-AWEZNQCLSA-N -1 1 301.411 3.513 20 0 DHADMM O=C([O-])C[C@H](NCc1ccccc1F)c1cccc(Cl)c1 ZINC000426809514 332151884 /nfs/dbraw/zinc/15/18/84/332151884.db2.gz DRWQQDVROBDNJD-HNNXBMFYSA-N -1 1 307.752 3.785 20 0 DHADMM CCc1ccc([C@@H](NCc2cc(C)ccc2F)C(=O)[O-])cc1 ZINC000426809951 332151897 /nfs/dbraw/zinc/15/18/97/332151897.db2.gz GZJMOFHDYMXLEV-QGZVFWFLSA-N -1 1 301.361 3.612 20 0 DHADMM CC(C)Cc1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000426793893 332154117 /nfs/dbraw/zinc/15/41/17/332154117.db2.gz RSMRRKDQOXABQY-SFHVURJKSA-N -1 1 315.388 3.940 20 0 DHADMM CCc1ccc([C@@H](NCc2cc(Cl)ccc2F)C(=O)[O-])cc1 ZINC000426798265 332154710 /nfs/dbraw/zinc/15/47/10/332154710.db2.gz DPEIKHHNPUHYNW-MRXNPFEDSA-N -1 1 321.779 3.957 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000426993934 332164673 /nfs/dbraw/zinc/16/46/73/332164673.db2.gz YRGGNPIESCQGFS-RKDXNWHRSA-N -1 1 311.765 3.988 20 0 DHADMM O=S(=O)([N-][C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1cc2ccccc2o1 ZINC000531010368 332208592 /nfs/dbraw/zinc/20/85/92/332208592.db2.gz ZIPXRXAPEGNGTG-GZBFAFLISA-N -1 1 319.426 3.680 20 0 DHADMM O=S(=O)([N-]c1ccccc1Cl)c1cc(Cl)ccc1F ZINC000560007270 332301808 /nfs/dbraw/zinc/30/18/08/332301808.db2.gz JMCRRAZOVHZAPL-UHFFFAOYSA-N -1 1 320.172 3.933 20 0 DHADMM O=C(COc1ccsc1Cl)Nc1ccc([O-])c(Cl)c1 ZINC000560100743 332311356 /nfs/dbraw/zinc/31/13/56/332311356.db2.gz MXFUIWOMJUORMF-UHFFFAOYSA-N -1 1 318.181 3.778 20 0 DHADMM CCOc1ccccc1CN(C)Cc1ccc(F)cc1C(=O)[O-] ZINC000566358158 332374505 /nfs/dbraw/zinc/37/45/05/332374505.db2.gz DUULMDOQAPSHTL-UHFFFAOYSA-N -1 1 317.360 3.555 20 0 DHADMM CCC[C@H](CC)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000561522402 332459726 /nfs/dbraw/zinc/45/97/26/332459726.db2.gz FOKXIJWPCDUZQB-ZETCQYMHSA-N -1 1 316.275 3.912 20 0 DHADMM CC1(C)CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000180532982 333028132 /nfs/dbraw/zinc/02/81/32/333028132.db2.gz OICPLNXNYFOSER-UHFFFAOYSA-N -1 1 301.308 3.673 20 0 DHADMM C[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@H]1C ZINC000180590086 333029112 /nfs/dbraw/zinc/02/91/12/333029112.db2.gz CHIUNTAGPNTRBQ-ZJUUUORDSA-N -1 1 301.308 3.672 20 0 DHADMM O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)c1ccc([O-])cc1F ZINC000181227981 333029901 /nfs/dbraw/zinc/02/99/01/333029901.db2.gz WNNXPLCYHASISK-KBXCAEBGSA-N -1 1 313.372 3.673 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H](c2ccccc2)CC1 ZINC000181207124 333029913 /nfs/dbraw/zinc/02/99/13/333029913.db2.gz VPMYVKYBWFFANB-OAHLLOKOSA-N -1 1 313.372 3.941 20 0 DHADMM Cc1ccccc1C(C)(C)CNC(=O)c1ccc([O-])cc1F ZINC000181200360 333029919 /nfs/dbraw/zinc/02/99/19/333029919.db2.gz VMGILCYQPQWTCF-UHFFFAOYSA-N -1 1 301.361 3.547 20 0 DHADMM O=C(NCc1ccc(Cl)cn1)c1ccc2ccccc2c1[O-] ZINC000182138918 333037084 /nfs/dbraw/zinc/03/70/84/333037084.db2.gz XCOWWSHKVBSKAL-UHFFFAOYSA-N -1 1 312.756 3.524 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc(C)c1F ZINC000460420680 333082621 /nfs/dbraw/zinc/08/26/21/333082621.db2.gz CTEBEFYTHHEVST-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1F ZINC000460449231 333089723 /nfs/dbraw/zinc/08/97/23/333089723.db2.gz PJQDCAATMBUZJX-UHFFFAOYSA-N -1 1 323.389 3.759 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cc(C)c1F ZINC000460463312 333091502 /nfs/dbraw/zinc/09/15/02/333091502.db2.gz ZIDWISZBBLBDCO-UHFFFAOYSA-N -1 1 315.316 3.522 20 0 DHADMM CC[C@@H](C)Oc1cccc(NC(=O)c2ccc([O-])cc2F)c1 ZINC000318658864 333198845 /nfs/dbraw/zinc/19/88/45/333198845.db2.gz BXEAPOGBRYSSPI-LLVKDONJSA-N -1 1 303.333 3.961 20 0 DHADMM Cc1cc(O[C@@H](C)C(=O)Nc2ccc(F)cc2[O-])ccc1Cl ZINC000531756414 333552491 /nfs/dbraw/zinc/55/24/91/333552491.db2.gz FKPGLEZOUPDXRF-JTQLQIEISA-N -1 1 323.751 3.899 20 0 DHADMM CCC(CC)c1nnc([N-]C(=O)c2cc(C(C)C)on2)s1 ZINC000152234079 333649146 /nfs/dbraw/zinc/64/91/46/333649146.db2.gz PSYPWDJGKXVUAC-UHFFFAOYSA-N -1 1 308.407 3.805 20 0 DHADMM CCOc1cc(C(=O)N2CC(C)(C)C[C@H]2C)cc(Cl)c1[O-] ZINC000413972087 333882574 /nfs/dbraw/zinc/88/25/74/333882574.db2.gz JMAYIUTWCNKUGR-SNVBAGLBSA-N -1 1 311.809 3.705 20 0 DHADMM Cc1c(CNC(=O)c2c(F)ccc([O-])c2F)oc2ccccc12 ZINC000343458923 335166514 /nfs/dbraw/zinc/16/65/14/335166514.db2.gz RZNZGQIBHWOTMP-UHFFFAOYSA-N -1 1 317.291 3.655 20 0 DHADMM Cc1cc(C)c([N-]S(=O)(=O)c2c(C)cc(F)cc2C)c(C)n1 ZINC000414461476 333988087 /nfs/dbraw/zinc/98/80/87/333988087.db2.gz RVDAERVLVJNYLF-UHFFFAOYSA-N -1 1 322.405 3.564 20 0 DHADMM CC(C)[C@@H](CNC(=O)c1ccc([O-])cc1F)Cc1ccccc1 ZINC000436839699 334005869 /nfs/dbraw/zinc/00/58/69/334005869.db2.gz UWYNGXBJCOZUDK-OAHLLOKOSA-N -1 1 315.388 3.776 20 0 DHADMM CC(=O)Nc1ccc([O-])c(-c2nc([C@@H]3CCCC[C@H]3C)no2)c1 ZINC000273850983 334052130 /nfs/dbraw/zinc/05/21/30/334052130.db2.gz LMDYJJOYGXOWIP-ZWNOBZJWSA-N -1 1 315.373 3.694 20 0 DHADMM CC[C@@H](C)N(CC(=O)[O-])Cc1ccc(Sc2ccccn2)o1 ZINC000414670950 334065223 /nfs/dbraw/zinc/06/52/23/334065223.db2.gz AIGDPMRZWCANSS-GFCCVEGCSA-N -1 1 320.414 3.511 20 0 DHADMM COc1cc(-c2nc(Cc3ccccc3)no2)cc(Cl)c1[O-] ZINC000443105074 338444792 /nfs/dbraw/zinc/44/47/92/338444792.db2.gz FPABOCDATNLPLT-UHFFFAOYSA-N -1 1 316.744 3.695 20 0 DHADMM O=C(COc1cccc2ccccc21)Nc1ccc(F)cc1[O-] ZINC000532012618 334371507 /nfs/dbraw/zinc/37/15/07/334371507.db2.gz XVINLUVCXYSYSL-UHFFFAOYSA-N -1 1 311.312 3.702 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1ccnc(Oc2ccccc2)c1 ZINC000532012739 334373917 /nfs/dbraw/zinc/37/39/17/334373917.db2.gz CCTZJFGDUBNDSD-UHFFFAOYSA-N -1 1 324.311 3.971 20 0 DHADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc2c1CCCC2 ZINC000112333625 334382884 /nfs/dbraw/zinc/38/28/84/334382884.db2.gz JFDRYYNQFQAJQX-UHFFFAOYSA-N -1 1 301.411 3.675 20 0 DHADMM COc1cc(C(=O)N[C@H](C)C2CCCCC2)cc(Cl)c1[O-] ZINC000443280937 338448360 /nfs/dbraw/zinc/44/83/60/338448360.db2.gz JOUHEDGPFXSVHY-SNVBAGLBSA-N -1 1 311.809 3.753 20 0 DHADMM CCOc1cc(C(=O)NC[C@@H]2CCC[C@@H]2C)cc(Cl)c1[O-] ZINC000467777741 334513975 /nfs/dbraw/zinc/51/39/75/334513975.db2.gz NDNIGSYONPBQBG-QWRGUYRKSA-N -1 1 311.809 3.610 20 0 DHADMM Cc1cnc(C(=O)N2C[C@H](C)CC[C@H]2c2ccccc2)c([O-])c1 ZINC000342762006 334574048 /nfs/dbraw/zinc/57/40/48/334574048.db2.gz WLBMJQPZGSAJLF-CJNGLKHVSA-N -1 1 310.397 3.709 20 0 DHADMM CCOc1cc(C(=O)N2C[C@H](C)[C@H](C)[C@H]2C)cc(Cl)c1[O-] ZINC000416319423 334663083 /nfs/dbraw/zinc/66/30/83/334663083.db2.gz NAHCWWUSWOTXNC-GARJFASQSA-N -1 1 311.809 3.561 20 0 DHADMM CSc1ccccc1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000188230999 334669225 /nfs/dbraw/zinc/66/92/25/334669225.db2.gz XUXFFXAVRTYQCU-UHFFFAOYSA-N -1 1 307.440 3.826 20 0 DHADMM O=c1cc(C2CC2)nc(SCc2cnn(-c3ccccc3)c2)[n-]1 ZINC000347704998 335522882 /nfs/dbraw/zinc/52/28/82/335522882.db2.gz WBWJUFMAXWJLOY-UHFFFAOYSA-N -1 1 324.409 3.538 20 0 DHADMM CC[C@H]1CCCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)CC1 ZINC000442963089 336074624 /nfs/dbraw/zinc/07/46/24/336074624.db2.gz DMNSTAYSZKIUKP-NSHDSACASA-N -1 1 311.809 3.707 20 0 DHADMM CCC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000532839409 336272717 /nfs/dbraw/zinc/27/27/17/336272717.db2.gz HFXOOYXIIPREBR-UHFFFAOYSA-N -1 1 303.745 3.891 20 0 DHADMM Cc1ccccc1Oc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000301347018 336301693 /nfs/dbraw/zinc/30/16/93/336301693.db2.gz KSHGDOPNGLESSI-UHFFFAOYSA-N -1 1 318.336 3.622 20 0 DHADMM Cc1nc(-c2ccc(N[C@H]3CC[C@H](C)CC3)nc2)[n-]c(=O)c1C ZINC000301407385 336304780 /nfs/dbraw/zinc/30/47/80/336304780.db2.gz VRXRYEQJFNMGJQ-FUKZOUPISA-N -1 1 312.417 3.852 20 0 DHADMM CC(C)c1nsc([N-]c2cnn(-c3ccccc3F)c2)n1 ZINC000301967718 336340446 /nfs/dbraw/zinc/34/04/46/336340446.db2.gz WPNWLLOGLRKJSU-UHFFFAOYSA-N -1 1 303.366 3.730 20 0 DHADMM O=c1cc(C(F)(F)F)nc(CNc2c(F)cccc2Cl)[n-]1 ZINC000193107127 336399001 /nfs/dbraw/zinc/39/90/01/336399001.db2.gz FPOYXLCMJBIJCU-UHFFFAOYSA-N -1 1 321.661 3.606 20 0 DHADMM CCCCS[C@@H](C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000354736225 336480519 /nfs/dbraw/zinc/48/05/19/336480519.db2.gz HFOLECDBJHOIAM-NSHDSACASA-N -1 1 319.430 3.643 20 0 DHADMM CN(Cc1cccc(Cl)c1)C(=O)c1c(F)ccc([O-])c1F ZINC000355545203 336513798 /nfs/dbraw/zinc/51/37/98/336513798.db2.gz LFIIWTWDHVHLFD-UHFFFAOYSA-N -1 1 311.715 3.596 20 0 DHADMM CN(Cc1ccc(Cl)cc1)C(=O)c1c(F)ccc([O-])c1F ZINC000355571255 336514595 /nfs/dbraw/zinc/51/45/95/336514595.db2.gz SKGKTNVIUXQBQF-UHFFFAOYSA-N -1 1 311.715 3.596 20 0 DHADMM CCOc1cc(C(=O)N(C)C[C@@H]2CC=CCC2)cc(Cl)c1[O-] ZINC000357993199 336605185 /nfs/dbraw/zinc/60/51/85/336605185.db2.gz UQZWPEKILCUZCX-GFCCVEGCSA-N -1 1 323.820 3.873 20 0 DHADMM COc1cc(C(=O)N(C)C2CCC(C)CC2)cc(Cl)c1[O-] ZINC000358147585 336613288 /nfs/dbraw/zinc/61/32/88/336613288.db2.gz DAWOAJMHOMJQCY-UHFFFAOYSA-N -1 1 311.809 3.705 20 0 DHADMM CCOc1cc(C(=O)N2CC[C@@H](CC3CC3)C2)cc(Cl)c1[O-] ZINC000359704038 336684345 /nfs/dbraw/zinc/68/43/45/336684345.db2.gz KNMACNPIJLOBPV-LBPRGKRZSA-N -1 1 323.820 3.707 20 0 DHADMM O=C([N-]c1nnc(-c2ccsc2)s1)c1c(F)cccc1F ZINC000363023556 336817789 /nfs/dbraw/zinc/81/77/89/336817789.db2.gz OELOEEXUZFFECL-UHFFFAOYSA-N -1 1 323.349 3.797 20 0 DHADMM CCCCCC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000482725625 339640907 /nfs/dbraw/zinc/64/09/07/339640907.db2.gz VZYHLIVRSMZBDH-UHFFFAOYSA-N -1 1 300.196 3.982 20 0 DHADMM [O-]c1ccc(-c2noc([C@H]3C[C@@H]3c3cccnc3)n2)c(Cl)c1 ZINC000373157909 336950153 /nfs/dbraw/zinc/95/01/53/336950153.db2.gz IDNVYTDYHLZQIW-OLZOCXBDSA-N -1 1 313.744 3.762 20 0 DHADMM O=C(CCSc1ccccn1)Nc1ccc([O-])c(Cl)c1 ZINC000122281568 337000769 /nfs/dbraw/zinc/00/07/69/337000769.db2.gz GXIKHUCNVRLUFH-UHFFFAOYSA-N -1 1 308.790 3.562 20 0 DHADMM CN(C(=O)c1cc(Cl)ccc1[O-])[C@@H]1CCCc2cccnc21 ZINC000375886829 337022120 /nfs/dbraw/zinc/02/21/20/337022120.db2.gz AJNPIMCQXIDJII-CQSZACIVSA-N -1 1 316.788 3.590 20 0 DHADMM [O-]c1ccc(-c2noc([C@@H]3OC[C@@H]4CCC[C@@H]43)n2)c(Cl)c1 ZINC000377781172 337060912 /nfs/dbraw/zinc/06/09/12/337060912.db2.gz MPUCHGIJUMTBNY-GMOODISLSA-N -1 1 306.749 3.583 20 0 DHADMM COC(=O)c1c[n-]c(S[C@@H]2CCCCc3ccccc32)n1 ZINC000193542800 337077988 /nfs/dbraw/zinc/07/79/88/337077988.db2.gz YCZIXCQUUMHQKK-CQSZACIVSA-N -1 1 302.399 3.756 20 0 DHADMM O=c1cc(C2CC2)nc(SCc2nc(C3CC3)cs2)[n-]1 ZINC000582763571 337137674 /nfs/dbraw/zinc/13/76/74/337137674.db2.gz IOBUORXUOZMOED-UHFFFAOYSA-N -1 1 305.428 3.686 20 0 DHADMM CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(Br)c([O-])c1 ZINC000221917857 337174004 /nfs/dbraw/zinc/17/40/04/337174004.db2.gz DGXMFNLFZMAACX-MWLCHTKSSA-N -1 1 312.207 3.558 20 0 DHADMM CCCSCC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182901655 337190573 /nfs/dbraw/zinc/19/05/73/337190573.db2.gz CVRCKGGVRKJXGP-UHFFFAOYSA-N -1 1 318.236 3.545 20 0 DHADMM Cc1cccc(CN(C)C(=O)c2cc3ccccc3cc2[O-])n1 ZINC000321292587 337255242 /nfs/dbraw/zinc/25/52/42/337255242.db2.gz OSYMJBFONVFRKU-UHFFFAOYSA-N -1 1 306.365 3.521 20 0 DHADMM CCOc1cc(C(=O)N2CC[C@H](C)[C@H](C)C2)cc(Cl)c1[O-] ZINC000186981557 337261994 /nfs/dbraw/zinc/26/19/94/337261994.db2.gz QWQFQLKUZJMXHK-WDEREUQCSA-N -1 1 311.809 3.562 20 0 DHADMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)[C@@H]1CC2CCC1CC2 ZINC000514677495 337301282 /nfs/dbraw/zinc/30/12/82/337301282.db2.gz GBCBIGHMBRPLKX-XKGSQUFQSA-N -1 1 309.356 3.615 20 0 DHADMM O=C(c1c([O-])cnc2ccccc21)N1CC[C@H](c2ccccc2)C1 ZINC000136513499 337454505 /nfs/dbraw/zinc/45/45/05/337454505.db2.gz DRRQNAGWHVYTBO-HNNXBMFYSA-N -1 1 318.376 3.570 20 0 DHADMM CC[C@@H](OC1CCCC1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000420495459 337503606 /nfs/dbraw/zinc/50/36/06/337503606.db2.gz VCYJSOGRTINJEU-CQSZACIVSA-N -1 1 306.337 3.992 20 0 DHADMM Cc1cnc(C(=O)N2CC[C@@H](c3ccccc3)C2(C)C)c([O-])c1 ZINC000422063998 337668770 /nfs/dbraw/zinc/66/87/70/337668770.db2.gz JEJUMZCWBZOTRM-HNNXBMFYSA-N -1 1 310.397 3.504 20 0 DHADMM C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(Br)cc1[O-] ZINC000044490467 337809948 /nfs/dbraw/zinc/80/99/48/337809948.db2.gz NVHJTWGZUVGJLA-UWVGGRQHSA-N -1 1 312.207 3.558 20 0 DHADMM O=S(=O)([N-]C1CCCCC1)c1cc(Cl)sc1Cl ZINC000060561023 337916214 /nfs/dbraw/zinc/91/62/14/337916214.db2.gz RMNOYFRCOXSXTI-UHFFFAOYSA-N -1 1 314.259 3.666 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H]1c1ccncc1 ZINC000093913235 337923068 /nfs/dbraw/zinc/92/30/68/337923068.db2.gz UQCYYKQHWFSJHB-GOSISDBHSA-N -1 1 318.376 3.918 20 0 DHADMM CCCOc1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000515694297 337995165 /nfs/dbraw/zinc/99/51/65/337995165.db2.gz KLAVDWZQAKBDAA-UHFFFAOYSA-N -1 1 323.389 3.724 20 0 DHADMM C[C@H](Oc1ccccc1F)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445458445 338018008 /nfs/dbraw/zinc/01/80/08/338018008.db2.gz XJNOMMFKWUXEBX-VIFPVBQESA-N -1 1 318.279 3.860 20 0 DHADMM Cc1noc(C)c1[C@@H](C)Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000445462066 338024248 /nfs/dbraw/zinc/02/42/48/338024248.db2.gz ZSWNYBSPINGLRK-QMMMGPOBSA-N -1 1 317.320 3.532 20 0 DHADMM O=C([O-])C[C@@H](NCc1cc2ccccc2o1)c1ccsc1 ZINC000426683107 338037948 /nfs/dbraw/zinc/03/79/48/338037948.db2.gz ORYQVBMFWZXYIY-CQSZACIVSA-N -1 1 301.367 3.800 20 0 DHADMM O=C([O-])C[C@@H](NCc1cc2cc(F)ccc2o1)c1ccsc1 ZINC000426690681 338038188 /nfs/dbraw/zinc/03/81/88/338038188.db2.gz CEDYKKUMQPYHBL-CQSZACIVSA-N -1 1 319.357 3.939 20 0 DHADMM O=C([O-])[C@@H](NCc1ccsc1Cl)c1cccc(Cl)c1 ZINC000426738339 338040159 /nfs/dbraw/zinc/04/01/59/338040159.db2.gz VKYNCPUPUSKPIQ-NSHDSACASA-N -1 1 316.209 3.970 20 0 DHADMM COC(=O)c1c[n-]c(SCCCc2ccc(Cl)cc2)n1 ZINC000432670807 338162007 /nfs/dbraw/zinc/16/20/07/338162007.db2.gz UCTRTHIDYSGOGO-UHFFFAOYSA-N -1 1 310.806 3.575 20 0 DHADMM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1ccccc1F ZINC000433125409 338182475 /nfs/dbraw/zinc/18/24/75/338182475.db2.gz JVBWBMZYELMSKZ-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM COc1ccc(C(=O)Nc2ccc(COC(C)C)cc2)c([O-])c1 ZINC000194293867 338190938 /nfs/dbraw/zinc/19/09/38/338190938.db2.gz LODLHLFKFMBSLY-UHFFFAOYSA-N -1 1 315.369 3.578 20 0 DHADMM CCc1cccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)c1 ZINC000433504388 338196010 /nfs/dbraw/zinc/19/60/10/338196010.db2.gz WAAJRTQFMMKTHS-UHFFFAOYSA-N -1 1 318.423 3.660 20 0 DHADMM O=S(=O)([N-][C@H]1CC=CCC1)c1c(Cl)cc(F)cc1Cl ZINC000435432664 338240004 /nfs/dbraw/zinc/24/00/04/338240004.db2.gz OEBNATRDLALLTG-VIFPVBQESA-N -1 1 324.204 3.520 20 0 DHADMM COc1cc(C(=O)N2Cc3ccc(C)cc3C2)cc(Cl)c1[O-] ZINC000435941288 338253717 /nfs/dbraw/zinc/25/37/17/338253717.db2.gz JQNKIOGROUFZSY-UHFFFAOYSA-N -1 1 317.772 3.519 20 0 DHADMM CCc1cc(=O)[n-]c(S[C@@H](CCOC)c2ccccc2)n1 ZINC000436197582 338261555 /nfs/dbraw/zinc/26/15/55/338261555.db2.gz MPGHBWIEPLJIRZ-AWEZNQCLSA-N -1 1 304.415 3.615 20 0 DHADMM COC(=O)c1ccc([O-])c(NC(=O)c2cccc3ccccc32)c1 ZINC000436502401 338274558 /nfs/dbraw/zinc/27/45/58/338274558.db2.gz DSCNKMJUUPQXBB-UHFFFAOYSA-N -1 1 321.332 3.584 20 0 DHADMM O=C(Nc1cccc2[nH]cnc21)c1ccc2ccccc2c1[O-] ZINC000436526855 338275175 /nfs/dbraw/zinc/27/51/75/338275175.db2.gz GTYWKSILDCMEGT-UHFFFAOYSA-N -1 1 303.321 3.674 20 0 DHADMM O=C(Nc1cccc2[nH]cnc21)c1cc2ccccc2cc1[O-] ZINC000436539912 338276048 /nfs/dbraw/zinc/27/60/48/338276048.db2.gz VAPYBHQURRTSPK-UHFFFAOYSA-N -1 1 303.321 3.674 20 0 DHADMM C[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])c2ccccc2O1 ZINC000436541473 338276195 /nfs/dbraw/zinc/27/61/95/338276195.db2.gz XPKGCJJPPQYRIV-ZDUSSCGKSA-N -1 1 319.360 3.973 20 0 DHADMM COC1CCC(N(C)C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000436555773 338276936 /nfs/dbraw/zinc/27/69/36/338276936.db2.gz PJASMEXGFHRAMJ-UHFFFAOYSA-N -1 1 313.397 3.575 20 0 DHADMM Cc1ccc(CN(C(=O)c2cc(F)ccc2[O-])C2CC2)cc1C ZINC000436560671 338277082 /nfs/dbraw/zinc/27/70/82/338277082.db2.gz GHEJMYMLQGJSGI-UHFFFAOYSA-N -1 1 313.372 3.953 20 0 DHADMM O=C(Nc1nnc(CC2CCCCC2)s1)c1ccccc1[O-] ZINC000436567638 338277479 /nfs/dbraw/zinc/27/74/79/338277479.db2.gz ZLMSMRBLFHKZGQ-UHFFFAOYSA-N -1 1 317.414 3.619 20 0 DHADMM COCc1cccc(CNC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436567922 338277515 /nfs/dbraw/zinc/27/75/15/338277515.db2.gz ZDWWOMXEPYPAOD-UHFFFAOYSA-N -1 1 321.376 3.622 20 0 DHADMM O=C(Nc1cc(F)ccc1OCC1CC1)c1ccccc1[O-] ZINC000436566981 338277540 /nfs/dbraw/zinc/27/75/40/338277540.db2.gz NLXODBSJHMYPRX-UHFFFAOYSA-N -1 1 301.317 3.572 20 0 DHADMM CSCCc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000436567603 338277552 /nfs/dbraw/zinc/27/75/52/338277552.db2.gz ZFHLVXVSVHEPLF-UHFFFAOYSA-N -1 1 305.374 3.689 20 0 DHADMM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cc(F)ccc2[O-])C1 ZINC000436578355 338278030 /nfs/dbraw/zinc/27/80/30/338278030.db2.gz WMPYONUUEWBGJR-BZNIZROVSA-N -1 1 317.335 3.894 20 0 DHADMM O=C(NCc1ccc(-c2cccnc2)cc1)c1cc(F)ccc1[O-] ZINC000436579007 338278171 /nfs/dbraw/zinc/27/81/71/338278171.db2.gz YNACHYDMIQRWNV-UHFFFAOYSA-N -1 1 322.339 3.523 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H](c2ccc(F)cc2)C1 ZINC000436587601 338278483 /nfs/dbraw/zinc/27/84/83/338278483.db2.gz PQBARCOOGDTVKP-LBPRGKRZSA-N -1 1 319.763 3.814 20 0 DHADMM CC(C)c1nc(CCNC(=O)c2ccc(Cl)cc2[O-])cs1 ZINC000436722232 338284155 /nfs/dbraw/zinc/28/41/55/338284155.db2.gz ILDOWOADPDYCJE-UHFFFAOYSA-N -1 1 324.833 3.598 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1Cc2cccc(Cl)c2C1 ZINC000436733593 338284686 /nfs/dbraw/zinc/28/46/86/338284686.db2.gz XHRJHEMKHBNJAC-UHFFFAOYSA-N -1 1 308.164 3.855 20 0 DHADMM CC1(C)CN(C(=O)c2cc(F)ccc2[O-])[C@H]1c1cccs1 ZINC000436745562 338285178 /nfs/dbraw/zinc/28/51/78/338285178.db2.gz CSXMBTGSPCNUBI-AWEZNQCLSA-N -1 1 305.374 3.816 20 0 DHADMM CC[C@H]1C[C@H](C)CN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436750835 338285412 /nfs/dbraw/zinc/28/54/12/338285412.db2.gz HNHQTZDQVJCQQD-ONGXEEELSA-N -1 1 301.308 3.672 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@H]1c1ccccc1 ZINC000436764708 338286380 /nfs/dbraw/zinc/28/63/80/338286380.db2.gz SVICOHKEBHLERK-AWEZNQCLSA-N -1 1 321.298 3.998 20 0 DHADMM NC(=O)c1cc(-c2csc(C3CCCCC3)n2)ccc1[O-] ZINC000436773424 338286874 /nfs/dbraw/zinc/28/68/74/338286874.db2.gz RLPZVEKZLGVJNU-UHFFFAOYSA-N -1 1 302.399 3.662 20 0 DHADMM CC(C)(C)Oc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)nc1 ZINC000436779201 338286936 /nfs/dbraw/zinc/28/69/36/338286936.db2.gz UNPVKYXEWPWPNH-UHFFFAOYSA-N -1 1 320.776 3.870 20 0 DHADMM Cc1cccc2c1N(C(=O)c1ccc(C(F)(F)F)cc1[O-])CC2 ZINC000436804389 338287927 /nfs/dbraw/zinc/28/79/27/338287927.db2.gz UPJRHMSBYYZOKW-UHFFFAOYSA-N -1 1 321.298 3.922 20 0 DHADMM C[C@@H](CCCC(F)(F)F)NC(=O)c1ccc(Cl)cc1[O-] ZINC000436818527 338288407 /nfs/dbraw/zinc/28/84/07/338288407.db2.gz VPKADFJGDIFKKG-QMMMGPOBSA-N -1 1 309.715 3.897 20 0 DHADMM Cc1cccc(CCCNC(=O)c2cc3ccccc3cc2[O-])n1 ZINC000436827788 338288731 /nfs/dbraw/zinc/28/87/31/338288731.db2.gz OQFWJHCAPBPONZ-UHFFFAOYSA-N -1 1 320.392 3.611 20 0 DHADMM CC(C)(C)[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000436835850 338289108 /nfs/dbraw/zinc/28/91/08/338289108.db2.gz FUETUGRRODJQSN-NSHDSACASA-N -1 1 315.335 3.919 20 0 DHADMM O=C(N[C@@H](C1CC1)C(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000436842303 338289731 /nfs/dbraw/zinc/28/97/31/338289731.db2.gz CTXFDEHWMSTCQQ-AWEZNQCLSA-N -1 1 309.287 3.616 20 0 DHADMM CC(C)(CNC(=O)c1ccc([O-])cc1F)c1cccc(Cl)c1 ZINC000436871541 338290719 /nfs/dbraw/zinc/29/07/19/338290719.db2.gz QEKXQKPUTHSQPX-UHFFFAOYSA-N -1 1 321.779 3.892 20 0 DHADMM O=C(Nc1nc2c(s1)CCCCCC2)c1ccc([O-])cc1F ZINC000436869891 338290873 /nfs/dbraw/zinc/29/08/73/338290873.db2.gz LTEIVYSJARTMIS-UHFFFAOYSA-N -1 1 320.389 3.899 20 0 DHADMM [O-]c1ccc(-c2noc(/C=C/c3cncs3)n2)c(Cl)c1 ZINC000436873729 338290904 /nfs/dbraw/zinc/29/09/04/338290904.db2.gz QTZFJAWTXYAYBJ-DUXPYHPUSA-N -1 1 305.746 3.723 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(CC(F)(F)F)CC1 ZINC000436888347 338291879 /nfs/dbraw/zinc/29/18/79/338291879.db2.gz TXPAZXMVFGQISF-UHFFFAOYSA-N -1 1 321.726 3.850 20 0 DHADMM O=C(NC[C@@H]1CCC(F)(F)C1)c1ccc2ccccc2c1[O-] ZINC000436903184 338292846 /nfs/dbraw/zinc/29/28/46/338292846.db2.gz VMGPWVHWVAQWHZ-LLVKDONJSA-N -1 1 305.324 3.711 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC(C2CCCC2)C1 ZINC000436913674 338293342 /nfs/dbraw/zinc/29/33/42/338293342.db2.gz WIPWBYRWVHKIMR-UHFFFAOYSA-N -1 1 313.319 3.673 20 0 DHADMM CC(C)C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1cccs1 ZINC000436930434 338294001 /nfs/dbraw/zinc/29/40/01/338294001.db2.gz HVNWGCCOHMTLLX-AWEZNQCLSA-N -1 1 317.410 3.540 20 0 DHADMM C[C@@H](Oc1ccccc1)c1noc(-c2cc(F)ccc2[O-])n1 ZINC000436928631 338294132 /nfs/dbraw/zinc/29/41/32/338294132.db2.gz BQTCKAOWLOLXAQ-SNVBAGLBSA-N -1 1 300.289 3.721 20 0 DHADMM COc1ccc(-c2nc(C[C@H](C)c3ccccc3)no2)c([O-])c1 ZINC000436943414 338294905 /nfs/dbraw/zinc/29/49/05/338294905.db2.gz FXVNSJMURVKXNS-LBPRGKRZSA-N -1 1 310.353 3.797 20 0 DHADMM Cc1[nH]c2ccc(CNC(=O)c3c([O-])cccc3F)cc2c1C ZINC000436942397 338294917 /nfs/dbraw/zinc/29/49/17/338294917.db2.gz HANWHQGJZOQZSC-UHFFFAOYSA-N -1 1 312.344 3.559 20 0 DHADMM CC(C)Oc1cccc([C@H](C)NC(=O)c2c([O-])cccc2F)c1 ZINC000436948571 338295307 /nfs/dbraw/zinc/29/53/07/338295307.db2.gz XADHYMUHJHVUJC-LBPRGKRZSA-N -1 1 317.360 3.810 20 0 DHADMM Cc1ccc(CCc2nc(-c3ccc([O-])c(F)c3)no2)s1 ZINC000436955227 338295780 /nfs/dbraw/zinc/29/57/80/338295780.db2.gz JPHZFWPYAWIANN-UHFFFAOYSA-N -1 1 304.346 3.736 20 0 DHADMM Cc1c(NC(=O)c2ccc(C(C)C)cc2[O-])cnn1CC(C)C ZINC000436966969 338296200 /nfs/dbraw/zinc/29/62/00/338296200.db2.gz RUBYJJQJHLKYAF-UHFFFAOYSA-N -1 1 315.417 3.929 20 0 DHADMM Cc1oc2ccccc2c1CCNC(=O)c1c([O-])cccc1F ZINC000436985906 338296799 /nfs/dbraw/zinc/29/67/99/338296799.db2.gz DKPHLZCDUVYQPK-UHFFFAOYSA-N -1 1 313.328 3.558 20 0 DHADMM Cc1ccc(F)c(CN(C)C(=O)c2cc(Cl)ccc2[O-])c1 ZINC000436996323 338297169 /nfs/dbraw/zinc/29/71/69/338297169.db2.gz BMITUIMHSHWHIB-UHFFFAOYSA-N -1 1 307.752 3.765 20 0 DHADMM CCc1ccc(CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1 ZINC000439070802 338360185 /nfs/dbraw/zinc/36/01/85/338360185.db2.gz NBTGEMMNBOONBR-UHFFFAOYSA-N -1 1 321.380 3.526 20 0 DHADMM Cc1c2ccccc2oc1[C@H](NC(=O)c1cncc([O-])c1)C(C)C ZINC000439759531 338377263 /nfs/dbraw/zinc/37/72/63/338377263.db2.gz UAVOTMWPTIEBBM-QGZVFWFLSA-N -1 1 324.380 3.969 20 0 DHADMM CC[C@H](C)[C@H](NC(=O)c1cncc([O-])c1)c1ccc(Cl)cc1 ZINC000440036221 338382803 /nfs/dbraw/zinc/38/28/03/338382803.db2.gz AHXRXQWESRECQP-ZBEGNZNMSA-N -1 1 318.804 3.958 20 0 DHADMM CCCC(O)(CCC)CNC(=O)c1ccc2ccccc2c1[O-] ZINC000440208585 338384248 /nfs/dbraw/zinc/38/42/48/338384248.db2.gz AJOKWHBDOJNNAN-UHFFFAOYSA-N -1 1 315.413 3.607 20 0 DHADMM COc1cc(C(=O)Nc2ccc3cc[nH]c3c2)cc(Cl)c1[O-] ZINC000447642990 338562592 /nfs/dbraw/zinc/56/25/92/338562592.db2.gz IKOIWZHVHVQXDR-UHFFFAOYSA-N -1 1 316.744 3.788 20 0 DHADMM O=c1cc(C(F)(F)F)nc(SC[C@@H]2CCCC2(F)F)[n-]1 ZINC000450833996 338707514 /nfs/dbraw/zinc/70/75/14/338707514.db2.gz CIKWHCZXXCMLGM-LURJTMIESA-N -1 1 314.279 3.729 20 0 DHADMM CCc1cc(=O)[n-]c(SCc2ccc(Cl)c(OC)c2)n1 ZINC000450914373 338712197 /nfs/dbraw/zinc/71/21/97/338712197.db2.gz XBZIKGMIUOKGCG-UHFFFAOYSA-N -1 1 310.806 3.699 20 0 DHADMM CC[C@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)C1CCCC1 ZINC000456706607 338937633 /nfs/dbraw/zinc/93/76/33/338937633.db2.gz URWFMRXEAFTZSX-ZDUSSCGKSA-N -1 1 311.809 3.753 20 0 DHADMM C[C@](Cc1ccccc1)(NC(=O)c1ccc([O-])cc1F)C1CC1 ZINC000457053552 338949662 /nfs/dbraw/zinc/94/96/62/338949662.db2.gz USRVLPUTLVMWIQ-LJQANCHMSA-N -1 1 313.372 3.673 20 0 DHADMM COc1cc(C(=O)NCC(C)(C)C2=CCCC2)cc(Cl)c1[O-] ZINC000457164550 338954089 /nfs/dbraw/zinc/95/40/89/338954089.db2.gz UFLGJRGRDQFVFZ-UHFFFAOYSA-N -1 1 323.820 3.921 20 0 DHADMM CCOc1cc(C(=O)N[C@@H]2C[C@H]2CC(C)C)cc(Cl)c1[O-] ZINC000458004693 338985610 /nfs/dbraw/zinc/98/56/10/338985610.db2.gz JEHXQMFONFRCJU-ZWNOBZJWSA-N -1 1 311.809 3.609 20 0 DHADMM [O-]c1cccc(CN2CC(COc3ccccc3)C2)c1Cl ZINC000459631867 339039393 /nfs/dbraw/zinc/03/93/93/339039393.db2.gz LGRIEWKVUMAOOQ-UHFFFAOYSA-N -1 1 303.789 3.556 20 0 DHADMM COc1cccc([C@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)c1 ZINC000470439583 339319741 /nfs/dbraw/zinc/31/97/41/339319741.db2.gz XBUCZKHOYGONGH-JTQLQIEISA-N -1 1 302.399 3.922 20 0 DHADMM O=S(=O)([N-][C@H]1CC=CCC1)c1ccc(Cl)c(F)c1Cl ZINC000473861267 339393583 /nfs/dbraw/zinc/39/35/83/339393583.db2.gz VYPFPIYAONPEAF-QMMMGPOBSA-N -1 1 324.204 3.520 20 0 DHADMM CCc1cccc(S(=O)(=O)[N-]c2cc(OC)c(C)cc2C)c1 ZINC000478679060 339520461 /nfs/dbraw/zinc/52/04/61/339520461.db2.gz QDRFQAFQJKVTSJ-UHFFFAOYSA-N -1 1 319.426 3.675 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)C2CCCCC2)c1 ZINC000482602937 339637220 /nfs/dbraw/zinc/63/72/20/339637220.db2.gz HPVAHOGYTZKANK-UHFFFAOYSA-N -1 1 312.207 3.982 20 0 DHADMM CC[C@@H](NC(=O)c1ccc(Br)c([O-])c1)C(C)(C)C ZINC000488944224 339797689 /nfs/dbraw/zinc/79/76/89/339797689.db2.gz SHJDTJPYWSJANK-GFCCVEGCSA-N -1 1 314.223 3.709 20 0 DHADMM C[C@@H](CC(=O)Nc1ccc(F)cc1[O-])c1ccc(F)cc1F ZINC000505625314 340173328 /nfs/dbraw/zinc/17/33/28/340173328.db2.gz KJJIXMLBXWRDOP-VIFPVBQESA-N -1 1 309.287 3.942 20 0 DHADMM C[C@H](CC(=O)Nc1ccc(F)cc1[O-])c1ccc(F)cc1F ZINC000505625313 340173333 /nfs/dbraw/zinc/17/33/33/340173333.db2.gz KJJIXMLBXWRDOP-SECBINFHSA-N -1 1 309.287 3.942 20 0 DHADMM CSc1cccc(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000509100151 340261284 /nfs/dbraw/zinc/26/12/84/340261284.db2.gz PSDHXOBXTIUTCL-UHFFFAOYSA-N -1 1 307.440 3.826 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)cc1 ZINC000509604263 340274519 /nfs/dbraw/zinc/27/45/19/340274519.db2.gz SLSXPNHTIVIXLP-UHFFFAOYSA-N -1 1 311.353 3.987 20 0 DHADMM O=C(NCc1cccc2cccnc21)c1cc(Cl)ccc1[O-] ZINC000303013556 340295383 /nfs/dbraw/zinc/29/53/83/340295383.db2.gz ROEREXKSHKBKKT-UHFFFAOYSA-N -1 1 312.756 3.524 20 0 DHADMM C[C@H](CC1CCCCC1)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000511164321 340322990 /nfs/dbraw/zinc/32/29/90/340322990.db2.gz GPCKPAJUQNLRBR-LLVKDONJSA-N -1 1 302.378 3.610 20 0 DHADMM C[C@@H](CNC(=O)c1cc2ccccc2cc1[O-])Oc1ccccc1 ZINC000303666206 340341023 /nfs/dbraw/zinc/34/10/23/340341023.db2.gz WJCKLIXXYIWTQJ-AWEZNQCLSA-N -1 1 321.376 3.743 20 0 DHADMM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000512005848 340345092 /nfs/dbraw/zinc/34/50/92/340345092.db2.gz IUMVJXUSDYKBOF-RQJHMYQMSA-N -1 1 316.275 3.768 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c(C)c1O ZINC000172886062 340346209 /nfs/dbraw/zinc/34/62/09/340346209.db2.gz IMSDHZQLBKTGHR-UHFFFAOYSA-N -1 1 319.426 3.933 20 0 DHADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000229338959 340612770 /nfs/dbraw/zinc/61/27/70/340612770.db2.gz DCVZOUOXSJVOLA-UHFFFAOYSA-N -1 1 311.353 3.691 20 0 DHADMM CSCCCCCNC(=O)c1cc2ccccc2cc1[O-] ZINC000229596563 340614324 /nfs/dbraw/zinc/61/43/24/340614324.db2.gz KAKLLDDSTWWZRE-UHFFFAOYSA-N -1 1 303.427 3.809 20 0 DHADMM [O-]c1ccc(-c2nc(Cc3cccc(Cl)c3)no2)c(F)c1 ZINC000230225924 340619337 /nfs/dbraw/zinc/61/93/37/340619337.db2.gz WTAZZFFRQDBKKU-UHFFFAOYSA-N -1 1 304.708 3.826 20 0 DHADMM CCC(=O)C1(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CC1 ZINC000529538394 340760790 /nfs/dbraw/zinc/76/07/90/340760790.db2.gz BTARCZBKPNEBRV-UHFFFAOYSA-N -1 1 317.772 3.897 20 0 DHADMM COCC1(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CC1 ZINC000529539031 340761057 /nfs/dbraw/zinc/76/10/57/340761057.db2.gz NZIUSFOBVPOTET-UHFFFAOYSA-N -1 1 305.761 3.564 20 0 DHADMM O=C(CC[C@@H]1CCOC1)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529539393 340761262 /nfs/dbraw/zinc/76/12/62/340761262.db2.gz ROLLRUHZUMLMIP-LLVKDONJSA-N -1 1 319.788 3.954 20 0 DHADMM C[C@@H]1c2c(F)cccc2CCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000538761187 340848990 /nfs/dbraw/zinc/84/89/90/340848990.db2.gz OSVNZAYIBCMOAU-SNVBAGLBSA-N -1 1 319.763 3.944 20 0 DHADMM Cc1cccc([C@H](C)NC(=O)c2c(F)ccc([O-])c2F)c1C ZINC000539426149 340885112 /nfs/dbraw/zinc/88/51/12/340885112.db2.gz KEMGKVUVBJKNGH-NSHDSACASA-N -1 1 305.324 3.778 20 0 DHADMM COc1ccc(C(=O)Nc2c(C)noc2-c2ccccc2)c([O-])c1 ZINC000130956749 341054966 /nfs/dbraw/zinc/05/49/66/341054966.db2.gz LJHJTRHBLYIALS-UHFFFAOYSA-N -1 1 324.336 3.617 20 0 DHADMM Cn1cc(CC(=O)Nc2ccc([O-])c(Cl)c2)c2ccccc21 ZINC000543746601 341056569 /nfs/dbraw/zinc/05/65/69/341056569.db2.gz IMDHZSZSDKNVOU-UHFFFAOYSA-N -1 1 314.772 3.719 20 0 DHADMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000131040442 341057063 /nfs/dbraw/zinc/05/70/63/341057063.db2.gz ZBZRHTSKRMAVIU-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM CCc1noc(C)c1[N-]C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000132922684 341149503 /nfs/dbraw/zinc/14/95/03/341149503.db2.gz RDJKBFWCBRRWCC-UHFFFAOYSA-N -1 1 315.304 3.592 20 0 DHADMM O=S(=O)(c1ccc([O-])cc1)[C@@H]1CCc2c1cccc2Cl ZINC000133152966 341158273 /nfs/dbraw/zinc/15/82/73/341158273.db2.gz JVBDXPALAYASRU-OAHLLOKOSA-N -1 1 308.786 3.507 20 0 DHADMM Cc1cc(C)cc([C@H]2CCN(C(=O)c3ccc([O-])cc3F)C2)c1 ZINC000133771045 341186496 /nfs/dbraw/zinc/18/64/96/341186496.db2.gz RKAUSCOAQIXGBP-AWEZNQCLSA-N -1 1 313.372 3.778 20 0 DHADMM CCCc1nnc([N-]C(=O)c2cc(F)c(Cl)cc2F)s1 ZINC000134220103 341210007 /nfs/dbraw/zinc/21/00/07/341210007.db2.gz XMBMTPGQZCIMLX-UHFFFAOYSA-N -1 1 317.748 3.675 20 0 DHADMM CCSCC[C@H](C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000135394171 341238505 /nfs/dbraw/zinc/23/85/05/341238505.db2.gz OJXYBCXSWUZQHK-LBPRGKRZSA-N -1 1 303.427 3.807 20 0 DHADMM CCc1cc(=O)[n-]c(SCc2ccc(C(C)C)nc2C)n1 ZINC000549389738 341293023 /nfs/dbraw/zinc/29/30/23/341293023.db2.gz NUVGXEIQPPKHOF-UHFFFAOYSA-N -1 1 303.431 3.864 20 0 DHADMM O=C(Cc1coc2ccccc12)Nc1ccc([O-])c(Cl)c1 ZINC000552366406 341389301 /nfs/dbraw/zinc/38/93/01/341389301.db2.gz AXOKVWWCJAZSJX-UHFFFAOYSA-N -1 1 301.729 3.973 20 0 DHADMM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1ccc(Cl)o1 ZINC000255038964 341499474 /nfs/dbraw/zinc/49/94/74/341499474.db2.gz WMPJYSSPTUUPRF-UTCJRWHESA-N -1 1 321.745 3.800 20 0 DHADMM CC(C)(C)C[C@H](NC(=O)c1ccc([O-])cc1F)C(F)(F)F ZINC000155720119 518689192 /nfs/dbraw/zinc/68/91/92/518689192.db2.gz CAWUPBSPZNJHOC-NSHDSACASA-N -1 1 307.287 3.628 20 0 DHADMM CC(C)(C)c1nsc([N-]C(=O)c2ccc(F)c(F)c2F)n1 ZINC000267503569 519139747 /nfs/dbraw/zinc/13/97/47/519139747.db2.gz ZYCFOUUOICEUKA-UHFFFAOYSA-N -1 1 315.320 3.505 20 0 DHADMM COc1cccc([C@H]2CCCN2C(=O)c2ccc([O-])cc2F)c1 ZINC000181086300 524178211 /nfs/dbraw/zinc/17/82/11/524178211.db2.gz AQMHRMQREVKFQW-QGZVFWFLSA-N -1 1 315.344 3.517 20 0 DHADMM Cc1ccc(Oc2ccc(NC(=O)c3cncc([O-])c3)cn2)cc1 ZINC000111591509 525477547 /nfs/dbraw/zinc/47/75/47/525477547.db2.gz NMFQLLWVBVQSQO-UHFFFAOYSA-N -1 1 321.336 3.535 20 0 DHADMM [O-]c1cccc(CNCc2ccn(C3CCCC3)n2)c1Cl ZINC000339304852 526360506 /nfs/dbraw/zinc/36/05/06/526360506.db2.gz OMCYPTHECFEZAC-UHFFFAOYSA-N -1 1 305.809 3.647 20 0 DHADMM [O-]c1cccc(CNc2ccc(-n3ccnc3)c(F)c2)c1Cl ZINC000339303649 526360533 /nfs/dbraw/zinc/36/05/33/526360533.db2.gz SIZWRFYJEUUOCO-UHFFFAOYSA-N -1 1 317.751 3.983 20 0 DHADMM O=c1nc(CN2CCC3(C2)CCCCC3)[n-]c2ccsc21 ZINC000265995610 526376751 /nfs/dbraw/zinc/37/67/51/526376751.db2.gz HGVHMFWVJDNTPW-UHFFFAOYSA-N -1 1 303.431 3.553 20 0 DHADMM Cn1c(=O)ccc2ccc(NCc3cccc([O-])c3Cl)cc21 ZINC000339379560 527030943 /nfs/dbraw/zinc/03/09/43/527030943.db2.gz MYEIHEQNMRLUIA-UHFFFAOYSA-N -1 1 314.772 3.510 20 0 DHADMM O=C(Nc1cc(F)ccc1Oc1ccccc1)c1cncc([O-])c1 ZINC000339927719 527128905 /nfs/dbraw/zinc/12/89/05/527128905.db2.gz AHJFYGKZTVNAIW-UHFFFAOYSA-N -1 1 324.311 3.971 20 0 DHADMM Cc1ncc(C(=O)Nc2ccc([O-])c(Cl)c2)c(C(C)C)n1 ZINC000182878973 527244304 /nfs/dbraw/zinc/24/43/04/527244304.db2.gz OYOPWOHWKJKRAG-UHFFFAOYSA-N -1 1 305.765 3.520 20 0 DHADMM O=C(NC1CC1)c1cccc(NCc2cccc([O-])c2Cl)c1 ZINC000336886894 527497129 /nfs/dbraw/zinc/49/71/29/527497129.db2.gz CJHGPXMZHOYBLJ-UHFFFAOYSA-N -1 1 316.788 3.550 20 0 DHADMM O=C([N-]c1nc(-c2ccsc2)ns1)c1ccc(Cl)o1 ZINC000109109679 527503980 /nfs/dbraw/zinc/50/39/80/527503980.db2.gz QHRQJKYWDLFJQN-UHFFFAOYSA-N -1 1 311.775 3.765 20 0 DHADMM CCCN(C(=O)C(=O)c1ccc([O-])cc1)[C@H]1CCc2ccccc21 ZINC000287886481 535197103 /nfs/dbraw/zinc/19/71/03/535197103.db2.gz ZQZIHFVVMVBPSB-SFHVURJKSA-N -1 1 323.392 3.501 20 0 DHADMM CC(C)CCc1nc(CN2CCCC[C@H]2CC(=O)[O-])cs1 ZINC000650506229 599753241 /nfs/dbraw/zinc/75/32/41/599753241.db2.gz DHYMWYLSUJBSPD-AWEZNQCLSA-N -1 1 310.463 3.561 20 0 DHADMM C[C@H](Sc1cccc(F)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000736193902 598242698 /nfs/dbraw/zinc/24/26/98/598242698.db2.gz UJNZIZXPTXEGRP-VIFPVBQESA-N -1 1 318.352 3.998 20 0 DHADMM CC(C)Cc1ccc([C@@H](C)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000735850964 599394403 /nfs/dbraw/zinc/39/44/03/599394403.db2.gz WQFINXCIOGHBPN-CYBMUJFWSA-N -1 1 322.416 3.633 20 0 DHADMM CC(C)Cc1ccc([C@@H](C)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000735850964 599394405 /nfs/dbraw/zinc/39/44/05/599394405.db2.gz WQFINXCIOGHBPN-CYBMUJFWSA-N -1 1 322.416 3.633 20 0 DHADMM CN(Cc1cc(C(=O)[O-])co1)Cc1ccc(C(C)(C)C)cc1 ZINC000737471387 599844986 /nfs/dbraw/zinc/84/49/86/599844986.db2.gz XOBCCWREALLBHM-UHFFFAOYSA-N -1 1 301.386 3.907 20 0 DHADMM CCOc1ccc([C@@H]2CCCN2Cc2cc(C(=O)[O-])co2)cc1 ZINC000652380637 599845542 /nfs/dbraw/zinc/84/55/42/599845542.db2.gz CNRGNYZCBJMVSP-KRWDZBQOSA-N -1 1 315.369 3.714 20 0 DHADMM CC(C)CN(Cc1cc(C(=O)[O-])co1)Cc1ccccc1F ZINC000736432376 599848756 /nfs/dbraw/zinc/84/87/56/599848756.db2.gz LATQZTKVIVALDK-UHFFFAOYSA-N -1 1 305.349 3.775 20 0 DHADMM Cc1ccc([C@H]2CSCCN2Cc2ccoc2C(=O)[O-])cc1 ZINC000576405017 600217763 /nfs/dbraw/zinc/21/77/63/600217763.db2.gz ABQNPFCJYJTJCI-OAHLLOKOSA-N -1 1 317.410 3.576 20 0 DHADMM CC[C@@H]1CN(Cc2c3ccccc3sc2C(=O)[O-])C[C@@H](C)O1 ZINC000736945431 600332424 /nfs/dbraw/zinc/33/24/24/600332424.db2.gz XHPYAHXLFYGAGX-VXGBXAGGSA-N -1 1 319.426 3.599 20 0 DHADMM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000739517716 600398768 /nfs/dbraw/zinc/39/87/68/600398768.db2.gz QRCGMYZPBFFPDZ-CMPLNLGQSA-N -1 1 321.726 3.740 20 0 DHADMM CC[C@H](N[C@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000736918823 600453095 /nfs/dbraw/zinc/45/30/95/600453095.db2.gz ALNONDPGAVOTDF-HOTGVXAUSA-N -1 1 305.324 3.831 20 0 DHADMM CN(Cc1ccc(C(=O)[O-])cc1)c1ccnc2cc(F)ccc21 ZINC000737471306 600637669 /nfs/dbraw/zinc/63/76/69/600637669.db2.gz SRGKBODZUPKRCI-UHFFFAOYSA-N -1 1 310.328 3.709 20 0 DHADMM O=C([O-])[C@H](N[C@@H]1CCSc2ccccc21)c1ccccc1F ZINC000833166401 600733929 /nfs/dbraw/zinc/73/39/29/600733929.db2.gz GTFHYJXRKPFTMC-GDBMZVCRSA-N -1 1 317.385 3.778 20 0 DHADMM COc1ccc(C)cc1[C@H](C)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000832251847 600734544 /nfs/dbraw/zinc/73/45/44/600734544.db2.gz DAOGXQSEEDQHFB-YVEFUNNKSA-N -1 1 317.360 3.619 20 0 DHADMM CCCOc1cccc(CN[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000426773120 600739038 /nfs/dbraw/zinc/73/90/38/600739038.db2.gz IHVUIXYYFDGFBX-KRWDZBQOSA-N -1 1 317.360 3.530 20 0 DHADMM O=C([O-])c1cccc(-c2nc(CN3C4CCC3CC4)cs2)c1 ZINC000833325865 600817833 /nfs/dbraw/zinc/81/78/33/600817833.db2.gz ADBPHDCNPZDMJO-UHFFFAOYSA-N -1 1 314.410 3.635 20 0 DHADMM C/C(=C\CN1CCC[C@H]1c1cccc(Br)c1)C(=O)[O-] ZINC000825741268 601052137 /nfs/dbraw/zinc/05/21/37/601052137.db2.gz LEZAYZBOUJBSRI-OIOXUXFSSA-N -1 1 324.218 3.617 20 0 DHADMM C/C(=C\CN1CCC[C@H]1c1ccc(Br)cc1)C(=O)[O-] ZINC000825742449 601158063 /nfs/dbraw/zinc/15/80/63/601158063.db2.gz ZFGMHNFBACAWAF-ZHZWZMEUSA-N -1 1 324.218 3.617 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN1CCCC[C@@H]1c1ccco1 ZINC000830369677 601419282 /nfs/dbraw/zinc/41/92/82/601419282.db2.gz SIYSVTDLQRQGSI-CYBMUJFWSA-N -1 1 303.358 3.860 20 0 DHADMM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1C[C@@H]2CCC[C@H]21 ZINC000833171786 602049669 /nfs/dbraw/zinc/04/96/69/602049669.db2.gz PWBBTTUKOHZVKS-CKLFPEKLSA-N -1 1 300.185 3.603 20 0 DHADMM O=C([O-])c1cc(CN2CCC[C@H]2c2ccccc2Cl)c[nH]1 ZINC000833779206 604535926 /nfs/dbraw/zinc/53/59/26/604535926.db2.gz KUJWHYTYPJHHPE-HNNXBMFYSA-N -1 1 304.777 3.703 20 0 DHADMM C[C@@H]1CN(Cc2cc(C(F)(F)F)ccc2Cl)C[C@@H]1C(=O)[O-] ZINC000833630500 604665795 /nfs/dbraw/zinc/66/57/95/604665795.db2.gz UIOSPQTZXSUMRJ-KCJUWKMLSA-N -1 1 321.726 3.511 20 0 DHADMM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1Cc1occc1C(=O)[O-] ZINC000517382540 604721925 /nfs/dbraw/zinc/72/19/25/604721925.db2.gz YSRYLRTUPXRYIY-WDEREUQCSA-N -1 1 303.333 3.625 20 0 DHADMM O=C([O-])CCCN(Cc1cnc(Cl)s1)Cc1ccccc1 ZINC000833226928 604786552 /nfs/dbraw/zinc/78/65/52/604786552.db2.gz TXQFGXJGOYGRSS-UHFFFAOYSA-N -1 1 324.833 3.664 20 0 DHADMM CC(C)(C(=O)[O-])[C@H]1CCCN(c2ccnc3cc(F)ccc32)C1 ZINC000833419813 604873427 /nfs/dbraw/zinc/87/34/27/604873427.db2.gz VVFWRLVLPKNIHB-LBPRGKRZSA-N -1 1 316.376 3.701 20 0 DHADMM CC[C@@H](NCc1cc(C)c(C(=O)[O-])o1)c1ccc(OC)cc1 ZINC000833643414 605062784 /nfs/dbraw/zinc/06/27/84/605062784.db2.gz AAZCYMMNZHHRRH-OAHLLOKOSA-N -1 1 303.358 3.536 20 0 DHADMM CCOc1ccc([C@@H](C)NCc2cc(C)c(C(=O)[O-])o2)cc1 ZINC000833663878 605067584 /nfs/dbraw/zinc/06/75/84/605067584.db2.gz NTVYADZXHDQSSN-GFCCVEGCSA-N -1 1 303.358 3.536 20 0 DHADMM CCOc1ccc([C@@H](C)NCc2cc(C(=O)[O-])oc2C)cc1 ZINC000833664576 605068471 /nfs/dbraw/zinc/06/84/71/605068471.db2.gz YFCTWDFINCYKMA-LLVKDONJSA-N -1 1 303.358 3.536 20 0 DHADMM CC[C@H](NCc1cc(C(=O)[O-])oc1C)c1ccccc1OC ZINC000833643808 605079219 /nfs/dbraw/zinc/07/92/19/605079219.db2.gz HRYXQSCLWWCXGX-AWEZNQCLSA-N -1 1 303.358 3.536 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN[C@@H](CC)c1ccccc1OC ZINC000833680225 605079807 /nfs/dbraw/zinc/07/98/07/605079807.db2.gz FJJYNVYGECUXGF-AWEZNQCLSA-N -1 1 317.385 3.790 20 0 DHADMM C[C@@H](NCC(C)(C)NC(=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000825484327 605107883 /nfs/dbraw/zinc/10/78/83/605107883.db2.gz GUZPLOGLKDFQEW-LLVKDONJSA-N -1 1 319.430 3.507 20 0 DHADMM CCOc1cc(Cl)ccc1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000833660076 605142065 /nfs/dbraw/zinc/14/20/65/605142065.db2.gz CTAZPGTTZUVGJC-MRXNPFEDSA-N -1 1 319.788 3.654 20 0 DHADMM CC(C)(C(=O)[O-])[C@@H](NCc1nc2ccccc2o1)c1ccccc1 ZINC000833414058 605182882 /nfs/dbraw/zinc/18/28/82/605182882.db2.gz KYSJLIIDZUWZFL-KRWDZBQOSA-N -1 1 324.380 3.770 20 0 DHADMM C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000833606622 605703710 /nfs/dbraw/zinc/70/37/10/605703710.db2.gz SGTJEDJLIJOVIZ-KOLCDFICSA-N -1 1 319.298 3.687 20 0 DHADMM O=C([O-])N[C@@H]1C[C@H](NCc2cc3ccccc3o2)c2ccccc21 ZINC000834159733 605795657 /nfs/dbraw/zinc/79/56/57/605795657.db2.gz WHEGKTIPQJZEPB-DLBZAZTESA-N -1 1 322.364 3.976 20 0 DHADMM O=C([O-])N[C@H]1C[C@@H](NCc2ccc(F)c(F)c2)c2ccccc21 ZINC000834159694 605795868 /nfs/dbraw/zinc/79/58/68/605795868.db2.gz WADHZUYIKGGSOZ-CVEARBPZSA-N -1 1 318.323 3.508 20 0 DHADMM CCOc1ccc([C@@H](C)NCc2cc(C(=O)[O-])ccc2F)cc1 ZINC000833663383 605843881 /nfs/dbraw/zinc/84/38/81/605843881.db2.gz HXMLZGIAAHXNPA-GFCCVEGCSA-N -1 1 317.360 3.773 20 0 DHADMM C[C@@H](Sc1cccc(-c2nnn[n-]2)n1)c1ccc(Cl)cc1 ZINC000824755310 607897037 /nfs/dbraw/zinc/89/70/37/607897037.db2.gz LBJRQKHPVOCWNR-SECBINFHSA-N -1 1 317.805 3.768 20 0 DHADMM C[C@@H](Sc1cccc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC000824755310 607897038 /nfs/dbraw/zinc/89/70/38/607897038.db2.gz LBJRQKHPVOCWNR-SECBINFHSA-N -1 1 317.805 3.768 20 0 DHADMM c1ccc2c(c1)cccc2CSc1cccc(-c2nnn[n-]2)n1 ZINC000826517731 607898601 /nfs/dbraw/zinc/89/86/01/607898601.db2.gz NELKPLCKWXGTGX-UHFFFAOYSA-N -1 1 319.393 3.707 20 0 DHADMM c1ccc2c(c1)cccc2CSc1cccc(-c2nn[n-]n2)n1 ZINC000826517731 607898602 /nfs/dbraw/zinc/89/86/02/607898602.db2.gz NELKPLCKWXGTGX-UHFFFAOYSA-N -1 1 319.393 3.707 20 0 DHADMM CC(C)Sc1ccc([C@H](C)NC(=O)c2cncc([O-])c2)cc1 ZINC000339922284 1013087920 /nfs/dbraw/zinc/08/79/20/1013087920.db2.gz FDLPKLVXWWCLGM-LBPRGKRZSA-N -1 1 316.426 3.779 20 0 DHADMM O=C([O-])c1cccc(CNc2nc3ccc(Cl)cc3[nH]2)c1 ZINC001595244710 949504618 /nfs/dbraw/zinc/50/46/18/949504618.db2.gz MFWFEVVJKZKFCK-UHFFFAOYSA-N -1 1 301.733 3.527 20 0 DHADMM CC(C)c1ccc([C@@H]2CCCN2C(=O)c2cncc([O-])c2)cc1 ZINC000339940513 1013112351 /nfs/dbraw/zinc/11/23/51/1013112351.db2.gz UXBUAVLLJBBNEK-SFHVURJKSA-N -1 1 310.397 3.888 20 0 DHADMM C[C@H](N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccncc1Cl ZINC001589124182 956154723 /nfs/dbraw/zinc/15/47/23/956154723.db2.gz RHCPVNSNHWURCK-JJMVLAAESA-N -1 1 316.788 3.699 20 0 DHADMM O=C([O-])c1ccccc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000033559278 957187370 /nfs/dbraw/zinc/18/73/70/957187370.db2.gz ONFCKVGEKOIJGB-UHFFFAOYSA-N -1 1 306.243 3.947 20 0 DHADMM COc1ccc(NC(=O)c2ccc3ccccc3c2[O-])c(O)c1 ZINC000443582430 1013177626 /nfs/dbraw/zinc/17/76/26/1013177626.db2.gz YREPDQCMGDQPIO-UHFFFAOYSA-N -1 1 309.321 3.512 20 0 DHADMM Cc1ccc2sc(CN3CCC[C@@H](CCC(=O)[O-])C3)nc2c1 ZINC001594386540 958678086 /nfs/dbraw/zinc/67/80/86/958678086.db2.gz XTDCNMJZRVUKEG-ZDUSSCGKSA-N -1 1 318.442 3.682 20 0 DHADMM Cc1nc2ccc(C(=O)Nc3c([O-])cccc3F)cc2s1 ZINC000683331339 1013247494 /nfs/dbraw/zinc/24/74/94/1013247494.db2.gz KQPOBNGOVOXRNO-UHFFFAOYSA-N -1 1 302.330 3.702 20 0 DHADMM O=C([O-])c1coc(CNCc2cc(-c3ccccc3)cs2)c1 ZINC000426686375 1013495169 /nfs/dbraw/zinc/49/51/69/1013495169.db2.gz DXMOOEZGGRPURM-UHFFFAOYSA-N -1 1 313.378 3.996 20 0 DHADMM Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(F)cc1[O-] ZINC000340326927 1013496352 /nfs/dbraw/zinc/49/63/52/1013496352.db2.gz GCDUSBHFXKVTSM-UHFFFAOYSA-N -1 1 318.329 3.809 20 0 DHADMM CCc1ccc(CN[C@H](CCC(=O)[O-])c2ccc(OC)cc2)o1 ZINC000426726054 1013497947 /nfs/dbraw/zinc/49/79/47/1013497947.db2.gz GSKXPGYDXSKXQL-QGZVFWFLSA-N -1 1 317.385 3.546 20 0 DHADMM Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(F)cc1[O-] ZINC000340332424 1013500650 /nfs/dbraw/zinc/50/06/50/1013500650.db2.gz WIANBLIYDXLIHL-UHFFFAOYSA-N -1 1 303.264 3.977 20 0 DHADMM O=C(Nc1c([O-])cccc1F)C1CCC(C(F)(F)F)CC1 ZINC000683495800 1013581939 /nfs/dbraw/zinc/58/19/39/1013581939.db2.gz WDFVXQDBUVPBRV-UHFFFAOYSA-N -1 1 305.271 3.839 20 0 DHADMM O=c1cc(C(F)F)nc(SC[C@H]2CCc3ccccc32)[n-]1 ZINC000519730329 1013597276 /nfs/dbraw/zinc/59/72/76/1013597276.db2.gz YMUMCGGWUUDKAX-SNVBAGLBSA-N -1 1 308.353 3.942 20 0 DHADMM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1nccs1 ZINC000683562914 1013635981 /nfs/dbraw/zinc/63/59/81/1013635981.db2.gz ZDFCBVQKRROEFN-UHFFFAOYSA-N -1 1 322.802 3.567 20 0 DHADMM CSc1ccccc1S(=O)(=O)[N-]c1cccc(C)c1C ZINC000188237364 1013660522 /nfs/dbraw/zinc/66/05/22/1013660522.db2.gz PCLRWQSKIMUEAM-UHFFFAOYSA-N -1 1 307.440 3.826 20 0 DHADMM COc1ccc(C(=O)Nc2c(C)cccc2OC(F)F)c([O-])c1 ZINC000102258612 1013750557 /nfs/dbraw/zinc/75/05/57/1013750557.db2.gz LDWMOKIOGKYZNK-UHFFFAOYSA-N -1 1 323.295 3.563 20 0 DHADMM CCOCc1cccc([N-]S(=O)(=O)c2ccc(CC)cc2)c1 ZINC000102320552 1013754275 /nfs/dbraw/zinc/75/42/75/1013754275.db2.gz ULIMEOPYONOIER-UHFFFAOYSA-N -1 1 319.426 3.586 20 0 DHADMM C[C@@H](CCCC(F)(F)F)NC(=O)c1c(F)ccc([O-])c1F ZINC000685483676 1019866455 /nfs/dbraw/zinc/86/64/55/1019866455.db2.gz PJWJEBCENMZJBE-ZETCQYMHSA-N -1 1 311.250 3.521 20 0 DHADMM COC(=O)c1nc(Cl)cnc1[N-]c1cc2cc(F)ccc2o1 ZINC001210726460 1014008390 /nfs/dbraw/zinc/00/83/90/1014008390.db2.gz NEYSMECPFNPJRN-UHFFFAOYSA-N -1 1 321.695 3.546 20 0 DHADMM O=c1[nH]ncc(Nc2cc(Cl)c([O-])c(Cl)c2)c1Cl ZINC001210926802 1014089053 /nfs/dbraw/zinc/08/90/53/1014089053.db2.gz OJAACBTYAWVIHE-UHFFFAOYSA-N -1 1 306.536 3.592 20 0 DHADMM CCN(C)c1ncc(Nc2cc(Cl)c([O-])c(Cl)c2)cn1 ZINC001210926648 1014089997 /nfs/dbraw/zinc/08/99/97/1014089997.db2.gz FOOBCVKJZOZIMU-UHFFFAOYSA-N -1 1 313.188 3.689 20 0 DHADMM CN1CCN(c2ccc(F)cc2Nc2cccc([S-])c2)CC1 ZINC001210947437 1014095115 /nfs/dbraw/zinc/09/51/15/1014095115.db2.gz MYRHTCPKVJNUIG-UHFFFAOYSA-N -1 1 317.433 3.610 20 0 DHADMM Cc1cccc([C@@H]2CCCN2Cc2nc(C(=O)[O-])cs2)c1C ZINC000515305568 974297419 /nfs/dbraw/zinc/29/74/19/974297419.db2.gz AGWKFRHBCKBJIZ-HNNXBMFYSA-N -1 1 316.426 3.795 20 0 DHADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000563284749 974528126 /nfs/dbraw/zinc/52/81/26/974528126.db2.gz YWVLMVGFZIOEEM-SKDRFNHKSA-N -1 1 319.323 3.949 20 0 DHADMM CC(C)C[C@H](C(=O)[O-])N1CCC[C@H]1c1nc2ccccc2s1 ZINC000568991986 974681685 /nfs/dbraw/zinc/68/16/85/974681685.db2.gz YYDHNNKWEFWGLA-UONOGXRCSA-N -1 1 318.442 3.933 20 0 DHADMM CC(C)CN(CC(=O)[O-])Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000584118657 974950295 /nfs/dbraw/zinc/95/02/95/974950295.db2.gz GCZHVZLIWPCPMD-UHFFFAOYSA-N -1 1 322.792 3.538 20 0 DHADMM Cc1cc(Br)ccc1NC(=O)c1cc(F)ccc1[O-] ZINC000039285491 1014263596 /nfs/dbraw/zinc/26/35/96/1014263596.db2.gz DLGMGGHSEGBBAE-UHFFFAOYSA-N -1 1 324.149 3.855 20 0 DHADMM COCc1ccc([C@@H]2CCCN2[C@@H](C)c2ccc(C(=O)[O-])o2)o1 ZINC000652444220 975533713 /nfs/dbraw/zinc/53/37/13/975533713.db2.gz BRXGMBSHORZJRI-AAEUAGOBSA-N -1 1 319.357 3.615 20 0 DHADMM Cc1c(CN(C)Cc2occc2C(=O)[O-])oc2c1cccc2C ZINC000652511129 975571664 /nfs/dbraw/zinc/57/16/64/975571664.db2.gz PYZCEZLJXWXCHU-UHFFFAOYSA-N -1 1 313.353 3.973 20 0 DHADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ncccc2F)c(C)c1C ZINC000180266483 1014270855 /nfs/dbraw/zinc/27/08/55/1014270855.db2.gz FNXAIMMUOOUSBZ-UHFFFAOYSA-N -1 1 322.405 3.564 20 0 DHADMM [O-]c1ccc(-c2nc(-c3nccc4ccccc43)no2)c(F)c1 ZINC000391539482 1014303988 /nfs/dbraw/zinc/30/39/88/1014303988.db2.gz MKUOLUMDVRSAGW-UHFFFAOYSA-N -1 1 307.284 3.797 20 0 DHADMM CC(C)c1cc(C(=O)[N-]c2cc(Cl)cc(F)c2F)on1 ZINC000441561659 1014332480 /nfs/dbraw/zinc/33/24/80/1014332480.db2.gz DQVQXJADQVVURM-UHFFFAOYSA-N -1 1 300.692 3.982 20 0 DHADMM Cc1sc(CC(=O)Nc2c([O-])cccc2F)nc1C(C)C ZINC000684058082 1014358021 /nfs/dbraw/zinc/35/80/21/1014358021.db2.gz TVSQFBCDGUSFKK-UHFFFAOYSA-N -1 1 308.378 3.601 20 0 DHADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc(Cl)cc(Cl)c1 ZINC000263498835 1014556960 /nfs/dbraw/zinc/55/69/60/1014556960.db2.gz KHXKLEDHRKSJOZ-MWLCHTKSSA-N -1 1 302.201 3.679 20 0 DHADMM CC(C)(C)c1cnc(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)s1 ZINC000859812883 979642660 /nfs/dbraw/zinc/64/26/60/979642660.db2.gz XKPXYOPZUQRMBS-GFCCVEGCSA-N -1 1 324.490 3.763 20 0 DHADMM C[C@]1(C(F)(F)F)CCN(Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000872166696 980063803 /nfs/dbraw/zinc/06/38/03/980063803.db2.gz NXODXTVCHUOHNX-ZDUSSCGKSA-N -1 1 321.726 3.813 20 0 DHADMM CCc1oc(CN[C@@]2(C)CCCc3ccccc32)cc1C(=O)[O-] ZINC000901439671 980288538 /nfs/dbraw/zinc/28/85/38/980288538.db2.gz WMNUPQYGSNETLP-IBGZPJMESA-N -1 1 313.397 3.882 20 0 DHADMM CC[C@@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1ccccc1OC ZINC001595277631 980306899 /nfs/dbraw/zinc/30/68/99/980306899.db2.gz WUCXHUHVXWSKDO-NVXWUHKLSA-N -1 1 317.360 3.701 20 0 DHADMM CC[C@H](N[C@H](C)c1cncc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC001595281373 980333357 /nfs/dbraw/zinc/33/33/57/980333357.db2.gz MZWRUSFJKNCHOW-HWPZZCPQSA-N -1 1 320.339 3.860 20 0 DHADMM O=C([O-])CC[C@H]1CCCN(Cc2cscc2C(F)(F)F)C1 ZINC000901553477 980380029 /nfs/dbraw/zinc/38/00/29/980380029.db2.gz VTGHQYRCMFXSBT-SNVBAGLBSA-N -1 1 321.364 3.844 20 0 DHADMM Cc1ccc([C@H](NCc2ccc(/C=C\C(=O)[O-])o2)C2CC2)cc1 ZINC000902088644 980727738 /nfs/dbraw/zinc/72/77/38/980727738.db2.gz URYXFEPOTIDFKB-GDWUOILNSA-N -1 1 311.381 3.927 20 0 DHADMM Cc1oc(CN[C@H](C)c2cccc(OC(C)C)c2)cc1C(=O)[O-] ZINC000902119705 980743971 /nfs/dbraw/zinc/74/39/71/980743971.db2.gz QGLNMNAACMPGRO-GFCCVEGCSA-N -1 1 317.385 3.924 20 0 DHADMM Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1cc(C)c(C(=O)[O-])o1 ZINC000902133188 980751608 /nfs/dbraw/zinc/75/16/08/980751608.db2.gz UOHUDHMOULBCQG-CQSZACIVSA-N -1 1 317.385 3.991 20 0 DHADMM CCc1oc(CN[C@@H]2CCc3c2cccc3Cl)cc1C(=O)[O-] ZINC000902173040 980767683 /nfs/dbraw/zinc/76/76/83/980767683.db2.gz FRQPIQDSDBGFRP-OAHLLOKOSA-N -1 1 319.788 3.971 20 0 DHADMM CCc1oc(CN[C@@]2(c3ccccc3)CC2(C)C)cc1C(=O)[O-] ZINC000902330184 980835554 /nfs/dbraw/zinc/83/55/54/980835554.db2.gz QMVXQKJVOWQTDP-LJQANCHMSA-N -1 1 313.397 3.955 20 0 DHADMM O=C([O-])c1cc(CNCc2cc(C3CC3)ccc2F)cs1 ZINC000902347167 980842880 /nfs/dbraw/zinc/84/28/80/980842880.db2.gz DHONEBTTZJAEPV-UHFFFAOYSA-N -1 1 305.374 3.753 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CNC1(c2ccc(Cl)cc2)CC1 ZINC000902365553 980855192 /nfs/dbraw/zinc/85/51/92/980855192.db2.gz ZEEAKRNZQNQYSE-UHFFFAOYSA-N -1 1 305.761 3.719 20 0 DHADMM O=C([O-])c1occc1CN[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000902429500 980882546 /nfs/dbraw/zinc/88/25/46/980882546.db2.gz DQTGCYGPNJVRTD-CYBMUJFWSA-N -1 1 321.760 3.635 20 0 DHADMM Cc1nonc1[N-]c1cc(F)cc(F)c1OCc1ccccc1 ZINC001211511904 1014693942 /nfs/dbraw/zinc/69/39/42/1014693942.db2.gz AJJYUSXUSDGZGT-UHFFFAOYSA-N -1 1 317.295 3.979 20 0 DHADMM Cc1cccc(C2=CCN(Cc3cccc(C(=O)[O-])n3)CC2)c1C ZINC000905821070 981165065 /nfs/dbraw/zinc/16/50/65/981165065.db2.gz VQMUIOSDORSGHQ-UHFFFAOYSA-N -1 1 322.408 3.686 20 0 DHADMM CC[C@H]1Cc2ccccc2CN1Cc1ccc(C(=O)[O-])cc1F ZINC001595499591 981265540 /nfs/dbraw/zinc/26/55/40/981265540.db2.gz MRSNCWCYQQXZJQ-KRWDZBQOSA-N -1 1 313.372 3.861 20 0 DHADMM CSc1ccccc1[C@H](C)NC(=O)c1ccc([O-])cc1F ZINC000442967721 1014780949 /nfs/dbraw/zinc/78/09/49/1014780949.db2.gz QQEVJLQWWDDTON-JTQLQIEISA-N -1 1 305.374 3.744 20 0 DHADMM CCCOc1ccc(CNC(=O)c2ccc([O-])cc2F)c(C)c1 ZINC000191116711 1014859266 /nfs/dbraw/zinc/85/92/66/1014859266.db2.gz AGTJKWAHLXXOIS-UHFFFAOYSA-N -1 1 317.360 3.559 20 0 DHADMM CCOc1cccc(S(=O)(=O)[N-]c2c(C)cccc2C)c1 ZINC000443402422 1014903509 /nfs/dbraw/zinc/90/35/09/1014903509.db2.gz YPBVFWGFYCQNJO-UHFFFAOYSA-N -1 1 305.399 3.503 20 0 DHADMM CO[C@@H](CSc1nc(C)c(C2CC2)c(=O)[n-]1)C1CCCC1 ZINC000631022842 1014908919 /nfs/dbraw/zinc/90/89/19/1014908919.db2.gz ANBRRRPNVHYZNB-ZDUSSCGKSA-N -1 1 308.447 3.665 20 0 DHADMM CCCc1ncc(CN[C@@H](CC)c2ccc(C(=O)[O-])cc2)o1 ZINC001596088245 983407233 /nfs/dbraw/zinc/40/72/33/983407233.db2.gz BDTRCLYMBXESFQ-HNNXBMFYSA-N -1 1 302.374 3.566 20 0 DHADMM CCN(CC(=O)[O-])Cc1cc2ccc(SC)cc2nc1Cl ZINC001596225261 983616824 /nfs/dbraw/zinc/61/68/24/983616824.db2.gz XWBQZIUYCNJBMO-UHFFFAOYSA-N -1 1 324.833 3.517 20 0 DHADMM O=C([O-])CCC1CCN(Cc2nc3ccc(F)cc3s2)CC1 ZINC000665343757 1014970757 /nfs/dbraw/zinc/97/07/57/1014970757.db2.gz SYKVXBYPRCHYGS-UHFFFAOYSA-N -1 1 322.405 3.512 20 0 DHADMM C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2c([O-])cccc2F)o1 ZINC000605440120 1015042894 /nfs/dbraw/zinc/04/28/94/1015042894.db2.gz KPLDOCHKINNGRZ-ZYHUDNBSSA-N -1 1 303.333 3.819 20 0 DHADMM O=C(Nc1ncccc1OCc1ccccc1)c1ccccc1[O-] ZINC001299178053 1015067868 /nfs/dbraw/zinc/06/78/68/1015067868.db2.gz CFWVEMBUZYWNHY-UHFFFAOYSA-N -1 1 320.348 3.619 20 0 DHADMM Cc1[nH]c(CN2CCCCC[C@H]2c2ccco2)cc1C(=O)[O-] ZINC001599963979 985859458 /nfs/dbraw/zinc/85/94/58/985859458.db2.gz VPCBWTMMYYDHCN-HNNXBMFYSA-N -1 1 302.374 3.732 20 0 DHADMM CCOc1ccc2nc(S[C@@H](C(=O)[O-])[C@H](C)CC)[nH]c2c1 ZINC001597145589 986907379 /nfs/dbraw/zinc/90/73/79/986907379.db2.gz IRPZPAQOBKNTLH-NOZJJQNGSA-N -1 1 308.403 3.553 20 0 DHADMM CC[C@@H](N[C@H](C(=O)[O-])c1ccccc1F)c1ccccc1F ZINC001597291753 987381574 /nfs/dbraw/zinc/38/15/74/987381574.db2.gz VTYQRVYMBZFQLD-CVEARBPZSA-N -1 1 305.324 3.831 20 0 DHADMM CC(C)Cc1cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)[nH]n1 ZINC000474425181 1015350249 /nfs/dbraw/zinc/35/02/49/1015350249.db2.gz FSWMNSYHCBYBQX-UHFFFAOYSA-N -1 1 321.446 3.532 20 0 DHADMM CSCc1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC001599802470 988199765 /nfs/dbraw/zinc/19/97/65/988199765.db2.gz LOZSECVSUHWYDI-INIZCTEOSA-N -1 1 319.401 3.604 20 0 DHADMM CSc1cc(C)ccc1CNCc1ccc(/C=C/C(=O)[O-])o1 ZINC001599808366 988292948 /nfs/dbraw/zinc/29/29/48/988292948.db2.gz DRRMLQWPFYLVPP-BQYQJAHWSA-N -1 1 317.410 3.698 20 0 DHADMM CSc1cc(C)ccc1CN[C@@H](C)c1cncc(C(=O)[O-])c1 ZINC001599808512 988295352 /nfs/dbraw/zinc/29/53/52/988295352.db2.gz HUYFOQFNHYHEQE-LBPRGKRZSA-N -1 1 316.426 3.661 20 0 DHADMM COc1cc(C)ccc1-c1noc(-c2ccc([O-])cc2F)n1 ZINC000389199953 1015408528 /nfs/dbraw/zinc/40/85/28/1015408528.db2.gz YLJQBMIWKNDFRR-UHFFFAOYSA-N -1 1 300.289 3.565 20 0 DHADMM CCc1oc(CN(CC)[C@@H](C)c2cccc(O)c2)cc1C(=O)[O-] ZINC001597792714 989334370 /nfs/dbraw/zinc/33/43/70/989334370.db2.gz GZSJRJNELGHGPL-LBPRGKRZSA-N -1 1 317.385 3.829 20 0 DHADMM CCc1oc(CNCc2cccc(C(F)F)c2)cc1C(=O)[O-] ZINC001597805313 989412814 /nfs/dbraw/zinc/41/28/14/989412814.db2.gz DKNHOVXBSXFVQN-UHFFFAOYSA-N -1 1 309.312 3.768 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1Cc2ccccc2C1 ZINC000034777372 1015489383 /nfs/dbraw/zinc/48/93/83/1015489383.db2.gz UTSSSIDVXHKJTE-UHFFFAOYSA-N -1 1 307.271 3.567 20 0 DHADMM CCOc1cc(-c2noc([C@H]3C[C@H](C)CO3)n2)cc(Cl)c1[O-] ZINC000896205575 1015501542 /nfs/dbraw/zinc/50/15/42/1015501542.db2.gz SEUYUGRVQLNIBW-QPUJVOFHSA-N -1 1 324.764 3.592 20 0 DHADMM CN(C(=O)c1cc(F)ccc1[O-])[C@@H]1CCC[C@H]1c1ccccc1 ZINC000458035556 1015632964 /nfs/dbraw/zinc/63/29/64/1015632964.db2.gz YGWHGJNNQRQVPY-DOTOQJQBSA-N -1 1 313.372 3.940 20 0 DHADMM CC(C)[C@@H]1N([C@H](C)c2ncc(C(=O)[O-])s2)CC12CC=CC2 ZINC001591099735 991714305 /nfs/dbraw/zinc/71/43/05/991714305.db2.gz NYGSKBLXQAMFBQ-YPMHNXCESA-N -1 1 306.431 3.579 20 0 DHADMM CC(C)CC1(NCc2coc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC001591197109 992015037 /nfs/dbraw/zinc/01/50/37/992015037.db2.gz ALEQDGNKARTAPI-UHFFFAOYSA-N -1 1 314.385 3.708 20 0 DHADMM CC(C)CN(CC(=O)[O-])Cc1ccc(-c2cccc(F)c2F)o1 ZINC001591304844 992257189 /nfs/dbraw/zinc/25/71/89/992257189.db2.gz MMNKHEPNQSWVNT-UHFFFAOYSA-N -1 1 323.339 3.767 20 0 DHADMM CN(Cc1csc2ccccc12)Cc1cccc(C(=O)[O-])n1 ZINC001598526699 992728600 /nfs/dbraw/zinc/72/86/00/992728600.db2.gz BGQGQVPTIIANMW-UHFFFAOYSA-N -1 1 312.394 3.627 20 0 DHADMM CCCc1nc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)co1 ZINC000280927389 1015811032 /nfs/dbraw/zinc/81/10/32/1015811032.db2.gz GVKNQCFMOWQBLJ-UHFFFAOYSA-N -1 1 315.398 3.883 20 0 DHADMM C[C@@H](N[C@@H](C)c1ccc(C(=O)[O-])o1)c1ccc2c(c1)CCCO2 ZINC001593198855 994175425 /nfs/dbraw/zinc/17/54/25/994175425.db2.gz VCISFLQABWFUIF-NEPJUHHUSA-N -1 1 315.369 3.715 20 0 DHADMM C[C@@H](NCc1ccc(C(=O)[O-])cn1)c1ccc(F)c2ccccc21 ZINC001593297642 994705291 /nfs/dbraw/zinc/70/52/91/994705291.db2.gz XKIZRPGILDQINR-GFCCVEGCSA-N -1 1 324.355 3.923 20 0 DHADMM COc1cccc(C2(N[C@H](C)c3cc(C(=O)[O-])co3)CCC2)c1 ZINC001599666680 994741149 /nfs/dbraw/zinc/74/11/49/994741149.db2.gz SMCWWFHIXAFMJG-GFCCVEGCSA-N -1 1 315.369 3.716 20 0 DHADMM C[C@@H](N[C@H](C)c1cncc(C(=O)[O-])c1)c1cc2ccccc2o1 ZINC001593353576 994982220 /nfs/dbraw/zinc/98/22/20/994982220.db2.gz AQSAYKGDIUCPOL-VXGBXAGGSA-N -1 1 310.353 3.938 20 0 DHADMM C[C@@H](N[C@@H]1[C@@H](c2ccccc2)C1(C)C)c1ncc(C(=O)[O-])s1 ZINC001593354393 994990486 /nfs/dbraw/zinc/99/04/86/994990486.db2.gz OTJXIVKRGUBMSQ-LERXQTSPSA-N -1 1 316.426 3.684 20 0 DHADMM C[C@@H](c1nc(C(=O)[O-])co1)N1CCC[C@@H](c2ccccc2)CC1 ZINC001593726136 996288005 /nfs/dbraw/zinc/28/80/05/996288005.db2.gz ZWOMVWMVVBUOQV-DZGCQCFKSA-N -1 1 314.385 3.704 20 0 DHADMM CC1(C)CN(Cc2ccc(/C=C/C(=O)[O-])o2)[C@H]1c1ccccc1 ZINC001593942841 996972050 /nfs/dbraw/zinc/97/20/50/996972050.db2.gz QSYCWGNHQUDRGX-ZGKFYVQTSA-N -1 1 311.381 3.961 20 0 DHADMM COc1cc(C)cc(CN[C@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001599392264 997059016 /nfs/dbraw/zinc/05/90/16/997059016.db2.gz KQHYDYWEDMVXCR-INIZCTEOSA-N -1 1 319.788 3.573 20 0 DHADMM CC1=C(C)CN(Cc2ccc(C(=O)[O-])c(Br)c2)CC1 ZINC001594109051 998189699 /nfs/dbraw/zinc/18/96/99/998189699.db2.gz CSHRQLDIFWQILQ-UHFFFAOYSA-N -1 1 324.218 3.689 20 0 DHADMM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001594168248 998649155 /nfs/dbraw/zinc/64/91/55/998649155.db2.gz VASNJHFMQCJWPR-QPUJVOFHSA-N -1 1 321.726 3.654 20 0 DHADMM C[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001594175310 998671993 /nfs/dbraw/zinc/67/19/93/998671993.db2.gz WIMGCIJYGFNONR-QTSSUADMSA-N -1 1 317.307 3.540 20 0 DHADMM C[C@]1(C(=O)[O-])CCCN(Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000317825226 1016252189 /nfs/dbraw/zinc/25/21/89/1016252189.db2.gz CRUOMRQWDYUDNN-AWEZNQCLSA-N -1 1 319.298 3.531 20 0 DHADMM C[C@@H]1C[C@H](C(F)(F)F)CCN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC001594215234 998829245 /nfs/dbraw/zinc/82/92/45/998829245.db2.gz QQZYFZPCSKJJNT-MWLCHTKSSA-N -1 1 319.298 3.687 20 0 DHADMM C[C@@H]1C[C@@H](c2ccccc2F)N(Cc2cncc(C(=O)[O-])c2)C1 ZINC001594268836 999039697 /nfs/dbraw/zinc/03/96/97/999039697.db2.gz CLNKPXFAXSLELU-PXAZEXFGSA-N -1 1 314.360 3.502 20 0 DHADMM C[C@@H]1CC[C@H](c2ccccc2)N(Cc2nc(C(=O)[O-])cs2)C1 ZINC001594330044 999268252 /nfs/dbraw/zinc/26/82/52/999268252.db2.gz IANXCRVQIUXAIQ-IUODEOHRSA-N -1 1 316.426 3.815 20 0 DHADMM C[C@@H]1CCN(Cc2ccc(F)c(Cl)c2Cl)[C@H](C(=O)[O-])C1 ZINC001594423766 999583706 /nfs/dbraw/zinc/58/37/06/999583706.db2.gz GXQAKGOJBFFDTG-KCJUWKMLSA-N -1 1 320.191 3.818 20 0 DHADMM C[C@@H]1CCN(Cc2ccc(/C=C\C(=O)[O-])o2)[C@@H](c2ccco2)C1 ZINC001594423974 999585815 /nfs/dbraw/zinc/58/58/15/999585815.db2.gz NIOVRZGMPKEYNK-NYGHPLDOSA-N -1 1 315.369 3.944 20 0 DHADMM CCC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000684760511 1016390684 /nfs/dbraw/zinc/39/06/84/1016390684.db2.gz TZIKISFUUQNBMG-ZETCQYMHSA-N -1 1 314.209 3.599 20 0 DHADMM CC(C)Oc1ccc(N(C)C(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000622556503 1016466172 /nfs/dbraw/zinc/46/61/72/1016466172.db2.gz FCCRAIBTBZAEKW-UHFFFAOYSA-N -1 1 321.323 3.734 20 0 DHADMM [O-]c1cccnc1CN1CCc2c(Cl)cc(Cl)cc2C1 ZINC000582208271 1016496050 /nfs/dbraw/zinc/49/60/50/1016496050.db2.gz ONUAODWUHGILCW-UHFFFAOYSA-N -1 1 309.196 3.652 20 0 DHADMM Cc1ccc(CN(C)C(=O)c2c(F)ccc([O-])c2F)cc1C ZINC000622671541 1016519515 /nfs/dbraw/zinc/51/95/15/1016519515.db2.gz QZMHBZOQXMLRFJ-UHFFFAOYSA-N -1 1 305.324 3.559 20 0 DHADMM CC1(C)CCC[C@H]([N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC001211544066 1016682603 /nfs/dbraw/zinc/68/26/03/1016682603.db2.gz RRUZWEZRDIJGLB-ZDUSSCGKSA-N -1 1 307.415 3.680 20 0 DHADMM Cc1cccc(CCNC(=O)c2ccc(C(F)(F)F)c([O-])c2)c1 ZINC000684872574 1016756873 /nfs/dbraw/zinc/75/68/73/1016756873.db2.gz WIWRAJLFRFPZOM-UHFFFAOYSA-N -1 1 323.314 3.692 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(OC(F)F)cc1 ZINC000082192746 1016772949 /nfs/dbraw/zinc/77/29/49/1016772949.db2.gz WPIONDADFSYVOV-UHFFFAOYSA-N -1 1 313.687 3.899 20 0 DHADMM C[C@H]1C[C@H](c2cccs2)CN1C(=O)c1cc(F)ccc1[O-] ZINC000362008826 1032191827 /nfs/dbraw/zinc/19/18/27/1032191827.db2.gz IIYIBGXWIONCGQ-QWRGUYRKSA-N -1 1 305.374 3.611 20 0 DHADMM CC[C@@H](Cc1cccc(C)c1)C(=O)[N-]Oc1ccc(F)cc1 ZINC001146550468 1032229345 /nfs/dbraw/zinc/22/93/45/1032229345.db2.gz IPTQSSXBKQNWGY-HNNXBMFYSA-N -1 1 301.361 3.813 20 0 DHADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)[C@@H](C)C1 ZINC001146812299 1032249092 /nfs/dbraw/zinc/24/90/92/1032249092.db2.gz FXNNKMDLTHXAQJ-GBIKHYSHSA-N -1 1 315.335 3.966 20 0 DHADMM COc1ccc(C(=O)Nc2cc(-c3ncco3)ccc2C)c([O-])c1 ZINC000089222665 1032330789 /nfs/dbraw/zinc/33/07/89/1032330789.db2.gz XQMJUBDTUSUQEC-UHFFFAOYSA-N -1 1 324.336 3.617 20 0 DHADMM Cc1ccc([C@@H](C)NC(=O)c2ccc(C(F)(F)F)cc2[O-])nc1 ZINC001148799431 1032446347 /nfs/dbraw/zinc/44/63/47/1032446347.db2.gz PINZOIVBEOHHBL-SNVBAGLBSA-N -1 1 324.302 3.605 20 0 DHADMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc([O-])cc2F)C1(CC)CC ZINC001148988073 1032456246 /nfs/dbraw/zinc/45/62/46/1032456246.db2.gz NISNPKDEBYLUBF-HZPDHXFCSA-N -1 1 323.408 3.587 20 0 DHADMM O=C(Nc1ccccc1OCC(F)(F)F)c1ccccc1[O-] ZINC000122104684 1032506696 /nfs/dbraw/zinc/50/66/96/1032506696.db2.gz ZGBUOFNWLLEEED-UHFFFAOYSA-N -1 1 311.259 3.586 20 0 DHADMM Cc1nc(-c2ccc(NCCCC3CCC3)nc2)[n-]c(=O)c1C ZINC000664397759 1012096558 /nfs/dbraw/zinc/09/65/58/1012096558.db2.gz VGYSXMKZRCUZEU-UHFFFAOYSA-N -1 1 312.417 3.853 20 0 DHADMM O=C(Nc1ccc(Cl)cc1[O-])c1ncoc1-c1ccccc1 ZINC000153556580 1012111985 /nfs/dbraw/zinc/11/19/85/1012111985.db2.gz ZWDKVUNRZCWSQG-UHFFFAOYSA-N -1 1 314.728 3.953 20 0 DHADMM CCCc1[n-]n(-c2cc(Cl)nc3ncccc23)c(=O)c1CC ZINC000887294702 1032604911 /nfs/dbraw/zinc/60/49/11/1032604911.db2.gz JITCYNNZACJXOM-JTQLQIEISA-N -1 1 316.792 3.812 20 0 DHADMM CN(C(=O)c1ccc([O-])c(F)c1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000655208269 1012563068 /nfs/dbraw/zinc/56/30/68/1012563068.db2.gz PRYQLHIHMLNECT-WBVHZDCISA-N -1 1 313.372 3.940 20 0 DHADMM CN(C(=O)c1ccc([O-])c(F)c1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000655208260 1012563947 /nfs/dbraw/zinc/56/39/47/1012563947.db2.gz PRYQLHIHMLNECT-DOTOQJQBSA-N -1 1 313.372 3.940 20 0 DHADMM C[C@@H]1[C@H](C(F)(F)F)CCN1c1c(C(=O)[O-])cnc2ccccc21 ZINC000517153886 1012918995 /nfs/dbraw/zinc/91/89/95/1012918995.db2.gz KAQNETQKNSQTGN-BXKDBHETSA-N -1 1 324.302 3.710 20 0 DHADMM O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)c1cncc([O-])c1 ZINC000339847328 1012928095 /nfs/dbraw/zinc/92/80/95/1012928095.db2.gz OWTKQRYOCOMQNO-KRWDZBQOSA-N -1 1 314.360 3.588 20 0 DHADMM Cc1cnc(C(=O)N2C[C@@H](C)CC[C@@H]2c2ccccc2)c([O-])c1 ZINC000342762010 1017181847 /nfs/dbraw/zinc/18/18/47/1017181847.db2.gz WLBMJQPZGSAJLF-XJKSGUPXSA-N -1 1 310.397 3.709 20 0 DHADMM [O-]c1ccc(-c2noc(-c3ccnc4ccncc43)n2)c(Cl)c1 ZINC000350581357 1017301228 /nfs/dbraw/zinc/30/12/28/1017301228.db2.gz PXIDRRQYNBSBPD-UHFFFAOYSA-N -1 1 324.727 3.706 20 0 DHADMM CCOc1cc(-c2noc(C3(CC)CC3)n2)cc(Cl)c1[O-] ZINC000445404504 1017843827 /nfs/dbraw/zinc/84/38/27/1017843827.db2.gz CRLGHBOJSKRWRB-UHFFFAOYSA-N -1 1 308.765 3.936 20 0 DHADMM [O-]c1ccc(-c2noc(/C=C/c3cccc(O)c3)n2)c(Cl)c1 ZINC000445446548 1017867055 /nfs/dbraw/zinc/86/70/55/1017867055.db2.gz MEPSYYXKEJYWHB-QPJJXVBHSA-N -1 1 314.728 3.972 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cc4c(cccc4F)[nH]3)n2)cc1F ZINC000445477420 1017875000 /nfs/dbraw/zinc/87/50/00/1017875000.db2.gz NZXJIUGAYNVYHB-UHFFFAOYSA-N -1 1 313.263 3.869 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cc4c(s3)CCC4)n2)cc1F ZINC000445477083 1017875067 /nfs/dbraw/zinc/87/50/67/1017875067.db2.gz ARHDBCCAGZAIMB-UHFFFAOYSA-N -1 1 302.330 3.799 20 0 DHADMM [O-]c1ccc(-c2noc([C@@H]3Cc4ccccc4S3)n2)cc1F ZINC000445476806 1017882962 /nfs/dbraw/zinc/88/29/62/1017882962.db2.gz INJCCDJPVNYBBY-AWEZNQCLSA-N -1 1 314.341 3.971 20 0 DHADMM COCc1cccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)c1 ZINC000171329534 1017925324 /nfs/dbraw/zinc/92/53/24/1017925324.db2.gz RLDGUPXDCGHNHQ-UHFFFAOYSA-N -1 1 319.426 3.757 20 0 DHADMM CCCC(CCC)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000477105788 1032731239 /nfs/dbraw/zinc/73/12/39/1032731239.db2.gz HFHULFPBQNQDJU-UHFFFAOYSA-N -1 1 301.390 3.937 20 0 DHADMM CCN(CC(C)(C)C)C(=O)c1cc(Br)ccc1[O-] ZINC000381406306 1018254127 /nfs/dbraw/zinc/25/41/27/1018254127.db2.gz XNMXEIMQYZAXBN-UHFFFAOYSA-N -1 1 314.223 3.663 20 0 DHADMM CN(Cc1c(F)cccc1Cl)C(=O)c1cc(F)ccc1[O-] ZINC000080000479 1018270948 /nfs/dbraw/zinc/27/09/48/1018270948.db2.gz XPTIBHKUMFFMAC-UHFFFAOYSA-N -1 1 311.715 3.596 20 0 DHADMM Cc1oc2ccccc2c1CN1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000325383088 1018308403 /nfs/dbraw/zinc/30/84/03/1018308403.db2.gz TVQIXXLPKBVYJN-GOSISDBHSA-N -1 1 321.376 3.753 20 0 DHADMM CC[C@@H]1C[C@@H](Cc2nc(-c3ccc([O-])cc3Cl)no2)CCO1 ZINC000278215241 1018378652 /nfs/dbraw/zinc/37/86/52/1018378652.db2.gz QOCYHGHRQHPJDM-CMPLNLGQSA-N -1 1 322.792 3.843 20 0 DHADMM [O-]c1ccc(-c2noc(CC[C@@H]3CCCCO3)n2)c(Cl)c1 ZINC000278225989 1018400488 /nfs/dbraw/zinc/40/04/88/1018400488.db2.gz RFCIYUFLESPCPB-NSHDSACASA-N -1 1 308.765 3.597 20 0 DHADMM COc1cc(C(=O)NC[C@@H](C)c2ccccc2)cc(Cl)c1[O-] ZINC000527196474 1018533693 /nfs/dbraw/zinc/53/36/93/1018533693.db2.gz YVBDIQHJCZOWOD-LLVKDONJSA-N -1 1 319.788 3.588 20 0 DHADMM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc([O-])cc1F ZINC000385778011 1018787319 /nfs/dbraw/zinc/78/73/19/1018787319.db2.gz LWMHJCBHCMQKFR-CYBMUJFWSA-N -1 1 313.372 3.972 20 0 DHADMM CC[C@H](C)Sc1ccc(NC(=O)C2=C([O-])C(C)N=N2)c(C)c1 ZINC000676631525 1018788637 /nfs/dbraw/zinc/78/86/37/1018788637.db2.gz YUKVZDVRWGSJFK-JTQLQIEISA-N -1 1 319.430 3.875 20 0 DHADMM CCOC1CC(Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)C1 ZINC000278539921 1018795322 /nfs/dbraw/zinc/79/53/22/1018795322.db2.gz JNWLKHYQCPEVKD-UHFFFAOYSA-N -1 1 316.426 3.817 20 0 DHADMM CCCNc1ccc(CNC(=O)c2c([O-])cccc2Cl)cc1 ZINC000765931332 1018855481 /nfs/dbraw/zinc/85/54/81/1018855481.db2.gz ZMBLWRQWHUUDIJ-UHFFFAOYSA-N -1 1 318.804 3.798 20 0 DHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCCC[C@H]1C(F)F ZINC000626912933 1018891333 /nfs/dbraw/zinc/89/13/33/1018891333.db2.gz SIHJFWSRZHSRDP-JTQLQIEISA-N -1 1 323.261 3.671 20 0 DHADMM C[C@@H](Oc1cccc(F)c1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111668363 1019050356 /nfs/dbraw/zinc/05/03/56/1019050356.db2.gz BAJIGSPIRTVPGC-SECBINFHSA-N -1 1 309.724 3.591 20 0 DHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1 ZINC000031665188 1019228650 /nfs/dbraw/zinc/22/86/50/1019228650.db2.gz UBDVTFHXLICFCX-UHFFFAOYSA-N -1 1 323.801 3.652 20 0 DHADMM CC[C@H](NCc1cc(C(=O)[O-])c(C)o1)c1ccc(OC)cc1 ZINC000902073293 1019236148 /nfs/dbraw/zinc/23/61/48/1019236148.db2.gz KWNGVAVAFFHMMY-INIZCTEOSA-N -1 1 303.358 3.536 20 0 DHADMM [O-]c1cccnc1-c1nc(-c2cc3ccoc3c(Cl)c2)no1 ZINC001212480983 1019416519 /nfs/dbraw/zinc/41/65/19/1019416519.db2.gz SUNNBNMECRUBJJ-UHFFFAOYSA-N -1 1 313.700 3.904 20 0 DHADMM O=c1[n-]c(-c2nnc(-c3ccccc3)s2)nc2cccc(F)c12 ZINC000682077701 1019608723 /nfs/dbraw/zinc/60/87/23/1019608723.db2.gz VQLWKXNXJUKWGH-UHFFFAOYSA-N -1 1 324.340 3.660 20 0 DHADMM CC(C)[C@@H]1N(C(=O)c2cc(F)ccc2[O-])CC12CCCCC2 ZINC001626110522 1019704582 /nfs/dbraw/zinc/70/45/82/1019704582.db2.gz BPYLDSDEOHHRRM-INIZCTEOSA-N -1 1 305.393 3.962 20 0 DHADMM Cc1noc(C)c1[N-]C(=O)c1occc1COc1ccccc1 ZINC000063447277 1019802208 /nfs/dbraw/zinc/80/22/08/1019802208.db2.gz XLZKKXOBYXBSSG-UHFFFAOYSA-N -1 1 312.325 3.716 20 0 DHADMM Fc1cccc2nc([N-][C@@H](C[C@@H]3CCCO3)C(F)(F)F)oc21 ZINC000624375209 1019994673 /nfs/dbraw/zinc/99/46/73/1019994673.db2.gz JMJLMKMWWRWBAF-KWQFWETISA-N -1 1 318.270 3.879 20 0 DHADMM [O-]c1cccc(CN[C@H]2c3ccccc3OC[C@H]2F)c1Cl ZINC000922521940 1020112749 /nfs/dbraw/zinc/11/27/49/1020112749.db2.gz OKFMQPYIZDXPFE-WBMJQRKESA-N -1 1 307.752 3.607 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000111666316 1020147910 /nfs/dbraw/zinc/14/79/10/1020147910.db2.gz SKBIKNLNHJRNIQ-STQMWFEESA-N -1 1 305.736 3.927 20 0 DHADMM CCOc1ccc(CC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000111665933 1020148334 /nfs/dbraw/zinc/14/83/34/1020148334.db2.gz LRSWENIIOVKVJS-UHFFFAOYSA-N -1 1 305.761 3.626 20 0 DHADMM O=C(COc1ccccc1Cl)Nc1ccc([O-])c(Cl)c1 ZINC000111666863 1020149386 /nfs/dbraw/zinc/14/93/86/1020149386.db2.gz JHYGNCSKZNLTAH-UHFFFAOYSA-N -1 1 312.152 3.717 20 0 DHADMM COCOc1ccc(Cl)cc1[N-]c1nnc(C(C)(C)C)o1 ZINC001214415794 1020233025 /nfs/dbraw/zinc/23/30/25/1020233025.db2.gz AAKBRNTZYGNRRL-UHFFFAOYSA-N -1 1 311.769 3.747 20 0 DHADMM CC(C)[C@@H](N[C@@H](C)c1ccc(F)cc1[O-])C(=O)OC(C)(C)C ZINC000186371539 1020271342 /nfs/dbraw/zinc/27/13/42/1020271342.db2.gz AWACHLJDNIPJMR-XHDPSFHLSA-N -1 1 311.397 3.548 20 0 DHADMM O=c1nc(NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc(Cl)[n-]1 ZINC000858440241 1032896474 /nfs/dbraw/zinc/89/64/74/1032896474.db2.gz OGBXZLQSEOLSOB-HTQZYQBOSA-N -1 1 309.719 3.616 20 0 DHADMM O=c1nc(NCC2(Cc3ccccc3)CCC2)cc(Cl)[n-]1 ZINC000858444386 1032897587 /nfs/dbraw/zinc/89/75/87/1032897587.db2.gz WQMUKROESDAIEZ-UHFFFAOYSA-N -1 1 303.793 3.661 20 0 DHADMM COc1ccc(CN(C)C(=O)c2c([O-])cccc2Cl)cc1C ZINC000728609221 1020442121 /nfs/dbraw/zinc/44/21/21/1020442121.db2.gz SMWMLWDYFXZUJG-UHFFFAOYSA-N -1 1 319.788 3.635 20 0 DHADMM Cc1nonc1C(=O)[N-]c1ccccc1SC1CCCC1 ZINC000733874888 1020452795 /nfs/dbraw/zinc/45/27/95/1020452795.db2.gz REWQMLXLKUNMRK-UHFFFAOYSA-N -1 1 303.387 3.665 20 0 DHADMM CC[C@@H](C)Cc1c(C)sc2nc(-c3ccon3)[n-]c(=O)c12 ZINC000673697058 1020452691 /nfs/dbraw/zinc/45/26/91/1020452691.db2.gz MEETWWYOYMMJPR-MRVPVSSYSA-N -1 1 303.387 3.949 20 0 DHADMM Cc1cnc(SCc2ccc(Br)s2)[n-]c1=O ZINC000309317167 1020856870 /nfs/dbraw/zinc/85/68/70/1020856870.db2.gz GHFHKBSSZJKNIP-UHFFFAOYSA-N -1 1 317.233 3.607 20 0 DHADMM CC(C)c1ncc(S(=O)(=O)Oc2ccc(C(C)(C)C)cc2)[n-]1 ZINC000741157637 1020986318 /nfs/dbraw/zinc/98/63/18/1020986318.db2.gz JVGGAZRTARPWDE-UHFFFAOYSA-N -1 1 322.430 3.598 20 0 DHADMM CC(C)c1nc(S(=O)(=O)Oc2ccc(C(C)(C)C)cc2)c[n-]1 ZINC000741157637 1020986326 /nfs/dbraw/zinc/98/63/26/1020986326.db2.gz JVGGAZRTARPWDE-UHFFFAOYSA-N -1 1 322.430 3.598 20 0 DHADMM Cc1cccc(O[C@@H](C)CNC(=O)c2c([O-])cccc2Cl)c1 ZINC000743712100 1021354266 /nfs/dbraw/zinc/35/42/66/1021354266.db2.gz JWGVCQUKQWOBFY-LBPRGKRZSA-N -1 1 319.788 3.551 20 0 DHADMM Cc1ccccc1O[C@H](C)CNC(=O)c1c([O-])cccc1Cl ZINC000743718393 1021355958 /nfs/dbraw/zinc/35/59/58/1021355958.db2.gz NYPZQHVGDHMZLE-GFCCVEGCSA-N -1 1 319.788 3.551 20 0 DHADMM CCC(CC)(CNC(=O)c1c([O-])cccc1Cl)SC ZINC000743754953 1021357521 /nfs/dbraw/zinc/35/75/21/1021357521.db2.gz YFYBNQGOFVQOPC-UHFFFAOYSA-N -1 1 301.839 3.697 20 0 DHADMM COc1cc(C(=O)N[C@@H]2CCCC3(CC3)C2)cc(Cl)c1[O-] ZINC000888704378 1032976056 /nfs/dbraw/zinc/97/60/56/1032976056.db2.gz JPAQBRUFFZQAKY-LLVKDONJSA-N -1 1 309.793 3.507 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H](CCF)C1 ZINC000618687781 1021479542 /nfs/dbraw/zinc/47/95/42/1021479542.db2.gz WSWZXTWKFMJSRV-ZDUSSCGKSA-N -1 1 301.361 3.757 20 0 DHADMM CC(=O)c1ccc(OC(=O)c2cccc(Cl)c2[O-])c(C)c1 ZINC001125846907 1021479626 /nfs/dbraw/zinc/47/96/26/1021479626.db2.gz ANMFUYLJHCXTQH-UHFFFAOYSA-N -1 1 304.729 3.776 20 0 DHADMM O=C([O-])CCN(Cc1sccc1Cl)Cc1ccccc1 ZINC000659790384 1021528342 /nfs/dbraw/zinc/52/83/42/1021528342.db2.gz QPCWPIBILZQMJU-UHFFFAOYSA-N -1 1 309.818 3.878 20 0 DHADMM O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc([O-])cc1F ZINC000181920379 1021529319 /nfs/dbraw/zinc/52/93/19/1021529319.db2.gz WGZXKFRGLKATBE-UHFFFAOYSA-N -1 1 317.213 3.942 20 0 DHADMM O=C(NCc1cccc2cccnc21)c1c([O-])cccc1Cl ZINC000745190065 1021676969 /nfs/dbraw/zinc/67/69/69/1021676969.db2.gz ZLXLNWLULIGJKU-UHFFFAOYSA-N -1 1 312.756 3.524 20 0 DHADMM CCc1nc(SCC(=O)c2cc(C)ccc2C)[n-]c(=O)c1C ZINC000565242507 1021830031 /nfs/dbraw/zinc/83/00/31/1021830031.db2.gz PTDQJYMQVXECPQ-UHFFFAOYSA-N -1 1 316.426 3.645 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)c1cnc(-c2ccco2)s1 ZINC001625893730 1021991789 /nfs/dbraw/zinc/99/17/89/1021991789.db2.gz LLBQQZWAVHPQQA-UHFFFAOYSA-N -1 1 322.292 3.639 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC(c2ccon2)CC1 ZINC000620220186 1022092137 /nfs/dbraw/zinc/09/21/37/1022092137.db2.gz VOFZDKKFQLVCOE-UHFFFAOYSA-N -1 1 322.364 3.553 20 0 DHADMM O=C(N[C@H]1CCCc2ccccc21)c1c([O-])cccc1Cl ZINC000920422546 1022119498 /nfs/dbraw/zinc/11/94/98/1022119498.db2.gz CHDZYQVXUJHSJG-AWEZNQCLSA-N -1 1 301.773 3.853 20 0 DHADMM C[C@H](CCc1ccccc1)NC(=O)c1c([O-])cccc1Cl ZINC000920430521 1022125679 /nfs/dbraw/zinc/12/56/79/1022125679.db2.gz YNPAKPKRPGVOGE-GFCCVEGCSA-N -1 1 303.789 3.797 20 0 DHADMM C[C@H](c1ccco1)N(C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876392990 1033035255 /nfs/dbraw/zinc/03/52/55/1033035255.db2.gz GJAPSPAGZCOLKO-SNVBAGLBSA-N -1 1 308.765 3.541 20 0 DHADMM Cc1ccc(CN(C)C(=O)NCc2ccc([O-])c(Cl)c2)s1 ZINC000876392849 1033035279 /nfs/dbraw/zinc/03/52/79/1033035279.db2.gz AYMDCOQYQIKAQT-UHFFFAOYSA-N -1 1 324.833 3.757 20 0 DHADMM C[C@@H]1CC2(CCC2)CN1C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876395478 1033037810 /nfs/dbraw/zinc/03/78/10/1033037810.db2.gz JSGCRRCZEPBYGX-LLVKDONJSA-N -1 1 308.809 3.520 20 0 DHADMM CN(C[C@H]1CCc2ccccc21)C(=O)c1cc(Cl)ccc1[O-] ZINC000620682107 1022231952 /nfs/dbraw/zinc/23/19/52/1022231952.db2.gz FHTDGCJUFPXPOK-CYBMUJFWSA-N -1 1 315.800 3.848 20 0 DHADMM CC(C)[C@@H](C)N(C(=O)NCc1ccc([O-])c(Cl)c1)C1CC1 ZINC000876394214 1033038321 /nfs/dbraw/zinc/03/83/21/1033038321.db2.gz SAKCOQKDFXTVLE-LLVKDONJSA-N -1 1 310.825 3.764 20 0 DHADMM CN(C[C@H]1CC=CCC1)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876395887 1033038420 /nfs/dbraw/zinc/03/84/20/1033038420.db2.gz RCHPLARQPXVPHM-LBPRGKRZSA-N -1 1 308.809 3.543 20 0 DHADMM [O-]c1ccc(-c2noc(CC[C@H]3CC3(Cl)Cl)n2)cc1F ZINC000854050652 1022397688 /nfs/dbraw/zinc/39/76/88/1022397688.db2.gz HZCLOEJOTYUAQH-QMMMGPOBSA-N -1 1 317.147 3.708 20 0 DHADMM CCC[C@@H]1C[C@@H](C(=O)Nc2cc(F)c([O-])cc2Cl)CCO1 ZINC000885675821 1022445619 /nfs/dbraw/zinc/44/56/19/1022445619.db2.gz BYEHALURVKQFHR-VHSXEESVSA-N -1 1 315.772 3.719 20 0 DHADMM CCO[C@H](CC(=O)Nc1cc(F)c([O-])cc1Cl)C(C)C ZINC000885675914 1022445664 /nfs/dbraw/zinc/44/56/64/1022445664.db2.gz FKQINMIKMOYABD-CYBMUJFWSA-N -1 1 303.761 3.574 20 0 DHADMM O=C(CCCc1csc2ccccc12)[N-]OCC(F)(F)F ZINC000766776678 1022489946 /nfs/dbraw/zinc/48/99/46/1022489946.db2.gz RZAUCWCJRDUPAC-UHFFFAOYSA-N -1 1 317.332 3.834 20 0 DHADMM CC1(C)CCCN(Cn2c(Cc3cccs3)n[n-]c2=S)C1 ZINC000112695178 1022533055 /nfs/dbraw/zinc/53/30/55/1022533055.db2.gz QSGSYIZNQQFQFO-UHFFFAOYSA-N -1 1 322.503 3.672 20 0 DHADMM O=C(c1cncc([O-])c1)N1Cc2ccccc2-c2ccccc21 ZINC000670773528 1022536998 /nfs/dbraw/zinc/53/69/98/1022536998.db2.gz DZKUPWLKXKINBV-UHFFFAOYSA-N -1 1 302.333 3.615 20 0 DHADMM CC(C)N(C)c1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1F ZINC000767305194 1022686584 /nfs/dbraw/zinc/68/65/84/1022686584.db2.gz NCLNFUGLDXPEAX-UHFFFAOYSA-N -1 1 320.339 3.767 20 0 DHADMM C/C=C/c1ccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)cc1 ZINC000584861275 1022820452 /nfs/dbraw/zinc/82/04/52/1022820452.db2.gz FCNNTNIKTZYFGD-ONEGZZNKSA-N -1 1 321.373 3.668 20 0 DHADMM CON(Cc1ccccc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000180847187 1022846964 /nfs/dbraw/zinc/84/69/64/1022846964.db2.gz RMUZGDFHJKRTEL-UHFFFAOYSA-N -1 1 307.349 3.749 20 0 DHADMM CC(C)N(CC1CC1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000538510381 1033090140 /nfs/dbraw/zinc/09/01/40/1033090140.db2.gz GCXOXZIXBDZXTK-UHFFFAOYSA-N -1 1 301.308 3.672 20 0 DHADMM O=C(c1ccc([O-])c(F)c1)N1CCC(c2ccc(F)cc2)CC1 ZINC000768248741 1022932249 /nfs/dbraw/zinc/93/22/49/1022932249.db2.gz WEZJXOOLCRTSQD-UHFFFAOYSA-N -1 1 317.335 3.690 20 0 DHADMM CCOC(=O)c1cnoc1[N-]c1cccc(OC(C)C)c1F ZINC001212317971 1022970565 /nfs/dbraw/zinc/97/05/65/1022970565.db2.gz JRYZXAIJVAKJBX-UHFFFAOYSA-N -1 1 308.309 3.521 20 0 DHADMM O=C([N-]CCCSCc1ccc(Cl)cc1)C(F)(F)F ZINC000768610489 1022999286 /nfs/dbraw/zinc/99/92/86/1022999286.db2.gz UUPUKNUDNKCABV-UHFFFAOYSA-N -1 1 311.756 3.642 20 0 DHADMM O=C(c1ncc2ccccc2c1[O-])N1CCC(C2CCC2)CC1 ZINC000617769252 1023049126 /nfs/dbraw/zinc/04/91/26/1023049126.db2.gz TWEPAZVFCZYFGR-UHFFFAOYSA-N -1 1 310.397 3.593 20 0 DHADMM CCc1cccnc1[N-]S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000768863940 1023051661 /nfs/dbraw/zinc/05/16/61/1023051661.db2.gz FTFGWUPAIAMLAX-CSKARUKUSA-N -1 1 322.817 3.710 20 0 DHADMM O=C(NCc1c(Cl)cccc1Cl)c1c([O-])cccc1F ZINC000622299317 1023107201 /nfs/dbraw/zinc/10/72/01/1023107201.db2.gz STWCTHIHFMJTHP-UHFFFAOYSA-N -1 1 314.143 3.768 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N(CCc1ccccc1)C1CC1 ZINC000769734775 1023206499 /nfs/dbraw/zinc/20/64/99/1023206499.db2.gz FOHGOMXCMPYWRR-UHFFFAOYSA-N -1 1 315.800 3.893 20 0 DHADMM CC[C@@](C)(NC(=O)c1c([O-])cccc1Cl)c1nc(C)cs1 ZINC000769915767 1023232770 /nfs/dbraw/zinc/23/27/70/1023232770.db2.gz BABRRKXARSSKDH-OAHLLOKOSA-N -1 1 324.833 3.866 20 0 DHADMM O=C(N[C@@H](c1cccs1)C1CC1)c1cc(Cl)ccc1[O-] ZINC001141317853 1023334736 /nfs/dbraw/zinc/33/47/36/1023334736.db2.gz MYMQMTDHHKVVQM-CQSZACIVSA-N -1 1 307.802 3.988 20 0 DHADMM CCOc1cc(-c2noc(/C=C\SC)n2)cc(Cl)c1[O-] ZINC000771109429 1023397887 /nfs/dbraw/zinc/39/78/87/1023397887.db2.gz PNLLBIGLTNXGNX-PLNGDYQASA-N -1 1 312.778 3.828 20 0 DHADMM [O-]c1ccc(-c2noc(/C=C/c3ccccc3F)n2)c(F)c1 ZINC000771199868 1023404351 /nfs/dbraw/zinc/40/43/51/1023404351.db2.gz RKMWDIDSJSFALB-VMPITWQZSA-N -1 1 300.264 3.891 20 0 DHADMM [O-]c1ccc(-c2noc(/C=C/c3ccccc3F)n2)cc1F ZINC000771222489 1023412287 /nfs/dbraw/zinc/41/22/87/1023412287.db2.gz PRNRZAKAFNKNRJ-SOFGYWHQSA-N -1 1 300.264 3.891 20 0 DHADMM Cc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c(Cl)n1 ZINC000771222703 1023412465 /nfs/dbraw/zinc/41/24/65/1023412465.db2.gz HWWMPXHFUOHWKT-UHFFFAOYSA-N -1 1 305.696 3.605 20 0 DHADMM C[C@H](NC(=O)c1c([O-])cccc1F)c1nc(C(C)(C)C)cs1 ZINC000123494903 1023476035 /nfs/dbraw/zinc/47/60/35/1023476035.db2.gz RTKYHSJSYGZAFQ-VIFPVBQESA-N -1 1 322.405 3.776 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)s1 ZINC000048652350 1023801419 /nfs/dbraw/zinc/80/14/19/1023801419.db2.gz PSLLFACGMMBIEP-UHFFFAOYSA-N -1 1 301.820 3.765 20 0 DHADMM CSc1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000048652509 1023801664 /nfs/dbraw/zinc/80/16/64/1023801664.db2.gz NSHKOKWMDONUBW-UHFFFAOYSA-N -1 1 311.403 3.657 20 0 DHADMM CCCc1nc(C(=O)[N-]c2c(F)ccc(OCC)c2F)co1 ZINC000337752414 1033163488 /nfs/dbraw/zinc/16/34/88/1033163488.db2.gz AAMDWQUZZKWCAG-UHFFFAOYSA-N -1 1 310.300 3.556 20 0 DHADMM C[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000652366745 1023818097 /nfs/dbraw/zinc/81/80/97/1023818097.db2.gz NHIUTNBKXVYZFV-RNCFNFMXSA-N -1 1 302.201 3.851 20 0 DHADMM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C)s2)c1 ZINC000049124542 1023838426 /nfs/dbraw/zinc/83/84/26/1023838426.db2.gz YZWAWVMFOXRJJY-UHFFFAOYSA-N -1 1 317.819 3.519 20 0 DHADMM CCN(Cc1ccoc1)Cc1nc2ccccc2c(C)c1C(=O)[O-] ZINC000652408233 1023849077 /nfs/dbraw/zinc/84/90/77/1023849077.db2.gz OCGXOTFLRQDOOB-UHFFFAOYSA-N -1 1 324.380 3.857 20 0 DHADMM Cc1onc(OC(F)F)c1[N-]C(=O)c1ccc(Cl)s1 ZINC000788111148 1023856359 /nfs/dbraw/zinc/85/63/59/1023856359.db2.gz MJHMSLKQLDHIBQ-UHFFFAOYSA-N -1 1 308.693 3.552 20 0 DHADMM CCOc1cc(C(=O)N2CCC23CCCC3)cc(Cl)c1[O-] ZINC000652583191 1023938336 /nfs/dbraw/zinc/93/83/36/1023938336.db2.gz SCCGAUSTOLOKKU-UHFFFAOYSA-N -1 1 309.793 3.603 20 0 DHADMM CCc1cc(=O)[n-]c(SC[C@H]2CC[C@@H](c3ccccc3)O2)n1 ZINC000882154996 1023978139 /nfs/dbraw/zinc/97/81/39/1023978139.db2.gz CMGMNRCDMVLAQL-CABCVRRESA-N -1 1 316.426 3.757 20 0 DHADMM C[C@@H]1c2sccc2CCN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000882179049 1023989059 /nfs/dbraw/zinc/98/90/59/1023989059.db2.gz IFSMUSOIIQCNOK-SNVBAGLBSA-N -1 1 321.829 3.796 20 0 DHADMM C[C@@]1(C(=O)[O-])CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000062876751 1024104650 /nfs/dbraw/zinc/10/46/50/1024104650.db2.gz YVQBPBKXQXWLLL-CQSZACIVSA-N -1 1 302.201 3.680 20 0 DHADMM C[C@]1(C(=O)[O-])CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000062876750 1024105501 /nfs/dbraw/zinc/10/55/01/1024105501.db2.gz YVQBPBKXQXWLLL-AWEZNQCLSA-N -1 1 302.201 3.680 20 0 DHADMM Cc1c(=O)[n-]n(-c2ccccc2)c1N[C@@H](C)CCOCC(C)C ZINC001172468897 1033186570 /nfs/dbraw/zinc/18/65/70/1033186570.db2.gz QBIRKKVGJCSWOD-AWEZNQCLSA-N -1 1 317.433 3.749 20 0 DHADMM CCOc1cc(C(=O)NCC2=CCCCC2)cc(Cl)c1[O-] ZINC000452704515 1024165636 /nfs/dbraw/zinc/16/56/36/1024165636.db2.gz ITODAKDERRVWBI-UHFFFAOYSA-N -1 1 309.793 3.675 20 0 DHADMM O=S(=O)([N-]CCC1=CCCCC1)c1cc2ccccc2o1 ZINC000531486531 1024182056 /nfs/dbraw/zinc/18/20/56/1024182056.db2.gz SFQRHJZABPGQTI-UHFFFAOYSA-N -1 1 305.399 3.602 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000789930546 1024183904 /nfs/dbraw/zinc/18/39/04/1024183904.db2.gz WFTLDIAIVVPJER-UHFFFAOYSA-N -1 1 316.666 3.712 20 0 DHADMM CC[C@@H](OC1CCCCC1)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790064380 1024217964 /nfs/dbraw/zinc/21/79/64/1024217964.db2.gz XSUVIZYYIXOGKK-GFCCVEGCSA-N -1 1 312.797 3.507 20 0 DHADMM CC[C@H](OC1CCCCC1)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790064382 1024218685 /nfs/dbraw/zinc/21/86/85/1024218685.db2.gz XSUVIZYYIXOGKK-LBPRGKRZSA-N -1 1 312.797 3.507 20 0 DHADMM COc1ccccc1C[C@H](C)CC(=O)Nc1ccc(F)cc1[O-] ZINC000531756343 1024301299 /nfs/dbraw/zinc/30/12/99/1024301299.db2.gz RCPYMYOQHBTPRD-LBPRGKRZSA-N -1 1 317.360 3.747 20 0 DHADMM COc1ccc(CCC(=O)Nc2ccc(F)cc2[O-])cc1Cl ZINC000531755826 1024302345 /nfs/dbraw/zinc/30/23/45/1024302345.db2.gz DDCBSRFYVYWRJG-UHFFFAOYSA-N -1 1 323.751 3.765 20 0 DHADMM O=S(=O)([N-]c1cccc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000007402280 1024405454 /nfs/dbraw/zinc/40/54/54/1024405454.db2.gz LJXLOSFWZBLFMW-UHFFFAOYSA-N -1 1 320.172 3.933 20 0 DHADMM Cc1ccc2c(c1)CCN(C(=O)c1c([O-])cccc1Cl)C2 ZINC000790987334 1024412213 /nfs/dbraw/zinc/41/22/13/1024412213.db2.gz BIWAXAQNVTZAKB-UHFFFAOYSA-N -1 1 301.773 3.553 20 0 DHADMM CC(C)CON=c1cc(C(F)(F)F)[n-]c(-c2cccnc2)n1 ZINC000271078677 1024454107 /nfs/dbraw/zinc/45/41/07/1024454107.db2.gz XTEXBXRCYHRDIA-UHFFFAOYSA-N -1 1 312.295 3.557 20 0 DHADMM O=C([N-]c1nnc(C2CCCCC2)s1)c1ccnc(F)c1F ZINC000791485488 1024504391 /nfs/dbraw/zinc/50/43/91/1024504391.db2.gz ZSEOQAZZBSFZSD-UHFFFAOYSA-N -1 1 324.356 3.511 20 0 DHADMM CCC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000532129196 1024560270 /nfs/dbraw/zinc/56/02/70/1024560270.db2.gz QXISCLSOHVEOEO-UHFFFAOYSA-N -1 1 303.745 3.891 20 0 DHADMM O=S(=O)([N-]c1ccc2ncsc2c1)c1cccc(Cl)c1 ZINC000033625006 1024631296 /nfs/dbraw/zinc/63/12/96/1024631296.db2.gz YADLCYKBTHVEAF-UHFFFAOYSA-N -1 1 324.814 3.751 20 0 DHADMM Cc1nc(-c2ccc(N[C@@H]3CC=CC[C@H]3C)nc2)[n-]c(=O)c1C ZINC000897393662 1024705977 /nfs/dbraw/zinc/70/59/77/1024705977.db2.gz RPXQZHFCACKDDY-IAQYHMDHSA-N -1 1 310.401 3.628 20 0 DHADMM O=c1cc(C(F)(F)F)nc(SCc2ccnc(Cl)c2)[n-]1 ZINC000261393273 1024760687 /nfs/dbraw/zinc/76/06/87/1024760687.db2.gz HLVVTRVRVPPCTC-UHFFFAOYSA-N -1 1 321.711 3.542 20 0 DHADMM O=C([O-])[C@H](CCF)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000653506935 1024767549 /nfs/dbraw/zinc/76/75/49/1024767549.db2.gz RZAPOSMAXTZJEI-ZDUSSCGKSA-N -1 1 311.740 3.502 20 0 DHADMM [O-]c1ccc(F)cc1-c1nc([C@@H]2CCc3ccccc3C2)no1 ZINC000322845877 1024804294 /nfs/dbraw/zinc/80/42/94/1024804294.db2.gz MSIDACBJGZSZAI-CYBMUJFWSA-N -1 1 310.328 3.854 20 0 DHADMM O=C([O-])[C@H]1CCCCN1Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000263424729 1024986391 /nfs/dbraw/zinc/98/63/91/1024986391.db2.gz QCXUQGDATYNCHQ-GFCCVEGCSA-N -1 1 321.726 3.798 20 0 DHADMM CCc1cccc(CC)c1S(=O)(=O)[N-]c1c(C)ccnc1C ZINC000666379894 1025008829 /nfs/dbraw/zinc/00/88/29/1025008829.db2.gz QKXDHXWLQXOAKO-UHFFFAOYSA-N -1 1 318.442 3.624 20 0 DHADMM CCn1ccnc1[C@@H]1CCCCN1Cc1cccc([O-])c1Cl ZINC000353341864 1025036316 /nfs/dbraw/zinc/03/63/16/1025036316.db2.gz ZPTSHKFAENHGBM-AWEZNQCLSA-N -1 1 319.836 3.989 20 0 DHADMM COc1ccc(NC(=O)Nc2cc(F)c([O-])c(F)c2)c(C)c1 ZINC001202725616 1025081334 /nfs/dbraw/zinc/08/13/34/1025081334.db2.gz NENWRJHAYALMHK-UHFFFAOYSA-N -1 1 308.284 3.631 20 0 DHADMM [O-]c1cccc(CN2Cc3ccc(O)cc3C3(CC3)C2)c1Cl ZINC000353574124 1025138625 /nfs/dbraw/zinc/13/86/25/1025138625.db2.gz ZJBMYLOPLCUFGR-UHFFFAOYSA-N -1 1 315.800 3.799 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cc(C2CC2)cnc1Cl ZINC000793941585 1025202768 /nfs/dbraw/zinc/20/27/68/1025202768.db2.gz MSRIGVNRVIWRJP-UHFFFAOYSA-N -1 1 324.167 3.619 20 0 DHADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(F)c2)cc1 ZINC000614826392 1025295535 /nfs/dbraw/zinc/29/55/35/1025295535.db2.gz DSLAHUFRTHYJNY-UHFFFAOYSA-N -1 1 323.389 3.588 20 0 DHADMM CCC(CC)N(CCOC)C(=O)c1ccc2ccccc2c1[O-] ZINC000320266397 1025323468 /nfs/dbraw/zinc/32/34/68/1025323468.db2.gz APDLDXLUFJKVKW-UHFFFAOYSA-N -1 1 315.413 3.823 20 0 DHADMM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885676671 1025378073 /nfs/dbraw/zinc/37/80/73/1025378073.db2.gz RGDQCJDEFJFNMY-YMTOWFKASA-N -1 1 315.772 3.719 20 0 DHADMM CCS[C@@H](C(=O)Nc1cc(F)c([O-])cc1Cl)C(C)C ZINC000885674809 1025378139 /nfs/dbraw/zinc/37/81/39/1025378139.db2.gz VYSNPHRPMIRNTJ-GFCCVEGCSA-N -1 1 305.802 3.901 20 0 DHADMM Cc1noc(C2CC2)c1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885676056 1025378179 /nfs/dbraw/zinc/37/81/79/1025378179.db2.gz HXFLHKAAQAMBCM-UHFFFAOYSA-N -1 1 310.712 3.611 20 0 DHADMM CC[C@H](C)CC[C@@H](O)CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678108 1025380074 /nfs/dbraw/zinc/38/00/74/1025380074.db2.gz JIWKASJJKQKLJI-VHSXEESVSA-N -1 1 317.788 3.701 20 0 DHADMM CC[C@H](C)CC[C@H](O)CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678107 1025382043 /nfs/dbraw/zinc/38/20/43/1025382043.db2.gz JIWKASJJKQKLJI-UWVGGRQHSA-N -1 1 317.788 3.701 20 0 DHADMM CC(C)[C@@H](C(=O)Nc1cc(F)c([O-])cc1Cl)c1cccnc1 ZINC000885678258 1025382201 /nfs/dbraw/zinc/38/22/01/1025382201.db2.gz LANNBCLOHKMQHA-OAHLLOKOSA-N -1 1 322.767 3.958 20 0 DHADMM CC(C)(C)CC[C@H](NCc1cnc(C(C)(C)C)s1)C(=O)[O-] ZINC000426735075 1025523546 /nfs/dbraw/zinc/52/35/46/1025523546.db2.gz RVAMCFYQHVOXOJ-LBPRGKRZSA-N -1 1 312.479 3.810 20 0 DHADMM Cc1nccc(CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)n1 ZINC000355930059 1025888074 /nfs/dbraw/zinc/88/80/74/1025888074.db2.gz NLSTYRHCEZRVBF-UHFFFAOYSA-N -1 1 324.409 3.548 20 0 DHADMM C[C@H](c1cc(Cl)ccc1Cl)N1CCC[C@H](C(=O)[O-])C1 ZINC000086728649 1026020443 /nfs/dbraw/zinc/02/04/43/1026020443.db2.gz PBNHYKBSVDYYRM-ZJUUUORDSA-N -1 1 302.201 3.851 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC[C@H]1CCCC[C@@H]1C ZINC000747396111 1026062110 /nfs/dbraw/zinc/06/21/10/1026062110.db2.gz VYGYYNGHMDBYLA-GXTWGEPZSA-N -1 1 319.449 3.560 20 0 DHADMM [O-]c1cccc(CN2CCOc3ccc(F)cc3C2)c1Cl ZINC000513304408 1026473423 /nfs/dbraw/zinc/47/34/23/1026473423.db2.gz YASGYFHNSAORCL-UHFFFAOYSA-N -1 1 307.752 3.579 20 0 DHADMM CC(C)CN(Cc1ccccc1F)C(=O)c1ccc(F)c([O-])c1 ZINC001625923648 1026677362 /nfs/dbraw/zinc/67/73/62/1026677362.db2.gz MALBIIQEXAMFQB-UHFFFAOYSA-N -1 1 319.351 3.969 20 0 DHADMM Cc1ccnc(C)c1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000414454396 1026814123 /nfs/dbraw/zinc/81/41/23/1026814123.db2.gz QLNOFAPHLBSMNF-UHFFFAOYSA-N -1 1 318.442 3.733 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@]23C[C@@H]2CCC3)c1 ZINC000421800083 1027053727 /nfs/dbraw/zinc/05/37/27/1027053727.db2.gz GIHMOBKHCNZALE-XPTSAGLGSA-N -1 1 310.191 3.592 20 0 DHADMM CSCC[C@H](C)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000271825786 1027154998 /nfs/dbraw/zinc/15/49/98/1027154998.db2.gz AISCXGGOQTXOAW-VIFPVBQESA-N -1 1 321.364 3.625 20 0 DHADMM CCCN(CC(F)F)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000271862512 1027168381 /nfs/dbraw/zinc/16/83/81/1027168381.db2.gz LVXGOQASKJOWJF-UHFFFAOYSA-N -1 1 311.250 3.528 20 0 DHADMM CCc1nc(S[C@@H](C)c2cccc(OC)c2)[n-]c(=O)c1C ZINC000572258499 1027185284 /nfs/dbraw/zinc/18/52/84/1027185284.db2.gz POWSCYADNUFNBJ-NSHDSACASA-N -1 1 304.415 3.915 20 0 DHADMM C[C@@H](N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-])C1(C)CC1 ZINC000271961199 1027188693 /nfs/dbraw/zinc/18/86/93/1027188693.db2.gz FWZAQXGCSGVJNC-SECBINFHSA-N -1 1 301.308 3.672 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1nc2ccccc2cc1Cl ZINC000573257767 1027274628 /nfs/dbraw/zinc/27/46/28/1027274628.db2.gz MSESRNSDIHLPEY-UHFFFAOYSA-N -1 1 316.719 3.985 20 0 DHADMM COc1ccc([C@@H]2CCCN2Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000575413089 1027483400 /nfs/dbraw/zinc/48/34/00/1027483400.db2.gz WZEBZEYQPKPNDG-KRWDZBQOSA-N -1 1 315.369 3.632 20 0 DHADMM CCc1nc(SCc2cccc(C(C)=O)c2)[n-]c(=O)c1C ZINC000576768489 1027657749 /nfs/dbraw/zinc/65/77/49/1027657749.db2.gz UWUIVKABTJBMLV-UHFFFAOYSA-N -1 1 302.399 3.548 20 0 DHADMM CC(C)(C)CCOCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000814749974 1028192304 /nfs/dbraw/zinc/19/23/04/1028192304.db2.gz SKXIKYJRFPJFEQ-UHFFFAOYSA-N -1 1 310.341 3.703 20 0 DHADMM CC(C)c1cccnc1[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000578635385 1028201874 /nfs/dbraw/zinc/20/18/74/1028201874.db2.gz CTSJNEUUACTZLJ-UHFFFAOYSA-N -1 1 324.833 3.800 20 0 DHADMM CCc1nc(SCCOc2ccccc2Cl)[n-]c(=O)c1C ZINC000563898085 1028233109 /nfs/dbraw/zinc/23/31/09/1028233109.db2.gz ANSAOFMFQXRXKY-UHFFFAOYSA-N -1 1 324.833 3.878 20 0 DHADMM CCOc1cc(-c2noc([C@@]34C[C@@H]3CCC4)n2)cc(Cl)c1[O-] ZINC000578856452 1028258629 /nfs/dbraw/zinc/25/86/29/1028258629.db2.gz IVEGWUAAZLIPNY-QFYYESIMSA-N -1 1 320.776 3.936 20 0 DHADMM CCc1nc(SCCCOCc2ccccc2)[n-]c(=O)c1C ZINC000579253236 1028363623 /nfs/dbraw/zinc/36/36/23/1028363623.db2.gz MOFDAYNJXVGPNC-UHFFFAOYSA-N -1 1 318.442 3.752 20 0 DHADMM CC1(/C=C/c2nc(-c3ccc([O-])cc3Cl)no2)CCOCC1 ZINC000579437442 1028408279 /nfs/dbraw/zinc/40/82/79/1028408279.db2.gz NGBFXSMZDRRTRW-SNAWJCMRSA-N -1 1 320.776 3.926 20 0 DHADMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(Cl)s1)C(C)(C)C ZINC001257508089 1028536979 /nfs/dbraw/zinc/53/69/79/1028536979.db2.gz HTZMWRWGYLTUEM-LURJTMIESA-N -1 1 316.275 3.768 20 0 DHADMM CCCCOc1ccccc1CNCc1ccc(C(=O)[O-])cc1 ZINC000076273424 1028573931 /nfs/dbraw/zinc/57/39/31/1028573931.db2.gz YQESWTGXAKAWQP-UHFFFAOYSA-N -1 1 313.397 3.854 20 0 DHADMM Cc1cnc(C(=O)N2CCC(C3CCCCC3)CC2)c([O-])c1 ZINC000778511627 1028668113 /nfs/dbraw/zinc/66/81/13/1028668113.db2.gz LRAIMHPTSOLGIA-UHFFFAOYSA-N -1 1 302.418 3.528 20 0 DHADMM Cc1oc(CN2CC[C@H](C(F)(F)F)C(C)(C)C2)cc1C(=O)[O-] ZINC000566360874 1028710884 /nfs/dbraw/zinc/71/08/84/1028710884.db2.gz CBPOERWVGGTFQY-LBPRGKRZSA-N -1 1 319.323 3.697 20 0 DHADMM Cc1oc(CN2CC[C@@H](C(F)(F)F)C(C)(C)C2)cc1C(=O)[O-] ZINC000566360865 1028711255 /nfs/dbraw/zinc/71/12/55/1028711255.db2.gz CBPOERWVGGTFQY-GFCCVEGCSA-N -1 1 319.323 3.697 20 0 DHADMM CCOc1cc(C(=O)N2CC3(CCC3)C[C@@H]2C)cc(Cl)c1[O-] ZINC000372910338 1028920759 /nfs/dbraw/zinc/92/07/59/1028920759.db2.gz GMNWQDAEAIUBOP-NSHDSACASA-N -1 1 323.820 3.849 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCCN1c1ccccc1 ZINC000373275295 1028995599 /nfs/dbraw/zinc/99/55/99/1028995599.db2.gz QAJUHPBPWRTNCN-HNNXBMFYSA-N -1 1 316.788 3.653 20 0 DHADMM CC1(C)CN(C(=O)c2c([O-])cccc2Cl)[C@H]1c1cccnc1 ZINC000816801695 1029009670 /nfs/dbraw/zinc/00/96/70/1029009670.db2.gz TUOODRXXTVJMQA-HNNXBMFYSA-N -1 1 316.788 3.664 20 0 DHADMM C[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C[C@H](C)C1(F)F ZINC000628387562 1029028262 /nfs/dbraw/zinc/02/82/62/1029028262.db2.gz WBDCHWFSHBDZQW-RYUDHWBXSA-N -1 1 319.351 3.909 20 0 DHADMM CC1(C)CN(C(=O)c2c([O-])cccc2Cl)[C@H]1c1ccncc1 ZINC000817174965 1029089201 /nfs/dbraw/zinc/08/92/01/1029089201.db2.gz CSSWMDAYNXKNEH-HNNXBMFYSA-N -1 1 316.788 3.664 20 0 DHADMM C[C@@H](C(=O)[N-]OCCC1CC1)c1ccc(C(F)(F)F)cc1 ZINC000817371845 1029140222 /nfs/dbraw/zinc/14/02/22/1029140222.db2.gz AKEWTCXFCJFFKG-SNVBAGLBSA-N -1 1 301.308 3.657 20 0 DHADMM C/C(=C\c1ccccc1)CN(C)C(=O)c1c(F)ccc([O-])c1F ZINC000569275380 1029208635 /nfs/dbraw/zinc/20/86/35/1029208635.db2.gz AXYGLSDHPTXLOX-ZRDIBKRKSA-N -1 1 317.335 3.846 20 0 DHADMM Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2ccc(C(=O)[O-])cn2)o1 ZINC000569856862 1029276036 /nfs/dbraw/zinc/27/60/36/1029276036.db2.gz KIDRUUFYOJHUBZ-WBMJQRKESA-N -1 1 314.385 3.654 20 0 DHADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(CC)s2)[n-]c1=O ZINC000570027453 1029302321 /nfs/dbraw/zinc/30/23/21/1029302321.db2.gz JTVSONZZOMLQQL-NTMALXAHSA-N -1 1 318.398 3.543 20 0 DHADMM O=C1CSc2cc(-c3c(F)ccc([O-])c3Cl)ccc2N1 ZINC001245833118 1029347279 /nfs/dbraw/zinc/34/72/79/1029347279.db2.gz ZGVSEXSZRAEVFY-UHFFFAOYSA-N -1 1 309.749 3.896 20 0 DHADMM C[C@@H]1OCC[C@@H]1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529539727 1029381004 /nfs/dbraw/zinc/38/10/04/1029381004.db2.gz SYBDCWCCTZYLBY-UWVGGRQHSA-N -1 1 305.761 3.562 20 0 DHADMM C[C@](O)(CC(=O)Nc1cc(Cl)c([O-])c2ccccc12)C1CC1 ZINC000529540296 1029381380 /nfs/dbraw/zinc/38/13/80/1029381380.db2.gz XRAWBQLFMYZWFK-KRWDZBQOSA-N -1 1 319.788 3.688 20 0 DHADMM Cc1cccc(C)c1[C@@H](C)NC(=O)c1c(F)ccc([O-])c1F ZINC000570606334 1029393349 /nfs/dbraw/zinc/39/33/49/1029393349.db2.gz LOZFFHNHFHAKOI-LLVKDONJSA-N -1 1 305.324 3.778 20 0 DHADMM O=C(CC[C@H]1CCOC1)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529539394 1029400773 /nfs/dbraw/zinc/40/07/73/1029400773.db2.gz ROLLRUHZUMLMIP-NSHDSACASA-N -1 1 319.788 3.954 20 0 DHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(C(F)F)o1 ZINC001136190328 1029494064 /nfs/dbraw/zinc/49/40/64/1029494064.db2.gz APYIATOZIVWLMB-UHFFFAOYSA-N -1 1 319.267 3.565 20 0 DHADMM O=C(CO[C@@H]1CCCc2ccccc21)Nc1cccc(F)c1[O-] ZINC000530005864 1029710046 /nfs/dbraw/zinc/71/00/46/1029710046.db2.gz NAEWVKBNBFAGNJ-MRXNPFEDSA-N -1 1 315.344 3.564 20 0 DHADMM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC000451023408 1029760526 /nfs/dbraw/zinc/76/05/26/1029760526.db2.gz UJNPGVCYQXEAQK-UHFFFAOYSA-N -1 1 305.374 3.812 20 0 DHADMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1csc(C2CCCC2)n1 ZINC000530173661 1029773748 /nfs/dbraw/zinc/77/37/48/1029773748.db2.gz GTZCGYVHDVGQGY-VXGBXAGGSA-N -1 1 322.474 3.874 20 0 DHADMM CC(C)N(Cc1ccccc1F)C(=O)c1cccc([O-])c1F ZINC001136455552 1029843755 /nfs/dbraw/zinc/84/37/55/1029843755.db2.gz IZHJNIODRFTIEW-UHFFFAOYSA-N -1 1 305.324 3.721 20 0 DHADMM CCCC[C@](C)(F)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000821826092 1029875941 /nfs/dbraw/zinc/87/59/41/1029875941.db2.gz BEMGCNRUXPFRDC-INIZCTEOSA-N -1 1 305.353 3.639 20 0 DHADMM COC(=O)c1c[n-]c(S[C@@H](C)c2ccc3c(c2)CCC3)n1 ZINC000413005284 1029910643 /nfs/dbraw/zinc/91/06/43/1029910643.db2.gz MIPCJAXBWHLGAD-JTQLQIEISA-N -1 1 302.399 3.538 20 0 DHADMM CC[C@@H]1CC[C@@H](C)N1c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000357288087 1029979960 /nfs/dbraw/zinc/97/99/60/1029979960.db2.gz NQZGLHSVNKSGPB-IAQYHMDHSA-N -1 1 312.417 3.628 20 0 DHADMM CC(C)C[C@@H]1CCCN1C(=O)c1c([O-])cnc2c(F)cccc21 ZINC001136568448 1029980253 /nfs/dbraw/zinc/98/02/53/1029980253.db2.gz HOCDSDLPVUWUPJ-LBPRGKRZSA-N -1 1 316.376 3.730 20 0 DHADMM COc1cc(C(=O)N(C)[C@H](C)c2ccccc2)cc(Cl)c1[O-] ZINC000357688376 1030152323 /nfs/dbraw/zinc/15/23/23/1030152323.db2.gz AGIMZPDXTLSUBZ-LLVKDONJSA-N -1 1 319.788 3.887 20 0 DHADMM CC(C)c1ncsc1[N-]C(=O)c1ocnc1C(F)(F)F ZINC000823401274 1030278634 /nfs/dbraw/zinc/27/86/34/1030278634.db2.gz XEYVFGIUINSEEV-UHFFFAOYSA-N -1 1 305.281 3.526 20 0 DHADMM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(F)c([O-])c1 ZINC001136827798 1030480670 /nfs/dbraw/zinc/48/06/70/1030480670.db2.gz JINZYXUXRFIHDP-FZMZJTMJSA-N -1 1 317.335 3.689 20 0 DHADMM CN(C(=O)Cc1ccc([O-])c(Cl)c1)C(C)(C)c1ccccc1 ZINC000632935134 1030643768 /nfs/dbraw/zinc/64/37/68/1030643768.db2.gz YRHNFZZLELAPGV-UHFFFAOYSA-N -1 1 317.816 3.982 20 0 DHADMM O=C(N[C@H]1CCc2cc(Cl)ccc21)c1ccc(F)c([O-])c1 ZINC001171069154 1030644461 /nfs/dbraw/zinc/64/44/61/1030644461.db2.gz HVLRASZMJNDCJQ-AWEZNQCLSA-N -1 1 305.736 3.602 20 0 DHADMM CCCc1cc(=O)[n-]c(SCc2ccc(COC)cc2)n1 ZINC000558808211 1030823111 /nfs/dbraw/zinc/82/31/11/1030823111.db2.gz PQKWCBSSLANPDY-UHFFFAOYSA-N -1 1 304.415 3.573 20 0 DHADMM O=C(C=C1CCC1)Nc1c([O-])cc(Br)cc1Cl ZINC000843885947 1030884579 /nfs/dbraw/zinc/88/45/79/1030884579.db2.gz KHXISIWOXLNKIL-UHFFFAOYSA-N -1 1 316.582 3.857 20 0 DHADMM C[C@@H](c1ccccc1F)N(C)CCOc1cccc(C(=O)[O-])c1 ZINC000320432968 1030947119 /nfs/dbraw/zinc/94/71/19/1030947119.db2.gz AZAOLOYJBXXWBW-ZDUSSCGKSA-N -1 1 317.360 3.596 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2ccnn2[C@@H](C)C2CC2)c([O-])c1 ZINC001143758613 1030959730 /nfs/dbraw/zinc/95/97/30/1030959730.db2.gz FBKKXVSCFGPALQ-LBPRGKRZSA-N -1 1 313.401 3.935 20 0 DHADMM CC(C)Cc1cc(NC(=O)c2ccc3ccccc3c2[O-])n[nH]1 ZINC001143795205 1030977140 /nfs/dbraw/zinc/97/71/40/1030977140.db2.gz YXQCFPGVFGNWLS-UHFFFAOYSA-N -1 1 309.369 3.719 20 0 DHADMM Cc1ccc(-c2cc(NC(=O)c3cc(F)ccc3[O-])n[nH]2)s1 ZINC001143981913 1031148503 /nfs/dbraw/zinc/14/85/03/1031148503.db2.gz AMKYTPCSRVLUPW-UHFFFAOYSA-N -1 1 317.345 3.544 20 0 DHADMM C[C@H](C(=O)[N-]OCCCC(F)(F)F)c1cccc(Cl)c1 ZINC000871212871 1031162715 /nfs/dbraw/zinc/16/27/15/1031162715.db2.gz HIQYRQJKVKFNIR-VIFPVBQESA-N -1 1 309.715 3.834 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@@H](OC2CCC2)CC1 ZINC000871333711 1031200992 /nfs/dbraw/zinc/20/09/92/1031200992.db2.gz MFCGALMJQIUODV-CQSZACIVSA-N -1 1 323.820 3.609 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H](OC2CCC2)CC1 ZINC000871333107 1031201565 /nfs/dbraw/zinc/20/15/65/1031201565.db2.gz GVJMQLKCWJBULN-CQSZACIVSA-N -1 1 323.820 3.609 20 0 DHADMM CCc1nc(C)c([N-]S(=O)(=O)/C=C/c2ccc(C)cc2)s1 ZINC000777659293 1031233774 /nfs/dbraw/zinc/23/37/74/1031233774.db2.gz AQLBPJDQGWCJAE-MDZDMXLPSA-N -1 1 322.455 3.735 20 0 DHADMM CCc1cc(=O)[n-]c(SCc2cc(C(F)(F)F)co2)n1 ZINC000871666893 1031261178 /nfs/dbraw/zinc/26/11/78/1031261178.db2.gz VBYDOKCLJZVONE-UHFFFAOYSA-N -1 1 304.293 3.649 20 0 DHADMM Cc1nc(SC2CC(CF)(CF)C2)[n-]c(=O)c1C1CC1 ZINC000871679789 1031264777 /nfs/dbraw/zinc/26/47/77/1031264777.db2.gz RBOQZYSLYLNUTH-UHFFFAOYSA-N -1 1 300.374 3.548 20 0 DHADMM Cc1cnc(C(=O)N2CCC[C@@H]2[C@H](C)c2ccccc2)c([O-])c1 ZINC000928384668 1031294948 /nfs/dbraw/zinc/29/49/48/1031294948.db2.gz LUCWWLWLQJFJII-GDBMZVCRSA-N -1 1 310.397 3.504 20 0 DHADMM CC(C)(C)c1nc(-c2nc(-c3ccc([O-])cc3F)no2)co1 ZINC000871842319 1031339904 /nfs/dbraw/zinc/33/99/04/1031339904.db2.gz AJKVPBAWTHNCGL-UHFFFAOYSA-N -1 1 303.293 3.534 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3csc(C4CC4)n3)n2)c(F)c1 ZINC000871842401 1031339941 /nfs/dbraw/zinc/33/99/41/1031339941.db2.gz DZEBXUJGWVJSIY-UHFFFAOYSA-N -1 1 317.345 3.506 20 0 DHADMM Cc1cc(CN[C@@H](CC(=O)[O-])c2ccccc2Cl)c(C)o1 ZINC000871883208 1031372179 /nfs/dbraw/zinc/37/21/79/1031372179.db2.gz GATLEWCMDBWRFP-HNNXBMFYSA-N -1 1 307.777 3.855 20 0 DHADMM Cc1noc(C(C)C)c1[N-]C(=O)c1noc2c1CCCCC2 ZINC000928787329 1031383407 /nfs/dbraw/zinc/38/34/07/1031383407.db2.gz JQYQNHUSANWJCK-UHFFFAOYSA-N -1 1 303.362 3.616 20 0 DHADMM CC1(C)CCc2c([n-]n([C@H]3CCOC4(CCCC4)C3)c2=O)C1 ZINC000871963144 1031388099 /nfs/dbraw/zinc/38/80/99/1031388099.db2.gz FAJAMLIZPCEURU-KBPBESRZSA-N -1 1 304.434 3.503 20 0 DHADMM O=c1c2c([n-]n1[C@H]1CCOC3(CCCC3)C1)CCCCCC2 ZINC000871964772 1031389328 /nfs/dbraw/zinc/38/93/28/1031389328.db2.gz ZPDUBXKXFQIFRR-LSDHHAIUSA-N -1 1 304.434 3.647 20 0 DHADMM CCc1noc(C)c1[N-]C(=O)c1sc(C(F)(F)F)nc1C ZINC000360394525 1031407822 /nfs/dbraw/zinc/40/78/22/1031407822.db2.gz IHAYYKGZZGNPMH-UHFFFAOYSA-N -1 1 319.308 3.581 20 0 DHADMM CC(C)[C@H](NCc1cccc([O-])c1Cl)c1nc(C2CC2)no1 ZINC000293472348 1031483590 /nfs/dbraw/zinc/48/35/90/1031483590.db2.gz FCWJNALAQDYXAR-AWEZNQCLSA-N -1 1 321.808 3.793 20 0 DHADMM COCc1ccc([C@@H]2CCCN2Cc2cc(C(=O)[O-])cs2)o1 ZINC000872159196 1031540566 /nfs/dbraw/zinc/54/05/66/1031540566.db2.gz AMYODKZTOIBAAO-AWEZNQCLSA-N -1 1 321.398 3.523 20 0 DHADMM [O-]c1cc(F)c(CN2CCc3ccc(Cl)cc3C2)c(F)c1 ZINC001144541966 1031688983 /nfs/dbraw/zinc/68/89/83/1031688983.db2.gz NKUAHTOPICSDBX-UHFFFAOYSA-N -1 1 309.743 3.882 20 0 DHADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1 ZINC000476259162 1031777860 /nfs/dbraw/zinc/77/78/60/1031777860.db2.gz MIAWUPHMCINZGF-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM O=C(Nc1ccc(C2CCC2)cn1)c1c(F)ccc([O-])c1F ZINC000294098671 1031799426 /nfs/dbraw/zinc/79/94/26/1031799426.db2.gz JEQVWUWUBIECAQ-UHFFFAOYSA-N -1 1 304.296 3.585 20 0 DHADMM Cc1ccc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)c(F)c1 ZINC001212688412 1033445243 /nfs/dbraw/zinc/44/52/43/1033445243.db2.gz AISZFTHKNHYEHG-UHFFFAOYSA-N -1 1 312.226 3.593 20 0 DHADMM Cc1ccc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)c(F)c1 ZINC001212688412 1033445267 /nfs/dbraw/zinc/44/52/67/1033445267.db2.gz AISZFTHKNHYEHG-UHFFFAOYSA-N -1 1 312.226 3.593 20 0 DHADMM O=C1N[C@H](c2cccc([O-])c2Cl)Nc2cc(Cl)ccc21 ZINC000877846934 1033484214 /nfs/dbraw/zinc/48/42/14/1033484214.db2.gz KOPIFMSVDKXTOO-CYBMUJFWSA-N -1 1 309.152 3.553 20 0 DHADMM CC(C)CN(C(=O)c1ncc2ccccc2c1[O-])C1CCCC1 ZINC000667508821 1033800381 /nfs/dbraw/zinc/80/03/81/1033800381.db2.gz OTCVXNMRQIDNSB-UHFFFAOYSA-N -1 1 312.413 3.981 20 0 DHADMM COC(=O)c1cc(Br)c([O-])c(Nc2ccccc2)c1 ZINC001173795048 1033866334 /nfs/dbraw/zinc/86/63/34/1033866334.db2.gz BGTYQSTZSUCKQT-UHFFFAOYSA-N -1 1 322.158 3.685 20 0 DHADMM O=C(Nc1cccc(C2CCC2)c1)c1ccc2n[n-]c(=S)n2c1 ZINC000794509964 1034053256 /nfs/dbraw/zinc/05/32/56/1034053256.db2.gz GQCPXRJTMDMUDO-UHFFFAOYSA-N -1 1 324.409 3.538 20 0 DHADMM CCN(CC)C(=O)c1ccc(Nc2c([O-])cc(F)cc2F)cc1 ZINC001174061950 1034066466 /nfs/dbraw/zinc/06/64/66/1034066466.db2.gz KRKBHDRCGUZCSB-UHFFFAOYSA-N -1 1 320.339 3.896 20 0 DHADMM O=C([N-]Oc1ccc(F)cc1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000898573043 1034117338 /nfs/dbraw/zinc/11/73/38/1034117338.db2.gz GJSJIMCVCNGOTH-VHSXEESVSA-N -1 1 305.271 3.604 20 0 DHADMM CC(C)c1nnc([N-]c2ccc(C(=O)N3CCCCC3)cc2)o1 ZINC001174070849 1034130512 /nfs/dbraw/zinc/13/05/12/1034130512.db2.gz UIXXWLTWUJEYIP-UHFFFAOYSA-N -1 1 314.389 3.563 20 0 DHADMM CCN(CC)C(=O)c1cccc(Nc2cc(F)c([O-])cc2F)c1 ZINC001174166871 1034189740 /nfs/dbraw/zinc/18/97/40/1034189740.db2.gz LJHBHYUSYBRGRI-UHFFFAOYSA-N -1 1 320.339 3.896 20 0 DHADMM O=c1ccn(-c2ccc(Nc3cccc(-n4cccn4)c3)cc2)[n-]1 ZINC001174300830 1034257825 /nfs/dbraw/zinc/25/78/25/1034257825.db2.gz FKBKRKCUTSOGIA-UHFFFAOYSA-N -1 1 317.352 3.507 20 0 DHADMM Cc1c(Nc2cc(Br)cc(Cl)c2[O-])cnn1C ZINC001174393599 1034316161 /nfs/dbraw/zinc/31/61/61/1034316161.db2.gz KRLOEVKFDOFOFJ-UHFFFAOYSA-N -1 1 316.586 3.594 20 0 DHADMM Cc1nc(C(C)C)ccc1CSc1nc(C)c(C)c(=O)[n-]1 ZINC000555039042 1034467061 /nfs/dbraw/zinc/46/70/61/1034467061.db2.gz UAWIWTUFVOCUCK-UHFFFAOYSA-N -1 1 303.431 3.918 20 0 DHADMM CCNC(=O)Nc1ccc(Nc2cc([O-])c(F)c(F)c2)cc1 ZINC001174520851 1034478662 /nfs/dbraw/zinc/47/86/62/1034478662.db2.gz QREHZNJHWARPRY-UHFFFAOYSA-N -1 1 307.300 3.555 20 0 DHADMM CC(C)CC1(C)CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000555101259 1034504940 /nfs/dbraw/zinc/50/49/40/1034504940.db2.gz WOQCZISUTHAZNU-UHFFFAOYSA-N -1 1 311.372 3.959 20 0 DHADMM CCc1[n-]n(-c2ccc(Cl)c(Br)c2)c(=O)c1F ZINC000899363387 1034600434 /nfs/dbraw/zinc/60/04/34/1034600434.db2.gz LVFGRFKEXPCFDP-SNVBAGLBSA-N -1 1 319.561 3.553 20 0 DHADMM COCC(C)(C)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000865364400 1034608798 /nfs/dbraw/zinc/60/87/98/1034608798.db2.gz MNYRFUJASABPNV-UHFFFAOYSA-N -1 1 318.442 3.922 20 0 DHADMM Cc1ccc(CSc2nc(C(F)F)cc(=O)[n-]2)nc1Cl ZINC000865369006 1034611423 /nfs/dbraw/zinc/61/14/23/1034611423.db2.gz ZABAZJNEODFMGW-UHFFFAOYSA-N -1 1 317.748 3.769 20 0 DHADMM CCOc1cc(C(=O)N(C)C(C2CC2)C2CC2)cc(Cl)c1[O-] ZINC000186718782 1034655961 /nfs/dbraw/zinc/65/59/61/1034655961.db2.gz WPOJGOZCAFLELW-UHFFFAOYSA-N -1 1 323.820 3.705 20 0 DHADMM O=c1ccn(-c2ccc(Nc3cccc4ncccc43)cc2)[n-]1 ZINC001174910724 1034675900 /nfs/dbraw/zinc/67/59/00/1034675900.db2.gz DYOBORDKAFBHGW-UHFFFAOYSA-N -1 1 302.337 3.870 20 0 DHADMM Cc1nc([C@H]2CCCN2C(=O)c2ccc(Cl)cc2[O-])cs1 ZINC000187114902 1034690678 /nfs/dbraw/zinc/69/06/78/1034690678.db2.gz FQKGCQJOXCATCS-CYBMUJFWSA-N -1 1 322.817 3.788 20 0 DHADMM CC(C)(C)[C@@H]1CCCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000555555484 1034802848 /nfs/dbraw/zinc/80/28/48/1034802848.db2.gz JBKASGCDANHNKQ-LLVKDONJSA-N -1 1 311.372 3.959 20 0 DHADMM Cc1cncc(CCC(=O)Nc2cccc(C(F)(F)F)c2[O-])c1 ZINC001176071882 1035191122 /nfs/dbraw/zinc/19/11/22/1035191122.db2.gz SEMPMXSKWZSWBD-UHFFFAOYSA-N -1 1 324.302 3.686 20 0 DHADMM [O-]c1c(Nc2cccc3c2OCC3)ccc(F)c1Br ZINC001176078140 1035192930 /nfs/dbraw/zinc/19/29/30/1035192930.db2.gz DMJRPNFNTRZSHG-UHFFFAOYSA-N -1 1 324.149 3.972 20 0 DHADMM CC(C)Oc1ccc(COC(=O)c2ccc([O-])cc2F)cc1 ZINC000773574209 1035252649 /nfs/dbraw/zinc/25/26/49/1035252649.db2.gz BSOJUIUZKZUKCI-UHFFFAOYSA-N -1 1 304.317 3.676 20 0 DHADMM COC(=O)c1csc(C)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176663642 1035309332 /nfs/dbraw/zinc/30/93/32/1035309332.db2.gz GQWKUYKVQDNALJ-UHFFFAOYSA-N -1 1 317.288 3.710 20 0 DHADMM CC(=O)Nc1cc(Nc2c(F)cc(F)c([O-])c2F)ccc1C ZINC001176671622 1035309999 /nfs/dbraw/zinc/30/99/99/1035309999.db2.gz KGPNKXGOEMIAIQ-UHFFFAOYSA-N -1 1 310.275 3.820 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ccc(Cn3ccnc3)cc2)c1F ZINC001176672436 1035310143 /nfs/dbraw/zinc/31/01/43/1035310143.db2.gz VSSITIQGUXPQMZ-UHFFFAOYSA-N -1 1 319.286 3.798 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ccc(OCC3CC3)nc2)c1F ZINC001176670518 1035310373 /nfs/dbraw/zinc/31/03/73/1035310373.db2.gz XKRXCDUAQPQYQJ-UHFFFAOYSA-N -1 1 310.275 3.737 20 0 DHADMM Cc1nc2c(Nc3c(F)cc(F)c([O-])c3F)cccn2c1C ZINC001176670099 1035310968 /nfs/dbraw/zinc/31/09/68/1035310968.db2.gz RCMXDRNYBYCYAJ-UHFFFAOYSA-N -1 1 307.275 3.818 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ccc(Br)cn2)c1F ZINC001176662186 1035317257 /nfs/dbraw/zinc/31/72/57/1035317257.db2.gz IYGOZTJHBVNUCA-UHFFFAOYSA-N -1 1 319.080 3.711 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cccnc2OC(F)F)c1F ZINC001176663347 1035317883 /nfs/dbraw/zinc/31/78/83/1035317883.db2.gz GAHBPMUPXHUNKL-UHFFFAOYSA-N -1 1 306.190 3.550 20 0 DHADMM Cc1cnc(Cl)c(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000904002882 1035338119 /nfs/dbraw/zinc/33/81/19/1035338119.db2.gz GEZMVJOZXWXSIJ-SWLSCSKDSA-N -1 1 318.804 3.595 20 0 DHADMM C/C(=C\c1ccccc1)CN[C@@H](C)c1nc(C(=O)[O-])cs1 ZINC000904023911 1035342648 /nfs/dbraw/zinc/34/26/48/1035342648.db2.gz LNLHRKNOYYENLW-OBIHZWKSSA-N -1 1 302.399 3.595 20 0 DHADMM CC(C)=CC[C@H](NCc1ccc(-c2ccc(F)cc2)o1)C(=O)[O-] ZINC000904032691 1035347486 /nfs/dbraw/zinc/34/74/86/1035347486.db2.gz OQHRYBSLNCBZJB-INIZCTEOSA-N -1 1 317.360 3.985 20 0 DHADMM O=C(CCSCc1ccccc1)[N-]Oc1ccccc1F ZINC001177114230 1035351049 /nfs/dbraw/zinc/35/10/49/1035351049.db2.gz PXLNBQKEYRZOGX-UHFFFAOYSA-N -1 1 305.374 3.559 20 0 DHADMM CC(C)c1ncc(CN[C@@H](CC(=O)[O-])c2ccccc2F)s1 ZINC000904045996 1035352374 /nfs/dbraw/zinc/35/23/74/1035352374.db2.gz UEBQQBVNGXYRAK-AWEZNQCLSA-N -1 1 322.405 3.711 20 0 DHADMM CC[C@H](NCc1c(C)cc(Cl)cc1C)c1nc(C(=O)[O-])c[nH]1 ZINC000904065199 1035356717 /nfs/dbraw/zinc/35/67/17/1035356717.db2.gz PSKSVMDTCCUZSJ-ZDUSSCGKSA-N -1 1 321.808 3.619 20 0 DHADMM CCCc1ccccc1[N-]S(=O)(=O)c1ccccc1COC ZINC000484516104 1035358127 /nfs/dbraw/zinc/35/81/27/1035358127.db2.gz QCPIPCDXSMSFTJ-UHFFFAOYSA-N -1 1 319.426 3.586 20 0 DHADMM C[C@@]1(CNC(=O)c2ccc(Cl)cc2[O-])CCOC2(CCC2)C1 ZINC001178157928 1035411613 /nfs/dbraw/zinc/41/16/13/1035411613.db2.gz MXPPPNHJTJKFLC-MRXNPFEDSA-N -1 1 323.820 3.515 20 0 DHADMM [O-]c1ccc(Cc2nc(-c3cccc(F)c3)no2)cc1Cl ZINC000904534772 1035424185 /nfs/dbraw/zinc/42/41/85/1035424185.db2.gz WGMLKABHIIWGHA-UHFFFAOYSA-N -1 1 304.708 3.826 20 0 DHADMM CN(C)c1cc(NC(=O)c2ccc([O-])cc2F)ccc1Cl ZINC001178460610 1035430519 /nfs/dbraw/zinc/43/05/19/1035430519.db2.gz NISCGMSEUURRLX-UHFFFAOYSA-N -1 1 308.740 3.503 20 0 DHADMM CC[C@H]1CCCC[C@@H]1C(=O)NCCc1c(F)cc([O-])cc1F ZINC001178784644 1035447300 /nfs/dbraw/zinc/44/73/00/1035447300.db2.gz ABJIQEPBIYBZFG-AAEUAGOBSA-N -1 1 311.372 3.546 20 0 DHADMM CC[C@@H]1CCCC[C@@H]1C(=O)NCCc1c(F)cc([O-])cc1F ZINC001178784647 1035447391 /nfs/dbraw/zinc/44/73/91/1035447391.db2.gz ABJIQEPBIYBZFG-YPMHNXCESA-N -1 1 311.372 3.546 20 0 DHADMM CCCCOc1ccccc1C=Cc1ncc(OC)c(=O)[n-]1 ZINC000905077421 1035477927 /nfs/dbraw/zinc/47/79/27/1035477927.db2.gz WFRBKFVHZLYTIP-MDZDMXLPSA-N -1 1 300.358 3.540 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1ccc(F)cc1F ZINC001179656332 1035487421 /nfs/dbraw/zinc/48/74/21/1035487421.db2.gz RPBIDLXMPJWEDS-UHFFFAOYSA-N -1 1 301.651 3.715 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1cccc2ncccc21 ZINC001179655158 1035487434 /nfs/dbraw/zinc/48/74/34/1035487434.db2.gz FASMAPXJXBLMNN-UHFFFAOYSA-N -1 1 316.719 3.985 20 0 DHADMM O=C(N[C@@H]1CCCc2ccccc2C1)c1ccc(Cl)cc1[O-] ZINC001179688265 1035488973 /nfs/dbraw/zinc/48/89/73/1035488973.db2.gz PCUWXDVNXPYTDZ-OAHLLOKOSA-N -1 1 315.800 3.723 20 0 DHADMM C[C@@H](NC(=O)Nc1cc(F)c(F)cc1[O-])c1ccc(F)cc1 ZINC001193143350 1035578431 /nfs/dbraw/zinc/57/84/31/1035578431.db2.gz CTAKKJDYAPQZJD-MRVPVSSYSA-N -1 1 310.275 3.692 20 0 DHADMM COc1ccc([C@@H](NCc2cc(C(=O)[O-])co2)C2CCC2)cc1 ZINC000905752051 1035626849 /nfs/dbraw/zinc/62/68/49/1035626849.db2.gz QLBMJHKVNNCXHX-KRWDZBQOSA-N -1 1 315.369 3.617 20 0 DHADMM CCc1oc(CN[C@H](C)c2ccc(F)cc2C)cc1C(=O)[O-] ZINC000905729036 1035629286 /nfs/dbraw/zinc/62/92/86/1035629286.db2.gz UENDTTXNUVTPOZ-LLVKDONJSA-N -1 1 305.349 3.839 20 0 DHADMM CC(C)c1ccc2c(c1)[C@H](NCc1ccc(C(=O)[O-])cn1)CC2 ZINC000905728778 1035629336 /nfs/dbraw/zinc/62/93/36/1035629336.db2.gz SBZPOKIFRKFDAR-GOSISDBHSA-N -1 1 310.397 3.680 20 0 DHADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1ncccc1Cl ZINC000191000871 1035651467 /nfs/dbraw/zinc/65/14/67/1035651467.db2.gz QWBSYCHEFHUFAZ-UHFFFAOYSA-N -1 1 310.806 3.659 20 0 DHADMM O=C(NCCc1ccc(Cl)s1)c1ccc(Cl)cc1[O-] ZINC000224673126 1035722664 /nfs/dbraw/zinc/72/26/64/1035722664.db2.gz CRCZFDGXIDAWGH-UHFFFAOYSA-N -1 1 316.209 3.733 20 0 DHADMM Cc1cc2ccccc2cc1[N-]S(=O)(=O)c1ccccc1N ZINC001193934572 1035764665 /nfs/dbraw/zinc/76/46/65/1035764665.db2.gz HUVFIYHYHLWDOC-UHFFFAOYSA-N -1 1 312.394 3.531 20 0 DHADMM C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc([O-])c(F)c1F ZINC001180802869 1035768537 /nfs/dbraw/zinc/76/85/37/1035768537.db2.gz XTKOQGLABJDMGJ-WPRPVWTQSA-N -1 1 309.278 3.833 20 0 DHADMM COc1ccc(F)cc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000192245969 1035783967 /nfs/dbraw/zinc/78/39/67/1035783967.db2.gz CQTUDWXCUCYCLQ-UHFFFAOYSA-N -1 1 310.712 3.837 20 0 DHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1cccc(OC(C)C)c1 ZINC001194633736 1035973245 /nfs/dbraw/zinc/97/32/45/1035973245.db2.gz FGHQVBWWXMXUKT-UHFFFAOYSA-N -1 1 319.426 3.891 20 0 DHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1cccc2c1ccn2C ZINC001194643781 1035976153 /nfs/dbraw/zinc/97/61/53/1035976153.db2.gz NKJVVYCVWLOGGJ-UHFFFAOYSA-N -1 1 314.410 3.596 20 0 DHADMM CCOC(=O)c1ncsc1Nc1cc(Cl)c([O-])cc1F ZINC001250020631 1035977258 /nfs/dbraw/zinc/97/72/58/1035977258.db2.gz XZDSOYXQVVWTSL-UHFFFAOYSA-N -1 1 316.741 3.562 20 0 DHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1cc(F)c(F)cc1C ZINC001194639894 1035977324 /nfs/dbraw/zinc/97/73/24/1035977324.db2.gz WAHVJVYOZYMWPJ-UHFFFAOYSA-N -1 1 311.353 3.691 20 0 DHADMM CCC(CC)COC(=O)Nc1c(C)c(=O)[n-]n1-c1ccccc1 ZINC001194730015 1035995948 /nfs/dbraw/zinc/99/59/48/1035995948.db2.gz STSVIGHCZZBZBR-UHFFFAOYSA-N -1 1 317.389 3.871 20 0 DHADMM CC[C@H](C)COC(=O)Nc1cccc([O-])c1Br ZINC001194811657 1036041016 /nfs/dbraw/zinc/04/10/16/1036041016.db2.gz NSSKRIDAWFDVER-QMMMGPOBSA-N -1 1 302.168 3.749 20 0 DHADMM O=C(Nc1c([O-])cc(C(F)(F)F)cc1Cl)OCCF ZINC001194971698 1036092794 /nfs/dbraw/zinc/09/27/94/1036092794.db2.gz SMAQVFWHRWPTKU-UHFFFAOYSA-N -1 1 301.623 3.582 20 0 DHADMM CC(C)(C)c1cccc(NC(=O)c2cc([O-])cnc2Cl)c1 ZINC001195308402 1036214830 /nfs/dbraw/zinc/21/48/30/1036214830.db2.gz DBWVPCGTCSGHHM-UHFFFAOYSA-N -1 1 304.777 3.990 20 0 DHADMM O=C(Nc1ccc2c3c(cccc31)CC2)c1cc([O-])cnc1Cl ZINC001195305491 1036217035 /nfs/dbraw/zinc/21/70/35/1036217035.db2.gz FQDZDDWHQRFVSX-UHFFFAOYSA-N -1 1 324.767 3.945 20 0 DHADMM Cc1oc2ccc(NC(=O)c3cnc(C4CC4)[n-]c3=O)cc2c1C ZINC000907463330 1036220062 /nfs/dbraw/zinc/22/00/62/1036220062.db2.gz VXMHEELTQBUIJX-UHFFFAOYSA-N -1 1 323.352 3.675 20 0 DHADMM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1c(O)cccc1F ZINC000229013786 1036222072 /nfs/dbraw/zinc/22/20/72/1036222072.db2.gz MDYQAQKKOFUCJW-UHFFFAOYSA-N -1 1 316.115 3.796 20 0 DHADMM FC(F)(F)[C@@H]([N-]c1nc(Cl)cc(Cl)n1)c1ccccn1 ZINC001168477884 1036268542 /nfs/dbraw/zinc/26/85/42/1036268542.db2.gz JUXZWZSGUDPKTI-VIFPVBQESA-N -1 1 323.105 3.894 20 0 DHADMM Cc1ccc2c(cccc2[N-]S(=O)(=O)c2ccc(O)cc2)c1 ZINC001195810905 1036355623 /nfs/dbraw/zinc/35/56/23/1036355623.db2.gz OQPGXGPQXRCNSJ-UHFFFAOYSA-N -1 1 313.378 3.655 20 0 DHADMM CC[C@H](C)C[C@H](C)NC(=O)c1ccc(Br)c([O-])c1 ZINC000231348861 1036431600 /nfs/dbraw/zinc/43/16/00/1036431600.db2.gz IEKDROCTJYDYPH-UWVGGRQHSA-N -1 1 314.223 3.709 20 0 DHADMM CC[C@H]1CCC[C@@H]1C(=O)Nc1cccc([O-])c1Br ZINC000908707467 1036486255 /nfs/dbraw/zinc/48/62/55/1036486255.db2.gz IGNLPPNJRLAUQX-UWVGGRQHSA-N -1 1 312.207 3.920 20 0 DHADMM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1cccc([O-])c1Br ZINC000908711200 1036489900 /nfs/dbraw/zinc/48/99/00/1036489900.db2.gz ZWDKQKJTYVEVGB-OTYXRUKQSA-N -1 1 312.207 3.775 20 0 DHADMM O=C(Nc1cc(-c2ccccc2F)on1)c1cc(F)ccc1[O-] ZINC001183295647 1036565916 /nfs/dbraw/zinc/56/59/16/1036565916.db2.gz VJXCAFPWIDWQAP-UHFFFAOYSA-N -1 1 316.263 3.578 20 0 DHADMM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2cc([O-])c(F)cc2F)o1 ZINC000909976374 1036727336 /nfs/dbraw/zinc/72/73/36/1036727336.db2.gz YWTKFSJKKQDIMF-KOLCDFICSA-N -1 1 321.323 3.958 20 0 DHADMM O=C(C[C@@H]1CCc2ccccc2C1)Nc1cc([O-])c(F)cc1F ZINC000909980956 1036735681 /nfs/dbraw/zinc/73/56/81/1036735681.db2.gz JREOTFMYAFOLKN-LLVKDONJSA-N -1 1 317.335 3.804 20 0 DHADMM CCOCc1ccc([N-]S(=O)(=O)c2ccccc2CC)cc1 ZINC000488258414 1036924098 /nfs/dbraw/zinc/92/40/98/1036924098.db2.gz TUCYLKFQMASWJP-UHFFFAOYSA-N -1 1 319.426 3.586 20 0 DHADMM Cc1cc(Cl)cc([N-]S(=O)(=O)CCC(C)(C)C)c1O ZINC000235793967 1036925524 /nfs/dbraw/zinc/92/55/24/1036925524.db2.gz VZDNCIUJRGZDNF-UHFFFAOYSA-N -1 1 305.827 3.532 20 0 DHADMM Cc1nc2cc([N-]S(=O)(=O)c3ccccc3C)ccc2s1 ZINC000781117310 1037047742 /nfs/dbraw/zinc/04/77/42/1037047742.db2.gz PJGRCTIYRZITRE-UHFFFAOYSA-N -1 1 318.423 3.714 20 0 DHADMM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198826884 1037132278 /nfs/dbraw/zinc/13/22/78/1037132278.db2.gz RBPCNEDFDSPHIV-UHFFFAOYSA-N -1 1 322.773 3.590 20 0 DHADMM O=S(=O)([N-]c1cccc2cnccc21)c1ccc2occc2c1 ZINC001198815989 1037137105 /nfs/dbraw/zinc/13/71/05/1037137105.db2.gz BTYBXFJIPUGBAL-UHFFFAOYSA-N -1 1 324.361 3.782 20 0 DHADMM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1c([O-])cccc1Cl ZINC000775942947 1037216421 /nfs/dbraw/zinc/21/64/21/1037216421.db2.gz OAZQXHLDMPXAJE-IUCAKERBSA-N -1 1 321.726 3.849 20 0 DHADMM O=C1[N-]C(=O)C(=Cc2csc(-c3ccc(Cl)cc3)n2)S1 ZINC000915840025 1037262568 /nfs/dbraw/zinc/26/25/68/1037262568.db2.gz MADZPATZGNDLGE-YHYXMXQVSA-N -1 1 322.798 3.787 20 0 DHADMM O=C(Nc1cc(-c2ccc(F)cc2)no1)c1ccc([O-])c(F)c1 ZINC001186208472 1037343802 /nfs/dbraw/zinc/34/38/02/1037343802.db2.gz FAJROAKABZNSMU-UHFFFAOYSA-N -1 1 316.263 3.578 20 0 DHADMM O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1ccc([O-])cc1F ZINC001186339564 1037376566 /nfs/dbraw/zinc/37/65/66/1037376566.db2.gz KTEIHXPTTNAGFC-ZDUSSCGKSA-N -1 1 313.250 3.565 20 0 DHADMM O=C(NCc1cc2cc(Cl)ccc2[nH]1)c1ccc([O-])cc1F ZINC001186337176 1037378763 /nfs/dbraw/zinc/37/87/63/1037378763.db2.gz CMAUGTUBVXZLFG-UHFFFAOYSA-N -1 1 318.735 3.596 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)NC12CC3CC(CC(C3)C1)C2 ZINC001186684367 1037467737 /nfs/dbraw/zinc/46/77/37/1037467737.db2.gz QLQIVEXQGGMKQN-UHFFFAOYSA-N -1 1 322.355 3.761 20 0 DHADMM CC(C)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)C1 ZINC001186696711 1037469956 /nfs/dbraw/zinc/46/99/56/1037469956.db2.gz JTNBRZFCSKTFDL-WDEREUQCSA-N -1 1 321.389 3.710 20 0 DHADMM CCC(CC)[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F ZINC001201244686 1037576916 /nfs/dbraw/zinc/57/69/16/1037576916.db2.gz VQMZBDDDLGAKEY-UHFFFAOYSA-N -1 1 314.209 3.599 20 0 DHADMM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001187383421 1037634046 /nfs/dbraw/zinc/63/40/46/1037634046.db2.gz DMLAEYFLOXQVMK-ZJUUUORDSA-N -1 1 307.818 3.582 20 0 DHADMM CCN(CC)c1ccc(NCc2cccc([O-])c2Cl)cn1 ZINC000328234783 1037726763 /nfs/dbraw/zinc/72/67/63/1037726763.db2.gz PJXPDWCBVOGGKQ-UHFFFAOYSA-N -1 1 305.809 3.899 20 0 DHADMM CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000185340175 1037798782 /nfs/dbraw/zinc/79/87/82/1037798782.db2.gz CVEIXBXVDMGOFG-UHFFFAOYSA-N -1 1 311.403 3.657 20 0 DHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(C3CC3)cc2)c1 ZINC001201680763 1037832262 /nfs/dbraw/zinc/83/22/62/1037832262.db2.gz AVADEPAEYWIYHF-UHFFFAOYSA-N -1 1 317.410 3.807 20 0 DHADMM O=C(Nc1ccc(F)c(C2CC2)c1)c1ncc(C(F)(F)F)[n-]1 ZINC001188288925 1037856076 /nfs/dbraw/zinc/85/60/76/1037856076.db2.gz PCURBGDTJNNAFJ-UHFFFAOYSA-N -1 1 313.254 3.697 20 0 DHADMM O=C(Nc1ccc(F)c(C2CC2)c1)c1nc(C(F)(F)F)c[n-]1 ZINC001188288925 1037856092 /nfs/dbraw/zinc/85/60/92/1037856092.db2.gz PCURBGDTJNNAFJ-UHFFFAOYSA-N -1 1 313.254 3.697 20 0 DHADMM O=C(NC1(c2cccc(Cl)c2)CCC1)c1ccc([O-])c(F)c1 ZINC001299839430 1038015993 /nfs/dbraw/zinc/01/59/93/1038015993.db2.gz VDSPXHYCJUYIQR-UHFFFAOYSA-N -1 1 319.763 3.994 20 0 DHADMM O=C(CNC(=O)Nc1cccc2ccccc21)c1ccc([O-])cc1 ZINC001188961902 1038026476 /nfs/dbraw/zinc/02/64/76/1038026476.db2.gz VVPFVHZBAGESII-UHFFFAOYSA-N -1 1 320.348 3.550 20 0 DHADMM Cc1cc(C(=O)CSc2nc(C)c(C)c(=O)[n-]2)cc(C)c1F ZINC001189060938 1038060764 /nfs/dbraw/zinc/06/07/64/1038060764.db2.gz JCJHZRLSDHANBV-UHFFFAOYSA-N -1 1 320.389 3.530 20 0 DHADMM Cc1ccccc1NC(=O)Nc1nc(Br)ccc1[O-] ZINC001202175759 1038084341 /nfs/dbraw/zinc/08/43/41/1038084341.db2.gz QBAZEZYIYKCMPL-UHFFFAOYSA-N -1 1 322.162 3.502 20 0 DHADMM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)CC1 ZINC001189320763 1038127724 /nfs/dbraw/zinc/12/77/24/1038127724.db2.gz JBDNFMOAUOEGFC-ZYHUDNBSSA-N -1 1 319.829 3.726 20 0 DHADMM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1ncccc1[O-] ZINC000127696400 1038210858 /nfs/dbraw/zinc/21/08/58/1038210858.db2.gz LPEGDLBNZHHNJZ-INIZCTEOSA-N -1 1 312.413 3.579 20 0 DHADMM C[C@H]1CCC[C@H](C)C1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001190126541 1038270127 /nfs/dbraw/zinc/27/01/27/1038270127.db2.gz DJBUUUVKWUIJOO-UWVGGRQHSA-N -1 1 319.829 3.582 20 0 DHADMM Cc1c(F)cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1F ZINC001190500131 1038326151 /nfs/dbraw/zinc/32/61/51/1038326151.db2.gz NOEAMIMYMFIPEF-UHFFFAOYSA-N -1 1 323.364 3.951 20 0 DHADMM Cc1cc2cc([N-]S(=O)(=O)c3ccccc3C)ccc2[nH]1 ZINC000589430698 1038485204 /nfs/dbraw/zinc/48/52/04/1038485204.db2.gz VBEIHHTXUOQSEJ-UHFFFAOYSA-N -1 1 300.383 3.586 20 0 DHADMM Cc1[n-][nH]c(=O)c1NC(=O)CC(C)(C)Cc1ccc(Cl)cc1 ZINC000615221151 1038542451 /nfs/dbraw/zinc/54/24/51/1038542451.db2.gz JFYYKEAWKYEEKP-UHFFFAOYSA-N -1 1 321.808 3.675 20 0 DHADMM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C)cc1F ZINC001191779554 1038545681 /nfs/dbraw/zinc/54/56/81/1038545681.db2.gz FRFDTEOCJYVBRO-UHFFFAOYSA-N -1 1 323.389 3.642 20 0 DHADMM Cc1cc(F)cc(C)c1[N-]S(=O)(=O)C(Cl)(Cl)Cl ZINC001192040731 1038581119 /nfs/dbraw/zinc/58/11/19/1038581119.db2.gz LJAPDCFMJCWWAX-UHFFFAOYSA-N -1 1 320.600 3.512 20 0 DHADMM CC[C@@H](CC(F)(F)F)[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000760776429 1038636113 /nfs/dbraw/zinc/63/61/13/1038636113.db2.gz LSSIEEMOHNFEBG-JTQLQIEISA-N -1 1 313.241 3.765 20 0 DHADMM Cc1cc(F)cc([N-]S(=O)(=O)c2cccc(C(F)F)c2)c1 ZINC000780397881 1038636210 /nfs/dbraw/zinc/63/62/10/1038636210.db2.gz HLFZVXXWRFJARR-UHFFFAOYSA-N -1 1 315.316 3.873 20 0 DHADMM O=C(Nc1ccc(-n2cccc2)cc1)c1c(F)ccc([O-])c1F ZINC001192519960 1038669408 /nfs/dbraw/zinc/66/94/08/1038669408.db2.gz CMYNWMJJZJEVBC-UHFFFAOYSA-N -1 1 314.291 3.713 20 0 DHADMM Cc1cc(NC(=O)c2c(F)ccc([O-])c2F)c2ccsc2n1 ZINC001192527428 1038676413 /nfs/dbraw/zinc/67/64/13/1038676413.db2.gz XKVBAVQYUMKGOC-UHFFFAOYSA-N -1 1 320.320 3.841 20 0 DHADMM CC1(CNC(=O)c2cc([O-])cc(F)c2F)CCC(F)(F)CC1 ZINC001192683232 1038691465 /nfs/dbraw/zinc/69/14/65/1038691465.db2.gz BSKAMWHYXBQPNG-UHFFFAOYSA-N -1 1 319.298 3.616 20 0 DHADMM O=C(c1cc([O-])cc(F)c1F)N1CCC[C@H]1C1CCCCC1 ZINC001192664961 1038693254 /nfs/dbraw/zinc/69/32/54/1038693254.db2.gz QSVHMNQHZRAOCL-HNNXBMFYSA-N -1 1 309.356 3.855 20 0 DHADMM CN(CC1CCCC1)Cn1c(Cc2cccs2)n[nH]c1=S ZINC000058207359 1039021368 /nfs/dbraw/zinc/02/13/68/1039021368.db2.gz GPHQUZZJJFVXAW-UHFFFAOYSA-N -1 1 322.503 3.672 20 0 DHADMM CC(C)(C)Cc1nnc(NCc2c([O-])ccc(Cl)c2F)o1 ZINC000191534188 1039502427 /nfs/dbraw/zinc/50/24/27/1039502427.db2.gz ROYABEBTUAHTTB-UHFFFAOYSA-N -1 1 313.760 3.768 20 0 DHADMM O=C(COc1ccc2ccccc2c1)Nc1c([O-])cccc1F ZINC000605436729 1039681964 /nfs/dbraw/zinc/68/19/64/1039681964.db2.gz LZZDNQKHPLGXJJ-UHFFFAOYSA-N -1 1 311.312 3.702 20 0 DHADMM Cc1ccccc1OCCCC(=O)Nc1c([O-])cccc1F ZINC000605440708 1039683815 /nfs/dbraw/zinc/68/38/15/1039683815.db2.gz YWYVKONCGDPHOS-UHFFFAOYSA-N -1 1 303.333 3.637 20 0 DHADMM O=C(Nc1c([O-])cccc1F)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000605440466 1039684180 /nfs/dbraw/zinc/68/41/80/1039684180.db2.gz SIKLSXGCCQZZME-MNOVXSKESA-N -1 1 305.736 3.927 20 0 DHADMM Cc1ccsc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000607611386 1040204783 /nfs/dbraw/zinc/20/47/83/1040204783.db2.gz ZFTRIPKTUBCCBV-UHFFFAOYSA-N -1 1 305.783 3.650 20 0 DHADMM Cc1cccc2c(CCC(=O)Nc3c([O-])cccc3F)c[nH]c21 ZINC000608365787 1040471655 /nfs/dbraw/zinc/47/16/55/1040471655.db2.gz BJJQZAMCEFJUEL-UHFFFAOYSA-N -1 1 312.344 3.892 20 0 DHADMM O=C(Cc1csc2ccccc12)Nc1c([O-])cccc1F ZINC000608365370 1040475165 /nfs/dbraw/zinc/47/51/65/1040475165.db2.gz DULRLADEQZRUFJ-UHFFFAOYSA-N -1 1 301.342 3.927 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCSC[C@@H]1C1CC1 ZINC000456177981 1040735719 /nfs/dbraw/zinc/73/57/19/1040735719.db2.gz KJKYOBCMTIKEMM-MRXNPFEDSA-N -1 1 313.422 3.513 20 0 DHADMM COCCN(C(=O)c1ccc(C(C)C)cc1[O-])c1ccccc1 ZINC000456398515 1040802288 /nfs/dbraw/zinc/80/22/88/1040802288.db2.gz ZPWGWMKHLOKFAM-UHFFFAOYSA-N -1 1 313.397 3.809 20 0 DHADMM CCC[C@H](C(=O)Nc1ccc([O-])c(F)c1F)c1ccccn1 ZINC000456775770 1040912935 /nfs/dbraw/zinc/91/29/35/1040912935.db2.gz DLSMPEAPLYUQLQ-JTQLQIEISA-N -1 1 306.312 3.588 20 0 DHADMM C[C@@H](OC1CCCCCC1)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456778585 1040916393 /nfs/dbraw/zinc/91/63/93/1040916393.db2.gz HEPZPEGJJQJEAA-SNVBAGLBSA-N -1 1 313.344 3.737 20 0 DHADMM O=C1[N-]C(=S)SC1=Cc1sccc1Br ZINC000073297418 191302737 /nfs/dbraw/zinc/30/27/37/191302737.db2.gz DVMDNPAHZMYXQA-UTCJRWHESA-N -1 1 306.231 3.840 20 0 DHADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc2c(c1)CCCC2 ZINC000005126760 181206321 /nfs/dbraw/zinc/20/63/21/181206321.db2.gz VENQILYLIFZSRB-UHFFFAOYSA-N -1 1 323.364 3.644 20 0 DHADMM Cc1csc(CN[C@H](CC(=O)[O-])c2ccc(C(C)C)cc2)n1 ZINC000417567786 334991495 /nfs/dbraw/zinc/99/14/95/334991495.db2.gz JOUJIRMVVSBCJV-OAHLLOKOSA-N -1 1 318.442 3.881 20 0 DHADMM CC(C)c1cnc(CN[C@@H](CCC(=O)[O-])c2ccccc2)s1 ZINC000417593118 335000247 /nfs/dbraw/zinc/00/02/47/335000247.db2.gz FPVDNPPMLPSEFJ-AWEZNQCLSA-N -1 1 318.442 3.962 20 0 DHADMM Cc1cc(C)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)c(C)c1 ZINC000016101160 182034354 /nfs/dbraw/zinc/03/43/54/182034354.db2.gz VFDGOBWYQKYQHE-UHFFFAOYSA-N -1 1 311.353 3.691 20 0 DHADMM COc1ccc(CCNC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000017154639 182077555 /nfs/dbraw/zinc/07/75/55/182077555.db2.gz VJWXLRADQQTOHE-UHFFFAOYSA-N -1 1 321.376 3.527 20 0 DHADMM O=C(Nc1ccc(Br)cc1F)c1ccccc1[O-] ZINC000019435050 182123228 /nfs/dbraw/zinc/12/32/28/182123228.db2.gz WJAQTHKTWKHPPK-UHFFFAOYSA-N -1 1 310.122 3.546 20 0 DHADMM Cc1cc(CNCc2cnc(CC(C)C)s2)ccc1C(=O)[O-] ZINC000417665796 335034852 /nfs/dbraw/zinc/03/48/52/335034852.db2.gz DJXUPFKTTCSGCA-UHFFFAOYSA-N -1 1 318.442 3.638 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H]1[C@H]1CCCC1=O ZINC000272179766 130005341 /nfs/dbraw/zinc/00/53/41/130005341.db2.gz LHGXKEHEGRQFNH-NVXWUHKLSA-N -1 1 323.392 3.519 20 0 DHADMM CCOc1cc(C(=O)N2C[C@@H](C)CC2(C)C)cc(Cl)c1[O-] ZINC000273802326 130169719 /nfs/dbraw/zinc/16/97/19/130169719.db2.gz BAILJSADRINTCV-JTQLQIEISA-N -1 1 311.809 3.705 20 0 DHADMM C[C@H]1C(=O)CC[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1(C)C ZINC000276015707 130427026 /nfs/dbraw/zinc/42/70/26/130427026.db2.gz UKTPPQCRZBTKQW-ONGXEEELSA-N -1 1 309.793 3.626 20 0 DHADMM C[C@H]1C(=O)CC[C@H](c2nc(-c3ccc([O-])c(F)c3)no2)C1(C)C ZINC000288941524 131346680 /nfs/dbraw/zinc/34/66/80/131346680.db2.gz BBQRWXATVIKASP-GXSJLCMTSA-N -1 1 318.348 3.690 20 0 DHADMM CCOc1cc(-c2noc([C@@H](OC)C3CC3)n2)cc(Cl)c1[O-] ZINC000289024480 131352620 /nfs/dbraw/zinc/35/26/20/131352620.db2.gz FRZSMFSOCODJRE-ZDUSSCGKSA-N -1 1 324.764 3.592 20 0 DHADMM CO[C@H]1CCC[C@@H](Cc2nc(-c3ccc([O-])cc3Cl)no2)C1 ZINC000289116588 131358953 /nfs/dbraw/zinc/35/89/53/131358953.db2.gz PYQMVOKMWULACH-PWSUYJOCSA-N -1 1 322.792 3.843 20 0 DHADMM CCCN(CCc1ccccn1)C(=O)c1ccc(Cl)cc1[O-] ZINC000299419951 132104705 /nfs/dbraw/zinc/10/47/05/132104705.db2.gz FKULNXLBVGNGBN-UHFFFAOYSA-N -1 1 318.804 3.536 20 0 DHADMM CCOc1cc(C(=O)NCC2(C)CCCC2)cc(Cl)c1[O-] ZINC000186794780 331481355 /nfs/dbraw/zinc/48/13/55/331481355.db2.gz NUIPXQAIVUDIAF-UHFFFAOYSA-N -1 1 311.809 3.754 20 0 DHADMM O=C(Nc1ccc(Cl)cc1[O-])c1cc(-c2ccccc2)no1 ZINC000533618708 331608065 /nfs/dbraw/zinc/60/80/65/331608065.db2.gz CSHGXQXMKHISFO-UHFFFAOYSA-N -1 1 314.728 3.953 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000556935274 331755952 /nfs/dbraw/zinc/75/59/52/331755952.db2.gz BKAUSFURFNCCSV-JGVFFNPUSA-N -1 1 307.699 3.963 20 0 DHADMM [O-]c1ccc(F)cc1-c1nc(-c2cnc3ccsc3c2)no1 ZINC000317402796 331768233 /nfs/dbraw/zinc/76/82/33/331768233.db2.gz LJYUIWHFDDWWAE-UHFFFAOYSA-N -1 1 313.313 3.858 20 0 DHADMM O=C(Nc1ccc2c(c1)COC2)c1cc2ccccc2cc1[O-] ZINC000092047765 332103957 /nfs/dbraw/zinc/10/39/57/332103957.db2.gz SPVRZTQNXXUGPO-UHFFFAOYSA-N -1 1 305.333 3.828 20 0 DHADMM C[C@H](NC(=O)c1ccc(Br)c([O-])c1)c1ccccc1 ZINC000132813000 332133713 /nfs/dbraw/zinc/13/37/13/332133713.db2.gz VKGOUXSFQWXDHH-JTQLQIEISA-N -1 1 320.186 3.646 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cc(-c4ccccc4)on3)n2)cc1F ZINC000445484308 332151375 /nfs/dbraw/zinc/15/13/75/332151375.db2.gz YXSGEMOQWFBQHS-UHFFFAOYSA-N -1 1 323.283 3.903 20 0 DHADMM CCC[C@@H](C)C[C@H](NCc1cc2cc(OC)ccc2o1)C(=O)[O-] ZINC000426821072 332157654 /nfs/dbraw/zinc/15/76/54/332157654.db2.gz PPHQOQLJDLOLSQ-WBMJQRKESA-N -1 1 319.401 3.811 20 0 DHADMM Cc1ccc([C@H]2CCCCCN2C(=O)c2ncc(C)cc2[O-])o1 ZINC000408224078 332332004 /nfs/dbraw/zinc/33/20/04/332332004.db2.gz NAKPNKWQLSZIJI-CQSZACIVSA-N -1 1 314.385 3.755 20 0 DHADMM CCc1ccc(C(=O)N2C[C@H]3CCCN3c3ccccc32)c([O-])c1 ZINC000526048545 332348874 /nfs/dbraw/zinc/34/88/74/332348874.db2.gz ORTJYLXFYDNDLB-OAHLLOKOSA-N -1 1 322.408 3.584 20 0 DHADMM C[C@H](c1ccco1)N(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000135526331 332621912 /nfs/dbraw/zinc/62/19/12/332621912.db2.gz GNIPUKNHZSQYOA-SECBINFHSA-N -1 1 324.174 3.581 20 0 DHADMM COc1cccc(CCC(=O)Nc2ccc([O-])c(Cl)c2)c1F ZINC000562855100 332632833 /nfs/dbraw/zinc/63/28/33/332632833.db2.gz FGOUSEQCABNHCH-UHFFFAOYSA-N -1 1 323.751 3.765 20 0 DHADMM O=S(=O)(Cc1ccc(C2CCC2)cc1)c1ccc([O-])cc1 ZINC000570009555 332702761 /nfs/dbraw/zinc/70/27/61/332702761.db2.gz BQIWWIPDYLFLAL-UHFFFAOYSA-N -1 1 302.395 3.634 20 0 DHADMM O=S(=O)([N-]c1cccc(F)c1Cl)c1ccc(F)cc1F ZINC000580120438 332949311 /nfs/dbraw/zinc/94/93/11/332949311.db2.gz YMRLHXMBRYILLB-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM C[C@@H]1c2cccn2CCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000179386401 333025377 /nfs/dbraw/zinc/02/53/77/333025377.db2.gz ZPMTZNVBIVPBEK-CYBMUJFWSA-N -1 1 306.365 3.564 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1C[C@@H]2CCCC[C@@H]2C1 ZINC000180695008 333028373 /nfs/dbraw/zinc/02/83/73/333028373.db2.gz MPFGYDJZRGJTBJ-PHIMTYICSA-N -1 1 313.319 3.673 20 0 DHADMM C[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@H]1C ZINC000180853803 333028750 /nfs/dbraw/zinc/02/87/50/333028750.db2.gz VATDHMIDZXKWBF-VHSXEESVSA-N -1 1 301.308 3.529 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@H]2CCC[C@@H]21 ZINC000180600099 333029236 /nfs/dbraw/zinc/02/92/36/333029236.db2.gz CJBAWDCWDJITNB-MFKMUULPSA-N -1 1 313.319 3.816 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CCC[C@H](c2ccccc2)CC1 ZINC000181207139 333029676 /nfs/dbraw/zinc/02/96/76/333029676.db2.gz VPMYVKYBWFFANB-HNNXBMFYSA-N -1 1 313.372 3.941 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)cc(C)c1F ZINC000460833516 333146598 /nfs/dbraw/zinc/14/65/98/333146598.db2.gz YKLJMTRDQMCVHB-UHFFFAOYSA-N -1 1 318.373 3.725 20 0 DHADMM CC[C@@H]1CC[C@H](C)N1C(=O)c1cc(Br)ccc1[O-] ZINC000221483074 333159068 /nfs/dbraw/zinc/15/90/68/333159068.db2.gz GYKKSFJPTLAFKL-GXSJLCMTSA-N -1 1 312.207 3.558 20 0 DHADMM O=c1cc(C2CC2)nc(SCc2nc3cc(F)ccc3o2)[n-]1 ZINC000188135952 333159962 /nfs/dbraw/zinc/15/99/62/333159962.db2.gz WGQZFRKFPTXPEM-UHFFFAOYSA-N -1 1 317.345 3.632 20 0 DHADMM CC(C)[C@@H](CC1CCCC1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000525748919 333219818 /nfs/dbraw/zinc/21/98/18/333219818.db2.gz JLMPCNIQQIKTBO-SNVBAGLBSA-N -1 1 318.343 3.615 20 0 DHADMM CS[C@@H]1CCC[C@H](NC(=O)c2ccc3ccccc3c2[O-])C1 ZINC000390266694 333255569 /nfs/dbraw/zinc/25/55/69/333255569.db2.gz XEEPWWGOLSQHAG-UONOGXRCSA-N -1 1 315.438 3.949 20 0 DHADMM C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000499719908 333301116 /nfs/dbraw/zinc/30/11/16/333301116.db2.gz PQCNOROHYRALMB-NKWVEPMBSA-N -1 1 314.259 3.522 20 0 DHADMM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000499719915 333301147 /nfs/dbraw/zinc/30/11/47/333301147.db2.gz PQCNOROHYRALMB-RQJHMYQMSA-N -1 1 314.259 3.522 20 0 DHADMM CCOc1ccccc1-c1noc(-c2ccc(OC)cc2[O-])n1 ZINC000391367682 333458644 /nfs/dbraw/zinc/45/86/44/333458644.db2.gz RIYRWDBEHKIYEQ-UHFFFAOYSA-N -1 1 312.325 3.517 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(F)cc1OC(F)F ZINC000533970584 333552427 /nfs/dbraw/zinc/55/24/27/333552427.db2.gz NVASKYIPWWJLCB-UHFFFAOYSA-N -1 1 315.222 3.524 20 0 DHADMM Cn1ccc(/C=C/c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000436872769 334013892 /nfs/dbraw/zinc/01/38/92/334013892.db2.gz NMXACDRWGDYDOI-GORDUTHDSA-N -1 1 301.733 3.605 20 0 DHADMM CC[C@H](C)N(CC(=O)[O-])Cc1cnc(-c2ccsc2)s1 ZINC000414678748 334067127 /nfs/dbraw/zinc/06/71/27/334067127.db2.gz JQONIHPPQMHUJD-JTQLQIEISA-N -1 1 310.444 3.557 20 0 DHADMM CC[C@H](C)N(CC(=O)[O-])Cc1ccc(-c2cccc(F)c2F)o1 ZINC000414684034 334068526 /nfs/dbraw/zinc/06/85/26/334068526.db2.gz PYCOPVSQMMLOIH-NSHDSACASA-N -1 1 323.339 3.910 20 0 DHADMM COc1cc(C(=O)N2CCc3cccc(C)c32)cc(Cl)c1[O-] ZINC000443056624 338442545 /nfs/dbraw/zinc/44/25/45/338442545.db2.gz HCXNVPLRICNAEJ-UHFFFAOYSA-N -1 1 317.772 3.566 20 0 DHADMM COCCn1c2ccccc2nc1-c1ccc([O-])c(Cl)c1 ZINC000049948345 334359650 /nfs/dbraw/zinc/35/96/50/334359650.db2.gz KDEZZQMCQPJFGA-UHFFFAOYSA-N -1 1 302.761 3.709 20 0 DHADMM COc1cc(-c2nc(CCC(F)(F)F)no2)cc(Cl)c1[O-] ZINC000443196315 338446936 /nfs/dbraw/zinc/44/69/36/338446936.db2.gz KWFMUZKQVAAYPE-UHFFFAOYSA-N -1 1 322.670 3.599 20 0 DHADMM CCOc1cc(C(=O)NC[C@H]2CCC[C@H]2C)cc(Cl)c1[O-] ZINC000467777738 334513791 /nfs/dbraw/zinc/51/37/91/334513791.db2.gz NDNIGSYONPBQBG-GHMZBOCLSA-N -1 1 311.809 3.610 20 0 DHADMM CCc1ccccc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000343014438 334594785 /nfs/dbraw/zinc/59/47/85/334594785.db2.gz OHEHZPOXYDVFQO-UHFFFAOYSA-N -1 1 307.353 3.597 20 0 DHADMM COc1cc(C(=O)Nc2c(C)cccc2C)cc(Cl)c1[O-] ZINC000344771714 335276206 /nfs/dbraw/zinc/27/62/06/335276206.db2.gz JOXSTGIBJMAVOX-UHFFFAOYSA-N -1 1 305.761 3.923 20 0 DHADMM O=C(c1cncc([O-])c1)N1CCC[C@H]1c1cccc2ccccc21 ZINC000346207445 335390465 /nfs/dbraw/zinc/39/04/65/335390465.db2.gz CYVKSWMNPYKZQL-IBGZPJMESA-N -1 1 318.376 3.918 20 0 DHADMM CCc1ccc([C@@H]2CCCCCN2C(=O)c2cncc([O-])c2)o1 ZINC000346412162 335405737 /nfs/dbraw/zinc/40/57/37/335405737.db2.gz LCVWYCRIZOFPSY-INIZCTEOSA-N -1 1 314.385 3.700 20 0 DHADMM Cc1cnc(C(=O)N2CCCC3(CCCCC3)CC2)c([O-])c1 ZINC000348209327 335566392 /nfs/dbraw/zinc/56/63/92/335566392.db2.gz KACSIYSAULSFAS-UHFFFAOYSA-N -1 1 302.418 3.672 20 0 DHADMM COc1c(C)cc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1C ZINC000445477691 338496080 /nfs/dbraw/zinc/49/60/80/338496080.db2.gz OXLQAOMEKPUOFO-UHFFFAOYSA-N -1 1 314.316 3.874 20 0 DHADMM [O-]c1ccc(-c2noc(CCn3ccc4ccccc43)n2)cc1F ZINC000445481187 338496524 /nfs/dbraw/zinc/49/65/24/338496524.db2.gz KSOBMMOQSFGZKP-UHFFFAOYSA-N -1 1 323.327 3.779 20 0 DHADMM CCc1ccccc1NC(=O)c1cc(Br)ccc1[O-] ZINC000011639296 335787526 /nfs/dbraw/zinc/78/75/26/335787526.db2.gz PRQNIMQFTRBDLQ-UHFFFAOYSA-N -1 1 320.186 3.969 20 0 DHADMM Cc1cnc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c([O-])c1 ZINC000329316992 335963268 /nfs/dbraw/zinc/96/32/68/335963268.db2.gz QRAMLYNWJVJDFB-BRWVUGGUSA-N -1 1 322.408 3.504 20 0 DHADMM O=C(Nc1ccc(Cl)cc1[O-])c1coc(C2CCCC2)n1 ZINC000331962422 336154607 /nfs/dbraw/zinc/15/46/07/336154607.db2.gz QRXHPEVIOWORPW-UHFFFAOYSA-N -1 1 306.749 3.944 20 0 DHADMM COc1ccc(C(=O)Nc2ccc(-c3cnc(C)o3)cc2)c([O-])c1 ZINC000029953597 336231101 /nfs/dbraw/zinc/23/11/01/336231101.db2.gz HSLZABBOSCGSPE-UHFFFAOYSA-N -1 1 324.336 3.617 20 0 DHADMM CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000042252672 336237841 /nfs/dbraw/zinc/23/78/41/336237841.db2.gz FMGVWYPRFKNOJE-UHFFFAOYSA-N -1 1 310.180 3.971 20 0 DHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1CC12CCCCC2 ZINC000532439569 336247376 /nfs/dbraw/zinc/24/73/76/336247376.db2.gz JZVJKIJLDAXLHF-AWEZNQCLSA-N -1 1 311.385 3.691 20 0 DHADMM O=C(CCCc1ccc(F)c(F)c1)Nc1ccc(F)cc1[O-] ZINC000532620977 336257106 /nfs/dbraw/zinc/25/71/06/336257106.db2.gz UGLVYLBKPOQLBW-UHFFFAOYSA-N -1 1 309.287 3.771 20 0 DHADMM COc1ccc([C@H](C)CC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000532622132 336257154 /nfs/dbraw/zinc/25/71/54/336257154.db2.gz DOVFFVUUPWVPND-LLVKDONJSA-N -1 1 303.333 3.672 20 0 DHADMM CSc1nc(=NC(=O)Nc2csc3ccccc23)s[n-]1 ZINC000352833091 336270361 /nfs/dbraw/zinc/27/03/61/336270361.db2.gz WVPSZKYBDPHNHU-UHFFFAOYSA-N -1 1 322.440 3.541 20 0 DHADMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000356678031 336557933 /nfs/dbraw/zinc/55/79/33/336557933.db2.gz GUUOWMFMBHHUCO-UHFFFAOYSA-N -1 1 312.394 3.652 20 0 DHADMM CC[C@H]1CC[C@@H](C)N1c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000357288086 336579414 /nfs/dbraw/zinc/57/94/14/336579414.db2.gz NQZGLHSVNKSGPB-ABAIWWIYSA-N -1 1 312.417 3.628 20 0 DHADMM Cc1ccc(NC(=O)c2c(F)ccc([O-])c2F)c2cccnc12 ZINC000358103836 336611908 /nfs/dbraw/zinc/61/19/08/336611908.db2.gz YHLUINAOARQKEY-UHFFFAOYSA-N -1 1 314.291 3.779 20 0 DHADMM Cc1ccc(-c2nnc([N-]C(=O)c3cncs3)s2)c(C)c1 ZINC000358931376 336647996 /nfs/dbraw/zinc/64/79/96/336647996.db2.gz FKJPVTDPVOOLKB-UHFFFAOYSA-N -1 1 316.411 3.531 20 0 DHADMM O=C(N[C@@H]1CC[C@H](c2ccccc2)C1)c1c(F)ccc([O-])c1F ZINC000370743411 336892557 /nfs/dbraw/zinc/89/25/57/336892557.db2.gz WGRUIGKQNIELNA-QWHCGFSZSA-N -1 1 317.335 3.737 20 0 DHADMM COC(=O)c1c[n-]c(SC/C=C/c2ccc(Cl)cc2)n1 ZINC000193559535 337078405 /nfs/dbraw/zinc/07/84/05/337078405.db2.gz ZMUNXVPYWYXVCC-NSCUHMNNSA-N -1 1 308.790 3.655 20 0 DHADMM O=C(Nc1ccccc1OC1CCCC1)c1ccc(O)cc1[O-] ZINC000193715475 337079241 /nfs/dbraw/zinc/07/92/41/337079241.db2.gz AFJMSXCJUVLUFU-UHFFFAOYSA-N -1 1 313.353 3.672 20 0 DHADMM CN(Cc1ccoc1C(=O)[O-])Cc1ccccc1C(F)(F)F ZINC000582551868 337104424 /nfs/dbraw/zinc/10/44/24/337104424.db2.gz RFOSNPVBSXYMIR-UHFFFAOYSA-N -1 1 313.275 3.629 20 0 DHADMM CCOc1cc(C(=O)N2CCCC[C@H](C)C2)cc(Cl)c1[O-] ZINC000186434513 337256218 /nfs/dbraw/zinc/25/62/18/337256218.db2.gz OVOLPSFYQSRRLB-NSHDSACASA-N -1 1 311.809 3.707 20 0 DHADMM CCc1nc(SCc2ccc3[nH]c(C)nc3c2)[n-]c(=O)c1C ZINC000583274277 337299996 /nfs/dbraw/zinc/29/99/96/337299996.db2.gz UTVFLXQKOCDSDG-UHFFFAOYSA-N -1 1 314.414 3.530 20 0 DHADMM C[C@@H](c1ccc(C(=O)[O-])o1)N(C)Cc1ccc(Cl)c(F)c1 ZINC000583758758 337330550 /nfs/dbraw/zinc/33/05/50/337330550.db2.gz VWZVVVMXGKSEDU-VIFPVBQESA-N -1 1 311.740 3.963 20 0 DHADMM O=C([N-]c1nncs1)c1csc(-c2cccc(Cl)c2)n1 ZINC000048797246 337435394 /nfs/dbraw/zinc/43/53/94/337435394.db2.gz YEBIBKOGUFYZOZ-UHFFFAOYSA-N -1 1 322.802 3.567 20 0 DHADMM C[C@H](c1ccccn1)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000121279793 337890171 /nfs/dbraw/zinc/89/01/71/337890171.db2.gz GJWHQMARTONNMI-CYBMUJFWSA-N -1 1 306.365 3.774 20 0 DHADMM CC(C)N(Cc1ccccn1)C(=O)c1ccc2ccccc2c1[O-] ZINC000537639493 337954749 /nfs/dbraw/zinc/95/47/49/337954749.db2.gz OUDLGXMGMSOWQB-UHFFFAOYSA-N -1 1 320.392 3.991 20 0 DHADMM Cc1cc([C@H]2CCCN2C(=O)c2cc3ccccc3cc2[O-])on1 ZINC000537639977 337954751 /nfs/dbraw/zinc/95/47/51/337954751.db2.gz SPPURONVZVNERF-MRXNPFEDSA-N -1 1 322.364 3.819 20 0 DHADMM CC(C)C[C@@H](C)OCCc1nc(-c2ccc([O-])cc2F)no1 ZINC000445456824 338017579 /nfs/dbraw/zinc/01/75/79/338017579.db2.gz KKNVCBBTZRLSQP-LLVKDONJSA-N -1 1 308.353 3.575 20 0 DHADMM CCOc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445456996 338017592 /nfs/dbraw/zinc/01/75/92/338017592.db2.gz XAMSOIXKGKIDMD-UHFFFAOYSA-N -1 1 300.289 3.647 20 0 DHADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc2cc[nH]c2c1 ZINC000432640061 338161535 /nfs/dbraw/zinc/16/15/35/338161535.db2.gz CJLMMHPQFXJEIC-UHFFFAOYSA-N -1 1 300.383 3.531 20 0 DHADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc2cc[nH]c2c1 ZINC000432649439 338161709 /nfs/dbraw/zinc/16/17/09/338161709.db2.gz QGAMLAKKCDXSNW-UHFFFAOYSA-N -1 1 320.801 3.931 20 0 DHADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(C(C)(F)F)c1 ZINC000436174019 338260613 /nfs/dbraw/zinc/26/06/13/338260613.db2.gz IILPYZUYXQWYTD-UHFFFAOYSA-N -1 1 311.353 3.908 20 0 DHADMM CCc1cc(=O)[n-]c(SC[C@@H]2CCCc3ccccc32)n1 ZINC000436208103 338261959 /nfs/dbraw/zinc/26/19/59/338261959.db2.gz UPJAGYWZKYGYSM-ZDUSSCGKSA-N -1 1 300.427 3.957 20 0 DHADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc3ccccc3c2)c1 ZINC000436502796 338274438 /nfs/dbraw/zinc/27/44/38/338274438.db2.gz FSNKDQSCQGZPHM-UHFFFAOYSA-N -1 1 321.332 3.584 20 0 DHADMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(C(C)C)s2)c1 ZINC000436504136 338274491 /nfs/dbraw/zinc/27/44/91/338274491.db2.gz IWDIRAIKBQAFAC-UHFFFAOYSA-N -1 1 319.382 3.616 20 0 DHADMM CC(C)c1ccc(C(=O)N2C[C@@H](C)Oc3ccccc32)c([O-])c1 ZINC000436542905 338276391 /nfs/dbraw/zinc/27/63/91/338276391.db2.gz JHIZFNQGNGFQLO-CYBMUJFWSA-N -1 1 311.381 3.943 20 0 DHADMM CCc1noc(CC)c1CNC(=O)c1ccc2ccccc2c1[O-] ZINC000436575460 338277916 /nfs/dbraw/zinc/27/79/16/338277916.db2.gz MYZIKWXPQPIVNJ-UHFFFAOYSA-N -1 1 324.380 3.588 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2ccc([S@](C)=O)cc2)c([O-])c1 ZINC000436591895 338279018 /nfs/dbraw/zinc/27/90/18/338279018.db2.gz RTGXDSGWBLAMRI-QFIPXVFZSA-N -1 1 317.410 3.505 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CCOC2(C1)CCCCCC2 ZINC000436594558 338279193 /nfs/dbraw/zinc/27/91/93/338279193.db2.gz FOYFHFAFPSFDQU-UHFFFAOYSA-N -1 1 323.820 3.611 20 0 DHADMM O=C(NCc1nc2ccccc2s1)c1ccc(Cl)cc1[O-] ZINC000436661588 338282051 /nfs/dbraw/zinc/28/20/51/338282051.db2.gz YXLCHRKKGJJJEN-UHFFFAOYSA-N -1 1 318.785 3.585 20 0 DHADMM O=C(N[C@@H]1CCc2cc(F)ccc21)c1ccc(Cl)cc1[O-] ZINC000436673321 338282345 /nfs/dbraw/zinc/28/23/45/338282345.db2.gz FBXWMVJVKJLCEH-CQSZACIVSA-N -1 1 305.736 3.602 20 0 DHADMM COc1ccc(C(=O)Nc2ccc(-c3ccccc3)cn2)c([O-])c1 ZINC000436683908 338282624 /nfs/dbraw/zinc/28/26/24/338282624.db2.gz WJTPZJAAQFOOPF-UHFFFAOYSA-N -1 1 320.348 3.715 20 0 DHADMM O=C(C(=O)N1CCC[C@H]1CC1CCCCC1)c1ccc([O-])cc1 ZINC000436690919 338282988 /nfs/dbraw/zinc/28/29/88/338282988.db2.gz SBBDJSFKMAEZFP-INIZCTEOSA-N -1 1 315.413 3.536 20 0 DHADMM Cc1cccc([C@H]2CCCN2C(=O)C(=O)c2ccc([O-])cc2)c1C ZINC000436696913 338283228 /nfs/dbraw/zinc/28/32/28/338283228.db2.gz ILVOGFWQRZCMPD-GOSISDBHSA-N -1 1 323.392 3.555 20 0 DHADMM [O-]c1ccc(-c2nc(CCCc3ccsc3)no2)c(F)c1 ZINC000436691931 338283230 /nfs/dbraw/zinc/28/32/30/338283230.db2.gz VDEYUNXYKZWWSG-UHFFFAOYSA-N -1 1 304.346 3.818 20 0 DHADMM CCSc1cccc(CNC(=O)c2c([O-])cccc2F)c1 ZINC000436701543 338283399 /nfs/dbraw/zinc/28/33/99/338283399.db2.gz BECAERLVJZPQIV-UHFFFAOYSA-N -1 1 305.374 3.573 20 0 DHADMM CCCCN(C(=O)C(=O)c1ccc([O-])cc1)[C@@H]1CCC[C@H](C)C1 ZINC000436708469 338283604 /nfs/dbraw/zinc/28/36/04/338283604.db2.gz VCONYSKAYZBDDS-GOEBONIOSA-N -1 1 317.429 3.782 20 0 DHADMM O=C(Nc1ccc2[nH]cnc2c1)c1cc2ccccc2cc1[O-] ZINC000436710343 338283645 /nfs/dbraw/zinc/28/36/45/338283645.db2.gz SJFGRVUXIBSCKH-UHFFFAOYSA-N -1 1 303.321 3.674 20 0 DHADMM CC[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1nc(C)cs1 ZINC000436719210 338284069 /nfs/dbraw/zinc/28/40/69/338284069.db2.gz OYLYPSUUASRWKA-LLVKDONJSA-N -1 1 310.806 3.692 20 0 DHADMM CCOCc1ccccc1CNC(=O)c1ccc(Cl)cc1[O-] ZINC000436723393 338284213 /nfs/dbraw/zinc/28/42/13/338284213.db2.gz NQIUIODUAOQFKZ-UHFFFAOYSA-N -1 1 319.788 3.512 20 0 DHADMM C[C@@H](CNC(=O)c1cc(Cl)ccc1[O-])c1ccc(F)cc1 ZINC000436723793 338284351 /nfs/dbraw/zinc/28/43/51/338284351.db2.gz WDZUHVRPTBGULL-JTQLQIEISA-N -1 1 307.752 3.718 20 0 DHADMM CCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)C1CCCCC1 ZINC000436734582 338284729 /nfs/dbraw/zinc/28/47/29/338284729.db2.gz AYHCOEMIBYTFTG-UHFFFAOYSA-N -1 1 311.809 3.849 20 0 DHADMM CC(C)(C)Nc1ccccc1NC(=O)c1ccc(O)cc1[O-] ZINC000436742087 338284996 /nfs/dbraw/zinc/28/49/96/338284996.db2.gz UTEPJZKMPRKENS-UHFFFAOYSA-N -1 1 300.358 3.561 20 0 DHADMM CC[C@H](c1ccccc1OC)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000436743072 338285031 /nfs/dbraw/zinc/28/50/31/338285031.db2.gz WPXXFVPBMSRZME-OAHLLOKOSA-N -1 1 317.360 3.763 20 0 DHADMM O=C(c1ccc(O)cc1[O-])N(Cc1ccccc1)c1ccccc1 ZINC000436746266 338285231 /nfs/dbraw/zinc/28/52/31/338285231.db2.gz XKBPCIOZRYDFSC-UHFFFAOYSA-N -1 1 319.360 3.945 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCc2ccccc2C1 ZINC000436752942 338285525 /nfs/dbraw/zinc/28/55/25/338285525.db2.gz TUFKEUXLCUOSLO-UHFFFAOYSA-N -1 1 321.298 3.610 20 0 DHADMM CC[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436761853 338286219 /nfs/dbraw/zinc/28/62/19/338286219.db2.gz AKBFAKZIOMXYQB-NSHDSACASA-N -1 1 301.308 3.816 20 0 DHADMM C[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C[C@@H](C)C1 ZINC000436765124 338286459 /nfs/dbraw/zinc/28/64/59/338286459.db2.gz VSEYEZTWPIHGBS-QWRGUYRKSA-N -1 1 315.335 3.919 20 0 DHADMM C[C@@H](C1CCC1)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436769340 338286529 /nfs/dbraw/zinc/28/65/29/338286529.db2.gz IFTATMIAPDNPJK-VIFPVBQESA-N -1 1 301.308 3.672 20 0 DHADMM O=C(Nc1ccc(F)cc1F)c1ccc(C(F)(F)F)cc1[O-] ZINC000436796289 338287789 /nfs/dbraw/zinc/28/77/89/338287789.db2.gz VXXCXFRZGKQFCK-UHFFFAOYSA-N -1 1 317.213 3.942 20 0 DHADMM CN(Cc1cccc2[nH]ccc21)C(=O)c1ccc(Cl)cc1[O-] ZINC000436819528 338288453 /nfs/dbraw/zinc/28/84/53/338288453.db2.gz YKAHHJHWOBZRHB-UHFFFAOYSA-N -1 1 314.772 3.799 20 0 DHADMM C[C@@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1(F)F ZINC000436820505 338288591 /nfs/dbraw/zinc/28/85/91/338288591.db2.gz RKPHZKGWYDWIEH-LLVKDONJSA-N -1 1 305.324 3.663 20 0 DHADMM C[C@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1(F)F ZINC000436820506 338288692 /nfs/dbraw/zinc/28/86/92/338288692.db2.gz RKPHZKGWYDWIEH-NSHDSACASA-N -1 1 305.324 3.663 20 0 DHADMM Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc([O-])cc3F)C2)cc1 ZINC000436827452 338288802 /nfs/dbraw/zinc/28/88/02/338288802.db2.gz NUXYYXVMPKGXNC-ZFWWWQNUSA-N -1 1 313.372 3.858 20 0 DHADMM Cc1cccc(CCCNC(=O)c2ccc3ccccc3c2[O-])n1 ZINC000436825762 338288876 /nfs/dbraw/zinc/28/88/76/338288876.db2.gz MFDKNBJHKFXKGX-UHFFFAOYSA-N -1 1 320.392 3.611 20 0 DHADMM CCO[C@@H](CCNC(=O)c1ccc2ccccc2c1[O-])C(C)C ZINC000436838668 338289296 /nfs/dbraw/zinc/28/92/96/338289296.db2.gz NBGWJNHVZMXGSJ-KRWDZBQOSA-N -1 1 315.413 3.726 20 0 DHADMM O=C([O-])c1ccnc(/C=C/c2cc(Cl)c(O)cc2Cl)c1 ZINC000436853140 338289958 /nfs/dbraw/zinc/28/99/58/338289958.db2.gz BXCFJYSKRBCHHO-OWOJBTEDSA-N -1 1 310.136 3.963 20 0 DHADMM Cc1nc(-c2nc(-c3ccc([O-])cc3Cl)no2)c(C)s1 ZINC000436871338 338290817 /nfs/dbraw/zinc/29/08/17/338290817.db2.gz KDKINMWNJXNMQD-UHFFFAOYSA-N -1 1 307.762 3.836 20 0 DHADMM [O-]c1ccc(-c2noc(/C=C\c3cncs3)n2)c(Cl)c1 ZINC000436873736 338291004 /nfs/dbraw/zinc/29/10/04/338291004.db2.gz QTZFJAWTXYAYBJ-RQOWECAXSA-N -1 1 305.746 3.723 20 0 DHADMM Cc1csc(CCc2nc(-c3ccc([O-])cc3Cl)no2)n1 ZINC000436873509 338291015 /nfs/dbraw/zinc/29/10/15/338291015.db2.gz POIGTQURFBQLRZ-UHFFFAOYSA-N -1 1 321.789 3.646 20 0 DHADMM COC1(c2nc(-c3ccc([O-])cc3Cl)no2)CCCCC1 ZINC000436874743 338291119 /nfs/dbraw/zinc/29/11/19/338291119.db2.gz VGDIMYFFTDCMJM-UHFFFAOYSA-N -1 1 308.765 3.901 20 0 DHADMM C[C@@H]1CCN(C(=O)c2ccc([O-])cc2F)[C@H]1c1cccc(F)c1 ZINC000436878341 338291282 /nfs/dbraw/zinc/29/12/82/338291282.db2.gz FUHUCOXRGPCVOZ-PIGZYNQJSA-N -1 1 317.335 3.894 20 0 DHADMM O=C(N[C@H]1CC[C@H](c2cccc(F)c2)C1)c1c([O-])cccc1F ZINC000436921686 338293428 /nfs/dbraw/zinc/29/34/28/338293428.db2.gz KJODIPVKMAVWTF-JSGCOSHPSA-N -1 1 317.335 3.737 20 0 DHADMM O=C(NCc1ccc2sccc2c1)c1c([O-])cccc1F ZINC000436925982 338293911 /nfs/dbraw/zinc/29/39/11/338293911.db2.gz IEDDDTCOTCUEMY-UHFFFAOYSA-N -1 1 301.342 3.676 20 0 DHADMM CO[C@@](C)(c1noc(-c2ccc3ccccc3c2[O-])n1)C1CC1 ZINC000436955261 338295782 /nfs/dbraw/zinc/29/57/82/338295782.db2.gz KBHVVDTYGINLSJ-GOSISDBHSA-N -1 1 310.353 3.867 20 0 DHADMM C[C@@H](NC(=O)c1cc(Cl)ccc1[O-])c1ccc(Cl)cn1 ZINC000436979478 338296619 /nfs/dbraw/zinc/29/66/19/338296619.db2.gz JZGSTCQNOKRWSI-MRVPVSSYSA-N -1 1 311.168 3.585 20 0 DHADMM CC(C)(C)C[C@@H](NC(=O)c1c([O-])cccc1F)C(F)(F)F ZINC000436992446 338296965 /nfs/dbraw/zinc/29/69/65/338296965.db2.gz YOTUIXDLMVRUFA-SNVBAGLBSA-N -1 1 307.287 3.628 20 0 DHADMM CN(Cc1cc(F)cc(F)c1)C(=O)c1cc(Cl)ccc1[O-] ZINC000436998970 338297364 /nfs/dbraw/zinc/29/73/64/338297364.db2.gz CVOSIGUMXBIJGU-UHFFFAOYSA-N -1 1 311.715 3.596 20 0 DHADMM CC(C)[C@H](CC(F)(F)F)NC(=O)c1cc(Cl)ccc1[O-] ZINC000438608426 338349795 /nfs/dbraw/zinc/34/97/95/338349795.db2.gz MUDDJLGSYHJDRY-JTQLQIEISA-N -1 1 309.715 3.752 20 0 DHADMM COc1cc(C(=O)Nc2scnc2C2CC2)cc(Cl)c1[O-] ZINC000442796654 338432161 /nfs/dbraw/zinc/43/21/61/338432161.db2.gz GJHVORUKJKRSOK-UHFFFAOYSA-N -1 1 324.789 3.640 20 0 DHADMM COc1cc(C)cc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1C ZINC000447267131 338547842 /nfs/dbraw/zinc/54/78/42/338547842.db2.gz ZLOZAYPDVITVDI-UHFFFAOYSA-N -1 1 323.389 3.560 20 0 DHADMM COCCn1nc(C)c([N-]c2nc3cc(C)cc(C)c3o2)c1C ZINC000450371134 338680363 /nfs/dbraw/zinc/68/03/63/338680363.db2.gz DXBRIAOJKGUVSP-UHFFFAOYSA-N -1 1 314.389 3.648 20 0 DHADMM O=C(NCC[C@@H]1CCc2ccccc21)c1c(F)ccc([O-])c1F ZINC000452310617 338762685 /nfs/dbraw/zinc/76/26/85/338762685.db2.gz FKHGWJDEKWRTKF-LBPRGKRZSA-N -1 1 317.335 3.520 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCc2ccc(F)cc21 ZINC000194896829 338775630 /nfs/dbraw/zinc/77/56/30/338775630.db2.gz QITXDWFIAFIWLA-UHFFFAOYSA-N -1 1 307.324 3.887 20 0 DHADMM CC(C)n1ncc(C(=O)Nc2ccc([O-])c(F)c2F)c1C1CC1 ZINC000456786325 338940670 /nfs/dbraw/zinc/94/06/70/338940670.db2.gz OLWRCEKIKNPABH-UHFFFAOYSA-N -1 1 321.327 3.578 20 0 DHADMM CCC(CC)c1cc(C(=O)Nc2ccc([O-])c(F)c2F)on1 ZINC000456788667 338940897 /nfs/dbraw/zinc/94/08/97/338940897.db2.gz SAQHLORXEQULFM-UHFFFAOYSA-N -1 1 310.300 3.814 20 0 DHADMM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc([O-])c(F)c1F ZINC000456790224 338940919 /nfs/dbraw/zinc/94/09/19/338940919.db2.gz WBFUPIGUJZHGKK-GWCFXTLKSA-N -1 1 313.344 3.594 20 0 DHADMM CC(C)(C)c1cnc(CCC(=O)Nc2ccc([O-])c(F)c2F)o1 ZINC000456792102 338941006 /nfs/dbraw/zinc/94/10/06/338941006.db2.gz ZZWXNAYPTJNITF-UHFFFAOYSA-N -1 1 324.327 3.527 20 0 DHADMM CC[C@H](Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1)C(C)C ZINC000462383276 339077545 /nfs/dbraw/zinc/07/75/45/339077545.db2.gz DOEYRVJTKFOYTB-AWEZNQCLSA-N -1 1 300.406 3.708 20 0 DHADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000468549451 339265999 /nfs/dbraw/zinc/26/59/99/339265999.db2.gz UIUIJRQZLKKFHF-UHFFFAOYSA-N -1 1 311.353 3.889 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(C)cc2F)sc1Cl ZINC000473506663 339386473 /nfs/dbraw/zinc/38/64/73/339386473.db2.gz UYGLTQSVMXXMNQ-UHFFFAOYSA-N -1 1 319.810 3.958 20 0 DHADMM O=S(=O)([N-][C@H]1C=CCCC1)c1ccc(Cl)c(F)c1Cl ZINC000473858889 339393511 /nfs/dbraw/zinc/39/35/11/339393511.db2.gz MJSGPDGEKAGSCE-QMMMGPOBSA-N -1 1 324.204 3.520 20 0 DHADMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000479503941 339538460 /nfs/dbraw/zinc/53/84/60/339538460.db2.gz QRFOFWGKMMLRFM-UHFFFAOYSA-N -1 1 322.386 3.545 20 0 DHADMM CC[C@H](C)CC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000480534752 339576395 /nfs/dbraw/zinc/57/63/95/339576395.db2.gz FTTKBRXRLOHZNE-QMMMGPOBSA-N -1 1 300.196 3.838 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3scnc3c2)c(C)c1 ZINC000499227660 340032870 /nfs/dbraw/zinc/03/28/70/340032870.db2.gz IRYGOOGIDFSQDE-UHFFFAOYSA-N -1 1 318.423 3.714 20 0 DHADMM Cc1cccc(S(=O)(=O)[N-]c2ccccc2N(C)C(C)C)c1 ZINC000500822706 340067878 /nfs/dbraw/zinc/06/78/78/340067878.db2.gz MVWGNQGSQHNXIO-UHFFFAOYSA-N -1 1 318.442 3.640 20 0 DHADMM C[C@H](Cc1cncc2ccccc21)C(=O)Nc1ccc(F)cc1[O-] ZINC000501321419 340078558 /nfs/dbraw/zinc/07/85/58/340078558.db2.gz FXAUJSIHWGTCRI-GFCCVEGCSA-N -1 1 324.355 3.897 20 0 DHADMM CCSc1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000505322942 340166259 /nfs/dbraw/zinc/16/62/59/340166259.db2.gz NFKAJDLXPUEMJK-UHFFFAOYSA-N -1 1 311.403 3.739 20 0 DHADMM CCc1ccc([C@@H]2COCCN2Cc2cccc([O-])c2Cl)o1 ZINC000508609761 340247903 /nfs/dbraw/zinc/24/79/03/340247903.db2.gz SFOOLFVGIWCNJK-AWEZNQCLSA-N -1 1 321.804 3.775 20 0 DHADMM CSc1cccc(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000509091281 340261121 /nfs/dbraw/zinc/26/11/21/340261121.db2.gz ZVSOXIRHVPWKSD-UHFFFAOYSA-N -1 1 307.440 3.826 20 0 DHADMM C[C@H](c1ccccc1)[C@](C)(O)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000305813661 340389624 /nfs/dbraw/zinc/38/96/24/340389624.db2.gz KXIBTXBVKZPUPA-DIFFPNOSSA-N -1 1 319.788 3.539 20 0 DHADMM CCCN(Cc1cccc([O-])c1Cl)[C@@H](CC)C(=O)OCC ZINC000513189392 340396136 /nfs/dbraw/zinc/39/61/36/340396136.db2.gz XMYDSMUAPASXRA-ZDUSSCGKSA-N -1 1 313.825 3.599 20 0 DHADMM CCCc1cc(=O)[n-]c(S[C@H](C(C)=O)c2ccccc2)n1 ZINC000513324039 340402295 /nfs/dbraw/zinc/40/22/95/340402295.db2.gz VXIKSFASKUHFMF-OAHLLOKOSA-N -1 1 302.399 3.557 20 0 DHADMM CC(C)Oc1ccccc1[C@H](C)NC(=O)c1ccc([O-])cc1F ZINC000517065919 340462967 /nfs/dbraw/zinc/46/29/67/340462967.db2.gz PJSDGYSXWDRGAI-LBPRGKRZSA-N -1 1 317.360 3.810 20 0 DHADMM CSc1nsc([N-]C(=O)c2coc(C3CCCCC3)n2)n1 ZINC000517397312 340469185 /nfs/dbraw/zinc/46/91/85/340469185.db2.gz WTWWBIUQXMUTEP-UHFFFAOYSA-N -1 1 324.431 3.548 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccccc2)c1 ZINC000182901352 340485849 /nfs/dbraw/zinc/48/58/49/340485849.db2.gz POOKSTXBSXQEIZ-UHFFFAOYSA-N -1 1 306.159 3.715 20 0 DHADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000187235995 340518632 /nfs/dbraw/zinc/51/86/32/340518632.db2.gz CTSFVDVJIDETTM-UHFFFAOYSA-N -1 1 300.383 3.531 20 0 DHADMM CC(C)OCc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000194034525 340588287 /nfs/dbraw/zinc/58/82/87/340588287.db2.gz NMZAENPFSUZLLM-UHFFFAOYSA-N -1 1 323.389 3.552 20 0 DHADMM CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc(Br)c([O-])c1 ZINC000231348849 340622257 /nfs/dbraw/zinc/62/22/57/340622257.db2.gz IEKDROCTJYDYPH-NXEZZACHSA-N -1 1 314.223 3.709 20 0 DHADMM C[C@@H](Cc1cccs1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000316447505 340685403 /nfs/dbraw/zinc/68/54/03/340685403.db2.gz SIDTZQIKERQGHQ-LBPRGKRZSA-N -1 1 311.406 3.968 20 0 DHADMM C[C@H](Cc1cccs1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000316447504 340685408 /nfs/dbraw/zinc/68/54/08/340685408.db2.gz SIDTZQIKERQGHQ-GFCCVEGCSA-N -1 1 311.406 3.968 20 0 DHADMM Cc1ccc(C(=O)N(C)C)cc1NCc1cccc([O-])c1Cl ZINC000328226943 340750729 /nfs/dbraw/zinc/75/07/29/340750729.db2.gz MZPWTZDVDYCKJL-UHFFFAOYSA-N -1 1 318.804 3.668 20 0 DHADMM C[C@@H]1COCC[C@H]1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529538539 340760761 /nfs/dbraw/zinc/76/07/61/340760761.db2.gz DGOGFWUWYYZAPY-GHMZBOCLSA-N -1 1 319.788 3.810 20 0 DHADMM C[C@H]1COCC[C@H]1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529538542 340760774 /nfs/dbraw/zinc/76/07/74/340760774.db2.gz DGOGFWUWYYZAPY-WDEREUQCSA-N -1 1 319.788 3.810 20 0 DHADMM CO[C@H](C(=O)Nc1cc(Cl)c([O-])c2ccccc12)C(C)C ZINC000529539046 340761065 /nfs/dbraw/zinc/76/10/65/340761065.db2.gz OJDVMUKLEYIJGM-HNNXBMFYSA-N -1 1 307.777 3.808 20 0 DHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000529540274 340761128 /nfs/dbraw/zinc/76/11/28/340761128.db2.gz WWMINKVNRKYBHK-BCQZVRRWSA-N -1 1 317.772 3.705 20 0 DHADMM C[C@@H](OCC1CC1)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529539421 340761154 /nfs/dbraw/zinc/76/11/54/340761154.db2.gz RZYHGEJALTUXTB-SNVBAGLBSA-N -1 1 319.788 3.952 20 0 DHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)[C@@H]1CCCOCC1 ZINC000529540275 340761264 /nfs/dbraw/zinc/76/12/64/340761264.db2.gz WXKTYYUHXKCOKC-LLVKDONJSA-N -1 1 319.788 3.954 20 0 DHADMM O=C(Nc1cccc(C2CCOCC2)c1)c1ccc([O-])c(F)c1 ZINC000529936791 340774004 /nfs/dbraw/zinc/77/40/04/340774004.db2.gz XSPLAEREZFEQCM-UHFFFAOYSA-N -1 1 315.344 3.678 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])c1ccc([C@H]2CCCOC2)cc1 ZINC000530006315 340776017 /nfs/dbraw/zinc/77/60/17/340776017.db2.gz RHWPMHDLSMZLAU-AWEZNQCLSA-N -1 1 315.344 3.678 20 0 DHADMM CSc1cccc([N-]S(=O)(=O)c2cccc(C)c2)c1C ZINC000538087227 340808832 /nfs/dbraw/zinc/80/88/32/340808832.db2.gz GLHWBDMTNYOPGB-UHFFFAOYSA-N -1 1 307.440 3.826 20 0 DHADMM Cc1ccc(F)c([N-]S(=O)(=O)c2cccc(C)c2Cl)c1 ZINC000538307804 340817659 /nfs/dbraw/zinc/81/76/59/340817659.db2.gz IULMJYZTYFSTNX-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(-c2ccccc2)no1 ZINC000129569040 340971926 /nfs/dbraw/zinc/97/19/26/340971926.db2.gz GFNQZKAXEMYXES-UHFFFAOYSA-N -1 1 314.728 3.953 20 0 DHADMM CC[C@H](C)CN(CC)C(=O)c1ccc(Br)c([O-])c1 ZINC000131166176 341063552 /nfs/dbraw/zinc/06/35/52/341063552.db2.gz QIMKOPKBIMYMHB-JTQLQIEISA-N -1 1 314.223 3.663 20 0 DHADMM Cc1ccc([C@@H]2CCN(C(=O)c3ccc(Cl)cc3[O-])C2)cc1 ZINC000544286217 341075987 /nfs/dbraw/zinc/07/59/87/341075987.db2.gz WKGNBFRBKGFYQG-CQSZACIVSA-N -1 1 315.800 3.984 20 0 DHADMM CCOc1cc(C(=O)N[C@@H]2CCC(C)(C)C2)cc(Cl)c1[O-] ZINC000545843639 341143141 /nfs/dbraw/zinc/14/31/41/341143141.db2.gz YGZRUDNGNZLBEV-LLVKDONJSA-N -1 1 311.809 3.753 20 0 DHADMM CCOc1cc(C(=O)N2CC[C@H](C(C)C)C2)cc(Cl)c1[O-] ZINC000545857892 341143356 /nfs/dbraw/zinc/14/33/56/341143356.db2.gz XUVLTWURTCMLLU-NSHDSACASA-N -1 1 311.809 3.562 20 0 DHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c1 ZINC000132921204 341149556 /nfs/dbraw/zinc/14/95/56/341149556.db2.gz HHFZYZDQSJFUPF-UHFFFAOYSA-N -1 1 317.410 3.641 20 0 DHADMM [O-]c1ccc(F)cc1-c1nc(Cc2ccc(Cl)cc2)no1 ZINC000132977784 341150998 /nfs/dbraw/zinc/15/09/98/341150998.db2.gz OYUKUAVKSOCIRN-UHFFFAOYSA-N -1 1 304.708 3.826 20 0 DHADMM CCOc1cc(C(=O)N2C[C@H](C)C[C@H]2CC)cc(Cl)c1[O-] ZINC000546558133 341172980 /nfs/dbraw/zinc/17/29/80/341172980.db2.gz JOOHRQQKENSOTM-ZYHUDNBSSA-N -1 1 311.809 3.705 20 0 DHADMM C[C@H](CS(=O)(=O)[N-]c1cc(F)cc(F)c1)c1ccccc1 ZINC000133442601 341175429 /nfs/dbraw/zinc/17/54/29/341175429.db2.gz IBMUFGLTDWEWTC-LLVKDONJSA-N -1 1 311.353 3.510 20 0 DHADMM COc1cc(C(=O)Nc2ccc(C)cc2C)cc(Cl)c1[O-] ZINC000547299659 341204056 /nfs/dbraw/zinc/20/40/56/341204056.db2.gz ZCSGVUNVBGPBBD-UHFFFAOYSA-N -1 1 305.761 3.923 20 0 DHADMM CC[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1nccs1 ZINC000134238613 341210372 /nfs/dbraw/zinc/21/03/72/341210372.db2.gz VYOGGPIMSAQLPZ-AWEZNQCLSA-N -1 1 312.394 3.883 20 0 DHADMM [O-]c1ccc(-c2nc(C(F)(F)c3ccc(F)cc3)no2)c(F)c1 ZINC000547618606 341223217 /nfs/dbraw/zinc/22/32/17/341223217.db2.gz WYNXDRFHBKQADI-UHFFFAOYSA-N -1 1 324.233 3.861 20 0 DHADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000135387839 341238275 /nfs/dbraw/zinc/23/82/75/341238275.db2.gz SAKRMFMKFIEMGR-UHFFFAOYSA-N -1 1 321.373 3.528 20 0 DHADMM CCCc1cc(=O)[n-]c(SC[C@H](OC)c2ccccc2)n1 ZINC000549223940 341288922 /nfs/dbraw/zinc/28/89/22/341288922.db2.gz OPXVCCKUVFHTCY-AWEZNQCLSA-N -1 1 304.415 3.615 20 0 DHADMM CCc1nnsc1C(=O)[N-]c1c(F)cc(Cl)c(C)c1F ZINC000551714445 341349482 /nfs/dbraw/zinc/34/94/82/341349482.db2.gz JPEKJIFZULHTQF-UHFFFAOYSA-N -1 1 317.748 3.593 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@H](c2ccncc2)C1 ZINC000552133782 341372295 /nfs/dbraw/zinc/37/22/95/341372295.db2.gz MPYMVBDMOOFAJG-QGZVFWFLSA-N -1 1 318.376 3.570 20 0 DHADMM Cc1cc(C)cc(C[C@H](C)NC(=O)c2ccc([O-])cc2F)c1 ZINC000154934939 341598621 /nfs/dbraw/zinc/59/86/21/341598621.db2.gz KFMWVKMVPYBWNP-ZDUSSCGKSA-N -1 1 301.361 3.509 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cnc4ccsc4c3)n2)cc1F ZINC000577337143 341904750 /nfs/dbraw/zinc/90/47/50/341904750.db2.gz NCQVEIJIDZXGNE-UHFFFAOYSA-N -1 1 313.313 3.858 20 0 DHADMM CC1(C)C[C@@H](C(=O)Nc2cccc(F)c2[O-])c2ccccc2O1 ZINC000530004324 517512769 /nfs/dbraw/zinc/51/27/69/517512769.db2.gz KIPMAQMCLFWFHS-GFCCVEGCSA-N -1 1 315.344 3.815 20 0 DHADMM COc1ccc([C@@H]2CCCN2C(=O)c2ccc([O-])cc2F)cc1 ZINC000181087269 525247369 /nfs/dbraw/zinc/24/73/69/525247369.db2.gz BQXVUHZRHILDJE-KRWDZBQOSA-N -1 1 315.344 3.517 20 0 DHADMM Cc1ccc(NCc2cccc([O-])c2Cl)cc1C(=O)N(C)C ZINC000339323935 525283716 /nfs/dbraw/zinc/28/37/16/525283716.db2.gz MZNRURTWNSQKSV-UHFFFAOYSA-N -1 1 318.804 3.668 20 0 DHADMM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2ncccc2[O-])cc1 ZINC000364252595 525827425 /nfs/dbraw/zinc/82/74/25/525827425.db2.gz ONOKQJKRSCOYFM-HOTGVXAUSA-N -1 1 310.397 3.504 20 0 DHADMM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2cncc([O-])c2)cc1 ZINC000339955037 525865989 /nfs/dbraw/zinc/86/59/89/525865989.db2.gz IUTOTDUWNXZHDE-KSSFIOAISA-N -1 1 310.397 3.709 20 0 DHADMM CSc1cccc(C)c1[N-]C(=O)c1nc2cccnc2s1 ZINC000338219522 526095641 /nfs/dbraw/zinc/09/56/41/526095641.db2.gz HALCVXABGYNWMY-UHFFFAOYSA-N -1 1 315.423 3.974 20 0 DHADMM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1cncc([O-])c1 ZINC000179037428 526677754 /nfs/dbraw/zinc/67/77/54/526677754.db2.gz OXZGGSPIXMQDBI-LLVKDONJSA-N -1 1 319.430 3.509 20 0 DHADMM CC(C)(Cc1nc(-c2ccc([O-])cc2F)no1)C(F)(F)F ZINC000289172641 535193184 /nfs/dbraw/zinc/19/31/84/535193184.db2.gz VPTVCOXPTWOITK-UHFFFAOYSA-N -1 1 304.243 3.712 20 0 DHADMM CC(C)C(=O)c1ccc([C@H](C)C(=O)[N-]OC2CCCC2)cc1 ZINC000284494772 535376438 /nfs/dbraw/zinc/37/64/38/535376438.db2.gz UPKSRTWJEYUBAB-ZDUSSCGKSA-N -1 1 303.402 3.619 20 0 DHADMM CCn1c2ccccc2nc1[C@H](C)NCc1cccc(C(=O)[O-])c1 ZINC000263375741 598192312 /nfs/dbraw/zinc/19/23/12/598192312.db2.gz ALQVFLLVKUKKTE-ZDUSSCGKSA-N -1 1 323.396 3.605 20 0 DHADMM COc1c(C)cc(CN(C)Cc2cc(C)c(C(=O)[O-])o2)cc1C ZINC000576590031 599719947 /nfs/dbraw/zinc/71/99/47/599719947.db2.gz MUOURBKQNXBTHU-UHFFFAOYSA-N -1 1 317.385 3.544 20 0 DHADMM CC[C@](NCc1c(F)cccc1Cl)(C(=O)[O-])c1ccccc1 ZINC000736917563 600128933 /nfs/dbraw/zinc/12/89/33/600128933.db2.gz NTTQLMQFOZJFAN-QGZVFWFLSA-N -1 1 321.779 3.959 20 0 DHADMM Cc1ccc([C@@H]2CSCCN2Cc2occc2C(=O)[O-])cc1 ZINC000580084180 600218152 /nfs/dbraw/zinc/21/81/52/600218152.db2.gz MKTLOXCCIYPSRW-HNNXBMFYSA-N -1 1 317.410 3.576 20 0 DHADMM CC(C)N(CCC(=O)[O-])Cc1csc(-c2ccccc2F)n1 ZINC000736469026 600221061 /nfs/dbraw/zinc/22/10/61/600221061.db2.gz UFUVDYAMQQWLFB-UHFFFAOYSA-N -1 1 322.405 3.634 20 0 DHADMM O=C([O-])[C@@H](c1cccc(Cl)c1)[N@H+]1CCc2sccc2C1 ZINC000517576773 600395972 /nfs/dbraw/zinc/39/59/72/600395972.db2.gz ZESMVEIHKILIKB-CQSZACIVSA-N -1 1 307.802 3.586 20 0 DHADMM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCc2sccc2C1 ZINC000517576773 600395975 /nfs/dbraw/zinc/39/59/75/600395975.db2.gz ZESMVEIHKILIKB-CQSZACIVSA-N -1 1 307.802 3.586 20 0 DHADMM CCOc1ccccc1[C@H](C)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737213196 600430715 /nfs/dbraw/zinc/43/07/15/600430715.db2.gz NATVCHJEYHOYNR-YVEFUNNKSA-N -1 1 317.360 3.701 20 0 DHADMM CC[C@@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1F ZINC000736919151 600453186 /nfs/dbraw/zinc/45/31/86/600453186.db2.gz FRXWIXPQDKSKMR-HZPDHXFCSA-N -1 1 323.314 3.971 20 0 DHADMM C[C@H]1SCCN(Cc2ccc(C(=O)[O-])o2)[C@@H]1c1ccccc1 ZINC000569130666 600489965 /nfs/dbraw/zinc/48/99/65/600489965.db2.gz WWGWRCBMXOSQHW-WBMJQRKESA-N -1 1 317.410 3.656 20 0 DHADMM Cc1ccc2oc(CN(CCC(=O)[O-])Cc3ccco3)cc2c1 ZINC000738309751 600623092 /nfs/dbraw/zinc/62/30/92/600623092.db2.gz ZQQACIHXPYKXSF-UHFFFAOYSA-N -1 1 313.353 3.811 20 0 DHADMM C[C@H](NCc1cccc(OCC(=O)[O-])c1)c1ccccc1Cl ZINC000736664206 600639803 /nfs/dbraw/zinc/63/98/03/600639803.db2.gz LIDDFBXYOINRGM-LBPRGKRZSA-N -1 1 319.788 3.654 20 0 DHADMM C[C@@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1cccc(Cl)c1 ZINC000827718714 600733158 /nfs/dbraw/zinc/73/31/58/600733158.db2.gz WWEIVUUUWXACHB-MEBBXXQBSA-N -1 1 307.752 3.956 20 0 DHADMM CCCOc1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000578479359 600738983 /nfs/dbraw/zinc/73/89/83/600738983.db2.gz JVXUILAQVGRHGV-KRWDZBQOSA-N -1 1 317.360 3.530 20 0 DHADMM O=C([O-])[C@H](N[C@@H]1CCc2c1cccc2Cl)c1ccccc1F ZINC000833168639 600742677 /nfs/dbraw/zinc/74/26/77/600742677.db2.gz YWRKHYUWOZKDFI-HZPDHXFCSA-N -1 1 319.763 3.882 20 0 DHADMM Cc1cccc(F)c1CN[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000832969614 600756592 /nfs/dbraw/zinc/75/65/92/600756592.db2.gz MQCNGGACRGHHQD-HNNXBMFYSA-N -1 1 307.752 3.703 20 0 DHADMM CN(Cc1cccc(Cl)c1)[C@H](C(=O)[O-])c1ccccc1F ZINC000830844532 600982827 /nfs/dbraw/zinc/98/28/27/600982827.db2.gz CAOJUBSKPVFZAV-HNNXBMFYSA-N -1 1 307.752 3.737 20 0 DHADMM C[C@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1F ZINC000736663203 601511199 /nfs/dbraw/zinc/51/11/99/601511199.db2.gz WURFBNXQSSNTED-BJOHPYRUSA-N -1 1 309.287 3.580 20 0 DHADMM COc1ccc(CN(C)Cc2cc(C(=O)[O-])sc2C)cc1F ZINC000316012788 601614734 /nfs/dbraw/zinc/61/47/34/601614734.db2.gz AGYPSINJMBRHHA-UHFFFAOYSA-N -1 1 323.389 3.534 20 0 DHADMM Cc1ccc2nc(SCc3ccsc3C(=O)[O-])[nH]c2c1 ZINC000110953702 601804948 /nfs/dbraw/zinc/80/49/48/601804948.db2.gz UPYZXRBNTMIRTG-UHFFFAOYSA-N -1 1 304.396 3.923 20 0 DHADMM COc1ccccc1CN(Cc1ccsc1C(=O)[O-])C1CC1 ZINC000577521948 601808479 /nfs/dbraw/zinc/80/84/79/601808479.db2.gz VDUOLXOXTNPNTE-UHFFFAOYSA-N -1 1 317.410 3.620 20 0 DHADMM CCN(CCC(=O)[O-])Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000570808408 602235125 /nfs/dbraw/zinc/23/51/25/602235125.db2.gz PUQDFFAIGLGSEP-UHFFFAOYSA-N -1 1 322.792 3.600 20 0 DHADMM C[C@H](NCc1ccc(NC(=O)[O-])nc1)c1cccc(Cl)c1 ZINC000825502766 603529562 /nfs/dbraw/zinc/52/95/62/603529562.db2.gz KQESQICATIWMCS-JTQLQIEISA-N -1 1 305.765 3.676 20 0 DHADMM Cc1ccc(C(=O)Nc2cccc(Cl)c2O)cc1NC(=O)[O-] ZINC000830234092 603613554 /nfs/dbraw/zinc/61/35/54/603613554.db2.gz MWGCXMMRZYWXJW-UHFFFAOYSA-N -1 1 320.732 3.696 20 0 DHADMM C[C@H](N[C@H]1CCCN(C(=O)[O-])C1)c1cc(Cl)sc1Cl ZINC000827718789 604289644 /nfs/dbraw/zinc/28/96/44/604289644.db2.gz YBXLPBDVYMNQDN-YUMQZZPRSA-N -1 1 323.245 3.848 20 0 DHADMM CCc1ccc(CN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)o1 ZINC000833670373 604640454 /nfs/dbraw/zinc/64/04/54/604640454.db2.gz NNELTMDWHFERCW-UHFFFAOYSA-N -1 1 323.339 3.597 20 0 DHADMM CN(C/C=C\Cl)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000830722669 604671030 /nfs/dbraw/zinc/67/10/30/604671030.db2.gz HBWYTSDYUMDMNQ-SROOVFNMSA-N -1 1 308.592 3.803 20 0 DHADMM CCN(c1ccc(NCc2ccoc2C(=O)[O-])cc1)C(C)C ZINC000833654722 604775661 /nfs/dbraw/zinc/77/56/61/604775661.db2.gz BYPPTKFMOIPZCA-UHFFFAOYSA-N -1 1 302.374 3.825 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN[C@@H](C)c1ccc(F)c(F)c1 ZINC000833681377 605063356 /nfs/dbraw/zinc/06/33/56/605063356.db2.gz ZMLKDVFBJQSYLP-VIFPVBQESA-N -1 1 309.312 3.669 20 0 DHADMM CC(C)Oc1cccc([C@@H](C)NCc2ccc(C(=O)[O-])o2)c1 ZINC000387701621 605067850 /nfs/dbraw/zinc/06/78/50/605067850.db2.gz MERRCIIRHQIWBS-GFCCVEGCSA-N -1 1 303.358 3.616 20 0 DHADMM O=C([O-])Nc1ccc2c(c1)CC[C@@H]2NCc1ccc(Cl)cn1 ZINC000834264070 605652672 /nfs/dbraw/zinc/65/26/72/605652672.db2.gz YZWBABIHTIJMGO-HNNXBMFYSA-N -1 1 317.776 3.602 20 0 DHADMM CC(C)CCOC1CCN(Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC000833484823 605829096 /nfs/dbraw/zinc/82/90/96/605829096.db2.gz WWAXRHGZTUDIDZ-UHFFFAOYSA-N -1 1 323.408 3.551 20 0 DHADMM CC[C@H](NCc1cc(C(=O)[O-])ccc1F)c1ccc(OC)cc1 ZINC000833644367 605844529 /nfs/dbraw/zinc/84/45/29/605844529.db2.gz OOHFZTDOCZUJGB-KRWDZBQOSA-N -1 1 317.360 3.773 20 0 DHADMM C(=Cc1ccc2ccccc2n1)c1ccc(-c2nn[n-]n2)s1 ZINC000819709861 606386770 /nfs/dbraw/zinc/38/67/70/606386770.db2.gz RWAFVIOSZRPYBX-BQYQJAHWSA-N -1 1 305.366 3.647 20 0 DHADMM CC(C)CCNc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000820076363 606445679 /nfs/dbraw/zinc/44/56/79/606445679.db2.gz IMMUVKMXHCDPSM-UHFFFAOYSA-N -1 1 324.388 3.512 20 0 DHADMM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2csc(C3CCCCC3)n2)C1 ZINC000263369984 950409939 /nfs/dbraw/zinc/40/99/39/950409939.db2.gz VCTQEHZTNHHCBA-GXTWGEPZSA-N -1 1 322.474 3.733 20 0 DHADMM O=C([O-])C[C@@H]1CCCN(Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000316758491 950890504 /nfs/dbraw/zinc/89/05/04/950890504.db2.gz KACINNNBNBAMRV-JTQLQIEISA-N -1 1 319.298 3.531 20 0 DHADMM CCOc1c(Cl)cccc1CNCc1cccc(C(=O)[O-])c1 ZINC001592009613 951293080 /nfs/dbraw/zinc/29/30/80/951293080.db2.gz ROGMMLTVCWCDPS-UHFFFAOYSA-N -1 1 319.788 3.727 20 0 DHADMM C[C@H]1CCN(Cc2ccc(Cl)cc2Cl)C[C@@H]1C(=O)[O-] ZINC000647368233 953954886 /nfs/dbraw/zinc/95/48/86/953954886.db2.gz LCMXEUIHQPLOGI-CABZTGNLSA-N -1 1 302.201 3.536 20 0 DHADMM C[C@H](c1ncc(C(C)(C)C)o1)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000652495671 954088448 /nfs/dbraw/zinc/08/84/48/954088448.db2.gz AQQCKGSMRUNGJY-OLZOCXBDSA-N -1 1 308.422 3.610 20 0 DHADMM O=C([O-])[C@H]1C[C@H](NCc2ccc(F)c(F)c2F)c2ccccc21 ZINC001594903982 954657560 /nfs/dbraw/zinc/65/75/60/954657560.db2.gz ZCOUAPHIXZBMMY-JSGCOSHPSA-N -1 1 321.298 3.507 20 0 DHADMM Cc1cccc([C@@H]2CCCCCN2C(=O)c2cncc([O-])c2)c1 ZINC000339950338 1013142688 /nfs/dbraw/zinc/14/26/88/1013142688.db2.gz GJEQUDNREQVNSX-SFHVURJKSA-N -1 1 310.397 3.853 20 0 DHADMM O=C([O-])C[C@@H]1CCCCN1Cc1cc(Cl)cc(Cl)c1 ZINC000086775250 957988307 /nfs/dbraw/zinc/98/83/07/957988307.db2.gz YQTYKGAHZQOHLU-ZDUSSCGKSA-N -1 1 302.201 3.823 20 0 DHADMM O=C([O-])CC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000093682109 958255986 /nfs/dbraw/zinc/25/59/86/958255986.db2.gz IAPAWSHUZVQBGW-UHFFFAOYSA-N -1 1 302.201 3.680 20 0 DHADMM C[C@@H](c1ccc(Cl)cc1)N(C)Cc1ccc(C(=O)[O-])cn1 ZINC000094762722 958310355 /nfs/dbraw/zinc/31/03/55/958310355.db2.gz UQVJUZLLTHSORN-NSHDSACASA-N -1 1 304.777 3.626 20 0 DHADMM CCc1cccc(F)c1CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001573960396 961681348 /nfs/dbraw/zinc/68/13/48/961681348.db2.gz GETORAAOSWJUMO-QGZVFWFLSA-N -1 1 313.372 3.572 20 0 DHADMM CC(C)C[C@@H](CN[C@H](CCc1ccccc1)C(F)F)C(=O)[O-] ZINC000263102781 962254741 /nfs/dbraw/zinc/25/47/41/962254741.db2.gz XBSJUFXEZIVHKM-LSDHHAIUSA-N -1 1 313.388 3.589 20 0 DHADMM COCc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1 ZINC000073632174 1013335224 /nfs/dbraw/zinc/33/52/24/1013335224.db2.gz WSCCYPDPMTYKSV-UHFFFAOYSA-N -1 1 319.426 3.757 20 0 DHADMM C[C@H]1CCCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000652366785 1013383747 /nfs/dbraw/zinc/38/37/47/1013383747.db2.gz PEDDFXLFXWGXCT-LBPRGKRZSA-N -1 1 316.426 3.740 20 0 DHADMM O=C(NCc1nc2ccccc2s1)c1c([O-])cccc1Cl ZINC000141313656 1013403584 /nfs/dbraw/zinc/40/35/84/1013403584.db2.gz WMIOXXABLTUMJP-UHFFFAOYSA-N -1 1 318.785 3.585 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1C[C@H]1c1c(F)cccc1F ZINC000340329076 1013497540 /nfs/dbraw/zinc/49/75/40/1013497540.db2.gz JDVXDCOBOCQERV-ZJUUUORDSA-N -1 1 307.271 3.552 20 0 DHADMM Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3[O-])cs2)o1 ZINC000340327977 1013498008 /nfs/dbraw/zinc/49/80/08/1013498008.db2.gz JMLWYVFBXXLBCX-UHFFFAOYSA-N -1 1 318.329 3.809 20 0 DHADMM O=C(CCSc1ccccc1F)Nc1ccc(F)cc1[O-] ZINC000340328744 1013498062 /nfs/dbraw/zinc/49/80/62/1013498062.db2.gz JKOCZTAJEXCJTR-UHFFFAOYSA-N -1 1 309.337 3.791 20 0 DHADMM CC(=O)c1cc(F)c([N-]C(=O)c2coc(C3CCC3)n2)c(F)c1 ZINC000683448400 1013561986 /nfs/dbraw/zinc/56/19/86/1013561986.db2.gz JXDFKGGTSIBYLL-UHFFFAOYSA-N -1 1 320.295 3.675 20 0 DHADMM CC(C)OC1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000530922765 1013673198 /nfs/dbraw/zinc/67/31/98/1013673198.db2.gz FIAYLNGEYOQXHW-UHFFFAOYSA-N -1 1 313.397 3.575 20 0 DHADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(F)cc1C(F)(F)F ZINC000263515594 967899124 /nfs/dbraw/zinc/89/91/24/967899124.db2.gz OPQPKFRBVZQMQU-KOLCDFICSA-N -1 1 319.298 3.530 20 0 DHADMM O=C([O-])CC[C@H]1CCCCN1Cc1csc(-c2ccoc2)n1 ZINC000424257669 968352801 /nfs/dbraw/zinc/35/28/01/968352801.db2.gz KTDSUDDAZJBLHC-CQSZACIVSA-N -1 1 320.414 3.622 20 0 DHADMM CC(C)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC001137572601 1013826900 /nfs/dbraw/zinc/82/69/00/1013826900.db2.gz AOKYIEVBXIDASC-GFCCVEGCSA-N -1 1 317.216 3.510 20 0 DHADMM Cc1cc(C(=O)Nc2ccc(Cl)cc2[O-])nn1C(C)(C)C ZINC000331245930 1013869121 /nfs/dbraw/zinc/86/91/21/1013869121.db2.gz UTEPDTRMVUYISY-UHFFFAOYSA-N -1 1 307.781 3.558 20 0 DHADMM Cc1cc2cc(N)cnc2n1-c1cc(Cl)c([O-])c(Cl)c1 ZINC001210924978 1014088288 /nfs/dbraw/zinc/08/82/88/1014088288.db2.gz ZQTMDKYEZCKNLZ-UHFFFAOYSA-N -1 1 308.168 3.929 20 0 DHADMM COc1cc([N-]S(=O)(=O)c2cccc(F)c2C)c(C)cc1C ZINC000478702493 1033554498 /nfs/dbraw/zinc/55/44/98/1033554498.db2.gz QLCHTEWFVKQHLB-UHFFFAOYSA-N -1 1 323.389 3.560 20 0 DHADMM O=C([O-])c1ccc(CN[C@H](c2ccccc2)c2cccnc2)s1 ZINC001606491191 973976046 /nfs/dbraw/zinc/97/60/46/973976046.db2.gz QTSFVWPLPZIRKG-QGZVFWFLSA-N -1 1 324.405 3.721 20 0 DHADMM O=C([O-])c1cccc(CN[C@@H](c2ncc[nH]2)C2CCCCC2)c1 ZINC001606513523 974007498 /nfs/dbraw/zinc/00/74/98/974007498.db2.gz MVKKVNGDQYUIEL-MRXNPFEDSA-N -1 1 313.401 3.519 20 0 DHADMM C[C@@H]1CC(F)(F)CCN1Cc1c(Cl)cccc1C(=O)[O-] ZINC000530171477 974361806 /nfs/dbraw/zinc/36/18/06/974361806.db2.gz ACRRGTHXAKOTGT-SECBINFHSA-N -1 1 303.736 3.658 20 0 DHADMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000563284748 974528991 /nfs/dbraw/zinc/52/89/91/974528991.db2.gz YWVLMVGFZIOEEM-JOYOIKCWSA-N -1 1 319.323 3.949 20 0 DHADMM Cc1cc([C@@H](C)N2CCC(C(F)(F)F)CC2)oc1C(=O)[O-] ZINC000567742844 974640921 /nfs/dbraw/zinc/64/09/21/974640921.db2.gz XRHXTLMLYQTOPW-SECBINFHSA-N -1 1 305.296 3.622 20 0 DHADMM CC(C)C[C@@H](C(=O)[O-])N1CCC[C@H]1c1nc2ccccc2s1 ZINC000568991984 974681732 /nfs/dbraw/zinc/68/17/32/974681732.db2.gz YYDHNNKWEFWGLA-KBPBESRZSA-N -1 1 318.442 3.933 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CN(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000574525958 974784215 /nfs/dbraw/zinc/78/42/15/974784215.db2.gz WKXNFVMRSXOWSC-SECBINFHSA-N -1 1 309.312 3.757 20 0 DHADMM C[C@H]1CCSCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000190027860 1014230398 /nfs/dbraw/zinc/23/03/98/1014230398.db2.gz DMSDXMNNDHUOFG-LBPRGKRZSA-N -1 1 301.411 3.513 20 0 DHADMM O=C([O-])[C@H](c1c(F)cccc1Cl)N1CCCC(F)(F)CC1 ZINC000629367983 975085220 /nfs/dbraw/zinc/08/52/20/975085220.db2.gz GOECUKMZUSONPP-LBPRGKRZSA-N -1 1 321.726 3.726 20 0 DHADMM CCc1cccc2cc(CN[C@H](CC(C)(C)C)C(=O)[O-])oc21 ZINC000656574445 975663561 /nfs/dbraw/zinc/66/35/61/975663561.db2.gz VMFBJTPBZFXBFL-OAHLLOKOSA-N -1 1 303.402 3.974 20 0 DHADMM CCc1nc(CNCc2ccc(C3CCC3)cc2)ccc1C(=O)[O-] ZINC000417569346 1014336453 /nfs/dbraw/zinc/33/64/53/1014336453.db2.gz QSHAVWPHMPICOB-UHFFFAOYSA-N -1 1 324.424 3.900 20 0 DHADMM CC(C)c1nc(CSc2cc(Cl)ccc2C(=O)[O-])n[nH]1 ZINC001592021968 976717221 /nfs/dbraw/zinc/71/72/21/976717221.db2.gz JNVOFIQFDPGDPZ-UHFFFAOYSA-N -1 1 311.794 3.572 20 0 DHADMM CNC(=O)c1ccc2cc(-c3cc(F)c([O-])cc3F)ccc2c1 ZINC001211353509 1014370383 /nfs/dbraw/zinc/37/03/83/1014370383.db2.gz XDCBEGDPMZAKGV-UHFFFAOYSA-N -1 1 313.303 3.850 20 0 DHADMM C[C@H](CN(Cc1ccc(F)c(Cl)c1Cl)C1CC1)C(=O)[O-] ZINC001592598593 978531062 /nfs/dbraw/zinc/53/10/62/978531062.db2.gz GWBPMJCQBVSQIO-MRVPVSSYSA-N -1 1 320.191 3.818 20 0 DHADMM O=C([O-])Cc1ccccc1CN1CCc2c(Cl)cccc2C1 ZINC000846245062 979422676 /nfs/dbraw/zinc/42/26/76/979422676.db2.gz CKAHDRBMJKVPCR-UHFFFAOYSA-N -1 1 315.800 3.525 20 0 DHADMM CC(C)c1ncc(CN(CCC(=O)[O-])Cc2ccccc2)s1 ZINC000901561630 980382719 /nfs/dbraw/zinc/38/27/19/980382719.db2.gz QUPQESLTNILASN-UHFFFAOYSA-N -1 1 318.442 3.743 20 0 DHADMM CC[C@@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccc(C)cc1 ZINC001595299841 980431324 /nfs/dbraw/zinc/43/13/24/980431324.db2.gz HOSVPQQKVXCSHV-OAHLLOKOSA-N -1 1 318.804 3.983 20 0 DHADMM CC[C@@H](NCc1cccc(C(=O)[O-])c1)c1cc(F)ccc1F ZINC001595299857 980431461 /nfs/dbraw/zinc/43/14/61/980431461.db2.gz HTISPGXKCWOUCJ-MRXNPFEDSA-N -1 1 305.324 3.904 20 0 DHADMM CCCCC[C@@H](NCc1cc2cc(OC)ccc2o1)C(=O)[O-] ZINC000901724315 980466140 /nfs/dbraw/zinc/46/61/40/980466140.db2.gz BAYLOJLOKYPGPQ-OAHLLOKOSA-N -1 1 305.374 3.565 20 0 DHADMM Cc1cc(CNCc2c(C)cc(Cl)cc2C)oc1C(=O)[O-] ZINC000901941220 980642133 /nfs/dbraw/zinc/64/21/33/980642133.db2.gz ILZMCHMUDQBBHH-UHFFFAOYSA-N -1 1 307.777 3.846 20 0 DHADMM CC(C)Oc1ccccc1CNCc1cc(C(=O)[O-])cs1 ZINC000902097615 980731935 /nfs/dbraw/zinc/73/19/35/980731935.db2.gz LDZRMZLLELZQLS-UHFFFAOYSA-N -1 1 305.399 3.523 20 0 DHADMM O=C([O-])c1ccccc1-c1ccc(CNCCC(F)(F)F)o1 ZINC000902098201 980733091 /nfs/dbraw/zinc/73/30/91/980733091.db2.gz NOAIYKJRRNXFRS-UHFFFAOYSA-N -1 1 313.275 3.687 20 0 DHADMM COc1ccc([C@H](NCc2cc(C)c(C(=O)[O-])o2)C2CC2)cc1 ZINC000902130582 980750173 /nfs/dbraw/zinc/75/01/73/980750173.db2.gz QHARZNKEXXSCRZ-MRXNPFEDSA-N -1 1 315.369 3.536 20 0 DHADMM CC[C@](C)(NCc1cc(C(=O)[O-])cs1)c1nc(C)cs1 ZINC000902294267 980820848 /nfs/dbraw/zinc/82/08/48/980820848.db2.gz WAMAUYKICWRGDW-AWEZNQCLSA-N -1 1 310.444 3.626 20 0 DHADMM Cc1cccc2c1CCC[C@@H]2NCc1ccc(/C=C/C(=O)[O-])o1 ZINC000902464006 980899594 /nfs/dbraw/zinc/89/95/94/980899594.db2.gz FDPBLEOIJLEISU-ZGKFYVQTSA-N -1 1 311.381 3.853 20 0 DHADMM Cc1cccc2c1CCC[C@H]2NCc1ccc(/C=C/C(=O)[O-])o1 ZINC000902463991 980899978 /nfs/dbraw/zinc/89/99/78/980899978.db2.gz FDPBLEOIJLEISU-DOJUMQAQSA-N -1 1 311.381 3.853 20 0 DHADMM COc1ccc(C2CC2)cc1CNCc1cc(C(=O)[O-])cs1 ZINC000902506179 980913341 /nfs/dbraw/zinc/91/33/41/980913341.db2.gz OYONBYVPYGMPFA-UHFFFAOYSA-N -1 1 317.410 3.622 20 0 DHADMM CC[C@H](NCc1ccc(C(=O)[O-])cc1)c1cc(F)ccc1OC ZINC000902571837 980938700 /nfs/dbraw/zinc/93/87/00/980938700.db2.gz GTGLZPGEBNJZRB-INIZCTEOSA-N -1 1 317.360 3.773 20 0 DHADMM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CCC[C@@H](CF)C1 ZINC000903608080 980989107 /nfs/dbraw/zinc/98/91/07/980989107.db2.gz RKKPVAZPVTYHFB-ZANVPECISA-N -1 1 320.191 3.801 20 0 DHADMM Cc1cc(C)cc(C2=CCN(Cc3cncc(C(=O)[O-])c3)CC2)c1 ZINC000903897225 981026869 /nfs/dbraw/zinc/02/68/69/981026869.db2.gz YKLNJEDBSCXBPX-UHFFFAOYSA-N -1 1 322.408 3.686 20 0 DHADMM CCN(CCC(=O)[O-])Cc1nc2c(s1)C(C)(C)CC(C)(C)C2 ZINC000903900790 981027968 /nfs/dbraw/zinc/02/79/68/981027968.db2.gz SFZFOUXNTXLZBA-UHFFFAOYSA-N -1 1 324.490 3.690 20 0 DHADMM CCC[C@H](NCc1ccc(C(=O)[O-])c(F)c1)c1ccccn1 ZINC001595600427 981580531 /nfs/dbraw/zinc/58/05/31/981580531.db2.gz KYVMPCFXRKAVSY-HNNXBMFYSA-N -1 1 302.349 3.550 20 0 DHADMM COc1cc(C(=O)N2CCC[C@H](C(C)C)C2)cc(Cl)c1[O-] ZINC000442932087 1014772877 /nfs/dbraw/zinc/77/28/77/1014772877.db2.gz LCKNYKPESLFXGG-NSHDSACASA-N -1 1 311.809 3.562 20 0 DHADMM CC[C@H](C)[C@@H](C(=O)[O-])N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC001594874776 982204975 /nfs/dbraw/zinc/20/49/75/982204975.db2.gz YJDCFHJLNNEKTB-ZBEGNZNMSA-N -1 1 320.820 3.610 20 0 DHADMM CCCc1ccc(CN2CCc3ccc(C(=O)[O-])cc3C2)s1 ZINC001596062874 983372984 /nfs/dbraw/zinc/37/29/84/983372984.db2.gz LRAKJILVHNCNGR-UHFFFAOYSA-N -1 1 315.438 3.957 20 0 DHADMM CCN([C@H](C)c1ncc(C(=O)[O-])s1)[C@@H](C)Cc1ccsc1 ZINC001596177921 983547193 /nfs/dbraw/zinc/54/71/93/983547193.db2.gz JPJJPZQPJUBBTI-WDEREUQCSA-N -1 1 324.471 3.917 20 0 DHADMM CCN(Cc1ccc(C(=O)[O-])c(F)c1)[C@@H](C)c1cccnc1 ZINC001596357602 983829440 /nfs/dbraw/zinc/82/94/40/983829440.db2.gz KOPWPKZYPGRPPZ-LBPRGKRZSA-N -1 1 302.349 3.502 20 0 DHADMM CCN(Cc1ccccc1C)Cn1ncc2cc(C(=O)[O-])ccc21 ZINC001596371865 983873669 /nfs/dbraw/zinc/87/36/69/983873669.db2.gz QELLXLVUVOQTMP-UHFFFAOYSA-N -1 1 323.396 3.523 20 0 DHADMM CCN(C(=O)c1cc(F)ccc1[O-])[C@@H](C)c1cccc(OC)c1 ZINC000093963590 1014993383 /nfs/dbraw/zinc/99/33/83/1014993383.db2.gz IVEJRAOJUHAEAC-LBPRGKRZSA-N -1 1 317.360 3.763 20 0 DHADMM Cc1ccccc1OCCCNC(=O)c1c([O-])cccc1Cl ZINC000729539790 1015128135 /nfs/dbraw/zinc/12/81/35/1015128135.db2.gz ZPPBLJKKRFZSJB-UHFFFAOYSA-N -1 1 319.788 3.553 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@@H]2CCCC[C@@H]21 ZINC000581668386 1015184813 /nfs/dbraw/zinc/18/48/13/1015184813.db2.gz HKLBETSPNIIIKH-GWCFXTLKSA-N -1 1 313.319 3.816 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)c1cc2c(ccnc2Cl)o1 ZINC001141833949 1015266540 /nfs/dbraw/zinc/26/65/40/1015266540.db2.gz QCWDJBDUVWGRGB-UHFFFAOYSA-N -1 1 324.670 3.717 20 0 DHADMM CCOc1ccccc1[C@H](CC)NCc1occc1C(=O)[O-] ZINC001597173049 987011500 /nfs/dbraw/zinc/01/15/00/987011500.db2.gz MXIUVCNOMBNVHI-AWEZNQCLSA-N -1 1 303.358 3.617 20 0 DHADMM COc1ccc(-c2noc([N-][C@@H](c3ccccn3)C3CC3)n2)cc1 ZINC000895795786 1015307625 /nfs/dbraw/zinc/30/76/25/1015307625.db2.gz HMFIACVRRIMONW-MRXNPFEDSA-N -1 1 322.368 3.703 20 0 DHADMM O=S(=O)([N-]c1ccc(F)cc1Cl)c1cc(F)ccc1F ZINC000008105768 1015308147 /nfs/dbraw/zinc/30/81/47/1015308147.db2.gz VEXXNUVODYBQPO-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM CCc1[nH]c(CNC(C)(C)c2ccc(F)cc2F)cc1C(=O)[O-] ZINC001597392581 987625709 /nfs/dbraw/zinc/62/57/09/987625709.db2.gz UEAVDZRXKTYCNO-UHFFFAOYSA-N -1 1 322.355 3.578 20 0 DHADMM CCc1ccc([C@@H]2C[C@@H](C)CCN2Cc2ccc(C(=O)[O-])[nH]2)o1 ZINC001597518328 988136750 /nfs/dbraw/zinc/13/67/50/988136750.db2.gz SOXHEKPAQJXIPB-LRDDRELGSA-N -1 1 316.401 3.842 20 0 DHADMM CCc1ccc2ccccc2c1CNCc1cc(C(=O)[O-])co1 ZINC001597570695 988349290 /nfs/dbraw/zinc/34/92/90/988349290.db2.gz YUWGMUACGMIMCS-UHFFFAOYSA-N -1 1 309.365 3.983 20 0 DHADMM CC[C@](C)(NC(=O)Nc1ccc([O-])c(Cl)c1)C(F)(F)F ZINC000933520070 1015392722 /nfs/dbraw/zinc/39/27/22/1015392722.db2.gz VRTAYYIYVIMBGS-NSHDSACASA-N -1 1 310.703 3.898 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN1CCc2ccsc2[C@H]1C ZINC001597766268 989210820 /nfs/dbraw/zinc/21/08/20/989210820.db2.gz IJSKHMUUDJIGIP-SNVBAGLBSA-N -1 1 305.399 3.721 20 0 DHADMM CCc1oc(CN(CC)[C@H](C)c2cccc(O)c2)cc1C(=O)[O-] ZINC001597792713 989334789 /nfs/dbraw/zinc/33/47/89/989334789.db2.gz GZSJRJNELGHGPL-GFCCVEGCSA-N -1 1 317.385 3.829 20 0 DHADMM CCc1oc(CN(C)Cc2cccc(C)c2C)cc1C(=O)[O-] ZINC001597792933 989337152 /nfs/dbraw/zinc/33/71/52/989337152.db2.gz MLNQWMQURZFULN-UHFFFAOYSA-N -1 1 301.386 3.789 20 0 DHADMM CC(C)C[N@@H+](Cc1oncc1C(=O)[O-])Cc1cccc(Cl)c1 ZINC001591343959 992327080 /nfs/dbraw/zinc/32/70/80/992327080.db2.gz JUJKUXWBWRCGTK-UHFFFAOYSA-N -1 1 322.792 3.684 20 0 DHADMM CC(C)CN(Cc1oncc1C(=O)[O-])Cc1cccc(Cl)c1 ZINC001591343959 992327086 /nfs/dbraw/zinc/32/70/86/992327086.db2.gz JUJKUXWBWRCGTK-UHFFFAOYSA-N -1 1 322.792 3.684 20 0 DHADMM CC(C)Cc1ccc(CN(C)Cc2ccc(C(=O)[O-])cc2)cn1 ZINC001591483811 992605743 /nfs/dbraw/zinc/60/57/43/992605743.db2.gz MHFSTBMSIUJICB-UHFFFAOYSA-N -1 1 312.413 3.610 20 0 DHADMM CN(Cc1[nH]cc(C(=O)[O-])c1C1CC1)Cc1ccc(Cl)cc1 ZINC001598517503 992635120 /nfs/dbraw/zinc/63/51/20/992635120.db2.gz AAPXRURAGKQSEK-UHFFFAOYSA-N -1 1 318.804 3.876 20 0 DHADMM Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)[N-]OCc1ccccn1 ZINC000909539619 1015782909 /nfs/dbraw/zinc/78/29/09/1015782909.db2.gz GGMSSYKZGRLKTD-GJZGRUSLSA-N -1 1 310.397 3.619 20 0 DHADMM COc1ccc(F)cc1[C@@H](C)NCc1ccc(C(=O)[O-])c(C)c1 ZINC001599582396 993569470 /nfs/dbraw/zinc/56/94/70/993569470.db2.gz AEEBYKOTZCJYTN-GFCCVEGCSA-N -1 1 317.360 3.692 20 0 DHADMM C[C@H](N[C@@H]1CCCc2ccc(C(=O)[O-])cc21)c1ccns1 ZINC001593219005 994293227 /nfs/dbraw/zinc/29/32/27/994293227.db2.gz LNRFPNHVPXXNBU-IINYFYTJSA-N -1 1 302.399 3.570 20 0 DHADMM CCc1c(NC(=O)c2ccc([O-])cc2F)cnn1CCC(C)C ZINC000277024564 1015853161 /nfs/dbraw/zinc/85/31/61/1015853161.db2.gz GAXLHSJYSHHFRQ-UHFFFAOYSA-N -1 1 319.380 3.589 20 0 DHADMM C[C@@H](N[C@@H]1CCSc2ccccc21)c1cc(C(=O)[O-])co1 ZINC001593231310 994372625 /nfs/dbraw/zinc/37/26/25/994372625.db2.gz JEKARSAJEHRXSM-ZWNOBZJWSA-N -1 1 303.383 3.866 20 0 DHADMM CCOc1cc(-c2noc(/C=C(/C)COC)n2)cc(Cl)c1[O-] ZINC000650588704 1015976891 /nfs/dbraw/zinc/97/68/91/1015976891.db2.gz HOPPTGUJMIXCKE-UITAMQMPSA-N -1 1 324.764 3.544 20 0 DHADMM C[C@@H](c1ccc(F)c(Cl)c1)N(C)Cc1ccc(C(=O)[O-])cn1 ZINC001593694202 996148654 /nfs/dbraw/zinc/14/86/54/996148654.db2.gz UUAAUECPMAWSCM-JTQLQIEISA-N -1 1 322.767 3.765 20 0 DHADMM C[C@H](c1ncc(C(=O)[O-])s1)N1CCC(c2ccccc2)CC1 ZINC001593732515 996313297 /nfs/dbraw/zinc/31/32/97/996313297.db2.gz VZYJZTDPMAFXDN-GFCCVEGCSA-N -1 1 316.426 3.782 20 0 DHADMM COc1ccc(C(=O)[O-])cc1CN[C@@H](C)c1cc(C)sc1C ZINC001599500194 997103382 /nfs/dbraw/zinc/10/33/82/997103382.db2.gz GKZOSIMGZIBEIN-NSHDSACASA-N -1 1 319.426 3.923 20 0 DHADMM CCc1cc(=O)[n-]c(SC[C@H](C)c2ccc(OC)cc2)n1 ZINC000657257612 1016120730 /nfs/dbraw/zinc/12/07/30/1016120730.db2.gz WGXOZWNUSSQUPJ-NSHDSACASA-N -1 1 304.415 3.649 20 0 DHADMM C[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001594175311 998672028 /nfs/dbraw/zinc/67/20/28/998672028.db2.gz WIMGCIJYGFNONR-VVNZAOIASA-N -1 1 317.307 3.540 20 0 DHADMM C[C@H]1C[C@H](C(F)(F)F)CCN1Cc1csc(C(=O)[O-])c1 ZINC001594213951 998824803 /nfs/dbraw/zinc/82/48/03/998824803.db2.gz HCKLGANNXZONPY-WCBMZHEXSA-N -1 1 307.337 3.609 20 0 DHADMM C[C@H]1C[C@H](c2ccccc2F)N(Cc2cncc(C(=O)[O-])c2)C1 ZINC001594268889 999039448 /nfs/dbraw/zinc/03/94/48/999039448.db2.gz CLNKPXFAXSLELU-YVEFUNNKSA-N -1 1 314.360 3.502 20 0 DHADMM CO[C@@H](CN[C@H](C)c1cc(C(=O)[O-])co1)c1ccccc1Cl ZINC001599054631 999220745 /nfs/dbraw/zinc/22/07/45/999220745.db2.gz XNKWJWRSCKZJRA-BMIGLBTASA-N -1 1 323.776 3.670 20 0 DHADMM CCc1cnc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])s1 ZINC000622398537 1016389858 /nfs/dbraw/zinc/38/98/58/1016389858.db2.gz BGKYFHCSZCOUSC-UHFFFAOYSA-N -1 1 316.304 3.682 20 0 DHADMM CC(C)N(C)c1ccccc1NC(=O)c1cc(F)ccc1[O-] ZINC000622579706 1016468182 /nfs/dbraw/zinc/46/81/82/1016468182.db2.gz QFLZOBRGWARBMM-UHFFFAOYSA-N -1 1 302.349 3.628 20 0 DHADMM CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1ccc(C(=O)[O-])cc1F ZINC000563283311 1016500489 /nfs/dbraw/zinc/50/04/89/1016500489.db2.gz XUCUDMDTIVIRLE-HZPDHXFCSA-N -1 1 323.408 3.549 20 0 DHADMM O=C(NC1(c2cccc(Cl)c2)CCC1)c1c([O-])cccc1F ZINC000622738462 1016544832 /nfs/dbraw/zinc/54/48/32/1016544832.db2.gz SLOIBHRFZNJRQS-UHFFFAOYSA-N -1 1 319.763 3.994 20 0 DHADMM O=C(Cc1ccc2c(c1)CCC2)Nc1ccc([O-])c(Cl)c1 ZINC000171881282 1016611444 /nfs/dbraw/zinc/61/14/44/1016611444.db2.gz UBPMHBAPVMWGKH-UHFFFAOYSA-N -1 1 301.773 3.716 20 0 DHADMM C[C@@H](c1cccnc1)N(C)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684872199 1016755630 /nfs/dbraw/zinc/75/56/30/1016755630.db2.gz RWVAUSYLOLPZAR-JTQLQIEISA-N -1 1 324.302 3.639 20 0 DHADMM COCC[C@H]1CCCCN1Cc1cc(Cl)c([O-])cc1F ZINC001238147693 1016769691 /nfs/dbraw/zinc/76/96/91/1016769691.db2.gz AHZUKLGFMWNNEJ-GFCCVEGCSA-N -1 1 301.789 3.576 20 0 DHADMM COc1cc(NC(=O)c2cc3ccccc3cc2[O-])ccc1F ZINC000323571970 1016782688 /nfs/dbraw/zinc/78/26/88/1016782688.db2.gz SWSXWKYHIXYGPE-UHFFFAOYSA-N -1 1 311.312 3.945 20 0 DHADMM CC[C@@H]1CO[C@@H](CC)CN1C(=O)c1ccc2ccccc2c1[O-] ZINC000403811434 1017058153 /nfs/dbraw/zinc/05/81/53/1017058153.db2.gz HKQLRIANIKCCJO-CABCVRRESA-N -1 1 313.397 3.575 20 0 DHADMM Cc1noc(C2CC2)c1[N-]C(=O)c1ccoc1C(F)(F)F ZINC000362056734 1032213913 /nfs/dbraw/zinc/21/39/13/1032213913.db2.gz JKMWGJNZWASALZ-UHFFFAOYSA-N -1 1 300.236 3.725 20 0 DHADMM Cc1ccc2c(c1)N(C(=O)Cc1ccc([O-])c(Cl)c1)CCC2 ZINC001146308299 1032216424 /nfs/dbraw/zinc/21/64/24/1032216424.db2.gz SBJBIAHHUSRACX-UHFFFAOYSA-N -1 1 315.800 3.876 20 0 DHADMM CC[C@H](Cc1cccc(C)c1)C(=O)[N-]Oc1ccc(F)cc1 ZINC001146550469 1032228773 /nfs/dbraw/zinc/22/87/73/1032228773.db2.gz IPTQSSXBKQNWGY-OAHLLOKOSA-N -1 1 301.361 3.813 20 0 DHADMM C[C@@H]1[C@H](C)SCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000118287776 1032241779 /nfs/dbraw/zinc/24/17/79/1032241779.db2.gz JJJMWAUMXJCHTO-NEPJUHHUSA-N -1 1 301.411 3.511 20 0 DHADMM COC(=O)c1oc2cccc(Cl)c2c1[N-]C(=O)c1ccco1 ZINC001147082512 1032275417 /nfs/dbraw/zinc/27/54/17/1032275417.db2.gz HIRVOQFCAIQZHO-UHFFFAOYSA-N -1 1 319.700 3.718 20 0 DHADMM CC1(C)CN(C(=O)c2cc(F)ccc2[O-])C[C@@H]1c1ccccc1 ZINC000119369922 1032284093 /nfs/dbraw/zinc/28/40/93/1032284093.db2.gz ASRKUXYZNGPUKP-MRXNPFEDSA-N -1 1 313.372 3.797 20 0 DHADMM O=C(Nc1ccc2c(c1)OCCO2)c1cc2ccccc2cc1[O-] ZINC000057612072 1032304297 /nfs/dbraw/zinc/30/42/97/1032304297.db2.gz LLBHLARKTUNEIR-UHFFFAOYSA-N -1 1 321.332 3.569 20 0 DHADMM Cc1ccc(CN(C(=O)c2cccc([O-])c2F)C2CC2)cc1C ZINC001147632352 1032328169 /nfs/dbraw/zinc/32/81/69/1032328169.db2.gz FQMYMZYDYNDDSQ-UHFFFAOYSA-N -1 1 313.372 3.953 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCc2ccc(F)cc21 ZINC000058740799 1032389667 /nfs/dbraw/zinc/38/96/67/1032389667.db2.gz WYTQRLPMGRBPSR-UHFFFAOYSA-N -1 1 307.324 3.887 20 0 DHADMM O=C(Nc1ccccc1CO)c1cccc(-c2ccccc2)c1[O-] ZINC001148869582 1032449179 /nfs/dbraw/zinc/44/91/79/1032449179.db2.gz KJEPVIPRIRURGE-UHFFFAOYSA-N -1 1 319.360 3.804 20 0 DHADMM Cc1cnc(NC(=O)c2cccc(-c3ccccc3)c2[O-])nc1C ZINC001148861075 1032449022 /nfs/dbraw/zinc/44/90/22/1032449022.db2.gz JRNUEKJDLNYNIA-UHFFFAOYSA-N -1 1 319.364 3.718 20 0 DHADMM CSc1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)ccn1 ZINC000683078737 1011929667 /nfs/dbraw/zinc/92/96/67/1011929667.db2.gz IAQFLXPXEWGLDC-UHFFFAOYSA-N -1 1 309.778 3.807 20 0 DHADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(OCC(C)C)c2)c1 ZINC000515632279 1012681539 /nfs/dbraw/zinc/68/15/39/1012681539.db2.gz SJUFGBUMXYASPE-UHFFFAOYSA-N -1 1 319.426 3.831 20 0 DHADMM Cc1ccccc1S(=O)(=O)[N-]c1cc2[nH]ccc2cc1C ZINC000436154543 1012683110 /nfs/dbraw/zinc/68/31/10/1012683110.db2.gz RHZASYIREIDFPN-UHFFFAOYSA-N -1 1 300.383 3.586 20 0 DHADMM CC[C@H]1CC[C@H](C)[N@H+]1Cc1nc2cc(C(=O)[O-])ccc2n1CC ZINC000516873010 1012852529 /nfs/dbraw/zinc/85/25/29/1012852529.db2.gz YJLXMLMKZOUOAY-JSGCOSHPSA-N -1 1 315.417 3.517 20 0 DHADMM O=C(Nc1ccc(-c2cnc(C3CC3)o2)cc1)c1cncc([O-])c1 ZINC000339883011 1012993323 /nfs/dbraw/zinc/99/33/23/1012993323.db2.gz ZMHHEINKVCKUEW-UHFFFAOYSA-N -1 1 321.336 3.572 20 0 DHADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC[C@@H]1C1CCCC1 ZINC001142018945 1017213618 /nfs/dbraw/zinc/21/36/18/1017213618.db2.gz CJOPBEILAHADPF-OAHLLOKOSA-N -1 1 307.821 3.769 20 0 DHADMM CCOc1cc(-c2nc(-c3cncs3)no2)cc(Cl)c1[O-] ZINC000350910859 1017364888 /nfs/dbraw/zinc/36/48/88/1017364888.db2.gz PBBVCFUUYBJEDP-UHFFFAOYSA-N -1 1 323.761 3.618 20 0 DHADMM CCOC1(CNC(=O)c2cc3ccccc3cc2[O-])CCCC1 ZINC000323840428 1017375725 /nfs/dbraw/zinc/37/57/25/1017375725.db2.gz DDAUICUXEHFDKR-UHFFFAOYSA-N -1 1 313.397 3.625 20 0 DHADMM CCOc1cc(-c2noc(-c3cscn3)n2)cc(Cl)c1[O-] ZINC000445409104 1017849304 /nfs/dbraw/zinc/84/93/04/1017849304.db2.gz QZGMFMMSVUDSKY-UHFFFAOYSA-N -1 1 323.761 3.618 20 0 DHADMM [O-]c1ccc(-c2noc([C@@H](F)Cc3ccccc3)n2)c(F)c1 ZINC000445465484 1017864581 /nfs/dbraw/zinc/86/45/81/1017864581.db2.gz YTIQEYPHGMAOLZ-AWEZNQCLSA-N -1 1 302.280 3.835 20 0 DHADMM CSc1ccccc1Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000445464878 1017865093 /nfs/dbraw/zinc/86/50/93/1017865093.db2.gz VZTCHOWGWNNKKN-UHFFFAOYSA-N -1 1 316.357 3.894 20 0 DHADMM C[C@@H](COc1ccccc1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445480858 1017874488 /nfs/dbraw/zinc/87/44/88/1017874488.db2.gz LDDGESJOEAEDNJ-NSHDSACASA-N -1 1 314.316 3.764 20 0 DHADMM CSc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445479316 1017874756 /nfs/dbraw/zinc/87/47/56/1017874756.db2.gz VKHBOUQZZJNPCL-UHFFFAOYSA-N -1 1 302.330 3.970 20 0 DHADMM Cn1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)c2ccccc21 ZINC000445477363 1017875899 /nfs/dbraw/zinc/87/58/99/1017875899.db2.gz NNUMOLJJDXKOSU-UHFFFAOYSA-N -1 1 309.300 3.740 20 0 DHADMM CCCN1C(=O)c2ccccc2N[C@H]1c1cc(F)c([O-])c(F)c1 ZINC000674239880 1017906169 /nfs/dbraw/zinc/90/61/69/1017906169.db2.gz WGZUVRPARSHVFZ-MRXNPFEDSA-N -1 1 318.323 3.647 20 0 DHADMM CC(C)CC(C)(C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000343012531 1017988494 /nfs/dbraw/zinc/98/84/94/1017988494.db2.gz LEMJBEQSCKSNHF-UHFFFAOYSA-N -1 1 301.390 3.793 20 0 DHADMM COc1cc(C(=O)N2CC[C@H](CC(C)C)C2)cc(Cl)c1[O-] ZINC000153929626 1018082762 /nfs/dbraw/zinc/08/27/62/1018082762.db2.gz XOLYKRYEXKIDJK-LLVKDONJSA-N -1 1 311.809 3.562 20 0 DHADMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000524814119 1018099199 /nfs/dbraw/zinc/09/91/99/1018099199.db2.gz ZWSNDHHQSDWFJS-UHFFFAOYSA-N -1 1 312.394 3.652 20 0 DHADMM Cc1cccc(CC2CN(C(=O)c3cc(Cl)ccc3[O-])C2)c1 ZINC000674746510 1018121256 /nfs/dbraw/zinc/12/12/56/1018121256.db2.gz RHSVDQUHIOPGGI-UHFFFAOYSA-N -1 1 315.800 3.669 20 0 DHADMM CCOC(=O)Cc1ccc(Nc2ccc(F)c(F)c2[O-])cc1 ZINC001212522620 1018158469 /nfs/dbraw/zinc/15/84/69/1018158469.db2.gz XVMLRQRPYQBJJI-UHFFFAOYSA-N -1 1 307.296 3.520 20 0 DHADMM CCOC(=O)Cc1cccc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001212527718 1018232915 /nfs/dbraw/zinc/23/29/15/1018232915.db2.gz GCRYJQUOLZQMAM-UHFFFAOYSA-N -1 1 307.296 3.520 20 0 DHADMM Cc1ccc2[nH]cc(CCC(=O)Nc3c([O-])cccc3F)c2c1 ZINC000074824865 1018360671 /nfs/dbraw/zinc/36/06/71/1018360671.db2.gz VVNSEGFSXLQXLI-UHFFFAOYSA-N -1 1 312.344 3.892 20 0 DHADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)c1 ZINC000525956876 1018407069 /nfs/dbraw/zinc/40/70/69/1018407069.db2.gz NJMYVNRODHANIO-UHFFFAOYSA-N -1 1 314.410 3.596 20 0 DHADMM COc1cc(-c2ccccc2)ccc1C=C1SC(=O)[N-]C1=O ZINC000874928495 1032765007 /nfs/dbraw/zinc/76/50/07/1032765007.db2.gz OALUHIUFJVSEJO-GDNBJRDFSA-N -1 1 311.362 3.686 20 0 DHADMM Cc1ccc([C@]2(C)CCN(C(=O)c3cc(F)ccc3[O-])C2)cc1 ZINC000447697406 1018458177 /nfs/dbraw/zinc/45/81/77/1018458177.db2.gz XRDLDTAQGLBWTK-LJQANCHMSA-N -1 1 313.372 3.644 20 0 DHADMM O=S(=O)([N-]c1cccc2[nH]ccc21)c1ccc(Cl)cc1 ZINC000074842680 1018599541 /nfs/dbraw/zinc/59/95/41/1018599541.db2.gz MRNNEDMSFFXXTL-UHFFFAOYSA-N -1 1 306.774 3.622 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1cc2cc(Cl)ccc2[nH]1 ZINC000676055442 1018651079 /nfs/dbraw/zinc/65/10/79/1018651079.db2.gz JIGPEAXWGSFCJA-UHFFFAOYSA-N -1 1 304.708 3.918 20 0 DHADMM O=C([O-])CN(Cc1ccc(-c2ccccc2F)o1)C1CCC1 ZINC000656100983 1018790737 /nfs/dbraw/zinc/79/07/37/1018790737.db2.gz SEUNFVCEAJBLJJ-UHFFFAOYSA-N -1 1 303.333 3.525 20 0 DHADMM CCCC[C@@H](C)N(C)C(=O)c1cc(Br)ccc1[O-] ZINC000386319244 1018911936 /nfs/dbraw/zinc/91/19/36/1018911936.db2.gz IEXWZDLTNWKMEN-SNVBAGLBSA-N -1 1 314.223 3.805 20 0 DHADMM Nc1ccc(Cl)cc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001212443744 1018957430 /nfs/dbraw/zinc/95/74/30/1018957430.db2.gz KQEUQFMXOOJAJS-UHFFFAOYSA-N -1 1 300.749 3.557 20 0 DHADMM Cc1ccc(OCCN(C)C(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000021961285 1018966097 /nfs/dbraw/zinc/96/60/97/1018966097.db2.gz UYABHNDOYDTNOS-UHFFFAOYSA-N -1 1 319.788 3.505 20 0 DHADMM CC[C@H](C)N(Cc1ccccc1)C(=O)c1cc(F)ccc1[O-] ZINC000387354113 1019088269 /nfs/dbraw/zinc/08/82/69/1019088269.db2.gz ZAKHRMQLEUUUOV-ZDUSSCGKSA-N -1 1 301.361 3.972 20 0 DHADMM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1F)c1ccoc1 ZINC000671658081 1019114410 /nfs/dbraw/zinc/11/44/10/1019114410.db2.gz ZXLZTLQCPUSMOB-UHFFFAOYSA-N -1 1 317.341 3.887 20 0 DHADMM CC(C)(C)c1ccc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)s1 ZINC000672428993 1019222230 /nfs/dbraw/zinc/22/22/30/1019222230.db2.gz AQYLGKPHDBLIJY-VIFPVBQESA-N -1 1 323.430 3.512 20 0 DHADMM CC[C@]1(C(=O)[O-])CCCN(Cc2csc(C3CCCC3)n2)C1 ZINC000923469819 1019225989 /nfs/dbraw/zinc/22/59/89/1019225989.db2.gz GSYYWRBNKDJMJL-KRWDZBQOSA-N -1 1 322.474 3.878 20 0 DHADMM O=C(Cc1ccc([O-])c(Cl)c1)NCC[C@H]1CCC(F)(F)C1 ZINC000889994461 1019257853 /nfs/dbraw/zinc/25/78/53/1019257853.db2.gz VIHTXNOYCHGDTK-SNVBAGLBSA-N -1 1 317.763 3.530 20 0 DHADMM CC(C)[C@@H](NCc1ccc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000113401610 1019278882 /nfs/dbraw/zinc/27/88/82/1019278882.db2.gz CXVDGTFTAKTSCW-OAHLLOKOSA-N -1 1 307.777 3.799 20 0 DHADMM [O-]c1cccnc1-c1nc(-c2ccc3nccc(Cl)c3c2)no1 ZINC001212480920 1019417838 /nfs/dbraw/zinc/41/78/38/1019417838.db2.gz PUAUXRAWYHZIKQ-UHFFFAOYSA-N -1 1 324.727 3.706 20 0 DHADMM [O-]c1cccnc1-c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC001212480919 1019418264 /nfs/dbraw/zinc/41/82/64/1019418264.db2.gz PUARLBNWWJUMDN-UHFFFAOYSA-N -1 1 307.231 3.523 20 0 DHADMM O=C([N-]c1c(F)cccc1F)c1coc(-c2ccccc2)n1 ZINC000078025567 1019425801 /nfs/dbraw/zinc/42/58/01/1019425801.db2.gz MWJROFMBNQIQSF-UHFFFAOYSA-N -1 1 300.264 3.872 20 0 DHADMM CC(C)c1cc(CNC(=O)c2ccc3ccccc3c2[O-])on1 ZINC000114307950 1019489285 /nfs/dbraw/zinc/48/92/85/1019489285.db2.gz NVWQMGUUKRYSHR-UHFFFAOYSA-N -1 1 310.353 3.587 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCCc2cccc(O)c21 ZINC000170873037 1019495952 /nfs/dbraw/zinc/49/59/52/1019495952.db2.gz YTJPKSNMDODVDD-UHFFFAOYSA-N -1 1 319.360 3.844 20 0 DHADMM CCOc1ccc(N(CC2CC2)C(=O)c2ccccc2[O-])cc1 ZINC001171642878 1032840922 /nfs/dbraw/zinc/84/09/22/1032840922.db2.gz CWWTZPOKUVUTEA-UHFFFAOYSA-N -1 1 311.381 3.848 20 0 DHADMM CCN(C(=O)c1cc(F)ccc1[O-])[C@H](C)c1ccc(F)cc1 ZINC000094020402 1019595468 /nfs/dbraw/zinc/59/54/68/1019595468.db2.gz BFWSCAQLEBLVBZ-LLVKDONJSA-N -1 1 305.324 3.894 20 0 DHADMM CC1(C)CN(C(=O)c2ccc([O-])c(F)c2)[C@H]1c1cccs1 ZINC000673396108 1019872585 /nfs/dbraw/zinc/87/25/85/1019872585.db2.gz UYWUMQMNBKCRQV-AWEZNQCLSA-N -1 1 305.374 3.816 20 0 DHADMM C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])Cc2ccccc21 ZINC000922324743 1020005052 /nfs/dbraw/zinc/00/50/52/1020005052.db2.gz RSFZISNAJRRCHY-LLVKDONJSA-N -1 1 301.773 3.805 20 0 DHADMM CC(C)[C@H](N[C@H](C)c1ccc(F)cc1[O-])C(=O)OC(C)(C)C ZINC000186351929 1020053685 /nfs/dbraw/zinc/05/36/85/1020053685.db2.gz AWACHLJDNIPJMR-ABAIWWIYSA-N -1 1 311.397 3.548 20 0 DHADMM C[C@H]1CCCCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000338853741 1020064401 /nfs/dbraw/zinc/06/44/01/1020064401.db2.gz ATMMOSWPCPRVIM-NSHDSACASA-N -1 1 318.804 3.856 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000111666322 1020149152 /nfs/dbraw/zinc/14/91/52/1020149152.db2.gz SKBIKNLNHJRNIQ-CHWSQXEVSA-N -1 1 305.736 3.927 20 0 DHADMM O=C([O-])C[C@@H]1CCCN(Cc2cccc(Cl)c2Cl)C1 ZINC000086757043 1020172387 /nfs/dbraw/zinc/17/23/87/1020172387.db2.gz QYLCQMAPYZDCQZ-JTQLQIEISA-N -1 1 302.201 3.680 20 0 DHADMM Cc1n[n-]cc1S(=O)(=O)Oc1ccc(C2CCCCC2)cc1 ZINC000732216096 1020212893 /nfs/dbraw/zinc/21/28/93/1020212893.db2.gz QZZLSSZNSMGDOT-UHFFFAOYSA-N -1 1 320.414 3.534 20 0 DHADMM O=c1nc(N[C@@H]2CCC[C@H]2Cc2ccccc2)cc(Cl)[n-]1 ZINC000858417021 1032886135 /nfs/dbraw/zinc/88/61/35/1032886135.db2.gz KZPATQXMAMXCON-QWHCGFSZSA-N -1 1 303.793 3.659 20 0 DHADMM O=c1nc(N2CCC[C@H]2CCCc2ccccc2)cc(Cl)[n-]1 ZINC000858451521 1032902161 /nfs/dbraw/zinc/90/21/61/1032902161.db2.gz YSGYYQCEMPRSCU-CQSZACIVSA-N -1 1 317.820 3.827 20 0 DHADMM CC(=O)c1cc(-c2nc(-c3ccc(C(C)(C)C)cc3)no2)n[n-]1 ZINC001212429756 1020508834 /nfs/dbraw/zinc/50/88/34/1020508834.db2.gz OEBRDGUCVOMVKB-UHFFFAOYSA-N -1 1 310.357 3.627 20 0 DHADMM CC(=O)c1cc(-c2nc(-c3ccc(C(C)(C)C)cc3)no2)[n-]n1 ZINC001212429756 1020508839 /nfs/dbraw/zinc/50/88/39/1020508839.db2.gz OEBRDGUCVOMVKB-UHFFFAOYSA-N -1 1 310.357 3.627 20 0 DHADMM O=c1nc(N2CCC[C@@H](c3ccc(F)cc3)CC2)cc(Cl)[n-]1 ZINC000858469229 1032907744 /nfs/dbraw/zinc/90/77/44/1032907744.db2.gz OSSJPBFTQFTGRR-LLVKDONJSA-N -1 1 321.783 3.749 20 0 DHADMM Cc1ccccc1[N-]S(=O)(=O)c1c(C)ccc2ncccc21 ZINC000673983425 1020598942 /nfs/dbraw/zinc/59/89/42/1020598942.db2.gz VFDFYNAZFLYUSQ-UHFFFAOYSA-N -1 1 312.394 3.652 20 0 DHADMM CCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)C1CC(C)(C)C1 ZINC000413984564 1020755678 /nfs/dbraw/zinc/75/56/78/1020755678.db2.gz FIEANPQOEYDQQB-UHFFFAOYSA-N -1 1 311.809 3.705 20 0 DHADMM CCc1ccc(CCNC(=O)c2c([O-])cccc2Cl)cc1 ZINC000736681788 1020827401 /nfs/dbraw/zinc/82/74/01/1020827401.db2.gz BJMSJSQRTRGIJJ-UHFFFAOYSA-N -1 1 303.789 3.581 20 0 DHADMM Cc1ccc([C@@H](C)CNC(=O)c2c([O-])cccc2Cl)cc1 ZINC000738545999 1020876004 /nfs/dbraw/zinc/87/60/04/1020876004.db2.gz YGPYUKSWOQZMDQ-LBPRGKRZSA-N -1 1 303.789 3.888 20 0 DHADMM CCC[C@H](C)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000740921702 1020964730 /nfs/dbraw/zinc/96/47/30/1020964730.db2.gz ZPIRVFREMAGEFU-NSHDSACASA-N -1 1 322.405 3.658 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N(C[C@H]1CCCO1)C1CCCC1 ZINC000174535663 1020981195 /nfs/dbraw/zinc/98/11/95/1020981195.db2.gz FLGJMCYAFCLQIN-CQSZACIVSA-N -1 1 323.820 3.609 20 0 DHADMM CCS[C@H]1CC[C@H](N(C)C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000175393692 1021042447 /nfs/dbraw/zinc/04/24/47/1021042447.db2.gz CHRMUDAEKZLIEH-RYUDHWBXSA-N -1 1 313.850 3.792 20 0 DHADMM O=C(Cc1c[nH]c2ccccc12)Nc1ccc([O-])c(Cl)c1 ZINC000067738918 1021196519 /nfs/dbraw/zinc/19/65/19/1021196519.db2.gz RBJPFHWJWSLRDU-UHFFFAOYSA-N -1 1 300.745 3.708 20 0 DHADMM CCC(C)(CC)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000134893406 1021332383 /nfs/dbraw/zinc/33/23/83/1021332383.db2.gz JCBLCJJKLXDEPR-UHFFFAOYSA-N -1 1 317.429 3.640 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2ccc3scnc3c2)ccc1F ZINC000170933191 1021558756 /nfs/dbraw/zinc/55/87/56/1021558756.db2.gz OVQGMPCSLMIXHX-UHFFFAOYSA-N -1 1 322.386 3.545 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2c(C)cccc2C)c1 ZINC000745067872 1021650524 /nfs/dbraw/zinc/65/05/24/1021650524.db2.gz WORPDDKCWNYHNN-UHFFFAOYSA-N -1 1 312.365 3.611 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)/C=C\C2CCCCC2)c1 ZINC000745059087 1021652948 /nfs/dbraw/zinc/65/29/48/1021652948.db2.gz STHWSZLSNQWAKL-YFHOEESVSA-N -1 1 316.397 3.817 20 0 DHADMM Cc1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c(C)s1 ZINC000613667202 1021667983 /nfs/dbraw/zinc/66/79/83/1021667983.db2.gz MEXUAKZCDJQOMG-UHFFFAOYSA-N -1 1 313.382 3.713 20 0 DHADMM O=C1[N-]C(=S)SC1=Cc1ccc(Oc2cnccn2)cc1 ZINC000033723092 1021753916 /nfs/dbraw/zinc/75/39/16/1021753916.db2.gz NGYMWKJPYGZNMY-XFFZJAGNSA-N -1 1 315.379 3.598 20 0 DHADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC000615228582 1021765262 /nfs/dbraw/zinc/76/52/62/1021765262.db2.gz MCYRPKOLPIFSFB-ZDUSSCGKSA-N -1 1 321.808 3.846 20 0 DHADMM COc1cc(C(=O)N2CCCC[C@@H]2C2CCC2)cc(Cl)c1[O-] ZINC000649197284 1021791676 /nfs/dbraw/zinc/79/16/76/1021791676.db2.gz JBCOJOXCTPNVQK-CQSZACIVSA-N -1 1 323.820 3.849 20 0 DHADMM C/C(=C\C(=O)Nc1cc(C)cc(Br)c1[O-])C1CC1 ZINC000182900784 1021864896 /nfs/dbraw/zinc/86/48/96/1021864896.db2.gz VJQVOWULOOPSMR-VQHVLOKHSA-N -1 1 310.191 3.758 20 0 DHADMM CC1(C)C[C@@H]1C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000556850893 1021896354 /nfs/dbraw/zinc/89/63/54/1021896354.db2.gz OCSBUOSUULUMGI-SSDOTTSWSA-N -1 1 318.598 3.793 20 0 DHADMM Cc1c(=O)[n-]c(S[C@@H](C)C(F)(F)F)nc1-c1ccccc1 ZINC000185054950 1021929851 /nfs/dbraw/zinc/92/98/51/1021929851.db2.gz UKVSQYMXGIAEPP-VIFPVBQESA-N -1 1 314.332 3.788 20 0 DHADMM CCOc1cc(C(=O)Nc2cccc(C)c2O)cc(Cl)c1[O-] ZINC000186962249 1021948086 /nfs/dbraw/zinc/94/80/86/1021948086.db2.gz AMSJDAQBCRNZNE-UHFFFAOYSA-N -1 1 321.760 3.711 20 0 DHADMM CC(C)(CNC(=O)c1c([O-])cccc1Cl)c1ccccc1 ZINC000920445035 1022121300 /nfs/dbraw/zinc/12/13/00/1022121300.db2.gz PDRYRABZVACRTL-UHFFFAOYSA-N -1 1 303.789 3.753 20 0 DHADMM CCOc1ccccc1[C@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000920444250 1022121636 /nfs/dbraw/zinc/12/16/36/1022121636.db2.gz CHPCWWAKKIPXPM-NSHDSACASA-N -1 1 319.788 3.935 20 0 DHADMM O=C(N[C@H]1CCc2c1cccc2F)c1c([O-])cccc1Cl ZINC000920462711 1022122973 /nfs/dbraw/zinc/12/29/73/1022122973.db2.gz IGXUPCLUXQMZFN-ZDUSSCGKSA-N -1 1 305.736 3.602 20 0 DHADMM C[C@@H](CNC(=O)c1c([O-])cccc1Cl)c1ccc(F)cc1 ZINC000920463180 1022123285 /nfs/dbraw/zinc/12/32/85/1022123285.db2.gz AKNHVRIMOIDQFT-JTQLQIEISA-N -1 1 307.752 3.718 20 0 DHADMM COc1ccc(C)cc1[C@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000920430081 1022124959 /nfs/dbraw/zinc/12/49/59/1022124959.db2.gz MEOLQUNROIEOMK-NSHDSACASA-N -1 1 319.788 3.854 20 0 DHADMM CC(C)[C@H](C)N(C(=O)NCc1ccc([O-])c(Cl)c1)C1CC1 ZINC000876394215 1033037249 /nfs/dbraw/zinc/03/72/49/1033037249.db2.gz SAKCOQKDFXTVLE-NSHDSACASA-N -1 1 310.825 3.764 20 0 DHADMM Cc1cccc2c1CCC[C@@H]2NC(=O)c1c(F)ccc([O-])c1F ZINC000620672224 1022218729 /nfs/dbraw/zinc/21/87/29/1022218729.db2.gz GRXPQRTWWRYDLZ-AWEZNQCLSA-N -1 1 317.335 3.786 20 0 DHADMM C[C@@H]1CN(C(=O)c2ccc([O-])cc2F)CC[C@@H]1c1ccccc1 ZINC000154931189 1022345847 /nfs/dbraw/zinc/34/58/47/1022345847.db2.gz LFDSEBILGUEWJK-CJNGLKHVSA-N -1 1 313.372 3.797 20 0 DHADMM O=C(Nc1ccccc1SC(F)(F)F)c1cncc([O-])c1 ZINC000111776163 1022381560 /nfs/dbraw/zinc/38/15/60/1022381560.db2.gz RDPBFIPRUTXLEX-UHFFFAOYSA-N -1 1 314.288 3.651 20 0 DHADMM [O-]c1ccc(-c2noc(CC[C@H]3CC3(Cl)Cl)n2)c(F)c1 ZINC000854050932 1022398500 /nfs/dbraw/zinc/39/85/00/1022398500.db2.gz MNMBTWGRLJOJBV-ZETCQYMHSA-N -1 1 317.147 3.708 20 0 DHADMM O=c1cc(CNc2ccc3nc(-c4ccccc4)[nH]c3c2)o[n-]1 ZINC001169492563 1022432873 /nfs/dbraw/zinc/43/28/73/1022432873.db2.gz LJVSIBDDWOWLEF-UHFFFAOYSA-N -1 1 306.325 3.536 20 0 DHADMM CC(=O)[C@H](C)CCCCC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885675876 1022445057 /nfs/dbraw/zinc/44/50/57/1022445057.db2.gz DBBSRBAYHGZYOA-SECBINFHSA-N -1 1 315.772 3.909 20 0 DHADMM Cc1ccc(F)c(-c2cccc(OCC(F)(F)F)n2)c1[O-] ZINC001236389454 1022452999 /nfs/dbraw/zinc/45/29/99/1022452999.db2.gz FOIGAZVBMUMABB-UHFFFAOYSA-N -1 1 301.239 3.843 20 0 DHADMM O=C(C[C@H]1CCC(F)(F)C1)Nc1cc(F)c([O-])cc1Cl ZINC000885678443 1022461700 /nfs/dbraw/zinc/46/17/00/1022461700.db2.gz PLHBOOAKBITVSG-SSDOTTSWSA-N -1 1 307.699 3.949 20 0 DHADMM CCc1onc(C)c1[N-]C(=O)c1cc(F)c(Cl)cc1F ZINC000156392372 1022462379 /nfs/dbraw/zinc/46/23/79/1022462379.db2.gz DRTSPSLYZUZBLR-UHFFFAOYSA-N -1 1 300.692 3.729 20 0 DHADMM COC(=O)c1ccc(Nc2ccc(Cl)c([O-])c2)c(C(C)=O)c1 ZINC001212593967 1022515327 /nfs/dbraw/zinc/51/53/27/1022515327.db2.gz ODIURWOGSIUKLN-UHFFFAOYSA-N -1 1 319.744 3.778 20 0 DHADMM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000276400497 1022629187 /nfs/dbraw/zinc/62/91/87/1022629187.db2.gz WKQOOGFFMFHMTB-NSHDSACASA-N -1 1 321.726 3.849 20 0 DHADMM O=C(C[C@]12CCCC[C@H]1C2(F)F)Nc1ccc([O-])c(F)c1F ZINC000616101589 1022636873 /nfs/dbraw/zinc/63/68/73/1022636873.db2.gz RAHZFZMAWKQNAU-QMTHXVAHSA-N -1 1 317.282 3.825 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC2(CCCC2)C1 ZINC000180614742 1022770927 /nfs/dbraw/zinc/77/09/27/1022770927.db2.gz OOXKIHFJJYEKKX-UHFFFAOYSA-N -1 1 313.319 3.817 20 0 DHADMM CN(CCCCc1ccccc1)C(=O)c1ccc([O-])cc1F ZINC000162352042 1022807019 /nfs/dbraw/zinc/80/70/19/1022807019.db2.gz GGWRJAQRQARHLB-UHFFFAOYSA-N -1 1 301.361 3.626 20 0 DHADMM CC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000780421030 1022811887 /nfs/dbraw/zinc/81/18/87/1022811887.db2.gz SMZRQHMXNMTOAS-UHFFFAOYSA-N -1 1 317.410 3.615 20 0 DHADMM CC(C)CCc1nnc([N-]C(=O)c2coc(C3CCC3)n2)s1 ZINC000617094341 1022843860 /nfs/dbraw/zinc/84/38/60/1022843860.db2.gz JHBGNZDANDXYBV-UHFFFAOYSA-N -1 1 320.418 3.635 20 0 DHADMM Cc1nc(S[C@@H](C)C(=O)c2ccc(Cl)cc2)[n-]c(=O)c1C ZINC000538518288 1033084957 /nfs/dbraw/zinc/08/49/57/1033084957.db2.gz SPAXMDXARXTCMB-JTQLQIEISA-N -1 1 322.817 3.816 20 0 DHADMM Cc1ccc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1Cl ZINC000319116519 1022864483 /nfs/dbraw/zinc/86/44/83/1022864483.db2.gz NIBLVXQNZFYNNI-QGZVFWFLSA-N -1 1 315.800 3.660 20 0 DHADMM CSc1c(F)cc(NC(=O)c2ccc([O-])c(F)c2)cc1F ZINC000768446535 1022968858 /nfs/dbraw/zinc/96/88/58/1022968858.db2.gz GXYHDZKPZCDJEX-UHFFFAOYSA-N -1 1 313.300 3.784 20 0 DHADMM CCc1ccc([C@@H](C)C(=O)n2[n-]c(=O)c3ccc(OC)cc32)cc1 ZINC000857508332 1023023937 /nfs/dbraw/zinc/02/39/37/1023023937.db2.gz DWXIQWVLUUYRMJ-GFCCVEGCSA-N -1 1 324.380 3.757 20 0 DHADMM CCCC(C)(C)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000651497949 1023042349 /nfs/dbraw/zinc/04/23/49/1023042349.db2.gz GGXPZIDYCMQGKF-UHFFFAOYSA-N -1 1 317.429 3.640 20 0 DHADMM Cc1cc(C)nc([N-]S(=O)(=O)/C=C/c2cccc(Cl)c2)c1 ZINC000768864103 1023052302 /nfs/dbraw/zinc/05/23/02/1023052302.db2.gz LTQBRVVUTVACAH-VOTSOKGWSA-N -1 1 322.817 3.764 20 0 DHADMM Cc1cccc(C(C)(C)CNC(=O)c2c([O-])cccc2F)c1 ZINC000622333953 1023117534 /nfs/dbraw/zinc/11/75/34/1023117534.db2.gz SNZDPUSUFLZCCT-UHFFFAOYSA-N -1 1 301.361 3.547 20 0 DHADMM CCSCC[C@H](C)N(C)C(=O)c1c([O-])cccc1Cl ZINC000769931994 1023251194 /nfs/dbraw/zinc/25/11/94/1023251194.db2.gz IVCOVXUQYHCLLK-JTQLQIEISA-N -1 1 301.839 3.649 20 0 DHADMM C[C@@H](c1cccc(O)c1)N(C)C(=O)c1c([O-])cccc1Cl ZINC000769992072 1023257400 /nfs/dbraw/zinc/25/74/00/1023257400.db2.gz AVPXFSYNVUOZFW-JTQLQIEISA-N -1 1 305.761 3.584 20 0 DHADMM CC[C@H](C)OCC[C@H](C)Nc1c(C)c(=O)[n-]n1-c1ccccc1 ZINC001172352832 1033133382 /nfs/dbraw/zinc/13/33/82/1033133382.db2.gz UHWRBMVHFYFXHD-KBPBESRZSA-N -1 1 317.433 3.892 20 0 DHADMM Cc1ccc(COC(=O)c2ccc(Cl)c(Cl)c2[O-])nc1 ZINC000772271327 1023534979 /nfs/dbraw/zinc/53/49/79/1023534979.db2.gz GCZMRFWBDKXYPX-UHFFFAOYSA-N -1 1 312.152 3.759 20 0 DHADMM O=C(NCC1(Cc2ccccc2)CC1)c1c([O-])cccc1Cl ZINC000772569001 1023571351 /nfs/dbraw/zinc/57/13/51/1023571351.db2.gz INJBFHMRZIIJAV-UHFFFAOYSA-N -1 1 315.800 3.798 20 0 DHADMM C[C@H](CC(C)(C)C)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000772613944 1023573968 /nfs/dbraw/zinc/57/39/68/1023573968.db2.gz LEUHACAJRHSOQH-LLVKDONJSA-N -1 1 318.369 3.614 20 0 DHADMM Cc1cc(N2CCC[C@H](CCC(=O)[O-])C2)c2cc(F)ccc2n1 ZINC000662887756 1023644325 /nfs/dbraw/zinc/64/43/25/1023644325.db2.gz PZBXWOOZUJBOFT-CYBMUJFWSA-N -1 1 316.376 3.764 20 0 DHADMM CCC1(CC)CCCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000661676244 1023683522 /nfs/dbraw/zinc/68/35/22/1023683522.db2.gz FWQQVZBTEUVWNF-UHFFFAOYSA-N -1 1 305.447 3.799 20 0 DHADMM O=C([O-])CCN1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000661791860 1023751627 /nfs/dbraw/zinc/75/16/27/1023751627.db2.gz PDGRJBLURPAGMR-INIZCTEOSA-N -1 1 321.829 3.824 20 0 DHADMM Cc1cc(-c2nc(=O)c3sccc3[n-]2)ccc1Br ZINC000048603535 1023800356 /nfs/dbraw/zinc/80/03/56/1023800356.db2.gz KTJLHLOIVLNVTR-UHFFFAOYSA-N -1 1 321.199 3.723 20 0 DHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000048652641 1023801530 /nfs/dbraw/zinc/80/15/30/1023801530.db2.gz YBJNKIORKKRADU-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)Cc1nc(C(=O)[O-])co1 ZINC000652429508 1023857763 /nfs/dbraw/zinc/85/77/63/1023857763.db2.gz VNHOZSWKBNZUEA-QWRGUYRKSA-N -1 1 322.792 3.650 20 0 DHADMM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)Cc1nc(C(=O)[O-])co1 ZINC000652429508 1023857766 /nfs/dbraw/zinc/85/77/66/1023857766.db2.gz VNHOZSWKBNZUEA-QWRGUYRKSA-N -1 1 322.792 3.650 20 0 DHADMM COc1ccc(CCc2nc(=O)c3sc(C)cc3[n-]2)cc1F ZINC000663220033 1023943623 /nfs/dbraw/zinc/94/36/23/1023943623.db2.gz WHBCEAZXHSHGQA-UHFFFAOYSA-N -1 1 318.373 3.638 20 0 DHADMM Cc1[nH]c2ccc(C(=O)Nc3nc(Cl)ccc3[O-])cc2c1C ZINC000789930657 1024184695 /nfs/dbraw/zinc/18/46/95/1024184695.db2.gz ZYUSOXHDGZREIY-UHFFFAOYSA-N -1 1 315.760 3.791 20 0 DHADMM C[C@@H](C(=O)Nc1nc(Cl)ccc1[O-])c1ccc(Cl)s1 ZINC000789930000 1024184894 /nfs/dbraw/zinc/18/48/94/1024184894.db2.gz MGMHLIBPIXRCPV-ZCFIWIBFSA-N -1 1 317.197 3.898 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])c1coc(C2CCCCC2)n1 ZINC000790057404 1024216065 /nfs/dbraw/zinc/21/60/65/1024216065.db2.gz VWLHACJEODMIFB-UHFFFAOYSA-N -1 1 321.764 3.729 20 0 DHADMM Cc1cc(F)cc2[nH]c(C(=O)Nc3ccc(F)cc3[O-])cc21 ZINC000531755616 1024299333 /nfs/dbraw/zinc/29/93/33/1024299333.db2.gz KSCHTKRWVVAEPS-UHFFFAOYSA-N -1 1 302.280 3.712 20 0 DHADMM O=c1cccc(Nc2c(Cl)ccc(Br)c2[O-])[nH]1 ZINC001212794210 1024444805 /nfs/dbraw/zinc/44/48/05/1024444805.db2.gz OOAVTIYLIFLBSP-UHFFFAOYSA-N -1 1 315.554 3.652 20 0 DHADMM O=S(=O)([N-]c1cc(Cl)ccc1F)c1ccccc1Cl ZINC000007403699 1024622487 /nfs/dbraw/zinc/62/24/87/1024622487.db2.gz CQUXUPICHYWUDW-UHFFFAOYSA-N -1 1 320.172 3.933 20 0 DHADMM O=C(c1c(F)ccc([O-])c1F)N1CCC[C@H](c2ccccc2)C1 ZINC000348863852 1024633484 /nfs/dbraw/zinc/63/34/84/1024633484.db2.gz CLGQTUUZDCDCAX-ZDUSSCGKSA-N -1 1 317.335 3.690 20 0 DHADMM CC(C)(NC(=O)c1ccc(F)c([O-])c1)c1ccc(Cl)cc1 ZINC001157703819 1024695074 /nfs/dbraw/zinc/69/50/74/1024695074.db2.gz QYEGBPFFNRZIGS-UHFFFAOYSA-N -1 1 307.752 3.850 20 0 DHADMM O=C(Nc1ccc(Oc2ccncc2)cc1)c1ccccc1[O-] ZINC000050490679 1024771772 /nfs/dbraw/zinc/77/17/72/1024771772.db2.gz FCNRSFQUWDYIIO-UHFFFAOYSA-N -1 1 306.321 3.832 20 0 DHADMM C[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000351303683 1024868160 /nfs/dbraw/zinc/86/81/60/1024868160.db2.gz ODFFTXHSYWNNAU-ZDUSSCGKSA-N -1 1 321.380 3.600 20 0 DHADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3C)cc2o1 ZINC000073957090 1024887303 /nfs/dbraw/zinc/88/73/03/1024887303.db2.gz LUIKQYVVYZEAFZ-UHFFFAOYSA-N -1 1 316.382 3.554 20 0 DHADMM CC1=CC[C@@](C)(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CC1 ZINC000666314378 1024940157 /nfs/dbraw/zinc/94/01/57/1024940157.db2.gz PSYQNJRMDCNWHD-GOSISDBHSA-N -1 1 311.385 3.857 20 0 DHADMM CCCN(CC(=O)[O-])Cc1ccc(-c2cccc(F)c2C)o1 ZINC000263402956 1024972399 /nfs/dbraw/zinc/97/23/99/1024972399.db2.gz ISJBDRPNVXZQFC-UHFFFAOYSA-N -1 1 305.349 3.691 20 0 DHADMM CC(C)c1nnc([N-]C(=O)c2cnc(-c3ccco3)s2)s1 ZINC000348963282 1025161051 /nfs/dbraw/zinc/16/10/51/1025161051.db2.gz JSAALWHXTKECBO-UHFFFAOYSA-N -1 1 320.399 3.630 20 0 DHADMM Cc1nc(-c2ccc(NC[C@@H]3C[C@@H]3[C@H]3C[C@H]3C)nc2)[n-]c(=O)c1C ZINC000884649505 1025209055 /nfs/dbraw/zinc/20/90/55/1025209055.db2.gz FUPFDVXDJBDFMA-BWAGICSOSA-N -1 1 324.428 3.565 20 0 DHADMM C[C@@H]1CCCc2ncc(C(=O)Nc3cc(F)c([O-])cc3Cl)n21 ZINC000885680167 1025380182 /nfs/dbraw/zinc/38/01/82/1025380182.db2.gz NBFDKWLZIGRDGQ-MRVPVSSYSA-N -1 1 323.755 3.531 20 0 DHADMM CC(C)(C(=O)Nc1cc(F)c([O-])cc1Cl)C1CCOCC1 ZINC000885678647 1025381984 /nfs/dbraw/zinc/38/19/84/1025381984.db2.gz UFBLEDSKERIWTO-UHFFFAOYSA-N -1 1 315.772 3.576 20 0 DHADMM C[C@]1(CNC(=O)c2c(F)ccc([O-])c2F)C[C@@H]1c1ccccc1 ZINC000355033689 1025586886 /nfs/dbraw/zinc/58/68/86/1025586886.db2.gz XGHSHLYZPRVUPY-KZULUSFZSA-N -1 1 317.335 3.594 20 0 DHADMM CCCc1ccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)cc1 ZINC000110140392 1025605778 /nfs/dbraw/zinc/60/57/78/1025605778.db2.gz FPRUBBBWQFCNLB-UHFFFAOYSA-N -1 1 314.410 3.921 20 0 DHADMM O=S(=O)([N-]c1cc(F)c(F)cc1F)c1ccccc1Cl ZINC000105389947 1025921966 /nfs/dbraw/zinc/92/19/66/1025921966.db2.gz RKADSDDLRLEEBK-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM C[C@H]1CCC[C@H](C)C1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC001211796449 1026036109 /nfs/dbraw/zinc/03/61/09/1026036109.db2.gz HUTNLWRNICVQDG-RYUDHWBXSA-N -1 1 307.415 3.536 20 0 DHADMM COc1cc(-c2cc(F)c([O-])c(F)c2)ccc1OC(F)F ZINC001244096875 1026091017 /nfs/dbraw/zinc/09/10/17/1026091017.db2.gz KQOFMCOOOZCMLF-UHFFFAOYSA-N -1 1 302.223 3.947 20 0 DHADMM O=C(NCc1ccc(F)cc1F)c1ccc2ccccc2c1[O-] ZINC000320377604 1026315322 /nfs/dbraw/zinc/31/53/22/1026315322.db2.gz KJHIRXKBBUOKED-UHFFFAOYSA-N -1 1 313.303 3.754 20 0 DHADMM Cc1ccccc1OCCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000809985366 1026654328 /nfs/dbraw/zinc/65/43/28/1026654328.db2.gz KVOHGZOOJZGITE-UHFFFAOYSA-N -1 1 312.341 3.599 20 0 DHADMM Cc1ccccc1C(C)(C)CNC(=O)c1c(F)ccc([O-])c1F ZINC000280760971 1026756787 /nfs/dbraw/zinc/75/67/87/1026756787.db2.gz LLMGMQUAVJPVOT-UHFFFAOYSA-N -1 1 319.351 3.686 20 0 DHADMM Cc1cnc(C(=O)N2CC[C@H](c3ccccc3)C2(C)C)c([O-])c1 ZINC000422064001 1027102574 /nfs/dbraw/zinc/10/25/74/1027102574.db2.gz JEJUMZCWBZOTRM-OAHLLOKOSA-N -1 1 310.397 3.504 20 0 DHADMM CCc1nc(SCC(=O)c2ccc(C)c(C)c2)[n-]c(=O)c1C ZINC000572618221 1027217265 /nfs/dbraw/zinc/21/72/65/1027217265.db2.gz VVJXYVNUJOXZRL-UHFFFAOYSA-N -1 1 316.426 3.645 20 0 DHADMM O=C(NC1(c2c(Cl)cccc2Cl)CC1)c1ccc([O-])cn1 ZINC001545686390 1027337661 /nfs/dbraw/zinc/33/76/61/1027337661.db2.gz IHMTVOASPCHIIF-UHFFFAOYSA-N -1 1 323.179 3.513 20 0 DHADMM CCC(CC)N(CC)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000932053391 1027353149 /nfs/dbraw/zinc/35/31/49/1027353149.db2.gz WMIPGBGIPCUFNN-UHFFFAOYSA-N -1 1 316.405 3.620 20 0 DHADMM Cc1cnc(C(=O)N2CCC[C@](C)(c3ccccc3)CC2)c([O-])c1 ZINC000575891358 1027521963 /nfs/dbraw/zinc/52/19/63/1027521963.db2.gz ZAFQDNBDVACUFD-FQEVSTJZSA-N -1 1 324.424 3.680 20 0 DHADMM COc1cccc(C[C@@H](C)CC(=O)Nc2c([O-])cccc2F)c1 ZINC000935098512 1028197293 /nfs/dbraw/zinc/19/72/93/1028197293.db2.gz BRQAUGPQGAWTAK-GFCCVEGCSA-N -1 1 317.360 3.747 20 0 DHADMM O=C([N-]c1nnc(Cc2ccccc2)s1)c1sccc1F ZINC000815083829 1028354374 /nfs/dbraw/zinc/35/43/74/1028354374.db2.gz FANHKPAZWJQHNQ-UHFFFAOYSA-N -1 1 319.386 3.582 20 0 DHADMM O=C(c1c(F)ccc([O-])c1F)N1CC=C(c2ccccc2)CC1 ZINC000368540059 1028368122 /nfs/dbraw/zinc/36/81/22/1028368122.db2.gz RQIPBCBERJZSMD-UHFFFAOYSA-N -1 1 315.319 3.600 20 0 DHADMM Cc1cc(C(=O)Nc2nc(Cl)ccc2[O-])c(Cl)cc1F ZINC000188344754 1028505368 /nfs/dbraw/zinc/50/53/68/1028505368.db2.gz NQQBDHUPXUUZEY-UHFFFAOYSA-N -1 1 315.131 3.794 20 0 DHADMM N#Cc1ccc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1O ZINC000188746095 1028528212 /nfs/dbraw/zinc/52/82/12/1028528212.db2.gz GGKYHGZUQPYFET-UHFFFAOYSA-N -1 1 323.135 3.529 20 0 DHADMM Cc1nc(CN(C)[C@H](C)CC(=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000565250809 1028563608 /nfs/dbraw/zinc/56/36/08/1028563608.db2.gz QSXNKATVDUPMPA-SNVBAGLBSA-N -1 1 322.792 3.598 20 0 DHADMM Cc1oc([C@H](C)N2CCC(C(F)(F)F)CC2)cc1C(=O)[O-] ZINC000565599712 1028609040 /nfs/dbraw/zinc/60/90/40/1028609040.db2.gz ABYFJUGXYZVNCA-QMMMGPOBSA-N -1 1 305.296 3.622 20 0 DHADMM Cc1ccc(C(C)(C)CNC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000565744182 1028628908 /nfs/dbraw/zinc/62/89/08/1028628908.db2.gz SNXVBZIUJKLIER-UHFFFAOYSA-N -1 1 319.351 3.686 20 0 DHADMM O=C(N[C@H]1CC[C@H](c2ccccc2)C1)c1c(F)ccc([O-])c1F ZINC000370743512 1028645453 /nfs/dbraw/zinc/64/54/53/1028645453.db2.gz WGRUIGKQNIELNA-STQMWFEESA-N -1 1 317.335 3.737 20 0 DHADMM CC(C)(F)c1cc([N-]C(=O)c2c(F)cc(F)cc2F)no1 ZINC001135368977 1028718516 /nfs/dbraw/zinc/71/85/16/1028718516.db2.gz JSEZYXRZTAJYCO-UHFFFAOYSA-N -1 1 302.227 3.549 20 0 DHADMM O=C(NCc1ccc(Cl)cc1Cl)c1cccc([O-])c1F ZINC001135436728 1028762316 /nfs/dbraw/zinc/76/23/16/1028762316.db2.gz WPBNWHOIFFWHPE-UHFFFAOYSA-N -1 1 314.143 3.768 20 0 DHADMM Cc1cc(C=O)c([O-])c(C(=O)N2CCC[C@@H]2c2cccs2)c1 ZINC001135461864 1028784355 /nfs/dbraw/zinc/78/43/55/1028784355.db2.gz RWLSMWLZDKZDAG-CQSZACIVSA-N -1 1 315.394 3.552 20 0 DHADMM Cc1cc(C=O)c([O-])c(C(=O)N2CCC[C@H]2c2cccs2)c1 ZINC001135461863 1028784552 /nfs/dbraw/zinc/78/45/52/1028784552.db2.gz RWLSMWLZDKZDAG-AWEZNQCLSA-N -1 1 315.394 3.552 20 0 DHADMM CCOc1cc(C(=O)N2CC3(CCC3)C[C@H]2C)cc(Cl)c1[O-] ZINC000372910325 1028921031 /nfs/dbraw/zinc/92/10/31/1028921031.db2.gz GMNWQDAEAIUBOP-LLVKDONJSA-N -1 1 323.820 3.849 20 0 DHADMM Cc1cnc(SCCCOc2cccc(Cl)c2)[n-]c1=O ZINC000568108827 1029009058 /nfs/dbraw/zinc/00/90/58/1029009058.db2.gz ORXDCKFSRFJWRO-UHFFFAOYSA-N -1 1 310.806 3.705 20 0 DHADMM CCN(Cc1ccccc1)C(=O)c1ncc2ccccc2c1[O-] ZINC001135999563 1029249374 /nfs/dbraw/zinc/24/93/74/1029249374.db2.gz QJCCUCKDHKXPKX-UHFFFAOYSA-N -1 1 306.365 3.603 20 0 DHADMM CCc1nc(SC[C@@H](OC)c2ccc(F)cc2)[n-]c(=O)c1C ZINC000629185195 1029268029 /nfs/dbraw/zinc/26/80/29/1029268029.db2.gz YIVFFPZDEWBANM-CQSZACIVSA-N -1 1 322.405 3.672 20 0 DHADMM CO[C@H]1c2ccccc2C[C@H]1Sc1nc(C(F)F)cc(=O)[n-]1 ZINC000629184174 1029268396 /nfs/dbraw/zinc/26/83/96/1029268396.db2.gz ZERGIUAKUIFNCM-YPMHNXCESA-N -1 1 324.352 3.524 20 0 DHADMM C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC001136114118 1029336132 /nfs/dbraw/zinc/33/61/32/1029336132.db2.gz UXUGLIOBBXUSCO-OCCSQVGLSA-N -1 1 313.397 3.902 20 0 DHADMM CCO[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529538701 1029375580 /nfs/dbraw/zinc/37/55/80/1029375580.db2.gz KDRVLMHUJVKLQK-BXUZGUMPSA-N -1 1 305.761 3.562 20 0 DHADMM COc1ccc(F)cc1[C@@H](C)NC(=O)c1cc(Cl)ccc1[O-] ZINC001136283822 1029631469 /nfs/dbraw/zinc/63/14/69/1029631469.db2.gz PFBSLJJTQCKSQO-SECBINFHSA-N -1 1 323.751 3.684 20 0 DHADMM Cc1nc(C(C)(C)C)sc1C(=O)Nc1cccc(F)c1[O-] ZINC000530004990 1029710488 /nfs/dbraw/zinc/71/04/88/1029710488.db2.gz DRROPORWRLHJMX-UHFFFAOYSA-N -1 1 308.378 3.846 20 0 DHADMM Cc1ccc(O)cc1[N-]S(=O)(=O)c1ccccc1C(C)C ZINC000530144257 1029757542 /nfs/dbraw/zinc/75/75/42/1029757542.db2.gz DNEQVYFWDGDQMU-UHFFFAOYSA-N -1 1 305.399 3.625 20 0 DHADMM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1ccns1 ZINC001136398280 1029798627 /nfs/dbraw/zinc/79/86/27/1029798627.db2.gz CTUWBGJCPOMBMN-UHFFFAOYSA-N -1 1 322.802 3.567 20 0 DHADMM O=C(Cc1csc(C2CCCC2)n1)Nc1c([O-])cccc1F ZINC000821344656 1029830423 /nfs/dbraw/zinc/83/04/23/1029830423.db2.gz YQLUZGTZQZUIDC-UHFFFAOYSA-N -1 1 320.389 3.827 20 0 DHADMM O=C(Nc1ccc(Nc2ccccc2)nc1)c1ccccc1[O-] ZINC001136467517 1029854771 /nfs/dbraw/zinc/85/47/71/1029854771.db2.gz DCDPBMOWJVJDCX-UHFFFAOYSA-N -1 1 305.337 3.783 20 0 DHADMM O=C(NC1(c2ccccc2)CC1)c1cc2ccccc2cc1[O-] ZINC001136547472 1029949856 /nfs/dbraw/zinc/94/98/56/1029949856.db2.gz WYKGRHAUIQMLEU-UHFFFAOYSA-N -1 1 303.361 3.965 20 0 DHADMM Cc1cc(C=O)c([O-])c(C(=O)N(CC2CC2)C2CCCCC2)c1 ZINC001136600124 1030067108 /nfs/dbraw/zinc/06/71/08/1030067108.db2.gz FELBRTMMPCJTRI-UHFFFAOYSA-N -1 1 315.413 3.698 20 0 DHADMM CC[C@@H](C)CO[N-]C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000794876485 1030079651 /nfs/dbraw/zinc/07/96/51/1030079651.db2.gz VPBMFCKTSZTXIL-GHMZBOCLSA-N -1 1 303.324 3.903 20 0 DHADMM Cc1cc(NC(=O)c2ccc([O-])cc2F)nn1C1CCCCC1 ZINC000290858018 1030225252 /nfs/dbraw/zinc/22/52/52/1030225252.db2.gz ABINXVWOBJGSLL-UHFFFAOYSA-N -1 1 317.364 3.794 20 0 DHADMM O=C(Nc1ccnc(-c2ccccc2)c1)c1cc(F)ccc1[O-] ZINC001136762438 1030362900 /nfs/dbraw/zinc/36/29/00/1030362900.db2.gz PXDBYYKIHAOUKP-UHFFFAOYSA-N -1 1 308.312 3.846 20 0 DHADMM CN(OCc1ccccc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000121215975 1030438912 /nfs/dbraw/zinc/43/89/12/1030438912.db2.gz QOPFBHPJEUMFNV-UHFFFAOYSA-N -1 1 307.349 3.749 20 0 DHADMM Cc1cnc(C(=O)N(Cc2ccco2)Cc2ccccc2)c([O-])c1 ZINC000358898420 1030670591 /nfs/dbraw/zinc/67/05/91/1030670591.db2.gz FQVJZNZPAOAIPC-UHFFFAOYSA-N -1 1 322.364 3.531 20 0 DHADMM CC(C)(C)c1csc(C(=O)[N-]c2nc(C3(C)CC3)ns2)n1 ZINC000869396189 1030761219 /nfs/dbraw/zinc/76/12/19/1030761219.db2.gz NRBRDNIEOBGYHI-UHFFFAOYSA-N -1 1 322.459 3.596 20 0 DHADMM Cc1ccc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])c(Cl)c1 ZINC000320075176 1030918137 /nfs/dbraw/zinc/91/81/37/1030918137.db2.gz VPDDUPZPGRYKQM-QGZVFWFLSA-N -1 1 315.800 3.660 20 0 DHADMM CC(C)[C@@H]1N(C(=O)c2c([O-])cccc2Cl)CC12CC=CC2 ZINC000844097817 1030955104 /nfs/dbraw/zinc/95/51/04/1030955104.db2.gz ZKHNFPGOUCPYKF-HNNXBMFYSA-N -1 1 305.805 3.862 20 0 DHADMM Cc1c(F)cccc1-c1ccc(CN[C@H](CC(C)C)C(=O)[O-])o1 ZINC000262723645 1031139415 /nfs/dbraw/zinc/13/94/15/1031139415.db2.gz XITCIPWKTVYOTF-MRXNPFEDSA-N -1 1 319.376 3.983 20 0 DHADMM Cc1c(F)cccc1-c1ccc(C[N@H+]2CCCC[C@H]2C(=O)[O-])o1 ZINC000263451722 1031195379 /nfs/dbraw/zinc/19/53/79/1031195379.db2.gz ZXUXNONKRGZNTQ-INIZCTEOSA-N -1 1 317.360 3.833 20 0 DHADMM Cc1c(F)cccc1-c1ccc(CN2CCCC[C@H]2C(=O)[O-])o1 ZINC000263451722 1031195386 /nfs/dbraw/zinc/19/53/86/1031195386.db2.gz ZXUXNONKRGZNTQ-INIZCTEOSA-N -1 1 317.360 3.833 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@@H](OC2CCC2)CC1 ZINC000871329020 1031198520 /nfs/dbraw/zinc/19/85/20/1031198520.db2.gz OOUHVLWGZSMLPK-CYBMUJFWSA-N -1 1 323.820 3.609 20 0 DHADMM O=C([O-])[C@@]12CCC[C@H]1CN(Cc1csc(Cl)c1Cl)C2 ZINC000263533096 1031205343 /nfs/dbraw/zinc/20/53/43/1031205343.db2.gz XQOWSGMXUAHMIB-TVQRCGJNSA-N -1 1 320.241 3.742 20 0 DHADMM COCCOc1cccc(-c2nc3ccc(C)c(C)c3c(=O)[n-]2)c1 ZINC000871601164 1031241498 /nfs/dbraw/zinc/24/14/98/1031241498.db2.gz FEGDBKWGVHFSPD-UHFFFAOYSA-N -1 1 324.380 3.644 20 0 DHADMM Cc1c(C[S@](C)=O)cccc1NCc1cccc([O-])c1Cl ZINC000293161542 1031354593 /nfs/dbraw/zinc/35/45/93/1031354593.db2.gz FPUDGZUCNKIGLE-NRFANRHFSA-N -1 1 323.845 3.845 20 0 DHADMM Cc1noc(C(C)C)c1[N-]C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000928785617 1031381466 /nfs/dbraw/zinc/38/14/66/1031381466.db2.gz BZRJNVNICPRQPR-JTQLQIEISA-N -1 1 321.402 3.667 20 0 DHADMM Cc1noc(C(C)C)c1[N-]C(=O)c1ccc(Br)o1 ZINC000928790643 1031386837 /nfs/dbraw/zinc/38/68/37/1031386837.db2.gz MWTCERLYBUDRLD-UHFFFAOYSA-N -1 1 313.151 3.714 20 0 DHADMM CCN(Cc1cccc(OC)c1)Cc1c(F)cc([O-])cc1F ZINC001144558913 1031710402 /nfs/dbraw/zinc/71/04/02/1031710402.db2.gz FKXYATNEEIWJHG-UHFFFAOYSA-N -1 1 307.340 3.701 20 0 DHADMM CN(Cc1c(F)cc([O-])cc1F)[C@H](C1CCC1)C(F)(F)F ZINC001144559966 1031712584 /nfs/dbraw/zinc/71/25/84/1031712584.db2.gz TUDFICFPPPGHBZ-CYBMUJFWSA-N -1 1 309.278 3.833 20 0 DHADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@H](c2ccccc2)C2CCC2)c1 ZINC001144623016 1031772546 /nfs/dbraw/zinc/77/25/46/1031772546.db2.gz KUGPQXWQVBSBAY-GOSISDBHSA-N -1 1 323.392 3.784 20 0 DHADMM Cc1nc(CC(C)C)oc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000476329925 1031798261 /nfs/dbraw/zinc/79/82/61/1031798261.db2.gz JNKTXQJQKZVSGX-UHFFFAOYSA-N -1 1 308.765 3.793 20 0 DHADMM CN(Cc1cc(F)c([O-])cc1F)[C@@H](C1CCC1)C(F)(F)F ZINC001144659405 1031813791 /nfs/dbraw/zinc/81/37/91/1031813791.db2.gz HUEULZYSNPVUQR-ZDUSSCGKSA-N -1 1 309.278 3.833 20 0 DHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC2(CCC2)[C@@H]1C1CC1 ZINC000897799856 1031843284 /nfs/dbraw/zinc/84/32/84/1031843284.db2.gz RLZMUIIZCQTKHG-SFHVURJKSA-N -1 1 323.392 3.656 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@]2(CC2(F)F)C1 ZINC000846573059 1032012400 /nfs/dbraw/zinc/01/24/00/1032012400.db2.gz VTLDENZYRSZWDD-KRWDZBQOSA-N -1 1 317.335 3.807 20 0 DHADMM Cc1cccc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)c1F ZINC001212688540 1033445808 /nfs/dbraw/zinc/44/58/08/1033445808.db2.gz HLMCDOFAMVRRFU-UHFFFAOYSA-N -1 1 312.226 3.593 20 0 DHADMM Cc1cccc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)c1F ZINC001212688540 1033445812 /nfs/dbraw/zinc/44/58/12/1033445812.db2.gz HLMCDOFAMVRRFU-UHFFFAOYSA-N -1 1 312.226 3.593 20 0 DHADMM Cc1cccc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)c1C ZINC001212689453 1033461196 /nfs/dbraw/zinc/46/11/96/1033461196.db2.gz FHIXVVIVESWJKT-UHFFFAOYSA-N -1 1 308.263 3.762 20 0 DHADMM Cc1cccc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)c1C ZINC001212689453 1033461200 /nfs/dbraw/zinc/46/12/00/1033461200.db2.gz FHIXVVIVESWJKT-UHFFFAOYSA-N -1 1 308.263 3.762 20 0 DHADMM COC(=O)c1ccc(C(=O)[N-]c2ccccc2SC(C)C)o1 ZINC000153073172 1033559112 /nfs/dbraw/zinc/55/91/12/1033559112.db2.gz WWRGIKACAYHBPK-UHFFFAOYSA-N -1 1 319.382 3.819 20 0 DHADMM O=C(NC1(Cc2ccccc2)CCC1)c1c([O-])cccc1Cl ZINC001137251227 1033624610 /nfs/dbraw/zinc/62/46/10/1033624610.db2.gz WKJUXCBNCAVHFP-UHFFFAOYSA-N -1 1 315.800 3.941 20 0 DHADMM COc1ccc2c(cccc2-c2noc(-c3ccncc3[O-])n2)c1 ZINC001212722430 1033686319 /nfs/dbraw/zinc/68/63/19/1033686319.db2.gz GFSJPCRXWAPICZ-UHFFFAOYSA-N -1 1 319.320 3.666 20 0 DHADMM Cc1cccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1C ZINC000479504175 1033784004 /nfs/dbraw/zinc/78/40/04/1033784004.db2.gz PJYWKVPMVIPRNO-UHFFFAOYSA-N -1 1 318.423 3.714 20 0 DHADMM CSc1ccc([O-])c(C(=O)Nc2cnc(Cl)c(C)c2)c1 ZINC001137156576 1034352119 /nfs/dbraw/zinc/35/21/19/1034352119.db2.gz NCRBMXNEOHZYHK-UHFFFAOYSA-N -1 1 308.790 3.723 20 0 DHADMM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000898983712 1034375573 /nfs/dbraw/zinc/37/55/73/1034375573.db2.gz CIMXNWCLZGJRPA-QXMXGUDHSA-N -1 1 311.381 3.654 20 0 DHADMM Cc1nc(SC[C@@H]2CCC(C)(C)CO2)[n-]c(=O)c1C1CC1 ZINC000865372991 1034612665 /nfs/dbraw/zinc/61/26/65/1034612665.db2.gz AZUUIFRFKCQJLB-LBPRGKRZSA-N -1 1 308.447 3.665 20 0 DHADMM O=C(N[C@@H](C1CCCCC1)C(F)(F)F)c1cccc([O-])c1F ZINC001137167516 1034658918 /nfs/dbraw/zinc/65/89/18/1034658918.db2.gz LVASSRICSBIJCQ-ZDUSSCGKSA-N -1 1 319.298 3.772 20 0 DHADMM CC(C)OC(=O)c1cccc(Nc2c([O-])cc(F)cc2F)c1 ZINC001174915385 1034677662 /nfs/dbraw/zinc/67/76/62/1034677662.db2.gz FOQZHDWXINFOKO-UHFFFAOYSA-N -1 1 307.296 3.979 20 0 DHADMM Cc1ccc(Nc2ccc(F)c(Br)c2[O-])cc1N ZINC001174937581 1034696909 /nfs/dbraw/zinc/69/69/09/1034696909.db2.gz SAXKYMXOKPTWSK-UHFFFAOYSA-N -1 1 311.154 3.928 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2cccc(N)c2)c2ccccc12 ZINC001174988497 1034748498 /nfs/dbraw/zinc/74/84/98/1034748498.db2.gz WSCLIBLIVQBXQN-UHFFFAOYSA-N -1 1 312.394 3.531 20 0 DHADMM Cc1nonc1[N-]c1cc(F)c(OCc2ccccc2)cc1F ZINC001175153116 1034818245 /nfs/dbraw/zinc/81/82/45/1034818245.db2.gz DOAODRKHIUUBKR-UHFFFAOYSA-N -1 1 317.295 3.979 20 0 DHADMM CC(C)OC(=O)c1ccc(Nc2cc([O-])c(F)c(F)c2)cc1 ZINC001175258855 1034908144 /nfs/dbraw/zinc/90/81/44/1034908144.db2.gz AQYAMVUZLZWVDG-UHFFFAOYSA-N -1 1 307.296 3.979 20 0 DHADMM C[C@@H]1CN(Cc2ccc(Cl)cc2C(=O)[O-])CCC1(F)F ZINC001142647430 1034915595 /nfs/dbraw/zinc/91/55/95/1034915595.db2.gz WJEVDTINZPSRDT-SECBINFHSA-N -1 1 303.736 3.515 20 0 DHADMM CC(C)c1nnc([N-]c2cccc(C(=O)OC(C)(C)C)c2)o1 ZINC001175545897 1035011789 /nfs/dbraw/zinc/01/17/89/1035011789.db2.gz TVDWDSSRRNQEDY-UHFFFAOYSA-N -1 1 303.362 3.892 20 0 DHADMM CC(C)Sc1ccc([N-]S(=O)(=O)c2ccccc2N)cc1 ZINC001175626547 1035053607 /nfs/dbraw/zinc/05/36/07/1035053607.db2.gz OFXGZQMCEYXIAS-UHFFFAOYSA-N -1 1 322.455 3.570 20 0 DHADMM C[C@@H]1[C@H](C)CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)[C@H]1C ZINC000668060075 1035123288 /nfs/dbraw/zinc/12/32/88/1035123288.db2.gz RNHQRRDNYWAEHU-BBBLOLIVSA-N -1 1 301.308 3.528 20 0 DHADMM CC(=O)OCc1cccc(C)c1Nc1cc([O-])c(F)c(F)c1 ZINC001212772148 1035153265 /nfs/dbraw/zinc/15/32/65/1035153265.db2.gz UQBAACRIVCFWQC-UHFFFAOYSA-N -1 1 307.296 3.786 20 0 DHADMM COC(=O)c1c([N-]c2c(C)noc2C)scc1C(F)(F)F ZINC001176175577 1035212097 /nfs/dbraw/zinc/21/20/97/1035212097.db2.gz AXVLWOKZBIRIRI-UHFFFAOYSA-N -1 1 320.292 3.902 20 0 DHADMM Cc1c(Cl)cc(Nc2cnc(N(C)C)nc2)c([O-])c1Cl ZINC001176334103 1035242582 /nfs/dbraw/zinc/24/25/82/1035242582.db2.gz VNTGKCLYPURFNN-UHFFFAOYSA-N -1 1 313.188 3.607 20 0 DHADMM CC(C)Oc1cccc(COC(=O)c2ccc([O-])cc2F)c1 ZINC000773567304 1035248445 /nfs/dbraw/zinc/24/84/45/1035248445.db2.gz JJOSGFQFKHXSLX-UHFFFAOYSA-N -1 1 304.317 3.676 20 0 DHADMM Cc1ncc(Nc2c(Cl)ccc(Br)c2[O-])cn1 ZINC001176401176 1035266855 /nfs/dbraw/zinc/26/68/55/1035266855.db2.gz QAEKVQYCSYZCQM-UHFFFAOYSA-N -1 1 314.570 3.650 20 0 DHADMM Cc1nc2ccc(F)cn2c1Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC001176593299 1035292641 /nfs/dbraw/zinc/29/26/41/1035292641.db2.gz ZKSUUAATRHDTDN-RUDMXATFSA-N -1 1 311.316 3.623 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cc(F)nc(F)c2Cl)c1F ZINC001176664204 1035308676 /nfs/dbraw/zinc/30/86/76/1035308676.db2.gz NEVCCJXXSMELOC-UHFFFAOYSA-N -1 1 310.609 3.880 20 0 DHADMM C[C@H]1CCc2cc(N)ccc2N1c1c(F)cc(F)c([O-])c1F ZINC001176669016 1035310466 /nfs/dbraw/zinc/31/04/66/1035310466.db2.gz BUMZNIGFPLSZQP-QMMMGPOBSA-N -1 1 308.303 3.865 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ccc3c(c2)[C@@H](O)CCC3)c1F ZINC001176670252 1035310983 /nfs/dbraw/zinc/31/09/83/1035310983.db2.gz CAFFBGFAFKIJCL-ZDUSSCGKSA-N -1 1 309.287 3.923 20 0 DHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2cccc(C3CC3)c2)c1 ZINC001176723609 1035318101 /nfs/dbraw/zinc/31/81/01/1035318101.db2.gz JADZNWLISHDLEF-UHFFFAOYSA-N -1 1 317.410 3.807 20 0 DHADMM CC[C@@H](C)[C@@H](C)N(C(=O)c1ncc2ccccc2c1[O-])C1CC1 ZINC000668314810 1035318908 /nfs/dbraw/zinc/31/89/08/1035318908.db2.gz YWMLDZSQFPEQEZ-CHWSQXEVSA-N -1 1 312.413 3.980 20 0 DHADMM [O-]c1cc(F)cc(F)c1Nc1ccnn1Cc1ccccc1 ZINC001176705558 1035324897 /nfs/dbraw/zinc/32/48/97/1035324897.db2.gz GWJCTENSHYWBNF-UHFFFAOYSA-N -1 1 301.296 3.659 20 0 DHADMM O=C([O-])[C@H](CC1CCC1)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000904018890 1035340922 /nfs/dbraw/zinc/34/09/22/1035340922.db2.gz PTPLGQUQODIOEU-INIZCTEOSA-N -1 1 317.360 3.819 20 0 DHADMM O=C([O-])[C@@H]1CC=C[C@@H](NCc2c(Cl)cccc2Cl)C1 ZINC000904037106 1035349074 /nfs/dbraw/zinc/34/90/74/1035349074.db2.gz VUZOEUGERHCWGH-NXEZZACHSA-N -1 1 300.185 3.502 20 0 DHADMM CCOc1ccc(C[C@@H](C)C(=O)[N-]Oc2ccccc2F)cc1 ZINC001177109642 1035350779 /nfs/dbraw/zinc/35/07/79/1035350779.db2.gz LRESJRLCCZOVIF-CYBMUJFWSA-N -1 1 317.360 3.513 20 0 DHADMM CC[C@H](NCc1cc2ccccc2s1)c1nc(C(=O)[O-])c[nH]1 ZINC000904064273 1035356578 /nfs/dbraw/zinc/35/65/78/1035356578.db2.gz HQTHPDXCRJLMLL-LBPRGKRZSA-N -1 1 315.398 3.564 20 0 DHADMM O=C(NCC1(c2cccc(F)c2)CCC1)c1c([O-])cccc1F ZINC001177310507 1035362680 /nfs/dbraw/zinc/36/26/80/1035362680.db2.gz AWWTUUAIUCYWIF-UHFFFAOYSA-N -1 1 317.335 3.522 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1cccnc1C1CC1 ZINC001179660364 1035488436 /nfs/dbraw/zinc/48/84/36/1035488436.db2.gz RCIFQDPDKHQAOC-UHFFFAOYSA-N -1 1 306.724 3.709 20 0 DHADMM CC(C)c1ccoc1-c1noc(-c2cc3c(cc2[O-])OCO3)n1 ZINC000436773930 1035514998 /nfs/dbraw/zinc/51/49/98/1035514998.db2.gz LCRDPIOLQMJODP-UHFFFAOYSA-N -1 1 314.297 3.554 20 0 DHADMM O=C(NCC[C@@H]1C[C@H]1Cc1ccccc1)c1ccc([O-])c(F)c1 ZINC001179959892 1035563195 /nfs/dbraw/zinc/56/31/95/1035563195.db2.gz IRQXDQGRPHBOBE-GDBMZVCRSA-N -1 1 313.372 3.530 20 0 DHADMM C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1[O-])C(F)(F)F ZINC001180089668 1035573085 /nfs/dbraw/zinc/57/30/85/1035573085.db2.gz SITWZOLQDMJUTQ-LURJTMIESA-N -1 1 315.213 3.938 20 0 DHADMM C[C@@H](NCc1ccc(C(=O)[O-])cn1)c1ccccc1C(F)(F)F ZINC000905726172 1035629076 /nfs/dbraw/zinc/62/90/76/1035629076.db2.gz KCAIVNIXSPDWNO-SNVBAGLBSA-N -1 1 324.302 3.649 20 0 DHADMM CCCCOC(=O)Nc1cc(OC)cc(Br)c1[O-] ZINC001193702857 1035714404 /nfs/dbraw/zinc/71/44/04/1035714404.db2.gz OYDVXLPKEFOZRQ-UHFFFAOYSA-N -1 1 318.167 3.512 20 0 DHADMM COCCc1ccccc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000192315115 1035790893 /nfs/dbraw/zinc/79/08/93/1035790893.db2.gz VDSBAFQJJNUPAN-UHFFFAOYSA-N -1 1 320.776 3.879 20 0 DHADMM Cc1[nH]nc2ccc(-c3ccc4c(c3)C[C@H]3[C@@H]4[C@H]3C(=O)[O-])cc12 ZINC000906240931 1035872205 /nfs/dbraw/zinc/87/22/05/1035872205.db2.gz PFHLXMDPLKSNSP-JQHSSLGASA-N -1 1 304.349 3.509 20 0 DHADMM CCC(=O)c1ccc([N-]S(=O)(=O)c2c(C)cccc2C)cc1 ZINC001194645184 1035976073 /nfs/dbraw/zinc/97/60/73/1035976073.db2.gz ZGIWPWHJOPJHRY-UHFFFAOYSA-N -1 1 317.410 3.697 20 0 DHADMM Cc1cc([N-]S(=O)(=O)c2c(C)cccc2C)cc(F)c1F ZINC001194643481 1035976727 /nfs/dbraw/zinc/97/67/27/1035976727.db2.gz WFUOZWHMUQXVFP-UHFFFAOYSA-N -1 1 311.353 3.691 20 0 DHADMM [O-]c1cc(F)c(Nc2cn3nc(Cl)ccc3n2)cc1Cl ZINC001250019845 1035985141 /nfs/dbraw/zinc/98/51/41/1035985141.db2.gz IECKYPIHCCLQEG-UHFFFAOYSA-N -1 1 313.119 3.624 20 0 DHADMM CC[C@@H](CC(C)C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001181843436 1036016198 /nfs/dbraw/zinc/01/61/98/1036016198.db2.gz QSHUZGGASSUTKK-ZDUSSCGKSA-N -1 1 301.390 3.589 20 0 DHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc([C@@H](C)O)c2)c1 ZINC001195108944 1036136319 /nfs/dbraw/zinc/13/63/19/1036136319.db2.gz UYHWTBGFXHMIJU-CYBMUJFWSA-N -1 1 319.426 3.664 20 0 DHADMM CN(C(=O)c1cc([O-])cnc1Cl)C(C)(C)Cc1ccccc1 ZINC001195306273 1036217511 /nfs/dbraw/zinc/21/75/11/1036217511.db2.gz UZHVHSLPLDJUAQ-UHFFFAOYSA-N -1 1 318.804 3.534 20 0 DHADMM CC(C)C[C@H](NC(=O)c1cc([O-])cnc1Cl)c1ccccc1 ZINC001195313340 1036219531 /nfs/dbraw/zinc/21/95/31/1036219531.db2.gz YPMGHUBGOMOJIO-HNNXBMFYSA-N -1 1 318.804 3.958 20 0 DHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])[C@H]1C[C@H]1C(F)(F)F ZINC001182322221 1036222634 /nfs/dbraw/zinc/22/26/34/1036222634.db2.gz OFMKXMRALALIIR-CAHLUQPWSA-N -1 1 313.197 3.548 20 0 DHADMM O=C([N-]c1nnco1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC001195405895 1036235049 /nfs/dbraw/zinc/23/50/49/1036235049.db2.gz WDAIRXDEBJKVMU-UHFFFAOYSA-N -1 1 324.123 3.889 20 0 DHADMM CC1(C)C(C)(C)C1(C)[N-]S(=O)(=O)c1sccc1Cl ZINC001195712336 1036322908 /nfs/dbraw/zinc/32/29/08/1036322908.db2.gz KUZUXMHLFUNIIX-UHFFFAOYSA-N -1 1 307.868 3.505 20 0 DHADMM Cc1ccc(F)cc1NC(=S)Nc1cc(Cl)ncc1[O-] ZINC001195888127 1036364599 /nfs/dbraw/zinc/36/45/99/1036364599.db2.gz VMJZJLYSFMIPPF-UHFFFAOYSA-N -1 1 311.769 3.697 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1nc(-c2ccccc2)cs1 ZINC000669908801 1036396476 /nfs/dbraw/zinc/39/64/76/1036396476.db2.gz LTCMVOALXNXBKH-UHFFFAOYSA-N -1 1 314.341 3.907 20 0 DHADMM O=C(/C=C/C1CCCC1)Nc1cccc([O-])c1Br ZINC000908708656 1036487319 /nfs/dbraw/zinc/48/73/19/1036487319.db2.gz ZGLDTKNOFWFIQS-CMDGGOBGSA-N -1 1 310.191 3.840 20 0 DHADMM CC(C)(C(=O)Nc1cccc([O-])c1Br)C1CCC1 ZINC000908707858 1036487612 /nfs/dbraw/zinc/48/76/12/1036487612.db2.gz MKEQUQYUUUCYNU-UHFFFAOYSA-N -1 1 312.207 3.920 20 0 DHADMM C[C@@H](C(=O)Nc1nc(Cl)ccc1[O-])c1ccc(Cl)cc1 ZINC001183218017 1036543227 /nfs/dbraw/zinc/54/32/27/1036543227.db2.gz HXSSRRBWWDRGML-MRVPVSSYSA-N -1 1 311.168 3.836 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)ccc1F ZINC000303325291 1036567268 /nfs/dbraw/zinc/56/72/68/1036567268.db2.gz VSBXSNFDZASMIM-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1c(F)ccc([O-])c1F ZINC000491558551 1036604559 /nfs/dbraw/zinc/60/45/59/1036604559.db2.gz GCWWTBKDJNEPAE-GHMZBOCLSA-N -1 1 311.372 3.957 20 0 DHADMM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909985803 1036728511 /nfs/dbraw/zinc/72/85/11/1036728511.db2.gz PUBGJNPBLBPFSN-BMIGLBTASA-N -1 1 313.344 3.594 20 0 DHADMM Cc1cc(C(=O)Nc2cc([O-])c(F)cc2F)c(C)n1C(C)C ZINC000909974577 1036729980 /nfs/dbraw/zinc/72/99/80/1036729980.db2.gz KSKFCWJSXPYHFM-UHFFFAOYSA-N -1 1 308.328 3.922 20 0 DHADMM CC[C@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)c1ccccn1 ZINC000910347037 1036843753 /nfs/dbraw/zinc/84/37/53/1036843753.db2.gz QMHABTIQMLIJOP-LBPRGKRZSA-N -1 1 324.302 3.687 20 0 DHADMM CCc1ccc(C(=O)Nc2cc(-c3ccccc3C)[nH]n2)c([O-])c1 ZINC001152448930 1037017725 /nfs/dbraw/zinc/01/77/25/1037017725.db2.gz MKELWOCDHWOAID-UHFFFAOYSA-N -1 1 321.380 3.905 20 0 DHADMM CC(C)(CC(=O)Nc1cc(F)cc(F)c1[O-])CC(F)(F)F ZINC000910989634 1037023554 /nfs/dbraw/zinc/02/35/54/1037023554.db2.gz BUBSEHKIILDNPT-UHFFFAOYSA-N -1 1 311.250 3.978 20 0 DHADMM O=C(Nc1ccc(F)c(F)c1)Nc1cc(F)c([O-])c(F)c1 ZINC001185089541 1037023350 /nfs/dbraw/zinc/02/33/50/1037023350.db2.gz IASUVBRXTOJFGG-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM CCC[C@H](C(=O)Nc1cc(F)cc(F)c1[O-])c1ccccn1 ZINC000910987642 1037023431 /nfs/dbraw/zinc/02/34/31/1037023431.db2.gz CGWVVSOODRMMMY-NSHDSACASA-N -1 1 306.312 3.588 20 0 DHADMM CCCc1cc(=O)[n-]c(S[C@H](CC)C(=O)c2ccccc2)n1 ZINC000315671923 1037052010 /nfs/dbraw/zinc/05/20/10/1037052010.db2.gz QDEODMWRTRRJEY-CQSZACIVSA-N -1 1 316.426 3.888 20 0 DHADMM Cc1noc(C)c1NC(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001185193289 1037076914 /nfs/dbraw/zinc/07/69/14/1037076914.db2.gz STMDEQPFMDRXCL-UHFFFAOYSA-N -1 1 315.251 3.660 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)Nc1ccc(F)c(F)c1F ZINC001185330256 1037114354 /nfs/dbraw/zinc/11/43/54/1037114354.db2.gz RDBHROBLMPHFCX-UHFFFAOYSA-N -1 1 318.201 3.732 20 0 DHADMM Cc1cnc([N-]S(=O)(=O)c2ccc3occc3c2)c(Cl)c1 ZINC001198827202 1037135646 /nfs/dbraw/zinc/13/56/46/1037135646.db2.gz VBASNUIOXHQZQS-UHFFFAOYSA-N -1 1 322.773 3.590 20 0 DHADMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc2occc2c1 ZINC001198816884 1037137596 /nfs/dbraw/zinc/13/75/96/1037137596.db2.gz QUEXWFYNWQIOHI-UHFFFAOYSA-N -1 1 307.758 3.887 20 0 DHADMM COc1ccc(C)c([N-]S(=O)(=O)c2ccc3occc3c2)c1 ZINC001198816377 1037138421 /nfs/dbraw/zinc/13/84/21/1037138421.db2.gz GVGIFVKYFJGRJG-UHFFFAOYSA-N -1 1 317.366 3.551 20 0 DHADMM CCCn1cc([N-]c2nc(-c3cc(F)cc(F)c3)ns2)cn1 ZINC001185497709 1037159919 /nfs/dbraw/zinc/15/99/19/1037159919.db2.gz IVUMQOOYUJATGT-UHFFFAOYSA-N -1 1 321.356 3.833 20 0 DHADMM O=C(Nc1ccc2c(c1)CCC2)Nc1cc(F)c([O-])c(F)c1 ZINC001185763110 1037229984 /nfs/dbraw/zinc/22/99/84/1037229984.db2.gz HCPTWDBYIQSOTK-UHFFFAOYSA-N -1 1 304.296 3.803 20 0 DHADMM O=C(N[C@@H](c1ccccc1F)C1CC1)c1ccc([O-])c(F)c1 ZINC001186233285 1037339694 /nfs/dbraw/zinc/33/96/94/1037339694.db2.gz HDPKUFCCGVWHID-MRXNPFEDSA-N -1 1 303.308 3.552 20 0 DHADMM O=C(NCCc1ccc(F)cc1)Nc1ccc([O-])c(Cl)c1 ZINC001186275498 1037353409 /nfs/dbraw/zinc/35/34/09/1037353409.db2.gz KCDNFDKZLUHYLD-UHFFFAOYSA-N -1 1 308.740 3.549 20 0 DHADMM [O-]c1cc(F)c(NC(=S)NCC2CCCCC2)cc1F ZINC001199926980 1037372160 /nfs/dbraw/zinc/37/21/60/1037372160.db2.gz JODYPAVPNIGOPH-UHFFFAOYSA-N -1 1 300.374 3.537 20 0 DHADMM COc1c(C)ccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1C ZINC000194144275 1037385563 /nfs/dbraw/zinc/38/55/63/1037385563.db2.gz NCZRTXSYHVWWBB-UHFFFAOYSA-N -1 1 323.389 3.560 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C2=CCCCCC2)c1 ZINC000775043421 1037461731 /nfs/dbraw/zinc/46/17/31/1037461731.db2.gz YEJQHBDFERIEPJ-UHFFFAOYSA-N -1 1 302.370 3.571 20 0 DHADMM O=C(Nc1cc(Cl)ncc1[O-])NC12CC3CC(CC(C3)C1)C2 ZINC001186654292 1037464700 /nfs/dbraw/zinc/46/47/00/1037464700.db2.gz VWJJWQPUEZKQIU-UHFFFAOYSA-N -1 1 321.808 3.531 20 0 DHADMM O=C(Nc1c([O-])cccc1F)NC12CC3CC(CC(C3)C1)C2 ZINC001186684801 1037466481 /nfs/dbraw/zinc/46/64/81/1037466481.db2.gz YSQHEYOUPHBJHT-UHFFFAOYSA-N -1 1 304.365 3.622 20 0 DHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C(F)=C1CCCC1 ZINC000763225746 1037520309 /nfs/dbraw/zinc/52/03/09/1037520309.db2.gz UBYCYDFNZHSJCZ-UHFFFAOYSA-N -1 1 301.321 3.518 20 0 DHADMM C[C@@H](C(=O)Nc1cc(Cl)c([O-])c2ccccc12)[C@@H]1CCCO1 ZINC000912858130 1037629033 /nfs/dbraw/zinc/62/90/33/1037629033.db2.gz DQQAWOITGZENNR-BMIGLBTASA-N -1 1 319.788 3.952 20 0 DHADMM CCOc1cc(C(=O)N2CC=CC23CCCC3)cc(Cl)c1[O-] ZINC000913195637 1037755485 /nfs/dbraw/zinc/75/54/85/1037755485.db2.gz OVQCKOFCVKFMQR-UHFFFAOYSA-N -1 1 321.804 3.769 20 0 DHADMM CSc1ccc(NC(=O)Nc2cc(Cl)ncc2[O-])cc1 ZINC001188084603 1037808854 /nfs/dbraw/zinc/80/88/54/1037808854.db2.gz IHCBVVWSLXZHIY-UHFFFAOYSA-N -1 1 309.778 3.807 20 0 DHADMM [O-]c1cccc(CN2CCN(c3ccccc3F)CC2)c1Cl ZINC000328375612 1037809861 /nfs/dbraw/zinc/80/98/61/1037809861.db2.gz QZPUJKHRSWOUKX-UHFFFAOYSA-N -1 1 320.795 3.507 20 0 DHADMM CCc1ccccc1S(=O)(=O)[N-]c1ccccc1CSC ZINC000187640613 1037983312 /nfs/dbraw/zinc/98/33/12/1037983312.db2.gz UHABKMSRIAQJLD-UHFFFAOYSA-N -1 1 321.467 3.913 20 0 DHADMM Cc1cccc([N-]S(=O)(=O)CC2CC2)c1Oc1ccccc1 ZINC001188962046 1038023865 /nfs/dbraw/zinc/02/38/65/1038023865.db2.gz DOXOMMCNRKBHFT-UHFFFAOYSA-N -1 1 317.410 3.939 20 0 DHADMM CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2[O-])c1 ZINC000126025645 1038026274 /nfs/dbraw/zinc/02/62/74/1038026274.db2.gz MNKNCGOWEQMFAD-UHFFFAOYSA-N -1 1 318.760 3.646 20 0 DHADMM O=S(=O)([N-]CCC1=CCCCCC1)c1cc(F)ccc1F ZINC001189056334 1038058184 /nfs/dbraw/zinc/05/81/84/1038058184.db2.gz CIUVEFXGXIDKCT-UHFFFAOYSA-N -1 1 315.385 3.524 20 0 DHADMM CCOc1ccccc1NC(=O)Nc1cc([O-])c(F)cc1F ZINC001202145193 1038059316 /nfs/dbraw/zinc/05/93/16/1038059316.db2.gz NODAFSPZKCHNEP-UHFFFAOYSA-N -1 1 308.284 3.713 20 0 DHADMM Cc1nc(SC2CC(OCc3ccccc3)C2)[n-]c(=O)c1C ZINC001189062501 1038060622 /nfs/dbraw/zinc/06/06/22/1038060622.db2.gz XJMVIFHJQWESOM-UHFFFAOYSA-N -1 1 316.426 3.639 20 0 DHADMM Cc1conc1CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC001189102564 1038074239 /nfs/dbraw/zinc/07/42/39/1038074239.db2.gz ATDWBFCXVYGFOM-UHFFFAOYSA-N -1 1 313.382 3.746 20 0 DHADMM O=S(=O)([N-]c1cccc(F)c1)c1ccc(F)c2ccccc21 ZINC001189347524 1038124005 /nfs/dbraw/zinc/12/40/05/1038124005.db2.gz IXIIFFDWBIUDNI-UHFFFAOYSA-N -1 1 319.332 3.919 20 0 DHADMM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)CC1 ZINC001189320760 1038127953 /nfs/dbraw/zinc/12/79/53/1038127953.db2.gz JBDNFMOAUOEGFC-CMPLNLGQSA-N -1 1 319.829 3.726 20 0 DHADMM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1cccc(F)c1[O-] ZINC001151771217 1038171295 /nfs/dbraw/zinc/17/12/95/1038171295.db2.gz FAZDQVAWFXZPSK-WWGRRREGSA-N -1 1 323.408 3.947 20 0 DHADMM O=S(=O)(CCCF)[N-]c1cc(C2CCCCC2)ccc1O ZINC001189921668 1038229939 /nfs/dbraw/zinc/22/99/39/1038229939.db2.gz UGEWODSDBPXFFI-UHFFFAOYSA-N -1 1 315.410 3.541 20 0 DHADMM O=S(=O)([N-]c1ccc2ncccc2c1)c1ccc(C2CC2)cc1 ZINC001190460080 1038324468 /nfs/dbraw/zinc/32/44/68/1038324468.db2.gz DTCRRPNXCVMUDG-UHFFFAOYSA-N -1 1 324.405 3.913 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2ccncc2)c(-c2ccccc2)c1 ZINC001190898320 1038403025 /nfs/dbraw/zinc/40/30/25/1038403025.db2.gz UYFRLNVLUAHCII-UHFFFAOYSA-N -1 1 324.405 3.858 20 0 DHADMM O=c1oc2cc([O-])ccc2cc1Nc1cc(F)cc2[nH]ccc21 ZINC001203734640 1038430996 /nfs/dbraw/zinc/43/09/96/1038430996.db2.gz UCRHLJLAGHSKMN-UHFFFAOYSA-N -1 1 310.284 3.863 20 0 DHADMM C[C@]12CCCC[C@H]1CN2C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000629618481 1038455082 /nfs/dbraw/zinc/45/50/82/1038455082.db2.gz NQVFPDUITUJQTA-NHYWBVRUSA-N -1 1 313.319 3.816 20 0 DHADMM CCc1cc(=O)[nH]c(C[N@@H+]2CCCC[C@H]2c2ccc(C)cc2)n1 ZINC001191195807 1038458809 /nfs/dbraw/zinc/45/88/09/1038458809.db2.gz ZSWBNNJWYQBLGY-KRWDZBQOSA-N -1 1 311.429 3.780 20 0 DHADMM CC[C@@H]1CC[N@H+]([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000572609482 1038473647 /nfs/dbraw/zinc/47/36/47/1038473647.db2.gz RCKPPIZUPUBBKA-RNCFNFMXSA-N -1 1 302.201 3.851 20 0 DHADMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(OC)c2)cc1 ZINC000589427414 1038485067 /nfs/dbraw/zinc/48/50/67/1038485067.db2.gz XEYMCRNGUWWIQL-UHFFFAOYSA-N -1 1 319.426 3.839 20 0 DHADMM COc1cccc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)c1 ZINC000589428906 1038485357 /nfs/dbraw/zinc/48/53/57/1038485357.db2.gz FFBNKGDBZJKRHV-UHFFFAOYSA-N -1 1 305.399 3.619 20 0 DHADMM O=S(=O)(CC1CCCC1)[N-]c1ccccc1OC(F)(F)F ZINC001191480862 1038507822 /nfs/dbraw/zinc/50/78/22/1038507822.db2.gz JUHVNHOLNDMADY-UHFFFAOYSA-N -1 1 323.336 3.517 20 0 DHADMM CCC(C)(C)C1CCC2(C[C@@H]2C(=O)Nc2c(C)[n-][nH]c2=O)CC1 ZINC000615221161 1038541562 /nfs/dbraw/zinc/54/15/62/1038541562.db2.gz JFZZGRBNNFYADK-YNAXMUEKSA-N -1 1 319.449 3.995 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCCC2(CC2)CC1 ZINC000629644983 1038563921 /nfs/dbraw/zinc/56/39/21/1038563921.db2.gz MPGPFISNFFIHPC-UHFFFAOYSA-N -1 1 313.319 3.817 20 0 DHADMM CC(C)C[C@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccccn1 ZINC001192551045 1038673115 /nfs/dbraw/zinc/67/31/15/1038673115.db2.gz AWCSBIOLWUVNQR-ZDUSSCGKSA-N -1 1 320.339 3.583 20 0 DHADMM O=C(Nc1ccc(C(=O)C2CC2)cc1)c1cc([O-])cc(F)c1F ZINC001192670887 1038690609 /nfs/dbraw/zinc/69/06/09/1038690609.db2.gz OSEYFTSFDOOVDU-UHFFFAOYSA-N -1 1 317.291 3.515 20 0 DHADMM O=C(Nc1cccc2cncc(F)c21)c1cc([O-])cc(F)c1F ZINC001192670639 1038690699 /nfs/dbraw/zinc/69/06/99/1038690699.db2.gz LKQONZCIRXNNCF-UHFFFAOYSA-N -1 1 318.254 3.610 20 0 DHADMM O=C(Nc1ccccc1-c1cnco1)c1cc([O-])cc(F)c1F ZINC001192665961 1038693346 /nfs/dbraw/zinc/69/33/46/1038693346.db2.gz ZBZFTPDREFGWQR-UHFFFAOYSA-N -1 1 316.263 3.578 20 0 DHADMM Cc1cc(NC(=O)c2cc([O-])cc(F)c2F)c2ccsc2n1 ZINC001192661392 1038693374 /nfs/dbraw/zinc/69/33/74/1038693374.db2.gz VOOSPITVJNBARJ-UHFFFAOYSA-N -1 1 320.320 3.841 20 0 DHADMM O=C(N[C@@H]1CCc2ccc(F)cc21)c1cc(Cl)ccc1[O-] ZINC000592656306 1039251455 /nfs/dbraw/zinc/25/14/55/1039251455.db2.gz FOWUPVKYWHHELR-CQSZACIVSA-N -1 1 305.736 3.602 20 0 DHADMM CCCN(C)c1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000605440322 1039684194 /nfs/dbraw/zinc/68/41/94/1039684194.db2.gz OBECCALTGMZYFX-UHFFFAOYSA-N -1 1 302.349 3.630 20 0 DHADMM CCN(CCc1nccs1)Cc1cc(C(=O)[O-])ccc1Cl ZINC000574458469 1039691662 /nfs/dbraw/zinc/69/16/62/1039691662.db2.gz KBIUWZFLXIMQBJ-UHFFFAOYSA-N -1 1 324.833 3.559 20 0 DHADMM O=C(Nc1ccc2ccc(Cl)cc2n1)c1ccc([O-])c(F)c1 ZINC000669728215 1039746077 /nfs/dbraw/zinc/74/60/77/1039746077.db2.gz IEIFHZMOWQFAOR-UHFFFAOYSA-N -1 1 316.719 3.985 20 0 DHADMM Cc1ccccc1[C@]1(F)CCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000669743427 1039997928 /nfs/dbraw/zinc/99/79/28/1039997928.db2.gz WFLLJFGICLGSQZ-SFHVURJKSA-N -1 1 317.335 3.551 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1cnc(-c2ccco2)s1 ZINC000608366920 1040473600 /nfs/dbraw/zinc/47/36/00/1040473600.db2.gz QNKQEUMHUCOFCB-UHFFFAOYSA-N -1 1 304.302 3.500 20 0 DHADMM COc1ccc(CCC(=O)Nc2c([O-])cccc2F)cc1Cl ZINC000608367474 1040474110 /nfs/dbraw/zinc/47/41/10/1040474110.db2.gz ZXRMFWBAXMBHNQ-UHFFFAOYSA-N -1 1 323.751 3.765 20 0 DHADMM C[C@@H](CC(=O)c1ccccc1F)C(=O)Nc1c([O-])cccc1F ZINC000608366778 1040474884 /nfs/dbraw/zinc/47/48/84/1040474884.db2.gz YRMSSJWXHMWTPI-JTQLQIEISA-N -1 1 319.307 3.518 20 0 DHADMM CSCc1ccc([N-]S(=O)(=O)c2ccccc2C)cc1 ZINC000608955684 1040659300 /nfs/dbraw/zinc/65/93/00/1040659300.db2.gz LMZQXMHWCXIHPR-UHFFFAOYSA-N -1 1 307.440 3.659 20 0 DHADMM COc1ccc(N(CC2CC2)C(=O)c2cc(F)ccc2[O-])cc1 ZINC000456171754 1040721435 /nfs/dbraw/zinc/72/14/35/1040721435.db2.gz FABUJXNTCVBNEN-UHFFFAOYSA-N -1 1 315.344 3.597 20 0 DHADMM CC(C)(C)[C@@H]1CCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001120849475 1040727963 /nfs/dbraw/zinc/72/79/63/1040727963.db2.gz IJJHDFUJVDBEIN-LBPRGKRZSA-N -1 1 301.308 3.672 20 0 DHADMM COc1cc(C(=O)N[C@]2(C)CCCC[C@@H]2C)cc(Cl)c1[O-] ZINC000457273377 1041070499 /nfs/dbraw/zinc/07/04/99/1041070499.db2.gz UZSNHGGSLCYSKI-MGPLVRAMSA-N -1 1 311.809 3.753 20 0 DHADMM O=C([O-])[C@H]1C[C@@H](NCc2sccc2Cl)c2ccccc21 ZINC000417630470 335018928 /nfs/dbraw/zinc/01/89/28/335018928.db2.gz RBOHHKDDUXRBNN-WCQYABFASA-N -1 1 307.802 3.804 20 0 DHADMM O=C([O-])[C@@H](NCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000019787879 182148473 /nfs/dbraw/zinc/14/84/73/182148473.db2.gz ATFUCXGTQLWDNC-AWEZNQCLSA-N -1 1 310.180 3.909 20 0 DHADMM CC1(C(=O)[O-])CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000062844326 184256027 /nfs/dbraw/zinc/25/60/27/184256027.db2.gz QLKUHNGEOJZPNR-UHFFFAOYSA-N -1 1 302.201 3.680 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H]1[C@@H]1CCCC1=O ZINC000272179770 130005490 /nfs/dbraw/zinc/00/54/90/130005490.db2.gz LHGXKEHEGRQFNH-RDJZCZTQSA-N -1 1 323.392 3.519 20 0 DHADMM O=C(c1ncccc1[O-])N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000275137221 130293512 /nfs/dbraw/zinc/29/35/12/130293512.db2.gz PXXAGTGIMFGSCW-BRWVUGGUSA-N -1 1 322.408 3.586 20 0 DHADMM Cc1noc(C)c1[N-]C(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000340265657 131307487 /nfs/dbraw/zinc/30/74/87/131307487.db2.gz VXKMFEXJGQVJJG-UHFFFAOYSA-N -1 1 317.732 3.852 20 0 DHADMM Cc1cnc([C@H](NC(=O)c2ccc(Cl)cc2[O-])C2CC2)s1 ZINC000173614431 332833763 /nfs/dbraw/zinc/83/37/63/332833763.db2.gz NMUYMJGBOLSXEN-CYBMUJFWSA-N -1 1 322.817 3.692 20 0 DHADMM Cc1cnc([C@@H](C)NC(=O)c2cc3ccccc3cc2[O-])s1 ZINC000176058024 332921895 /nfs/dbraw/zinc/92/18/95/332921895.db2.gz YMNSQSXZJPSFSW-LLVKDONJSA-N -1 1 312.394 3.801 20 0 DHADMM O=C(c1cncc([O-])c1)N1CCc2c1cccc2-c1ccccc1 ZINC000186452531 332927992 /nfs/dbraw/zinc/92/79/92/332927992.db2.gz WNUKTBKKFJQRRG-UHFFFAOYSA-N -1 1 316.360 3.657 20 0 DHADMM [O-]c1ccc(-c2noc(/C=C\c3ccc4c(c3)CCO4)n2)cc1F ZINC000445483169 332040014 /nfs/dbraw/zinc/04/00/14/332040014.db2.gz RMWQAIBEFUBVPF-KXFIGUGUSA-N -1 1 324.311 3.687 20 0 DHADMM CC[C@H](CSC)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000091150440 332062313 /nfs/dbraw/zinc/06/23/13/332062313.db2.gz REMTUIIZYKLVJU-CQSZACIVSA-N -1 1 303.427 3.759 20 0 DHADMM Cc1cc(F)c(Br)cc1NC(=O)c1ccccc1[O-] ZINC000235855844 332074844 /nfs/dbraw/zinc/07/48/44/332074844.db2.gz QTOTWPIVDDXLAZ-UHFFFAOYSA-N -1 1 324.149 3.855 20 0 DHADMM O=C(Nc1ccccc1CC(F)(F)F)c1cc(F)ccc1[O-] ZINC000091682453 332079785 /nfs/dbraw/zinc/07/97/85/332079785.db2.gz SEVGBEQDGAJXTD-UHFFFAOYSA-N -1 1 313.250 3.888 20 0 DHADMM CCn1nc(C)c(NC(=O)c2cc3ccccc3cc2[O-])c1C ZINC000091684367 332079866 /nfs/dbraw/zinc/07/98/66/332079866.db2.gz JULFLWIWWIWNOW-UHFFFAOYSA-N -1 1 309.369 3.631 20 0 DHADMM O=C([O-])[C@H](NCc1cc(Cl)ccc1F)c1cccc(F)c1 ZINC000426810491 332152070 /nfs/dbraw/zinc/15/20/70/332152070.db2.gz ZUOPMJFYCCUJMP-CQSZACIVSA-N -1 1 311.715 3.534 20 0 DHADMM CC(C)Oc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000426791351 332153995 /nfs/dbraw/zinc/15/39/95/332153995.db2.gz IANQUBIWLUDFGE-QGZVFWFLSA-N -1 1 317.360 3.528 20 0 DHADMM CCc1ccc([C@H](NCc2cccc(Cl)c2F)C(=O)[O-])cc1 ZINC000426813744 332157200 /nfs/dbraw/zinc/15/72/00/332157200.db2.gz ZEAKINSJQLMXRF-INIZCTEOSA-N -1 1 321.779 3.957 20 0 DHADMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2s1 ZINC000427112419 332168588 /nfs/dbraw/zinc/16/85/88/332168588.db2.gz ALDCMLQYYBLSAO-UHFFFAOYSA-N -1 1 318.423 3.714 20 0 DHADMM CC1(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCC1 ZINC000427280084 332192935 /nfs/dbraw/zinc/19/29/35/332192935.db2.gz KJZRXOJABQWVML-UHFFFAOYSA-N -1 1 314.259 3.523 20 0 DHADMM CC(C)(C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccccc1 ZINC000560314582 332329603 /nfs/dbraw/zinc/32/96/03/332329603.db2.gz UKHWDVXLZDIENA-UHFFFAOYSA-N -1 1 321.380 3.699 20 0 DHADMM CC[C@@H](C)Oc1cccc(NC(=O)c2ccc(O)cc2[O-])c1 ZINC000317869842 332493236 /nfs/dbraw/zinc/49/32/36/332493236.db2.gz WUEQXOARBUHXLT-LLVKDONJSA-N -1 1 301.342 3.527 20 0 DHADMM C[C@@H]1COCC[C@@H]1c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000562463489 332595382 /nfs/dbraw/zinc/59/53/82/332595382.db2.gz WHQAHLGTVYKKTF-YPMHNXCESA-N -1 1 310.353 3.735 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H](C(F)(F)F)C1 ZINC000171982776 332664675 /nfs/dbraw/zinc/66/46/75/332664675.db2.gz SVHPVNSKCROUOY-GFCCVEGCSA-N -1 1 323.314 3.960 20 0 DHADMM Cc1ccc2oc(C(=O)Nc3ccc(Cl)cc3[O-])cc2n1 ZINC000179193501 333024464 /nfs/dbraw/zinc/02/44/64/333024464.db2.gz UOKWZWNHOSVVPS-UHFFFAOYSA-N -1 1 302.717 3.748 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1C[C@H]2CCCC[C@@H]2C1 ZINC000180695028 333028560 /nfs/dbraw/zinc/02/85/60/333028560.db2.gz MPFGYDJZRGJTBJ-GHMZBOCLSA-N -1 1 313.319 3.673 20 0 DHADMM C[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)c1ccc(F)cc1 ZINC000188141350 333037799 /nfs/dbraw/zinc/03/77/99/333037799.db2.gz GUMKFNZMPCCYPC-SECBINFHSA-N -1 1 318.373 3.562 20 0 DHADMM O=C(NCCC[C@H]1CCCCO1)c1cc2ccccc2cc1[O-] ZINC000183482124 333058404 /nfs/dbraw/zinc/05/84/04/333058404.db2.gz SCOSSLFYKYQRMJ-MRXNPFEDSA-N -1 1 313.397 3.625 20 0 DHADMM CC[C@H]1CC[C@@H](C)N1C(=O)c1cc(Br)ccc1[O-] ZINC000221483030 333159228 /nfs/dbraw/zinc/15/92/28/333159228.db2.gz GYKKSFJPTLAFKL-KOLCDFICSA-N -1 1 312.207 3.558 20 0 DHADMM C[C@@H]1SCCN(C(=O)c2cc3ccccc3cc2[O-])[C@H]1C ZINC000118287780 333217461 /nfs/dbraw/zinc/21/74/61/333217461.db2.gz JJJMWAUMXJCHTO-RYUDHWBXSA-N -1 1 301.411 3.511 20 0 DHADMM [O-]c1ccc(F)cc1-c1nc(Cc2cccc(Cl)c2F)no1 ZINC000388448869 333308981 /nfs/dbraw/zinc/30/89/81/333308981.db2.gz IKZUWKBXWMPGPO-UHFFFAOYSA-N -1 1 322.698 3.965 20 0 DHADMM O=C(c1ncccc1[O-])N(Cc1ccc2ccccc2c1)C1CC1 ZINC000426641867 333511067 /nfs/dbraw/zinc/51/10/67/333511067.db2.gz CHVMWYRTNXVAMA-UHFFFAOYSA-N -1 1 318.376 3.745 20 0 DHADMM CCOc1ncccc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000436870041 334012877 /nfs/dbraw/zinc/01/28/77/334012877.db2.gz GJRJYVAERFRGOH-UHFFFAOYSA-N -1 1 317.732 3.556 20 0 DHADMM CC(C)[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccccc2)cc1F ZINC000414662311 334060942 /nfs/dbraw/zinc/06/09/42/334060942.db2.gz RIAPNZRHRXYYLJ-UHFFFAOYSA-N -1 1 301.361 3.788 20 0 DHADMM CC[C@H](C)N(CC(=O)[O-])Cc1ccc(-c2ccc(F)cc2)o1 ZINC000414687905 334069688 /nfs/dbraw/zinc/06/96/88/334069688.db2.gz XYKMUYSXXAOJJW-LBPRGKRZSA-N -1 1 305.349 3.771 20 0 DHADMM CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000276614113 334083720 /nfs/dbraw/zinc/08/37/20/334083720.db2.gz TVKKDMICLPZTNX-UHFFFAOYSA-N -1 1 304.415 3.698 20 0 DHADMM CC[C@@H]1C[C@@H](c2nc(-c3ccc([O-])cc3Cl)no2)CCO1 ZINC000278272118 334094181 /nfs/dbraw/zinc/09/41/81/334094181.db2.gz VSDMPBOTTFKIQA-GXSJLCMTSA-N -1 1 308.765 3.768 20 0 DHADMM COc1cc(C(=O)NCC2(CC(C)C)CC2)cc(Cl)c1[O-] ZINC000443075945 338443506 /nfs/dbraw/zinc/44/35/06/338443506.db2.gz SAYKKJQKFFJZLD-UHFFFAOYSA-N -1 1 311.809 3.610 20 0 DHADMM O=C(CCOc1ccc(F)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000111666178 334352774 /nfs/dbraw/zinc/35/27/74/334352774.db2.gz JBNCBCJYPLPBBU-UHFFFAOYSA-N -1 1 309.724 3.592 20 0 DHADMM CCc1ccccc1OCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111668111 334352930 /nfs/dbraw/zinc/35/29/30/334352930.db2.gz XYOJVCLJBXXRRL-UHFFFAOYSA-N -1 1 305.761 3.626 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H](c2ccccc2)C1 ZINC000050273064 334378151 /nfs/dbraw/zinc/37/81/51/334378151.db2.gz BFWDFGTWNPHNCH-ZDUSSCGKSA-N -1 1 301.773 3.675 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@@H](c2ccccc2)C1 ZINC000050273051 334378358 /nfs/dbraw/zinc/37/83/58/334378358.db2.gz XXPBRIKXWSJOOA-CYBMUJFWSA-N -1 1 301.773 3.675 20 0 DHADMM CCC[C@@H]1CCCCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000443132341 338445334 /nfs/dbraw/zinc/44/53/34/338445334.db2.gz LUSGASMQGUASIP-GFCCVEGCSA-N -1 1 311.809 3.849 20 0 DHADMM CC[C@H](CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1)OC ZINC000416907358 334684075 /nfs/dbraw/zinc/68/40/75/334684075.db2.gz MGPUJBWSPVEQFM-CYBMUJFWSA-N -1 1 304.415 3.675 20 0 DHADMM CCOCc1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000102320664 334720490 /nfs/dbraw/zinc/72/04/90/334720490.db2.gz WGKNQXNLNWFRSV-UHFFFAOYSA-N -1 1 319.426 3.641 20 0 DHADMM COc1cc(C(=O)Nc2c(C)cccc2OC)cc(Cl)c1[O-] ZINC000444457659 338473608 /nfs/dbraw/zinc/47/36/08/338473608.db2.gz CBNGKHHJCHDTDM-UHFFFAOYSA-N -1 1 321.760 3.624 20 0 DHADMM CC(=O)c1ccc(C(=O)[N-]c2c(F)cc(C(C)=O)cc2F)s1 ZINC000347101651 335470859 /nfs/dbraw/zinc/47/08/59/335470859.db2.gz XTKXAFZSLGAKNI-UHFFFAOYSA-N -1 1 323.320 3.684 20 0 DHADMM Cc1ccc(CCc2nc(-c3ccc([O-])c(F)c3)no2)c(C)c1 ZINC000445476331 338495995 /nfs/dbraw/zinc/49/59/95/338495995.db2.gz BFZYSZDKEZFMSR-UHFFFAOYSA-N -1 1 312.344 3.983 20 0 DHADMM O=C(Nc1c(F)cccc1N1CCCC1)c1cc(F)ccc1[O-] ZINC000094097908 335713017 /nfs/dbraw/zinc/71/30/17/335713017.db2.gz VMEHDHXGWDISOQ-UHFFFAOYSA-N -1 1 318.323 3.523 20 0 DHADMM CO[C@@](C)(C(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1F ZINC000192184741 336018249 /nfs/dbraw/zinc/01/82/49/336018249.db2.gz KSQDWOJNUSOIRX-MRXNPFEDSA-N -1 1 323.751 3.685 20 0 DHADMM [O-]c1cccnc1CN1CCc2cc(Cl)cc(Cl)c2C1 ZINC000583660735 336035239 /nfs/dbraw/zinc/03/52/39/336035239.db2.gz KMZSOPXSLNKOSQ-UHFFFAOYSA-N -1 1 309.196 3.652 20 0 DHADMM COc1cc(C(=O)N[C@@H]2CCC[C@@H](C)CC2)cc(Cl)c1[O-] ZINC000332345724 336169387 /nfs/dbraw/zinc/16/93/87/336169387.db2.gz QMUYOJSKDGJEOA-ZYHUDNBSSA-N -1 1 311.809 3.753 20 0 DHADMM Oc1cc(F)cc(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000351983452 336185806 /nfs/dbraw/zinc/18/58/06/336185806.db2.gz SALHKCBEDIQXOC-LBPRGKRZSA-N -1 1 307.315 3.799 20 0 DHADMM O=C(c1ncccc1[O-])N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000333976958 336214911 /nfs/dbraw/zinc/21/49/11/336214911.db2.gz YSFGLJHXHZFALJ-KRWDZBQOSA-N -1 1 308.381 3.545 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c(F)c1 ZINC000103057873 336237396 /nfs/dbraw/zinc/23/73/96/336237396.db2.gz JPNNBEHLTHEFSH-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM COc1cc(C(=O)Nc2ccccc2Cl)cc(Cl)c1[O-] ZINC000526943102 336275493 /nfs/dbraw/zinc/27/54/93/336275493.db2.gz PXAMLLVWLSAJII-UHFFFAOYSA-N -1 1 312.152 3.960 20 0 DHADMM CCc1nsc([N-]c2cnn(-c3ccccc3Cl)c2)n1 ZINC000301944310 336339276 /nfs/dbraw/zinc/33/92/76/336339276.db2.gz AJCRVQVPZZFIAX-UHFFFAOYSA-N -1 1 305.794 3.683 20 0 DHADMM Cc1csc([C@H](C)[N-]c2nc(-c3ccc(C)cc3)no2)n1 ZINC000302059428 336346051 /nfs/dbraw/zinc/34/60/51/336346051.db2.gz QUORRNCEVFXICI-NSHDSACASA-N -1 1 300.387 3.983 20 0 DHADMM COc1cc(C(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)cc(Cl)c1[O-] ZINC000356649183 336557087 /nfs/dbraw/zinc/55/70/87/336557087.db2.gz VBRJSCDPXXEVFG-VWYCJHECSA-N -1 1 311.809 3.561 20 0 DHADMM O=C(NCc1ccc2sccc2c1)c1c(F)ccc([O-])c1F ZINC000356661206 336557342 /nfs/dbraw/zinc/55/73/42/336557342.db2.gz CZWJCSGZYZMECR-UHFFFAOYSA-N -1 1 319.332 3.815 20 0 DHADMM Cc1noc(C)c1[N-]C(=O)c1c(F)cc(C(F)(F)F)cc1F ZINC000361717755 336769803 /nfs/dbraw/zinc/76/98/03/336769803.db2.gz QTDOKFNDOVDJBD-UHFFFAOYSA-N -1 1 320.217 3.841 20 0 DHADMM O=C(C[C@@H]1OCCc2ccccc21)Nc1ccc([O-])c(Cl)c1 ZINC000115729286 336827216 /nfs/dbraw/zinc/82/72/16/336827216.db2.gz DCVOYDPAXVGMJI-INIZCTEOSA-N -1 1 317.772 3.688 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@@H]2[C@H]1[C@H]2C(F)(F)F ZINC000371084030 336894143 /nfs/dbraw/zinc/89/41/43/336894143.db2.gz FQRBUWQKHPIHRJ-UBHSHLNASA-N -1 1 321.298 3.568 20 0 DHADMM CSc1ccc(C(=O)N2CC3(CC3)c3ccccc32)c([O-])c1 ZINC000373057756 336946799 /nfs/dbraw/zinc/94/67/99/336946799.db2.gz NKYTXTXYMWCNHB-UHFFFAOYSA-N -1 1 311.406 3.806 20 0 DHADMM CSc1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)cc1 ZINC000193482031 337005811 /nfs/dbraw/zinc/00/58/11/337005811.db2.gz PSDNTUBNHPRQKG-UHFFFAOYSA-N -1 1 318.423 3.691 20 0 DHADMM CC[C@H](Sc1nc(C(=O)OC)c[n-]1)c1ccc(F)cc1F ZINC000193538752 337077942 /nfs/dbraw/zinc/07/79/42/337077942.db2.gz UFZJBWSEEWXZJP-LBPRGKRZSA-N -1 1 312.341 3.718 20 0 DHADMM O=C([N-]c1cc(F)c(F)cc1F)c1cc(-c2ccco2)on1 ZINC000171534075 337087883 /nfs/dbraw/zinc/08/78/83/337087883.db2.gz CZTRTZXCLHTVPE-UHFFFAOYSA-N -1 1 308.215 3.604 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)C(=O)c1ccc(Cl)cc1 ZINC000182863432 337190505 /nfs/dbraw/zinc/19/05/05/337190505.db2.gz DWEVBJQGNNESEY-UHFFFAOYSA-N -1 1 310.136 3.520 20 0 DHADMM CCOc1cc(C(=O)N2[C@H](C)CCC[C@H]2C)cc(Cl)c1[O-] ZINC000186780590 337259515 /nfs/dbraw/zinc/25/95/15/337259515.db2.gz GANFNLALCZJRSG-GHMZBOCLSA-N -1 1 311.809 3.847 20 0 DHADMM C[C@H](Oc1ccccc1F)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000583863624 337354989 /nfs/dbraw/zinc/35/49/89/337354989.db2.gz VNXGTQOORDFISR-VIFPVBQESA-N -1 1 309.724 3.591 20 0 DHADMM CSc1cncc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000421230927 337525331 /nfs/dbraw/zinc/52/53/31/337525331.db2.gz IOZHAJBAXXUVHH-UHFFFAOYSA-N -1 1 322.455 3.530 20 0 DHADMM C[C@H](CCNC(=O)c1c(F)ccc([O-])c1F)c1ccccc1 ZINC000571923725 337582037 /nfs/dbraw/zinc/58/20/37/337582037.db2.gz FQDOOLPJJHPOKQ-LLVKDONJSA-N -1 1 305.324 3.594 20 0 DHADMM CCc1nc(S[C@H](C)c2cccc(OC)c2)[n-]c(=O)c1C ZINC000572258498 337600315 /nfs/dbraw/zinc/60/03/15/337600315.db2.gz POWSCYADNUFNBJ-LLVKDONJSA-N -1 1 304.415 3.915 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCC(C)C)c2)cc1 ZINC000515631837 337994102 /nfs/dbraw/zinc/99/41/02/337994102.db2.gz BSZGRKGWBIYNSN-UHFFFAOYSA-N -1 1 319.426 3.831 20 0 DHADMM Cc1ccccc1Cc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445450703 338015531 /nfs/dbraw/zinc/01/55/31/338015531.db2.gz VILHKEZRBQBNKN-UHFFFAOYSA-N -1 1 300.745 3.995 20 0 DHADMM CCc1ccccc1OCc1nc(-c2ccc([O-])cc2F)no1 ZINC000445452365 338016548 /nfs/dbraw/zinc/01/65/48/338016548.db2.gz BNAUBZNNZVUODX-UHFFFAOYSA-N -1 1 314.316 3.723 20 0 DHADMM C[C@@H](COc1ccccc1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445454966 338017192 /nfs/dbraw/zinc/01/71/92/338017192.db2.gz BPCNFJIDQNAYHB-NSHDSACASA-N -1 1 314.316 3.764 20 0 DHADMM C[C@H](c1nc(-c2ccc([O-])cc2F)no1)c1ccccc1F ZINC000445455193 338017347 /nfs/dbraw/zinc/01/73/47/338017347.db2.gz OFLYEGVKRXUYIE-VIFPVBQESA-N -1 1 302.280 3.872 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3c[nH]c4ccccc34)n2)c(F)c1 ZINC000445455456 338017361 /nfs/dbraw/zinc/01/73/61/338017361.db2.gz KNNABONFXRQYRQ-UHFFFAOYSA-N -1 1 309.300 3.653 20 0 DHADMM Cc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)c(O)c1C ZINC000445457408 338017630 /nfs/dbraw/zinc/01/76/30/338017630.db2.gz RSDPVNZEJWYAIM-UHFFFAOYSA-N -1 1 300.289 3.571 20 0 DHADMM Cc1ncc(/C=C/c2nc(-c3ccc([O-])cc3F)no2)s1 ZINC000445458800 338018185 /nfs/dbraw/zinc/01/81/85/338018185.db2.gz ZRIIFTPQAFDDJZ-HWKANZROSA-N -1 1 303.318 3.517 20 0 DHADMM CC(=O)c1ccc(-c2nc(-c3ccc([O-])cc3F)no2)c(F)c1 ZINC000445460781 338020753 /nfs/dbraw/zinc/02/07/53/338020753.db2.gz STEKVQBMOQPKRJ-UHFFFAOYSA-N -1 1 316.263 3.590 20 0 DHADMM [O-]c1ccc(-c2noc(-c3ccc(OC(F)F)cc3)n2)c(F)c1 ZINC000445463103 338029140 /nfs/dbraw/zinc/02/91/40/338029140.db2.gz NLIRURDKRWOERI-UHFFFAOYSA-N -1 1 322.242 3.850 20 0 DHADMM O=C([O-])C[C@H](NCc1cc2ccccc2o1)c1ccsc1 ZINC000426683106 338037968 /nfs/dbraw/zinc/03/79/68/338037968.db2.gz ORYQVBMFWZXYIY-AWEZNQCLSA-N -1 1 301.367 3.800 20 0 DHADMM O=C([O-])[C@@H](Cc1ccccc1)NCc1ccc(-c2ccccc2)o1 ZINC000426688780 338038202 /nfs/dbraw/zinc/03/82/02/338038202.db2.gz SCRMTZMINKGNHA-GOSISDBHSA-N -1 1 321.376 3.732 20 0 DHADMM O=C([O-])C[C@H](NCc1cc(F)cc(Cl)c1)c1ccsc1 ZINC000426688611 338038278 /nfs/dbraw/zinc/03/82/78/338038278.db2.gz WCCJLZSUANXPIU-ZDUSSCGKSA-N -1 1 313.781 3.846 20 0 DHADMM O=C([O-])[C@@H](NC/C=C\c1ccc(F)cc1)c1c(F)cccc1F ZINC000426733830 338039834 /nfs/dbraw/zinc/03/98/34/338039834.db2.gz OFPVNQZHQGCTCF-YPQKKHBXSA-N -1 1 321.298 3.533 20 0 DHADMM O=C([O-])[C@H](NCc1cc(F)cc(F)c1)c1cccc(Cl)c1 ZINC000426737856 338039976 /nfs/dbraw/zinc/03/99/76/338039976.db2.gz QWASKHCNGGYWRD-CQSZACIVSA-N -1 1 311.715 3.534 20 0 DHADMM C[C@H](C(=O)[O-])[C@H](NCc1ccsc1Cl)c1ccccc1 ZINC000426753090 338040715 /nfs/dbraw/zinc/04/07/15/338040715.db2.gz GTABETUINHGNPB-GWCFXTLKSA-N -1 1 309.818 3.953 20 0 DHADMM Cc1ccc(F)c(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c1 ZINC000426759827 338041108 /nfs/dbraw/zinc/04/11/08/338041108.db2.gz XRBDVZISFJGOBJ-QGZVFWFLSA-N -1 1 301.361 3.666 20 0 DHADMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)s1 ZINC000431149658 338124200 /nfs/dbraw/zinc/12/42/00/338124200.db2.gz CHFWHSYZKVQXHZ-UHFFFAOYSA-N -1 1 321.345 3.583 20 0 DHADMM CSc1ccc(S(=O)(=O)[N-]c2cc(C)cc(F)c2)cc1 ZINC000432221275 338148938 /nfs/dbraw/zinc/14/89/38/338148938.db2.gz MNSJKDMKUDVJJA-UHFFFAOYSA-N -1 1 311.403 3.657 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)cc(C)c1F ZINC000432651659 338161721 /nfs/dbraw/zinc/16/17/21/338161721.db2.gz IXBNMTRAGSQXOV-UHFFFAOYSA-N -1 1 318.373 3.725 20 0 DHADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(CC)c2)cc1F ZINC000433503510 338195970 /nfs/dbraw/zinc/19/59/70/338195970.db2.gz VKPOTZIXYLPALN-UHFFFAOYSA-N -1 1 323.389 3.588 20 0 DHADMM COc1cc(C)c([N-]S(=O)(=O)c2cc(F)ccc2C)cc1C ZINC000435721360 338246148 /nfs/dbraw/zinc/24/61/48/338246148.db2.gz IDCVCKGILDBHFO-UHFFFAOYSA-N -1 1 323.389 3.560 20 0 DHADMM COc1cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)ccc1F ZINC000436155213 338259793 /nfs/dbraw/zinc/25/97/93/338259793.db2.gz PIFVLYOKAQTNMT-UHFFFAOYSA-N -1 1 323.389 3.759 20 0 DHADMM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000436480055 338273620 /nfs/dbraw/zinc/27/36/20/338273620.db2.gz UVVPZORPAJMGCV-UHFFFAOYSA-N -1 1 311.765 3.923 20 0 DHADMM O=S(=O)(CCCCF)[N-]c1ccccc1Oc1ccccc1 ZINC000436478049 338273672 /nfs/dbraw/zinc/27/36/72/338273672.db2.gz LFFZPTVHJIQALK-UHFFFAOYSA-N -1 1 323.389 3.970 20 0 DHADMM O=C(Nc1ccc2ccc(Cl)cc2n1)c1ccc(O)cc1[O-] ZINC000436491304 338274173 /nfs/dbraw/zinc/27/41/73/338274173.db2.gz WNHFORRAIISSDG-UHFFFAOYSA-N -1 1 314.728 3.552 20 0 DHADMM CC[C@@H](NC(=O)c1c([O-])cccc1F)c1cc(F)ccc1F ZINC000436496423 338274279 /nfs/dbraw/zinc/27/42/79/338274279.db2.gz ZHGIIRVDYMQUPW-CYBMUJFWSA-N -1 1 309.287 3.691 20 0 DHADMM O=C(NC1(c2cccc(Cl)c2)CC1)c1c([O-])cccc1F ZINC000436511376 338274578 /nfs/dbraw/zinc/27/45/78/338274578.db2.gz IXQDDJNAPJZJES-UHFFFAOYSA-N -1 1 305.736 3.604 20 0 DHADMM CCc1nc([C@H](C)NC(=O)c2ccc(Cl)cc2[O-])cs1 ZINC000436547560 338276451 /nfs/dbraw/zinc/27/64/51/338276451.db2.gz RLUNPWZGHITQKY-QMMMGPOBSA-N -1 1 310.806 3.556 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000436552131 338276650 /nfs/dbraw/zinc/27/66/50/338276650.db2.gz BPZQNOMHYIYZTO-GFCCVEGCSA-N -1 1 319.763 3.814 20 0 DHADMM CC(C)(C)c1csc(CNC(=O)c2cc(Cl)ccc2[O-])n1 ZINC000436566824 338277500 /nfs/dbraw/zinc/27/75/00/338277500.db2.gz MXOLMOMKRVESJH-UHFFFAOYSA-N -1 1 324.833 3.730 20 0 DHADMM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000436567255 338277518 /nfs/dbraw/zinc/27/75/18/338277518.db2.gz ZSEAJVIXNKKCKJ-KCJUWKMLSA-N -1 1 321.726 3.849 20 0 DHADMM O=C(Nc1cccc(CC(F)(F)F)c1)c1cc(F)ccc1[O-] ZINC000436571060 338277669 /nfs/dbraw/zinc/27/76/69/338277669.db2.gz BXHJZNGFTMNMMR-UHFFFAOYSA-N -1 1 313.250 3.888 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2ccc(-c3ncon3)cc2)c([O-])c1 ZINC000436571487 338277702 /nfs/dbraw/zinc/27/77/02/338277702.db2.gz VVINKLBHGSUPFI-UHFFFAOYSA-N -1 1 323.352 3.818 20 0 DHADMM O=C(Nc1cccc(Oc2ccccn2)c1)c1cc(F)ccc1[O-] ZINC000436577080 338277945 /nfs/dbraw/zinc/27/79/45/338277945.db2.gz RBPYXFUJKKRDKZ-UHFFFAOYSA-N -1 1 324.311 3.971 20 0 DHADMM CC(C)[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])CCS1 ZINC000436575772 338278012 /nfs/dbraw/zinc/27/80/12/338278012.db2.gz PATTURBDWWNOGO-KRWDZBQOSA-N -1 1 315.438 3.759 20 0 DHADMM [O-]c1ccc(F)cc1-c1nc(Cc2cc3ccccc3o2)no1 ZINC000436582918 338278383 /nfs/dbraw/zinc/27/83/83/338278383.db2.gz JDAQCWLHVBKQDI-UHFFFAOYSA-N -1 1 310.284 3.918 20 0 DHADMM Cc1cc(NC(=O)c2ccc(O)cc2[O-])c2cccnc2c1C ZINC000436615460 338280203 /nfs/dbraw/zinc/28/02/03/338280203.db2.gz ATUQYZCAMAFCRJ-UHFFFAOYSA-N -1 1 308.337 3.515 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000436626421 338280445 /nfs/dbraw/zinc/28/04/45/338280445.db2.gz IQBAQNCVWLWHAX-XAVKZTDYSA-N -1 1 311.356 3.849 20 0 DHADMM Cc1cc2c(cc1NC(=O)c1cc3ccccc3cc1[O-])OCO2 ZINC000436658569 338281882 /nfs/dbraw/zinc/28/18/82/338281882.db2.gz OKWDRHWZLXPJAF-UHFFFAOYSA-N -1 1 321.332 3.835 20 0 DHADMM C[C@H](NC(=O)C(=O)c1ccc([O-])cc1)c1cccc2ccccc21 ZINC000436663701 338282056 /nfs/dbraw/zinc/28/20/56/338282056.db2.gz GPNLMKYPRQUXNA-ZDUSSCGKSA-N -1 1 319.360 3.606 20 0 DHADMM [O-]c1ccc(-c2nc(-c3ccc(OC(F)F)cc3)no2)c(F)c1 ZINC000436691149 338282938 /nfs/dbraw/zinc/28/29/38/338282938.db2.gz SAEKFDUSNAFMFF-UHFFFAOYSA-N -1 1 322.242 3.850 20 0 DHADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccncc1F ZINC000436692927 338283106 /nfs/dbraw/zinc/28/31/06/338283106.db2.gz YYSFHLHJZSPTFJ-LLVKDONJSA-N -1 1 310.328 3.571 20 0 DHADMM O=C(N[C@H]1CCc2c1cccc2F)c1cc(Cl)ccc1[O-] ZINC000436693947 338283146 /nfs/dbraw/zinc/28/31/46/338283146.db2.gz XJBBKQVVSGOFBF-AWEZNQCLSA-N -1 1 305.736 3.602 20 0 DHADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1cncc(F)c1 ZINC000436713875 338283776 /nfs/dbraw/zinc/28/37/76/338283776.db2.gz KLIOZKFMOHZKTR-NSHDSACASA-N -1 1 310.328 3.571 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@H](CC2CC2)C1 ZINC000436715024 338283915 /nfs/dbraw/zinc/28/39/15/338283915.db2.gz KMHLHINDOVWAGU-LLVKDONJSA-N -1 1 313.319 3.673 20 0 DHADMM Cc1nc(-c2cccc(NC(=O)c3ccccc3[O-])c2)oc1C ZINC000436720159 338284073 /nfs/dbraw/zinc/28/40/73/338284073.db2.gz CQUREXTXYMIKHX-UHFFFAOYSA-N -1 1 308.337 3.916 20 0 DHADMM Cc1ccc(OCCN(C)C(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000436722741 338284105 /nfs/dbraw/zinc/28/41/05/338284105.db2.gz LSPTXEHZQJZRBU-UHFFFAOYSA-N -1 1 319.788 3.505 20 0 DHADMM CCN(CCc1cccs1)C(=O)c1cc(Cl)ccc1[O-] ZINC000436741193 338284975 /nfs/dbraw/zinc/28/49/75/338284975.db2.gz SDDRLBHCALMZQI-UHFFFAOYSA-N -1 1 309.818 3.812 20 0 DHADMM CC(=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC000436761837 338286154 /nfs/dbraw/zinc/28/61/54/338286154.db2.gz ACVFPKWYFCYFGR-UHFFFAOYSA-N -1 1 323.270 3.866 20 0 DHADMM O=C(N[C@H]1C[C@H](c2ccccc2Cl)C1)c1ccc([O-])cc1F ZINC000436782899 338287137 /nfs/dbraw/zinc/28/71/37/338287137.db2.gz DQDNBYWFLFULPA-XYPYZODXSA-N -1 1 319.763 3.861 20 0 DHADMM CCCOc1ccc(Cl)cc1NC(=O)c1ccc(O)cc1[O-] ZINC000436781016 338287161 /nfs/dbraw/zinc/28/71/61/338287161.db2.gz ANWNOJCMKSMLCB-UHFFFAOYSA-N -1 1 321.760 3.792 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2cccc(N3CCC3=O)c2)c([O-])c1 ZINC000436805039 338287902 /nfs/dbraw/zinc/28/79/02/338287902.db2.gz CRJYSSGDDMWAAJ-UHFFFAOYSA-N -1 1 324.380 3.505 20 0 DHADMM CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1(C)CCCC1 ZINC000436831403 338289022 /nfs/dbraw/zinc/28/90/22/338289022.db2.gz FZSMWKDYQHPNQJ-UHFFFAOYSA-N -1 1 301.308 3.816 20 0 DHADMM Cc1ccc(C)c(CN(C)C(=O)c2cc(Cl)ccc2[O-])c1 ZINC000436843565 338289663 /nfs/dbraw/zinc/28/96/63/338289663.db2.gz IQQNLUZIQLAGMR-UHFFFAOYSA-N -1 1 303.789 3.935 20 0 DHADMM CCCc1nc(-c2nc(-c3ccc([O-])cc3Cl)no2)co1 ZINC000436870123 338290857 /nfs/dbraw/zinc/29/08/57/338290857.db2.gz OSSISEAXYVLXMH-UHFFFAOYSA-N -1 1 305.721 3.703 20 0 DHADMM [O-]c1ccc(-c2noc(C(F)(F)Cc3ccccc3)n2)c(F)c1 ZINC000436871804 338290966 /nfs/dbraw/zinc/29/09/66/338290966.db2.gz ILRNKWAKENOKFI-UHFFFAOYSA-N -1 1 320.270 3.916 20 0 DHADMM COc1ccc(-c2nc(-c3ccc4[nH]ccc4c3)no2)c([O-])c1 ZINC000436888506 338291899 /nfs/dbraw/zinc/29/18/99/338291899.db2.gz NMAVXUPODNRZGC-UHFFFAOYSA-N -1 1 307.309 3.599 20 0 DHADMM [O-]c1ccc(F)cc1-c1nc(Cc2cccc3cccnc32)no1 ZINC000436889213 338292010 /nfs/dbraw/zinc/29/20/10/338292010.db2.gz VKBUEJSZHYALMT-UHFFFAOYSA-N -1 1 321.311 3.720 20 0 DHADMM CC[C@H]1CC[C@H](NC(=O)c2cc(Cl)c([O-])c(OC)c2)CC1 ZINC000436891476 338292082 /nfs/dbraw/zinc/29/20/82/338292082.db2.gz GEDVYDKOLUFBIP-UMSPYCQHSA-N -1 1 311.809 3.753 20 0 DHADMM [O-]c1ccc(Cl)cc1-c1nc(-c2ccc3[nH]cnc3c2)no1 ZINC000436936255 338294411 /nfs/dbraw/zinc/29/44/11/338294411.db2.gz AJLXCAPMYSDJAK-UHFFFAOYSA-N -1 1 312.716 3.639 20 0 DHADMM [O-]c1ccc(F)cc1-c1nc(-c2cccc3cnccc32)no1 ZINC000436938857 338294664 /nfs/dbraw/zinc/29/46/64/338294664.db2.gz NLHCVLXEWSLZTG-UHFFFAOYSA-N -1 1 307.284 3.797 20 0 DHADMM O=C(N[C@@H]1CCc2c1cccc2Cl)c1c([O-])cccc1F ZINC000436944496 338295127 /nfs/dbraw/zinc/29/51/27/338295127.db2.gz MRFTYJJUONZSPC-CYBMUJFWSA-N -1 1 305.736 3.602 20 0 DHADMM CC(C)Oc1ccc([C@H](C)NC(=O)c2c([O-])cccc2F)cc1 ZINC000436947900 338295316 /nfs/dbraw/zinc/29/53/16/338295316.db2.gz VREHOKWPBLJRMM-LBPRGKRZSA-N -1 1 317.360 3.810 20 0 DHADMM CC(C)Oc1cccc([C@@H](C)NC(=O)c2c([O-])cccc2F)c1 ZINC000436948567 338295331 /nfs/dbraw/zinc/29/53/31/338295331.db2.gz XADHYMUHJHVUJC-GFCCVEGCSA-N -1 1 317.360 3.810 20 0 DHADMM Cc1c(NC(=O)c2ccc3ccccc3c2[O-])cnn1CC(C)C ZINC000436968039 338296274 /nfs/dbraw/zinc/29/62/74/338296274.db2.gz UNTPAZOSALOROR-UHFFFAOYSA-N -1 1 323.396 3.959 20 0 DHADMM CC(C)Oc1cc(F)ccc1NC(=O)c1ccc([O-])cc1F ZINC000436969126 338296309 /nfs/dbraw/zinc/29/63/09/338296309.db2.gz XJVNGIKZKKGRTB-UHFFFAOYSA-N -1 1 307.296 3.710 20 0 DHADMM CCN(CCC1CC1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436977080 338296456 /nfs/dbraw/zinc/29/64/56/338296456.db2.gz CYVHIQFRMIZSNJ-UHFFFAOYSA-N -1 1 301.308 3.673 20 0 DHADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc2ccoc2c1 ZINC000442853171 338434791 /nfs/dbraw/zinc/43/47/91/338434791.db2.gz ULHVAHSZOXVLHQ-UHFFFAOYSA-N -1 1 301.367 3.796 20 0 DHADMM CCCC[C@@H](CCC)NC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000450107940 338667411 /nfs/dbraw/zinc/66/74/11/338667411.db2.gz ZFHAXOHFJDCOPL-CYBMUJFWSA-N -1 1 321.465 3.877 20 0 DHADMM COc1cccc([C@@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)c1 ZINC000470439584 339319781 /nfs/dbraw/zinc/31/97/81/339319781.db2.gz XBUCZKHOYGONGH-SNVBAGLBSA-N -1 1 302.399 3.922 20 0 DHADMM Cc1ccc2c(c1)CC[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)O2 ZINC000476451313 339476625 /nfs/dbraw/zinc/47/66/25/339476625.db2.gz XRVROWLQAQZROT-MRXNPFEDSA-N -1 1 317.772 3.686 20 0 DHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc3c2CCO3)c1 ZINC000478681486 339520478 /nfs/dbraw/zinc/52/04/78/339520478.db2.gz YMDRXXRLFLBYGD-UHFFFAOYSA-N -1 1 317.410 3.546 20 0 DHADMM CCC1([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CCC1 ZINC000479228141 339529439 /nfs/dbraw/zinc/52/94/39/339529439.db2.gz RAZFEQXWTVONLI-UHFFFAOYSA-N -1 1 314.259 3.666 20 0 DHADMM Cc1ccc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)c(C)n1 ZINC000479230137 339529457 /nfs/dbraw/zinc/52/94/57/339529457.db2.gz WIZBAJQSQYYPTF-UHFFFAOYSA-N -1 1 315.320 3.505 20 0 DHADMM Cc1coc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc12 ZINC000479556355 339541003 /nfs/dbraw/zinc/54/10/03/339541003.db2.gz VCWADMMWNMUYPS-UHFFFAOYSA-N -1 1 301.367 3.850 20 0 DHADMM CC[C@H](C)Oc1ccc(-c2nc3ccc(OC)cc3c(=O)[n-]2)cc1 ZINC000481196675 339598313 /nfs/dbraw/zinc/59/83/13/339598313.db2.gz KAUCKRYOQRXSPQ-LBPRGKRZSA-N -1 1 324.380 3.776 20 0 DHADMM CCCC1(C(=O)Nc2cc(C)cc(Br)c2[O-])CC1 ZINC000482540652 339635109 /nfs/dbraw/zinc/63/51/09/339635109.db2.gz YFQMWNHVUYMWKV-UHFFFAOYSA-N -1 1 312.207 3.982 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c1 ZINC000482675331 339639631 /nfs/dbraw/zinc/63/96/31/339639631.db2.gz PZDIOOVXBRNGTB-IWIIMEHWSA-N -1 1 324.218 3.838 20 0 DHADMM COc1cc(C(=O)N2c3ccccc3C[C@H]2C)cc(Cl)c1[O-] ZINC000505139192 340162529 /nfs/dbraw/zinc/16/25/29/340162529.db2.gz BMRGPGHXSODKEZ-SNVBAGLBSA-N -1 1 317.772 3.646 20 0 DHADMM O=C(Nc1cccc(C(F)(F)F)c1)c1c(F)ccc([O-])c1F ZINC000507833091 340233626 /nfs/dbraw/zinc/23/36/26/340233626.db2.gz JEEKMANUGUKNJZ-UHFFFAOYSA-N -1 1 317.213 3.942 20 0 DHADMM [O-]c1cccc(CN2CCO[C@@H](c3ccccc3F)C2)c1Cl ZINC000508171733 340240072 /nfs/dbraw/zinc/24/00/72/340240072.db2.gz AXBIFQJVRTWIOX-MRXNPFEDSA-N -1 1 321.779 3.758 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2ccc3scnc3c2)cc1 ZINC000509537533 340272769 /nfs/dbraw/zinc/27/27/69/340272769.db2.gz DYXJGNJUHVWQSQ-UHFFFAOYSA-N -1 1 318.423 3.660 20 0 DHADMM C[C@@H](CC1CCCCC1)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000511164322 340323039 /nfs/dbraw/zinc/32/30/39/340323039.db2.gz GPCKPAJUQNLRBR-NSHDSACASA-N -1 1 302.378 3.610 20 0 DHADMM CCc1ccc(C(=O)CSc2nc(CC)c(C)c(=O)[n-]2)cc1 ZINC000516784909 340455778 /nfs/dbraw/zinc/45/57/78/340455778.db2.gz DAKSVTKBMULDKE-UHFFFAOYSA-N -1 1 316.426 3.590 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)c2cccc(F)c2)c1 ZINC000182929827 340485857 /nfs/dbraw/zinc/48/58/57/340485857.db2.gz UGXOUDCJMDRNPR-UHFFFAOYSA-N -1 1 324.149 3.855 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2cccc3c2ccn3C)cc1 ZINC000524018703 340645914 /nfs/dbraw/zinc/64/59/14/340645914.db2.gz NVOWZBGPTQMDEK-UHFFFAOYSA-N -1 1 314.410 3.542 20 0 DHADMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000525331133 340700518 /nfs/dbraw/zinc/70/05/18/340700518.db2.gz GKYRKNVJTSDRHD-UHFFFAOYSA-N -1 1 312.394 3.652 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])c1coc(C2CCCCC2)n1 ZINC000530005939 340776019 /nfs/dbraw/zinc/77/60/19/340776019.db2.gz OSUAJIZAKRAHEA-UHFFFAOYSA-N -1 1 304.321 3.819 20 0 DHADMM Cc1cccc(O[C@H](C)C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000129638309 340978011 /nfs/dbraw/zinc/97/80/11/340978011.db2.gz ZRFIANJHQDILCS-LLVKDONJSA-N -1 1 305.761 3.760 20 0 DHADMM COc1cc(C(=O)Nc2cccc(Cl)c2)cc(Cl)c1[O-] ZINC000545886345 341144181 /nfs/dbraw/zinc/14/41/81/341144181.db2.gz NMNPHOMQSQBDPZ-UHFFFAOYSA-N -1 1 312.152 3.960 20 0 DHADMM CCO[C@@H](C)c1ncc(C(=O)[N-]c2c(C)noc2C2CC2)s1 ZINC000545919872 341146106 /nfs/dbraw/zinc/14/61/06/341146106.db2.gz QWDTUQPTQWDQIW-VIFPVBQESA-N -1 1 321.402 3.667 20 0 DHADMM [O-]c1ccc(F)cc1-c1nc(Cc2ccccc2Cl)no1 ZINC000132986194 341151089 /nfs/dbraw/zinc/15/10/89/341151089.db2.gz ZXJWABPBOQXGHP-UHFFFAOYSA-N -1 1 304.708 3.826 20 0 DHADMM COc1cc(C(=O)N2CCCc3ccccc32)cc(Cl)c1[O-] ZINC000546593147 341173809 /nfs/dbraw/zinc/17/38/09/341173809.db2.gz CEFHRPLDPUPWDE-UHFFFAOYSA-N -1 1 317.772 3.647 20 0 DHADMM CC[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])CCS1 ZINC000075385637 341175116 /nfs/dbraw/zinc/17/51/16/341175116.db2.gz LSNZXBNPEGXAEZ-AWEZNQCLSA-N -1 1 301.411 3.513 20 0 DHADMM C[C@@H](CS(=O)(=O)[N-]c1cc(F)cc(F)c1)c1ccccc1 ZINC000133442411 341175318 /nfs/dbraw/zinc/17/53/18/341175318.db2.gz IBMUFGLTDWEWTC-NSHDSACASA-N -1 1 311.353 3.510 20 0 DHADMM Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c1 ZINC000076195253 341203821 /nfs/dbraw/zinc/20/38/21/341203821.db2.gz POLRWADQBOJUOQ-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCc2ccsc2C1 ZINC000134046772 341205281 /nfs/dbraw/zinc/20/52/81/341205281.db2.gz JRBHODHMGUCODI-UHFFFAOYSA-N -1 1 309.390 3.805 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCc2ccsc2C1 ZINC000134073799 341205831 /nfs/dbraw/zinc/20/58/31/341205831.db2.gz UUKRKXSDLYJJQE-UHFFFAOYSA-N -1 1 309.390 3.805 20 0 DHADMM CSCC[C@H](C)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000134357693 341213899 /nfs/dbraw/zinc/21/38/99/341213899.db2.gz GTAOFRQWGLTZKU-LBPRGKRZSA-N -1 1 303.427 3.759 20 0 DHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1C ZINC000134773960 341223693 /nfs/dbraw/zinc/22/36/93/341223693.db2.gz XESNCFUUJCLJFH-UHFFFAOYSA-N -1 1 317.410 3.615 20 0 DHADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000135391691 341238479 /nfs/dbraw/zinc/23/84/79/341238479.db2.gz RHGZHQILHOSSJJ-UHFFFAOYSA-N -1 1 323.801 3.734 20 0 DHADMM C[C@H](Cn1ccc2ccccc21)C(=O)Nc1ccc(F)cc1[O-] ZINC000552134382 341372312 /nfs/dbraw/zinc/37/23/12/341372312.db2.gz AFHCIIBGGZBKRZ-GFCCVEGCSA-N -1 1 312.344 3.761 20 0 DHADMM O=C(NCc1ccc2ccccc2c1)c1c(F)ccc([O-])c1F ZINC000552896306 341408186 /nfs/dbraw/zinc/40/81/86/341408186.db2.gz GSQDJTALMJQPNI-UHFFFAOYSA-N -1 1 313.303 3.754 20 0 DHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC(C)(C)C(C)(C)C ZINC000554378692 341452644 /nfs/dbraw/zinc/45/26/44/341452644.db2.gz BACNDDADSSKDIW-UHFFFAOYSA-N -1 1 321.465 3.590 20 0 DHADMM CC[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)c1ccccc1 ZINC000554944591 341469993 /nfs/dbraw/zinc/46/99/93/341469993.db2.gz UHNAPXSIAGQXMV-NSHDSACASA-N -1 1 324.352 3.873 20 0 DHADMM CCOc1cccc(Cl)c1CSc1ncc(C)c(=O)[n-]1 ZINC000566498452 341560158 /nfs/dbraw/zinc/56/01/58/341560158.db2.gz GYYPISDJQLTMRU-UHFFFAOYSA-N -1 1 310.806 3.835 20 0 DHADMM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](C)c3ccccc32)c1 ZINC000121880587 519728362 /nfs/dbraw/zinc/72/83/62/519728362.db2.gz HLIBAFIAGOVZFD-GFCCVEGCSA-N -1 1 324.380 3.505 20 0 DHADMM CCN(C(=O)c1cncc([O-])c1)[C@@H](C)c1cc2ccccc2o1 ZINC000111578773 520117975 /nfs/dbraw/zinc/11/79/75/520117975.db2.gz XHTRPELUYCQYEV-LBPRGKRZSA-N -1 1 310.353 3.757 20 0 DHADMM CC1(C)CCC[C@@H](C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)C1 ZINC000339588056 520338576 /nfs/dbraw/zinc/33/85/76/520338576.db2.gz VCIDNEZIQXVUOR-CYBMUJFWSA-N -1 1 313.401 3.937 20 0 DHADMM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1cncc([O-])c1 ZINC000264904193 526067034 /nfs/dbraw/zinc/06/70/34/526067034.db2.gz XRHFOHUJTTZFBF-JTQLQIEISA-N -1 1 324.302 3.639 20 0 DHADMM O=c1cc(C2CC2)nc(SCc2csc(C3CC3)n2)[n-]1 ZINC000191505534 526332378 /nfs/dbraw/zinc/33/23/78/526332378.db2.gz KNSOBMJDDHVRFG-UHFFFAOYSA-N -1 1 305.428 3.686 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1c1nccs1 ZINC000364250986 526733682 /nfs/dbraw/zinc/73/36/82/526733682.db2.gz MJEIGEPFWNTWCU-OAHLLOKOSA-N -1 1 324.405 3.979 20 0 DHADMM Cn1ccc2ccc(NCc3cccc([O-])c3Cl)cc2c1=O ZINC000339397834 527374984 /nfs/dbraw/zinc/37/49/84/527374984.db2.gz SRLKYPORGPGTDF-UHFFFAOYSA-N -1 1 314.772 3.510 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])c1scnc1C1CCCC1 ZINC000189850757 527508701 /nfs/dbraw/zinc/50/87/01/527508701.db2.gz IWEGXUSKHFMHFC-UHFFFAOYSA-N -1 1 323.805 3.807 20 0 DHADMM C[C@@H](c1ccc(Cl)cc1Cl)N1CCC(C(=O)[O-])CC1 ZINC000086727282 596917001 /nfs/dbraw/zinc/91/70/01/596917001.db2.gz OHBHXJVFNOHFOR-VIFPVBQESA-N -1 1 302.201 3.851 20 0 DHADMM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1nc2ccccc2s1 ZINC000818053728 597244543 /nfs/dbraw/zinc/24/45/43/597244543.db2.gz UBQMBRSJZQHFIM-NSHDSACASA-N -1 1 312.394 3.845 20 0 DHADMM Cc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1Cl ZINC000822255119 607308262 /nfs/dbraw/zinc/30/82/62/607308262.db2.gz WDHIHYRSUNRKNX-UHFFFAOYSA-N -1 1 305.794 3.502 20 0 DHADMM CCn1c2ccccc2nc1[C@H](C)NCc1ccc(C(=O)[O-])cc1 ZINC000263435315 598170938 /nfs/dbraw/zinc/17/09/38/598170938.db2.gz UHEBLDNJLLTWNY-ZDUSSCGKSA-N -1 1 323.396 3.605 20 0 DHADMM CC(C)CCc1nc(CN2CCCC[C@@H]2CC(=O)[O-])cs1 ZINC000650506230 599753791 /nfs/dbraw/zinc/75/37/91/599753791.db2.gz DHYMWYLSUJBSPD-CQSZACIVSA-N -1 1 310.463 3.561 20 0 DHADMM CSc1ccc(CN[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000683175292 599788257 /nfs/dbraw/zinc/78/82/57/599788257.db2.gz TVCRQKWNTIXLFT-HNNXBMFYSA-N -1 1 323.364 3.602 20 0 DHADMM O=C([O-])c1ccc(-c2ccc(CNCc3cccs3)o2)cc1 ZINC000020875496 600037600 /nfs/dbraw/zinc/03/76/00/600037600.db2.gz PVUGTGYNWYJUBC-UHFFFAOYSA-N -1 1 313.378 3.996 20 0 DHADMM CC[C@@H]1c2ccsc2CCN1Cc1cc(C(=O)[O-])c(C)o1 ZINC000566359147 600104467 /nfs/dbraw/zinc/10/44/67/600104467.db2.gz RCJMBLUMLPHMBD-CQSZACIVSA-N -1 1 305.399 3.857 20 0 DHADMM O=C([O-])c1cc(F)ccc1CN1CCCc2sccc2C1 ZINC000652410990 600138042 /nfs/dbraw/zinc/13/80/42/600138042.db2.gz PXYXKGUOPPBEJF-UHFFFAOYSA-N -1 1 305.374 3.534 20 0 DHADMM CN(Cc1ccc(C(=O)[O-])cc1)Cc1ccc2ccccc2n1 ZINC000391058111 600207425 /nfs/dbraw/zinc/20/74/25/600207425.db2.gz ORPYVXBIBXMUJY-UHFFFAOYSA-N -1 1 306.365 3.565 20 0 DHADMM Cc1oc(CN(C)Cc2cc(C)nc3ccccc23)cc1C(=O)[O-] ZINC000566743714 600271674 /nfs/dbraw/zinc/27/16/74/600271674.db2.gz RGMPTGWIASZMAY-UHFFFAOYSA-N -1 1 324.380 3.775 20 0 DHADMM CCc1ccc([C@@H]2CCCN2Cc2cc(C)c(C(=O)[O-])o2)o1 ZINC000569108035 600410735 /nfs/dbraw/zinc/41/07/35/600410735.db2.gz FHPOQLHVSLPKEW-AWEZNQCLSA-N -1 1 303.358 3.779 20 0 DHADMM O=C([O-])[C@@H](NCc1ccccc1Cl)c1cccc(Cl)c1 ZINC000426742151 600416470 /nfs/dbraw/zinc/41/64/70/600416470.db2.gz OMAHTHKBJGDTPT-AWEZNQCLSA-N -1 1 310.180 3.909 20 0 DHADMM C[C@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1cc(F)ccc1F ZINC000736663191 600421975 /nfs/dbraw/zinc/42/19/75/600421975.db2.gz WQDDDUFGPPPRIG-BJOHPYRUSA-N -1 1 309.287 3.580 20 0 DHADMM O=C([O-])[C@H](NCc1ccccc1)c1ccc(Cl)cc1Cl ZINC000037952427 600730776 /nfs/dbraw/zinc/73/07/76/600730776.db2.gz IJKXBAMYEWBWQW-CQSZACIVSA-N -1 1 310.180 3.909 20 0 DHADMM C[C@@H](N[C@H](C(=O)[O-])c1ccccc1F)c1ccc(Cl)cc1 ZINC000827718283 600732237 /nfs/dbraw/zinc/73/22/37/600732237.db2.gz QEBVHUWDBCJFIB-BMIGLBTASA-N -1 1 307.752 3.956 20 0 DHADMM CCOc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000830064476 600734526 /nfs/dbraw/zinc/73/45/26/600734526.db2.gz STLJRHBJKNLJHO-YVEFUNNKSA-N -1 1 317.360 3.701 20 0 DHADMM O=C([O-])[C@H](NCc1ccsc1)c1ccc(Cl)cc1Cl ZINC000833169794 600738753 /nfs/dbraw/zinc/73/87/53/600738753.db2.gz KQEJVWCSAOFLIE-GFCCVEGCSA-N -1 1 316.209 3.970 20 0 DHADMM C[C@H]1CCN(Cc2cc(C(=O)[O-])co2)[C@H]1c1cccc(F)c1 ZINC000574164079 601117846 /nfs/dbraw/zinc/11/78/46/601117846.db2.gz BLQSMIWKSWXXEA-MEDUHNTESA-N -1 1 303.333 3.700 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN1CCCc2sccc2C1 ZINC000652410968 601418073 /nfs/dbraw/zinc/41/80/73/601418073.db2.gz NVMHFABIRMRKIH-UHFFFAOYSA-N -1 1 305.399 3.550 20 0 DHADMM O=C([O-])c1ccc(CN2CC=C(c3ccc(Cl)cc3)CC2)o1 ZINC000833314128 601598091 /nfs/dbraw/zinc/59/80/91/601598091.db2.gz GVLOPFAAGMFHEM-UHFFFAOYSA-N -1 1 317.772 3.921 20 0 DHADMM Cc1nc(C(C)(C)NCc2cc(C(=O)[O-])sc2C)sc1C ZINC000832993976 601648027 /nfs/dbraw/zinc/64/80/27/601648027.db2.gz MRJGMBMXJBLYSS-UHFFFAOYSA-N -1 1 324.471 3.853 20 0 DHADMM C[C@@H](C(=O)[O-])[C@H](NCc1ccc(F)cc1F)c1ccccc1 ZINC000574622766 601654053 /nfs/dbraw/zinc/65/40/53/601654053.db2.gz VFFKWCFJMFMBSC-BZNIZROVSA-N -1 1 305.324 3.516 20 0 DHADMM CN(Cc1cc2ccccc2o1)Cc1ccsc1C(=O)[O-] ZINC000830811041 601838795 /nfs/dbraw/zinc/83/87/95/601838795.db2.gz KIENNIXHQPMNHF-UHFFFAOYSA-N -1 1 301.367 3.825 20 0 DHADMM O=C([O-])c1ccc(CN2CCSC[C@H]2c2ccccc2)s1 ZINC000570403758 601957277 /nfs/dbraw/zinc/95/72/77/601957277.db2.gz UMPJLDWRXCUHMU-AWEZNQCLSA-N -1 1 319.451 3.736 20 0 DHADMM CN(Cc1cc2ccccc2o1)Cc1ccc(C(=O)[O-])s1 ZINC000830810681 601962049 /nfs/dbraw/zinc/96/20/49/601962049.db2.gz FSWMAUFADSFNKN-UHFFFAOYSA-N -1 1 301.367 3.825 20 0 DHADMM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1C2CCC1CC2 ZINC000833170852 602033744 /nfs/dbraw/zinc/03/37/44/602033744.db2.gz UDQXGCWQVPMKEY-BPCQOVAHSA-N -1 1 300.185 3.746 20 0 DHADMM O=C([O-])N1CCc2cccc(CNCc3ccc(Cl)s3)c21 ZINC000832086475 603850986 /nfs/dbraw/zinc/85/09/86/603850986.db2.gz FZMQEIHFKNDYGJ-UHFFFAOYSA-N -1 1 322.817 3.732 20 0 DHADMM Cc1cccc([C@H]2CCCN2Cc2ccc(F)cc2C(=O)[O-])n1 ZINC000832967106 604367659 /nfs/dbraw/zinc/36/76/59/604367659.db2.gz CBXZAFUHGUEUCN-QGZVFWFLSA-N -1 1 314.360 3.564 20 0 DHADMM C[C@H]1C[C@H]1c1ccc(CN(Cc2c[nH]c(C(=O)[O-])c2)C2CC2)o1 ZINC000833604624 604532958 /nfs/dbraw/zinc/53/29/58/604532958.db2.gz KQLJVHHDLHXOJA-XHDPSFHLSA-N -1 1 314.385 3.594 20 0 DHADMM C[C@@H](Oc1ccc(CN2Cc3ccccc3[C@H]2C)cc1)C(=O)[O-] ZINC000833540146 604655802 /nfs/dbraw/zinc/65/58/02/604655802.db2.gz KGQOIAZEJQLOIN-ZIAGYGMSSA-N -1 1 311.381 3.615 20 0 DHADMM C[C@@H]1CN(Cc2cc(C(F)(F)F)ccc2Cl)C[C@H]1C(=O)[O-] ZINC000833630503 604666134 /nfs/dbraw/zinc/66/61/34/604666134.db2.gz UIOSPQTZXSUMRJ-LDYMZIIASA-N -1 1 321.726 3.511 20 0 DHADMM CN(C/C=C\Cl)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000830722668 604671150 /nfs/dbraw/zinc/67/11/50/604671150.db2.gz HBWYTSDYUMDMNQ-SRMRHOMVSA-N -1 1 308.592 3.803 20 0 DHADMM Cc1cc([C@@H](C)Sc2nc(C(C)(C)C)n[nH]2)oc1C(=O)[O-] ZINC000832873256 604710337 /nfs/dbraw/zinc/71/03/37/604710337.db2.gz HMMMBSRXGVECIL-MRVPVSSYSA-N -1 1 309.391 3.555 20 0 DHADMM CCc1ccc([C@H](C)NCc2ccc(C(=O)[O-])cc2F)cc1 ZINC000833670954 605061925 /nfs/dbraw/zinc/06/19/25/605061925.db2.gz PYESXQZTYNZKAP-LBPRGKRZSA-N -1 1 301.361 3.937 20 0 DHADMM CC[C@@H](NCc1ccc(C(=O)[O-])s1)c1cc(F)ccc1F ZINC000833644008 605145101 /nfs/dbraw/zinc/14/51/01/605145101.db2.gz KHDZLTYYZYSGQL-CYBMUJFWSA-N -1 1 311.353 3.965 20 0 DHADMM O=C([O-])N1CCc2cccc(CN3CCC[C@@H]3c3ccco3)c21 ZINC000834122234 605594390 /nfs/dbraw/zinc/59/43/90/605594390.db2.gz FSAYPCPEPYBXAM-OAHLLOKOSA-N -1 1 312.369 3.657 20 0 DHADMM Cc1noc(C)c1[C@@H](C)N[C@@H]1CCc2cc(NC(=O)[O-])ccc21 ZINC000833928607 605612180 /nfs/dbraw/zinc/61/21/80/605612180.db2.gz HGUNFUNKLWWFST-RFAUZJTJSA-N -1 1 315.373 3.719 20 0 DHADMM Cc1ccc(NC(=O)[O-])cc1NC(=O)c1c(O)cccc1Cl ZINC000833906303 605660612 /nfs/dbraw/zinc/66/06/12/605660612.db2.gz OGQUYDIWLGVBHE-UHFFFAOYSA-N -1 1 320.732 3.696 20 0 DHADMM CC(C)(C(=O)[O-])[C@H](NCc1c(F)cccc1F)c1ccccc1 ZINC000833412474 605677623 /nfs/dbraw/zinc/67/76/23/605677623.db2.gz AFDKMABSXWYVJX-MRXNPFEDSA-N -1 1 319.351 3.907 20 0 DHADMM O=C([O-])N[C@@H]1C[C@@H](N[C@@H]2CCOc3ccccc32)c2ccccc21 ZINC000834160819 605791118 /nfs/dbraw/zinc/79/11/18/605791118.db2.gz WYRRMHPDOLXRKC-BRWVUGGUSA-N -1 1 324.380 3.554 20 0 DHADMM O=C([O-])N[C@@H]1C[C@H](NCc2ccc(F)cc2F)c2ccccc21 ZINC000834156519 605797497 /nfs/dbraw/zinc/79/74/97/605797497.db2.gz BGEVELVYSTYSTL-JKSUJKDBSA-N -1 1 318.323 3.508 20 0 DHADMM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)c2cncc([O-])c2)cc1 ZINC000339903189 1013045994 /nfs/dbraw/zinc/04/59/94/1013045994.db2.gz OOJLZXQCECUIAR-MSOLQXFVSA-N -1 1 310.397 3.504 20 0 DHADMM CC(C)(C)c1nc(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)cs1 ZINC000387628353 972130396 /nfs/dbraw/zinc/13/03/96/972130396.db2.gz XWGDOXMFNPVLSB-LBPRGKRZSA-N -1 1 324.490 3.763 20 0 DHADMM C[C@H](N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccc(Cl)cn1 ZINC001589123151 956143877 /nfs/dbraw/zinc/14/38/77/956143877.db2.gz JACMQRCYIALFGD-FSBGKCOPSA-N -1 1 316.788 3.699 20 0 DHADMM C[C@H](N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1cccnc1Cl ZINC001589123146 956144044 /nfs/dbraw/zinc/14/40/44/956144044.db2.gz IYPMIDWJRGDCHK-COLVAYQJSA-N -1 1 316.788 3.699 20 0 DHADMM O=C(Nc1nc(/C=C/c2ccccc2)cs1)c1cncc([O-])c1 ZINC000339950951 1013143298 /nfs/dbraw/zinc/14/32/98/1013143298.db2.gz KGCDCENEQZABAV-VOTSOKGWSA-N -1 1 323.377 3.666 20 0 DHADMM C[C@@H](c1ccc(Cl)cc1)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000251423516 961248648 /nfs/dbraw/zinc/24/86/48/961248648.db2.gz HRHMMOKECCXDET-ZANVPECISA-N -1 1 321.726 3.740 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CCSc2ccccc21 ZINC000340330103 1013497743 /nfs/dbraw/zinc/49/77/43/1013497743.db2.gz PQPXRZKSXFBWFS-GFCCVEGCSA-N -1 1 303.358 3.749 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1cncc(-c2ccccc2)c1 ZINC000340329402 1013498028 /nfs/dbraw/zinc/49/80/28/1013498028.db2.gz DBFIUMIMHHDOKK-UHFFFAOYSA-N -1 1 308.312 3.846 20 0 DHADMM [O-]c1ccc(-c2noc(C[C@@]34CCCC[C@@H]3C4(F)F)n2)c(F)c1 ZINC000664849937 1013499658 /nfs/dbraw/zinc/49/96/58/1013499658.db2.gz MNTDOMJXNHCOHN-WFASDCNBSA-N -1 1 324.302 3.949 20 0 DHADMM O=C(CCc1nc2ccccc2s1)Nc1ccc(F)cc1[O-] ZINC000340332722 1013501520 /nfs/dbraw/zinc/50/15/20/1013501520.db2.gz ZKAVKNSJEAXKIF-UHFFFAOYSA-N -1 1 316.357 3.712 20 0 DHADMM COCC1(c2noc(-c3cc(SC)ccc3[O-])n2)CCCC1 ZINC000664899742 1013561081 /nfs/dbraw/zinc/56/10/81/1013561081.db2.gz KQMNOWXTDDOLQT-UHFFFAOYSA-N -1 1 320.414 3.622 20 0 DHADMM O=C([N-]c1nc(-c2cccc(Cl)c2)ns1)c1nccs1 ZINC000683544072 1013603870 /nfs/dbraw/zinc/60/38/70/1013603870.db2.gz KXGKWCVXHBQVRN-UHFFFAOYSA-N -1 1 322.802 3.567 20 0 DHADMM CCc1cc(=O)[n-]c(SCCCOc2ccc(C)c(C)c2)n1 ZINC000188095005 1013633775 /nfs/dbraw/zinc/63/37/75/1013633775.db2.gz VLJJPEIDARTRPE-UHFFFAOYSA-N -1 1 318.442 3.510 20 0 DHADMM [O-]c1ccc(-c2noc(C[C@H]3CCc4ccccc43)n2)c(F)c1 ZINC000683592193 1013697227 /nfs/dbraw/zinc/69/72/27/1013697227.db2.gz QUIUZRGNYPNKMJ-GFCCVEGCSA-N -1 1 310.328 3.854 20 0 DHADMM Cc1cc(F)c(-c2nc(-c3ccc([O-])cc3F)no2)cc1F ZINC000683592273 1013698933 /nfs/dbraw/zinc/69/89/33/1013698933.db2.gz XKAWVQPDYYCQGD-UHFFFAOYSA-N -1 1 306.243 3.835 20 0 DHADMM CCc1ccccc1Cc1noc(-c2ccc(OC)cc2[O-])n1 ZINC000683599423 1013713131 /nfs/dbraw/zinc/71/31/31/1013713131.db2.gz JOMPHJXUMWHYEO-UHFFFAOYSA-N -1 1 310.353 3.604 20 0 DHADMM O=C(NCCc1cccc(Cl)c1)c1c([O-])cccc1Cl ZINC000049085039 1013744486 /nfs/dbraw/zinc/74/44/86/1013744486.db2.gz BNCOKOCCKIVFEL-UHFFFAOYSA-N -1 1 310.180 3.672 20 0 DHADMM C[C@H]1CCN(Cc2csc(C3CCCCC3)n2)C[C@H]1C(=O)[O-] ZINC000577395651 968463452 /nfs/dbraw/zinc/46/34/52/968463452.db2.gz OOOWAEZOLXRBCA-SWLSCSKDSA-N -1 1 322.474 3.733 20 0 DHADMM CCO[C@H](CC)c1noc(-c2cc(Cl)c([O-])c(OC)c2)n1 ZINC000665037527 1013910654 /nfs/dbraw/zinc/91/06/54/1013910654.db2.gz BCCKVEVMORDTPM-SNVBAGLBSA-N -1 1 312.753 3.592 20 0 DHADMM CN(Cc1ccccc1Cl)C(=O)c1c([O-])cccc1Cl ZINC000049082263 1014089497 /nfs/dbraw/zinc/08/94/97/1014089497.db2.gz JEXHODPDCMUAGD-UHFFFAOYSA-N -1 1 310.180 3.971 20 0 DHADMM CCc1nc(SCC(=O)CC(C)(C)C2CC2)[n-]c(=O)c1C ZINC000580451595 1014138553 /nfs/dbraw/zinc/13/85/53/1014138553.db2.gz JCFDSHZBFUSEJC-UHFFFAOYSA-N -1 1 308.447 3.541 20 0 DHADMM O=C(N[C@H]1CC[C@@H](Cc2ccccc2)C1)c1ccc([O-])cc1F ZINC000189352682 1014177351 /nfs/dbraw/zinc/17/73/51/1014177351.db2.gz IPKYKBWGVAXYOR-GJZGRUSLSA-N -1 1 313.372 3.673 20 0 DHADMM C[C@H]1CC(F)(F)CCN1Cc1c(Cl)cccc1C(=O)[O-] ZINC000530171478 974361688 /nfs/dbraw/zinc/36/16/88/974361688.db2.gz ACRRGTHXAKOTGT-VIFPVBQESA-N -1 1 303.736 3.658 20 0 DHADMM CCc1noc(C)c1[C@H](C)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001603994224 974499041 /nfs/dbraw/zinc/49/90/41/974499041.db2.gz YXORPINBIAAKIM-FSBGKCOPSA-N -1 1 314.385 3.509 20 0 DHADMM CC[C@H]1CCCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000563277332 974525170 /nfs/dbraw/zinc/52/51/70/974525170.db2.gz FXQLJTVZASNXQG-ZDUSSCGKSA-N -1 1 314.385 3.662 20 0 DHADMM C[C@H]1c2cc(Cl)cc(Cl)c2CCN1CC1(C(=O)[O-])CC1 ZINC000566684001 974620108 /nfs/dbraw/zinc/62/01/08/974620108.db2.gz MNZDWEBQRGIJPV-VIFPVBQESA-N -1 1 314.212 3.777 20 0 DHADMM O=C([O-])c1occc1CN1CCC[C@@H]1c1cccc(Cl)c1 ZINC000569731992 974697897 /nfs/dbraw/zinc/69/78/97/974697897.db2.gz CNHBNLILQGIAJL-CQSZACIVSA-N -1 1 305.761 3.968 20 0 DHADMM C[C@]1(C(=O)[O-])CCCN(Cc2csc(-c3cccs3)n2)C1 ZINC000569857644 974701478 /nfs/dbraw/zinc/70/14/78/974701478.db2.gz QEHFRCNORCJUER-HNNXBMFYSA-N -1 1 322.455 3.558 20 0 DHADMM O=C([O-])C[C@@H]1CCCN1Cc1nc(C2CCCCC2)cs1 ZINC000569934843 974701958 /nfs/dbraw/zinc/70/19/58/974701958.db2.gz RNUKMSKLEDPTNL-ZDUSSCGKSA-N -1 1 308.447 3.630 20 0 DHADMM C[C@@]12CCN(Cc3cc(C(=O)[O-])ccc3Cl)C[C@@H]1C2(F)F ZINC000570226350 974707944 /nfs/dbraw/zinc/70/79/44/974707944.db2.gz QVTZMESHAPDSNN-GXTWGEPZSA-N -1 1 315.747 3.515 20 0 DHADMM Cc1oc(CN2CC[C@@H](C)C[C@@H]2c2ccco2)cc1C(=O)[O-] ZINC000576166689 974809074 /nfs/dbraw/zinc/80/90/74/974809074.db2.gz ZBMURQKKFBRIOP-IAQYHMDHSA-N -1 1 303.358 3.852 20 0 DHADMM CC(C)(C)c1nc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)cs1 ZINC000629375416 975090429 /nfs/dbraw/zinc/09/04/29/975090429.db2.gz ZSOFCKZYPRBXHY-IHRRRGAJSA-N -1 1 322.474 3.516 20 0 DHADMM O=C([O-])c1cc(CN2CCSC[C@@H]2c2ccccc2)cs1 ZINC000652387734 975518650 /nfs/dbraw/zinc/51/86/50/975518650.db2.gz PDOKXNJZEIIFDK-CQSZACIVSA-N -1 1 319.451 3.736 20 0 DHADMM Cc1nc(C)c([C@H](C)N(C)Cc2csc(C(=O)[O-])c2)s1 ZINC000652410650 975524660 /nfs/dbraw/zinc/52/46/60/975524660.db2.gz LMLZGCFZRKGMEU-VIFPVBQESA-N -1 1 310.444 3.713 20 0 DHADMM Cc1nc(C)c([C@@H](C)N(C)Cc2csc(C(=O)[O-])c2)s1 ZINC000652410649 975525103 /nfs/dbraw/zinc/52/51/03/975525103.db2.gz LMLZGCFZRKGMEU-SECBINFHSA-N -1 1 310.444 3.713 20 0 DHADMM Cc1ccc([C@H]2CCCCCN2Cc2ccc(C(=O)[O-])cn2)o1 ZINC000652422280 975528245 /nfs/dbraw/zinc/52/82/45/975528245.db2.gz WYPBNNQGGSNQEW-MRXNPFEDSA-N -1 1 314.385 3.799 20 0 DHADMM Cc1oc(C[N@@H+](C)C[C@@H]2CCC3(CCCCC3)O2)cc1C(=O)[O-] ZINC000580720058 1014309856 /nfs/dbraw/zinc/30/98/56/1014309856.db2.gz FLEMWEYSKDJGEA-AWEZNQCLSA-N -1 1 321.417 3.600 20 0 DHADMM Cc1oc(CN(C)C[C@@H]2CCC3(CCCCC3)O2)cc1C(=O)[O-] ZINC000580720058 1014309864 /nfs/dbraw/zinc/30/98/64/1014309864.db2.gz FLEMWEYSKDJGEA-AWEZNQCLSA-N -1 1 321.417 3.600 20 0 DHADMM CC(C)c1[nH]c(CN2CC(Cc3cccs3)C2)cc1C(=O)[O-] ZINC001591911499 976333935 /nfs/dbraw/zinc/33/39/35/976333935.db2.gz YFSHLYGLGHSNGX-UHFFFAOYSA-N -1 1 318.442 3.572 20 0 DHADMM CC(=O)N1CCCc2ccc(-c3cc(F)c([O-])cc3F)cc21 ZINC001211339814 1014359417 /nfs/dbraw/zinc/35/94/17/1014359417.db2.gz PSBVSRKIWPYDBZ-UHFFFAOYSA-N -1 1 303.308 3.637 20 0 DHADMM O=C(c1ccc([O-])c(F)c1)N1CCC(F)(c2ccccc2)CC1 ZINC000684065901 1014362866 /nfs/dbraw/zinc/36/28/66/1014362866.db2.gz OFZVULHWPJTGAV-UHFFFAOYSA-N -1 1 317.335 3.632 20 0 DHADMM C[C@H](CC(C)(C)CC(=O)[O-])Nc1ccc(CN(C)C)c(F)c1 ZINC001592444742 978105136 /nfs/dbraw/zinc/10/51/36/978105136.db2.gz DKVQCGQDFVDDBF-GFCCVEGCSA-N -1 1 310.413 3.579 20 0 DHADMM COC(=O)c1ccc(Nc2cc(F)c([O-])cc2F)c(Cl)c1 ZINC001215575955 1014483178 /nfs/dbraw/zinc/48/31/78/1014483178.db2.gz HGHOXMHBGCNZNU-UHFFFAOYSA-N -1 1 313.687 3.854 20 0 DHADMM Nc1c(F)c(F)c(Nc2cc(F)c([O-])cc2F)c(F)c1F ZINC001215573960 1014483392 /nfs/dbraw/zinc/48/33/92/1014483392.db2.gz LAWGJSJHNADYPF-UHFFFAOYSA-N -1 1 308.181 3.553 20 0 DHADMM CCOc1ccc(CN(C)Cc2cc(C(=O)[O-])oc2CC)cc1 ZINC000830074975 979012873 /nfs/dbraw/zinc/01/28/73/979012873.db2.gz CURNHVRNAZOGHU-UHFFFAOYSA-N -1 1 317.385 3.571 20 0 DHADMM O=C(Nc1cccc(C2CC2)n1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000647142725 1014576587 /nfs/dbraw/zinc/57/65/87/1014576587.db2.gz VHHUEASSWSVBST-UHFFFAOYSA-N -1 1 322.286 3.936 20 0 DHADMM CC(C)(C)c1cnc(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)s1 ZINC000859812884 979642220 /nfs/dbraw/zinc/64/22/20/979642220.db2.gz XKPXYOPZUQRMBS-LBPRGKRZSA-N -1 1 324.490 3.763 20 0 DHADMM C[C@H](N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)c1ccccn1 ZINC000871621276 979960537 /nfs/dbraw/zinc/96/05/37/979960537.db2.gz XSFAJAWPKRCNSD-HZMBPMFUSA-N -1 1 324.302 3.577 20 0 DHADMM Cc1cc([C@H](C)N2CCC[C@H](C(F)(F)F)C2)oc1C(=O)[O-] ZINC000872163278 980054866 /nfs/dbraw/zinc/05/48/66/980054866.db2.gz CAOQOUCYHZJRDM-UWVGGRQHSA-N -1 1 305.296 3.622 20 0 DHADMM O=C([O-])CCC1CCN(Cc2ccc(C(F)(F)F)s2)CC1 ZINC000901496649 980316331 /nfs/dbraw/zinc/31/63/31/980316331.db2.gz WXLYEJNXWCAPFT-UHFFFAOYSA-N -1 1 321.364 3.844 20 0 DHADMM O=C([O-])[C@]1(F)CCN(Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000901514690 980332055 /nfs/dbraw/zinc/33/20/55/980332055.db2.gz IDQPVRNDNGPLFY-INIZCTEOSA-N -1 1 323.364 3.553 20 0 DHADMM CC[C@@H](NCc1ccc(C)c(C(=O)[O-])c1)c1nc(C)cs1 ZINC001595299770 980430527 /nfs/dbraw/zinc/43/05/27/980430527.db2.gz FDBFVUAIYJORFG-CQSZACIVSA-N -1 1 304.415 3.699 20 0 DHADMM C/C(=C/c1ccccc1)CN[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000901910162 980622489 /nfs/dbraw/zinc/62/24/89/980622489.db2.gz FIWVUVMPLUQXQF-NXIHDVOMSA-N -1 1 302.399 3.595 20 0 DHADMM Cc1ccc([C@@H](NCc2ccc(/C=C\C(=O)[O-])o2)C2CC2)cc1 ZINC000902088646 980727618 /nfs/dbraw/zinc/72/76/18/980727618.db2.gz URYXFEPOTIDFKB-OEIFXAAASA-N -1 1 311.381 3.927 20 0 DHADMM CC[C@@H](c1ccccc1)N(CC)Cc1nc(C(=O)[O-])cs1 ZINC001595364611 980796186 /nfs/dbraw/zinc/79/61/86/980796186.db2.gz UFUVVNPXRFVFKQ-AWEZNQCLSA-N -1 1 304.415 3.815 20 0 DHADMM CSc1ccc([C@@H](C)NCc2cc(C(=O)[O-])oc2C)cc1 ZINC000902380803 980863705 /nfs/dbraw/zinc/86/37/05/980863705.db2.gz LENQWBQITPJEGF-SNVBAGLBSA-N -1 1 305.399 3.859 20 0 DHADMM O=C([O-])/C=C/c1ccc(CNCc2ccc(C3CCC3)cc2)o1 ZINC000902441522 980889045 /nfs/dbraw/zinc/88/90/45/980889045.db2.gz ANEIQUKUKXUFJC-ZHACJKMWSA-N -1 1 311.381 3.935 20 0 DHADMM CC[C@H](c1ccccc1OC)N(C)Cc1ccoc1C(=O)[O-] ZINC000902543949 980927665 /nfs/dbraw/zinc/92/76/65/980927665.db2.gz WZLILJWVROMMGX-CQSZACIVSA-N -1 1 303.358 3.570 20 0 DHADMM CC[C@@H](NCc1ccc(C(=O)[O-])cc1)c1cc(F)ccc1OC ZINC000902571838 980938946 /nfs/dbraw/zinc/93/89/46/980938946.db2.gz GTGLZPGEBNJZRB-MRXNPFEDSA-N -1 1 317.360 3.773 20 0 DHADMM CC[C@H](NCc1cc(C(=O)[O-])oc1C)c1cc(F)ccc1OC ZINC000902571584 980939102 /nfs/dbraw/zinc/93/91/02/980939102.db2.gz AUWHMFODRDSJSJ-AWEZNQCLSA-N -1 1 321.348 3.675 20 0 DHADMM CC1(C)C[C@@H](c2ccccc2)C[N@H+]1Cc1nc(C(=O)[O-])cs1 ZINC000903935229 981055281 /nfs/dbraw/zinc/05/52/81/981055281.db2.gz VFTAJUXDNINTJY-CYBMUJFWSA-N -1 1 316.426 3.609 20 0 DHADMM CCSc1ccc([C@@H](C)NCc2ccc(C(=O)[O-])cn2)cc1 ZINC000905724986 981123758 /nfs/dbraw/zinc/12/37/58/981123758.db2.gz RJHXIBHUHSOAHR-GFCCVEGCSA-N -1 1 316.426 3.743 20 0 DHADMM COc1ccc([C@@H](C)NCc2ccc(/C=C\C(=O)[O-])o2)cc1C ZINC000905769277 981146993 /nfs/dbraw/zinc/14/69/93/981146993.db2.gz DSOUXLREQGHVMJ-FNOHHLHBSA-N -1 1 315.369 3.545 20 0 DHADMM CC[C@@H]1CCCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)CC1 ZINC000442963086 1014780127 /nfs/dbraw/zinc/78/01/27/1014780127.db2.gz DMNSTAYSZKIUKP-LLVKDONJSA-N -1 1 311.809 3.707 20 0 DHADMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C)c2F)c1 ZINC000313232940 1014799685 /nfs/dbraw/zinc/79/96/85/1014799685.db2.gz DMQJOPLOVWKAIY-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM CCc1cccc2cc(CN[C@H](CC3CCC3)C(=O)[O-])oc21 ZINC000656567252 1014866279 /nfs/dbraw/zinc/86/62/79/1014866279.db2.gz IVXFQOWNHZJJAD-MRXNPFEDSA-N -1 1 301.386 3.728 20 0 DHADMM CCN(Cc1ccc(C(=O)[O-])cc1F)[C@H](C)c1cccc(O)c1 ZINC001596357578 983828601 /nfs/dbraw/zinc/82/86/01/983828601.db2.gz JAKJMIMIYZTZEV-GFCCVEGCSA-N -1 1 317.360 3.813 20 0 DHADMM CCN(Cc1cccs1)Cc1[nH]cc(C(=O)[O-])c1C1CC1 ZINC001596375089 983882215 /nfs/dbraw/zinc/88/22/15/983882215.db2.gz GZECYJGJSLSZIY-UHFFFAOYSA-N -1 1 304.415 3.674 20 0 DHADMM Cc1ccc(CN(C(=O)c2cc(F)ccc2[O-])C(C)C)s1 ZINC000094055891 1015012307 /nfs/dbraw/zinc/01/23/07/1015012307.db2.gz HYQZJWCSWVTINP-UHFFFAOYSA-N -1 1 307.390 3.952 20 0 DHADMM Cc1ccnc([N-]S(=O)(=O)CCC2CCCCC2)c1C1CC1 ZINC000656740107 1015109110 /nfs/dbraw/zinc/10/91/10/1015109110.db2.gz ZSFJEZSQWGTGMO-UHFFFAOYSA-N -1 1 322.474 3.980 20 0 DHADMM CC[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])C[C@@H](CC)O1 ZINC000398803350 1015160881 /nfs/dbraw/zinc/16/08/81/1015160881.db2.gz UUTKXAWABDCXPX-HUUCEWRRSA-N -1 1 313.397 3.575 20 0 DHADMM C[C@@H]1CN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)[C@@H]1c1ccccc1 ZINC001594533156 986136183 /nfs/dbraw/zinc/13/61/83/986136183.db2.gz AUSCIAUHGRANGO-XIKOKIGWSA-N -1 1 310.397 3.783 20 0 DHADMM CCOc1ccc(CN[C@H](c2ccccc2)C(C)(C)C(=O)[O-])o1 ZINC001597100652 986707160 /nfs/dbraw/zinc/70/71/60/986707160.db2.gz AXUCXASSGVYUMW-MRXNPFEDSA-N -1 1 317.385 3.620 20 0 DHADMM C[C@H]1Oc2ccccc2[C@@H]1NCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001594655479 986891123 /nfs/dbraw/zinc/89/11/23/986891123.db2.gz RSFMHLLEOVOJSM-QLJPJBMISA-N -1 1 317.772 3.650 20 0 DHADMM C[C@H]1c2sccc2CCN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC001594674540 986997182 /nfs/dbraw/zinc/99/71/82/986997182.db2.gz RWSYOSFYBVYMGQ-JTQLQIEISA-N -1 1 305.374 3.705 20 0 DHADMM O=S(=O)([N-]c1cccc(Cl)c1F)c1cc(F)ccc1F ZINC000008108370 1015307819 /nfs/dbraw/zinc/30/78/19/1015307819.db2.gz GYNGFURYXZKOQN-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM CC(C)(C)[C@@H](Sc1nc(C=Cc2ccccc2)n[nH]1)C(=O)[O-] ZINC001589722417 987890247 /nfs/dbraw/zinc/89/02/47/987890247.db2.gz GBDNPLSSLBNLCD-XPSMFNQNSA-N -1 1 317.414 3.567 20 0 DHADMM Cc1ccccc1S(=O)(=O)[N-]c1cc(C2CCCCC2)n[nH]1 ZINC000474434083 1015358573 /nfs/dbraw/zinc/35/85/73/1015358573.db2.gz WSLGETQRISHVRA-UHFFFAOYSA-N -1 1 319.430 3.567 20 0 DHADMM CCc1ccc(C)nc1NCc1cc(C(=O)[O-])ccc1Cl ZINC001597514585 988122122 /nfs/dbraw/zinc/12/21/22/988122122.db2.gz QDDWEQRZDJQPHC-UHFFFAOYSA-N -1 1 304.777 3.916 20 0 DHADMM CSc1cc(C)ccc1CN[C@H](C)c1cncc(C(=O)[O-])c1 ZINC001599808509 988295307 /nfs/dbraw/zinc/29/53/07/988295307.db2.gz HUYFOQFNHYHEQE-GFCCVEGCSA-N -1 1 316.426 3.661 20 0 DHADMM CSc1ccc(F)cc1CN[C@@H](C(=O)[O-])c1ccsc1 ZINC001599814225 988392322 /nfs/dbraw/zinc/39/23/22/988392322.db2.gz IPFHURAWIKTBJH-CYBMUJFWSA-N -1 1 311.403 3.525 20 0 DHADMM CCc1oc(CN2CC([C@@H]3CCC[C@H](C)C3)C2)cc1C(=O)[O-] ZINC001597795455 989344994 /nfs/dbraw/zinc/34/49/94/989344994.db2.gz AYWNCHDRQBEPJS-QWHCGFSZSA-N -1 1 305.418 3.798 20 0 DHADMM Cc1cccc(OC(F)F)c1NC(=O)c1cccc([O-])c1F ZINC001143402829 1015493195 /nfs/dbraw/zinc/49/31/95/1015493195.db2.gz XYQWYPASVVAZGA-UHFFFAOYSA-N -1 1 311.259 3.693 20 0 DHADMM C[C@H](C(=O)Nc1c([O-])cc(Br)cc1Cl)C1CC1 ZINC000581964804 1015596121 /nfs/dbraw/zinc/59/61/21/1015596121.db2.gz DPJIKFUJTKAMKS-LURJTMIESA-N -1 1 318.598 3.793 20 0 DHADMM CC(C)COc1cccc(CN[C@@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001591402227 992483052 /nfs/dbraw/zinc/48/30/52/992483052.db2.gz VUEXYEWBYHNELV-ZDUSSCGKSA-N -1 1 317.385 3.863 20 0 DHADMM CN(Cc1cc2ccccc2[nH]1)Cc1cc(C(=O)[O-])cs1 ZINC001598508544 992536612 /nfs/dbraw/zinc/53/66/12/992536612.db2.gz NQQGHJYROYTVIK-UHFFFAOYSA-N -1 1 300.383 3.560 20 0 DHADMM CC(C)(CNC(=O)c1ccc(Cl)cc1[O-])c1ccccc1F ZINC001143414220 1015745884 /nfs/dbraw/zinc/74/58/84/1015745884.db2.gz LXDYXUVQZRPUBN-UHFFFAOYSA-N -1 1 321.779 3.892 20 0 DHADMM Cc1ccc(C)c(CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000341829795 1015759219 /nfs/dbraw/zinc/75/92/19/1015759219.db2.gz DDZCCTNHVFTCMO-UHFFFAOYSA-N -1 1 321.380 3.580 20 0 DHADMM C[C@@H](N[C@@H](C)c1cc(C(=O)[O-])co1)c1ccc2c(c1)CCCO2 ZINC001593195692 994149271 /nfs/dbraw/zinc/14/92/71/994149271.db2.gz DQWLAIHXSWPUNZ-NEPJUHHUSA-N -1 1 315.369 3.715 20 0 DHADMM C[C@H](NC1(c2cccc(F)c2)CCC1)c1cc(C(=O)[O-])co1 ZINC001593209439 994237157 /nfs/dbraw/zinc/23/71/57/994237157.db2.gz JPSLVNZNQHKLDA-NSHDSACASA-N -1 1 303.333 3.847 20 0 DHADMM C[C@H](N[C@H]1CCCc2c(F)cccc21)c1cc(C(=O)[O-])co1 ZINC001593218620 994289216 /nfs/dbraw/zinc/28/92/16/994289216.db2.gz JTZYZOKACNDIGK-BONVTDFDSA-N -1 1 303.333 3.845 20 0 DHADMM C[C@H](N[C@H]1CCOc2ccc(F)cc21)c1cc(C(=O)[O-])cs1 ZINC001593233907 994395194 /nfs/dbraw/zinc/39/51/94/994395194.db2.gz UKPQIBYRWCXBMQ-ZANVPECISA-N -1 1 321.373 3.760 20 0 DHADMM C[C@H](NCc1ccc(C(=O)[O-])c(F)c1)c1ccc(F)cc1F ZINC001593291922 994673241 /nfs/dbraw/zinc/67/32/41/994673241.db2.gz FRWWNRXVQCOHTA-VIFPVBQESA-N -1 1 309.287 3.653 20 0 DHADMM C[C@@H](NCc1ccc(C(=O)[O-])c(F)c1)c1cccc(F)c1F ZINC001593292025 994673707 /nfs/dbraw/zinc/67/37/07/994673707.db2.gz GGFHOSYXUMXAFS-SECBINFHSA-N -1 1 309.287 3.653 20 0 DHADMM C[C@@H](NCc1ccsc1C(=O)[O-])c1cc(F)ccc1N(C)C ZINC001593311708 994786981 /nfs/dbraw/zinc/78/69/81/994786981.db2.gz SUZQWDXZZFOLNC-SNVBAGLBSA-N -1 1 322.405 3.502 20 0 DHADMM CC1(C)CN(Cc2ccc(C(=O)[O-])c(F)c2)Cc2ccccc21 ZINC001593942889 996975629 /nfs/dbraw/zinc/97/56/29/996975629.db2.gz SOHVLTOWSISHSB-UHFFFAOYSA-N -1 1 313.372 3.817 20 0 DHADMM COc1ccc(C(=O)[O-])cc1CNC(C)(C)c1cccc(F)c1 ZINC001599501841 997138551 /nfs/dbraw/zinc/13/85/51/997138551.db2.gz XZUDDOGEYBLTEX-UHFFFAOYSA-N -1 1 317.360 3.557 20 0 DHADMM Cc1ccc(-c2ccc(CN[C@H](C(=O)[O-])C(C)(C)C)o2)cc1 ZINC000277255277 1016111733 /nfs/dbraw/zinc/11/17/33/1016111733.db2.gz KGXYYHANGPHXJT-MRXNPFEDSA-N -1 1 301.386 3.844 20 0 DHADMM CO[C@@H](CSc1nc(C(F)F)cc(=O)[n-]1)C1CCCCC1 ZINC000657259941 1016127004 /nfs/dbraw/zinc/12/70/04/1016127004.db2.gz NWZVKEXEYSOORV-NSHDSACASA-N -1 1 318.389 3.807 20 0 DHADMM Cc1cnc(SCC2CCC(C(F)(F)F)CC2)[n-]c1=O ZINC000657261894 1016128608 /nfs/dbraw/zinc/12/86/08/1016128608.db2.gz PYONXPRRLHHEKE-UHFFFAOYSA-N -1 1 306.353 3.951 20 0 DHADMM Cc1cnc(SCc2csc(CCC(C)C)n2)[n-]c1=O ZINC000657261737 1016130559 /nfs/dbraw/zinc/13/05/59/1016130559.db2.gz GJNZOIWHMCJJBD-UHFFFAOYSA-N -1 1 309.460 3.828 20 0 DHADMM CCc1nc(S[C@@H](CCOC)c2ccccc2)[n-]c(=O)c1C ZINC000657263820 1016136484 /nfs/dbraw/zinc/13/64/84/1016136484.db2.gz XDUASKBVBYOLSV-HNNXBMFYSA-N -1 1 318.442 3.923 20 0 DHADMM COCCCC[C@@H](NCc1occc1C(=O)[O-])c1ccccc1 ZINC001599223305 997709932 /nfs/dbraw/zinc/70/99/32/997709932.db2.gz IWRXBEIQDRTILD-MRXNPFEDSA-N -1 1 317.385 3.625 20 0 DHADMM CCC1(CC)[C@H]([N@@H+](C)Cc2ccc(C(=O)[O-])cc2F)C[C@@H]1OC ZINC000563283309 1016502112 /nfs/dbraw/zinc/50/21/12/1016502112.db2.gz XUCUDMDTIVIRLE-CVEARBPZSA-N -1 1 323.408 3.549 20 0 DHADMM CCC(C)(CC)C(=O)N[N-]C(=O)c1c(Cl)cccc1Cl ZINC000159115656 1016576338 /nfs/dbraw/zinc/57/63/38/1016576338.db2.gz BXACTXWFNRDECV-UHFFFAOYSA-N -1 1 317.216 3.581 20 0 DHADMM O=C(Nc1ccc(F)cc1F)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684869658 1016742332 /nfs/dbraw/zinc/74/23/32/1016742332.db2.gz WYKQGXGWXBVTDX-UHFFFAOYSA-N -1 1 317.213 3.942 20 0 DHADMM C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684870157 1016746422 /nfs/dbraw/zinc/74/64/22/1016746422.db2.gz PQKQIJVDBKVBGW-CABZTGNLSA-N -1 1 301.308 3.720 20 0 DHADMM COc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1C1CC1 ZINC000444327969 1017049156 /nfs/dbraw/zinc/04/91/56/1017049156.db2.gz LTTURGZOZYMSFQ-UHFFFAOYSA-N -1 1 301.317 3.670 20 0 DHADMM Cc1ccc2c(c1)CC[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)O2 ZINC000476451312 1032189497 /nfs/dbraw/zinc/18/94/97/1032189497.db2.gz XRVROWLQAQZROT-INIZCTEOSA-N -1 1 317.772 3.686 20 0 DHADMM CCOc1cccc([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000055652158 1032230468 /nfs/dbraw/zinc/23/04/68/1032230468.db2.gz FLBAVGMMGZGVQN-UHFFFAOYSA-N -1 1 305.399 3.503 20 0 DHADMM C[C@@H]1CC[C@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)[C@@H](C)C1 ZINC001146812301 1032250030 /nfs/dbraw/zinc/25/00/30/1032250030.db2.gz FXNNKMDLTHXAQJ-NRUUGDAUSA-N -1 1 315.335 3.966 20 0 DHADMM CCC1(CC)CCCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC001147335788 1032298488 /nfs/dbraw/zinc/29/84/88/1032298488.db2.gz KVAWKZKRISAQRB-UHFFFAOYSA-N -1 1 312.413 3.983 20 0 DHADMM Cc1cc(F)cc(C(=O)Nc2ccc(Br)c([O-])c2)c1 ZINC001325060557 1032332515 /nfs/dbraw/zinc/33/25/15/1032332515.db2.gz ABHNSBTUDDUBLT-UHFFFAOYSA-N -1 1 324.149 3.855 20 0 DHADMM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2ccc([O-])cn2)cc1 ZINC001147796589 1032342396 /nfs/dbraw/zinc/34/23/96/1032342396.db2.gz UHGUUXMPWJMYEY-KDOFPFPSSA-N -1 1 310.397 3.709 20 0 DHADMM C[C@@H]1CCN(C(=O)c2ccc(F)c([O-])c2)[C@H](c2ccco2)C1 ZINC001147922201 1032353572 /nfs/dbraw/zinc/35/35/72/1032353572.db2.gz ILRIKJKSMLMQEK-RISCZKNCSA-N -1 1 303.333 3.738 20 0 DHADMM Cc1nnccc1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001148252013 1032378160 /nfs/dbraw/zinc/37/81/60/1032378160.db2.gz GBGHBCPKLOICMC-UHFFFAOYSA-N -1 1 313.744 3.550 20 0 DHADMM Cc1c(-c2ccccc2)sc2[n-]c(-c3ccon3)nc(=O)c12 ZINC000074797470 1017271167 /nfs/dbraw/zinc/27/11/67/1017271167.db2.gz SJIWBYUKUXOXLU-UHFFFAOYSA-N -1 1 309.350 3.615 20 0 DHADMM O=C(Nc1cnc2occc2c1)c1ccc(C(F)(F)F)cc1[O-] ZINC001148794288 1032445883 /nfs/dbraw/zinc/44/58/83/1032445883.db2.gz HAZLYKUDOPYDHO-UHFFFAOYSA-N -1 1 322.242 3.805 20 0 DHADMM CC[C@H](C)CN(CC)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC001148850492 1032447589 /nfs/dbraw/zinc/44/75/89/1032447589.db2.gz FMTSJPCDCWJCFO-NSHDSACASA-N -1 1 304.365 3.588 20 0 DHADMM Cc1ncc(CNC(=O)c2cccc(-c3ccccc3)c2[O-])s1 ZINC001148861133 1032449513 /nfs/dbraw/zinc/44/95/13/1032449513.db2.gz MUFKRQNHXFWXKE-UHFFFAOYSA-N -1 1 324.405 3.754 20 0 DHADMM O=C(NCc1ccncc1F)c1cccc(-c2ccccc2)c1[O-] ZINC001148870063 1032449626 /nfs/dbraw/zinc/44/96/26/1032449626.db2.gz QEUSFAIZXASAKP-UHFFFAOYSA-N -1 1 322.339 3.523 20 0 DHADMM COCCN(C(=O)c1cccc(-c2ccccc2)c1[O-])C(C)C ZINC001148865967 1032449657 /nfs/dbraw/zinc/44/96/57/1032449657.db2.gz CJBDSVSGVNQVJE-UHFFFAOYSA-N -1 1 313.397 3.556 20 0 DHADMM CC(C)C1(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001148912990 1032452751 /nfs/dbraw/zinc/45/27/51/1032452751.db2.gz SXZDIFCMFAGAKM-UHFFFAOYSA-N -1 1 301.308 3.577 20 0 DHADMM Cc1ccc(-c2ccc(CN3CCC[C@@H](C)[C@@H]3C(=O)[O-])o2)cc1 ZINC000424423666 1012017474 /nfs/dbraw/zinc/01/74/74/1012017474.db2.gz VGSNZFZLCRBMLU-RDTXWAMCSA-N -1 1 313.397 3.940 20 0 DHADMM COc1ccc([C@@H](CC(=O)[O-])NCc2ccccc2Cl)cc1 ZINC000683170984 1012228294 /nfs/dbraw/zinc/22/82/94/1012228294.db2.gz CXZYBQMAKHSOLY-MRXNPFEDSA-N -1 1 319.788 3.654 20 0 DHADMM CCS[C@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)cc1[O-] ZINC001137243346 1032612834 /nfs/dbraw/zinc/61/28/34/1032612834.db2.gz BFIZCCCUIQNZJK-OCCSQVGLSA-N -1 1 313.850 3.840 20 0 DHADMM CN(C(=O)c1ccc([O-])c(F)c1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000655208267 1012563863 /nfs/dbraw/zinc/56/38/63/1012563863.db2.gz PRYQLHIHMLNECT-RDJZCZTQSA-N -1 1 313.372 3.940 20 0 DHADMM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)C1CCC(F)(F)CC1 ZINC000655340377 1012668223 /nfs/dbraw/zinc/66/82/23/1012668223.db2.gz FLGGJTZUOKIHDR-MRVPVSSYSA-N -1 1 319.298 3.614 20 0 DHADMM C[C@@]1(C(F)(F)F)CCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000874484832 1032650335 /nfs/dbraw/zinc/65/03/35/1032650335.db2.gz DOUHEKCJPPSTEE-MRXNPFEDSA-N -1 1 323.314 3.960 20 0 DHADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCCc2sccc2C1 ZINC000631133699 1012786097 /nfs/dbraw/zinc/78/60/97/1012786097.db2.gz CUTSOGMBBAAWGM-UHFFFAOYSA-N -1 1 321.829 3.625 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1csc([C@@H]2CCCO2)n1 ZINC000154776587 1012988755 /nfs/dbraw/zinc/98/87/55/1012988755.db2.gz NOJQKOMNNSAKKV-LBPRGKRZSA-N -1 1 324.789 3.606 20 0 DHADMM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1cncc([O-])c1 ZINC000339878429 1012989310 /nfs/dbraw/zinc/98/93/10/1012989310.db2.gz CSSAHHMESIGYCU-JTQLQIEISA-N -1 1 324.302 3.639 20 0 DHADMM [O-]c1ccc(F)cc1-c1nc([C@@H]2CCOC3(CCCC3)C2)no1 ZINC000897187280 1017135946 /nfs/dbraw/zinc/13/59/46/1017135946.db2.gz SATUEUVLCLXHGG-LLVKDONJSA-N -1 1 318.348 3.788 20 0 DHADMM CC[C@H](C(=O)Nc1c([O-])cccc1F)c1ccc(OC)cc1 ZINC000684977131 1017148786 /nfs/dbraw/zinc/14/87/86/1017148786.db2.gz PIBQAORJCFODMB-ZDUSSCGKSA-N -1 1 303.333 3.672 20 0 DHADMM CSc1ccc([C@H](C)NC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000684989627 1017193981 /nfs/dbraw/zinc/19/39/81/1017193981.db2.gz MNMYAWHTNIEZPD-JTQLQIEISA-N -1 1 305.374 3.744 20 0 DHADMM C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc([O-])c(F)c2F)o1 ZINC000654308814 1017249197 /nfs/dbraw/zinc/24/91/97/1017249197.db2.gz DOMWYUBNNXYWBR-MWLCHTKSSA-N -1 1 321.323 3.958 20 0 DHADMM O=c1nc(COc2ccccc2)[n-]c2sc3ccccc3c21 ZINC000077491554 1017469305 /nfs/dbraw/zinc/46/93/05/1017469305.db2.gz JXDOPUFFAPGKSX-UHFFFAOYSA-N -1 1 308.362 3.717 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)C2(C3CC3)CC2)c1 ZINC000897331995 1017713804 /nfs/dbraw/zinc/71/38/04/1017713804.db2.gz YVQICCDTLBCJSA-UHFFFAOYSA-N -1 1 310.191 3.592 20 0 DHADMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000171013905 1017811840 /nfs/dbraw/zinc/81/18/40/1017811840.db2.gz GWJPOBPIIIOURA-ZDUSSCGKSA-N -1 1 305.399 3.503 20 0 DHADMM C[C@@H](Cc1nc(-c2ccc([O-])cc2Cl)no1)c1cccnc1 ZINC000445447968 1017857609 /nfs/dbraw/zinc/85/76/09/1017857609.db2.gz JRPPIYZAOGELHO-JTQLQIEISA-N -1 1 315.760 3.837 20 0 DHADMM [O-]c1ccc(-c2noc(CSc3ccccc3)n2)cc1F ZINC000445470137 1017870088 /nfs/dbraw/zinc/87/00/88/1017870088.db2.gz DEAIMXCLYTTYDV-UHFFFAOYSA-N -1 1 302.330 3.874 20 0 DHADMM Cc1cc2ccccc2n1Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445483373 1017878677 /nfs/dbraw/zinc/87/86/77/1017878677.db2.gz TWWCZTLLJHAEEP-UHFFFAOYSA-N -1 1 323.327 3.893 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cc(-c4ccccc4)[nH]n3)n2)cc1F ZINC000445475884 1017882113 /nfs/dbraw/zinc/88/21/13/1017882113.db2.gz VYRVMNQXYPNYDB-UHFFFAOYSA-N -1 1 322.299 3.638 20 0 DHADMM [O-]c1ccc(-c2nc(Cc3nccc4ccccc43)no2)c(F)c1 ZINC000445500855 1017882773 /nfs/dbraw/zinc/88/27/73/1017882773.db2.gz FFKYEHYZSNEKBG-UHFFFAOYSA-N -1 1 321.311 3.720 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cccc4cccnc43)n2)cc1F ZINC000445475794 1017883550 /nfs/dbraw/zinc/88/35/50/1017883550.db2.gz VSIPOEKVUHIYAG-UHFFFAOYSA-N -1 1 307.284 3.797 20 0 DHADMM COc1cc(C(=O)N2CCC[C@@H]2C2CCCC2)cc(Cl)c1[O-] ZINC000153634250 1017916517 /nfs/dbraw/zinc/91/65/17/1017916517.db2.gz ULQJDFYZHDNQSO-CQSZACIVSA-N -1 1 323.820 3.849 20 0 DHADMM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ncccc2[O-])o1 ZINC000153922799 1018083579 /nfs/dbraw/zinc/08/35/79/1018083579.db2.gz QXCAEAYJWRHQLL-TZMCWYRMSA-N -1 1 314.385 3.556 20 0 DHADMM COc1cc(OC)c(F)c(Nc2cc(F)c([O-])c(F)c2)c1F ZINC001213379257 1018169408 /nfs/dbraw/zinc/16/94/08/1018169408.db2.gz JCJGICAYBHVPOU-UHFFFAOYSA-N -1 1 317.238 3.709 20 0 DHADMM COCCC1(c2nc(-c3ccc([O-])cc3Cl)no2)CCC1 ZINC000278204261 1018347934 /nfs/dbraw/zinc/34/79/34/1018347934.db2.gz PSBWSQJQDHPVQT-UHFFFAOYSA-N -1 1 308.765 3.554 20 0 DHADMM CC[C@H]1C[C@H](Cc2nc(-c3ccc([O-])cc3Cl)no2)CCO1 ZINC000278215250 1018378236 /nfs/dbraw/zinc/37/82/36/1018378236.db2.gz QOCYHGHRQHPJDM-PWSUYJOCSA-N -1 1 322.792 3.843 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N(Cc1ccccc1)C1CC1 ZINC000384411442 1018483083 /nfs/dbraw/zinc/48/30/83/1018483083.db2.gz WOQSGEXPALZLRP-UHFFFAOYSA-N -1 1 301.773 3.850 20 0 DHADMM CCc1ccc(-c2noc(-c3cc([O-])cnc3Cl)n2)cc1 ZINC001213698515 1018503209 /nfs/dbraw/zinc/50/32/09/1018503209.db2.gz YVCUPHYUGDTVKU-UHFFFAOYSA-N -1 1 301.733 3.720 20 0 DHADMM Cc1c2cccc(F)c2oc1C(=O)Nc1ccc(F)cc1[O-] ZINC000676056042 1018650180 /nfs/dbraw/zinc/65/01/80/1018650180.db2.gz QWTJOQQXYZNGHJ-UHFFFAOYSA-N -1 1 303.264 3.977 20 0 DHADMM O=C(Nc1ncc(Cl)s1)c1cc2ccccc2cc1[O-] ZINC000218530233 1018733293 /nfs/dbraw/zinc/73/32/93/1018733293.db2.gz UYAYPOPSSPIXDY-UHFFFAOYSA-N -1 1 304.758 3.908 20 0 DHADMM CC(C)N1CCC[C@H]1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000935171162 1018869734 /nfs/dbraw/zinc/86/97/34/1018869734.db2.gz RZZCGMZDDBAFFG-LBPRGKRZSA-N -1 1 317.216 3.510 20 0 DHADMM CCCCCc1nnc([N-]C(=O)c2c(F)cccc2F)s1 ZINC000014714527 1018885459 /nfs/dbraw/zinc/88/54/59/1018885459.db2.gz NYJZJSOWZXEVOI-UHFFFAOYSA-N -1 1 311.357 3.801 20 0 DHADMM C[C@H]1CCc2sc(C(=O)Nc3cccc(F)c3[O-])cc2C1 ZINC001171632833 1032797727 /nfs/dbraw/zinc/79/77/27/1032797727.db2.gz SFUMAGODMUQRAD-VIFPVBQESA-N -1 1 305.374 3.970 20 0 DHADMM Cc1sc([C@H](C)NCc2c(C)cccc2C)nc1C(=O)[O-] ZINC000900075033 1018985378 /nfs/dbraw/zinc/98/53/78/1018985378.db2.gz IOKPBTNSUKUPJW-NSHDSACASA-N -1 1 304.415 3.617 20 0 DHADMM CCCOc1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000032599762 1019243105 /nfs/dbraw/zinc/24/31/05/1019243105.db2.gz JITUMDUCEMMRBA-UHFFFAOYSA-N -1 1 319.426 3.893 20 0 DHADMM COc1cc(C)c(NC(=O)c2ccc([O-])c(F)c2)c(C)c1C ZINC000672494696 1019252074 /nfs/dbraw/zinc/25/20/74/1019252074.db2.gz MWINGUCOCQQHHA-UHFFFAOYSA-N -1 1 303.333 3.717 20 0 DHADMM Nc1cccc2c(Cl)nn(-c3cc(F)c([O-])c(Cl)c3)c21 ZINC001214494713 1019307301 /nfs/dbraw/zinc/30/73/01/1019307301.db2.gz XMCPRMHCVKZULV-UHFFFAOYSA-N -1 1 312.131 3.759 20 0 DHADMM Cc1noc(C)c1[C@@H](C)NC(=O)c1ccc2ccccc2c1[O-] ZINC000113836411 1019399558 /nfs/dbraw/zinc/39/95/58/1019399558.db2.gz QBBMYQPCGGUPOP-SNVBAGLBSA-N -1 1 310.353 3.641 20 0 DHADMM Cc1nc(CC2CC2)sc1C(=O)Nc1c([O-])cccc1F ZINC000682810186 1019687453 /nfs/dbraw/zinc/68/74/53/1019687453.db2.gz XZPZYTNMFMVYAO-UHFFFAOYSA-N -1 1 306.362 3.501 20 0 DHADMM Cc1noc(C)c1[N-]C(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000063489155 1019804200 /nfs/dbraw/zinc/80/42/00/1019804200.db2.gz HWLMPBYRXUNLCE-UHFFFAOYSA-N -1 1 317.732 3.852 20 0 DHADMM CN(Cc1ccc(Cl)s1)C(=O)c1c(F)ccc([O-])c1F ZINC000347697355 1019824130 /nfs/dbraw/zinc/82/41/30/1019824130.db2.gz YRZCMVCDMXYYTK-UHFFFAOYSA-N -1 1 317.744 3.658 20 0 DHADMM Cc1cc(C(F)F)oc1C(=O)[N-]c1c(C)onc1OC(F)F ZINC000875616433 1032864479 /nfs/dbraw/zinc/86/44/79/1032864479.db2.gz FINVCACOMQLAMA-UHFFFAOYSA-N -1 1 322.214 3.676 20 0 DHADMM O=C(OCc1cscn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000730358463 1019979396 /nfs/dbraw/zinc/97/93/96/1019979396.db2.gz BIQYBMCQAZPLTH-UHFFFAOYSA-N -1 1 304.154 3.513 20 0 DHADMM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1 ZINC000673478095 1019984564 /nfs/dbraw/zinc/98/45/64/1019984564.db2.gz FZWMLUZCJFTDQH-UHFFFAOYSA-N -1 1 315.316 3.873 20 0 DHADMM CCCCCC(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1 ZINC000068435319 1020024275 /nfs/dbraw/zinc/02/42/75/1020024275.db2.gz UDVQOMDTXGVKEB-UHFFFAOYSA-N -1 1 324.494 3.808 20 0 DHADMM CN(CCCCCC(=O)[O-])Cc1ccccc1Br ZINC000083679450 1020112499 /nfs/dbraw/zinc/11/24/99/1020112499.db2.gz AAMPGKQXPUXNDZ-UHFFFAOYSA-N -1 1 314.223 3.526 20 0 DHADMM COCOc1ccc(Cl)cc1[N-]c1noc(C(C)(C)C)n1 ZINC001214415796 1020234313 /nfs/dbraw/zinc/23/43/13/1020234313.db2.gz AASNFTCEKXNKHX-UHFFFAOYSA-N -1 1 311.769 3.747 20 0 DHADMM [O-]c1ccc(-c2noc(-c3conc3C3CCCC3)n2)c(F)c1 ZINC000866975242 1020269723 /nfs/dbraw/zinc/26/97/23/1020269723.db2.gz YNHABZOMDFNPQN-UHFFFAOYSA-N -1 1 315.304 3.894 20 0 DHADMM O=c1nc(NC[C@H]2CCC[C@@H](C(F)(F)F)C2)cc(Cl)[n-]1 ZINC000858440242 1032897097 /nfs/dbraw/zinc/89/70/97/1032897097.db2.gz OGBXZLQSEOLSOB-JGVFFNPUSA-N -1 1 309.719 3.616 20 0 DHADMM O=C(/C=C/c1cnc(-c2ccccc2)nc1)c1ccc([O-])cc1 ZINC000053090863 1020483196 /nfs/dbraw/zinc/48/31/96/1020483196.db2.gz YLNFYXLMHWTMGX-IZZDOVSWSA-N -1 1 302.333 3.745 20 0 DHADMM O=C(NCc1coc2ccccc12)c1c([O-])cccc1Cl ZINC000734020760 1020546253 /nfs/dbraw/zinc/54/62/53/1020546253.db2.gz YVDNMJFMSPNLEN-UHFFFAOYSA-N -1 1 301.729 3.722 20 0 DHADMM CC1(c2noc(-c3[n-]cnc3C(=O)c3ccccc3)n2)CCCC1 ZINC000624758773 1020554926 /nfs/dbraw/zinc/55/49/26/1020554926.db2.gz DLSRTDIBKYSRFJ-UHFFFAOYSA-N -1 1 322.368 3.522 20 0 DHADMM Cc1ccc2c(Cl)c(C(=O)Nc3ccncc3[O-])sc2c1 ZINC000673936082 1020555955 /nfs/dbraw/zinc/55/59/55/1020555955.db2.gz URCIYVQDNNXKSA-UHFFFAOYSA-N -1 1 318.785 3.638 20 0 DHADMM [O-]c1cc2c(cc1-c1nc(-c3ccc(Cl)s3)no1)OCO2 ZINC000445558354 1020579312 /nfs/dbraw/zinc/57/93/12/1020579312.db2.gz QAHULENXPJFDFL-UHFFFAOYSA-N -1 1 322.729 3.553 20 0 DHADMM CC(C)(C)C1=CCN(C(=O)c2ncc3ccccc3c2[O-])CC1 ZINC000613042552 1020787249 /nfs/dbraw/zinc/78/72/49/1020787249.db2.gz INNNYCFVCATHDG-UHFFFAOYSA-N -1 1 310.397 3.759 20 0 DHADMM O=c1nc(N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)cc(Cl)[n-]1 ZINC000858524023 1032932347 /nfs/dbraw/zinc/93/23/47/1032932347.db2.gz BQWFEQZRJJJBFM-ZYHUDNBSSA-N -1 1 307.756 3.723 20 0 DHADMM O=c1nc(N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)cc(Cl)[n-]1 ZINC000858521966 1032932745 /nfs/dbraw/zinc/93/27/45/1032932745.db2.gz UMTRGTLVGJITGU-PWSUYJOCSA-N -1 1 307.756 3.723 20 0 DHADMM C[C@@H]1CN(C(=O)c2ncc3ccccc3c2[O-])[C@@H]2CCCC[C@H]21 ZINC000613398835 1020934095 /nfs/dbraw/zinc/93/40/95/1020934095.db2.gz MBEJAKQZCZSORW-IVMMDQJWSA-N -1 1 310.397 3.591 20 0 DHADMM Cc1ccc(C(C)C)c(OS(=O)(=O)c2cnc(C(C)C)[n-]2)c1 ZINC000741157769 1020985404 /nfs/dbraw/zinc/98/54/04/1020985404.db2.gz XVRRWOSBVVJBAU-UHFFFAOYSA-N -1 1 322.430 3.733 20 0 DHADMM Cc1ccc(C(C)C)c(OS(=O)(=O)c2c[n-]c(C(C)C)n2)c1 ZINC000741157769 1020985414 /nfs/dbraw/zinc/98/54/14/1020985414.db2.gz XVRRWOSBVVJBAU-UHFFFAOYSA-N -1 1 322.430 3.733 20 0 DHADMM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000175393710 1021042266 /nfs/dbraw/zinc/04/22/66/1021042266.db2.gz CHRMUDAEKZLIEH-VXGBXAGGSA-N -1 1 313.850 3.792 20 0 DHADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@@H](C2CCCCC2)C1 ZINC000618186817 1021319330 /nfs/dbraw/zinc/31/93/30/1021319330.db2.gz SZZRETNOQGRMHP-GFCCVEGCSA-N -1 1 309.356 3.713 20 0 DHADMM Cc1ccc(CC[C@H](C)NC(=O)c2c([O-])cccc2Cl)o1 ZINC000743719268 1021356663 /nfs/dbraw/zinc/35/66/63/1021356663.db2.gz XDCAZRXJIURYQG-JTQLQIEISA-N -1 1 307.777 3.698 20 0 DHADMM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000108792253 1021375767 /nfs/dbraw/zinc/37/57/67/1021375767.db2.gz IENGPJWCKHVZJP-KZNAEPCWSA-N -1 1 311.381 3.518 20 0 DHADMM CCOc1cc(C(=O)NCCCC2CCC2)cc(Cl)c1[O-] ZINC000618619857 1021456219 /nfs/dbraw/zinc/45/62/19/1021456219.db2.gz ZKDMRAMFRWJVTD-UHFFFAOYSA-N -1 1 311.809 3.754 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)C1(c2ccc(F)cc2)CC1 ZINC000129534273 1021507117 /nfs/dbraw/zinc/50/71/17/1021507117.db2.gz MYZRLLHYZIAHPT-UHFFFAOYSA-N -1 1 305.736 3.855 20 0 DHADMM C[C@@H](c1ccco1)N(C(=O)c1ncc2ccccc2c1[O-])C1CC1 ZINC000667048724 1032985382 /nfs/dbraw/zinc/98/53/82/1032985382.db2.gz IGVRWWJBTJYWBZ-LBPRGKRZSA-N -1 1 322.364 3.899 20 0 DHADMM CCCCC[C@H](C)CC(=O)Nc1[n-]c(C(=O)OC)cc1C(C)=O ZINC001625887998 1021523615 /nfs/dbraw/zinc/52/36/15/1021523615.db2.gz PWBOUQSABCOENE-NSHDSACASA-N -1 1 322.405 3.549 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)CC2CCCCC2)c1 ZINC000744464512 1021554908 /nfs/dbraw/zinc/55/49/08/1021554908.db2.gz RBONNPUCQPMZJM-UHFFFAOYSA-N -1 1 304.386 3.651 20 0 DHADMM CC1(C(=O)[O-])CCN(Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000317341859 1021677299 /nfs/dbraw/zinc/67/72/99/1021677299.db2.gz YEEGTFMFYDPRBB-UHFFFAOYSA-N -1 1 319.298 3.531 20 0 DHADMM O=C(OCc1cccc2cccnc21)c1c([O-])cc(F)cc1F ZINC000745514931 1021725026 /nfs/dbraw/zinc/72/50/26/1021725026.db2.gz CBFLLCYYWFMBSF-UHFFFAOYSA-N -1 1 315.275 3.576 20 0 DHADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1ccoc1 ZINC000556850585 1021890779 /nfs/dbraw/zinc/89/07/79/1021890779.db2.gz PCFJREYOWCTGQN-UHFFFAOYSA-N -1 1 316.538 3.653 20 0 DHADMM C[C@@H]1[C@H](C(=O)[O-])CCCN1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000263043421 1022032579 /nfs/dbraw/zinc/03/25/79/1022032579.db2.gz JIIYTMITMXZRQZ-NOZJJQNGSA-N -1 1 319.298 3.530 20 0 DHADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000263336248 1022050976 /nfs/dbraw/zinc/05/09/76/1022050976.db2.gz MNNIOVXQOKGHDR-MWLCHTKSSA-N -1 1 302.201 3.536 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)[C@H]1CCSc2ccccc21 ZINC001625894485 1022064117 /nfs/dbraw/zinc/06/41/17/1022064117.db2.gz ZBSZKHWTGXXQLM-JTQLQIEISA-N -1 1 321.348 3.889 20 0 DHADMM COc1ccc([C@H](C)NC(=O)c2c([O-])cccc2Cl)cc1 ZINC000920445139 1022121979 /nfs/dbraw/zinc/12/19/79/1022121979.db2.gz OOCPYVGFGXASKU-JTQLQIEISA-N -1 1 305.761 3.545 20 0 DHADMM C[C@@H](CCc1ccccc1)NC(=O)c1c([O-])cccc1Cl ZINC000920430522 1022125430 /nfs/dbraw/zinc/12/54/30/1022125430.db2.gz YNPAKPKRPGVOGE-LBPRGKRZSA-N -1 1 303.789 3.797 20 0 DHADMM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000620430884 1022149559 /nfs/dbraw/zinc/14/95/59/1022149559.db2.gz RQMZEACOCGRGEL-CLYYMRHHSA-N -1 1 313.319 3.814 20 0 DHADMM O=C([N-]Cc1ccc(F)c(F)c1)C(F)(F)c1ccc(F)cc1 ZINC000920845908 1022183852 /nfs/dbraw/zinc/18/38/52/1022183852.db2.gz YDMKFPLZCICAKG-UHFFFAOYSA-N -1 1 315.241 3.512 20 0 DHADMM O=C(NCc1ccc([O-])c(Cl)c1)N1CCC[C@H]1C1CCC1 ZINC000876393513 1033035600 /nfs/dbraw/zinc/03/56/00/1033035600.db2.gz IUZBMPXHAAVXQV-AWEZNQCLSA-N -1 1 308.809 3.520 20 0 DHADMM N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000183704231 1022309619 /nfs/dbraw/zinc/30/96/19/1022309619.db2.gz GVWYZINTDKGSFL-XFFZJAGNSA-N -1 1 316.719 3.730 20 0 DHADMM CCc1cccc(CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000337525255 1033049742 /nfs/dbraw/zinc/04/97/42/1033049742.db2.gz BDCZYHYAAIWAST-UHFFFAOYSA-N -1 1 321.380 3.526 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@H]1CCCc2cccnc21 ZINC000885678439 1022461595 /nfs/dbraw/zinc/46/15/95/1022461595.db2.gz PCSGYRMMXVJMMN-JTQLQIEISA-N -1 1 320.751 3.638 20 0 DHADMM O=C(CC1CCC(c2ccccc2)CC1)[N-]OCC(F)(F)F ZINC000766762023 1022465121 /nfs/dbraw/zinc/46/51/21/1022465121.db2.gz KUCIPDJQDVANEK-UHFFFAOYSA-N -1 1 315.335 3.961 20 0 DHADMM CCCCCCOc1ccc(C(=O)Nc2c(C)[n-][nH]c2=O)cc1 ZINC000854634601 1022506810 /nfs/dbraw/zinc/50/68/10/1022506810.db2.gz FFIJEQIZRJDONZ-UHFFFAOYSA-N -1 1 317.389 3.635 20 0 DHADMM O=C(CC[C@@H]1CC1(Cl)Cl)Nc1ccc([O-])c(F)c1F ZINC000854887479 1022541236 /nfs/dbraw/zinc/54/12/36/1022541236.db2.gz ZVTSITJIDFIVRZ-ZCFIWIBFSA-N -1 1 310.127 3.583 20 0 DHADMM O=C(NC1(c2c(F)cccc2F)CCC1)c1ccc([O-])cc1F ZINC001169964174 1022604371 /nfs/dbraw/zinc/60/43/71/1022604371.db2.gz VLHCJORMMMIUMI-UHFFFAOYSA-N -1 1 321.298 3.619 20 0 DHADMM CCc1nc(NC(=O)Cc2ccc([O-])c(Cl)c2)sc1C ZINC000630783565 1022625060 /nfs/dbraw/zinc/62/50/60/1022625060.db2.gz SKFSIQWMESMTSJ-UHFFFAOYSA-N -1 1 310.806 3.554 20 0 DHADMM Cc1cc(C)nc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)c1 ZINC000162385822 1022687151 /nfs/dbraw/zinc/68/71/51/1022687151.db2.gz QTRVELPKTNWIED-BQYQJAHWSA-N -1 1 322.817 3.764 20 0 DHADMM Cc1cc(C(=O)Nc2c([O-])cccc2F)c2nccc(C)c2c1 ZINC000670814520 1022694211 /nfs/dbraw/zinc/69/42/11/1022694211.db2.gz CYNKKUZILCATCU-UHFFFAOYSA-N -1 1 310.328 3.949 20 0 DHADMM COC(=O)c1c(F)ccc(SC)c1-c1cccc(F)c1[O-] ZINC001242353543 1022713885 /nfs/dbraw/zinc/71/38/85/1022713885.db2.gz GYYCPPWSTNMXLE-UHFFFAOYSA-N -1 1 310.321 3.846 20 0 DHADMM O=C(NC1CCC2(CC2(F)F)CC1)c1c([O-])cccc1Cl ZINC000855961134 1022730338 /nfs/dbraw/zinc/73/03/38/1022730338.db2.gz ZTVJKWLMUMLNQX-UHFFFAOYSA-N -1 1 315.747 3.743 20 0 DHADMM O=C(c1ncc2ccccc2c1[O-])N1CCCC[C@@H]1C1CCC1 ZINC000616507698 1022732973 /nfs/dbraw/zinc/73/29/73/1022732973.db2.gz UEDWERDKUDXMNX-MRXNPFEDSA-N -1 1 310.397 3.735 20 0 DHADMM CC(C)c1nnc([N-]C(=O)c2c(F)ccc(F)c2Cl)s1 ZINC000621429832 1022751801 /nfs/dbraw/zinc/75/18/01/1022751801.db2.gz CZKFDISENBKQAK-UHFFFAOYSA-N -1 1 317.748 3.845 20 0 DHADMM Oc1cccnc1C[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000584806577 1022760652 /nfs/dbraw/zinc/76/06/52/1022760652.db2.gz NJCJZDLPCUETQG-OAHLLOKOSA-N -1 1 309.369 3.656 20 0 DHADMM COC(=O)c1c(C)cc(Nc2cc(F)c([O-])cc2F)cc1C ZINC001213124138 1022771350 /nfs/dbraw/zinc/77/13/50/1022771350.db2.gz SBZICDTZPGRTLC-UHFFFAOYSA-N -1 1 307.296 3.817 20 0 DHADMM Cc1ccc(OCCCNC(=O)c2c([O-])cccc2Cl)cc1 ZINC000725901050 1022850985 /nfs/dbraw/zinc/85/09/85/1022850985.db2.gz YLHLIROUJWCFTL-UHFFFAOYSA-N -1 1 319.788 3.553 20 0 DHADMM COc1ccc(-c2nc(C[C@@H]3C[C@H]3c3ccccc3)no2)c([O-])c1 ZINC000621805093 1022889188 /nfs/dbraw/zinc/88/91/88/1022889188.db2.gz RVHUNFSKHGGUFP-BBRMVZONSA-N -1 1 322.364 3.797 20 0 DHADMM Cc1nc(SCc2coc(-c3ccccc3)n2)[n-]c(=O)c1C ZINC000538515148 1033088763 /nfs/dbraw/zinc/08/87/63/1033088763.db2.gz JIQIFCCGXNRMPO-UHFFFAOYSA-N -1 1 313.382 3.746 20 0 DHADMM O=C(c1ccc([O-])c(F)c1)N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000617920160 1023096998 /nfs/dbraw/zinc/09/69/98/1023096998.db2.gz ZVXHBBRCYWDISD-INIZCTEOSA-N -1 1 315.344 3.882 20 0 DHADMM Cc1ccc([O-])c(C(=O)/C=C/c2cncc(Br)c2)c1 ZINC000184758297 1023107035 /nfs/dbraw/zinc/10/70/35/1023107035.db2.gz CKDKYXAATNVSTG-HWKANZROSA-N -1 1 318.170 3.754 20 0 DHADMM CCc1csc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])n1 ZINC000622356635 1023125235 /nfs/dbraw/zinc/12/52/35/1023125235.db2.gz SIMKJWRXXLSKCK-UHFFFAOYSA-N -1 1 316.304 3.682 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@H]1Cc1ccccc1 ZINC000769636684 1023184563 /nfs/dbraw/zinc/18/45/63/1023184563.db2.gz FUDWWZUBAZONDF-AWEZNQCLSA-N -1 1 315.800 3.893 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@@H]1c1ccc(O)cc1 ZINC000769993089 1023257840 /nfs/dbraw/zinc/25/78/40/1023257840.db2.gz HHAUJEMFTPAMAN-CQSZACIVSA-N -1 1 317.772 3.729 20 0 DHADMM COc1cccc(NC(=O)c2ccc3ccccc3c2[O-])c1F ZINC000770072271 1023272491 /nfs/dbraw/zinc/27/24/91/1023272491.db2.gz VXCMPIAWVGQWIU-UHFFFAOYSA-N -1 1 311.312 3.945 20 0 DHADMM Cc1cnc([C@@H](C)OC(=O)c2ccc(Cl)c(Cl)c2[O-])o1 ZINC000770974013 1023378023 /nfs/dbraw/zinc/37/80/23/1023378023.db2.gz MNADTLCTBZNCKD-SSDOTTSWSA-N -1 1 316.140 3.913 20 0 DHADMM O=C(c1cncc([O-])c1)N1CCCC[C@H]1CCCc1ccccc1 ZINC000337670014 1033128827 /nfs/dbraw/zinc/12/88/27/1033128827.db2.gz WYXYSRHLQPDVMK-SFHVURJKSA-N -1 1 324.424 3.805 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cc(Cl)c(Cl)[nH]3)n2)cc1F ZINC000771227084 1023407459 /nfs/dbraw/zinc/40/74/59/1023407459.db2.gz ZMQFGSZMKDWVFP-UHFFFAOYSA-N -1 1 314.103 3.883 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H]2CCCC2(C)C)c1 ZINC000772614061 1023572670 /nfs/dbraw/zinc/57/26/70/1023572670.db2.gz GGBCXXFJHQPURY-HNNXBMFYSA-N -1 1 304.386 3.507 20 0 DHADMM COc1cc(C(=O)N2CCc3cc(C)ccc32)cc(Cl)c1[O-] ZINC000785625519 1023600618 /nfs/dbraw/zinc/60/06/18/1023600618.db2.gz QIRZVSXNDXVEAN-UHFFFAOYSA-N -1 1 317.772 3.566 20 0 DHADMM CCc1ccc(C(=O)N2C[C@@H](C)Oc3cc(C)ccc32)c([O-])c1 ZINC000787114596 1023757626 /nfs/dbraw/zinc/75/76/26/1023757626.db2.gz LKJIWNLZNJJPCG-CYBMUJFWSA-N -1 1 311.381 3.691 20 0 DHADMM CC(C)(C)c1ccc([C@@H]([N-]C(=O)C(F)F)C(F)(F)F)cc1 ZINC000787191546 1023772320 /nfs/dbraw/zinc/77/23/20/1023772320.db2.gz MYZPDSIZEUINAG-SNVBAGLBSA-N -1 1 309.278 3.969 20 0 DHADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000048653038 1023801069 /nfs/dbraw/zinc/80/10/69/1023801069.db2.gz KCYARCKFBABNBZ-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(Cl)c(F)c1 ZINC000048655360 1023802877 /nfs/dbraw/zinc/80/28/77/1023802877.db2.gz OSLZOSYPUISKMV-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CC(Cc2cccs2)C1 ZINC001170081011 1023843318 /nfs/dbraw/zinc/84/33/18/1023843318.db2.gz VHQAEQOTGONGPX-UHFFFAOYSA-N -1 1 323.417 3.922 20 0 DHADMM Cc1cc([C@H](C)N(C)Cc2ccc(F)c(C)c2)oc1C(=O)[O-] ZINC000652446622 1023870908 /nfs/dbraw/zinc/87/09/08/1023870908.db2.gz ODRKLHMYRSFZJG-LBPRGKRZSA-N -1 1 305.349 3.927 20 0 DHADMM C[C@@H](c1ccccc1Cl)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000251535728 1023924574 /nfs/dbraw/zinc/92/45/74/1023924574.db2.gz NOTGUZXLORUDOH-ZANVPECISA-N -1 1 321.726 3.740 20 0 DHADMM C[C@@H]1CN(Cc2cccc(Cl)c2Cl)CC[C@@H]1C(=O)[O-] ZINC000302560965 1023977346 /nfs/dbraw/zinc/97/73/46/1023977346.db2.gz YHAHKQMTASJVTP-KOLCDFICSA-N -1 1 302.201 3.536 20 0 DHADMM CCc1cc(=O)[n-]c(SC[C@@H]2CC[C@H](c3ccccc3)O2)n1 ZINC000882154999 1023979899 /nfs/dbraw/zinc/97/98/99/1023979899.db2.gz CMGMNRCDMVLAQL-LSDHHAIUSA-N -1 1 316.426 3.757 20 0 DHADMM Cc1cnc(SC[C@@H]2CC[C@H](c3ccccc3)O2)[n-]c1=O ZINC000882174942 1023986545 /nfs/dbraw/zinc/98/65/45/1023986545.db2.gz XWXNZHDBJAEPRU-UONOGXRCSA-N -1 1 302.399 3.503 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])C1(c2ccccc2)CCC1 ZINC000789930241 1024184812 /nfs/dbraw/zinc/18/48/12/1024184812.db2.gz ODWUVNWCBZBNAS-UHFFFAOYSA-N -1 1 302.761 3.501 20 0 DHADMM Cc1cc(C(=O)Nc2nc(Cl)ccc2[O-])c(C)n1C(C)C ZINC000789929667 1024184952 /nfs/dbraw/zinc/18/49/52/1024184952.db2.gz ASTNUYKLNJZHMQ-UHFFFAOYSA-N -1 1 307.781 3.692 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])C1CCC(C(F)(F)F)CC1 ZINC000790048347 1024212838 /nfs/dbraw/zinc/21/28/38/1024212838.db2.gz SSJKGNHHFVZZEL-UHFFFAOYSA-N -1 1 322.714 3.748 20 0 DHADMM C[C@H](NC(=O)c1c([O-])cccc1Cl)[C@@H](C)c1ccccc1 ZINC000746893192 1024271846 /nfs/dbraw/zinc/27/18/46/1024271846.db2.gz BHRLWDLKXNPVHH-NEPJUHHUSA-N -1 1 303.789 3.968 20 0 DHADMM Cc1cccc(OCCCC(=O)Nc2ccc(F)cc2[O-])c1 ZINC000531755574 1024297669 /nfs/dbraw/zinc/29/76/69/1024297669.db2.gz CRDZHPQZHVUBAH-UHFFFAOYSA-N -1 1 303.333 3.637 20 0 DHADMM CC(C)c1ccc(C(=O)N2CCn3c4ccccc4nc32)c([O-])c1 ZINC000271192510 1024468657 /nfs/dbraw/zinc/46/86/57/1024468657.db2.gz GOAZLQSSMNYVHD-UHFFFAOYSA-N -1 1 321.380 3.526 20 0 DHADMM C[C@H](NC(=O)c1c([O-])cccc1Cl)c1ccc(Cl)cn1 ZINC000792448561 1024670433 /nfs/dbraw/zinc/67/04/33/1024670433.db2.gz QSOCQEVEIGRING-QMMMGPOBSA-N -1 1 311.168 3.585 20 0 DHADMM C[C@H](Oc1cnnc(=S)[n-]1)c1ccc(Cl)c(Cl)c1 ZINC001228642523 1024702367 /nfs/dbraw/zinc/70/23/67/1024702367.db2.gz QEOAZDSZPITUBD-LURJTMIESA-N -1 1 302.186 3.607 20 0 DHADMM O=C(Nc1cc(F)ccc1F)Nc1cc([O-])c(F)cc1F ZINC001202658317 1024786292 /nfs/dbraw/zinc/78/62/92/1024786292.db2.gz ONJHBXJODUYDTH-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)/C(C)=C\C(C)(C)C)c1 ZINC000772821159 1024794738 /nfs/dbraw/zinc/79/47/38/1024794738.db2.gz IGONBEGQJFWDRF-QXMHVHEDSA-N -1 1 304.386 3.673 20 0 DHADMM O=C([N-]c1nnc(C(F)(F)F)s1)c1sccc1Cl ZINC000350653258 1024837780 /nfs/dbraw/zinc/83/77/80/1024837780.db2.gz DVAVMVHHLCONSC-UHFFFAOYSA-N -1 1 313.713 3.524 20 0 DHADMM CCCCc1nnc([N-]C(=O)c2ccc(F)c(F)c2F)s1 ZINC000170584536 1024841268 /nfs/dbraw/zinc/84/12/68/1024841268.db2.gz NFDXPBKLCWAHSG-UHFFFAOYSA-N -1 1 315.320 3.550 20 0 DHADMM COc1cc(CSc2nc(C(F)F)cc(=O)[n-]2)ccc1C ZINC001307352416 1025022452 /nfs/dbraw/zinc/02/24/52/1025022452.db2.gz KJQUYRPDJONUMF-UHFFFAOYSA-N -1 1 312.341 3.729 20 0 DHADMM [O-]c1cccc(CN2CCOc3c(F)cccc3C2)c1Cl ZINC000353323519 1025026262 /nfs/dbraw/zinc/02/62/62/1025026262.db2.gz ZJZSQCZYULKUCY-UHFFFAOYSA-N -1 1 307.752 3.579 20 0 DHADMM CC(C)C1(c2ccccc2)CN(C(=O)c2cccc([O-])c2F)C1 ZINC001299476683 1025194748 /nfs/dbraw/zinc/19/47/48/1025194748.db2.gz UVIZAHBBEIAGKS-UHFFFAOYSA-N -1 1 313.372 3.581 20 0 DHADMM CC[C@H](C(=O)[N-]OCCSC)c1cccc(C(F)(F)F)c1 ZINC000794194404 1025234917 /nfs/dbraw/zinc/23/49/17/1025234917.db2.gz CFRYUVRJZNYIPC-LBPRGKRZSA-N -1 1 321.364 3.610 20 0 DHADMM O=S(=O)([N-]c1ccc2[nH]ccc2c1)c1cccc2ncccc21 ZINC000112850727 1025354587 /nfs/dbraw/zinc/35/45/87/1025354587.db2.gz LPHWEZWQIAVALX-UHFFFAOYSA-N -1 1 323.377 3.517 20 0 DHADMM CCc1cc([N-]S(=O)(=O)c2cccc(COC)c2)ccc1C ZINC000182433197 1025379628 /nfs/dbraw/zinc/37/96/28/1025379628.db2.gz XUFWPNNKXHFMTD-UHFFFAOYSA-N -1 1 319.426 3.505 20 0 DHADMM Cc1noc(C)c1[C@@H](C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885674787 1025379443 /nfs/dbraw/zinc/37/94/43/1025379443.db2.gz VMFBPKKIADLCRD-ZCFIWIBFSA-N -1 1 312.728 3.532 20 0 DHADMM COc1ncc(Nc2ccc(F)c(F)c2[O-])cc1C(F)(F)F ZINC001212802780 1025470338 /nfs/dbraw/zinc/47/03/38/1025470338.db2.gz JBADKCMHXHDAGU-UHFFFAOYSA-N -1 1 320.217 3.836 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2ccc(F)c([C@H](C)O)c2)c([O-])c1 ZINC000804800753 1025473131 /nfs/dbraw/zinc/47/31/31/1025473131.db2.gz OKAFSGUJNKWMDX-NSHDSACASA-N -1 1 317.360 3.960 20 0 DHADMM CCC(CC)CCCN(C)C(=O)c1cc(C)cc(C=O)c1[O-] ZINC001168260475 1025491116 /nfs/dbraw/zinc/49/11/16/1025491116.db2.gz OYUREGRCMSCBLG-UHFFFAOYSA-N -1 1 305.418 3.802 20 0 DHADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc2[nH]ccc21 ZINC000110140395 1025605706 /nfs/dbraw/zinc/60/57/06/1025605706.db2.gz FUAOAKWBAVIIOT-UHFFFAOYSA-N -1 1 320.801 3.931 20 0 DHADMM Cc1nc2ccc([N-]S(=O)(=O)c3cccc(C)c3)cc2s1 ZINC000047367711 1025620487 /nfs/dbraw/zinc/62/04/87/1025620487.db2.gz FOSVPVHMXAHHMZ-UHFFFAOYSA-N -1 1 318.423 3.714 20 0 DHADMM O=C(c1c([O-])cnc2ccccc21)N1CC[C@@H](c2ccccc2)C1 ZINC000136513466 1025865890 /nfs/dbraw/zinc/86/58/90/1025865890.db2.gz DRRQNAGWHVYTBO-OAHLLOKOSA-N -1 1 318.376 3.570 20 0 DHADMM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1cncs1 ZINC000343109747 1025881112 /nfs/dbraw/zinc/88/11/12/1025881112.db2.gz RDPRIQUBRGNVDZ-UHFFFAOYSA-N -1 1 322.802 3.567 20 0 DHADMM O=C(Nc1ccc(Cl)cc1[O-])c1csc(C(F)(F)F)n1 ZINC000193690335 1025943932 /nfs/dbraw/zinc/94/39/32/1025943932.db2.gz PUMVIDKCEYHJHU-UHFFFAOYSA-N -1 1 322.695 3.773 20 0 DHADMM C[C@@H](c1cc(Cl)ccc1Cl)N1CCC[C@H](C(=O)[O-])C1 ZINC000086728646 1026022887 /nfs/dbraw/zinc/02/28/87/1026022887.db2.gz PBNHYKBSVDYYRM-UWVGGRQHSA-N -1 1 302.201 3.851 20 0 DHADMM Cc1nc2cc(NCc3cccc(O)c3Cl)ccc2n1C ZINC000645166806 1026042012 /nfs/dbraw/zinc/04/20/12/1026042012.db2.gz YHVOJDBJLYPQAP-UHFFFAOYSA-N -1 1 301.777 3.853 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC[C@@H]1CCCC[C@H]1C ZINC000747396117 1026063247 /nfs/dbraw/zinc/06/32/47/1026063247.db2.gz VYGYYNGHMDBYLA-OCCSQVGLSA-N -1 1 319.449 3.560 20 0 DHADMM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1ccc([O-])cn1 ZINC001137242513 1026171133 /nfs/dbraw/zinc/17/11/33/1026171133.db2.gz KIZSIPAXKBADAC-VXGBXAGGSA-N -1 1 318.804 3.705 20 0 DHADMM CC(C)Sc1c(Cl)cccc1[N-]C(=O)c1csnn1 ZINC000122218793 1026178080 /nfs/dbraw/zinc/17/80/80/1026178080.db2.gz QWGNDRPBOOUQJQ-UHFFFAOYSA-N -1 1 313.835 3.944 20 0 DHADMM C[C@@H](CCCC(F)(F)F)NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000632759060 1026184925 /nfs/dbraw/zinc/18/49/25/1026184925.db2.gz YYBUBIVKIQISBR-VIFPVBQESA-N -1 1 323.742 3.825 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(Cl)c2ncccc12 ZINC000513622312 1026547168 /nfs/dbraw/zinc/54/71/68/1026547168.db2.gz QAWJJKSTOPHTFA-UHFFFAOYSA-N -1 1 316.719 3.985 20 0 DHADMM CC(C)N(C)c1cccc(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000809676466 1026591725 /nfs/dbraw/zinc/59/17/25/1026591725.db2.gz SULOZXOWRJEUBQ-UHFFFAOYSA-N -1 1 320.339 3.767 20 0 DHADMM CCC[C@H](C)c1cc(NC(=O)c2c(F)ccc([O-])c2F)n[nH]1 ZINC000280723553 1026697232 /nfs/dbraw/zinc/69/72/32/1026697232.db2.gz HQVSTDMRVNSMEP-QMMMGPOBSA-N -1 1 309.316 3.549 20 0 DHADMM Cc1c(NCc2cccc([O-])c2Cl)cnn1C1CCOCC1 ZINC000295168025 1027127754 /nfs/dbraw/zinc/12/77/54/1027127754.db2.gz TVOAZDWGPXQOBR-UHFFFAOYSA-N -1 1 321.808 3.514 20 0 DHADMM C[C@H](C(=O)[N-]OC/C=C\Cl)c1ccc(Cl)c(Cl)c1 ZINC000812407754 1027282786 /nfs/dbraw/zinc/28/27/86/1027282786.db2.gz YYVYPWFNISGZQN-YAPUSRSVSA-N -1 1 308.592 3.897 20 0 DHADMM C[C@H](C(=O)[N-]OC1CCCC1)c1cccc(Br)c1 ZINC000812543043 1027315589 /nfs/dbraw/zinc/31/55/89/1027315589.db2.gz NWXSQTCTYZAANS-JTQLQIEISA-N -1 1 312.207 3.543 20 0 DHADMM C[C@]1(C(=O)[O-])CCCN(Cc2csc(C3CCCCC3)n2)C1 ZINC000574164495 1027369212 /nfs/dbraw/zinc/36/92/12/1027369212.db2.gz LQMIAXWMCCKTGO-KRWDZBQOSA-N -1 1 322.474 3.878 20 0 DHADMM Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC000295950733 1027497840 /nfs/dbraw/zinc/49/78/40/1027497840.db2.gz LVUBYANBGTYDKQ-UHFFFAOYSA-N -1 1 322.817 3.722 20 0 DHADMM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)c1 ZINC000031665844 1027605878 /nfs/dbraw/zinc/60/58/78/1027605878.db2.gz QDJUYTBCEMABEL-UHFFFAOYSA-N -1 1 323.801 3.652 20 0 DHADMM Cc1cc(C(=O)OC(C)C)cnc1-c1cc(Cl)ccc1[O-] ZINC001245049615 1027664523 /nfs/dbraw/zinc/66/45/23/1027664523.db2.gz ZMVKXFFXFMJGIV-UHFFFAOYSA-N -1 1 305.761 3.981 20 0 DHADMM C[N@@H+](CCCOc1ccc(Cl)cc1)Cc1ccoc1C(=O)[O-] ZINC000577404742 1027762917 /nfs/dbraw/zinc/76/29/17/1027762917.db2.gz QCTAGHTZUJEHSO-UHFFFAOYSA-N -1 1 323.776 3.532 20 0 DHADMM CCc1nc(SCCCOc2ccc(F)cc2)[n-]c(=O)c1C ZINC000577888204 1027978584 /nfs/dbraw/zinc/97/85/84/1027978584.db2.gz KKIJBRPDAZXOQV-UHFFFAOYSA-N -1 1 322.405 3.753 20 0 DHADMM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000528166377 1028149974 /nfs/dbraw/zinc/14/99/74/1028149974.db2.gz DTOCQPVBYXCBMA-NMSKTSORSA-N -1 1 308.765 3.623 20 0 DHADMM C[C@@H]1[C@@H](NC(=O)c2c(F)ccc([O-])c2F)C[C@@H]1c1ccccc1 ZINC000368051716 1028286442 /nfs/dbraw/zinc/28/64/42/1028286442.db2.gz PJXUZEVXQMTOJG-JKOKRWQUSA-N -1 1 317.335 3.592 20 0 DHADMM Cc1ccc([C@H]2CCN(C(=O)c3c(F)ccc([O-])c3F)C2)cc1 ZINC000368134239 1028310681 /nfs/dbraw/zinc/31/06/81/1028310681.db2.gz LLZGYRJJOIHJFS-ZDUSSCGKSA-N -1 1 317.335 3.609 20 0 DHADMM O=C1OCCN1c1ccc(NCc2cccc([O-])c2Cl)cc1 ZINC000815118295 1028367023 /nfs/dbraw/zinc/36/70/23/1028367023.db2.gz MQRKMWMZKOOBEZ-UHFFFAOYSA-N -1 1 318.760 3.614 20 0 DHADMM COc1ccccc1[C@@H](C)CC(=O)Nc1nc(Cl)ccc1[O-] ZINC000188343464 1028507650 /nfs/dbraw/zinc/50/76/50/1028507650.db2.gz UBAOBIUBECWYGT-JTQLQIEISA-N -1 1 320.776 3.582 20 0 DHADMM CC(C)c1cc([N-]C(=O)c2cc(-c3ccc(F)cc3)no2)no1 ZINC001135190217 1028611704 /nfs/dbraw/zinc/61/17/04/1028611704.db2.gz FJSPAYXHUMMNIT-UHFFFAOYSA-N -1 1 315.304 3.844 20 0 DHADMM COc1cc(Cl)cc(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000815852165 1028641487 /nfs/dbraw/zinc/64/14/87/1028641487.db2.gz JQSWZQZYUQNZTB-UHFFFAOYSA-N -1 1 312.152 3.960 20 0 DHADMM Cc1ccccc1CN(C)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001135429636 1028756153 /nfs/dbraw/zinc/75/61/53/1028756153.db2.gz BXCPBZLAKNFEIL-UHFFFAOYSA-N -1 1 303.789 3.555 20 0 DHADMM C[C@@H]1CC2(CCC2)CN1C(=O)c1ccc(Br)cc1[O-] ZINC000372914006 1028919045 /nfs/dbraw/zinc/91/90/45/1028919045.db2.gz VMWWREISJCBIDH-SNVBAGLBSA-N -1 1 324.218 3.559 20 0 DHADMM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)[N-]Oc1ccccc1 ZINC000816684484 1028988188 /nfs/dbraw/zinc/98/81/88/1028988188.db2.gz CXLDZRLCZVOHGO-GFCCVEGCSA-N -1 1 323.314 3.994 20 0 DHADMM O=C(N[C@H](c1ccccc1)C(F)F)c1c([O-])cccc1Cl ZINC000817223448 1029090386 /nfs/dbraw/zinc/09/03/86/1029090386.db2.gz SIOIJPVEQVJWRO-CYBMUJFWSA-N -1 1 311.715 3.782 20 0 DHADMM CC(C)C[C@@H](C(=O)[N-]OCCC(F)(F)F)c1ccccc1 ZINC000779326237 1029097205 /nfs/dbraw/zinc/09/72/05/1029097205.db2.gz JLBPHNZVMQHFDV-CYBMUJFWSA-N -1 1 303.324 3.817 20 0 DHADMM COc1ccc(NCc2c([O-])ccc(Cl)c2F)c(OC)c1 ZINC000190806440 1029162096 /nfs/dbraw/zinc/16/20/96/1029162096.db2.gz ISOKAUVIINPZIN-UHFFFAOYSA-N -1 1 311.740 3.814 20 0 DHADMM Cc1cc([C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])no1 ZINC000373942111 1029172528 /nfs/dbraw/zinc/17/25/28/1029172528.db2.gz ZBCSPLPVTZKVAU-KRWDZBQOSA-N -1 1 322.364 3.819 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000569145159 1029182999 /nfs/dbraw/zinc/18/29/99/1029182999.db2.gz GQRNRQXBAATTGA-VXGBXAGGSA-N -1 1 305.736 3.927 20 0 DHADMM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2cccc(F)c2[O-])o1 ZINC000628960552 1029196074 /nfs/dbraw/zinc/19/60/74/1029196074.db2.gz IEJJVFDDHKPPPD-PWSUYJOCSA-N -1 1 303.333 3.819 20 0 DHADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC001136018593 1029259442 /nfs/dbraw/zinc/25/94/42/1029259442.db2.gz AQLPWFJXZBVVFK-IJEWVQPXSA-N -1 1 315.413 3.602 20 0 DHADMM O=C1[N-]C(=S)SC1=Cc1csc(-c2ccccn2)n1 ZINC000044013027 1029305246 /nfs/dbraw/zinc/30/52/46/1029305246.db2.gz XNOLEKWHRWQTLN-UITAMQMPSA-N -1 1 305.409 3.534 20 0 DHADMM C[C@@H]1C[C@H](C)[C@H](C(=O)Nc2cc(Cl)c([O-])c3ccccc23)O1 ZINC000529540347 1029381275 /nfs/dbraw/zinc/38/12/75/1029381275.db2.gz YPEZYCOJUJUKRW-YNHOBRIKSA-N -1 1 319.788 3.951 20 0 DHADMM Cc1ccc([C@@H](C)N(C)C(=O)c2cccc([O-])c2F)c(C)c1 ZINC001136186221 1029467967 /nfs/dbraw/zinc/46/79/67/1029467967.db2.gz GCSBUQUASRNTBF-CYBMUJFWSA-N -1 1 301.361 3.981 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2cccc(-n3cccn3)c2)c([O-])c1 ZINC001136240241 1029590139 /nfs/dbraw/zinc/59/01/39/1029590139.db2.gz DFDBBHYEZMIVDW-UHFFFAOYSA-N -1 1 321.380 3.954 20 0 DHADMM CC(C)(C)CCC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000450694884 1029615322 /nfs/dbraw/zinc/61/53/22/1029615322.db2.gz IEYHYNRSOYHSRD-UHFFFAOYSA-N -1 1 322.796 3.596 20 0 DHADMM CC(C)(C)CCC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000450694884 1029615328 /nfs/dbraw/zinc/61/53/28/1029615328.db2.gz IEYHYNRSOYHSRD-UHFFFAOYSA-N -1 1 322.796 3.596 20 0 DHADMM CC(C)OCc1ccc(NC(=O)c2cccc([O-])c2F)cc1 ZINC001136375374 1029764757 /nfs/dbraw/zinc/76/47/57/1029764757.db2.gz NAUHASZCPGEPJI-UHFFFAOYSA-N -1 1 303.333 3.709 20 0 DHADMM CC(C)([N-]S(=O)(=O)c1csc2ccccc21)C(F)(F)F ZINC000451028625 1029773094 /nfs/dbraw/zinc/77/30/94/1029773094.db2.gz DGDKPKPIMMDNPP-UHFFFAOYSA-N -1 1 323.361 3.521 20 0 DHADMM O=C(C[C@H]1CC=CCC1)Nc1cccc([O-])c1Br ZINC000821374079 1029829072 /nfs/dbraw/zinc/82/90/72/1029829072.db2.gz BAPBYHBMFSAIJF-JTQLQIEISA-N -1 1 310.191 3.840 20 0 DHADMM CC(C)Oc1ccc(NC(=O)c2ccc(F)c([O-])c2)c(F)c1 ZINC001136467834 1029854454 /nfs/dbraw/zinc/85/44/54/1029854454.db2.gz PUTYEYVOVGTOEY-UHFFFAOYSA-N -1 1 307.296 3.710 20 0 DHADMM COCC[C@H](Sc1nc(C)c(C)c(=O)[n-]1)c1ccccc1 ZINC000413001380 1029906818 /nfs/dbraw/zinc/90/68/18/1029906818.db2.gz PKHSQCUEISVRQE-AWEZNQCLSA-N -1 1 304.415 3.669 20 0 DHADMM CCc1ccc(C(=O)Nc2nc(-c3ccco3)cs2)c([O-])c1 ZINC001136667546 1030202889 /nfs/dbraw/zinc/20/28/89/1030202889.db2.gz ILJUAFRHCOIMLI-UHFFFAOYSA-N -1 1 314.366 3.923 20 0 DHADMM CCOc1cc(C(=O)N(C)[C@@H](C)C2CCC2)cc(Cl)c1[O-] ZINC000358002309 1030274635 /nfs/dbraw/zinc/27/46/35/1030274635.db2.gz LBDDDQSBDDORKC-JTQLQIEISA-N -1 1 311.809 3.705 20 0 DHADMM Cc1cccnc1[C@@H](NC(=O)c1ccc(Cl)cc1[O-])C(C)C ZINC001136824510 1030474347 /nfs/dbraw/zinc/47/43/47/1030474347.db2.gz UHZYGCXIWFWIQC-HNNXBMFYSA-N -1 1 318.804 3.876 20 0 DHADMM Cc1ccc(CN(C(=O)c2ncc(C)cc2[O-])C(C)C)s1 ZINC000358603747 1030555047 /nfs/dbraw/zinc/55/50/47/1030555047.db2.gz WRTOKKLOGMLRLA-UHFFFAOYSA-N -1 1 304.415 3.516 20 0 DHADMM CC[C@@H](C(=O)Nc1n[n-]c(C(F)(F)F)n1)C1CCC(C)CC1 ZINC000359285398 1030885073 /nfs/dbraw/zinc/88/50/73/1030885073.db2.gz VUCDHENXQSIFKM-UDNWOFFPSA-N -1 1 318.343 3.615 20 0 DHADMM CON(C(=O)c1ccc(F)c([O-])c1)[C@@H](C)c1ccccc1C ZINC001160410234 1030928998 /nfs/dbraw/zinc/92/89/98/1030928998.db2.gz HAQCAJUYKVIKRZ-LBPRGKRZSA-N -1 1 303.333 3.605 20 0 DHADMM O=C([O-])c1ccc(CNC2(c3ccc(F)cc3F)CCC2)cc1 ZINC000263393295 1031188365 /nfs/dbraw/zinc/18/83/65/1031188365.db2.gz FUTXDRMGCSFUFB-UHFFFAOYSA-N -1 1 317.335 3.832 20 0 DHADMM O=C([O-])[C@H]1CCCCN1Cc1ccc(-c2ccccc2F)o1 ZINC000263390576 1031189049 /nfs/dbraw/zinc/18/90/49/1031189049.db2.gz FDFSVTILUGCEGV-OAHLLOKOSA-N -1 1 303.333 3.525 20 0 DHADMM O=C([O-])[C@@H]1CCCCN1Cc1ccc(-c2ccc(F)cc2)o1 ZINC000263441700 1031195415 /nfs/dbraw/zinc/19/54/15/1031195415.db2.gz WRDKYSDAYWYWCA-HNNXBMFYSA-N -1 1 303.333 3.525 20 0 DHADMM CCCCN(C(=O)c1ncc2ccccc2c1[O-])[C@H](C)CC ZINC001144060167 1031203187 /nfs/dbraw/zinc/20/31/87/1031203187.db2.gz FCCUWMCFHSSAPK-CYBMUJFWSA-N -1 1 300.402 3.981 20 0 DHADMM COCc1ccc([C@H]2CCCN2Cc2cc(C(=O)[O-])cs2)o1 ZINC000872159197 1031541478 /nfs/dbraw/zinc/54/14/78/1031541478.db2.gz AMYODKZTOIBAAO-CQSZACIVSA-N -1 1 321.398 3.523 20 0 DHADMM Cc1ccc(CN2C[C@H](C)OC3(CCCCC3)C2)cc1C(=O)[O-] ZINC000872160476 1031541696 /nfs/dbraw/zinc/54/16/96/1031541696.db2.gz HKKHYKPQWOIFCN-HNNXBMFYSA-N -1 1 317.429 3.617 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCSC[C@@H]1c1cccs1 ZINC000360827463 1031578371 /nfs/dbraw/zinc/57/83/71/1031578371.db2.gz DLLWMSUKSUSWDE-GFCCVEGCSA-N -1 1 323.414 3.523 20 0 DHADMM Cc1ccc(C(=O)C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC000476127870 1031696603 /nfs/dbraw/zinc/69/66/03/1031696603.db2.gz AXFOAGVAGSDQCZ-UHFFFAOYSA-N -1 1 323.270 3.541 20 0 DHADMM O=S(=O)([N-]c1ccc2[nH]ccc2c1)c1ccc(C(F)F)cc1 ZINC000361132889 1031745387 /nfs/dbraw/zinc/74/53/87/1031745387.db2.gz SRGRICFIDMZDPI-UHFFFAOYSA-N -1 1 322.336 3.906 20 0 DHADMM Cc1cc2cc([N-]S(=O)(=O)c3cc(C)cc(F)c3)ccc2[nH]1 ZINC000476247002 1031781426 /nfs/dbraw/zinc/78/14/26/1031781426.db2.gz AXUKYMPIHLIOOL-UHFFFAOYSA-N -1 1 318.373 3.725 20 0 DHADMM CC(C)[C@H]1CCC[C@@H](NC(=O)c2ncc3ccccc3c2[O-])C1 ZINC001144746225 1031931097 /nfs/dbraw/zinc/93/10/97/1031931097.db2.gz WEPDDYVCEPXUOG-DZGCQCFKSA-N -1 1 312.413 3.885 20 0 DHADMM CCc1cc(C(=O)Nc2cc(F)cc(F)c2[O-])cc(Cl)n1 ZINC001142545908 1031996061 /nfs/dbraw/zinc/99/60/61/1031996061.db2.gz MEHSDYVDKGUAES-UHFFFAOYSA-N -1 1 312.703 3.534 20 0 DHADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1F ZINC000539399253 1033343996 /nfs/dbraw/zinc/34/39/96/1033343996.db2.gz KGDLGCYMMWMXBV-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM CC(C)(C)Oc1ccc(-c2noc(-c3ccncc3[O-])n2)cc1 ZINC001212722659 1033685803 /nfs/dbraw/zinc/68/58/03/1033685803.db2.gz SZGRPYJQCHLPBF-UHFFFAOYSA-N -1 1 311.341 3.682 20 0 DHADMM Cc1ccc(-c2noc(-c3ccncc3[O-])n2)c(C(F)(F)F)c1 ZINC001212722572 1033686214 /nfs/dbraw/zinc/68/62/14/1033686214.db2.gz OIOZTOAVABVELB-UHFFFAOYSA-N -1 1 321.258 3.831 20 0 DHADMM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1cc(Cl)ccc1[O-] ZINC001137134199 1033758634 /nfs/dbraw/zinc/75/86/34/1033758634.db2.gz DWYCOHGVMHXJGS-RYUDHWBXSA-N -1 1 303.789 3.968 20 0 DHADMM CCc1ccc([C@@H](C)C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)cc1 ZINC000479478100 1033773711 /nfs/dbraw/zinc/77/37/11/1033773711.db2.gz UTYXHCVXMLGDFG-GFCCVEGCSA-N -1 1 324.384 3.678 20 0 DHADMM C[C@@H]1CSCCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000889912616 1033774376 /nfs/dbraw/zinc/77/43/76/1033774376.db2.gz GUZMOAONGCVTGR-GFCCVEGCSA-N -1 1 301.411 3.513 20 0 DHADMM O=C(C[C@H]1CCCOC1)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000862295585 1033811850 /nfs/dbraw/zinc/81/18/50/1033811850.db2.gz NMIFQYSZTRWBLX-LLVKDONJSA-N -1 1 319.788 3.954 20 0 DHADMM Cc1c(Cl)cc(Nc2cccc(C(N)=O)c2)c([O-])c1Cl ZINC001174062061 1034066169 /nfs/dbraw/zinc/06/61/69/1034066169.db2.gz ZGXYNVKCNPLJSO-UHFFFAOYSA-N -1 1 311.168 3.850 20 0 DHADMM Cc1ccc(Nc2cc(S(C)(=O)=O)ccc2[O-])c(Cl)c1 ZINC001174046518 1034100718 /nfs/dbraw/zinc/10/07/18/1034100718.db2.gz YOTHGDFESGYPDO-UHFFFAOYSA-N -1 1 311.790 3.501 20 0 DHADMM CC(C)CNC(=O)c1ccc(Nc2c([O-])cc(F)cc2F)cc1 ZINC001174079113 1034135693 /nfs/dbraw/zinc/13/56/93/1034135693.db2.gz KTOXHSYDWYQYSM-UHFFFAOYSA-N -1 1 320.339 3.800 20 0 DHADMM CC(C)CNC(=O)c1ccc(Nc2ccnc(Cl)c2[O-])cc1 ZINC001174079666 1034135931 /nfs/dbraw/zinc/13/59/31/1034135931.db2.gz HJBPUVLNYGVUDZ-UHFFFAOYSA-N -1 1 319.792 3.570 20 0 DHADMM CCCCNC(=O)c1ccc(Nc2cc([O-])c(F)c(F)c2)cc1 ZINC001174123806 1034146431 /nfs/dbraw/zinc/14/64/31/1034146431.db2.gz QOGIIJBQVBFNFN-UHFFFAOYSA-N -1 1 320.339 3.944 20 0 DHADMM COc1cc(C(=O)Nc2cccc(C3CC3)n2)cc(Cl)c1[O-] ZINC000554504494 1034184207 /nfs/dbraw/zinc/18/42/07/1034184207.db2.gz SSAYQZGOOAUSEJ-UHFFFAOYSA-N -1 1 318.760 3.579 20 0 DHADMM O=C(c1cccc(Nc2cc([O-])c(F)c(F)c2)c1)N1CCCC1 ZINC001174171665 1034196209 /nfs/dbraw/zinc/19/62/09/1034196209.db2.gz WMHDGDPKDXEZCZ-UHFFFAOYSA-N -1 1 318.323 3.650 20 0 DHADMM [O-]c1c(Br)c(F)ccc1Nc1ccc2n[nH]cc2c1 ZINC001174272827 1034267346 /nfs/dbraw/zinc/26/73/46/1034267346.db2.gz JRNDEXNJFBEVHG-UHFFFAOYSA-N -1 1 322.137 3.914 20 0 DHADMM CCN(C)C(=O)c1ccc(Nc2c([O-])cc(F)cc2F)cc1 ZINC001174319673 1034283933 /nfs/dbraw/zinc/28/39/33/1034283933.db2.gz VMLTXJYWBLPXHO-UHFFFAOYSA-N -1 1 306.312 3.506 20 0 DHADMM CCN(C)C(=O)c1ccc(Nc2cc([O-])c(F)c(F)c2)cc1 ZINC001174321799 1034285746 /nfs/dbraw/zinc/28/57/46/1034285746.db2.gz ALTOIUIQRHNHAC-UHFFFAOYSA-N -1 1 306.312 3.506 20 0 DHADMM CC(C)c1ncc(CNCc2cccc(CCC(=O)[O-])c2)s1 ZINC000864518531 1034371799 /nfs/dbraw/zinc/37/17/99/1034371799.db2.gz MIYHRTNHCKGMBW-UHFFFAOYSA-N -1 1 318.442 3.574 20 0 DHADMM CNc1ncc2cc(Nc3cc([O-])c(Cl)cc3F)ccc2n1 ZINC001174531736 1034448789 /nfs/dbraw/zinc/44/87/89/1034448789.db2.gz CNGAWUBRMFWFAT-UHFFFAOYSA-N -1 1 318.739 3.913 20 0 DHADMM CCCCCCC(=O)CSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000865373287 1034614134 /nfs/dbraw/zinc/61/41/34/1034614134.db2.gz NEISBOLHBDXHRA-UHFFFAOYSA-N -1 1 308.447 4.000 20 0 DHADMM C[C@@]1(CNC(=O)c2c([O-])cccc2Cl)CCOC2(CCC2)C1 ZINC000899489334 1034705888 /nfs/dbraw/zinc/70/58/88/1034705888.db2.gz VRAYEHSIBWZIOO-MRXNPFEDSA-N -1 1 323.820 3.515 20 0 DHADMM [O-]c1c(Br)c(F)ccc1Nc1cccc(CO)c1 ZINC001175518228 1035024188 /nfs/dbraw/zinc/02/41/88/1035024188.db2.gz HOMMXVLQKMVCHA-UHFFFAOYSA-N -1 1 312.138 3.530 20 0 DHADMM CC(C)[C@H]1N(C(=O)c2ncc3ccccc3c2[O-])CC12CCC2 ZINC000615166881 1035094934 /nfs/dbraw/zinc/09/49/34/1035094934.db2.gz FJGCLSYDDYVABF-QGZVFWFLSA-N -1 1 310.397 3.591 20 0 DHADMM O=c1ccn(-c2ccc(Nc3cnn(-c4ccccc4)c3)cc2)[n-]1 ZINC001175796807 1035108017 /nfs/dbraw/zinc/10/80/17/1035108017.db2.gz ILMPNOBFHQJSTO-UHFFFAOYSA-N -1 1 317.352 3.507 20 0 DHADMM Cn1cc(Nc2ccnc(Cl)c2[O-])c(-c2ccccc2)n1 ZINC001176567675 1035296866 /nfs/dbraw/zinc/29/68/66/1035296866.db2.gz GLNDZLIKRBMUDA-UHFFFAOYSA-N -1 1 300.749 3.585 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cncc(OC(F)(F)F)c2)c1F ZINC001176669160 1035309855 /nfs/dbraw/zinc/30/98/55/1035309855.db2.gz FGRCIBZHQKNPGS-UHFFFAOYSA-N -1 1 324.180 3.847 20 0 DHADMM Cc1ccc(CCCO)c(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176670186 1035310113 /nfs/dbraw/zinc/31/01/13/1035310113.db2.gz AXOWVPZAGZQFGO-UHFFFAOYSA-N -1 1 311.303 3.786 20 0 DHADMM COC(=O)c1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1C ZINC001176670565 1035310383 /nfs/dbraw/zinc/31/03/83/1035310383.db2.gz YZRHCRADWQJKCE-UHFFFAOYSA-N -1 1 311.259 3.648 20 0 DHADMM COc1cc(OC)c(Nc2c(F)cc(F)c([O-])c2F)cc1F ZINC001176672009 1035310403 /nfs/dbraw/zinc/31/04/03/1035310403.db2.gz RFNXZBUBFFEDRL-UHFFFAOYSA-N -1 1 317.238 3.709 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cccc(Cn3ccnc3)c2)c1F ZINC001176671338 1035310737 /nfs/dbraw/zinc/31/07/37/1035310737.db2.gz AILVBCLZXVWIDF-UHFFFAOYSA-N -1 1 319.286 3.798 20 0 DHADMM Nc1cc(Cl)cc(F)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176670795 1035310871 /nfs/dbraw/zinc/31/08/71/1035310871.db2.gz LAPCRZCTJWNERV-UHFFFAOYSA-N -1 1 306.646 3.928 20 0 DHADMM Cc1cc(=O)oc2cc(Nc3c(F)cc(F)c([O-])c3F)ccc12 ZINC001176672526 1035311667 /nfs/dbraw/zinc/31/16/67/1035311667.db2.gz ZLKQLHGHBGAMSY-UHFFFAOYSA-N -1 1 321.254 3.968 20 0 DHADMM COC(=O)/C=C/c1cccc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176672588 1035311958 /nfs/dbraw/zinc/31/19/58/1035311958.db2.gz NWPCGOQPHRAXBG-AATRIKPKSA-N -1 1 323.270 3.739 20 0 DHADMM Cc1cnc(Cl)c(CN[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c1 ZINC000904002648 1035337130 /nfs/dbraw/zinc/33/71/30/1035337130.db2.gz AMDFDAQSOXBTIT-OAHLLOKOSA-N -1 1 318.804 3.576 20 0 DHADMM CC[C@H](C(=O)NCc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC001176988861 1035340462 /nfs/dbraw/zinc/34/04/62/1035340462.db2.gz SOJLKYFESIKPAV-AWEZNQCLSA-N -1 1 303.789 3.856 20 0 DHADMM Cc1ccccc1C1(C(=O)NCc2ccc([O-])c(Cl)c2)CC1 ZINC001176988019 1035341203 /nfs/dbraw/zinc/34/12/03/1035341203.db2.gz HDOVQFBYJJQSAD-UHFFFAOYSA-N -1 1 315.800 3.702 20 0 DHADMM C[C@H](CC(=O)NCc1ccc([O-])c(Cl)c1)c1cccc(F)c1 ZINC001176988384 1035341241 /nfs/dbraw/zinc/34/12/41/1035341241.db2.gz MCHNFKARUSPZRQ-LLVKDONJSA-N -1 1 321.779 3.995 20 0 DHADMM Cc1ccc(CN[C@H](CC(=O)[O-])c2ccccc2F)cc1C ZINC000904045709 1035351651 /nfs/dbraw/zinc/35/16/51/1035351651.db2.gz MZLKIDSCUSYVBV-QGZVFWFLSA-N -1 1 301.361 3.748 20 0 DHADMM C[C@@H]1CCC[C@@]1(C)C(=O)Nc1ccc(Br)c([O-])c1 ZINC001325204035 1035375757 /nfs/dbraw/zinc/37/57/57/1035375757.db2.gz OEQKVFDMANDHQR-YMTOWFKASA-N -1 1 312.207 3.920 20 0 DHADMM C[C@H](N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2)C(=O)[O-] ZINC000904204129 1035385438 /nfs/dbraw/zinc/38/54/38/1035385438.db2.gz SWDLAKNJFNWPAC-YVEFUNNKSA-N -1 1 315.438 3.779 20 0 DHADMM CSc1ccc([O-])c(-c2nc(Cc3cccs3)no2)c1 ZINC000904339687 1035401528 /nfs/dbraw/zinc/40/15/28/1035401528.db2.gz FQDOUMYKLNUFRX-UHFFFAOYSA-N -1 1 304.396 3.816 20 0 DHADMM C[C@]1(CNC(=O)c2ccc(Cl)cc2[O-])CCOC2(CCC2)C1 ZINC001178157927 1035411509 /nfs/dbraw/zinc/41/15/09/1035411509.db2.gz MXPPPNHJTJKFLC-INIZCTEOSA-N -1 1 323.820 3.515 20 0 DHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])c1ccnc(C2CC2)c1 ZINC001193015600 1035538962 /nfs/dbraw/zinc/53/89/62/1035538962.db2.gz HCWQERBWWUSTOU-UHFFFAOYSA-N -1 1 322.286 3.936 20 0 DHADMM Cc1ccc2c(cccc2[N-]S(=O)(=O)c2ccccc2N)c1 ZINC001193938107 1035765978 /nfs/dbraw/zinc/76/59/78/1035765978.db2.gz PIWGNRIAEWAJQC-UHFFFAOYSA-N -1 1 312.394 3.531 20 0 DHADMM [O-]c1ccc(CN2CC(Cc3ccccc3Cl)C2)c(F)c1F ZINC001181544642 1035934245 /nfs/dbraw/zinc/93/42/45/1035934245.db2.gz ULBVFQGEAVTPJO-UHFFFAOYSA-N -1 1 323.770 3.998 20 0 DHADMM O=C(Nc1ccc2cc(F)ccc2c1)c1c[n-]c(C(F)(F)F)n1 ZINC001194783903 1036020492 /nfs/dbraw/zinc/02/04/92/1036020492.db2.gz XMQPJRZCQVGZOH-UHFFFAOYSA-N -1 1 323.249 3.973 20 0 DHADMM [O-]c1ccc(CN2CCn3c(cc4ccccc43)C2)c(F)c1F ZINC001182086960 1036087222 /nfs/dbraw/zinc/08/72/22/1036087222.db2.gz NPCPBYDCPKEMEI-UHFFFAOYSA-N -1 1 314.335 3.641 20 0 DHADMM C[Si](C)(C)CCS(=O)(=O)[N-]c1c(O)ccc2ccccc21 ZINC001195072391 1036125910 /nfs/dbraw/zinc/12/59/10/1036125910.db2.gz NNWHNFIFBQFYAI-UHFFFAOYSA-N -1 1 323.490 3.625 20 0 DHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc([C@H](C)O)c2)c1 ZINC001195108946 1036137038 /nfs/dbraw/zinc/13/70/38/1036137038.db2.gz UYHWTBGFXHMIJU-ZDUSSCGKSA-N -1 1 319.426 3.664 20 0 DHADMM O=C(Nc1cc(Cl)cc2[nH]ccc21)c1cc([O-])cnc1Cl ZINC001195305181 1036215205 /nfs/dbraw/zinc/21/52/05/1036215205.db2.gz BGRKILXWKOEFPM-UHFFFAOYSA-N -1 1 322.151 3.828 20 0 DHADMM Cc1ccc([O-])c(C(=O)Nc2ccc(-c3cccc(O)c3)cc2)n1 ZINC001195329672 1036219699 /nfs/dbraw/zinc/21/96/99/1036219699.db2.gz GMAKVTUPFIXZSI-UHFFFAOYSA-N -1 1 320.348 3.721 20 0 DHADMM FC(F)(F)[C@H]([N-]c1nc(Cl)cc(Cl)n1)c1ccccn1 ZINC001168477880 1036267752 /nfs/dbraw/zinc/26/77/52/1036267752.db2.gz JUXZWZSGUDPKTI-SECBINFHSA-N -1 1 323.105 3.894 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1c(F)cc(Cl)cc1Cl ZINC001195492613 1036268020 /nfs/dbraw/zinc/26/80/20/1036268020.db2.gz MKERZRKPLUCGKG-UHFFFAOYSA-N -1 1 311.165 3.575 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1ccc(-c2ccc(O)cc2)cc1 ZINC001195484777 1036268608 /nfs/dbraw/zinc/26/86/08/1036268608.db2.gz QSRWTIWTPCRPAQ-UHFFFAOYSA-N -1 1 316.382 3.502 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1cccc(-c2ccc(F)cc2)c1 ZINC001195484765 1036269886 /nfs/dbraw/zinc/26/98/86/1036269886.db2.gz QHWMAEJKQXVIIV-UHFFFAOYSA-N -1 1 318.373 3.936 20 0 DHADMM Cc1cc(C)c2c(c1)N(Cc1ccc([O-])c(F)c1F)CCO2 ZINC001182693912 1036425585 /nfs/dbraw/zinc/42/55/85/1036425585.db2.gz LIUVQPFPUMBETJ-UHFFFAOYSA-N -1 1 305.324 3.686 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)[C@@H]1CCC(F)(F)C1 ZINC000908708564 1036486885 /nfs/dbraw/zinc/48/68/85/1036486885.db2.gz ZACKBIZHDQXJDT-SSDOTTSWSA-N -1 1 320.133 3.529 20 0 DHADMM CC1(C)CC[C@@H](C(=O)Nc2cccc([O-])c2Br)C1 ZINC000908708748 1036487248 /nfs/dbraw/zinc/48/72/48/1036487248.db2.gz CPWZUYJDKANCRL-SECBINFHSA-N -1 1 312.207 3.920 20 0 DHADMM C[C@@H](C(=O)Nc1cccc([O-])c1Br)C1CCCC1 ZINC000908712684 1036489021 /nfs/dbraw/zinc/48/90/21/1036489021.db2.gz IYDSLPGUMDOXHP-SECBINFHSA-N -1 1 312.207 3.920 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)C12CCC(CC1)C2 ZINC000908710902 1036489339 /nfs/dbraw/zinc/48/93/39/1036489339.db2.gz WNHULKQBXQSCLM-UHFFFAOYSA-N -1 1 310.191 3.674 20 0 DHADMM CCC(CC)CC(=O)Nc1cccc([O-])c1Br ZINC000908710067 1036489963 /nfs/dbraw/zinc/48/99/63/1036489963.db2.gz VKSWOVVICHYSFK-UHFFFAOYSA-N -1 1 300.196 3.920 20 0 DHADMM CCC[C@H](C)CC(=O)Nc1cccc([O-])c1Br ZINC000908716315 1036492566 /nfs/dbraw/zinc/49/25/66/1036492566.db2.gz JLXLFYYKMINREI-VIFPVBQESA-N -1 1 300.196 3.920 20 0 DHADMM CCC[C@H](CC)C(=O)Nc1cccc([O-])c1Br ZINC000908716835 1036493693 /nfs/dbraw/zinc/49/36/93/1036493693.db2.gz BHGWMOKBXUAMKW-VIFPVBQESA-N -1 1 300.196 3.920 20 0 DHADMM CCCCOc1ccc(C(=O)Nc2ccc(O)c(C)c2)c([O-])c1 ZINC001183041304 1036506642 /nfs/dbraw/zinc/50/66/42/1036506642.db2.gz ZKHBSCCMTSOJID-UHFFFAOYSA-N -1 1 315.369 3.837 20 0 DHADMM CC(=O)c1ccc(NC(=S)Nc2c(F)cc([O-])cc2F)cc1 ZINC001196562950 1036559869 /nfs/dbraw/zinc/55/98/69/1036559869.db2.gz BEIUCMQIRRURIO-UHFFFAOYSA-N -1 1 322.336 3.682 20 0 DHADMM O=C(Nc1c[n-][nH]c1=O)c1csc(-c2ccc(Cl)cc2)c1 ZINC001183562156 1036620862 /nfs/dbraw/zinc/62/08/62/1036620862.db2.gz HOUNZXNISPUHPH-UHFFFAOYSA-N -1 1 319.773 3.750 20 0 DHADMM CCS[C@@H]1CC[C@H](N(C)C(=O)c2c([O-])cccc2Cl)C1 ZINC000762568819 1036844886 /nfs/dbraw/zinc/84/48/86/1036844886.db2.gz JSMWKQRUEDLUNN-WDEREUQCSA-N -1 1 313.850 3.792 20 0 DHADMM O=C1[N-]C(=S)SC1=Cc1csc(Br)c1 ZINC000045110470 1036942977 /nfs/dbraw/zinc/94/29/77/1036942977.db2.gz OXPOEOZTVDDCFM-KTAJNNJTSA-N -1 1 306.231 3.840 20 0 DHADMM O=C(/C=C/c1nc2ccccc2s1)Nc1c([O-])cccc1F ZINC000089541279 1036921438 /nfs/dbraw/zinc/92/14/38/1036921438.db2.gz GHIYLZKZVMOOIJ-CMDGGOBGSA-N -1 1 314.341 3.793 20 0 DHADMM CC[C@H](C)N(CC(=O)[O-])Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000236964476 1036988626 /nfs/dbraw/zinc/98/86/26/1036988626.db2.gz RIUVKPOGCCCMGA-NSHDSACASA-N -1 1 322.792 3.680 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)c(C)c2)cn1 ZINC001198313950 1036994536 /nfs/dbraw/zinc/99/45/36/1036994536.db2.gz HUGPQUKXBIPUDZ-UHFFFAOYSA-N -1 1 304.415 3.623 20 0 DHADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1CCCc2sccc21 ZINC000910983148 1037020703 /nfs/dbraw/zinc/02/07/03/1037020703.db2.gz VCQXEXJJXRVUSO-SNVBAGLBSA-N -1 1 309.337 3.791 20 0 DHADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000910990581 1037021435 /nfs/dbraw/zinc/02/14/35/1037021435.db2.gz ZPLVNHWTWNJVFL-NKWVEPMBSA-N -1 1 309.234 3.588 20 0 DHADMM Cc1cccc(NC(=S)Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001198697228 1037099174 /nfs/dbraw/zinc/09/91/74/1037099174.db2.gz LYFJXXKHGKVPRL-UHFFFAOYSA-N -1 1 324.409 3.695 20 0 DHADMM Cc1noc(C2CC2)c1[N-]C(=O)c1csc(-c2ccco2)n1 ZINC000154090988 1037101537 /nfs/dbraw/zinc/10/15/37/1037101537.db2.gz YWTPYDHOZLOXJD-UHFFFAOYSA-N -1 1 315.354 3.829 20 0 DHADMM CN(C)c1ccc(NC(=S)Nc2c(F)cc([O-])cc2F)cc1 ZINC001198769528 1037128584 /nfs/dbraw/zinc/12/85/84/1037128584.db2.gz DIULKYYBZAEOPE-UHFFFAOYSA-N -1 1 323.368 3.545 20 0 DHADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198816058 1037137980 /nfs/dbraw/zinc/13/79/80/1037137980.db2.gz CHWGNPZVFJCRQI-UHFFFAOYSA-N -1 1 305.330 3.681 20 0 DHADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc2occc2c1 ZINC001198816140 1037139413 /nfs/dbraw/zinc/13/94/13/1037139413.db2.gz DZWKQLQJAYLRCI-UHFFFAOYSA-N -1 1 309.293 3.512 20 0 DHADMM O=S(=O)([N-]c1cc(O)cc(Cl)c1)c1ccc2occc2c1 ZINC001198858864 1037148757 /nfs/dbraw/zinc/14/87/57/1037148757.db2.gz JVQKHQKUZUAEEY-UHFFFAOYSA-N -1 1 323.757 3.593 20 0 DHADMM O=C(NCc1ccc(F)cc1)Nc1cc([O-])c(Cl)cc1F ZINC001185471444 1037151466 /nfs/dbraw/zinc/15/14/66/1037151466.db2.gz AFAKRGLKVJDGLB-UHFFFAOYSA-N -1 1 312.703 3.646 20 0 DHADMM Nc1ccc2c(Cl)nn(-c3c(F)ccc([O-])c3Cl)c2c1 ZINC001250232470 1037332030 /nfs/dbraw/zinc/33/20/30/1037332030.db2.gz MYNDJHCTCGMWIM-UHFFFAOYSA-N -1 1 312.131 3.759 20 0 DHADMM Cc1ccc2[nH]cc(CN(C)C(=O)c3ccc([O-])c(F)c3)c2c1 ZINC001186218563 1037346463 /nfs/dbraw/zinc/34/64/63/1037346463.db2.gz HDJFVMVFGSKFJT-UHFFFAOYSA-N -1 1 312.344 3.593 20 0 DHADMM O=C(Nc1cnc2cc(Cl)ccc2c1)c1ccc([O-])cc1F ZINC001186318314 1037356562 /nfs/dbraw/zinc/35/65/62/1037356562.db2.gz HMKIJPDRSJCYOT-UHFFFAOYSA-N -1 1 316.719 3.985 20 0 DHADMM Cc1ccc2[nH]cc(CN(C)C(=O)c3ccc([O-])cc3F)c2c1 ZINC001186327119 1037359174 /nfs/dbraw/zinc/35/91/74/1037359174.db2.gz MSASCDZADCSNGS-UHFFFAOYSA-N -1 1 312.344 3.593 20 0 DHADMM [O-]c1cnc(Cl)cc1NC(=S)Nc1ccc(F)cc1F ZINC001200923243 1037467515 /nfs/dbraw/zinc/46/75/15/1037467515.db2.gz RXVKQTPACXJMPL-UHFFFAOYSA-N -1 1 315.732 3.528 20 0 DHADMM [O-]c1cc(F)c(F)cc1NC(=S)Nc1ccc(F)cc1F ZINC001200933098 1037470350 /nfs/dbraw/zinc/47/03/50/1037470350.db2.gz RYTHMMNCFDLKFP-UHFFFAOYSA-N -1 1 316.279 3.758 20 0 DHADMM O=C(NCC1CCCCC1)Nc1cc([O-])c(Cl)cc1F ZINC001186875011 1037509807 /nfs/dbraw/zinc/50/98/07/1037509807.db2.gz CGCDETWMJOURML-UHFFFAOYSA-N -1 1 300.761 3.887 20 0 DHADMM Cc1cc(NC(=S)Nc2cc(F)c(F)cc2[O-])ccc1F ZINC001201037496 1037518046 /nfs/dbraw/zinc/51/80/46/1037518046.db2.gz GHZJUOUWCBFYFK-UHFFFAOYSA-N -1 1 312.316 3.927 20 0 DHADMM O=S(=O)([N-]c1ccccc1F)c1cc2c(s1)CCCC2 ZINC001187174038 1037596243 /nfs/dbraw/zinc/59/62/43/1037596243.db2.gz NYVYFAUACNKBAV-UHFFFAOYSA-N -1 1 311.403 3.567 20 0 DHADMM CCCC[C@@H](CCC)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC001187744634 1037716651 /nfs/dbraw/zinc/71/66/51/1037716651.db2.gz IFZVYKPYXOTWPV-SNVBAGLBSA-N -1 1 323.380 3.741 20 0 DHADMM O=C(Nc1ccc2c(c1)OCO2)Nc1cc([O-])c(Cl)cc1F ZINC001187862533 1037739352 /nfs/dbraw/zinc/73/93/52/1037739352.db2.gz METXQXXQSKZHAF-UHFFFAOYSA-N -1 1 324.695 3.557 20 0 DHADMM Cc1cc2c(cc1C)[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)CO2 ZINC000184820329 1037760242 /nfs/dbraw/zinc/76/02/42/1037760242.db2.gz YDZDJXWOMRQSNL-ZDUSSCGKSA-N -1 1 317.772 3.777 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c(F)c1 ZINC000185167619 1037780939 /nfs/dbraw/zinc/78/09/39/1037780939.db2.gz ORKWPQFXFWLEOT-UHFFFAOYSA-N -1 1 322.336 3.555 20 0 DHADMM O=C(OCc1ccccc1Cl)c1cc(-c2ccco2)n[nH]1 ZINC000913299486 1037790594 /nfs/dbraw/zinc/79/05/94/1037790594.db2.gz LUOPDDOCJOXTSQ-UHFFFAOYSA-N -1 1 302.717 3.680 20 0 DHADMM O=C1CCCN1c1cccc(NCc2cccc([O-])c2Cl)c1 ZINC000328384013 1037813149 /nfs/dbraw/zinc/81/31/49/1037813149.db2.gz SKDQZLZFWIPNML-UHFFFAOYSA-N -1 1 316.788 3.785 20 0 DHADMM CCCc1cc(=O)[n-]c(SCc2ccc(C)c(Cl)n2)n1 ZINC001188162185 1037827291 /nfs/dbraw/zinc/82/72/91/1037827291.db2.gz HENHPEZPDNXOQU-UHFFFAOYSA-N -1 1 309.822 3.784 20 0 DHADMM CCCc1cc(=O)[n-]c(SC[C@@H](OC)c2ccc(F)cc2)n1 ZINC001188162699 1037833372 /nfs/dbraw/zinc/83/33/72/1037833372.db2.gz KVSICPRXLYVCKX-CQSZACIVSA-N -1 1 322.405 3.754 20 0 DHADMM Cc1nc(CN(C)C(=O)c2ccc3ccccc3c2[O-])cs1 ZINC000124856702 1037914906 /nfs/dbraw/zinc/91/49/06/1037914906.db2.gz HSAIDIAQKPEESP-UHFFFAOYSA-N -1 1 312.394 3.583 20 0 DHADMM O=C(Nc1ccc(F)cc1F)Nc1ccc([O-])c(F)c1F ZINC001202021802 1037969892 /nfs/dbraw/zinc/96/98/92/1037969892.db2.gz GXNMLHWZAPDPFP-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2C(C)C)c1 ZINC000188902381 1038006194 /nfs/dbraw/zinc/00/61/94/1038006194.db2.gz SJVZQGZJKJJTPD-UHFFFAOYSA-N -1 1 317.410 3.813 20 0 DHADMM COc1ccc([C@H](C)CSc2nc(C)c(C)c(=O)[n-]2)cc1 ZINC001189061189 1038061098 /nfs/dbraw/zinc/06/10/98/1038061098.db2.gz KOLVUVNSFQCESJ-SNVBAGLBSA-N -1 1 304.415 3.703 20 0 DHADMM COc1ccc2cc([C@H](C)C(=O)[N-]OCC(C)C)ccc2c1 ZINC000156439869 1038090778 /nfs/dbraw/zinc/09/07/78/1038090778.db2.gz SDXQPBFIGJPUTR-ZDUSSCGKSA-N -1 1 301.386 3.656 20 0 DHADMM CCN(C(=O)c1cc(SC)ccc1[O-])c1nc(C)cs1 ZINC000669242592 1038201722 /nfs/dbraw/zinc/20/17/22/1038201722.db2.gz VELXNYRAABBIMU-UHFFFAOYSA-N -1 1 308.428 3.546 20 0 DHADMM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)c1cccc(Cl)c1 ZINC000572049155 1038322215 /nfs/dbraw/zinc/32/22/15/1038322215.db2.gz NQLQIWCKBBXPKH-MRVPVSSYSA-N -1 1 311.715 3.815 20 0 DHADMM COc1cc(F)cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1 ZINC001190499303 1038341251 /nfs/dbraw/zinc/34/12/51/1038341251.db2.gz ATXJUQKJCMJVTO-UHFFFAOYSA-N -1 1 321.373 3.513 20 0 DHADMM CC(C)(C)[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC001191240025 1038472817 /nfs/dbraw/zinc/47/28/17/1038472817.db2.gz WREXTGZVJKAFQA-UWVGGRQHSA-N -1 1 321.389 3.710 20 0 DHADMM CCCCc1ccc(S(=O)(=O)[N-]c2ncccc2Cl)cc1 ZINC001191232673 1038473379 /nfs/dbraw/zinc/47/33/79/1038473379.db2.gz CBHFXZJMRWIQPM-UHFFFAOYSA-N -1 1 324.833 3.878 20 0 DHADMM CCCCc1ccc(S(=O)(=O)[N-]c2c(C)ccnc2C)cc1 ZINC001191234057 1038473430 /nfs/dbraw/zinc/47/34/30/1038473430.db2.gz XUVORDUPZIMLEB-UHFFFAOYSA-N -1 1 318.442 3.842 20 0 DHADMM CC1(C)CCC[C@@H](C[N-]S(=O)(=O)c2ccc(C(F)F)o2)C1 ZINC001191384707 1038494433 /nfs/dbraw/zinc/49/44/33/1038494433.db2.gz GWZRPEHXNPHVNR-SNVBAGLBSA-N -1 1 321.389 3.712 20 0 DHADMM C[C@@H]1C[C@@H](NC(=O)c2c(F)ccc([O-])c2F)c2ccccc21 ZINC001192551025 1038673392 /nfs/dbraw/zinc/67/33/92/1038673392.db2.gz ALUHRYNAIKJTMD-NOZJJQNGSA-N -1 1 303.308 3.649 20 0 DHADMM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C)ccc2F)c1 ZINC001192820908 1038704133 /nfs/dbraw/zinc/70/41/33/1038704133.db2.gz GNAGSVBUXJYHCE-UHFFFAOYSA-N -1 1 323.389 3.506 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1ccc(OCC2CC2)cc1 ZINC000605437909 1039681207 /nfs/dbraw/zinc/68/12/07/1039681207.db2.gz BQJFPYVYTNWVHC-UHFFFAOYSA-N -1 1 301.317 3.572 20 0 DHADMM CC(C)Cc1ccc(CC(=O)Nc2c([O-])cccc2F)cc1 ZINC000605440526 1039684416 /nfs/dbraw/zinc/68/44/16/1039684416.db2.gz UCADEQSZIMRWGG-UHFFFAOYSA-N -1 1 301.361 3.911 20 0 DHADMM C[C@H](CCc1ccccc1F)C(=O)Nc1c([O-])cccc1F ZINC000608366404 1040474490 /nfs/dbraw/zinc/47/44/90/1040474490.db2.gz UFVRMDSZSFAZSW-LLVKDONJSA-N -1 1 305.324 3.878 20 0 DHADMM COc1ccccc1[C@@H](C)CC(=O)Nc1c([O-])cccc1F ZINC000608366338 1040475025 /nfs/dbraw/zinc/47/50/25/1040475025.db2.gz SAQVVVZRWPBNAM-NSHDSACASA-N -1 1 303.333 3.672 20 0 DHADMM CC[C@@H](C)Oc1ccc(-c2nc3cccc(F)c3c(=O)[n-]2)cc1 ZINC000601563401 1040689004 /nfs/dbraw/zinc/68/90/04/1040689004.db2.gz FDSFFYTZANDPQC-LLVKDONJSA-N -1 1 312.344 3.907 20 0 DHADMM CCCCC[C@H](C)NC(=O)c1ccc(Br)c([O-])c1 ZINC000228316185 1040793568 /nfs/dbraw/zinc/79/35/68/1040793568.db2.gz IKRHDGKXOWACFI-JTQLQIEISA-N -1 1 314.223 3.853 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)c1cccn1C1CCCC1 ZINC000456787609 1040920378 /nfs/dbraw/zinc/92/03/78/1040920378.db2.gz QQAYDPIGAMBYKP-UHFFFAOYSA-N -1 1 306.312 3.839 20 0 DHADMM CCOc1cc(C(=O)N[C@H]2CC23CCCCC3)cc(Cl)c1[O-] ZINC000186984534 200043635 /nfs/dbraw/zinc/04/36/35/200043635.db2.gz ARLVMGKGSZSECN-AWEZNQCLSA-N -1 1 323.820 3.897 20 0 DHADMM O=C([O-])[C@@H]1C[C@H](NCc2sccc2Cl)c2ccccc21 ZINC000417630471 335018788 /nfs/dbraw/zinc/01/87/88/335018788.db2.gz RBOHHKDDUXRBNN-YPMHNXCESA-N -1 1 307.802 3.804 20 0 DHADMM O=C1[N-]C(=S)SC1=Cc1cc(Br)ccc1F ZINC000016406740 182043741 /nfs/dbraw/zinc/04/37/41/182043741.db2.gz IVXRSNQKSXIEOS-YWEYNIOJSA-N -1 1 318.192 3.917 20 0 DHADMM COc1cc(C(=O)N2CCCC3(CCCC3)C2)cc(Cl)c1[O-] ZINC000442929016 338439548 /nfs/dbraw/zinc/43/95/48/338439548.db2.gz QLQBPGSJUVQILH-UHFFFAOYSA-N -1 1 323.820 3.851 20 0 DHADMM CCOc1cc(C(=O)NC2CCCCCC2)cc(Cl)c1[O-] ZINC000192604203 335033843 /nfs/dbraw/zinc/03/38/43/335033843.db2.gz YGFDAJGETDJVBV-UHFFFAOYSA-N -1 1 311.809 3.897 20 0 DHADMM Cc1nc(C)c(S(=O)(=O)[N-]c2c(C)cccc2Cl)s1 ZINC000274074019 130202822 /nfs/dbraw/zinc/20/28/22/130202822.db2.gz PUDCABYBLYVASN-UHFFFAOYSA-N -1 1 316.835 3.523 20 0 DHADMM CCOc1cc(-c2noc([C@@H]3CCCCO3)n2)cc(Cl)c1[O-] ZINC000278032838 130658316 /nfs/dbraw/zinc/65/83/16/130658316.db2.gz XAMDJUBATJHBEA-NSHDSACASA-N -1 1 324.764 3.736 20 0 DHADMM CC[C@H](c1ccccc1)N(CC)C(=O)C(=O)c1ccc([O-])cc1 ZINC000287698527 131295398 /nfs/dbraw/zinc/29/53/98/131295398.db2.gz MSVQVVZXANPGGG-QGZVFWFLSA-N -1 1 311.381 3.575 20 0 DHADMM CC(=O)CC(C)(C)Cc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000289067962 131355513 /nfs/dbraw/zinc/35/55/13/131355513.db2.gz MBZZZUQFRWGMQC-UHFFFAOYSA-N -1 1 308.765 3.643 20 0 DHADMM CC1(C)CN(C(=O)c2cc(F)ccc2[O-])CC[C@H]1C(F)(F)F ZINC000190748985 335088054 /nfs/dbraw/zinc/08/80/54/335088054.db2.gz OXBQRAXCHWEVTR-GFCCVEGCSA-N -1 1 319.298 3.582 20 0 DHADMM O=C(NCc1cc(Cl)sc1Cl)c1c([O-])cccc1F ZINC000312815466 331749636 /nfs/dbraw/zinc/74/96/36/331749636.db2.gz GOYGXTCSTIMJPL-UHFFFAOYSA-N -1 1 320.172 3.830 20 0 DHADMM CC[C@@H](CSC)N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000091147881 332062272 /nfs/dbraw/zinc/06/22/72/332062272.db2.gz PSLZJERUUPQHMQ-ZDUSSCGKSA-N -1 1 303.427 3.759 20 0 DHADMM COc1ccccc1CN[C@@H](C(=O)[O-])c1ccc(Cl)c(C)c1 ZINC000426778922 332152436 /nfs/dbraw/zinc/15/24/36/332152436.db2.gz BTTOXGPQJUDZLH-MRXNPFEDSA-N -1 1 319.788 3.573 20 0 DHADMM O=C([O-])[C@H](CCc1ccccc1)NCc1cc2ccccc2o1 ZINC000426782416 332152520 /nfs/dbraw/zinc/15/25/20/332152520.db2.gz GAOQWYHNMJYHLU-KRWDZBQOSA-N -1 1 309.365 3.608 20 0 DHADMM CC(C)Oc1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000426791350 332154010 /nfs/dbraw/zinc/15/40/10/332154010.db2.gz IANQUBIWLUDFGE-KRWDZBQOSA-N -1 1 317.360 3.528 20 0 DHADMM CC(C)(C)C[C@H](NCc1ccc(-c2ccccc2)o1)C(=O)[O-] ZINC000426833774 332156542 /nfs/dbraw/zinc/15/65/42/332156542.db2.gz MRKULHOOAZFEEY-HNNXBMFYSA-N -1 1 301.386 3.926 20 0 DHADMM CCC[C@@H](C)C[C@@H](NCc1cc2cc(OC)ccc2o1)C(=O)[O-] ZINC000426821071 332157623 /nfs/dbraw/zinc/15/76/23/332157623.db2.gz PPHQOQLJDLOLSQ-MLGOLLRUSA-N -1 1 319.401 3.811 20 0 DHADMM CCC[C@H](C)C[C@H](NCc1cnc(C(C)(C)C)s1)C(=O)[O-] ZINC000426825692 332158291 /nfs/dbraw/zinc/15/82/91/332158291.db2.gz REBSPLNPYTUGQB-AAEUAGOBSA-N -1 1 312.479 3.810 20 0 DHADMM CCC[C@H](C)C[C@@H](NCc1cnc(C(C)(C)C)s1)C(=O)[O-] ZINC000426825696 332158321 /nfs/dbraw/zinc/15/83/21/332158321.db2.gz REBSPLNPYTUGQB-WCQYABFASA-N -1 1 312.479 3.810 20 0 DHADMM O=S(=O)([N-][C@@H]1CC[C@H]2CCC[C@H]2C1)c1cc2ccccc2o1 ZINC000531010379 332208607 /nfs/dbraw/zinc/20/86/07/332208607.db2.gz ZIPXRXAPEGNGTG-VNHYZAJKSA-N -1 1 319.426 3.680 20 0 DHADMM CC[C@H](C)C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000560503421 332347419 /nfs/dbraw/zinc/34/74/19/332347419.db2.gz OILRJLTZSSJWKA-LURJTMIESA-N -1 1 306.587 3.793 20 0 DHADMM C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000182032168 333036496 /nfs/dbraw/zinc/03/64/96/333036496.db2.gz HZNOKGIGGUQSAZ-NXEZZACHSA-N -1 1 301.308 3.814 20 0 DHADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)cc1 ZINC000319242658 333277125 /nfs/dbraw/zinc/27/71/25/333277125.db2.gz XDIPIUHFANAYOX-GFCCVEGCSA-N -1 1 321.446 3.847 20 0 DHADMM O=C(NC1CCC(F)(F)CC1)c1cc2ccccc2cc1[O-] ZINC000390538855 333292917 /nfs/dbraw/zinc/29/29/17/333292917.db2.gz ZPLCKMJQXPITIH-UHFFFAOYSA-N -1 1 305.324 3.853 20 0 DHADMM C[C@@H](CNC(=O)c1ccc2ccccc2c1[O-])c1nccs1 ZINC000184297306 333354961 /nfs/dbraw/zinc/35/49/61/333354961.db2.gz WZVIOGPUUGRMKN-NSHDSACASA-N -1 1 312.394 3.535 20 0 DHADMM Cc1cnc(S[C@H](C)C(=O)c2ccc(C(C)C)cc2)[n-]c1=O ZINC000563440098 333606093 /nfs/dbraw/zinc/60/60/93/333606093.db2.gz OLGXQHGJEJZASS-GFCCVEGCSA-N -1 1 316.426 3.978 20 0 DHADMM O=C(C[C@H](c1ccc(O)cc1)C1CC1)Nc1ccc(F)cc1[O-] ZINC000412188502 333737753 /nfs/dbraw/zinc/73/77/53/333737753.db2.gz BUJQAMDFLUDTNM-HNNXBMFYSA-N -1 1 315.344 3.759 20 0 DHADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(C3CC3)cc2)[n-]c1=O ZINC000414076744 333892298 /nfs/dbraw/zinc/89/22/98/333892298.db2.gz PBVMBNWLDUCWKG-ZRDIBKRKSA-N -1 1 324.380 3.797 20 0 DHADMM CC[C@@H](C)N(CC(=O)[O-])Cc1ccc(-c2ccccc2F)o1 ZINC000414684708 334068748 /nfs/dbraw/zinc/06/87/48/334068748.db2.gz RMEBFIFIXCNHCX-GFCCVEGCSA-N -1 1 305.349 3.771 20 0 DHADMM COc1cc(C(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)cc(Cl)c1[O-] ZINC000443108492 338444972 /nfs/dbraw/zinc/44/49/72/338444972.db2.gz MXGIFJRRBVLMOF-JFGNBEQYSA-N -1 1 311.809 3.609 20 0 DHADMM Cc1ccc(C)c(SCC(=O)Nc2ccc(F)cc2[O-])c1 ZINC000532012967 334373846 /nfs/dbraw/zinc/37/38/46/334373846.db2.gz UBSQUKNJJRIGQW-UHFFFAOYSA-N -1 1 305.374 3.879 20 0 DHADMM COc1cc(C(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)cc(Cl)c1[O-] ZINC000443138412 338445296 /nfs/dbraw/zinc/44/52/96/338445296.db2.gz VHFZDVZQUDVNLJ-APPDUMDISA-N -1 1 323.820 3.707 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2cccc3ccncc32)cc1 ZINC000532037141 334382983 /nfs/dbraw/zinc/38/29/83/334382983.db2.gz BFTNTMSMMXYMBV-UHFFFAOYSA-N -1 1 312.394 3.598 20 0 DHADMM CC[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)[C@H]1CC1(C)C ZINC000416276453 334658957 /nfs/dbraw/zinc/65/89/57/334658957.db2.gz MQVZKQUSQGIVSH-ZYHUDNBSSA-N -1 1 311.809 3.609 20 0 DHADMM CC1(C)CN(C(=O)c2cc(Cl)ccc2[O-])CC2(CCCC2)O1 ZINC000189948766 334917075 /nfs/dbraw/zinc/91/70/75/334917075.db2.gz LBZCMUZLSJHWTJ-UHFFFAOYSA-N -1 1 323.820 3.609 20 0 DHADMM O=C(Nc1ccc(Cl)cc1[O-])c1ccc2c(c1)CCCC2=O ZINC000343883437 335199849 /nfs/dbraw/zinc/19/98/49/335199849.db2.gz BCNAPZJPJDNEQK-UHFFFAOYSA-N -1 1 315.756 3.817 20 0 DHADMM Cc1ccc(Cl)c2sc(NC(=O)c3cncc([O-])c3)nc21 ZINC000344482792 335252802 /nfs/dbraw/zinc/25/28/02/335252802.db2.gz YXBAFJOPEDWKEI-UHFFFAOYSA-N -1 1 319.773 3.611 20 0 DHADMM Cc1n[nH]c(C(C)C)c1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000345577506 335335768 /nfs/dbraw/zinc/33/57/68/335335768.db2.gz BPCKZIHHXQEDPG-UHFFFAOYSA-N -1 1 311.744 3.592 20 0 DHADMM O=C(c1cncc([O-])c1)N1CCC[C@@H]1c1cccc2ccccc21 ZINC000346207447 335390493 /nfs/dbraw/zinc/39/04/93/335390493.db2.gz CYVKSWMNPYKZQL-LJQANCHMSA-N -1 1 318.376 3.918 20 0 DHADMM Cc1ncc(/C=C/c2nc(-c3ccc([O-])c(F)c3)no2)s1 ZINC000445482509 338496420 /nfs/dbraw/zinc/49/64/20/338496420.db2.gz QGJFUIFSHZVTOI-HWKANZROSA-N -1 1 303.318 3.517 20 0 DHADMM [O-]c1ccc(-c2noc(/C=C/c3ccc(F)cc3)n2)cc1F ZINC000445483714 338496579 /nfs/dbraw/zinc/49/65/79/338496579.db2.gz UBLJBRYXZWFXBS-FPYGCLRLSA-N -1 1 300.264 3.891 20 0 DHADMM Cc1ccccc1OCCCC(=O)Nc1ccc(F)cc1[O-] ZINC000536212313 335832061 /nfs/dbraw/zinc/83/20/61/335832061.db2.gz AWECWLOEHXYVIM-UHFFFAOYSA-N -1 1 303.333 3.637 20 0 DHADMM O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(F)cc1[O-] ZINC000532266733 335927438 /nfs/dbraw/zinc/92/74/38/335927438.db2.gz WZTYFNBNRULHJK-UHFFFAOYSA-N -1 1 323.751 3.982 20 0 DHADMM CC(C)Oc1ccc(N(C)C(=O)c2cc(F)ccc2[O-])cc1 ZINC000192266927 336024399 /nfs/dbraw/zinc/02/43/99/336024399.db2.gz DPBMNTPKUZEWLI-UHFFFAOYSA-N -1 1 303.333 3.595 20 0 DHADMM Cc1nc(-c2ccc(NC[C@@H]3CC=CCC3)nc2)[n-]c(=O)c1C ZINC000301370453 336302999 /nfs/dbraw/zinc/30/29/99/336302999.db2.gz PIQFFBGLMOESDX-CQSZACIVSA-N -1 1 310.401 3.629 20 0 DHADMM Cc1ccccc1CNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301377452 336303445 /nfs/dbraw/zinc/30/34/45/336303445.db2.gz WRZSXKUYVCMXJC-UHFFFAOYSA-N -1 1 320.396 3.782 20 0 DHADMM Cc1nc(-c2ccc(N[C@H]3CCC[C@H](C)C3)nc2)[n-]c(=O)c1C ZINC000301382801 336303664 /nfs/dbraw/zinc/30/36/64/336303664.db2.gz VKGKVOAAFASSGP-NHYWBVRUSA-N -1 1 312.417 3.852 20 0 DHADMM CC[C@@H](C)[C@@H](C)Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301760506 336328195 /nfs/dbraw/zinc/32/81/95/336328195.db2.gz MARVGCCAYQCYFI-ZYHUDNBSSA-N -1 1 300.406 3.708 20 0 DHADMM CCOc1cc(C(=O)N(C)[C@H](C)C2CCC2)cc(Cl)c1[O-] ZINC000358002311 336605653 /nfs/dbraw/zinc/60/56/53/336605653.db2.gz LBDDDQSBDDORKC-SNVBAGLBSA-N -1 1 311.809 3.705 20 0 DHADMM CCOc1cc(C(=O)N2CCC(CC)CC2)cc(Cl)c1[O-] ZINC000358132227 336612571 /nfs/dbraw/zinc/61/25/71/336612571.db2.gz NTUOMMHIGBZYBZ-UHFFFAOYSA-N -1 1 311.809 3.707 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(OC2CCCC2)nc1 ZINC000359370450 336669890 /nfs/dbraw/zinc/66/98/90/336669890.db2.gz ZMDVQDIOCSPORU-UHFFFAOYSA-N -1 1 316.332 3.500 20 0 DHADMM COc1cc(SC)ccc1NC(=O)c1cc(F)ccc1[O-] ZINC000193261368 336691984 /nfs/dbraw/zinc/69/19/84/336691984.db2.gz UNMLRGHUWPCSQL-UHFFFAOYSA-N -1 1 307.346 3.514 20 0 DHADMM Oc1cc(F)cc(CNCc2cccc(-c3cccnc3)c2)c1 ZINC000375079967 337002893 /nfs/dbraw/zinc/00/28/93/337002893.db2.gz SHIXCFRDDCYMJR-UHFFFAOYSA-N -1 1 308.356 3.883 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC=C(c2ccco2)C1 ZINC000376038571 337025641 /nfs/dbraw/zinc/02/56/41/337025641.db2.gz XGJQCLGQPGTYRB-UHFFFAOYSA-N -1 1 303.745 3.568 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CCC[C@H]1/C=C/c1cccs1 ZINC000376303326 337030904 /nfs/dbraw/zinc/03/09/04/337030904.db2.gz LNFGUYRCBQJXBG-PZBABLGHSA-N -1 1 317.385 3.911 20 0 DHADMM CCc1nc(S[C@H]2CCc3ccc(F)cc32)[n-]c(=O)c1C ZINC000582796316 337169174 /nfs/dbraw/zinc/16/91/74/337169174.db2.gz BRWSPYDKHVZHMU-AWEZNQCLSA-N -1 1 304.390 3.972 20 0 DHADMM C[C@H]1C[C@@H](c2cccnc2)N(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000182809472 337188292 /nfs/dbraw/zinc/18/82/92/337188292.db2.gz CZXLXOLOTMXDHN-NHYWBVRUSA-N -1 1 316.788 3.664 20 0 DHADMM Cc1csc(-c2nc(=O)c3c(CC(C)C)csc3[n-]2)n1 ZINC000183640648 337194058 /nfs/dbraw/zinc/19/40/58/337194058.db2.gz UIGMVCGUPJOTHM-UHFFFAOYSA-N -1 1 305.428 3.615 20 0 DHADMM Cc1cc(CN2CC=C(c3cccc(C)c3)CC2)oc1C(=O)[O-] ZINC000582910548 337216524 /nfs/dbraw/zinc/21/65/24/337216524.db2.gz PAWDNGWXZDKGLV-UHFFFAOYSA-N -1 1 311.381 3.884 20 0 DHADMM COC(=O)c1c[n-]c(SCCCSCc2ccccc2)n1 ZINC000187593286 337267175 /nfs/dbraw/zinc/26/71/75/337267175.db2.gz LCCGHVMAJYKWNF-UHFFFAOYSA-N -1 1 322.455 3.612 20 0 DHADMM CC(=O)Nc1cccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000192182233 337303800 /nfs/dbraw/zinc/30/38/00/337303800.db2.gz ZDVBBTXXKYXCNW-UHFFFAOYSA-N -1 1 319.748 3.648 20 0 DHADMM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1ccc(Cl)o1 ZINC000152482018 337446803 /nfs/dbraw/zinc/44/68/03/337446803.db2.gz WMPJYSSPTUUPRF-ZZXKWVIFSA-N -1 1 321.745 3.800 20 0 DHADMM CC(C)(C)c1nnsc1C(=O)[N-]c1cc(F)cc(F)c1F ZINC000572068865 337588415 /nfs/dbraw/zinc/58/84/15/337588415.db2.gz XWCFRNJZMAYVDQ-UHFFFAOYSA-N -1 1 315.320 3.505 20 0 DHADMM Cc1csc(C2(NCc3cccc(C(=O)[O-])c3)CCCC2)n1 ZINC000263380379 337627338 /nfs/dbraw/zinc/62/73/38/337627338.db2.gz BNZVNYLAAKXQLG-UHFFFAOYSA-N -1 1 316.426 3.709 20 0 DHADMM [O-]c1ccc(-c2noc(CCc3cccs3)n2)c(Cl)c1 ZINC000445448720 337854730 /nfs/dbraw/zinc/85/47/30/337854730.db2.gz LYLDNLQKHDNUPB-UHFFFAOYSA-N -1 1 306.774 3.942 20 0 DHADMM Cc1nc(SCc2csc(C(C)(C)C)n2)[n-]c(=O)c1C ZINC000537416543 337934220 /nfs/dbraw/zinc/93/42/20/337934220.db2.gz IGOVRRKZAKBECJ-UHFFFAOYSA-N -1 1 309.460 3.845 20 0 DHADMM CCC(=C([O-])c1ccccc1)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000315325662 337984459 /nfs/dbraw/zinc/98/44/59/337984459.db2.gz UZARCHYZWHVFMB-QGZVFWFLSA-N -1 1 316.422 3.739 20 0 DHADMM CSc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445457899 338017870 /nfs/dbraw/zinc/01/78/70/338017870.db2.gz UWBXDWKCTFOVKZ-UHFFFAOYSA-N -1 1 302.330 3.970 20 0 DHADMM Cc1cc(-c2nc(-c3ccc([O-])cc3F)no2)c(F)cc1F ZINC000445458502 338018135 /nfs/dbraw/zinc/01/81/35/338018135.db2.gz YKCUZIBDUMGNRE-UHFFFAOYSA-N -1 1 306.243 3.835 20 0 DHADMM [O-]c1ccc(-c2noc([C@@H]3Cc4ccccc4S3)n2)c(F)c1 ZINC000445460714 338020717 /nfs/dbraw/zinc/02/07/17/338020717.db2.gz CKCRPQWSFQSDMG-AWEZNQCLSA-N -1 1 314.341 3.971 20 0 DHADMM O=C([O-])c1coc(CNCc2ccc(-c3ccccc3)s2)c1 ZINC000426713295 338038866 /nfs/dbraw/zinc/03/88/66/338038866.db2.gz DNLJHOFXEZSZKV-UHFFFAOYSA-N -1 1 313.378 3.996 20 0 DHADMM CCc1ccc(-c2nc(CN(C)CCCC(=O)[O-])cs2)cc1 ZINC000430659872 338110631 /nfs/dbraw/zinc/11/06/31/338110631.db2.gz MMEBJXKQXIRVRY-UHFFFAOYSA-N -1 1 318.442 3.669 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c(C)s1 ZINC000431153304 338124381 /nfs/dbraw/zinc/12/43/81/338124381.db2.gz YJPWAVMHNFLABC-UHFFFAOYSA-N -1 1 321.345 3.583 20 0 DHADMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2F)s1 ZINC000431172592 338124828 /nfs/dbraw/zinc/12/48/28/338124828.db2.gz KXBJUEIZJSKANB-UHFFFAOYSA-N -1 1 319.810 3.958 20 0 DHADMM CCOC(=O)c1cnc(C(C)=Cc2cc3ccccc3o2)[n-]c1=O ZINC000432709888 338163681 /nfs/dbraw/zinc/16/36/81/338163681.db2.gz UPASSBQEBBRHKF-FLIBITNWSA-N -1 1 324.336 3.666 20 0 DHADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(F)c(C)c1 ZINC000436004803 338255620 /nfs/dbraw/zinc/25/56/20/338255620.db2.gz PLZLWZOGIGNNIA-UHFFFAOYSA-N -1 1 311.403 3.657 20 0 DHADMM CC[C@@H]1C[C@]1(NC(=O)c1ccc([O-])cc1F)c1cccc(C)c1 ZINC000436510924 338274709 /nfs/dbraw/zinc/27/47/09/338274709.db2.gz JSHAOUQFGREYJL-BFUOFWGJSA-N -1 1 313.372 3.895 20 0 DHADMM C[C@]1(c2ccccc2)CCCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000436544872 338276254 /nfs/dbraw/zinc/27/62/54/338276254.db2.gz LERZVCLYBSCLNK-IBGZPJMESA-N -1 1 313.372 3.725 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCCC[C@@H]1Cc1ccccc1 ZINC000436548603 338276569 /nfs/dbraw/zinc/27/65/69/338276569.db2.gz VIYTWMGWFYEXOB-MRXNPFEDSA-N -1 1 313.372 3.769 20 0 DHADMM CCC(CC)CN(CC)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436549731 338276724 /nfs/dbraw/zinc/27/67/24/338276724.db2.gz VWNJZLHUPLKWPG-UHFFFAOYSA-N -1 1 313.825 3.953 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2ccc(-c3nc[nH]n3)cc2)c([O-])c1 ZINC000436553490 338276841 /nfs/dbraw/zinc/27/68/41/338276841.db2.gz HAZDWSWRXFRJKO-UHFFFAOYSA-N -1 1 322.368 3.553 20 0 DHADMM Cc1cc2c[nH]nc2cc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000436560277 338276984 /nfs/dbraw/zinc/27/69/84/338276984.db2.gz CIHKWOWQGCBJEH-UHFFFAOYSA-N -1 1 317.348 3.982 20 0 DHADMM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000436567256 338277402 /nfs/dbraw/zinc/27/74/02/338277402.db2.gz ZSEAJVIXNKKCKJ-KWQFWETISA-N -1 1 321.726 3.849 20 0 DHADMM CC(C)[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CCS1 ZINC000436577270 338277960 /nfs/dbraw/zinc/27/79/60/338277960.db2.gz STCKWPOCWYJVAL-MRXNPFEDSA-N -1 1 315.438 3.759 20 0 DHADMM CC(C)Cn1cc(NC(=O)c2ccc3ccccc3c2[O-])cn1 ZINC000436578410 338277972 /nfs/dbraw/zinc/27/79/72/338277972.db2.gz VOKXYFSOBAPVPP-UHFFFAOYSA-N -1 1 309.369 3.650 20 0 DHADMM COc1ccc(C)nc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000436581230 338278130 /nfs/dbraw/zinc/27/81/30/338278130.db2.gz ZDONPFOYFKMPRR-UHFFFAOYSA-N -1 1 308.337 3.510 20 0 DHADMM COc1cc(-c2nc3cccc(C)c3c(=O)[nH]2)cc(Cl)c1[O-] ZINC000436594600 338279144 /nfs/dbraw/zinc/27/91/44/338279144.db2.gz HTCGYBNPSOYKMM-UHFFFAOYSA-N -1 1 316.744 3.678 20 0 DHADMM O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1cc2ccccc2cc1[O-] ZINC000436596096 338279190 /nfs/dbraw/zinc/27/91/90/338279190.db2.gz KYLDTBQFHHFBFU-YZGWKJHDSA-N -1 1 315.372 3.614 20 0 DHADMM C[C@@H](Cc1cccc(O)c1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000436608702 338279871 /nfs/dbraw/zinc/27/98/71/338279871.db2.gz VJBKJNCZLZZZPJ-ZDUSSCGKSA-N -1 1 321.376 3.612 20 0 DHADMM Cc1cc(O)c(C(C)C)cc1C(=O)Nc1ccc(F)cc1[O-] ZINC000436629591 338280639 /nfs/dbraw/zinc/28/06/39/338280639.db2.gz KWTPQXYKGRHXIP-UHFFFAOYSA-N -1 1 303.333 3.921 20 0 DHADMM C[C@H](Cc1ccccc1F)NC(=O)c1ccc(Cl)cc1[O-] ZINC000436672572 338282313 /nfs/dbraw/zinc/28/23/13/338282313.db2.gz MIOFFIQLZDYZOZ-SNVBAGLBSA-N -1 1 307.752 3.546 20 0 DHADMM C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccc2ncsc2c1 ZINC000436679748 338282525 /nfs/dbraw/zinc/28/25/25/338282525.db2.gz HHCCNGDYPNFBOR-SECBINFHSA-N -1 1 316.357 3.632 20 0 DHADMM Cc1ccc(C(C)(C)CNC(=O)c2ccc([O-])cc2F)c(C)c1 ZINC000436698198 338283114 /nfs/dbraw/zinc/28/31/14/338283114.db2.gz OZMLUAQCEOASGN-UHFFFAOYSA-N -1 1 315.388 3.856 20 0 DHADMM COc1cc(NC(=O)c2ccc(C(C)C)cc2[O-])cc(OC)c1 ZINC000436704043 338283359 /nfs/dbraw/zinc/28/33/59/338283359.db2.gz NUROGTPMVIYGQT-UHFFFAOYSA-N -1 1 315.369 3.785 20 0 DHADMM CCOc1ccc(CNC(=O)c2c([O-])cccc2F)cc1Cl ZINC000436708123 338283457 /nfs/dbraw/zinc/28/34/57/338283457.db2.gz ZZEJTVKAUIFMHC-UHFFFAOYSA-N -1 1 323.751 3.513 20 0 DHADMM O=C(Nc1ccnc(Sc2ccccn2)c1)c1ccccc1[O-] ZINC000436707861 338283581 /nfs/dbraw/zinc/28/35/81/338283581.db2.gz HXDQTNNAOWAXCN-UHFFFAOYSA-N -1 1 323.377 3.586 20 0 DHADMM C[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])[C@H]1c1ccccc1 ZINC000436717094 338283798 /nfs/dbraw/zinc/28/37/98/338283798.db2.gz DPGONMQVPFYVFO-MEDUHNTESA-N -1 1 301.773 3.879 20 0 DHADMM CC[C@](C)(NC(=O)c1ccc(Cl)cc1[O-])c1nc(C)cs1 ZINC000436722005 338284237 /nfs/dbraw/zinc/28/42/37/338284237.db2.gz ZVRAAZAELIDHDI-HNNXBMFYSA-N -1 1 324.833 3.866 20 0 DHADMM O=C([N-]c1csnc1-c1ccccc1)c1cc(C2CC2)no1 ZINC000436723967 338284302 /nfs/dbraw/zinc/28/43/02/338284302.db2.gz OWWACNSCFJOTRZ-UHFFFAOYSA-N -1 1 311.366 3.928 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N(CC1CC1)CC1CC1 ZINC000436750007 338285484 /nfs/dbraw/zinc/28/54/84/338285484.db2.gz DGUUQMFSAMNEEA-UHFFFAOYSA-N -1 1 313.319 3.673 20 0 DHADMM O=C(N[C@H]1CCSc2ccc(F)cc21)c1cc(F)ccc1[O-] ZINC000436757743 338285725 /nfs/dbraw/zinc/28/57/25/338285725.db2.gz WWHMEHOPCIHKMT-ZDUSSCGKSA-N -1 1 321.348 3.637 20 0 DHADMM C[C@H](c1c(F)cccc1F)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000436760008 338285936 /nfs/dbraw/zinc/28/59/36/338285936.db2.gz KEWDRFHPCZYVMB-SECBINFHSA-N -1 1 309.287 3.643 20 0 DHADMM CN(Cc1cccs1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436763005 338286236 /nfs/dbraw/zinc/28/62/36/338286236.db2.gz HXYZPPANGNWXOV-UHFFFAOYSA-N -1 1 315.316 3.745 20 0 DHADMM CCCCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1CC1 ZINC000436769208 338286627 /nfs/dbraw/zinc/28/66/27/338286627.db2.gz YJBODWBMYGVOLH-UHFFFAOYSA-N -1 1 301.308 3.816 20 0 DHADMM COc1cc(C)c(NC(=O)c2cc(F)ccc2[O-])c(C)c1C ZINC000436781164 338287141 /nfs/dbraw/zinc/28/71/41/338287141.db2.gz RXGCYGGHSZCSLO-UHFFFAOYSA-N -1 1 303.333 3.717 20 0 DHADMM CSc1ccc([C@@H](C)NC(=O)c2ccc([O-])cc2F)cc1 ZINC000436784796 338287288 /nfs/dbraw/zinc/28/72/88/338287288.db2.gz YNFAZIIVQTZQSC-SNVBAGLBSA-N -1 1 305.374 3.744 20 0 DHADMM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1cc(F)ccc1[O-] ZINC000436791490 338287415 /nfs/dbraw/zinc/28/74/15/338287415.db2.gz JSMRPWHZDXKPGS-DVOMOZLQSA-N -1 1 313.372 3.938 20 0 DHADMM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1cc(F)ccc1[O-] ZINC000436791493 338287422 /nfs/dbraw/zinc/28/74/22/338287422.db2.gz JSMRPWHZDXKPGS-WWGRRREGSA-N -1 1 313.372 3.938 20 0 DHADMM CC(C)C[C@H](C)n1nccc1NC(=O)c1ccc([O-])cc1F ZINC000436789051 338287424 /nfs/dbraw/zinc/28/74/24/338287424.db2.gz BTMXUHVTPOXSEL-NSHDSACASA-N -1 1 305.353 3.587 20 0 DHADMM Cc1oc2ccccc2c1CCNC(=O)c1ccc([O-])cc1F ZINC000436801368 338287899 /nfs/dbraw/zinc/28/78/99/338287899.db2.gz RRJLTSATDWFAIA-UHFFFAOYSA-N -1 1 313.328 3.558 20 0 DHADMM O=C(Nc1nc(-c2ccccc2F)cs1)c1ccccc1[O-] ZINC000436814679 338288256 /nfs/dbraw/zinc/28/82/56/338288256.db2.gz TTXNLFXZSNXVLE-UHFFFAOYSA-N -1 1 314.341 3.907 20 0 DHADMM Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3[O-])on2)cc1 ZINC000436816104 338288323 /nfs/dbraw/zinc/28/83/23/338288323.db2.gz ZVNFSHKDXCZPIK-UHFFFAOYSA-N -1 1 312.300 3.747 20 0 DHADMM O=C(N[C@@H]1CCCc2occc21)c1cc2ccccc2cc1[O-] ZINC000436833212 338289094 /nfs/dbraw/zinc/28/90/94/338289094.db2.gz UTAMSPMOIJCYBR-MRXNPFEDSA-N -1 1 307.349 3.946 20 0 DHADMM Cc1cccc2c1CN(C(=O)c1cc(Cl)ccc1[O-])CC2 ZINC000436850568 338289795 /nfs/dbraw/zinc/28/97/95/338289795.db2.gz IMPJZWCVISMAOM-UHFFFAOYSA-N -1 1 301.773 3.553 20 0 DHADMM O=C(NCc1ccc2ncccc2c1)c1cc(Cl)ccc1[O-] ZINC000436856578 338289981 /nfs/dbraw/zinc/28/99/81/338289981.db2.gz MLWRDZPQEQGVJH-UHFFFAOYSA-N -1 1 312.756 3.524 20 0 DHADMM O=C(N[C@@H]1CSc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000436855050 338290112 /nfs/dbraw/zinc/29/01/12/338290112.db2.gz WCVNOKMEYMXAHD-GFCCVEGCSA-N -1 1 305.786 3.622 20 0 DHADMM CC(C)[C@H](c1nc(-c2ccc([O-])cc2F)no1)c1cccnc1 ZINC000436875629 338291111 /nfs/dbraw/zinc/29/11/11/338291111.db2.gz VGULUYOZXCYWLA-HNNXBMFYSA-N -1 1 313.332 3.764 20 0 DHADMM C[C@H]1CCN(C(=O)c2ccc([O-])cc2F)[C@@H]1c1cccc(F)c1 ZINC000436878340 338291326 /nfs/dbraw/zinc/29/13/26/338291326.db2.gz FUHUCOXRGPCVOZ-GTNSWQLSSA-N -1 1 317.335 3.894 20 0 DHADMM C[C@@H](NC(=O)c1cc(Cl)ccc1[O-])c1c(F)cccc1F ZINC000436892179 338292075 /nfs/dbraw/zinc/29/20/75/338292075.db2.gz IJMFVYDRKUHLHM-MRVPVSSYSA-N -1 1 311.715 3.815 20 0 DHADMM C[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1c(F)cccc1F ZINC000436892180 338292198 /nfs/dbraw/zinc/29/21/98/338292198.db2.gz IJMFVYDRKUHLHM-QMMMGPOBSA-N -1 1 311.715 3.815 20 0 DHADMM Cc1ccncc1CN(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000436914354 338293269 /nfs/dbraw/zinc/29/32/69/338293269.db2.gz ZDFQPRWCLQBFOF-UHFFFAOYSA-N -1 1 306.365 3.521 20 0 DHADMM C[C@@H](CNC(=O)c1cc(Cl)ccc1[O-])Cc1cccs1 ZINC000436925481 338293941 /nfs/dbraw/zinc/29/39/41/338293941.db2.gz GGQBDPJTEKASMU-SNVBAGLBSA-N -1 1 309.818 3.716 20 0 DHADMM COc1ccc(-c2nc(CCCc3ccsc3)no2)c([O-])c1 ZINC000436944981 338295250 /nfs/dbraw/zinc/29/52/50/338295250.db2.gz DHTMELGFKLCLCQ-UHFFFAOYSA-N -1 1 316.382 3.688 20 0 DHADMM CC(F)(F)c1ccc(CNC(=O)c2cc(F)ccc2[O-])cc1 ZINC000436950825 338295605 /nfs/dbraw/zinc/29/56/05/338295605.db2.gz WBZLJAHBZAKFNW-UHFFFAOYSA-N -1 1 309.287 3.573 20 0 DHADMM O=C(Nc1ccc(Cl)cc1OC(F)F)c1ccccc1[O-] ZINC000436958275 338295823 /nfs/dbraw/zinc/29/58/23/338295823.db2.gz FZYHPQCIGUNLAS-UHFFFAOYSA-N -1 1 313.687 3.899 20 0 DHADMM CC[C@@H](C)n1nc(C(=O)Nc2ccc(Cl)cc2[O-])cc1C ZINC000437002471 338297389 /nfs/dbraw/zinc/29/73/89/338297389.db2.gz HOPRUZVXCQBULS-SECBINFHSA-N -1 1 307.781 3.774 20 0 DHADMM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1cc(F)ccc1[O-] ZINC000439052980 338359731 /nfs/dbraw/zinc/35/97/31/338359731.db2.gz FAZJVTORXPJCAC-QWRGUYRKSA-N -1 1 317.335 3.818 20 0 DHADMM CCCn1ccc2ccc(NC(=O)c3ccc(O)cc3[O-])cc21 ZINC000439060853 338359883 /nfs/dbraw/zinc/35/98/83/338359883.db2.gz QJEYQWFLRFUUKU-UHFFFAOYSA-N -1 1 310.353 3.715 20 0 DHADMM Cc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)c(C2CC2)n1 ZINC000455996790 338915987 /nfs/dbraw/zinc/91/59/87/338915987.db2.gz NPOZDALSKMAONG-UHFFFAOYSA-N -1 1 302.761 3.879 20 0 DHADMM CCC(CC)n1ncc(C(=O)Nc2ccc([O-])c(F)c2F)c1C ZINC000456780967 338940423 /nfs/dbraw/zinc/94/04/23/338940423.db2.gz JJPUTNADEBKWCD-UHFFFAOYSA-N -1 1 323.343 3.789 20 0 DHADMM CCC(CC)n1nc(C)cc1C(=O)Nc1ccc([O-])c(F)c1F ZINC000456790149 338940899 /nfs/dbraw/zinc/94/08/99/338940899.db2.gz VUSBDQXUQKVBQL-UHFFFAOYSA-N -1 1 323.343 3.789 20 0 DHADMM O=C(C[C@H]1CCc2ccccc2C1)Nc1ccc([O-])c(F)c1F ZINC000456792009 338941010 /nfs/dbraw/zinc/94/10/10/338941010.db2.gz ZHSPLPDDEVGZHR-NSHDSACASA-N -1 1 317.335 3.804 20 0 DHADMM Cc1cnc(C(=O)N2CCCC3(C2)CCCCCC3)c([O-])c1 ZINC000460186000 339012134 /nfs/dbraw/zinc/01/21/34/339012134.db2.gz VUMSUMCUKWFUPG-UHFFFAOYSA-N -1 1 302.418 3.672 20 0 DHADMM Cc1cc([C@H](C)NCc2cc(=O)[nH]c(C3CC3)n2)c(C)s1 ZINC000459391981 339026497 /nfs/dbraw/zinc/02/64/97/339026497.db2.gz KUYMMQVBEDRICL-JTQLQIEISA-N -1 1 303.431 3.589 20 0 DHADMM C[C@H](NCc1cccc([O-])c1Cl)c1nc2c(s1)CCC2 ZINC000459650897 339040485 /nfs/dbraw/zinc/04/04/85/339040485.db2.gz OIBIPXLJHFPIAX-VIFPVBQESA-N -1 1 308.834 3.842 20 0 DHADMM Cc1ccc([C@@H]2CCCCN2C(=O)c2ncc(C)cc2[O-])cc1 ZINC000460277186 339054247 /nfs/dbraw/zinc/05/42/47/339054247.db2.gz PXOCTGXRUGXADX-INIZCTEOSA-N -1 1 310.397 3.771 20 0 DHADMM CCCc1cc(=O)[n-]c(SCc2nc3cc(F)ccc3o2)n1 ZINC000464914582 339161700 /nfs/dbraw/zinc/16/17/00/339161700.db2.gz VNMNHONHCFQLJP-UHFFFAOYSA-N -1 1 319.361 3.707 20 0 DHADMM O=C(Nc1cccc(C(F)F)c1)c1cn[nH]c1-c1ccncc1 ZINC000471986189 339358762 /nfs/dbraw/zinc/35/87/62/339358762.db2.gz WFVNDWHXDNKBPC-UHFFFAOYSA-N -1 1 314.295 3.662 20 0 DHADMM O=C(N[C@@H](c1cccc(Cl)c1)C1CCCCC1)c1cnn[nH]1 ZINC000472375676 339371235 /nfs/dbraw/zinc/37/12/35/339371235.db2.gz UNUQRLRWXLSAHN-OAHLLOKOSA-N -1 1 318.808 3.510 20 0 DHADMM CCc1cc(=O)[n-]c(SCc2ccc(Cl)cc2OC)n1 ZINC000475885658 339464039 /nfs/dbraw/zinc/46/40/39/339464039.db2.gz YQTJXMALKFKDAB-UHFFFAOYSA-N -1 1 310.806 3.699 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1F ZINC000479511622 339538704 /nfs/dbraw/zinc/53/87/04/339538704.db2.gz PZQGYJKUZITBNH-UHFFFAOYSA-N -1 1 322.386 3.545 20 0 DHADMM CCC[C@@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C(C)C ZINC000484498670 339688167 /nfs/dbraw/zinc/68/81/67/339688167.db2.gz FGOIQKAQORNZGJ-CQSZACIVSA-N -1 1 301.390 3.793 20 0 DHADMM Cc1cn2cc(NC(=O)Nc3ccc([O-])c(Cl)c3)ccc2n1 ZINC000486963406 339740351 /nfs/dbraw/zinc/74/03/51/339740351.db2.gz GACZZNLSWZUVKC-UHFFFAOYSA-N -1 1 316.748 3.646 20 0 DHADMM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1c(F)ccc([O-])c1F ZINC000491558553 339866884 /nfs/dbraw/zinc/86/68/84/339866884.db2.gz GCWWTBKDJNEPAE-QWRGUYRKSA-N -1 1 311.372 3.957 20 0 DHADMM [O-]c1cccc(CN2CCOC[C@H]2c2ccccc2)c1Cl ZINC000508790962 340253157 /nfs/dbraw/zinc/25/31/57/340253157.db2.gz VYDQAWYMGOPKIR-HNNXBMFYSA-N -1 1 303.789 3.619 20 0 DHADMM CN(C[C@@H]1CC=CCC1)C(=O)c1cc(Br)ccc1[O-] ZINC000402762596 340263627 /nfs/dbraw/zinc/26/36/27/340263627.db2.gz KMJFMUULJWVZSI-LLVKDONJSA-N -1 1 324.218 3.583 20 0 DHADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000509088578 340260975 /nfs/dbraw/zinc/26/09/75/340260975.db2.gz DDMVPITYIZSBCL-UHFFFAOYSA-N -1 1 307.440 3.826 20 0 DHADMM CO[C@@H](C)c1nc(=NCCCCCc2ccc(F)cc2)s[n-]1 ZINC000509615240 340274748 /nfs/dbraw/zinc/27/47/48/340274748.db2.gz DQTXBUIRXWNHND-LBPRGKRZSA-N -1 1 323.437 3.631 20 0 DHADMM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cncc([O-])c2)o1 ZINC000173222928 340360675 /nfs/dbraw/zinc/36/06/75/340360675.db2.gz GYZWCLUQGGBGFV-WBMJQRKESA-N -1 1 314.385 3.556 20 0 DHADMM C[C@H](Cc1ccsc1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000314865012 340675459 /nfs/dbraw/zinc/67/54/59/340675459.db2.gz ZNOKNZJRCBGMCN-GFCCVEGCSA-N -1 1 311.406 3.968 20 0 DHADMM CCC(CC)n1nc(C)cc1C(=O)Nc1cccc(F)c1[O-] ZINC000530005155 340775797 /nfs/dbraw/zinc/77/57/97/340775797.db2.gz IMNCKGWEESTVBC-UHFFFAOYSA-N -1 1 305.353 3.650 20 0 DHADMM CN1C(=O)c2cc(Cl)ccc2N[C@H]1c1ccc([O-])c(Cl)c1 ZINC000065888055 340835929 /nfs/dbraw/zinc/83/59/29/340835929.db2.gz CHWCULWURJMNFJ-CQSZACIVSA-N -1 1 323.179 3.895 20 0 DHADMM Cc1cc(C(=O)Nc2cc(C)cc(Br)c2[O-])oc1C ZINC000538702393 340838712 /nfs/dbraw/zinc/83/87/12/340838712.db2.gz UGVMQGNKXPOMMI-UHFFFAOYSA-N -1 1 324.174 3.925 20 0 DHADMM C[C@H]1c2c(F)cccc2CCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000538761186 340849060 /nfs/dbraw/zinc/84/90/60/340849060.db2.gz OSVNZAYIBCMOAU-JTQLQIEISA-N -1 1 319.763 3.944 20 0 DHADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)Cc2cccc(C)c2)n[nH]1 ZINC000545152540 341110507 /nfs/dbraw/zinc/11/05/07/341110507.db2.gz IJTGDICJTPNOSX-CYBMUJFWSA-N -1 1 321.446 3.564 20 0 DHADMM CCOc1cc(C(=O)N2CC[C@@H](C(C)C)C2)cc(Cl)c1[O-] ZINC000545857891 341143378 /nfs/dbraw/zinc/14/33/78/341143378.db2.gz XUVLTWURTCMLLU-LLVKDONJSA-N -1 1 311.809 3.562 20 0 DHADMM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cc1 ZINC000132885585 341148277 /nfs/dbraw/zinc/14/82/77/341148277.db2.gz XOAWZOKVHNBBOC-UHFFFAOYSA-N -1 1 317.410 3.641 20 0 DHADMM CCSCC[C@@H](C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000135394156 341238492 /nfs/dbraw/zinc/23/84/92/341238492.db2.gz OJXYBCXSWUZQHK-GFCCVEGCSA-N -1 1 303.427 3.807 20 0 DHADMM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cc(F)ccc1[O-] ZINC000080029289 341268756 /nfs/dbraw/zinc/26/87/56/341268756.db2.gz PUZQTROORQSZPT-DGCLKSJQSA-N -1 1 317.335 3.689 20 0 DHADMM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2cc(F)ccc2[O-])C1 ZINC000080029365 341268767 /nfs/dbraw/zinc/26/87/67/341268767.db2.gz AICRTSXXZIALHB-ZIAGYGMSSA-N -1 1 313.372 3.858 20 0 DHADMM CCN(Cc1ccc(Cl)s1)C(=O)c1cc(F)ccc1[O-] ZINC000081935792 341310401 /nfs/dbraw/zinc/31/04/01/341310401.db2.gz XLGZLONAXHTLLV-UHFFFAOYSA-N -1 1 313.781 3.909 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H](c2ccccc2)CC1 ZINC000081958732 341311508 /nfs/dbraw/zinc/31/15/08/341311508.db2.gz ZUFJUTRAUIWBEJ-OAHLLOKOSA-N -1 1 313.372 3.941 20 0 DHADMM CCc1onc(C)c1[N-]C(=O)c1c(C)onc1-c1ccccc1 ZINC000089391429 341404056 /nfs/dbraw/zinc/40/40/56/341404056.db2.gz WDBFGJBOUFKWJJ-UHFFFAOYSA-N -1 1 311.341 3.761 20 0 DHADMM COc1ccc(-c2nc(C3(c4ccccc4)CCC3)no2)c([O-])c1 ZINC000324793547 341709494 /nfs/dbraw/zinc/70/94/94/341709494.db2.gz KTSXWDIJGFHQFQ-UHFFFAOYSA-N -1 1 322.364 3.921 20 0 DHADMM CCc1nc(SCc2cc(C(C)(C)C)on2)[n-]c(=O)c1C ZINC000574465130 341759517 /nfs/dbraw/zinc/75/95/17/341759517.db2.gz BSDNYGITJVYFBH-UHFFFAOYSA-N -1 1 307.419 3.631 20 0 DHADMM Cc1nc(-c2ccc(NC3CCC4(CC4)CC3)nc2)[n-]c(=O)c1C ZINC000577258224 341900731 /nfs/dbraw/zinc/90/07/31/341900731.db2.gz SBGUMOSFKFDJTG-UHFFFAOYSA-N -1 1 324.428 3.996 20 0 DHADMM O=C(NCc1ccc(Oc2ccccc2)cc1)c1cncc([O-])c1 ZINC000348842175 518200215 /nfs/dbraw/zinc/20/02/15/518200215.db2.gz FFRSTLIFPNBUST-UHFFFAOYSA-N -1 1 320.348 3.510 20 0 DHADMM CC[C@H](c1ccncc1)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000128421684 522964133 /nfs/dbraw/zinc/96/41/33/522964133.db2.gz UFCPQKLWRJQWQR-CQSZACIVSA-N -1 1 304.777 3.664 20 0 DHADMM CC[C@@H]1CCCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000338370076 523242516 /nfs/dbraw/zinc/24/25/16/523242516.db2.gz SLFIUVUSILJPLL-LLVKDONJSA-N -1 1 318.804 3.856 20 0 DHADMM CN(C(=O)c1ccc(Cl)cc1[O-])[C@@H]1CCCc2cccnc21 ZINC000364996634 523932299 /nfs/dbraw/zinc/93/22/99/523932299.db2.gz BDFSMRQSOATSCS-CQSZACIVSA-N -1 1 316.788 3.590 20 0 DHADMM C[C@H](c1ccco1)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180378787 526141739 /nfs/dbraw/zinc/14/17/39/526141739.db2.gz OXFKDIZFRZQEQE-SECBINFHSA-N -1 1 313.275 3.837 20 0 DHADMM Cc1noc(C)c1C[C@H](C)NC(=O)c1ccc2ccccc2c1[O-] ZINC000129778636 526535992 /nfs/dbraw/zinc/53/59/92/526535992.db2.gz PXYOXYZGVSNHSV-NSHDSACASA-N -1 1 324.380 3.511 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1c1nccs1 ZINC000364250985 526732985 /nfs/dbraw/zinc/73/29/85/526732985.db2.gz MJEIGEPFWNTWCU-HNNXBMFYSA-N -1 1 324.405 3.979 20 0 DHADMM O=C([N-]c1c(F)cccc1Oc1ccccc1)c1cnns1 ZINC000107166126 527093178 /nfs/dbraw/zinc/09/31/78/527093178.db2.gz BRCMJRWLANVHTJ-UHFFFAOYSA-N -1 1 315.329 3.722 20 0 DHADMM Cc1ccc(CN(Cc2ccc(F)cc2C(=O)[O-])C2CC2)o1 ZINC000652387637 600084959 /nfs/dbraw/zinc/08/49/59/600084959.db2.gz FRWCSUUVRDICPQ-UHFFFAOYSA-N -1 1 303.333 3.590 20 0 DHADMM COc1ccccc1[C@H](C)N[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000738121473 600314876 /nfs/dbraw/zinc/31/48/76/600314876.db2.gz SARGIVBZZNDGKI-ZBEGNZNMSA-N -1 1 319.788 3.825 20 0 DHADMM C[C@@H]1SCCN(Cc2occc2C(=O)[O-])[C@H]1c1ccccc1 ZINC000566361629 600490144 /nfs/dbraw/zinc/49/01/44/600490144.db2.gz LQNWNFUJIZQERB-BLLLJJGKSA-N -1 1 317.410 3.656 20 0 DHADMM O=C([O-])c1ccc(CNCc2ccc(-c3ccccc3)cc2)o1 ZINC000740132157 600525290 /nfs/dbraw/zinc/52/52/90/600525290.db2.gz FFDMUDWVPBOMCX-UHFFFAOYSA-N -1 1 307.349 3.935 20 0 DHADMM O=C([O-])[C@@H](NCc1ccccc1)c1ccc(Cl)cc1Cl ZINC000037952426 600730981 /nfs/dbraw/zinc/73/09/81/600730981.db2.gz IJKXBAMYEWBWQW-AWEZNQCLSA-N -1 1 310.180 3.909 20 0 DHADMM COc1ccc(C)cc1[C@@H](C)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000832251846 600734384 /nfs/dbraw/zinc/73/43/84/600734384.db2.gz DAOGXQSEEDQHFB-SJKOYZFVSA-N -1 1 317.360 3.619 20 0 DHADMM CCOc1cccc([C@@H](C)N[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000830099502 600744581 /nfs/dbraw/zinc/74/45/81/600744581.db2.gz GNIWXXNHBKJOAW-SJKOYZFVSA-N -1 1 317.360 3.701 20 0 DHADMM C[C@H](C1CC1)N(C)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000827213602 600816251 /nfs/dbraw/zinc/81/62/51/600816251.db2.gz OLLXFSNMNHYHFL-LLVKDONJSA-N -1 1 316.426 3.739 20 0 DHADMM C[C@H]1C[C@H](c2ccccc2F)N(Cc2cc(C(=O)[O-])co2)C1 ZINC000580652987 600840009 /nfs/dbraw/zinc/84/00/09/600840009.db2.gz OOAJTFHNUYIBHG-MEDUHNTESA-N -1 1 303.333 3.700 20 0 DHADMM Cc1cc([C@H](C)N[C@@H](C(=O)[O-])c2ccccc2F)ccc1F ZINC000832878513 601370116 /nfs/dbraw/zinc/37/01/16/601370116.db2.gz XUVUJYJZOIUKQJ-MEDUHNTESA-N -1 1 305.324 3.750 20 0 DHADMM CCC1CCC(NCc2nc3ccccc3s2)(C(=O)[O-])CC1 ZINC000829107888 601494271 /nfs/dbraw/zinc/49/42/71/601494271.db2.gz SFJAEXCCTXVNPZ-UHFFFAOYSA-N -1 1 318.442 3.810 20 0 DHADMM C[C@H](C(=O)[O-])[C@@H](NCc1ccc(F)cc1F)c1ccccc1 ZINC000574622767 601654281 /nfs/dbraw/zinc/65/42/81/601654281.db2.gz VFFKWCFJMFMBSC-MEDUHNTESA-N -1 1 305.324 3.516 20 0 DHADMM C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1ccsc1C(=O)[O-] ZINC000569011067 601805317 /nfs/dbraw/zinc/80/53/17/601805317.db2.gz WCWLOTVCQRIFCE-VIFPVBQESA-N -1 1 311.353 3.918 20 0 DHADMM C[C@H](c1ccc(F)c(F)c1)N(C)Cc1ccc(C(=O)[O-])s1 ZINC000581948897 601940007 /nfs/dbraw/zinc/94/00/07/601940007.db2.gz GQMVCYTYAPUPJQ-SECBINFHSA-N -1 1 311.353 3.918 20 0 DHADMM Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(C(=O)[O-])s1)CCC2 ZINC000652413343 601954545 /nfs/dbraw/zinc/95/45/45/601954545.db2.gz RLTJIVJXOHAQKD-LBPRGKRZSA-N -1 1 322.455 3.721 20 0 DHADMM O=C([O-])Nc1cc(C(=O)Nc2cccc(Cl)c2O)ccc1F ZINC000740696335 603309765 /nfs/dbraw/zinc/30/97/65/603309765.db2.gz AYKCAWGHIHLIEC-UHFFFAOYSA-N -1 1 324.695 3.527 20 0 DHADMM C[C@H](NCc1ccc(NC(=O)[O-])nc1)c1ccc(Cl)s1 ZINC000825503075 603535029 /nfs/dbraw/zinc/53/50/29/603535029.db2.gz OJIQEGTXVHOYQF-QMMMGPOBSA-N -1 1 311.794 3.737 20 0 DHADMM CC(C)Oc1ccc([C@H](C)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000316747391 604329225 /nfs/dbraw/zinc/32/92/25/604329225.db2.gz YVEMHXZWFKEFOV-LBPRGKRZSA-N -1 1 303.358 3.616 20 0 DHADMM O=C([O-])[C@H]1CCCN1Cc1ccc(-c2ccccc2Cl)o1 ZINC000263444277 604528627 /nfs/dbraw/zinc/52/86/27/604528627.db2.gz XKGGPSZYGLABOE-CQSZACIVSA-N -1 1 305.761 3.649 20 0 DHADMM O=C([O-])[C@@H]1CCCN1Cc1ccc(-c2ccccc2Cl)o1 ZINC000263444271 604528641 /nfs/dbraw/zinc/52/86/41/604528641.db2.gz XKGGPSZYGLABOE-AWEZNQCLSA-N -1 1 305.761 3.649 20 0 DHADMM CN(C/C=C/Cl)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000830722670 604671318 /nfs/dbraw/zinc/67/13/18/604671318.db2.gz HBWYTSDYUMDMNQ-XGQHYKRYSA-N -1 1 308.592 3.803 20 0 DHADMM CCc1ccc([C@H](C)NCc2ccc(CCNC(=O)[O-])cc2)o1 ZINC000827577920 604942844 /nfs/dbraw/zinc/94/28/44/604942844.db2.gz SXOVAXZINPUTBQ-ZDUSSCGKSA-N -1 1 316.401 3.503 20 0 DHADMM CCOc1ccc([C@@H](C)NCc2ccc(C(=O)[O-])cc2F)cc1 ZINC000833664571 605068230 /nfs/dbraw/zinc/06/82/30/605068230.db2.gz YAGSYIAKHJRWPM-GFCCVEGCSA-N -1 1 317.360 3.773 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CNC1(c2ccc(Cl)cc2)CC1 ZINC000833680074 605138340 /nfs/dbraw/zinc/13/83/40/605138340.db2.gz CSYAGOLSUIRQBG-UHFFFAOYSA-N -1 1 319.788 3.973 20 0 DHADMM CC(C)(NCc1ccc(C(=O)[O-])cc1F)c1ccc(F)c(F)c1 ZINC000833461175 605170510 /nfs/dbraw/zinc/17/05/10/605170510.db2.gz RCZFWTHMKLOGAL-UHFFFAOYSA-N -1 1 323.314 3.827 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN[C@H](C)c1ccc(C)c(F)c1 ZINC000833681388 605174121 /nfs/dbraw/zinc/17/41/21/605174121.db2.gz ZYTMMHHZBGNMER-LLVKDONJSA-N -1 1 305.349 3.839 20 0 DHADMM CCc1cnccc1[C@H](C)NCc1cc(C(=O)[O-])ccc1Cl ZINC000833673240 605273015 /nfs/dbraw/zinc/27/30/15/605273015.db2.gz HIDBVHKHXRHPRV-NSHDSACASA-N -1 1 318.804 3.846 20 0 DHADMM CC(C)(C)SCCN[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833446999 605358163 /nfs/dbraw/zinc/35/81/63/605358163.db2.gz LGAVFBVADRPQSL-GFCCVEGCSA-N -1 1 319.829 3.726 20 0 DHADMM O=C([O-])Nc1ccc2c(c1)CC[C@H]2NCc1ccccc1F ZINC000834263125 605565754 /nfs/dbraw/zinc/56/57/54/605565754.db2.gz QMZBTYHUXKRBLG-MRXNPFEDSA-N -1 1 300.333 3.693 20 0 DHADMM O=C([O-])Nc1ccc(F)c(NC(=O)c2c(O)cccc2Cl)c1 ZINC000834261721 605647904 /nfs/dbraw/zinc/64/79/04/605647904.db2.gz NNGGBMVONHTOTD-UHFFFAOYSA-N -1 1 324.695 3.527 20 0 DHADMM Cc1ccc(Sc2snc(Cl)c2-c2nnn[n-]2)c(C)c1 ZINC000826293172 608170739 /nfs/dbraw/zinc/17/07/39/608170739.db2.gz DKQPHFHOWFQNHL-UHFFFAOYSA-N -1 1 323.834 3.745 20 0 DHADMM Cc1ccc(Sc2snc(Cl)c2-c2nn[n-]n2)c(C)c1 ZINC000826293172 608170741 /nfs/dbraw/zinc/17/07/41/608170741.db2.gz DKQPHFHOWFQNHL-UHFFFAOYSA-N -1 1 323.834 3.745 20 0 DHADMM O=C([O-])c1ccc(CN[C@H]2CCCOc3c(F)cccc32)cc1 ZINC000263404035 950443039 /nfs/dbraw/zinc/44/30/39/950443039.db2.gz JCTKWESBAWJJTL-INIZCTEOSA-N -1 1 315.344 3.527 20 0 DHADMM O=C([O-])CCCSc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC001595053060 951479017 /nfs/dbraw/zinc/47/90/17/951479017.db2.gz VOMIGYDYFYLHQM-UHFFFAOYSA-N -1 1 304.293 3.539 20 0 DHADMM C[C@@](NCc1cc(F)ccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001589129170 956186518 /nfs/dbraw/zinc/18/65/18/956186518.db2.gz QCTWQVFVWMWUAV-INIZCTEOSA-N -1 1 307.752 3.569 20 0 DHADMM O=C([O-])C[C@@H]1CCCCN1Cc1csc(-c2ccsc2)n1 ZINC000038027791 957349318 /nfs/dbraw/zinc/34/93/18/957349318.db2.gz LVTKVXNVXUHFLL-ZDUSSCGKSA-N -1 1 322.455 3.701 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CSc1nc2ccc(C)cc2[nH]1 ZINC000061439641 957580641 /nfs/dbraw/zinc/58/06/41/957580641.db2.gz OIELNTXIVGJHNC-UHFFFAOYSA-N -1 1 302.355 3.763 20 0 DHADMM O=C(c1cncc([O-])c1)N1CCC[C@@H]1CCC1CCCCC1 ZINC000339957394 1013167596 /nfs/dbraw/zinc/16/75/96/1013167596.db2.gz NJBGWYQEXRCDSC-MRXNPFEDSA-N -1 1 302.418 3.752 20 0 DHADMM Cc1nc([C@H](C)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c(C)s1 ZINC001594449825 959357889 /nfs/dbraw/zinc/35/78/89/959357889.db2.gz OBWQQSOVZCWHOL-LNHVQRHZSA-N -1 1 316.426 3.724 20 0 DHADMM CC(C)CCN(C)Cc1ccc(C(=O)[O-])cc1Br ZINC000226721796 959897416 /nfs/dbraw/zinc/89/74/16/959897416.db2.gz FDCIWMPZOOITIW-UHFFFAOYSA-N -1 1 314.223 3.625 20 0 DHADMM COc1ccc([C@@H](C)[N@@H+](C)Cc2cc(C(=O)[O-])ccc2F)cc1 ZINC001231457896 960607727 /nfs/dbraw/zinc/60/77/27/960607727.db2.gz BAGQLTVDPDLSEM-GFCCVEGCSA-N -1 1 317.360 3.726 20 0 DHADMM COc1ccc([C@@H](C)N(C)Cc2cc(C(=O)[O-])ccc2F)cc1 ZINC001231457896 960607737 /nfs/dbraw/zinc/60/77/37/960607737.db2.gz BAGQLTVDPDLSEM-GFCCVEGCSA-N -1 1 317.360 3.726 20 0 DHADMM O=C([O-])c1ccc(F)c(CN2CCC[C@H]2c2cccs2)c1 ZINC001231457662 960609281 /nfs/dbraw/zinc/60/92/81/960609281.db2.gz MHFANCFOYZWYLF-AWEZNQCLSA-N -1 1 305.374 3.923 20 0 DHADMM Cc1ccc(Cl)c2ccc(NC(=O)c3cncc([O-])c3)nc12 ZINC000340003249 1013196622 /nfs/dbraw/zinc/19/66/22/1013196622.db2.gz NKMLGLPUENRSPP-UHFFFAOYSA-N -1 1 313.744 3.550 20 0 DHADMM C[C@@H]1CCc2[n-]n(Cc3ccc(Br)cc3)c(=O)c2C1 ZINC000634616763 1013273535 /nfs/dbraw/zinc/27/35/35/1013273535.db2.gz WGIQOTQURQABJV-ZWNOBZJWSA-N -1 1 321.218 3.584 20 0 DHADMM C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263411618 962578566 /nfs/dbraw/zinc/57/85/66/962578566.db2.gz LOWIWAGNLIESMG-ZWNOBZJWSA-N -1 1 301.308 3.548 20 0 DHADMM C[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000652366592 1013380824 /nfs/dbraw/zinc/38/08/24/1013380824.db2.gz BZKGGAWNOGWHIV-ZANVPECISA-N -1 1 302.201 3.851 20 0 DHADMM O=c1oc2cc([O-])ccc2cc1Nc1cnccc1C(F)(F)F ZINC001210093160 1013535407 /nfs/dbraw/zinc/53/54/07/1013535407.db2.gz LATCYPMCSACFKB-UHFFFAOYSA-N -1 1 322.242 3.656 20 0 DHADMM [O-]c1ccc(-c2noc(CNc3ccccc3Cl)n2)c(F)c1 ZINC000683591824 1013695948 /nfs/dbraw/zinc/69/59/48/1013695948.db2.gz BWFNVKJQNJMYEI-UHFFFAOYSA-N -1 1 319.723 3.847 20 0 DHADMM CC(C)c1cccc(NC(=O)c2ccc3cccnc3c2[O-])n1 ZINC001149315074 1013770462 /nfs/dbraw/zinc/77/04/62/1013770462.db2.gz TWSWVBXKZNAOJY-UHFFFAOYSA-N -1 1 307.353 3.711 20 0 DHADMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1nc(C)c(C)s1 ZINC000683631308 1013790242 /nfs/dbraw/zinc/79/02/42/1013790242.db2.gz USUXUWWYQROIDS-UHFFFAOYSA-N -1 1 313.382 3.976 20 0 DHADMM CC(C)CCOc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000064374054 1013791579 /nfs/dbraw/zinc/79/15/79/1013791579.db2.gz XNIDCVDWTJMUOE-UHFFFAOYSA-N -1 1 319.426 3.912 20 0 DHADMM COc1ccc(NC2=CCCCCCC2)c(S(=O)(=O)[O-])c1 ZINC001210449541 1013858491 /nfs/dbraw/zinc/85/84/91/1013858491.db2.gz KTZCGVSFRPKAPV-UHFFFAOYSA-N -1 1 311.403 3.592 20 0 DHADMM CCOc1ccc(-c2nc3cccc(F)c3c(=O)[n-]2)cc1F ZINC000683729082 1013918259 /nfs/dbraw/zinc/91/82/59/1013918259.db2.gz VVOQJIHHHJZBIT-UHFFFAOYSA-N -1 1 302.280 3.679 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CNCc1ccc(C(F)(F)F)cc1 ZINC000318025602 970404267 /nfs/dbraw/zinc/40/42/67/970404267.db2.gz LGGLTNSVSOIWGW-UHFFFAOYSA-N -1 1 313.275 3.595 20 0 DHADMM O=C([O-])CN(Cc1ccc(-c2c(F)cccc2F)o1)C1CCC1 ZINC000656100384 1013995102 /nfs/dbraw/zinc/99/51/02/1013995102.db2.gz KWIXAXQPWRXTCM-UHFFFAOYSA-N -1 1 321.323 3.664 20 0 DHADMM C[C@@H](c1ccc(F)c(F)c1)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000320901268 970727864 /nfs/dbraw/zinc/72/78/64/970727864.db2.gz FYTWLOQOLRPLGS-NHYWBVRUSA-N -1 1 317.335 3.710 20 0 DHADMM CC(C)c1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)cc1 ZINC000317354500 1014057685 /nfs/dbraw/zinc/05/76/85/1014057685.db2.gz BBDGIIUQFOESPV-UHFFFAOYSA-N -1 1 321.446 3.631 20 0 DHADMM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc([O-])c(F)c3)C2)cc1 ZINC000683891144 1014095078 /nfs/dbraw/zinc/09/50/78/1014095078.db2.gz YVXLVZIWOXCUPU-CJNGLKHVSA-N -1 1 313.372 3.858 20 0 DHADMM CCc1noc(C)c1[C@H](C)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001603994225 974499139 /nfs/dbraw/zinc/49/91/39/974499139.db2.gz YXORPINBIAAKIM-JJMVLAAESA-N -1 1 314.385 3.509 20 0 DHADMM CC1(C)CN(Cc2csc(C(=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000565956168 974592575 /nfs/dbraw/zinc/59/25/75/974592575.db2.gz CWPGYUNWBAILFT-NSHDSACASA-N -1 1 321.364 3.857 20 0 DHADMM O=C([O-])c1coc(CN2CCC(c3cccc(F)c3F)CC2)c1 ZINC000573928196 974774149 /nfs/dbraw/zinc/77/41/49/974774149.db2.gz XBOVGXVBJQQSFF-UHFFFAOYSA-N -1 1 321.323 3.636 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CN1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000576710546 974820750 /nfs/dbraw/zinc/82/07/50/974820750.db2.gz MBZWBQQWNXZBBU-BXUZGUMPSA-N -1 1 303.358 3.852 20 0 DHADMM Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1csc(C(=O)[O-])c1)CCC2 ZINC000578634709 974859304 /nfs/dbraw/zinc/85/93/04/974859304.db2.gz GMANTHVBUKJMER-GFCCVEGCSA-N -1 1 322.455 3.721 20 0 DHADMM Cc1nc2c(s1)[C@H](N(C)Cc1csc(C(=O)[O-])c1)CCC2 ZINC000578634709 974859314 /nfs/dbraw/zinc/85/93/14/974859314.db2.gz GMANTHVBUKJMER-GFCCVEGCSA-N -1 1 322.455 3.721 20 0 DHADMM CCN(Cc1ccc(C(=O)[O-])cn1)[C@@H](C)c1ccc(F)cc1 ZINC000580652186 974898019 /nfs/dbraw/zinc/89/80/19/974898019.db2.gz CPDLKHPPPPHIPJ-LBPRGKRZSA-N -1 1 302.349 3.502 20 0 DHADMM CN(Cc1ccc(C(=O)[O-])o1)Cc1ccc(C(F)(F)F)cc1 ZINC000652374369 975515760 /nfs/dbraw/zinc/51/57/60/975515760.db2.gz PBBHHGDQYYDEHH-UHFFFAOYSA-N -1 1 313.275 3.629 20 0 DHADMM C[C@H]1CN(Cc2csc(C3CCCCC3)n2)CC[C@H]1C(=O)[O-] ZINC000652497123 975559498 /nfs/dbraw/zinc/55/94/98/975559498.db2.gz LVXKMYUMLBACPA-SWLSCSKDSA-N -1 1 322.474 3.733 20 0 DHADMM Cc1sc(C(=O)[O-])cc1CN1C[C@@H](C)OC2(CCCCC2)C1 ZINC000656191988 975645431 /nfs/dbraw/zinc/64/54/31/975645431.db2.gz IEVUKQABEQPLLQ-GFCCVEGCSA-N -1 1 323.458 3.678 20 0 DHADMM O=C([O-])[C@@H](NC/C=C\c1ccc(F)cc1)c1cc(F)ccc1F ZINC000683174686 976079566 /nfs/dbraw/zinc/07/95/66/976079566.db2.gz WPNJJVGXYFRSSF-AIMAZDRCSA-N -1 1 321.298 3.533 20 0 DHADMM O=C([N-]c1cc(Cl)cc(F)c1F)c1ncc(F)cc1F ZINC000441578553 1014346727 /nfs/dbraw/zinc/34/67/27/1014346727.db2.gz BQPQWPDVWRQLFN-UHFFFAOYSA-N -1 1 304.630 3.544 20 0 DHADMM C=COc1ccc(NC(=O)Cc2ccc([O-])c(Cl)c2)cc1 ZINC001161310546 1014367702 /nfs/dbraw/zinc/36/77/02/1014367702.db2.gz QTDBQUJWXXISAV-UHFFFAOYSA-N -1 1 303.745 3.749 20 0 DHADMM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000055652265 1014384137 /nfs/dbraw/zinc/38/41/37/1014384137.db2.gz MGBDDRBSWBJSLT-UHFFFAOYSA-N -1 1 323.389 3.722 20 0 DHADMM C[C@@H](CC(C)(C)CC(=O)[O-])Nc1ccc(CN(C)C)c(F)c1 ZINC001592444745 978105080 /nfs/dbraw/zinc/10/50/80/978105080.db2.gz DKVQCGQDFVDDBF-LBPRGKRZSA-N -1 1 310.413 3.579 20 0 DHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3ccccn3)cc2)c1 ZINC000581114128 1014566749 /nfs/dbraw/zinc/56/67/49/1014566749.db2.gz XXZXKVUEACQDPS-UHFFFAOYSA-N -1 1 324.405 3.858 20 0 DHADMM CC(F)(F)c1ccc(CNCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001592945169 980025165 /nfs/dbraw/zinc/02/51/65/980025165.db2.gz VUWOJQQDDPNWQW-UHFFFAOYSA-N -1 1 323.314 3.925 20 0 DHADMM C[C@]1(C(F)(F)F)CCN(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000872166252 980061812 /nfs/dbraw/zinc/06/18/12/980061812.db2.gz FMEGDSGYQTZGOI-ZDUSSCGKSA-N -1 1 321.726 3.813 20 0 DHADMM O=C([O-])CCC1CCN(Cc2ccsc2C(F)(F)F)CC1 ZINC000901502993 980323162 /nfs/dbraw/zinc/32/31/62/980323162.db2.gz ZHTZUMQRGYCQAU-UHFFFAOYSA-N -1 1 321.364 3.844 20 0 DHADMM CC[C@H](NCc1cc(C(=O)[O-])c(C)n1C)c1cc(F)ccc1F ZINC001595298227 980414348 /nfs/dbraw/zinc/41/43/48/980414348.db2.gz DEHYMXCKRZQMJE-INIZCTEOSA-N -1 1 322.355 3.551 20 0 DHADMM CC[C@@H](NCc1cc(C)c(C(=O)[O-])[nH]1)c1ccc(F)cc1F ZINC001595298749 980420462 /nfs/dbraw/zinc/42/04/62/980420462.db2.gz BAUYPOCIIYMRLC-CQSZACIVSA-N -1 1 308.328 3.540 20 0 DHADMM CC[C@H](NCc1cc(F)cnc1Cl)c1ccc(C(=O)[O-])cc1 ZINC001595299284 980426029 /nfs/dbraw/zinc/42/60/29/980426029.db2.gz OICVVDOLLSYLBE-AWEZNQCLSA-N -1 1 322.767 3.813 20 0 DHADMM CC[C@](NCc1cc(O)ccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595299341 980426628 /nfs/dbraw/zinc/42/66/28/980426628.db2.gz QBPUWJFYMYBDKD-QGZVFWFLSA-N -1 1 319.788 3.525 20 0 DHADMM Cc1oc(CN[C@@H](C)c2cccc(OC(C)C)c2)cc1C(=O)[O-] ZINC000902119708 980744161 /nfs/dbraw/zinc/74/41/61/980744161.db2.gz QGLNMNAACMPGRO-LBPRGKRZSA-N -1 1 317.385 3.924 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CN[C@H]1CCSc2c(F)cccc21 ZINC000902132125 980750785 /nfs/dbraw/zinc/75/07/85/980750785.db2.gz SKLWOZUTTKLFFD-ZDUSSCGKSA-N -1 1 321.373 3.752 20 0 DHADMM Cc1cc(CN[C@H]2CCc3c2cccc3Cl)oc1C(=O)[O-] ZINC000902177318 980770629 /nfs/dbraw/zinc/77/06/29/980770629.db2.gz YFKROYPDIYLOLD-AWEZNQCLSA-N -1 1 305.761 3.717 20 0 DHADMM Cc1[nH]c2c(cc(C)cc2CNCc2cc(C(=O)[O-])co2)c1C ZINC000902186257 980774564 /nfs/dbraw/zinc/77/45/64/980774564.db2.gz YTSAFAGCFKDXPB-UHFFFAOYSA-N -1 1 312.369 3.674 20 0 DHADMM O=C([O-])c1ccc(CN[C@@H]2CCCc3ccc(Cl)cc32)o1 ZINC000902260202 980804380 /nfs/dbraw/zinc/80/43/80/980804380.db2.gz AIGFPMRHJRIOGP-CQSZACIVSA-N -1 1 305.761 3.798 20 0 DHADMM O=C([O-])c1coc(CN[C@H]2CCCc3ccc(Cl)cc32)c1 ZINC000902261342 980805187 /nfs/dbraw/zinc/80/51/87/980805187.db2.gz ICYVACADGXDFJH-HNNXBMFYSA-N -1 1 305.761 3.798 20 0 DHADMM O=C([O-])c1cc(CNCc2ccccc2OC2CCC2)cs1 ZINC000902287833 980818967 /nfs/dbraw/zinc/81/89/67/980818967.db2.gz PTBVTLUKPAKBKF-UHFFFAOYSA-N -1 1 317.410 3.667 20 0 DHADMM O=C([O-])c1ccc(CN2CCC3(CCC3)C2)cc1Br ZINC000902401342 980871361 /nfs/dbraw/zinc/87/13/61/980871361.db2.gz NNXCZUVYYNXTMV-UHFFFAOYSA-N -1 1 324.218 3.523 20 0 DHADMM CCc1oc(CN2CC[C@@H](C(F)(F)F)C2(C)C)cc1C(=O)[O-] ZINC000902530271 980923456 /nfs/dbraw/zinc/92/34/56/980923456.db2.gz JIDOPAILYSCINX-GFCCVEGCSA-N -1 1 319.323 3.703 20 0 DHADMM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1CCC[C@H](CF)C1 ZINC000903608076 980989452 /nfs/dbraw/zinc/98/94/52/980989452.db2.gz RKKPVAZPVTYHFB-RNCFNFMXSA-N -1 1 320.191 3.801 20 0 DHADMM CC(C)[C@@H](NCc1ccc(C(=O)[O-])cn1)c1ccccc1Cl ZINC000905724541 981123835 /nfs/dbraw/zinc/12/38/35/981123835.db2.gz LWQAEEGZHULSRR-MRXNPFEDSA-N -1 1 318.804 3.920 20 0 DHADMM Cc1cccnc1[C@@H](NCc1ccoc1C(=O)[O-])C(C)(C)C ZINC000905800190 981157505 /nfs/dbraw/zinc/15/75/05/981157505.db2.gz VGVBBNNGFQOSOV-OAHLLOKOSA-N -1 1 302.374 3.558 20 0 DHADMM CCC[C@H](CC(C)C)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001595586179 981529841 /nfs/dbraw/zinc/52/98/41/981529841.db2.gz RBJFQLMQZXDLEZ-LLVKDONJSA-N -1 1 317.389 3.662 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2ccc3ccoc3c2)ccc1F ZINC000442848960 1014744564 /nfs/dbraw/zinc/74/45/64/1014744564.db2.gz NIONSUCZIKHLSW-UHFFFAOYSA-N -1 1 305.330 3.681 20 0 DHADMM COc1cc(C(=O)N[C@@H](C)CCC(C)(C)C)cc(Cl)c1[O-] ZINC000442965000 1014781985 /nfs/dbraw/zinc/78/19/85/1014781985.db2.gz JBBBOKUHPHHEQX-JTQLQIEISA-N -1 1 313.825 3.999 20 0 DHADMM COc1cc(C(=O)N2CC[C@@H](C)C[C@H](C)C2)cc(Cl)c1[O-] ZINC000443061805 1014797907 /nfs/dbraw/zinc/79/79/07/1014797907.db2.gz KEWFGYAUUUFTIK-MNOVXSKESA-N -1 1 311.809 3.562 20 0 DHADMM Cc1ccc(C[C@H](C)NC(=O)Cc2ccc([O-])c(Cl)c2)s1 ZINC000631409635 1014875008 /nfs/dbraw/zinc/87/50/08/1014875008.db2.gz PTDOMXJCJKTVNZ-JTQLQIEISA-N -1 1 323.845 3.705 20 0 DHADMM Cc1nc(CN2CCC[C@@H](CCC(=O)[O-])C2)sc1C(C)(C)C ZINC000923246589 982853023 /nfs/dbraw/zinc/85/30/23/982853023.db2.gz VTMBVYQPQOUCRH-ZDUSSCGKSA-N -1 1 324.490 3.826 20 0 DHADMM Cc1nc(SCc2cc(Cl)ccn2)[n-]c(=O)c1C1CC1 ZINC000631022904 1014908266 /nfs/dbraw/zinc/90/82/66/1014908266.db2.gz CXYINKIJIPLSTG-UHFFFAOYSA-N -1 1 307.806 3.709 20 0 DHADMM O=C(CSc1ccc2c(c1)OCCCO2)c1ccc([O-])cc1 ZINC000316981577 1014949280 /nfs/dbraw/zinc/94/92/80/1014949280.db2.gz JXGZKPSWPKRZQX-UHFFFAOYSA-N -1 1 316.378 3.529 20 0 DHADMM CC[N@@H+](CCSC)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001596347156 983797025 /nfs/dbraw/zinc/79/70/25/983797025.db2.gz FJIHFEOTYPNQOE-LBPRGKRZSA-N -1 1 322.257 3.804 20 0 DHADMM CCN(Cc1cc(C(=O)[O-])c(C)n1C)Cc1ccc(Cl)cc1 ZINC001596359579 983835001 /nfs/dbraw/zinc/83/50/01/983835001.db2.gz KPSLJRLSGOOCBQ-UHFFFAOYSA-N -1 1 320.820 3.707 20 0 DHADMM CC[C@@H]1c2ccsc2CCN1C(=O)c1cc(F)ccc1[O-] ZINC000093962573 1014993610 /nfs/dbraw/zinc/99/36/10/1014993610.db2.gz LHABFMFVSITRHR-CYBMUJFWSA-N -1 1 305.374 3.742 20 0 DHADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@H]1C1CCC1 ZINC000094105861 1015020328 /nfs/dbraw/zinc/02/03/28/1015020328.db2.gz PALPKKHRIUGSTI-ZDUSSCGKSA-N -1 1 324.218 3.559 20 0 DHADMM Cc1[nH]c(SCC2(CC(=O)[O-])CC2)nc1Cc1ccccc1 ZINC001599965540 985897386 /nfs/dbraw/zinc/89/73/86/985897386.db2.gz DJMXOPXHTMGJOW-UHFFFAOYSA-N -1 1 316.426 3.656 20 0 DHADMM Cc1[nH]c(SCC(C)(C)C(=O)[O-])nc1Cc1ccccc1 ZINC001599966343 985912315 /nfs/dbraw/zinc/91/23/15/985912315.db2.gz VNJSLFGIGGKMRU-UHFFFAOYSA-N -1 1 304.415 3.512 20 0 DHADMM Cc1cccc2[nH]cc(CC(=O)Nc3cc([O-])c(F)cc3F)c21 ZINC001141833945 1015267549 /nfs/dbraw/zinc/26/75/49/1015267549.db2.gz PVGHYBAILMWPTL-UHFFFAOYSA-N -1 1 316.307 3.641 20 0 DHADMM CCS[C@H]1CCCCN([C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001597258920 987274678 /nfs/dbraw/zinc/27/46/78/987274678.db2.gz ZFKNMGZOAYOIGR-QWRGUYRKSA-N -1 1 314.476 3.510 20 0 DHADMM CC[C@H](NCc1cc(C)c(C(=O)[O-])o1)c1ccc(C)c(F)c1 ZINC001597349473 987485739 /nfs/dbraw/zinc/48/57/39/987485739.db2.gz KRZZZAPHQFBETM-HNNXBMFYSA-N -1 1 305.349 3.975 20 0 DHADMM CC[C@H](NCc1ccc(/C=C\C(=O)[O-])o1)c1ccc(F)cc1 ZINC001597349435 987485894 /nfs/dbraw/zinc/48/58/94/987485894.db2.gz IUYUKRZJJSPAGQ-YDZSZYSISA-N -1 1 303.333 3.757 20 0 DHADMM CC(C)(C)[C@H](NCc1cc(-c2ccc(Cl)cc2)no1)C(=O)[O-] ZINC001589717197 987864701 /nfs/dbraw/zinc/86/47/01/987864701.db2.gz NGDNNTFTQBLMDZ-CQSZACIVSA-N -1 1 322.792 3.584 20 0 DHADMM CC(C)(C)[C@H](NCc1occc1C(=O)[O-])c1ccc(F)cc1 ZINC001589720766 987883954 /nfs/dbraw/zinc/88/39/54/987883954.db2.gz QNCMTTQHTVWZAI-OAHLLOKOSA-N -1 1 305.349 3.994 20 0 DHADMM CC(C)(C)[C@H](Sc1nc(C=Cc2ccccc2)n[nH]1)C(=O)[O-] ZINC001589722414 987890081 /nfs/dbraw/zinc/89/00/81/987890081.db2.gz GBDNPLSSLBNLCD-ASCRHOAZSA-N -1 1 317.414 3.567 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)cc1 ZINC000474431729 1015353935 /nfs/dbraw/zinc/35/39/35/1015353935.db2.gz KLATWIGVDFXGLL-UHFFFAOYSA-N -1 1 319.430 3.567 20 0 DHADMM CSc1ccc([C@@H](C)NCc2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC001599820827 988511078 /nfs/dbraw/zinc/51/10/78/988511078.db2.gz ANLLQGPAXOYRNT-OFFHKIPUSA-N -1 1 317.410 3.950 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CNC(C)(C)c1ccccc1F ZINC001597767123 989215733 /nfs/dbraw/zinc/21/57/33/989215733.db2.gz AOYOPDIRSHDKDA-UHFFFAOYSA-N -1 1 305.349 3.704 20 0 DHADMM CCc1oc(CN2CC([C@H]3CCC[C@@H](C)C3)C2)cc1C(=O)[O-] ZINC001597795454 989345004 /nfs/dbraw/zinc/34/50/04/989345004.db2.gz AYWNCHDRQBEPJS-OLZOCXBDSA-N -1 1 305.418 3.798 20 0 DHADMM CCc1oc(CN2C[C@@H](C)C[C@@H]2c2cccnc2)cc1C(=O)[O-] ZINC001597797377 989361624 /nfs/dbraw/zinc/36/16/24/989361624.db2.gz ZYJMZUIIDSFEFQ-BLLLJJGKSA-N -1 1 314.385 3.518 20 0 DHADMM CC(C)(NCc1ccc(C(=O)[O-])c(F)c1)c1ccc(F)cc1F ZINC001590870352 990771296 /nfs/dbraw/zinc/77/12/96/990771296.db2.gz BWIZEYDHSKMUSJ-UHFFFAOYSA-N -1 1 323.314 3.827 20 0 DHADMM CC(C)(NCc1oncc1C(=O)[O-])c1ccc2ccccc2c1 ZINC001590874916 990786503 /nfs/dbraw/zinc/78/65/03/990786503.db2.gz OUTYOAOLFHCITB-UHFFFAOYSA-N -1 1 310.353 3.551 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000840540259 1015592598 /nfs/dbraw/zinc/59/25/98/1015592598.db2.gz RUIPCNAGWPDSDP-QWHCGFSZSA-N -1 1 319.449 3.559 20 0 DHADMM CC(C)[C@@H]1N([C@H](C)c2ncc(C(=O)[O-])s2)CC12CCCC2 ZINC001591100326 991722668 /nfs/dbraw/zinc/72/26/68/991722668.db2.gz VWNBURIMPSFADB-YPMHNXCESA-N -1 1 308.447 3.803 20 0 DHADMM CN(Cc1nc(C(=O)[O-])cs1)C1CCC(C(C)(C)C)CC1 ZINC001598536724 992848502 /nfs/dbraw/zinc/84/85/02/992848502.db2.gz LFKHFMOWCZMRMW-UHFFFAOYSA-N -1 1 310.463 3.878 20 0 DHADMM Cc1c(=O)[n-]c(S[C@H](C)C(=O)C2CC2)nc1-c1ccccc1 ZINC000280959638 1015813907 /nfs/dbraw/zinc/81/39/07/1015813907.db2.gz JXTAFIQJCVDEIO-LLVKDONJSA-N -1 1 314.410 3.617 20 0 DHADMM C[C@@H](N[C@H](CCC(=O)[O-])c1ccccc1)c1cccc(O)c1F ZINC001593205192 994211437 /nfs/dbraw/zinc/21/14/37/994211437.db2.gz YQMGMGZYYKTGCO-IUODEOHRSA-N -1 1 317.360 3.788 20 0 DHADMM C[C@H](NCc1ccc2c(n1)CCCC2)c1cc(C(=O)[O-])cs1 ZINC001593304496 994748296 /nfs/dbraw/zinc/74/82/96/994748296.db2.gz MTAREIZOUAZEKA-NSHDSACASA-N -1 1 316.426 3.571 20 0 DHADMM C[C@H](NCc1ccsc1C(=O)[O-])c1cc(F)ccc1N(C)C ZINC001593311706 994787354 /nfs/dbraw/zinc/78/73/54/994787354.db2.gz SUZQWDXZZFOLNC-JTQLQIEISA-N -1 1 322.405 3.502 20 0 DHADMM Cc1sccc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000634795684 1015934847 /nfs/dbraw/zinc/93/48/47/1015934847.db2.gz JFXUJKWLYFXOCF-UHFFFAOYSA-N -1 1 311.428 3.645 20 0 DHADMM C[C@H](c1cccs1)N(C)Cc1[nH]cc(C(=O)[O-])c1C1CC1 ZINC001593723113 996254552 /nfs/dbraw/zinc/25/45/52/996254552.db2.gz JCUVLHDMLWDBCQ-SNVBAGLBSA-N -1 1 304.415 3.845 20 0 DHADMM COc1cc(C)cc(CN[C@@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001599392266 997059653 /nfs/dbraw/zinc/05/96/53/997059653.db2.gz KQHYDYWEDMVXCR-MRXNPFEDSA-N -1 1 319.788 3.573 20 0 DHADMM Brc1ncc([N-]c2ncc3ccccc3n2)s1 ZINC001216265827 1016090190 /nfs/dbraw/zinc/09/01/90/1016090190.db2.gz ZRYYBTREKKJMQX-UHFFFAOYSA-N -1 1 307.176 3.592 20 0 DHADMM CC[C@@H](OCCSc1ncc(C)c(=O)[n-]1)c1ccccc1 ZINC000657261843 1016128038 /nfs/dbraw/zinc/12/80/38/1016128038.db2.gz IAGXMTGJDTUMGY-CQSZACIVSA-N -1 1 304.415 3.751 20 0 DHADMM CC(=O)c1c(C)cc(C)c(CSc2ncc(C)c(=O)[n-]2)c1C ZINC000657261262 1016132470 /nfs/dbraw/zinc/13/24/70/1016132470.db2.gz BWENODJQOOCCJJ-UHFFFAOYSA-N -1 1 316.426 3.911 20 0 DHADMM C[C@H]1C[C@@H](C(F)(F)F)CCN1Cc1csc(C(=O)[O-])c1 ZINC001594213954 998824668 /nfs/dbraw/zinc/82/46/68/998824668.db2.gz HCKLGANNXZONPY-WPRPVWTQSA-N -1 1 307.337 3.609 20 0 DHADMM C[C@@H]1C[C@H](NCc2ccc(Cl)c(C(=O)[O-])n2)c2ccccc21 ZINC001594261608 999010773 /nfs/dbraw/zinc/01/07/73/999010773.db2.gz OCSMXQHQGUBDCQ-BMIGLBTASA-N -1 1 316.788 3.771 20 0 DHADMM Cc1nc(CNCc2ccc(C(C)(C)C)s2)ccc1C(=O)[O-] ZINC000277450528 1016329536 /nfs/dbraw/zinc/32/95/36/1016329536.db2.gz UZXNOBTWJZZGIF-UHFFFAOYSA-N -1 1 318.442 3.737 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@H](CC(F)(F)F)C1 ZINC000277465733 1016345702 /nfs/dbraw/zinc/34/57/02/1016345702.db2.gz PMYHFJAAGIUYLK-LLVKDONJSA-N -1 1 323.314 3.960 20 0 DHADMM Cc1cccc([C@@H]2CCCCN2C(=O)c2cncc([O-])c2)c1C ZINC000346396589 1016386457 /nfs/dbraw/zinc/38/64/57/1016386457.db2.gz WLVPLGXONMPMHG-SFHVURJKSA-N -1 1 310.397 3.771 20 0 DHADMM O=C(Nc1cccc2c1CCO2)c1ccc(C(F)(F)F)cc1[O-] ZINC000622572359 1016474087 /nfs/dbraw/zinc/47/40/87/1016474087.db2.gz FQSOXTPGRGDEQK-UHFFFAOYSA-N -1 1 323.270 3.598 20 0 DHADMM COc1cc(NC(=O)c2c(F)ccc([O-])c2F)c(C)cc1C ZINC000622576160 1016478118 /nfs/dbraw/zinc/47/81/18/1016478118.db2.gz RIMBJAQMCPHBTI-UHFFFAOYSA-N -1 1 307.296 3.548 20 0 DHADMM O=S(=O)([N-]c1cccc(F)c1Cl)c1cc(F)ccc1F ZINC000582382997 1016654657 /nfs/dbraw/zinc/65/46/57/1016654657.db2.gz HAKDVDXZVVYHSX-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM Cc1c(=O)[n-]c(SCCc2ccncc2)nc1-c1ccccc1 ZINC000684844247 1016663225 /nfs/dbraw/zinc/66/32/25/1016663225.db2.gz NVKBQQWFRGLVNY-UHFFFAOYSA-N -1 1 323.421 3.887 20 0 DHADMM COc1cccc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)c1 ZINC000684868410 1016738959 /nfs/dbraw/zinc/73/89/59/1016738959.db2.gz AFPCRTJGBWPNIR-UHFFFAOYSA-N -1 1 311.259 3.672 20 0 DHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCc2ccccc21 ZINC000684869732 1016741696 /nfs/dbraw/zinc/74/16/96/1016741696.db2.gz XZYBZQBURCKECT-UHFFFAOYSA-N -1 1 307.271 3.614 20 0 DHADMM O=C([N-]c1nnc(C2CC2)s1)c1cc(F)c(Cl)cc1F ZINC000133548944 1017235177 /nfs/dbraw/zinc/23/51/77/1017235177.db2.gz UMEWHPJZNQTCDB-UHFFFAOYSA-N -1 1 315.732 3.599 20 0 DHADMM Cc1c(CNC(=O)c2cc(F)ccc2[O-])oc2ccc(F)cc12 ZINC001146869301 1032252698 /nfs/dbraw/zinc/25/26/98/1032252698.db2.gz QQSKBJGCIYPNOG-UHFFFAOYSA-N -1 1 317.291 3.655 20 0 DHADMM CCOc1cc(-c2noc([C@@H](CC)OC)n2)cc(Cl)c1[O-] ZINC000277756801 1017072183 /nfs/dbraw/zinc/07/21/83/1017072183.db2.gz BKDUDVHRNXFSEM-SNVBAGLBSA-N -1 1 312.753 3.592 20 0 DHADMM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2ccc([O-])cn2)cc1 ZINC001147796590 1032342530 /nfs/dbraw/zinc/34/25/30/1032342530.db2.gz UHGUUXMPWJMYEY-KSSFIOAISA-N -1 1 310.397 3.709 20 0 DHADMM CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001147860575 1032349257 /nfs/dbraw/zinc/34/92/57/1032349257.db2.gz IBNFONKALGIRSG-NXEZZACHSA-N -1 1 303.324 3.966 20 0 DHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)c1cccc(F)n1 ZINC001148252929 1032379277 /nfs/dbraw/zinc/37/92/77/1032379277.db2.gz NPOVFFOZIKKEHV-UHFFFAOYSA-N -1 1 316.719 3.985 20 0 DHADMM CC1(c2ccccc2)CN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC001148477956 1032403684 /nfs/dbraw/zinc/40/36/84/1032403684.db2.gz MRGNDDFNBTWGNN-UHFFFAOYSA-N -1 1 317.388 3.959 20 0 DHADMM O=C(/C=C/c1ccc(Cl)nc1)Nc1ccc([O-])c(Cl)c1 ZINC000121002887 1032411629 /nfs/dbraw/zinc/41/16/29/1032411629.db2.gz NLKSCTLWEWHRIS-QHHAFSJGSA-N -1 1 309.152 3.746 20 0 DHADMM O=C(Nc1cccc2c1COC2)c1ccc(C(F)(F)F)cc1[O-] ZINC001148800895 1032446435 /nfs/dbraw/zinc/44/64/35/1032446435.db2.gz LXEDMTRCYGLUCA-UHFFFAOYSA-N -1 1 323.270 3.694 20 0 DHADMM C[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)c1cccc(F)c1 ZINC000665686957 1017290294 /nfs/dbraw/zinc/29/02/94/1017290294.db2.gz PYFAHDLYKFYUSN-SECBINFHSA-N -1 1 318.373 3.562 20 0 DHADMM CN(CCCc1ccccc1)C(=O)c1cc(Cl)ccc1[O-] ZINC000060673211 1032548426 /nfs/dbraw/zinc/54/84/26/1032548426.db2.gz OXYKKMSKQGHMRK-UHFFFAOYSA-N -1 1 303.789 3.750 20 0 DHADMM O=C(c1ncc2ccccc2c1[O-])N1CCC[C@@H]1C1CCCC1 ZINC000666943016 1032574577 /nfs/dbraw/zinc/57/45/77/1032574577.db2.gz UHAFHCRWLPODQP-MRXNPFEDSA-N -1 1 310.397 3.735 20 0 DHADMM CCCCc1nc(CN2CCCC[C@H]2CCC(=O)[O-])cs1 ZINC000424257843 1011952995 /nfs/dbraw/zinc/95/29/95/1011952995.db2.gz KWGIPOHFABSTJY-AWEZNQCLSA-N -1 1 310.463 3.705 20 0 DHADMM CN1Cc2cc(NCc3cccc([O-])c3Cl)ccc2NC1=O ZINC000339365253 1011981539 /nfs/dbraw/zinc/98/15/39/1011981539.db2.gz YJCDTZQKOYJWOZ-UHFFFAOYSA-N -1 1 317.776 3.635 20 0 DHADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(C2CCCC2)cc1 ZINC000579726215 1011983345 /nfs/dbraw/zinc/98/33/45/1011983345.db2.gz VRCRGGZTIJNKJY-UHFFFAOYSA-N -1 1 324.306 3.733 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(OC2CCCC2)CC1 ZINC000122716583 1032619254 /nfs/dbraw/zinc/61/92/54/1032619254.db2.gz VBSNJYRKEDTDSU-UHFFFAOYSA-N -1 1 323.820 3.609 20 0 DHADMM CC(C)c1noc([N-][C@@H](CO)c2cccc(Cl)c2Cl)n1 ZINC000664565030 1012750562 /nfs/dbraw/zinc/75/05/62/1012750562.db2.gz KPSGLDVXJUFAOB-JTQLQIEISA-N -1 1 316.188 3.645 20 0 DHADMM CC[C@@H]1CO[C@@H](CC)CN1C(=O)c1cc2ccccc2cc1[O-] ZINC000403943891 1017220597 /nfs/dbraw/zinc/22/05/97/1017220597.db2.gz WQWULBZWOSDQCH-CVEARBPZSA-N -1 1 313.397 3.575 20 0 DHADMM CC(C)(C)[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)C(F)(F)F ZINC000631538452 1017327128 /nfs/dbraw/zinc/32/71/28/1017327128.db2.gz OKQXETLQGYETBQ-LBPRGKRZSA-N -1 1 323.742 3.681 20 0 DHADMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(F)c1 ZINC000614792043 1017462117 /nfs/dbraw/zinc/46/21/17/1017462117.db2.gz RBJXXJCEJPTFDF-UHFFFAOYSA-N -1 1 307.390 3.887 20 0 DHADMM COC[C@H](NCc1cccc([O-])c1Cl)c1cccc(OC)c1 ZINC000657613143 1017572670 /nfs/dbraw/zinc/57/26/70/1017572670.db2.gz RUYGOGOKVRQMKP-HNNXBMFYSA-N -1 1 321.804 3.532 20 0 DHADMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000171013931 1017810184 /nfs/dbraw/zinc/81/01/84/1017810184.db2.gz RZYLGABHQFQFFS-CQSZACIVSA-N -1 1 319.426 3.812 20 0 DHADMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000171013958 1017810669 /nfs/dbraw/zinc/81/06/69/1017810669.db2.gz BFMXTMCYLFQMEL-CQSZACIVSA-N -1 1 319.426 3.812 20 0 DHADMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000171013761 1017811700 /nfs/dbraw/zinc/81/17/00/1017811700.db2.gz RTKJRWOJIMTTAG-ZDUSSCGKSA-N -1 1 305.399 3.503 20 0 DHADMM CCOc1cc(-c2noc(-c3ccco3)n2)cc(Cl)c1[O-] ZINC000445423462 1017850004 /nfs/dbraw/zinc/85/00/04/1017850004.db2.gz XGPKVJRPBUIGJC-UHFFFAOYSA-N -1 1 306.705 3.754 20 0 DHADMM Cc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1O ZINC000445444141 1017861649 /nfs/dbraw/zinc/86/16/49/1017861649.db2.gz FIFKWWXZCZKVOJ-UHFFFAOYSA-N -1 1 302.717 3.777 20 0 DHADMM C[C@H]1CC(c2nc(-c3ccc([O-])cc3Cl)no2)C[C@H](C)O1 ZINC000445443177 1017861972 /nfs/dbraw/zinc/86/19/72/1017861972.db2.gz BHPQMXAVMXCIAF-IUCAKERBSA-N -1 1 308.765 3.767 20 0 DHADMM Cc1nc(Cc2nc(-c3ccc([O-])cc3Cl)no2)c(C)s1 ZINC000445442758 1017863305 /nfs/dbraw/zinc/86/33/05/1017863305.db2.gz ABZYNVIAPQWUHZ-UHFFFAOYSA-N -1 1 321.789 3.760 20 0 DHADMM [O-]c1ccc(-c2noc(COc3ccccc3F)n2)c(Cl)c1 ZINC000445447543 1017865182 /nfs/dbraw/zinc/86/51/82/1017865182.db2.gz SROZENIJDOHMJX-UHFFFAOYSA-N -1 1 320.707 3.814 20 0 DHADMM CCc1ccc(/C=C/c2nc(-c3ccc([O-])cc3F)no2)o1 ZINC000445466275 1017869759 /nfs/dbraw/zinc/86/97/59/1017869759.db2.gz YONLYMOMQIQQLU-SOFGYWHQSA-N -1 1 300.289 3.907 20 0 DHADMM [O-]c1ccc(-c2noc(-c3ccc4ncccc4c3)n2)cc1F ZINC000445476109 1017881467 /nfs/dbraw/zinc/88/14/67/1017881467.db2.gz YNFXOBXOCZVJBQ-UHFFFAOYSA-N -1 1 307.284 3.797 20 0 DHADMM Cc1ccc2c(c1)C(=O)N(C)[C@@H](c1ccc([O-])c(Cl)c1)N2 ZINC000153673671 1017956020 /nfs/dbraw/zinc/95/60/20/1017956020.db2.gz OZSZLTLVCMVZOO-HNNXBMFYSA-N -1 1 302.761 3.550 20 0 DHADMM CC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000901738341 1018005750 /nfs/dbraw/zinc/00/57/50/1018005750.db2.gz QJEMKODXHCMCJG-UHFFFAOYSA-N -1 1 319.426 3.803 20 0 DHADMM COc1cc(C(=O)N2C[C@H](C)CCC[C@@H]2C)cc(Cl)c1[O-] ZINC000153886586 1018061676 /nfs/dbraw/zinc/06/16/76/1018061676.db2.gz ZFYGEVIQTDDLJP-MNOVXSKESA-N -1 1 311.809 3.705 20 0 DHADMM Cc1ccncc1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000154042341 1018098814 /nfs/dbraw/zinc/09/88/14/1018098814.db2.gz LDRHZQPYZMEOCS-UHFFFAOYSA-N -1 1 318.442 3.733 20 0 DHADMM Cc1nc2ccccc2nc1CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000195087043 1018225493 /nfs/dbraw/zinc/22/54/93/1018225493.db2.gz ZKCBWKXCJPRQAI-UHFFFAOYSA-N -1 1 324.409 3.604 20 0 DHADMM Cc1cccc(C[N@H+](C)Cc2cccc(C(=O)[O-])c2Cl)c1 ZINC000381925165 1018287078 /nfs/dbraw/zinc/28/70/78/1018287078.db2.gz OTGDOYOLLYCJSZ-UHFFFAOYSA-N -1 1 303.789 3.979 20 0 DHADMM Cc1cccc(CN(C)Cc2cccc(C(=O)[O-])c2Cl)c1 ZINC000381925165 1018287097 /nfs/dbraw/zinc/28/70/97/1018287097.db2.gz OTGDOYOLLYCJSZ-UHFFFAOYSA-N -1 1 303.789 3.979 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC2(CC2(F)F)CC1 ZINC000404802548 1018303731 /nfs/dbraw/zinc/30/37/31/1018303731.db2.gz WAXTWIZQEOMTKZ-UHFFFAOYSA-N -1 1 317.335 3.807 20 0 DHADMM CCCc1cc(=O)[n-]c(SCc2cccc(COC)c2)n1 ZINC000446982192 1018306765 /nfs/dbraw/zinc/30/67/65/1018306765.db2.gz CEQSWQHTYMFNJK-UHFFFAOYSA-N -1 1 304.415 3.573 20 0 DHADMM CCOCCC1(c2nc(-c3ccc([O-])cc3Cl)no2)CCC1 ZINC000278263706 1018477820 /nfs/dbraw/zinc/47/78/20/1018477820.db2.gz UZZLBKKSSURGPU-UHFFFAOYSA-N -1 1 322.792 3.944 20 0 DHADMM Cc1nc(Br)ccc1Nc1c([O-])cc(F)cc1F ZINC001212565076 1018493383 /nfs/dbraw/zinc/49/33/83/1018493383.db2.gz URGBJZROOVYHJU-UHFFFAOYSA-N -1 1 315.117 3.880 20 0 DHADMM COc1cc(C(=O)Nc2cccc3cc[nH]c32)cc(Cl)c1[O-] ZINC000527194323 1018522389 /nfs/dbraw/zinc/52/23/89/1018522389.db2.gz ZUTKYOKIEFHBNA-UHFFFAOYSA-N -1 1 316.744 3.788 20 0 DHADMM O=C(CCCCCc1ccc(O)cc1)Nc1ccc(F)cc1[O-] ZINC000676055218 1018651182 /nfs/dbraw/zinc/65/11/82/1018651182.db2.gz FBOAESUYSFJCJT-UHFFFAOYSA-N -1 1 317.360 3.979 20 0 DHADMM C[C@H](OCc1ccccc1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111666100 1032778429 /nfs/dbraw/zinc/77/84/29/1032778429.db2.gz ZUQYLVVHTMLXSD-NSHDSACASA-N -1 1 305.761 3.589 20 0 DHADMM COc1c(C)cc(C(=O)Nc2ccc([O-])c(F)c2F)cc1C ZINC001140656716 1018726595 /nfs/dbraw/zinc/72/65/95/1018726595.db2.gz AGVWCWOPBFZLRV-UHFFFAOYSA-N -1 1 307.296 3.548 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3scnc3c2)cc1C ZINC000060291569 1032781772 /nfs/dbraw/zinc/78/17/72/1032781772.db2.gz GZBXKVVBMIGCAA-UHFFFAOYSA-N -1 1 318.423 3.714 20 0 DHADMM O=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccccc1[O-] ZINC000010979439 1018851442 /nfs/dbraw/zinc/85/14/42/1018851442.db2.gz SNBMEGGZMGSWGH-UHFFFAOYSA-N -1 1 311.259 3.586 20 0 DHADMM O=C(NCCc1ccccc1F)c1cc2ccccc2cc1[O-] ZINC000018123297 1018936137 /nfs/dbraw/zinc/93/61/37/1018936137.db2.gz FOSLYYFQNXLOEX-UHFFFAOYSA-N -1 1 309.340 3.657 20 0 DHADMM CC(C)Oc1cccc(CNC(=O)c2cc(Cl)ccc2[O-])c1 ZINC001626035414 1018937895 /nfs/dbraw/zinc/93/78/95/1018937895.db2.gz QORGKIJNLOVGRK-UHFFFAOYSA-N -1 1 319.788 3.763 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c(F)c1 ZINC000007428172 1019031827 /nfs/dbraw/zinc/03/18/27/1019031827.db2.gz QLRLZCQQDBENNV-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM CC[C@@H](C)c1cc(C(=O)[N-]c2cc(C3(C)CCCC3)on2)on1 ZINC000448414194 1019171307 /nfs/dbraw/zinc/17/13/07/1019171307.db2.gz MPVYPVWNCIYMFS-LLVKDONJSA-N -1 1 317.389 4.260 20 0 DHADMM [O-]c1ccc(-c2noc(C3([C@H]4CCCCO4)CCC3)n2)c(F)c1 ZINC000866974453 1019171916 /nfs/dbraw/zinc/17/19/16/1019171916.db2.gz PMIBLTCYHBOHRO-CQSZACIVSA-N -1 1 318.348 3.572 20 0 DHADMM CN(C)C(=O)c1cccc(Nc2cc(F)c([O-])c(Cl)c2)c1 ZINC001214488298 1019199618 /nfs/dbraw/zinc/19/96/18/1019199618.db2.gz AXLWFDMTHSUBQL-UHFFFAOYSA-N -1 1 308.740 3.630 20 0 DHADMM Cc1cc([C@H](C)NC(=O)c2ncc3ccccc3c2[O-])c(C)o1 ZINC001626051492 1019290890 /nfs/dbraw/zinc/29/08/90/1019290890.db2.gz OKCMGJDWNIPGIQ-NSHDSACASA-N -1 1 310.353 3.641 20 0 DHADMM C[C@@H](C[N-]S(=O)(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000084935999 1019303257 /nfs/dbraw/zinc/30/32/57/1019303257.db2.gz VJUKUOAGADKJQB-ZDUSSCGKSA-N -1 1 315.394 3.515 20 0 DHADMM C[C@@H](c1ccc(Cl)cc1Cl)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000739050512 1019363713 /nfs/dbraw/zinc/36/37/13/1019363713.db2.gz AHHJGNCZFGNKPP-UWVGGRQHSA-N -1 1 317.216 3.644 20 0 DHADMM COc1ccc2nc(-c3cc4cc(C)ccc4o3)[n-]c(=O)c2c1 ZINC000478244692 1019505731 /nfs/dbraw/zinc/50/57/31/1019505731.db2.gz UAJXQIRCAAKLQD-UHFFFAOYSA-N -1 1 306.321 3.653 20 0 DHADMM Cc1cc([C@@H](NC(=O)c2ccc([O-])c(F)c2)C2CC2)ccc1F ZINC000681059051 1019522288 /nfs/dbraw/zinc/52/22/88/1019522288.db2.gz GHQXJKUTYIOWJZ-KRWDZBQOSA-N -1 1 317.335 3.860 20 0 DHADMM CCc1cc(=O)[n-]c(SCc2ccc(C(C)(C)C)cc2)n1 ZINC000111895671 1019626179 /nfs/dbraw/zinc/62/61/79/1019626179.db2.gz HLESRWYKTUBIQC-UHFFFAOYSA-N -1 1 302.443 3.922 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)cc1 ZINC000107498449 1019627232 /nfs/dbraw/zinc/62/72/32/1019627232.db2.gz OEHMZECIHIEJBK-UHFFFAOYSA-N -1 1 318.423 3.660 20 0 DHADMM O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccc(O)cc1[O-] ZINC000171071034 1019630696 /nfs/dbraw/zinc/63/06/96/1019630696.db2.gz RSQJQNMAKJHNAO-UHFFFAOYSA-N -1 1 315.222 3.508 20 0 DHADMM CCc1cccc(S(=O)(=O)[N-]c2cccc3ncccc23)c1 ZINC000135736428 1019750738 /nfs/dbraw/zinc/75/07/38/1019750738.db2.gz HQGSVNNEECBFEP-UHFFFAOYSA-N -1 1 312.394 3.598 20 0 DHADMM [O-]c1ccc(-c2noc(-c3ncoc3-c3ccccc3)n2)c(F)c1 ZINC000685365502 1019775446 /nfs/dbraw/zinc/77/54/46/1019775446.db2.gz IJQMTEHLXKAIGZ-UHFFFAOYSA-N -1 1 323.283 3.903 20 0 DHADMM CC(C)C[C@H](C)CC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000727881665 1019836697 /nfs/dbraw/zinc/83/66/97/1019836697.db2.gz LSHITOFUXZUSLN-LBPRGKRZSA-N -1 1 318.369 3.614 20 0 DHADMM CC(C)(C)c1ncc(NC(=O)c2cc3ccccc3cc2[O-])cn1 ZINC000064823632 1019882172 /nfs/dbraw/zinc/88/21/72/1019882172.db2.gz SVNSBXKJGUBKFT-UHFFFAOYSA-N -1 1 321.380 3.885 20 0 DHADMM Fc1cccc2nc([N-][C@H](C[C@@H]3CCCO3)C(F)(F)F)oc21 ZINC000624375207 1019995328 /nfs/dbraw/zinc/99/53/28/1019995328.db2.gz JMJLMKMWWRWBAF-GZMMTYOYSA-N -1 1 318.270 3.879 20 0 DHADMM CO[C@H](C)CCC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000628233123 1020035708 /nfs/dbraw/zinc/03/57/08/1020035708.db2.gz IEGUVPMKDHTUAF-SNVBAGLBSA-N -1 1 307.777 3.952 20 0 DHADMM C[C@@H]1CCCCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000338853740 1020063772 /nfs/dbraw/zinc/06/37/72/1020063772.db2.gz ATMMOSWPCPRVIM-LLVKDONJSA-N -1 1 318.804 3.856 20 0 DHADMM CCOc1ccc(CN(C)C(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000072513182 1020074211 /nfs/dbraw/zinc/07/42/11/1020074211.db2.gz WLMSMFPBPIZLKP-UHFFFAOYSA-N -1 1 319.788 3.717 20 0 DHADMM COc1ccc(SCC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000111667532 1020148560 /nfs/dbraw/zinc/14/85/60/1020148560.db2.gz RCFZGCIMQPJTPV-UHFFFAOYSA-N -1 1 323.801 3.785 20 0 DHADMM COc1cccc(C2(C(=O)Nc3ccc([O-])c(Cl)c3)CC2)c1 ZINC000671780654 1020159681 /nfs/dbraw/zinc/15/96/81/1020159681.db2.gz XRTOJWLVCJNORV-UHFFFAOYSA-N -1 1 317.772 3.725 20 0 DHADMM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1cccc(Cl)c1Cl ZINC000235361265 1020169367 /nfs/dbraw/zinc/16/93/67/1020169367.db2.gz DYZHONDAGXPGEH-NXEZZACHSA-N -1 1 302.201 3.679 20 0 DHADMM CC(C)(C)C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC001212404492 1020344484 /nfs/dbraw/zinc/34/44/84/1020344484.db2.gz FAYYODQQGQAHQG-QWHCGFSZSA-N -1 1 307.415 3.536 20 0 DHADMM CCC(CC)n1nc(C)cc1C(=O)Nc1cc([O-])c(F)cc1F ZINC000822673522 1020349162 /nfs/dbraw/zinc/34/91/62/1020349162.db2.gz XKXFUJLPSBTHRX-UHFFFAOYSA-N -1 1 323.343 3.789 20 0 DHADMM O=c1nc(NC[C@@H]2CCC[C@H](C(F)(F)F)C2)cc(Cl)[n-]1 ZINC000858440243 1032898075 /nfs/dbraw/zinc/89/80/75/1032898075.db2.gz OGBXZLQSEOLSOB-SFYZADRCSA-N -1 1 309.719 3.616 20 0 DHADMM CC(=O)CCCC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000628232792 1020425995 /nfs/dbraw/zinc/42/59/95/1020425995.db2.gz NTZHVZAADBLFCX-UHFFFAOYSA-N -1 1 305.761 3.897 20 0 DHADMM CCO[C@@H](C(=O)Nc1cc(Cl)c([O-])c2ccccc12)C1CC1 ZINC000628233854 1020429591 /nfs/dbraw/zinc/42/95/91/1020429591.db2.gz YJLSYHYUOXICTB-MRXNPFEDSA-N -1 1 319.788 3.952 20 0 DHADMM CC(=O)c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2C)c1 ZINC000055555178 1020450772 /nfs/dbraw/zinc/45/07/72/1020450772.db2.gz YIODJHFKKRPMBV-UHFFFAOYSA-N -1 1 323.801 3.652 20 0 DHADMM CSc1ccc([N-]S(=O)(=O)/C=C/c2ccc(C)cc2)nc1 ZINC000734976269 1020682079 /nfs/dbraw/zinc/68/20/79/1020682079.db2.gz PWLOIWRISWPXBC-MDZDMXLPSA-N -1 1 320.439 3.525 20 0 DHADMM O=C(N[C@@H]1CSc2ccccc21)c1c([O-])cccc1Cl ZINC000735520774 1020743641 /nfs/dbraw/zinc/74/36/41/1020743641.db2.gz HJPULCFUIKQNMR-LLVKDONJSA-N -1 1 305.786 3.622 20 0 DHADMM O=C(NCCOC1CCCCCC1)c1c([O-])cccc1Cl ZINC000735701215 1020762832 /nfs/dbraw/zinc/76/28/32/1020762832.db2.gz BAMPFXBHIKVHPR-UHFFFAOYSA-N -1 1 311.809 3.515 20 0 DHADMM Cc1ccc([C@H](C)CNC(=O)c2c([O-])cccc2Cl)cc1 ZINC000738545998 1020875296 /nfs/dbraw/zinc/87/52/96/1020875296.db2.gz YGPYUKSWOQZMDQ-GFCCVEGCSA-N -1 1 303.789 3.888 20 0 DHADMM O=C(Nc1cccc(Oc2ccccn2)c1)c1ccccc1[O-] ZINC000173220058 1020901196 /nfs/dbraw/zinc/90/11/96/1020901196.db2.gz DXVIYKPCBNSBQZ-UHFFFAOYSA-N -1 1 306.321 3.832 20 0 DHADMM Cc1cc([N-]S(=O)(=O)c2ccccc2)c2cccnc2c1C ZINC000174022971 1020951230 /nfs/dbraw/zinc/95/12/30/1020951230.db2.gz NQCZUPAJBDSNTG-UHFFFAOYSA-N -1 1 312.394 3.652 20 0 DHADMM CCOc1cc(C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1[O-] ZINC000186790838 1021138966 /nfs/dbraw/zinc/13/89/66/1021138966.db2.gz KOIFZAJMLRNJSP-NSHDSACASA-N -1 1 319.788 3.935 20 0 DHADMM CCOc1cc(C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1[O-] ZINC000186790859 1021139773 /nfs/dbraw/zinc/13/97/73/1021139773.db2.gz KOIFZAJMLRNJSP-LLVKDONJSA-N -1 1 319.788 3.935 20 0 DHADMM COc1ccccc1/C(C)=C/C(=O)Nc1c([O-])cccc1F ZINC000743415705 1021290500 /nfs/dbraw/zinc/29/05/00/1021290500.db2.gz JOFWQPGMEDKWCJ-ZHACJKMWSA-N -1 1 301.317 3.582 20 0 DHADMM COc1cccc([C@H](C)CC(=O)Nc2c([O-])cccc2F)c1 ZINC000084631940 1021461072 /nfs/dbraw/zinc/46/10/72/1021461072.db2.gz LSCJXXVPSLEVDH-LLVKDONJSA-N -1 1 303.333 3.672 20 0 DHADMM O=S(=O)([N-]c1ccnc(Cl)c1)c1ccc2ccccc2c1 ZINC000180245444 1021500988 /nfs/dbraw/zinc/50/09/88/1021500988.db2.gz AHVKCUFDSBKAQI-UHFFFAOYSA-N -1 1 318.785 3.689 20 0 DHADMM CCCC[C@@H](CC)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744767375 1021596498 /nfs/dbraw/zinc/59/64/98/1021596498.db2.gz CPFMRUYNWWFSRW-CQSZACIVSA-N -1 1 306.402 3.897 20 0 DHADMM C[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C[C@@H](C)S1 ZINC000070387760 1021605043 /nfs/dbraw/zinc/60/50/43/1021605043.db2.gz YMPYBPVGFPWAQA-VXGBXAGGSA-N -1 1 301.411 3.511 20 0 DHADMM CC1=C(C)CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC000338929832 1021632538 /nfs/dbraw/zinc/63/25/38/1021632538.db2.gz RDDNMKFXMGMHTJ-UHFFFAOYSA-N -1 1 316.788 3.776 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H](C)c2cccs2)c1 ZINC000745068141 1021650297 /nfs/dbraw/zinc/65/02/97/1021650297.db2.gz SXAABNKTCOBPRP-NSHDSACASA-N -1 1 318.394 3.546 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)/C=C/C2CCCCC2)c1 ZINC000745059086 1021652510 /nfs/dbraw/zinc/65/25/10/1021652510.db2.gz STHWSZLSNQWAKL-JXMROGBWSA-N -1 1 316.397 3.817 20 0 DHADMM CCc1nc(SC[C@]2(C)CC2(Cl)Cl)[n-]c(=O)c1C ZINC000849921970 1032997067 /nfs/dbraw/zinc/99/70/67/1032997067.db2.gz UAVPSIDACQLFST-NSHDSACASA-N -1 1 307.246 3.729 20 0 DHADMM CC(C)N(C)c1cccc(NC(=O)c2ccc([O-])cc2F)c1 ZINC000154879515 1021704801 /nfs/dbraw/zinc/70/48/01/1021704801.db2.gz RMFVQRUVPFACHK-UHFFFAOYSA-N -1 1 302.349 3.628 20 0 DHADMM CC(C)(C(=O)Nc1cc([O-])c(F)cc1F)c1ccc(F)cc1 ZINC001625893439 1021984021 /nfs/dbraw/zinc/98/40/21/1021984021.db2.gz JEDIJGBQHVZUKO-UHFFFAOYSA-N -1 1 309.287 3.726 20 0 DHADMM Cc1c(Cl)cc(NC(=O)c2ccc(O)cc2[O-])cc1Cl ZINC000620473110 1022159550 /nfs/dbraw/zinc/15/95/50/1022159550.db2.gz YZXXIWDVQAUJAH-UHFFFAOYSA-N -1 1 312.152 3.965 20 0 DHADMM O=C(NCc1ccc([O-])c(Cl)c1)N1CCC[C@H]2CCC[C@@H]21 ZINC000876393138 1033034911 /nfs/dbraw/zinc/03/49/11/1033034911.db2.gz DCMQYXUCAIBHKD-OCCSQVGLSA-N -1 1 308.809 3.520 20 0 DHADMM C[C@@H](c1ccco1)N(C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876392989 1033035152 /nfs/dbraw/zinc/03/51/52/1033035152.db2.gz GJAPSPAGZCOLKO-JTQLQIEISA-N -1 1 308.765 3.541 20 0 DHADMM CCN(C(=O)c1ccc([O-])cc1F)[C@@H](C)c1cccc(OC)c1 ZINC000154795966 1022332923 /nfs/dbraw/zinc/33/29/23/1022332923.db2.gz CZFDFOKRSSTADP-LBPRGKRZSA-N -1 1 317.360 3.763 20 0 DHADMM 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CC(=O)CCCCCCc1nc(-c2ccc([O-])cc2F)no1 ZINC000771211859 1023411345 /nfs/dbraw/zinc/41/13/45/1023411345.db2.gz OQKGQCANCXHLMW-UHFFFAOYSA-N -1 1 306.337 3.663 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H](C)CC(C)(C)C)c1 ZINC000772613308 1023572847 /nfs/dbraw/zinc/57/28/47/1023572847.db2.gz IUKSDDUEJXRJRO-GFCCVEGCSA-N -1 1 306.402 3.753 20 0 DHADMM COc1cc(C(=O)NCc2c(C)cccc2C)cc(Cl)c1[O-] ZINC000785614739 1023599317 /nfs/dbraw/zinc/59/93/17/1023599317.db2.gz YBMLNZQXGIXISG-UHFFFAOYSA-N -1 1 319.788 3.601 20 0 DHADMM C=Cc1ccc(C(=O)OCCc2cc(C(C)=O)ccc2[O-])cc1 ZINC000785621010 1023600313 /nfs/dbraw/zinc/60/03/13/1023600313.db2.gz AUMISNCPNZVOAC-UHFFFAOYSA-N -1 1 310.349 3.637 20 0 DHADMM Cc1cc(C)nc(SCc2cc(=O)oc3cc([O-])ccc23)c1 ZINC000786744425 1023720484 /nfs/dbraw/zinc/72/04/84/1023720484.db2.gz QOMDTQRWXSCUNV-UHFFFAOYSA-N -1 1 313.378 3.803 20 0 DHADMM CCc1ccc(C(=O)N2C[C@H](C)Oc3cc(C)ccc32)c([O-])c1 ZINC000787114599 1023758393 /nfs/dbraw/zinc/75/83/93/1023758393.db2.gz 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O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CC[C@H](C2CCC2)C1 ZINC000666076516 1024671441 /nfs/dbraw/zinc/67/14/41/1024671441.db2.gz PTVBNIMXHHFMTQ-LBPRGKRZSA-N -1 1 313.319 3.673 20 0 DHADMM CCOc1cc(C(=O)NC2CC3(CCC3)C2)cc(Cl)c1[O-] ZINC000652974650 1024679686 /nfs/dbraw/zinc/67/96/86/1024679686.db2.gz OAYDDHCDHHVDFQ-UHFFFAOYSA-N -1 1 309.793 3.507 20 0 DHADMM Cc1ccc(-c2ccc(Nc3[n-]c(=O)nc4nc[nH]c43)cc2)cc1 ZINC001170234062 1024700817 /nfs/dbraw/zinc/70/08/17/1024700817.db2.gz PPQTTZQMEIEARY-UHFFFAOYSA-N -1 1 317.352 3.778 20 0 DHADMM COc1ccc(C(=O)Nc2cccc3ccc(C)nc32)c([O-])c1 ZINC000390968452 1024813197 /nfs/dbraw/zinc/81/31/97/1024813197.db2.gz XBPUJKIXWRYGBS-UHFFFAOYSA-N -1 1 308.337 3.510 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)s1 ZINC000350632992 1024834837 /nfs/dbraw/zinc/83/48/37/1024834837.db2.gz PAWRGZISYDJSIS-UHFFFAOYSA-N -1 1 323.226 3.559 20 0 DHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1CCC2(CC2)CC1 ZINC000666315136 1024941544 /nfs/dbraw/zinc/94/15/44/1024941544.db2.gz SLCRPRCJFZKIQT-UHFFFAOYSA-N -1 1 311.385 3.691 20 0 DHADMM O=C([O-])[C@H]1CCCN1Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000263393368 1024958281 /nfs/dbraw/zinc/95/82/81/1024958281.db2.gz FWBQHUZRPSWCFX-CYBMUJFWSA-N -1 1 322.817 3.513 20 0 DHADMM CC[C@@H]1[C@H](C)CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000187410694 1025107806 /nfs/dbraw/zinc/10/78/06/1025107806.db2.gz XAPALAPXERHMEL-BXKDBHETSA-N -1 1 301.308 3.672 20 0 DHADMM CC(C)[C@H]([N-]C(=O)C(F)(F)Cc1ccccc1)C(F)(F)F ZINC000793943068 1025204861 /nfs/dbraw/zinc/20/48/61/1025204861.db2.gz LDHXERSKDOVOHN-NSHDSACASA-N -1 1 309.278 3.568 20 0 DHADMM C[C@]1(Cc2cccs2)CCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000885256924 1025301269 /nfs/dbraw/zinc/30/12/69/1025301269.db2.gz NPHFHMBTVNNXBU-QGZVFWFLSA-N -1 1 319.401 3.830 20 0 DHADMM CC(C)CCO[C@H](C)C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885673945 1025378443 /nfs/dbraw/zinc/37/84/43/1025378443.db2.gz AEPFYKSEPVEGMK-SECBINFHSA-N -1 1 303.761 3.574 20 0 DHADMM Cc1cc(C(=O)Nc2cc(F)c([O-])cc2Cl)nn1C(C)C ZINC000885678636 1025380422 /nfs/dbraw/zinc/38/04/22/1025380422.db2.gz TXBVJTLJXKXURZ-UHFFFAOYSA-N -1 1 311.744 3.523 20 0 DHADMM COc1ccc(-c2nc([C@@H]3CCc4ccccc4C3)no2)c([O-])c1 ZINC000325786796 1025391920 /nfs/dbraw/zinc/39/19/20/1025391920.db2.gz VWHBLCYGFLUKKV-CQSZACIVSA-N -1 1 322.364 3.723 20 0 DHADMM CCCc1cc(C(=O)[N-]c2c3nsnc3ccc2Cl)no1 ZINC001126359266 1025792236 /nfs/dbraw/zinc/79/22/36/1025792236.db2.gz XTXRIXRWKCVERK-UHFFFAOYSA-N -1 1 322.777 3.538 20 0 DHADMM O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cncc([O-])c1 ZINC000320365121 1025939124 /nfs/dbraw/zinc/93/91/24/1025939124.db2.gz CKYZYWFAUHBRTE-UHFFFAOYSA-N -1 1 302.333 3.611 20 0 DHADMM [O-]c1cc(O[C@H]2CCCC3(C2)OCCO3)c(Cl)cc1Cl ZINC001229405779 1025964117 /nfs/dbraw/zinc/96/41/17/1025964117.db2.gz AZZQYRJXGRPZNN-VIFPVBQESA-N -1 1 319.184 3.764 20 0 DHADMM CCCCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(F)c([O-])c2)C1(C)C ZINC001137233783 1026007207 /nfs/dbraw/zinc/00/72/07/1026007207.db2.gz BRQDYIXMAWSVKS-JKSUJKDBSA-N -1 1 323.408 3.587 20 0 DHADMM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1cn[nH]c1C1CC1 ZINC000356468546 1026058122 /nfs/dbraw/zinc/05/81/22/1026058122.db2.gz QURRPSIFPMQMFE-UHFFFAOYSA-N -1 1 312.156 3.552 20 0 DHADMM CCC[C@@H](Cc1ccccc1)NC(=O)c1c(F)ccc([O-])c1F ZINC000289683083 1026131369 /nfs/dbraw/zinc/13/13/69/1026131369.db2.gz MUEGJODNGUSVQO-ZDUSSCGKSA-N -1 1 319.351 3.812 20 0 DHADMM Cc1ccccc1[C@@H]1CCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000289939820 1026242273 /nfs/dbraw/zinc/24/22/73/1026242273.db2.gz ZJXWZSZLJGLOOJ-GFCCVEGCSA-N -1 1 317.335 3.609 20 0 DHADMM O=C(Nc1ccc(N2CCCC2)cc1)c1c(F)ccc([O-])c1F ZINC000809571489 1026552482 /nfs/dbraw/zinc/55/24/82/1026552482.db2.gz UACBQRFOYZHBJS-UHFFFAOYSA-N -1 1 318.323 3.523 20 0 DHADMM C[C@@H](CCCC(F)(F)F)N=c1nc(C(F)(F)F)[n-]s1 ZINC000574908254 1027436052 /nfs/dbraw/zinc/43/60/52/1027436052.db2.gz BJADZMJYKNUANJ-YFKPBYRVSA-N -1 1 307.263 3.512 20 0 DHADMM [O-]c1ccc(-c2noc(-c3ccnn3C3CCCC3)n2)c(F)c1 ZINC000562476689 1027454290 /nfs/dbraw/zinc/45/42/90/1027454290.db2.gz WRIRLJARIJANKS-UHFFFAOYSA-N -1 1 314.320 3.560 20 0 DHADMM O=C(N[C@H]1CCCC[C@H]1CC(F)(F)F)c1ccc([O-])cc1F ZINC000295904892 1027485184 /nfs/dbraw/zinc/48/51/84/1027485184.db2.gz XWVXFGRMFZITQP-ZANVPECISA-N -1 1 319.298 3.772 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)C1(c2cccnc2)CCCC1 ZINC000562637485 1027541591 /nfs/dbraw/zinc/54/15/91/1027541591.db2.gz UILZCWUWKXQCQL-UHFFFAOYSA-N -1 1 318.323 3.516 20 0 DHADMM CCSc1cccc(F)c1[N-]C(=O)c1occ2c1CCOC2 ZINC000813306297 1027604077 /nfs/dbraw/zinc/60/40/77/1027604077.db2.gz XNZAPWYXQFSIJO-UHFFFAOYSA-N -1 1 321.373 3.856 20 0 DHADMM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000296783166 1027733093 /nfs/dbraw/zinc/73/30/93/1027733093.db2.gz DWMOUDAYFJLCOV-RKDXNWHRSA-N -1 1 321.726 3.849 20 0 DHADMM COc1ccc2cc(-c3nc4cccc(F)c4c(=O)[n-]3)ccc2c1 ZINC000601052144 1027955004 /nfs/dbraw/zinc/95/50/04/1027955004.db2.gz BECAJLLUKOUYLR-UHFFFAOYSA-N -1 1 320.323 3.891 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C(C)(C)C(C)(C)C)c1 ZINC000814487376 1028065169 /nfs/dbraw/zinc/06/51/69/1028065169.db2.gz OBSQZFLTTIEAHP-UHFFFAOYSA-N -1 1 306.402 3.753 20 0 DHADMM Cc1cc([C@@H]2CCN(C(=O)c3c(F)ccc([O-])c3F)C2)cs1 ZINC000367686265 1028226434 /nfs/dbraw/zinc/22/64/34/1028226434.db2.gz NUONXYBVDKDQHZ-SNVBAGLBSA-N -1 1 323.364 3.670 20 0 DHADMM Cc1oc([C@H](C)N2Cc3ccccc3C3(CC3)C2)cc1C(=O)[O-] ZINC000566362587 1028711091 /nfs/dbraw/zinc/71/10/91/1028711091.db2.gz UWMUPSOMTWXCPG-LBPRGKRZSA-N -1 1 311.381 3.895 20 0 DHADMM CCc1nc(SCc2ccc3c(c2)CCC3)[n-]c(=O)c1C ZINC000567292340 1028871259 /nfs/dbraw/zinc/87/12/59/1028871259.db2.gz NAQPCOLPJAIYPB-UHFFFAOYSA-N -1 1 300.427 3.834 20 0 DHADMM C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[N-]Oc1ccccc1 ZINC000816683947 1028987150 /nfs/dbraw/zinc/98/71/50/1028987150.db2.gz GMVMVTKWYWJYKX-LBPRGKRZSA-N -1 1 323.314 3.994 20 0 DHADMM C[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])C[C@H](C)C1(F)F ZINC000628386909 1029027823 /nfs/dbraw/zinc/02/78/23/1029027823.db2.gz IRPUPDGKJJZHEK-RYUDHWBXSA-N -1 1 319.351 3.909 20 0 DHADMM O=C(N[C@@H](c1ccccc1)C(F)F)c1c([O-])cccc1Cl ZINC000817223449 1029091582 /nfs/dbraw/zinc/09/15/82/1029091582.db2.gz SIOIJPVEQVJWRO-ZDUSSCGKSA-N -1 1 311.715 3.782 20 0 DHADMM Cc1cnc(F)cc1Nc1ccc(F)c(Br)c1[O-] ZINC001212852597 1029132232 /nfs/dbraw/zinc/13/22/32/1029132232.db2.gz APZYHZLTONBUID-UHFFFAOYSA-N -1 1 315.117 3.880 20 0 DHADMM O=C(N[C@H]1C[C@H](c2cccc(Cl)c2)C1)c1ccc([O-])cc1F ZINC000373878632 1029158958 /nfs/dbraw/zinc/15/89/58/1029158958.db2.gz QEPJTHIRSJNEJG-AULYBMBSSA-N -1 1 319.763 3.861 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1C[C@@H]1c1ccccc1Cl ZINC000569145152 1029183738 /nfs/dbraw/zinc/18/37/38/1029183738.db2.gz GQRNRQXBAATTGA-NEPJUHHUSA-N -1 1 305.736 3.927 20 0 DHADMM CCCN(CC(C)C)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC001135939782 1029195399 /nfs/dbraw/zinc/19/53/99/1029195399.db2.gz OODICYCLKDINKP-UHFFFAOYSA-N -1 1 304.365 3.588 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000628959861 1029196040 /nfs/dbraw/zinc/19/60/40/1029196040.db2.gz FFKRZLKETJSFQJ-RKDXNWHRSA-N -1 1 305.271 3.839 20 0 DHADMM C/C(=C/c1ccccc1)CN(C)C(=O)c1c(F)ccc([O-])c1F ZINC000569275372 1029206704 /nfs/dbraw/zinc/20/67/04/1029206704.db2.gz AXYGLSDHPTXLOX-BENRWUELSA-N -1 1 317.335 3.846 20 0 DHADMM C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2Cl)C[C@H](C)C1(F)F ZINC000629363231 1029310330 /nfs/dbraw/zinc/31/03/30/1029310330.db2.gz CCHIBDBOZFEHDH-AOOOYVTPSA-N -1 1 317.763 3.761 20 0 DHADMM COC(=O)c1c(C)cc(C)nc1-c1c(F)ccc([O-])c1Cl ZINC001245826153 1029328954 /nfs/dbraw/zinc/32/89/54/1029328954.db2.gz FEAXUSUTYDQDPN-UHFFFAOYSA-N -1 1 309.724 3.650 20 0 DHADMM CCCc1nc(C)c(C(=O)Nc2cc([O-])c(F)cc2F)s1 ZINC000818034354 1029329203 /nfs/dbraw/zinc/32/92/03/1029329203.db2.gz QJCGGRAKNQONCJ-UHFFFAOYSA-N -1 1 312.341 3.640 20 0 DHADMM C[C@@]1(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CCOC1 ZINC000529538903 1029376002 /nfs/dbraw/zinc/37/60/02/1029376002.db2.gz NCWBOHXFYUXWNU-MRXNPFEDSA-N -1 1 305.761 3.564 20 0 DHADMM O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1c([O-])cccc1Cl ZINC000818478704 1029389557 /nfs/dbraw/zinc/38/95/57/1029389557.db2.gz IZYGWZFGQBLLBW-STQMWFEESA-N -1 1 301.773 3.579 20 0 DHADMM Cc1ccc2c(c1)SCCCN2C(=O)c1ccc([O-])cc1F ZINC000820013997 1029633501 /nfs/dbraw/zinc/63/35/01/1029633501.db2.gz SXIOXYNMMLVQMZ-UHFFFAOYSA-N -1 1 317.385 3.982 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])c1cccc([C@@H]2CCCOC2)c1 ZINC000530005502 1029710701 /nfs/dbraw/zinc/71/07/01/1029710701.db2.gz LOIYDHRNLNFFGA-CQSZACIVSA-N -1 1 315.344 3.678 20 0 DHADMM CCCCOc1ccc(C=Cc2ncc(OC)c(=O)[n-]2)cc1 ZINC000821007084 1029804885 /nfs/dbraw/zinc/80/48/85/1029804885.db2.gz BZLZHAZUHNDJBY-YFHOEESVSA-N -1 1 300.358 3.540 20 0 DHADMM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)Nc1cccc([O-])c1Br ZINC000821375033 1029828763 /nfs/dbraw/zinc/82/87/63/1029828763.db2.gz LMXYYYVXZZIHLQ-DBIOUOCHSA-N -1 1 324.218 3.775 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(C2CC2)cc1 ZINC000772854003 1029870659 /nfs/dbraw/zinc/87/06/59/1029870659.db2.gz YCJGSNGPHQFLAA-UHFFFAOYSA-N -1 1 311.385 3.744 20 0 DHADMM CCC(CC)(CNC(=O)Cc1ccc([O-])c(Cl)c1)SC ZINC000866166842 1030148471 /nfs/dbraw/zinc/14/84/71/1030148471.db2.gz OAIDLUUSYWCFFW-UHFFFAOYSA-N -1 1 315.866 3.626 20 0 DHADMM COc1cc(C(=O)N(C)[C@H]2CCC(C)(C)C2)cc(Cl)c1[O-] ZINC000358071063 1030310357 /nfs/dbraw/zinc/31/03/57/1030310357.db2.gz IFZCYQZEKAHQPO-NSHDSACASA-N -1 1 311.809 3.705 20 0 DHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N(CC(F)F)C1CCC1 ZINC000925268104 1030326731 /nfs/dbraw/zinc/32/67/31/1030326731.db2.gz XERJDOLFXXUHSU-UHFFFAOYSA-N -1 1 323.261 3.671 20 0 DHADMM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ncc(C)cc1[O-] ZINC001136748538 1030336243 /nfs/dbraw/zinc/33/62/43/1030336243.db2.gz QNUNOBYGQGNCBX-CQSZACIVSA-N -1 1 318.804 3.500 20 0 DHADMM Cc1ccc(C[C@H]2CCCN2C(=O)c2ccc(F)c([O-])c2)cc1 ZINC001136763925 1030364805 /nfs/dbraw/zinc/36/48/05/1030364805.db2.gz KOSIHVJBKZSPCW-MRXNPFEDSA-N -1 1 313.372 3.687 20 0 DHADMM Cc1ccc(C[C@H](C)NC(=O)c2cccc([O-])c2F)c(C)c1 ZINC001136767576 1030373141 /nfs/dbraw/zinc/37/31/41/1030373141.db2.gz VJNMPWXTUQEWBD-ZDUSSCGKSA-N -1 1 301.361 3.509 20 0 DHADMM CCOC(=O)/C(=C/c1ccc([O-])c(Cl)c1)c1ncccc1C ZINC000794948451 1030438472 /nfs/dbraw/zinc/43/84/72/1030438472.db2.gz GOJSAQMEIIGZLW-UKTHLTGXSA-N -1 1 317.772 3.853 20 0 DHADMM CC1(C)CCC(=CC(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)CC1 ZINC001275595500 1030488866 /nfs/dbraw/zinc/48/88/66/1030488866.db2.gz CHSVYYOCDHQRFK-UHFFFAOYSA-N -1 1 315.417 3.526 20 0 DHADMM O=C(CCC1CCCCCC1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001275596066 1030503009 /nfs/dbraw/zinc/50/30/09/1030503009.db2.gz IZQAPSVPQMHHRD-UHFFFAOYSA-N -1 1 317.433 3.750 20 0 DHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@@H](C)CC2CC2)c1 ZINC000825010911 1030684569 /nfs/dbraw/zinc/68/45/69/1030684569.db2.gz BLAKFFMAMUTVRR-NSHDSACASA-N -1 1 314.351 3.774 20 0 DHADMM Cc1cc(C)cc(C[C@H](C)NC(=O)c2cccc([O-])c2F)c1 ZINC001137037428 1030811181 /nfs/dbraw/zinc/81/11/81/1030811181.db2.gz ZPVWCNXCLNTWJP-ZDUSSCGKSA-N -1 1 301.361 3.509 20 0 DHADMM CCN(c1ccc(NC(=O)c2ccc(O)cc2[O-])cc1)C(C)C ZINC000825457328 1030818010 /nfs/dbraw/zinc/81/80/10/1030818010.db2.gz RNNBBRPJNGAXFX-UHFFFAOYSA-N -1 1 314.385 3.585 20 0 DHADMM CC(C)(C)OCCCCOC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000869737023 1030849386 /nfs/dbraw/zinc/84/93/86/1030849386.db2.gz YRDDQWMZUSYMKF-UHFFFAOYSA-N -1 1 314.809 3.727 20 0 DHADMM O=C(Cc1ccc([O-])c(Cl)c1)OCc1csc(C2CC2)n1 ZINC000869736536 1030850316 /nfs/dbraw/zinc/85/03/16/1030850316.db2.gz JRLZOJGBRORYKX-UHFFFAOYSA-N -1 1 323.801 3.665 20 0 DHADMM CSc1ccc([O-])c(C(=O)Nc2ncsc2C(C)C)c1 ZINC000614960891 1030875936 /nfs/dbraw/zinc/87/59/36/1030875936.db2.gz POCNHDANIRAODE-UHFFFAOYSA-N -1 1 308.428 3.946 20 0 DHADMM O=C(COc1ccc2c(c1)CCC2)Nc1ccc([O-])c(Cl)c1 ZINC000067738924 1030966939 /nfs/dbraw/zinc/96/69/39/1030966939.db2.gz KWUHTJNHVWTHJA-UHFFFAOYSA-N -1 1 317.772 3.552 20 0 DHADMM CC[C@@H](C)c1nnc([C@H](C)NCc2cccc([O-])c2Cl)[nH]1 ZINC000292746232 1031156591 /nfs/dbraw/zinc/15/65/91/1031156591.db2.gz ASUFBVHUNVVGGJ-ZJUUUORDSA-N -1 1 308.813 3.528 20 0 DHADMM CCC[C@@H](C(=O)[N-]OCCCC(F)(F)F)c1ccccc1 ZINC000871209887 1031160501 /nfs/dbraw/zinc/16/05/01/1031160501.db2.gz JYEVSMQIQZAIAR-CYBMUJFWSA-N -1 1 303.324 3.961 20 0 DHADMM CCCCc1nc(CN2CCC[C@@H](CCC(=O)[O-])C2)cs1 ZINC000263159250 1031170110 /nfs/dbraw/zinc/17/01/10/1031170110.db2.gz QKBRQLPPDUQEPM-ZDUSSCGKSA-N -1 1 310.463 3.563 20 0 DHADMM CC(C)(C)c1n[nH]cc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000293054050 1031307414 /nfs/dbraw/zinc/30/74/14/1031307414.db2.gz APFIQMQBENPYEV-UHFFFAOYSA-N -1 1 318.764 3.783 20 0 DHADMM CCO[C@H](C)c1ncc(C(=O)[N-]c2c(C)noc2C(C)C)s1 ZINC000928790402 1031386913 /nfs/dbraw/zinc/38/69/13/1031386913.db2.gz USNAGGSSRWBVEP-SNVBAGLBSA-N -1 1 323.418 3.913 20 0 DHADMM CC(C)[C@@H]1CCc2[n-]n([C@@H]3CCOC4(CCCC4)C3)c(=O)c2C1 ZINC000871963097 1031390155 /nfs/dbraw/zinc/39/01/55/1031390155.db2.gz DTVIFCGCEXVDPB-OAGGEKHMSA-N -1 1 318.461 3.749 20 0 DHADMM [O-]c1cccc(CNCc2ccc3c(n2)CCCC3)c1Cl ZINC000293323398 1031427626 /nfs/dbraw/zinc/42/76/26/1031427626.db2.gz REJBQYXSAWVCLX-UHFFFAOYSA-N -1 1 302.805 3.609 20 0 DHADMM Cc1csc(C2(NCc3cccc([O-])c3Cl)CCC2)n1 ZINC000293447121 1031475364 /nfs/dbraw/zinc/47/53/64/1031475364.db2.gz CHFBLSHHTQJPFQ-UHFFFAOYSA-N -1 1 308.834 3.980 20 0 DHADMM O=C(c1c(F)ccc([O-])c1F)N1CCc2ccc(Cl)cc21 ZINC000537287979 1031566831 /nfs/dbraw/zinc/56/68/31/1031566831.db2.gz WQILSWKHHAJTAV-UHFFFAOYSA-N -1 1 309.699 3.527 20 0 DHADMM [O-]c1cc(F)c(CN2CCSc3ccccc3C2)c(F)c1 ZINC001144561315 1031713620 /nfs/dbraw/zinc/71/36/20/1031713620.db2.gz GOCGJVURCYTOBR-UHFFFAOYSA-N -1 1 307.365 3.778 20 0 DHADMM O=C1CN(Cc2cc(F)c([O-])cc2F)Cc2ccc(Cl)cc21 ZINC001144664189 1031802426 /nfs/dbraw/zinc/80/24/26/1031802426.db2.gz YZPWMQAHBLIATF-UHFFFAOYSA-N -1 1 323.726 3.522 20 0 DHADMM CCN(CC(C)(C)C)C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897812175 1031828467 /nfs/dbraw/zinc/82/84/67/1031828467.db2.gz HQDQODJZIUVWJR-UHFFFAOYSA-N -1 1 301.386 3.759 20 0 DHADMM CC(C)(CNC(=O)c1c([O-])cccc1F)c1cccc(Cl)c1 ZINC001142531770 1031954444 /nfs/dbraw/zinc/95/44/44/1031954444.db2.gz JYNFHXOBLROBFO-UHFFFAOYSA-N -1 1 321.779 3.892 20 0 DHADMM O=C(c1ccc(Br)c([O-])c1)N1CC[C@@H]1C1CCCC1 ZINC000889405661 1033663461 /nfs/dbraw/zinc/66/34/61/1033663461.db2.gz VFMJNCMFNLUHOW-CYBMUJFWSA-N -1 1 324.218 3.559 20 0 DHADMM FC(F)(F)c1nc(=NCC2CC(c3ccccc3)C2)s[n-]1 ZINC000553586438 1033749680 /nfs/dbraw/zinc/74/96/80/1033749680.db2.gz LPRUQWUEOLVHOS-UHFFFAOYSA-N -1 1 313.348 3.585 20 0 DHADMM CCc1ccc([C@H](C)C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)cc1 ZINC000479478101 1033772334 /nfs/dbraw/zinc/77/23/34/1033772334.db2.gz UTYXHCVXMLGDFG-LBPRGKRZSA-N -1 1 324.384 3.678 20 0 DHADMM O=C(C[C@@H]1CCCOC1)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000862295586 1033812728 /nfs/dbraw/zinc/81/27/28/1033812728.db2.gz NMIFQYSZTRWBLX-NSHDSACASA-N -1 1 319.788 3.954 20 0 DHADMM CCN(CC)C(=O)c1ccc([N-]c2nnc(C(C)(C)C)o2)cc1 ZINC001174063325 1034066838 /nfs/dbraw/zinc/06/68/38/1034066838.db2.gz QJRZZJDHERVHID-UHFFFAOYSA-N -1 1 316.405 3.593 20 0 DHADMM CCc1c(Cl)cc(Nc2cnc(OC)nc2)c([O-])c1Cl ZINC001174034891 1034088075 /nfs/dbraw/zinc/08/80/75/1034088075.db2.gz GQTZMXANOQKRHE-UHFFFAOYSA-N -1 1 314.172 3.804 20 0 DHADMM CN(C)C(=O)c1cccc(Nc2cc([O-])c(Cl)cc2F)c1 ZINC001174085826 1034140072 /nfs/dbraw/zinc/14/00/72/1034140072.db2.gz GCTQJHDTSUJUIH-UHFFFAOYSA-N -1 1 308.740 3.630 20 0 DHADMM Cc1ccc(-c2csc3[n-]c([C@@H]4CCCO4)nc(=O)c23)cc1 ZINC000178984218 1034275887 /nfs/dbraw/zinc/27/58/87/1034275887.db2.gz BJJVYGFLFDNLKF-ZDUSSCGKSA-N -1 1 312.394 3.812 20 0 DHADMM Cc1c(C(=O)Nc2ccc([O-])c(Cl)c2)oc2c1C(=O)CCC2 ZINC000179012855 1034278160 /nfs/dbraw/zinc/27/81/60/1034278160.db2.gz QPHLPQQIZANDEL-UHFFFAOYSA-N -1 1 319.744 3.718 20 0 DHADMM Cc1nn(C)cc1Nc1c(Cl)ccc(Br)c1[O-] ZINC001174338278 1034296364 /nfs/dbraw/zinc/29/63/64/1034296364.db2.gz GUZDNCYSRPTSFE-UHFFFAOYSA-N -1 1 316.586 3.594 20 0 DHADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(N(C)C)cc2)c1 ZINC000120308867 1034479050 /nfs/dbraw/zinc/47/90/50/1034479050.db2.gz KNHPWLZJRMXQSP-UHFFFAOYSA-N -1 1 324.833 3.515 20 0 DHADMM CC(C)Cc1nnc([N-]C(=O)c2conc2C2CCCC2)s1 ZINC000864968744 1034487796 /nfs/dbraw/zinc/48/77/96/1034487796.db2.gz LAPBMVNGTCHNKP-UHFFFAOYSA-N -1 1 320.418 3.635 20 0 DHADMM Cc1nc(SCC[C@H](O)c2ccccc2)[n-]c(=O)c1C1CC1 ZINC000865373279 1034613763 /nfs/dbraw/zinc/61/37/63/1034613763.db2.gz MWMMOCJXFUMSJB-AWEZNQCLSA-N -1 1 316.426 3.584 20 0 DHADMM CCC[C@@H](O)CCCSCc1cc(=O)oc2cc([O-])ccc12 ZINC000865380610 1034617990 /nfs/dbraw/zinc/61/79/90/1034617990.db2.gz ARVBDFMPVLZIDG-CYBMUJFWSA-N -1 1 322.426 3.673 20 0 DHADMM CC(C)OC(=O)c1cccc(Nc2cc(F)c([O-])cc2F)c1 ZINC001174917378 1034680094 /nfs/dbraw/zinc/68/00/94/1034680094.db2.gz ATGZOVDSKGDYJF-UHFFFAOYSA-N -1 1 307.296 3.979 20 0 DHADMM O=c1ccoc2ccc(Nc3nc4c(cccc4[O-])s3)cc12 ZINC001174938957 1034697057 /nfs/dbraw/zinc/69/70/57/1034697057.db2.gz HVVLGTPZZLFDFD-UHFFFAOYSA-N -1 1 310.334 3.852 20 0 DHADMM CCOc1cc(F)c(Nc2ccnc(Cl)c2[O-])cc1F ZINC001175054864 1034780066 /nfs/dbraw/zinc/78/00/66/1034780066.db2.gz SQDDREFXKYPDGH-UHFFFAOYSA-N -1 1 300.692 3.861 20 0 DHADMM COc1cc(C)c(Nc2cc3ccc([O-])cc3oc2=O)cc1C ZINC001175110831 1034788002 /nfs/dbraw/zinc/78/80/02/1034788002.db2.gz WEPAMVGXCAXJTK-UHFFFAOYSA-N -1 1 311.337 3.868 20 0 DHADMM Cc1nc2ccc(F)cn2c1Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001175315772 1034928714 /nfs/dbraw/zinc/92/87/14/1034928714.db2.gz KWALDMSVDMKUCZ-UHFFFAOYSA-N -1 1 319.723 3.877 20 0 DHADMM CCc1cc(Br)ccc1NC(=O)c1ccccc1[O-] ZINC000148276525 1035087272 /nfs/dbraw/zinc/08/72/72/1035087272.db2.gz MYZBIVAXXONTIA-UHFFFAOYSA-N -1 1 320.186 3.969 20 0 DHADMM CSc1ccc([O-])c(C(=O)Nc2ccnn2[C@@H](C)C2CC2)c1 ZINC000668015226 1035089252 /nfs/dbraw/zinc/08/92/52/1035089252.db2.gz XWZPLUMACFDQLE-JTQLQIEISA-N -1 1 317.414 3.534 20 0 DHADMM CC[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccncc1 ZINC000158613816 1035100976 /nfs/dbraw/zinc/10/09/76/1035100976.db2.gz GJNHITXAGRASFM-KRWDZBQOSA-N -1 1 306.365 3.822 20 0 DHADMM Cc1cnccc1CCC(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001175872060 1035150055 /nfs/dbraw/zinc/15/00/55/1035150055.db2.gz JIFGTGNQTDHWSF-UHFFFAOYSA-N -1 1 324.302 3.686 20 0 DHADMM CC(C)(C)[C@@H](C(=O)[O-])c1ccc(Nc2ccc3nn[nH]c3c2)cc1 ZINC001176002100 1035181387 /nfs/dbraw/zinc/18/13/87/1035181387.db2.gz HUDGATPECBVDBW-MRXNPFEDSA-N -1 1 324.384 3.916 20 0 DHADMM CC(C)(C)[C@@H](C(=O)[O-])c1ccc(Nc2ccc3n[nH]nc3c2)cc1 ZINC001176002100 1035181391 /nfs/dbraw/zinc/18/13/91/1035181391.db2.gz HUDGATPECBVDBW-MRXNPFEDSA-N -1 1 324.384 3.916 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@H](c2nccs2)C1 ZINC001176027793 1035187729 /nfs/dbraw/zinc/18/77/29/1035187729.db2.gz BQHYOCKBOVYJLN-AWEZNQCLSA-N -1 1 324.405 3.632 20 0 DHADMM COc1cc(Nc2cc3ccc([O-])cc3oc2=O)c(F)cc1F ZINC001176107010 1035204818 /nfs/dbraw/zinc/20/48/18/1035204818.db2.gz JIKHKOUKCKXPEL-UHFFFAOYSA-N -1 1 319.263 3.529 20 0 DHADMM CC(=O)OCc1cccc(C)c1Nc1ccc(F)c(F)c1[O-] ZINC001212773225 1035213997 /nfs/dbraw/zinc/21/39/97/1035213997.db2.gz XZJOTUSBLRJKPA-UHFFFAOYSA-N -1 1 307.296 3.786 20 0 DHADMM CC(C)CCc1nc(COC(=O)c2ccc([O-])cc2F)cs1 ZINC000773566105 1035239595 /nfs/dbraw/zinc/23/95/95/1035239595.db2.gz DFXTVKNJWZCQJP-UHFFFAOYSA-N -1 1 323.389 3.933 20 0 DHADMM CC(C)Oc1ccccc1COC(=O)c1ccc([O-])cc1F ZINC000773570488 1035257135 /nfs/dbraw/zinc/25/71/35/1035257135.db2.gz ZSUZKASDGOUQNY-UHFFFAOYSA-N -1 1 304.317 3.676 20 0 DHADMM CCc1ccc(C(=O)[C@H](C)OC(=O)c2ccc([O-])cc2F)cc1 ZINC000773571871 1035257638 /nfs/dbraw/zinc/25/76/38/1035257638.db2.gz UGCAZSAVKFXOCR-NSHDSACASA-N -1 1 316.328 3.522 20 0 DHADMM O=C(OCc1csc(-c2ccco2)n1)c1ccc([O-])cc1F ZINC000773578170 1035268543 /nfs/dbraw/zinc/26/85/43/1035268543.db2.gz WWPDNITWLBDGGM-UHFFFAOYSA-N -1 1 319.313 3.605 20 0 DHADMM O=C(COC(=O)c1ccc([O-])cc1F)c1ccc2ccccc2c1 ZINC000773578480 1035271627 /nfs/dbraw/zinc/27/16/27/1035271627.db2.gz HPPPVOUTAVVSBZ-UHFFFAOYSA-N -1 1 324.307 3.724 20 0 DHADMM Cc1cc(Nc2ccc(C=CC(=O)[O-])cc2)c2ccccc2n1 ZINC001176589728 1035291880 /nfs/dbraw/zinc/29/18/80/1035291880.db2.gz YQQKNMVREQRAMB-DHZHZOJOSA-N -1 1 304.349 3.807 20 0 DHADMM CNc1ccnc(Cl)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176663964 1035308704 /nfs/dbraw/zinc/30/87/04/1035308704.db2.gz PMQYSNQSIHUPQG-UHFFFAOYSA-N -1 1 303.671 3.643 20 0 DHADMM COC(=O)c1c(C)scc1Nc1c(F)cc(F)c([O-])c1F ZINC001176663459 1035308797 /nfs/dbraw/zinc/30/87/97/1035308797.db2.gz KUXJVABRPTWJGS-UHFFFAOYSA-N -1 1 317.288 3.710 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cccnc2N2CCCC2)c1F ZINC001176663473 1035309522 /nfs/dbraw/zinc/30/95/22/1035309522.db2.gz GDGWRCGTVRZVJN-UHFFFAOYSA-N -1 1 309.291 3.548 20 0 DHADMM O=c1ccc2c(Nc3c(F)cc(F)c([O-])c3F)cccc2[nH]1 ZINC001176670406 1035310516 /nfs/dbraw/zinc/31/05/16/1035310516.db2.gz GMJISXJVVXWTMX-UHFFFAOYSA-N -1 1 306.243 3.807 20 0 DHADMM O=c1oc2ccccc2cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176664926 1035310679 /nfs/dbraw/zinc/31/06/79/1035310679.db2.gz YTRDINDSWKHFKE-UHFFFAOYSA-N -1 1 307.227 3.660 20 0 DHADMM COC(=O)c1cc(C)ccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176672905 1035311435 /nfs/dbraw/zinc/31/14/35/1035311435.db2.gz NOSQETKLFWWQEJ-UHFFFAOYSA-N -1 1 311.259 3.648 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cccc(C3OCCO3)c2)c1F ZINC001176672427 1035312170 /nfs/dbraw/zinc/31/21/70/1035312170.db2.gz KPKRUNJXUSPBSZ-UHFFFAOYSA-N -1 1 311.259 3.599 20 0 DHADMM Cc1cc(CN[C@H](CC(=O)[O-])c2ccc(C(C)C)cc2)sn1 ZINC000904002051 1035337465 /nfs/dbraw/zinc/33/74/65/1035337465.db2.gz MSZIIGBMLXDOIX-MRXNPFEDSA-N -1 1 318.442 3.881 20 0 DHADMM O=C(NCCC[C@@H]1C=CCC1)c1ccc2ccc(O)cc2c1[O-] ZINC001176910073 1035338827 /nfs/dbraw/zinc/33/88/27/1035338827.db2.gz HTWZLRLCLPDORX-CYBMUJFWSA-N -1 1 311.381 3.727 20 0 DHADMM CC(C)(C)c1coc(CNCCC2(CC(=O)[O-])CCCCC2)n1 ZINC000904018022 1035340323 /nfs/dbraw/zinc/34/03/23/1035340323.db2.gz NZTSRHXMMUGGNT-UHFFFAOYSA-N -1 1 322.449 3.877 20 0 DHADMM C[C@@H](CC(=O)NCc1ccc([O-])c(Cl)c1)c1cccc(F)c1 ZINC001176988385 1035341656 /nfs/dbraw/zinc/34/16/56/1035341656.db2.gz MCHNFKARUSPZRQ-NSHDSACASA-N -1 1 321.779 3.995 20 0 DHADMM COc1ccc2oc(CN[C@@H](CCCC(C)C)C(=O)[O-])cc2c1 ZINC000904035897 1035348511 /nfs/dbraw/zinc/34/85/11/1035348511.db2.gz IQDSWAGHJMRHIS-INIZCTEOSA-N -1 1 319.401 3.811 20 0 DHADMM C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1[O-])c1cccnc1 ZINC001177793889 1035393376 /nfs/dbraw/zinc/39/33/76/1035393376.db2.gz PORKRSDWRCGSDN-VIFPVBQESA-N -1 1 310.275 3.548 20 0 DHADMM O=C(NCc1cc(Cl)ccn1)c1cc2ccccc2cc1[O-] ZINC000436685064 1035467700 /nfs/dbraw/zinc/46/77/00/1035467700.db2.gz AORWSDMGJLZTML-UHFFFAOYSA-N -1 1 312.756 3.524 20 0 DHADMM Cc1oc(NC(=O)c2ccc3ccccc3c2[O-])nc1C1CC1 ZINC001179414675 1035478805 /nfs/dbraw/zinc/47/88/05/1035478805.db2.gz QCDMJRHEGSKSJE-UHFFFAOYSA-N -1 1 308.337 3.972 20 0 DHADMM CCOc1cccc(C(=O)Nc2cc(F)c([O-])cc2Cl)c1 ZINC001179656014 1035487337 /nfs/dbraw/zinc/48/73/37/1035487337.db2.gz MKEABZUTMMWWTE-UHFFFAOYSA-N -1 1 309.724 3.836 20 0 DHADMM CC[C@]1(C)CCCN(Cc2ncc(Br)cc2[O-])C1 ZINC001179956615 1035557579 /nfs/dbraw/zinc/55/75/79/1035557579.db2.gz HCPRARWPZVOZLI-CQSZACIVSA-N -1 1 313.239 3.562 20 0 DHADMM C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1[O-])C(F)(F)F ZINC001180089669 1035571346 /nfs/dbraw/zinc/57/13/46/1035571346.db2.gz SITWZOLQDMJUTQ-ZCFIWIBFSA-N -1 1 315.213 3.938 20 0 DHADMM [O-]c1ccc(-c2noc(-c3ccnn3C3CCCC3)n2)cc1F ZINC000568947576 1035585339 /nfs/dbraw/zinc/58/53/39/1035585339.db2.gz JVCTWQLABNZXMN-UHFFFAOYSA-N -1 1 314.320 3.560 20 0 DHADMM CC(C)(C)c1nnc(C(=O)[N-]c2cscc2Cl)s1 ZINC000636437800 1035597789 /nfs/dbraw/zinc/59/77/89/1035597789.db2.gz CNUQOXZEZKDCHK-UHFFFAOYSA-N -1 1 301.824 3.803 20 0 DHADMM COc1ccc(OC)c(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000190918050 1035644450 /nfs/dbraw/zinc/64/44/50/1035644450.db2.gz PFYYVDFDNDPOBD-UHFFFAOYSA-N -1 1 322.748 3.707 20 0 DHADMM Cc1c(Cl)cc(NS(=O)(=O)CC2CCC2)c([O-])c1Cl ZINC001193514103 1035657794 /nfs/dbraw/zinc/65/77/94/1035657794.db2.gz FPTUBFUCIRMNIR-UHFFFAOYSA-N -1 1 324.229 3.549 20 0 DHADMM Cc1cc(N(C)C)cc(C)c1NCc1ccc([O-])c(F)c1F ZINC001180603243 1035728424 /nfs/dbraw/zinc/72/84/24/1035728424.db2.gz QRTLITQVIIMSND-UHFFFAOYSA-N -1 1 306.356 3.965 20 0 DHADMM COc1ccc2c(c1)N(Cc1cccc([O-])c1Cl)C[C@H](C)O2 ZINC001181089397 1035826257 /nfs/dbraw/zinc/82/62/57/1035826257.db2.gz UNLMTNOSLKERFX-NSHDSACASA-N -1 1 319.788 3.842 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)CSC(C)C)c1 ZINC000539799752 1035865275 /nfs/dbraw/zinc/86/52/75/1035865275.db2.gz GCHDDYPSFCHVMF-UHFFFAOYSA-N -1 1 318.236 3.543 20 0 DHADMM CC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1c(C)cccc1C ZINC001194642089 1035976531 /nfs/dbraw/zinc/97/65/31/1035976531.db2.gz FMGWROZLZGMOBO-UHFFFAOYSA-N -1 1 317.410 3.615 20 0 DHADMM CCOc1cccc([N-]S(=O)(=O)c2c(C)cccc2C)c1 ZINC001194638666 1035976875 /nfs/dbraw/zinc/97/68/75/1035976875.db2.gz LFAYRXJXBWVRJI-UHFFFAOYSA-N -1 1 305.399 3.503 20 0 DHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(C2CCC2)nc1 ZINC001194615286 1035981361 /nfs/dbraw/zinc/98/13/61/1035981361.db2.gz FRLJOOWBKLQVAE-UHFFFAOYSA-N -1 1 316.426 3.767 20 0 DHADMM Cc1sc(Nc2cc(Cl)c([O-])cc2F)c(C(N)=O)c1C ZINC001250019996 1035989366 /nfs/dbraw/zinc/98/93/66/1035989366.db2.gz ACAUFOFHYIFSIQ-UHFFFAOYSA-N -1 1 314.769 3.706 20 0 DHADMM O=C(Nc1cc2ccccc2s1)c1c[n-]c(C(F)(F)F)n1 ZINC001194770921 1036032242 /nfs/dbraw/zinc/03/22/42/1036032242.db2.gz UDSFNUUDXLYTFB-UHFFFAOYSA-N -1 1 311.288 3.896 20 0 DHADMM Cc1cccc(O)c1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001152168929 1036092494 /nfs/dbraw/zinc/09/24/94/1036092494.db2.gz PVILWEBUAVTUQV-UHFFFAOYSA-N -1 1 311.259 3.677 20 0 DHADMM Cc1cc([N-]S(=O)(=O)CC[Si](C)(C)C)nc2ccccc12 ZINC001195041190 1036110898 /nfs/dbraw/zinc/11/08/98/1036110898.db2.gz REAQPZOUYITUBT-UHFFFAOYSA-N -1 1 322.506 3.623 20 0 DHADMM CCc1oc2ccccc2c1CN(C)C(=O)c1ncc(C)cc1[O-] ZINC000494925518 1036128383 /nfs/dbraw/zinc/12/83/83/1036128383.db2.gz REGXSFFCNMDYBL-UHFFFAOYSA-N -1 1 324.380 3.676 20 0 DHADMM CCC[C@@H](C(=O)Nc1c(C)[n-][nH]c1=O)c1ccc(Cl)cc1 ZINC000615227045 1036145767 /nfs/dbraw/zinc/14/57/67/1036145767.db2.gz OKKIXXBGTWRSQE-GFCCVEGCSA-N -1 1 307.781 3.600 20 0 DHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc3c2COC3)c1 ZINC001195158952 1036165235 /nfs/dbraw/zinc/16/52/35/1036165235.db2.gz IVKOARAPODGBBU-UHFFFAOYSA-N -1 1 317.410 3.641 20 0 DHADMM CC(C)(C)c1ccc(O)c(NC(=O)c2cc([O-])cnc2Cl)c1 ZINC001195308588 1036215516 /nfs/dbraw/zinc/21/55/16/1036215516.db2.gz HCGZCOGDMGXDHF-UHFFFAOYSA-N -1 1 320.776 3.696 20 0 DHADMM Cc1[nH]c2c(cccc2NC(=O)c2cc([O-])cnc2Cl)c1C ZINC001195305536 1036215856 /nfs/dbraw/zinc/21/58/56/1036215856.db2.gz GARQNSYBMFQVTI-UHFFFAOYSA-N -1 1 315.760 3.791 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1cccc(SC(F)(F)F)c1 ZINC001195484313 1036264361 /nfs/dbraw/zinc/26/43/61/1036264361.db2.gz LCMRUFRCSHXJGU-UHFFFAOYSA-N -1 1 324.349 3.741 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1cccc(-c2cccs2)c1 ZINC001195492955 1036269847 /nfs/dbraw/zinc/26/98/47/1036269847.db2.gz SIBACGCQNFXJSM-UHFFFAOYSA-N -1 1 306.412 3.858 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1c(C)ccc(Cl)c1Cl ZINC001195494830 1036272410 /nfs/dbraw/zinc/27/24/10/1036272410.db2.gz QUEOMSNIYUQHCU-UHFFFAOYSA-N -1 1 307.202 3.745 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)C1(C2CC2)CCC1 ZINC000908718276 1036479699 /nfs/dbraw/zinc/47/96/99/1036479699.db2.gz UQJWZZTUSAWSHW-UHFFFAOYSA-N -1 1 310.191 3.674 20 0 DHADMM CS[C@@H](C)CCC(=O)Nc1cccc([O-])c1Br ZINC000908710883 1036490123 /nfs/dbraw/zinc/49/01/23/1036490123.db2.gz VWUBHKMKRVHCTA-QMMMGPOBSA-N -1 1 318.236 3.625 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)C1CCC=CCC1 ZINC000908716799 1036492195 /nfs/dbraw/zinc/49/21/95/1036492195.db2.gz AUWDNBWIQRVMBP-UHFFFAOYSA-N -1 1 310.191 3.840 20 0 DHADMM C/C=C/COc1cccc(CC(=O)Nc2ccc(F)cc2[O-])c1 ZINC001183053995 1036513052 /nfs/dbraw/zinc/51/30/52/1036513052.db2.gz BHHKQTOJJIPFAD-NSCUHMNNSA-N -1 1 315.344 3.667 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC001183217340 1036542831 /nfs/dbraw/zinc/54/28/31/1036542831.db2.gz AEFIEHJPVRTHDT-IJLUTSLNSA-N -1 1 308.809 3.986 20 0 DHADMM C[C@@H](CCC(=O)Nc1nc(Cl)ccc1[O-])c1ccccc1 ZINC001183217540 1036543961 /nfs/dbraw/zinc/54/39/61/1036543961.db2.gz DZISYAKIDLTKRA-NSHDSACASA-N -1 1 304.777 3.963 20 0 DHADMM CSc1nc(NC2=CC[C@H](C(F)(F)F)CC2)cc(=O)[n-]1 ZINC001196768385 1036603957 /nfs/dbraw/zinc/60/39/57/1036603957.db2.gz QKSVULFYADHLGL-ZETCQYMHSA-N -1 1 305.325 3.562 20 0 DHADMM [O-]c1ccc(CNc2cccc(-c3ccon3)c2)c(F)c1F ZINC001183972405 1036720362 /nfs/dbraw/zinc/72/03/62/1036720362.db2.gz RFKDDWOLSVSYJE-UHFFFAOYSA-N -1 1 302.280 3.938 20 0 DHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])C1=Cc2ccccc2C1 ZINC001183978165 1036723853 /nfs/dbraw/zinc/72/38/53/1036723853.db2.gz DKYVMWLXLLKJRH-UHFFFAOYSA-N -1 1 319.282 3.989 20 0 DHADMM CC(C)(CC(=O)Nc1cc([O-])c(F)cc1F)CC(F)(F)F ZINC000909973080 1036724260 /nfs/dbraw/zinc/72/42/60/1036724260.db2.gz VCISTGGTQGJUHI-UHFFFAOYSA-N -1 1 311.250 3.978 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1CCCc2sccc21 ZINC000909984404 1036729745 /nfs/dbraw/zinc/72/97/45/1036729745.db2.gz NJHNYJPFNLUNNW-SECBINFHSA-N -1 1 309.337 3.791 20 0 DHADMM Cc1ccc(C(=O)Nc2cc([O-])c(F)cc2F)c(C(C)C)n1 ZINC000909987634 1036742840 /nfs/dbraw/zinc/74/28/40/1036742840.db2.gz AITYDTUHEYGRKU-UHFFFAOYSA-N -1 1 306.312 3.750 20 0 DHADMM O=C(N[C@H]1COc2ccc(Cl)cc21)c1c([O-])cccc1Cl ZINC000762579408 1036846117 /nfs/dbraw/zinc/84/61/17/1036846117.db2.gz PABFRUQDJINGII-NSHDSACASA-N -1 1 324.163 3.563 20 0 DHADMM CCc1ccccc1S(=O)(=O)[N-]c1c(C)cccc1CC ZINC000488249377 1036919708 /nfs/dbraw/zinc/91/97/08/1036919708.db2.gz OCDKEKXFPAZTEW-UHFFFAOYSA-N -1 1 303.427 3.921 20 0 DHADMM C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ncc2ccccc2c1[O-] ZINC000668844832 1036974265 /nfs/dbraw/zinc/97/42/65/1036974265.db2.gz KKPWVEXVRFUAQI-IOASZLSFSA-N -1 1 310.397 3.734 20 0 DHADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@H]1CCCc2sccc21 ZINC000910983146 1037019270 /nfs/dbraw/zinc/01/92/70/1037019270.db2.gz VCQXEXJJXRVUSO-JTQLQIEISA-N -1 1 309.337 3.791 20 0 DHADMM O=C(Nc1ccc(F)c(F)c1)Nc1cc([O-])c(F)cc1F ZINC001185089160 1037021358 /nfs/dbraw/zinc/02/13/58/1037021358.db2.gz BRSRZUNLEKJXDW-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM CCC[C@@H](C(=O)Nc1cc(F)cc(F)c1[O-])c1ccccn1 ZINC000910987641 1037022712 /nfs/dbraw/zinc/02/27/12/1037022712.db2.gz CGWVVSOODRMMMY-LLVKDONJSA-N -1 1 306.312 3.588 20 0 DHADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000910989543 1037022881 /nfs/dbraw/zinc/02/28/81/1037022881.db2.gz AFFMWAQFABEIMQ-RKDXNWHRSA-N -1 1 323.261 3.978 20 0 DHADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000910989508 1037023787 /nfs/dbraw/zinc/02/37/87/1037023787.db2.gz AFFMWAQFABEIMQ-BDAKNGLRSA-N -1 1 323.261 3.978 20 0 DHADMM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000315917874 1037062048 /nfs/dbraw/zinc/06/20/48/1037062048.db2.gz OZKAGJPZQIBUKD-AWEZNQCLSA-N -1 1 319.426 3.973 20 0 DHADMM O=S(=O)([N-]c1ccc2c(c1)N=NC2)c1ccc2occc2c1 ZINC001198871192 1037154606 /nfs/dbraw/zinc/15/46/06/1037154606.db2.gz ZATDUVGFWMNERB-UHFFFAOYSA-N -1 1 313.338 3.831 20 0 DHADMM O=C(Nc1cc(Cl)cc2[nH]ccc21)c1ccc([O-])c(F)c1 ZINC001186226355 1037338049 /nfs/dbraw/zinc/33/80/49/1037338049.db2.gz MHWFWCMFEDLFOA-UHFFFAOYSA-N -1 1 304.708 3.918 20 0 DHADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2ncsc2c1 ZINC000194156707 1037389386 /nfs/dbraw/zinc/38/93/86/1037389386.db2.gz DVCPNJXGXLOPGF-UHFFFAOYSA-N -1 1 322.386 3.545 20 0 DHADMM CC(C)[C@@H](F)C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000843886269 1037401043 /nfs/dbraw/zinc/40/10/43/1037401043.db2.gz OJTTWPLCLCJJRA-SECBINFHSA-N -1 1 324.577 3.741 20 0 DHADMM CC[C@@H]([N-]S(=O)(=O)c1csc2ccccc21)C(F)(F)F ZINC001186522420 1037430804 /nfs/dbraw/zinc/43/08/04/1037430804.db2.gz MAJGMYQZWPRVIH-LLVKDONJSA-N -1 1 323.361 3.521 20 0 DHADMM Cc1cc(NC(=S)Nc2cc(F)c([O-])cc2F)ccc1F ZINC001201039968 1037520593 /nfs/dbraw/zinc/52/05/93/1037520593.db2.gz XCYDDNRVJWGWRB-UHFFFAOYSA-N -1 1 312.316 3.927 20 0 DHADMM [O-]c1ccc(CNc2ncccc2Br)cc1Cl ZINC001187509607 1037642784 /nfs/dbraw/zinc/64/27/84/1037642784.db2.gz GHERFYMSIGDYDQ-UHFFFAOYSA-N -1 1 313.582 3.815 20 0 DHADMM O=C(Nc1cc(F)cc(F)c1)Nc1cc([O-])c(F)cc1F ZINC001187570196 1037666028 /nfs/dbraw/zinc/66/60/28/1037666028.db2.gz LCDUIBDLBOCPGU-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM CC(=O)Nc1cc(NCc2cccc([O-])c2Cl)ccc1C ZINC000328214773 1037709468 /nfs/dbraw/zinc/70/94/68/1037709468.db2.gz JPTDJDFHTYBEQQ-UHFFFAOYSA-N -1 1 304.777 3.925 20 0 DHADMM CCOc1ncc(Cl)cc1Nc1cc([O-])c(F)c(F)c1 ZINC001201511177 1037731262 /nfs/dbraw/zinc/73/12/62/1037731262.db2.gz QSKQXYOPMHNCOA-UHFFFAOYSA-N -1 1 300.692 3.861 20 0 DHADMM O=C(OCc1ccc(Cl)cc1)c1cc(-c2ccco2)n[nH]1 ZINC000913297995 1037790401 /nfs/dbraw/zinc/79/04/01/1037790401.db2.gz DDOFCRGJLKTFDV-UHFFFAOYSA-N -1 1 302.717 3.680 20 0 DHADMM COc1ccc(NC(=O)Nc2ccc(F)cc2[O-])cc1Cl ZINC001188468800 1037909081 /nfs/dbraw/zinc/90/90/81/1037909081.db2.gz GAXBMBMDFFRNOI-UHFFFAOYSA-N -1 1 310.712 3.837 20 0 DHADMM CCOc1ccccc1NC(=O)Nc1cc(F)c([O-])cc1F ZINC001202147311 1038062967 /nfs/dbraw/zinc/06/29/67/1038062967.db2.gz ROFPZEHEHAFLCL-UHFFFAOYSA-N -1 1 308.284 3.713 20 0 DHADMM Cc1[n-][nH]c(=O)c1NC(=O)C1(c2ccccc2C)CCCCC1 ZINC000615226512 1038102788 /nfs/dbraw/zinc/10/27/88/1038102788.db2.gz KZHJMIAUSQIVOI-UHFFFAOYSA-N -1 1 313.401 3.573 20 0 DHADMM O=C([O-])[C@H](NCc1cccc(F)c1F)c1cccc(Cl)c1 ZINC000571592660 1038164294 /nfs/dbraw/zinc/16/42/94/1038164294.db2.gz KVNOTTDJBJVOFU-CQSZACIVSA-N -1 1 311.715 3.534 20 0 DHADMM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cccc(F)c1[O-] ZINC001151771218 1038170303 /nfs/dbraw/zinc/17/03/03/1038170303.db2.gz FAZDQVAWFXZPSK-XJKCOSOUSA-N -1 1 323.408 3.947 20 0 DHADMM Brc1ccc(-c2cnoc2[N-]c2cnoc2)cc1 ZINC001203234859 1038178141 /nfs/dbraw/zinc/17/81/41/1038178141.db2.gz VXQQVJLVAICLLM-UHFFFAOYSA-N -1 1 306.119 3.836 20 0 DHADMM COc1cc([O-])c(C(=O)Nc2ccccc2C(C)C)c(OC)c1 ZINC001190114844 1038269555 /nfs/dbraw/zinc/26/95/55/1038269555.db2.gz UDWMCCZGEOVKTN-UHFFFAOYSA-N -1 1 315.369 3.785 20 0 DHADMM O=C(Nc1cccc2nsnc21)Nc1cccc([O-])c1Cl ZINC001190312301 1038291678 /nfs/dbraw/zinc/29/16/78/1038291678.db2.gz WBEZTOSKPDHTBP-UHFFFAOYSA-N -1 1 320.761 3.694 20 0 DHADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccnc(F)c2)cc1 ZINC001190423076 1038315988 /nfs/dbraw/zinc/31/59/88/1038315988.db2.gz CKDVVGYWZIRNBS-UHFFFAOYSA-N -1 1 322.405 3.709 20 0 DHADMM O=S(=O)([N-]c1ccc2ocnc2c1)c1ccc(C2CC2)cc1 ZINC001190497771 1038337283 /nfs/dbraw/zinc/33/72/83/1038337283.db2.gz XZKJBQQXVHMYGT-UHFFFAOYSA-N -1 1 314.366 3.506 20 0 DHADMM [O-]c1cc(CN2C[C@@H]3CCCC[C@H]3C2)c(F)c(F)c1Cl ZINC001250387814 1038358509 /nfs/dbraw/zinc/35/85/09/1038358509.db2.gz OTCPYHGSZWAUCE-UWVGGRQHSA-N -1 1 301.764 3.946 20 0 DHADMM O=S(=O)([N-]C[C@@H]1CCC[C@H]1C1CC1)c1cc2ccccc2o1 ZINC001212158241 1038474314 /nfs/dbraw/zinc/47/43/14/1038474314.db2.gz NTOKUHXNMIYUNZ-GJZGRUSLSA-N -1 1 319.426 3.537 20 0 DHADMM O=C(Nc1ccc(OC(F)F)cc1)Nc1ccc(F)cc1[O-] ZINC001192175639 1038605936 /nfs/dbraw/zinc/60/59/36/1038605936.db2.gz SFXCFHJUTZVYPN-UHFFFAOYSA-N -1 1 312.247 3.777 20 0 DHADMM CC(C)(Cc1ccc(F)cc1)NC(=O)c1cc([O-])cc(F)c1F ZINC001192671263 1038690673 /nfs/dbraw/zinc/69/06/73/1038690673.db2.gz ZKASPPKZATZADR-UHFFFAOYSA-N -1 1 323.314 3.561 20 0 DHADMM C[C@H]1C[C@@H](c2ccccc2)CCN1Cc1nc(C(=O)[O-])cs1 ZINC000573734698 1039068967 /nfs/dbraw/zinc/06/89/67/1039068967.db2.gz YYGVSNIZSHLCKZ-JSGCOSHPSA-N -1 1 316.426 3.609 20 0 DHADMM CC(C)(C)n1nccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000593037037 1039364654 /nfs/dbraw/zinc/36/46/54/1039364654.db2.gz CMYGFCUBGIROOX-UHFFFAOYSA-N -1 1 309.369 3.749 20 0 DHADMM CCc1nc(CNCc2ccccc2C2CC2)ccc1C(=O)[O-] ZINC000669470243 1039380277 /nfs/dbraw/zinc/38/02/77/1039380277.db2.gz DABZICHJFBQHJD-UHFFFAOYSA-N -1 1 310.397 3.509 20 0 DHADMM O=C(CCCOc1ccc(Cl)cc1)Nc1c([O-])cccc1F ZINC000605437783 1039682833 /nfs/dbraw/zinc/68/28/33/1039682833.db2.gz PXRRHPILERHTRU-UHFFFAOYSA-N -1 1 323.751 3.982 20 0 DHADMM CC(C)c1nc(=NCCCc2cccc(C(F)(F)F)c2)o[n-]1 ZINC000605691819 1039740402 /nfs/dbraw/zinc/74/04/02/1039740402.db2.gz QSHNXFARUARHMS-UHFFFAOYSA-N -1 1 313.323 3.678 20 0 DHADMM CC(C)COc1cccc(C(=O)Nc2c([O-])cccc2F)c1 ZINC000608366513 1040473814 /nfs/dbraw/zinc/47/38/14/1040473814.db2.gz LRYRIKQLDOVNBM-UHFFFAOYSA-N -1 1 303.333 3.818 20 0 DHADMM COCc1c2ccccc2oc1C(=O)Nc1c([O-])cccc1F ZINC000608366824 1040474329 /nfs/dbraw/zinc/47/43/29/1040474329.db2.gz NRJLEXMLUXNZIQ-UHFFFAOYSA-N -1 1 315.300 3.676 20 0 DHADMM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1c([O-])cccc1F ZINC000608366882 1040474560 /nfs/dbraw/zinc/47/45/60/1040474560.db2.gz PLPUZDMLTUODRV-NSHDSACASA-N -1 1 305.324 3.878 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1cc(Oc2ccccc2)ccn1 ZINC000608760612 1040605964 /nfs/dbraw/zinc/60/59/64/1040605964.db2.gz VBYXFAUIYNUMFY-UHFFFAOYSA-N -1 1 324.311 3.971 20 0 DHADMM Cc1c(C(=O)[N-]c2c(F)cc(F)cc2F)oc2c1C(=O)CCC2 ZINC000072526485 191187513 /nfs/dbraw/zinc/18/75/13/191187513.db2.gz LLLAZSVCTMKOCE-UHFFFAOYSA-N -1 1 323.270 3.777 20 0 DHADMM C[C@@H](OC(C)(C)C)[C@H](NCc1cc2ccccc2s1)C(=O)[O-] ZINC000417582126 334998344 /nfs/dbraw/zinc/99/83/44/334998344.db2.gz HLDILJOXLJBBKN-ABAIWWIYSA-N -1 1 321.442 3.648 20 0 DHADMM CCOc1cc(C(=O)N2CCC[C@H]2C(C)C)cc(Cl)c1[O-] ZINC000273946522 130188768 /nfs/dbraw/zinc/18/87/68/130188768.db2.gz LKVYBOYFWOHLOW-ZDUSSCGKSA-N -1 1 311.809 3.705 20 0 DHADMM CC(=O)Nc1ccc([O-])c(-c2nc([C@@H]3CCC[C@@H](C)C3)no2)c1 ZINC000273987325 130195734 /nfs/dbraw/zinc/19/57/34/130195734.db2.gz SHMSVFOPWGAOQS-ZYHUDNBSSA-N -1 1 315.373 3.694 20 0 DHADMM CC(C)(C)c1nsc([N-]C(=O)c2sccc2Cl)n1 ZINC000285246550 131151256 /nfs/dbraw/zinc/15/12/56/131151256.db2.gz GXTGGASQBMHCLJ-UHFFFAOYSA-N -1 1 301.824 3.803 20 0 DHADMM C[C@H]1C(=O)CC[C@@H](c2nc(-c3ccc([O-])cc3F)no2)C1(C)C ZINC000289181966 131363979 /nfs/dbraw/zinc/36/39/79/131363979.db2.gz WJEYOLFKJHMDPD-CABZTGNLSA-N -1 1 318.348 3.690 20 0 DHADMM C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1c(F)ccc([O-])c1F ZINC000289572820 131397148 /nfs/dbraw/zinc/39/71/48/131397148.db2.gz JPOJVYVCPYGPJA-AAEUAGOBSA-N -1 1 317.335 3.689 20 0 DHADMM CSc1ccc([O-])c(C(=O)Nc2n[nH]c(C(C)C)c2C)c1 ZINC000622122157 430609347 /nfs/dbraw/zinc/60/93/47/430609347.db2.gz AMYFRQQLVFNZJV-UHFFFAOYSA-N -1 1 305.403 3.521 20 0 DHADMM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ncccc2F)cc1 ZINC000180264302 331565413 /nfs/dbraw/zinc/56/54/13/331565413.db2.gz UWERMYNZYJVGPN-UHFFFAOYSA-N -1 1 322.405 3.610 20 0 DHADMM O=C(/C=C\c1ccc(Cl)nc1)Nc1ccc([O-])c(Cl)c1 ZINC000255546115 331767855 /nfs/dbraw/zinc/76/78/55/331767855.db2.gz NLKSCTLWEWHRIS-KXFIGUGUSA-N -1 1 309.152 3.746 20 0 DHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2cc(C)c(C)cc2C)o1 ZINC000426776794 332123505 /nfs/dbraw/zinc/12/35/05/332123505.db2.gz ZZQOBHGGGHBUIL-INIZCTEOSA-N -1 1 301.386 3.819 20 0 DHADMM CCc1ccc([C@@H]2CCCN2Cc2cc(C(=O)[O-])oc2C)o1 ZINC000569583610 332146714 /nfs/dbraw/zinc/14/67/14/332146714.db2.gz VBRLJZJIUBQQQS-AWEZNQCLSA-N -1 1 303.358 3.779 20 0 DHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2cccc(OC(C)C)c2)o1 ZINC000426810660 332152172 /nfs/dbraw/zinc/15/21/72/332152172.db2.gz PTMQEVRGGSNHHD-MRXNPFEDSA-N -1 1 317.385 3.681 20 0 DHADMM Cc1cc([C@H](NCc2ccccc2F)C(=O)[O-])ccc1Cl ZINC000426786395 332153180 /nfs/dbraw/zinc/15/31/80/332153180.db2.gz VFURQGSQCISQJS-HNNXBMFYSA-N -1 1 307.752 3.703 20 0 DHADMM CCCSC[C@H](NCc1ccc(C(C)(C)C)s1)C(=O)[O-] ZINC000426788580 332153719 /nfs/dbraw/zinc/15/37/19/332153719.db2.gz NVVGVNJBCLTNSH-LBPRGKRZSA-N -1 1 315.504 3.732 20 0 DHADMM CCc1ccc([C@@H](NCc2ccccc2Cl)C(=O)[O-])cc1 ZINC000426816271 332157329 /nfs/dbraw/zinc/15/73/29/332157329.db2.gz JTSFBMMFBSLBMY-MRXNPFEDSA-N -1 1 303.789 3.818 20 0 DHADMM CCc1ccc([C@H](NCc2ccc(F)cc2Cl)C(=O)[O-])cc1 ZINC000426815590 332157407 /nfs/dbraw/zinc/15/74/07/332157407.db2.gz GGWVHTQNRKMBON-INIZCTEOSA-N -1 1 321.779 3.957 20 0 DHADMM CC(C)C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000048664337 332305439 /nfs/dbraw/zinc/30/54/39/332305439.db2.gz NIRHUVLLBUECCQ-UHFFFAOYSA-N -1 1 316.637 3.581 20 0 DHADMM Cc1cccc([C@H]2CCCCCN2C(=O)c2ncccc2[O-])c1 ZINC000427453251 332429212 /nfs/dbraw/zinc/42/92/12/332429212.db2.gz OLTGAZPEQMGVKP-MRXNPFEDSA-N -1 1 310.397 3.853 20 0 DHADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)cc1 ZINC000448074955 332494258 /nfs/dbraw/zinc/49/42/58/332494258.db2.gz QXODQBCXBWQJCG-LLVKDONJSA-N -1 1 323.389 3.846 20 0 DHADMM CC1(C)CCN(C(=O)c2ccc3ccccc3c2[O-])CCS1 ZINC000317917542 332555466 /nfs/dbraw/zinc/55/54/66/332555466.db2.gz VGYAVENDVMKZBM-UHFFFAOYSA-N -1 1 315.438 3.903 20 0 DHADMM CC[C@]1(C)CCCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000443323367 332590426 /nfs/dbraw/zinc/59/04/26/332590426.db2.gz REOHIFKICPPBGL-MRXNPFEDSA-N -1 1 311.809 3.707 20 0 DHADMM O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(O)cc1[O-] ZINC000318259089 332635289 /nfs/dbraw/zinc/63/52/89/332635289.db2.gz CCJSKJDMSRGQPG-UHFFFAOYSA-N -1 1 315.222 3.508 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCc2ccccc21 ZINC000180359089 333027833 /nfs/dbraw/zinc/02/78/33/333027833.db2.gz RSVQBNWKCKLQBP-UHFFFAOYSA-N -1 1 307.271 3.614 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCc2c1cccc2F ZINC000183737428 333062463 /nfs/dbraw/zinc/06/24/63/333062463.db2.gz UWRAXNVLDDCUJA-UHFFFAOYSA-N -1 1 307.324 3.887 20 0 DHADMM C[C@@H](c1ncc(-c2ccccc2)o1)N1CCC(CC(=O)[O-])CC1 ZINC000580319560 333146908 /nfs/dbraw/zinc/14/69/08/333146908.db2.gz PNDOMQCZDRLHAB-ZDUSSCGKSA-N -1 1 314.385 3.589 20 0 DHADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc2ncccc12 ZINC000188115853 333159756 /nfs/dbraw/zinc/15/97/56/333159756.db2.gz RGIWKPBMXULQAZ-UHFFFAOYSA-N -1 1 312.394 3.598 20 0 DHADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@@H]2CCC[C@H]21 ZINC000120523470 333289840 /nfs/dbraw/zinc/28/98/40/333289840.db2.gz GTFJNHIERRBGND-GXFFZTMASA-N -1 1 324.218 3.559 20 0 DHADMM CC(C)c1cccc(OCC(=O)Nc2ccc(F)cc2[O-])c1 ZINC000531756026 333553740 /nfs/dbraw/zinc/55/37/40/333553740.db2.gz JWOVURLBRXKRTJ-UHFFFAOYSA-N -1 1 303.333 3.672 20 0 DHADMM O=C(NC1(c2ccc(Cl)cc2)CC1)c1ccc([O-])cc1F ZINC000436878703 334013823 /nfs/dbraw/zinc/01/38/23/334013823.db2.gz HCNSVLIJWGBYLK-UHFFFAOYSA-N -1 1 305.736 3.604 20 0 DHADMM CC(=O)Nc1ccc([O-])c(-c2nc([C@H]3CCCC[C@H]3C)no2)c1 ZINC000273850978 334052177 /nfs/dbraw/zinc/05/21/77/334052177.db2.gz LMDYJJOYGXOWIP-MFKMUULPSA-N -1 1 315.373 3.694 20 0 DHADMM CC[C@H]1C[C@H](c2nc(-c3ccc([O-])cc3Cl)no2)CCO1 ZINC000278272122 334094190 /nfs/dbraw/zinc/09/41/90/334094190.db2.gz VSDMPBOTTFKIQA-KOLCDFICSA-N -1 1 308.765 3.768 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1C ZINC000048429975 334286162 /nfs/dbraw/zinc/28/61/62/334286162.db2.gz GARRHGNHJFIJHO-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM COc1cc(C(=O)N2CC[C@H](C)C[C@H](C)C2)cc(Cl)c1[O-] ZINC000443061806 338442667 /nfs/dbraw/zinc/44/26/67/338442667.db2.gz KEWFGYAUUUFTIK-QWRGUYRKSA-N -1 1 311.809 3.562 20 0 DHADMM CC(C)n1c2ccccc2nc1-c1[nH]nc2cc(C(=O)[O-])ccc21 ZINC000535024233 334356679 /nfs/dbraw/zinc/35/66/79/334356679.db2.gz QBKCXYYTBSGBTG-UHFFFAOYSA-N -1 1 320.352 3.859 20 0 DHADMM CC[C@@H](C)Oc1ccc(-c2nc(=O)c3sccc3[n-]2)cc1 ZINC000112118838 334361869 /nfs/dbraw/zinc/36/18/69/334361869.db2.gz ZYTWGFFGRUOTBC-SNVBAGLBSA-N -1 1 300.383 3.829 20 0 DHADMM CC(C)(C)Oc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000532012769 334373872 /nfs/dbraw/zinc/37/38/72/334373872.db2.gz FSAJVFMADVAACZ-UHFFFAOYSA-N -1 1 303.333 3.961 20 0 DHADMM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1cncs1 ZINC000342894098 334587238 /nfs/dbraw/zinc/58/72/38/334587238.db2.gz VFRZUILRFDWURL-UHFFFAOYSA-N -1 1 322.802 3.567 20 0 DHADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)c1 ZINC000102195839 334599298 /nfs/dbraw/zinc/59/92/98/334599298.db2.gz ZMWQKRZZZLPCJT-UHFFFAOYSA-N -1 1 321.373 3.528 20 0 DHADMM Cc1cnc(C(=O)N2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)c([O-])c1 ZINC000331136541 334838695 /nfs/dbraw/zinc/83/86/95/334838695.db2.gz IULKBDDKEQBHQK-IIAWOOMASA-N -1 1 310.397 3.502 20 0 DHADMM [O-]c1ccc(-c2noc(-c3ccc4c(n3)CCCC4)n2)cc1F ZINC000445476235 338495982 /nfs/dbraw/zinc/49/59/82/338495982.db2.gz ABDQFNNVOVZBAP-UHFFFAOYSA-N -1 1 311.316 3.522 20 0 DHADMM Cc1ccc2oc(-c3nc(-c4ccc([O-])c(F)c4)no3)cc2n1 ZINC000445484253 338496573 /nfs/dbraw/zinc/49/65/73/338496573.db2.gz WWKQVHKOONQKTI-UHFFFAOYSA-N -1 1 311.272 3.698 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3ccc(Cl)cc3)n2)cc1F ZINC000445484838 338496761 /nfs/dbraw/zinc/49/67/61/338496761.db2.gz XMFCFUCCSZBGFU-UHFFFAOYSA-N -1 1 304.708 3.826 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1cnc(-c2ccccc2)s1 ZINC000532267490 335927735 /nfs/dbraw/zinc/92/77/35/335927735.db2.gz YTBFTTPNTXAOTM-UHFFFAOYSA-N -1 1 314.341 3.907 20 0 DHADMM CN(CCOc1ccccc1)C(=O)c1ccc2ccccc2c1[O-] ZINC000018072978 335948049 /nfs/dbraw/zinc/94/80/49/335948049.db2.gz APDJMLCOHSGPMR-UHFFFAOYSA-N -1 1 321.376 3.696 20 0 DHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1sccc1Cl ZINC000351304604 336026905 /nfs/dbraw/zinc/02/69/05/336026905.db2.gz PTZTXWHZYMWBFN-UHFFFAOYSA-N -1 1 319.773 3.750 20 0 DHADMM CSC1(CNC(=O)c2cc3ccccc3cc2[O-])CCC1 ZINC000228639101 336036229 /nfs/dbraw/zinc/03/62/29/336036229.db2.gz KCWMRZOPKGYBCE-UHFFFAOYSA-N -1 1 301.411 3.561 20 0 DHADMM Cc1ccc([C@H]2CCCCN2C(=O)C(=O)c2ccc([O-])cc2)cc1 ZINC000331391778 336134580 /nfs/dbraw/zinc/13/45/80/336134580.db2.gz LXKSLSIXAKSMNX-GOSISDBHSA-N -1 1 323.392 3.637 20 0 DHADMM O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1c[nH]c2ccccc2c1=O ZINC000332794398 336185042 /nfs/dbraw/zinc/18/50/42/336185042.db2.gz HNTXWHWRJZDIRD-QLFBSQMISA-N -1 1 324.424 3.617 20 0 DHADMM COc1ccc([C@H]2CCCN2Cc2cc(O)cc(F)c2)cc1 ZINC000351997587 336187197 /nfs/dbraw/zinc/18/71/97/336187197.db2.gz VEHZJFJXSZYOMC-GOSISDBHSA-N -1 1 301.361 3.877 20 0 DHADMM Cc1cnc(-c2nc(=O)c3c4c(sc3[n-]2)CCCC4)s1 ZINC000333111283 336198100 /nfs/dbraw/zinc/19/81/00/336198100.db2.gz FAJBDVAJGQXUGH-UHFFFAOYSA-N -1 1 303.412 3.708 20 0 DHADMM O=S(=O)([N-]c1cc(F)ccc1F)c1cc(F)ccc1Cl ZINC000103057805 336237453 /nfs/dbraw/zinc/23/74/53/336237453.db2.gz ZWZZPIQKSDPRCW-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM Cc1nc(-c2ccc(N[C@H]3CCCC[C@H]3C)nc2)[n-]c(=O)c1C ZINC000301181687 336293669 /nfs/dbraw/zinc/29/36/69/336293669.db2.gz PJSOADXLQNYABU-ABAIWWIYSA-N -1 1 312.417 3.852 20 0 DHADMM Cc1nc(-c2ccc(N[C@H]3CCCC[C@@H]3C)nc2)[n-]c(=O)c1C ZINC000301181691 336293749 /nfs/dbraw/zinc/29/37/49/336293749.db2.gz PJSOADXLQNYABU-NHYWBVRUSA-N -1 1 312.417 3.852 20 0 DHADMM CCCn1cc([N-]c2nn3cc(C4CCCC4)nc3s2)cn1 ZINC000302570096 336361856 /nfs/dbraw/zinc/36/18/56/336361856.db2.gz YOFNHDHHIBBMGZ-UHFFFAOYSA-N -1 1 316.434 3.799 20 0 DHADMM CC(C)(C)c1ncc(CN[C@@H](CC(=O)[O-])c2ccsc2)s1 ZINC000354356826 336468052 /nfs/dbraw/zinc/46/80/52/336468052.db2.gz GKERRBIMVWDTSM-LBPRGKRZSA-N -1 1 324.471 3.808 20 0 DHADMM COc1cc(C(=O)N2CC(C)(C)[C@@H]3CCC[C@H]32)cc(Cl)c1[O-] ZINC000360232581 336705473 /nfs/dbraw/zinc/70/54/73/336705473.db2.gz CPHBZGJESOQMKM-DGCLKSJQSA-N -1 1 323.820 3.705 20 0 DHADMM C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000117991801 336861629 /nfs/dbraw/zinc/86/16/29/336861629.db2.gz JZHBMIPBAHIWKK-VFZGTOFNSA-N -1 1 303.745 3.549 20 0 DHADMM O=C(N[C@H]1CC[C@@H](c2ccccc2F)C1)c1ccc([O-])cc1F ZINC000369537561 336866647 /nfs/dbraw/zinc/86/66/47/336866647.db2.gz RUEYTDKBFFAVSM-NEPJUHHUSA-N -1 1 317.335 3.737 20 0 DHADMM Cc1noc([C@@H]([N-]c2nc3cc(F)ccc3o2)c2ccccc2)n1 ZINC000371639035 336909697 /nfs/dbraw/zinc/90/96/97/336909697.db2.gz AVCRNNCLXQPQDX-HNNXBMFYSA-N -1 1 324.315 3.860 20 0 DHADMM O=C(NCc1cccc(-c2cccnc2)c1)c1ccc([O-])cc1F ZINC000376883609 337043238 /nfs/dbraw/zinc/04/32/38/337043238.db2.gz KTHPIJORNMHWIS-UHFFFAOYSA-N -1 1 322.339 3.523 20 0 DHADMM Cc1cc(C(=O)Nc2cc(C)cc(Br)c2[O-])c(C)o1 ZINC000182906284 337190652 /nfs/dbraw/zinc/19/06/52/337190652.db2.gz BDOATYXXGBIREH-UHFFFAOYSA-N -1 1 324.174 3.925 20 0 DHADMM CCCc1nc(=NC(=O)Nc2csc3ccccc23)s[n-]1 ZINC000583053016 337230284 /nfs/dbraw/zinc/23/02/84/337230284.db2.gz OOFBUSPNZPQAGH-UHFFFAOYSA-N -1 1 318.427 3.771 20 0 DHADMM O=C(NCCSc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000023956669 337254438 /nfs/dbraw/zinc/25/44/38/337254438.db2.gz SYJZXMMENGQKGO-UHFFFAOYSA-N -1 1 307.802 3.568 20 0 DHADMM Oc1cc(F)cc(CN2CCC(OCC3CCCC3)CC2)c1 ZINC000186254767 337254941 /nfs/dbraw/zinc/25/49/41/337254941.db2.gz CCUKMOCMYAVRNH-UHFFFAOYSA-N -1 1 307.409 3.703 20 0 DHADMM CCC[C@H](CC)S(=O)(=O)[N-]c1cc(Cl)cc(C)c1O ZINC000583805675 337335278 /nfs/dbraw/zinc/33/52/78/337335278.db2.gz SQSMBRFJKHOYNK-NSHDSACASA-N -1 1 305.827 3.674 20 0 DHADMM O=S(=O)(Cc1ccc(Cl)c(Cl)c1)c1ccc([O-])cc1 ZINC000049489021 337438726 /nfs/dbraw/zinc/43/87/26/337438726.db2.gz KMESGHWRBXAQDB-UHFFFAOYSA-N -1 1 317.193 3.673 20 0 DHADMM C[C@@H](Sc1ccccn1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000135904690 337453099 /nfs/dbraw/zinc/45/30/99/337453099.db2.gz YSYNZGJLAFOMGH-SECBINFHSA-N -1 1 308.790 3.560 20 0 DHADMM CSc1nsc([N-]C(=O)c2occc2-c2ccccc2)n1 ZINC000078566340 337602031 /nfs/dbraw/zinc/60/20/31/337602031.db2.gz LDHLXJPHQNKHDE-UHFFFAOYSA-N -1 1 317.395 3.772 20 0 DHADMM [O-]c1ccc(-c2noc(/C=C\c3cccc(O)c3)n2)c(Cl)c1 ZINC000445446546 337844819 /nfs/dbraw/zinc/84/48/19/337844819.db2.gz MEPSYYXKEJYWHB-DAXSKMNVSA-N -1 1 314.728 3.972 20 0 DHADMM [O-]c1ccc(-c2noc(C3(c4ccc(F)cc4)CC3)n2)c(F)c1 ZINC000445456062 338017383 /nfs/dbraw/zinc/01/73/83/338017383.db2.gz MVSJOJAJWSNRHX-UHFFFAOYSA-N -1 1 314.291 3.800 20 0 DHADMM [O-]c1ccc(-c2noc(C/C=C\c3ccccc3F)n2)c(F)c1 ZINC000445459301 338018319 /nfs/dbraw/zinc/01/83/19/338018319.db2.gz ZMAOPVPZPZFWPI-HYXAFXHYSA-N -1 1 314.291 3.976 20 0 DHADMM [O-]c1ccc(-c2noc([C@H]3Cc4ccccc4S3)n2)c(F)c1 ZINC000445460715 338020769 /nfs/dbraw/zinc/02/07/69/338020769.db2.gz CKCRPQWSFQSDMG-CQSZACIVSA-N -1 1 314.341 3.971 20 0 DHADMM O=C([O-])C[C@@H](NCc1ccc(Cl)cc1F)c1ccsc1 ZINC000426678322 338037893 /nfs/dbraw/zinc/03/78/93/338037893.db2.gz PJXJYZGJUOISIT-CYBMUJFWSA-N -1 1 313.781 3.846 20 0 DHADMM CCc1cc(=O)[n-]c(SCCCC(=O)c2ccc(F)cc2)n1 ZINC000428703384 338058878 /nfs/dbraw/zinc/05/88/78/338058878.db2.gz YJMXBIIFEXXMHI-UHFFFAOYSA-N -1 1 320.389 3.639 20 0 DHADMM COC(=O)c1c[n-]c(SCc2ccc(C3CCC3)cc2)n1 ZINC000432657469 338161796 /nfs/dbraw/zinc/16/17/96/338161796.db2.gz MBROMFQXVAOLET-UHFFFAOYSA-N -1 1 302.399 3.756 20 0 DHADMM CCc1cccc(S(=O)(=O)[N-]c2ccc3[nH]c(C)cc3c2)c1 ZINC000433497304 338195868 /nfs/dbraw/zinc/19/58/68/338195868.db2.gz JJPXNSNMLSZFHB-UHFFFAOYSA-N -1 1 314.410 3.840 20 0 DHADMM COc1cc(C)c([N-]S(=O)(=O)c2cc(C)cc(F)c2)cc1C ZINC000435727692 338246434 /nfs/dbraw/zinc/24/64/34/338246434.db2.gz DSCUKCIPONIHTC-UHFFFAOYSA-N -1 1 323.389 3.560 20 0 DHADMM CCc1ccccc1S(=O)(=O)[N-]c1cc2[nH]ccc2cc1C ZINC000436177123 338260713 /nfs/dbraw/zinc/26/07/13/338260713.db2.gz JRIQMMNIZASYMD-UHFFFAOYSA-N -1 1 314.410 3.840 20 0 DHADMM CCc1cc(=O)[n-]c(SC[C@@H]2CCc3ccccc3C2)n1 ZINC000436212684 338262132 /nfs/dbraw/zinc/26/21/32/338262132.db2.gz WMLXSWAPZUTWPJ-GFCCVEGCSA-N -1 1 300.427 3.642 20 0 DHADMM CC[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)c1ccccc1 ZINC000436244036 338263188 /nfs/dbraw/zinc/26/31/88/338263188.db2.gz JEPFDPMGYZWAJP-AWEZNQCLSA-N -1 1 314.410 3.813 20 0 DHADMM C=Cc1ccc(S(=O)(=O)[N-]c2ccccc2SC)cc1 ZINC000436477178 338273589 /nfs/dbraw/zinc/27/35/89/338273589.db2.gz HGXJVKIXZNPUAJ-UHFFFAOYSA-N -1 1 305.424 3.852 20 0 DHADMM CCOc1cc(-c2nc(-c3ccco3)no2)cc(Cl)c1[O-] ZINC000436511205 338274622 /nfs/dbraw/zinc/27/46/22/338274622.db2.gz GRHUSSMFWNZYKO-UHFFFAOYSA-N -1 1 306.705 3.754 20 0 DHADMM CSc1ccccc1[C@H](C)NC(=O)c1c([O-])cccc1F ZINC000436519764 338274916 /nfs/dbraw/zinc/27/49/16/338274916.db2.gz BDKYBYOHWFRNGK-JTQLQIEISA-N -1 1 305.374 3.744 20 0 DHADMM CO[C@@H]1CCC[C@@H](c2nc(-c3ccc([O-])cc3Cl)no2)C1 ZINC000436520885 338275011 /nfs/dbraw/zinc/27/50/11/338275011.db2.gz JROJNMSWDMLQMP-MWLCHTKSSA-N -1 1 308.765 3.768 20 0 DHADMM O=C(NCc1ccc2ccccc2n1)c1ccc(Cl)cc1[O-] ZINC000436528589 338275392 /nfs/dbraw/zinc/27/53/92/338275392.db2.gz OXDLEKADCAFTMW-UHFFFAOYSA-N -1 1 312.756 3.524 20 0 DHADMM O=C(NCc1ccc(-c2ccncc2)cc1)c1cc(F)ccc1[O-] ZINC000436533459 338275630 /nfs/dbraw/zinc/27/56/30/338275630.db2.gz JHYDOAMKYDRRLS-UHFFFAOYSA-N -1 1 322.339 3.523 20 0 DHADMM O=C(NCc1cnc2ccccc2c1)c1ccc(Cl)cc1[O-] ZINC000436543360 338276281 /nfs/dbraw/zinc/27/62/81/338276281.db2.gz FFBNDNWNIGDVBZ-UHFFFAOYSA-N -1 1 312.756 3.524 20 0 DHADMM O=C(N[C@@H]1CCc2c1cccc2O)c1ccc2ccccc2c1[O-] ZINC000436543250 338276310 /nfs/dbraw/zinc/27/63/10/338276310.db2.gz DFGLVEQMKLQQFH-QGZVFWFLSA-N -1 1 319.360 3.668 20 0 DHADMM CCS[C@@H]1CCCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000436546417 338276555 /nfs/dbraw/zinc/27/65/55/338276555.db2.gz OMWOXVJXALLUTD-GFCCVEGCSA-N -1 1 313.850 3.793 20 0 DHADMM O=C(Nc1ccc(F)cc1OCC1CC1)c1cc(F)ccc1[O-] ZINC000436564491 338277210 /nfs/dbraw/zinc/27/72/10/338277210.db2.gz OZBFUXGCWBFAJF-UHFFFAOYSA-N -1 1 319.307 3.712 20 0 DHADMM CCCCCOC1CN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000436572349 338277833 /nfs/dbraw/zinc/27/78/33/338277833.db2.gz FLHICBURUWMIFD-UHFFFAOYSA-N -1 1 313.397 3.577 20 0 DHADMM O=C(N[C@@H]1CC[C@H](c2ccccc2F)C1)c1c([O-])cccc1F ZINC000436594072 338279182 /nfs/dbraw/zinc/27/91/82/338279182.db2.gz FPDFEQRQOARBSY-NWDGAFQWSA-N -1 1 317.335 3.737 20 0 DHADMM CC1(C)CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@H]1C1CC1 ZINC000436596879 338279339 /nfs/dbraw/zinc/27/93/39/338279339.db2.gz NZXJYTMEJSKFDJ-ZDUSSCGKSA-N -1 1 313.319 3.672 20 0 DHADMM Cc1cc2[nH]ncc2cc1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436608169 338279852 /nfs/dbraw/zinc/27/98/52/338279852.db2.gz PNVPKEREAHETFY-UHFFFAOYSA-N -1 1 319.723 3.622 20 0 DHADMM CC1=C(c2ccco2)CN(C(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000436622143 338280375 /nfs/dbraw/zinc/28/03/75/338280375.db2.gz BOXGHJWGGADBAG-UHFFFAOYSA-N -1 1 317.772 3.958 20 0 DHADMM CC[C@@H](C)Oc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)ccn1 ZINC000436631000 338280660 /nfs/dbraw/zinc/28/06/60/338280660.db2.gz RMXFZHIWKVCEER-SNVBAGLBSA-N -1 1 320.776 3.870 20 0 DHADMM CC[C@@H](C)n1nc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1C ZINC000436632110 338280701 /nfs/dbraw/zinc/28/07/01/338280701.db2.gz YAIYBIKEEADDAK-SECBINFHSA-N -1 1 307.781 3.774 20 0 DHADMM C[C@H](CNC(=O)c1ccc(Cl)cc1[O-])c1ccc(F)cc1 ZINC000436725602 338284265 /nfs/dbraw/zinc/28/42/65/338284265.db2.gz YBNYXGCKVZZCAV-SNVBAGLBSA-N -1 1 307.752 3.718 20 0 DHADMM O=C(NC1CC(C(F)(F)F)C1)c1ccc2ccccc2c1[O-] ZINC000436741671 338285011 /nfs/dbraw/zinc/28/50/11/338285011.db2.gz TYRKBYHPGXRVBC-UHFFFAOYSA-N -1 1 309.287 3.616 20 0 DHADMM C/C=C/c1ccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000436743921 338285176 /nfs/dbraw/zinc/28/51/76/338285176.db2.gz ICZVQDBZRPXERB-ONEGZZNKSA-N -1 1 310.353 3.636 20 0 DHADMM CC(C)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000436751953 338285450 /nfs/dbraw/zinc/28/54/50/338285450.db2.gz OYQFITNPDPVBFH-UHFFFAOYSA-N -1 1 315.335 3.919 20 0 DHADMM Cc1ccc([C@@H](C)N(C)C(=O)c2cc(F)ccc2[O-])c(C)c1 ZINC000436755280 338285515 /nfs/dbraw/zinc/28/55/15/338285515.db2.gz MRCQNDVORZTLOU-CYBMUJFWSA-N -1 1 301.361 3.981 20 0 DHADMM COCc1ccc(CNC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000436754226 338285583 /nfs/dbraw/zinc/28/55/83/338285583.db2.gz IFJDWYPPADNEEZ-UHFFFAOYSA-N -1 1 321.376 3.622 20 0 DHADMM Cc1cc(C(=O)Nc2ccc(F)cc2[O-])nn1C1CCCCC1 ZINC000436753523 338285649 /nfs/dbraw/zinc/28/56/49/338285649.db2.gz VUDSAZCJEMTWBD-UHFFFAOYSA-N -1 1 317.364 3.794 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N(Cc1ccc(Cl)cc1)C1CC1 ZINC000436761108 338286254 /nfs/dbraw/zinc/28/62/54/338286254.db2.gz HVZSYMNEHFVADP-UHFFFAOYSA-N -1 1 319.763 3.990 20 0 DHADMM CC[C@H](CSC)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436769929 338286555 /nfs/dbraw/zinc/28/65/55/338286555.db2.gz PESGBXPVQFLGLZ-SNVBAGLBSA-N -1 1 321.364 3.625 20 0 DHADMM C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1ccc([O-])cc1F ZINC000436786319 338287325 /nfs/dbraw/zinc/28/73/25/338287325.db2.gz XILWJNCFWWOJDD-HIFRSBDPSA-N -1 1 313.372 3.940 20 0 DHADMM COc1ccc(C(=O)Nc2cccc(OCC(C)C)c2)c([O-])c1 ZINC000436798625 338287830 /nfs/dbraw/zinc/28/78/30/338287830.db2.gz UUARVOJFODEFRD-UHFFFAOYSA-N -1 1 315.369 3.688 20 0 DHADMM Cc1cccc(CN(C)C(=O)c2ccc(Cl)cc2[O-])c1C ZINC000436802397 338288017 /nfs/dbraw/zinc/28/80/17/338288017.db2.gz HTDGXGRVUDTCMF-UHFFFAOYSA-N -1 1 303.789 3.935 20 0 DHADMM CC(C)(C)Oc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])nc1 ZINC000436819023 338288465 /nfs/dbraw/zinc/28/84/65/338288465.db2.gz MASLAKCFPVXHCD-UHFFFAOYSA-N -1 1 320.776 3.870 20 0 DHADMM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000436827442 338288829 /nfs/dbraw/zinc/28/88/29/338288829.db2.gz NUUGRLSTAWLSHV-YGRLFVJLSA-N -1 1 323.314 3.958 20 0 DHADMM CN(CCc1ccccc1O)C(=O)c1cc2ccccc2cc1[O-] ZINC000436834815 338289135 /nfs/dbraw/zinc/28/91/35/338289135.db2.gz RAIZQIKALXDHKV-UHFFFAOYSA-N -1 1 321.376 3.566 20 0 DHADMM CCC(CC)N(CC)C(=O)c1cc(Br)ccc1[O-] ZINC000436852562 338289895 /nfs/dbraw/zinc/28/98/95/338289895.db2.gz ITAKRDSMTGKCTD-UHFFFAOYSA-N -1 1 314.223 3.805 20 0 DHADMM Cc1ncsc1/C=C/c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436876226 338291225 /nfs/dbraw/zinc/29/12/25/338291225.db2.gz XHJXBSVIDZTUEB-SNAWJCMRSA-N -1 1 303.318 3.517 20 0 DHADMM C[C@H]1CC[C@H](N(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000436879573 338291472 /nfs/dbraw/zinc/29/14/72/338291472.db2.gz XNAACXRUIHDCOS-ONGXEEELSA-N -1 1 301.308 3.672 20 0 DHADMM C[C@H](OCc1ccccc1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000436880816 338291541 /nfs/dbraw/zinc/29/15/41/338291541.db2.gz SNOJIIIHPPJXQH-NSHDSACASA-N -1 1 314.316 3.859 20 0 DHADMM [O-]c1ccc(Oc2ccccc2)cc1-c1nc([C@H]2CCOC2)no1 ZINC000436889455 338291966 /nfs/dbraw/zinc/29/19/66/338291966.db2.gz BVTHLGIPWYYZHH-LBPRGKRZSA-N -1 1 324.336 3.738 20 0 DHADMM CN(C)c1cccc(CNC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436902550 338292674 /nfs/dbraw/zinc/29/26/74/338292674.db2.gz QIXFRPLMWVKHSY-UHFFFAOYSA-N -1 1 320.392 3.541 20 0 DHADMM C[C@H](CNC(=O)c1ccc2ccccc2c1[O-])Oc1ccccc1 ZINC000436913107 338293261 /nfs/dbraw/zinc/29/32/61/338293261.db2.gz YEBYYSOEDZYOGW-CQSZACIVSA-N -1 1 321.376 3.743 20 0 DHADMM CCCCCN(CCCOC)C(=O)c1ccc(Cl)cc1[O-] ZINC000436917751 338293273 /nfs/dbraw/zinc/29/32/73/338293273.db2.gz YTHGKXVAVKJNSN-UHFFFAOYSA-N -1 1 313.825 3.715 20 0 DHADMM CC(C)c1ccc2c(c1)[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)CC2 ZINC000436929692 338293973 /nfs/dbraw/zinc/29/39/73/338293973.db2.gz DCBCKXMCRLPTEX-SFHVURJKSA-N -1 1 323.392 3.502 20 0 DHADMM O=C(NCC1(Sc2ccccc2)CC1)c1c([O-])cccc1F ZINC000436954736 338295662 /nfs/dbraw/zinc/29/56/62/338295662.db2.gz ASGRXGSTHWEIKQ-UHFFFAOYSA-N -1 1 317.385 3.586 20 0 DHADMM COc1ccc([C@@H](C)NC(=O)c2ccc(Cl)cc2[O-])cc1F ZINC000437001102 338297360 /nfs/dbraw/zinc/29/73/60/338297360.db2.gz JTZYVWBOXKNXMM-SECBINFHSA-N -1 1 323.751 3.684 20 0 DHADMM CO[C@H](CNC(=O)c1cc2ccccc2cc1[O-])c1ccccc1 ZINC000437003577 338297582 /nfs/dbraw/zinc/29/75/82/338297582.db2.gz KIKPEEUHSPOSLV-LJQANCHMSA-N -1 1 321.376 3.663 20 0 DHADMM CCCOc1cccc([N-]S(=O)(=O)c2cccc(F)c2C)c1 ZINC000438803691 338352313 /nfs/dbraw/zinc/35/23/13/338352313.db2.gz HBBLXKDYUDQQFD-UHFFFAOYSA-N -1 1 323.389 3.724 20 0 DHADMM CC[C@H](C)[C@@H](NC(=O)c1cncc([O-])c1)c1ccc(Cl)cc1 ZINC000440036220 338382817 /nfs/dbraw/zinc/38/28/17/338382817.db2.gz AHXRXQWESRECQP-MEDUHNTESA-N -1 1 318.804 3.958 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1OC(C)C ZINC000447275678 338547984 /nfs/dbraw/zinc/54/79/84/338547984.db2.gz UUXCNTPQXHPVIY-UHFFFAOYSA-N -1 1 323.389 3.722 20 0 DHADMM O=C(Nc1ccc(Oc2ccncc2)cc1)c1ccc(O)cc1[O-] ZINC000195164777 338853622 /nfs/dbraw/zinc/85/36/22/338853622.db2.gz RMNQVZURDNCMQS-UHFFFAOYSA-N -1 1 322.320 3.537 20 0 DHADMM CCCOc1cc(C)ccc1NC(=O)c1ccc(OC)cc1[O-] ZINC000195699547 338914296 /nfs/dbraw/zinc/91/42/96/338914296.db2.gz LEJOMDOJJMYCTA-UHFFFAOYSA-N -1 1 315.369 3.750 20 0 DHADMM Cc1cnc(C(=O)N(C)[C@H]2CCC[C@@H]2c2ccccc2)c([O-])c1 ZINC000458018850 338986132 /nfs/dbraw/zinc/98/61/32/338986132.db2.gz DHBRZLKOPZFHKJ-CVEARBPZSA-N -1 1 310.397 3.504 20 0 DHADMM CN(C(=O)c1cc(F)ccc1[O-])[C@H]1CCC[C@H]1c1ccccc1 ZINC000458035558 338986613 /nfs/dbraw/zinc/98/66/13/338986613.db2.gz YGWHGJNNQRQVPY-RDJZCZTQSA-N -1 1 313.372 3.940 20 0 DHADMM O=c1cc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)nc(C2CC2)[nH]1 ZINC000459283459 339019202 /nfs/dbraw/zinc/01/92/02/339019202.db2.gz FIMDMOUPFBYWOY-INIZCTEOSA-N -1 1 313.376 3.536 20 0 DHADMM Cc1cccc([C@H]2CCCCN2C(=O)c2ncccc2[O-])c1C ZINC000460197471 339024976 /nfs/dbraw/zinc/02/49/76/339024976.db2.gz OUDSTEHULHIENR-MRXNPFEDSA-N -1 1 310.397 3.771 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(CC(C)C)cc2)cc1O ZINC000462106259 339072212 /nfs/dbraw/zinc/07/22/12/339072212.db2.gz XNJWCQRXOPTXBX-UHFFFAOYSA-N -1 1 319.426 3.700 20 0 DHADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(C)c(C)c2)[nH]n1 ZINC000470491368 339320880 /nfs/dbraw/zinc/32/08/80/339320880.db2.gz FHPOEXZJHHSNNW-GFCCVEGCSA-N -1 1 321.446 3.731 20 0 DHADMM CCc1cccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000479532099 339539710 /nfs/dbraw/zinc/53/97/10/339539710.db2.gz WUFGMAWOVCIZPO-UHFFFAOYSA-N -1 1 318.423 3.660 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CC23CCCC3)c1 ZINC000482585426 339636840 /nfs/dbraw/zinc/63/68/40/339636840.db2.gz XWIMTPSVDUULCL-SNVBAGLBSA-N -1 1 324.218 3.982 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(F)cc2Cl)s1 ZINC000507595956 340225840 /nfs/dbraw/zinc/22/58/40/340225840.db2.gz MKLXLJNBKRGTMI-UHFFFAOYSA-N -1 1 319.810 3.958 20 0 DHADMM [O-]c1cccc(CN2CCOC[C@@H]2c2ccccc2)c1Cl ZINC000508790964 340253200 /nfs/dbraw/zinc/25/32/00/340253200.db2.gz VYDQAWYMGOPKIR-OAHLLOKOSA-N -1 1 303.789 3.619 20 0 DHADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)c1 ZINC000509104769 340261502 /nfs/dbraw/zinc/26/15/02/340261502.db2.gz YOSXTFYOVRHMCO-UHFFFAOYSA-N -1 1 323.439 3.532 20 0 DHADMM CC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC000172882313 340345489 /nfs/dbraw/zinc/34/54/89/340345489.db2.gz WMPOMDKKDSKQRI-UHFFFAOYSA-N -1 1 317.410 3.813 20 0 DHADMM COCc1cccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC000172884395 340345983 /nfs/dbraw/zinc/34/59/83/340345983.db2.gz NETNRVUCDPNIMR-UHFFFAOYSA-N -1 1 319.426 3.757 20 0 DHADMM CSc1cccc(C)c1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000185337979 340500101 /nfs/dbraw/zinc/50/01/01/340500101.db2.gz JRGGSPUQURIAQR-UHFFFAOYSA-N -1 1 307.440 3.826 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2ccccc2C(C)C)c(C)c1O ZINC000188948713 340523630 /nfs/dbraw/zinc/52/36/30/340523630.db2.gz ZCCRIBFTWFDYBZ-UHFFFAOYSA-N -1 1 319.426 3.933 20 0 DHADMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(OC)c1 ZINC000190723712 340546801 /nfs/dbraw/zinc/54/68/01/340546801.db2.gz KWNFHRCHTNHSOD-UHFFFAOYSA-N -1 1 323.389 3.588 20 0 DHADMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000032595496 340715497 /nfs/dbraw/zinc/71/54/97/340715497.db2.gz XIGNYLSOYDOTGN-UHFFFAOYSA-N -1 1 323.389 3.588 20 0 DHADMM CCO[C@H]1C[C@@H]1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529538702 340760957 /nfs/dbraw/zinc/76/09/57/340760957.db2.gz KDRVLMHUJVKLQK-FZMZJTMJSA-N -1 1 305.761 3.562 20 0 DHADMM C[C@H]1OCC[C@H]1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529539726 340761124 /nfs/dbraw/zinc/76/11/24/340761124.db2.gz SYBDCWCCTZYLBY-NXEZZACHSA-N -1 1 305.761 3.562 20 0 DHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)C1CCOCC1 ZINC000529539912 340761157 /nfs/dbraw/zinc/76/11/57/340761157.db2.gz BVLJWJMZVQFOST-UHFFFAOYSA-N -1 1 305.761 3.564 20 0 DHADMM Cc1nc(SCc2cccc(OC(F)F)c2)[n-]c(=O)c1C ZINC000538517023 340830691 /nfs/dbraw/zinc/83/06/91/340830691.db2.gz CMRKRVDJFYMLPY-UHFFFAOYSA-N -1 1 312.341 3.693 20 0 DHADMM Cc1cc(C)c(OCC(=O)Nc2ccc([O-])c(Cl)c2)c(C)c1 ZINC000540959486 340953388 /nfs/dbraw/zinc/95/33/88/340953388.db2.gz VMMNITCFTSKCQP-UHFFFAOYSA-N -1 1 319.788 3.988 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000543745544 341056427 /nfs/dbraw/zinc/05/64/27/341056427.db2.gz BJIRAWFJTAJZDN-CQSZACIVSA-N -1 1 324.163 3.641 20 0 DHADMM O=S(=O)([N-]c1cc(F)ccc1Cl)c1cccc(F)c1F ZINC000076195232 341203835 /nfs/dbraw/zinc/20/38/35/341203835.db2.gz XVFARGZQCVBCLS-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM COc1cc(C(=O)Nc2c(C)cccc2F)cc(Cl)c1[O-] ZINC000135245340 341234218 /nfs/dbraw/zinc/23/42/18/341234218.db2.gz OGPZHIUJHRSHPU-UHFFFAOYSA-N -1 1 309.724 3.754 20 0 DHADMM COc1ccc([C@H](C)NC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000080399606 341273408 /nfs/dbraw/zinc/27/34/08/341273408.db2.gz NKCRNHDLEHSFDH-JTQLQIEISA-N -1 1 305.761 3.545 20 0 DHADMM COc1cc(-c2nc(CC3CCCC3)no2)cc(Cl)c1[O-] ZINC000551160499 341332739 /nfs/dbraw/zinc/33/27/39/341332739.db2.gz SCWAYCJKBGMFJF-UHFFFAOYSA-N -1 1 308.765 3.837 20 0 DHADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(F)c2Cl)c1F ZINC000565973776 341544194 /nfs/dbraw/zinc/54/41/94/341544194.db2.gz SDZKIFZCCAEIDC-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM O=C(NCC1(c2ccc(Cl)cc2)CC1)c1ccc([O-])cc1F ZINC000154857448 341597001 /nfs/dbraw/zinc/59/70/01/341597001.db2.gz NTOBTIYZJFSGFQ-UHFFFAOYSA-N -1 1 319.763 3.646 20 0 DHADMM CCc1nc(S[C@H](C)c2nc(C(C)(C)C)no2)[n-]c(=O)c1C ZINC000568273465 341662858 /nfs/dbraw/zinc/66/28/58/341662858.db2.gz SEKIXFFLJUUIHW-SECBINFHSA-N -1 1 322.434 3.587 20 0 DHADMM O=C(Nc1ccc2nc(C3CC3)sc2c1)c1cncc([O-])c1 ZINC000171867725 341787034 /nfs/dbraw/zinc/78/70/34/341787034.db2.gz RCIQHWQUCKAHLT-UHFFFAOYSA-N -1 1 311.366 3.527 20 0 DHADMM CCCN(CC(C)C)C(=O)c1ccc(Br)c([O-])c1 ZINC000336785634 341806947 /nfs/dbraw/zinc/80/69/47/341806947.db2.gz ACRPRONQQDIJIL-UHFFFAOYSA-N -1 1 314.223 3.663 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3coc4ccccc34)n2)c(F)c1 ZINC000577984984 341963448 /nfs/dbraw/zinc/96/34/48/341963448.db2.gz IXBJDSJXMRKFGJ-UHFFFAOYSA-N -1 1 310.284 3.918 20 0 DHADMM COCCOc1ccccc1NCc1cccc([O-])c1Cl ZINC000339308800 521749112 /nfs/dbraw/zinc/74/91/12/521749112.db2.gz KSRWGNDFIFXZEN-UHFFFAOYSA-N -1 1 307.777 3.683 20 0 DHADMM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cncc([O-])c1 ZINC000111586324 522946813 /nfs/dbraw/zinc/94/68/13/522946813.db2.gz HFFDCVIETLUWMA-MSOLQXFVSA-N -1 1 310.397 3.586 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccncc1C(F)(F)F ZINC000354245731 527236253 /nfs/dbraw/zinc/23/62/53/527236253.db2.gz UNEKQYRMLQTAKL-UHFFFAOYSA-N -1 1 316.666 3.712 20 0 DHADMM CC(C)Oc1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000735913829 599230725 /nfs/dbraw/zinc/23/07/25/599230725.db2.gz RNGYDGZGMLWELE-UHFFFAOYSA-N -1 1 314.320 3.585 20 0 DHADMM CC(C)Oc1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1 ZINC000735913829 599230726 /nfs/dbraw/zinc/23/07/26/599230726.db2.gz RNGYDGZGMLWELE-UHFFFAOYSA-N -1 1 314.320 3.585 20 0 DHADMM CCCCCc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000821062562 607307508 /nfs/dbraw/zinc/30/75/08/607307508.db2.gz XWZVCZLLVHBKCK-UHFFFAOYSA-N -1 1 311.389 3.805 20 0 DHADMM CCCCCc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000821062562 607307509 /nfs/dbraw/zinc/30/75/09/607307509.db2.gz XWZVCZLLVHBKCK-UHFFFAOYSA-N -1 1 311.389 3.805 20 0 DHADMM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1nc2ccccc2s1 ZINC000820148127 598191865 /nfs/dbraw/zinc/19/18/65/598191865.db2.gz LDYXTGVWLUBPRO-LLVKDONJSA-N -1 1 312.394 3.845 20 0 DHADMM C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccc2ccccc2n1 ZINC000820148693 598192728 /nfs/dbraw/zinc/19/27/28/598192728.db2.gz RWZBRGRTRCCRFA-ZDUSSCGKSA-N -1 1 306.365 3.784 20 0 DHADMM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1cc(F)ccc1F ZINC000736663193 600421954 /nfs/dbraw/zinc/42/19/54/600421954.db2.gz WQDDDUFGPPPRIG-RFAUZJTJSA-N -1 1 309.287 3.580 20 0 DHADMM CCOc1ccccc1[C@H](C)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737213194 600430462 /nfs/dbraw/zinc/43/04/62/600430462.db2.gz NATVCHJEYHOYNR-SJCJKPOMSA-N -1 1 317.360 3.701 20 0 DHADMM C[C@@H]1SCCN(Cc2ccc(C(=O)[O-])o2)[C@H]1c1ccccc1 ZINC000569130643 600489972 /nfs/dbraw/zinc/48/99/72/600489972.db2.gz WWGWRCBMXOSQHW-BLLLJJGKSA-N -1 1 317.410 3.656 20 0 DHADMM C[C@@H]1SCCN(Cc2ccoc2C(=O)[O-])[C@H]1c1ccccc1 ZINC000573975337 600490007 /nfs/dbraw/zinc/49/00/07/600490007.db2.gz MZLPKNOMEWJRDN-SWLSCSKDSA-N -1 1 317.410 3.656 20 0 DHADMM CCCC[C@@H](Sc1nc(-c2ccc(C)cc2)n[nH]1)C(=O)[O-] ZINC000829296762 600833407 /nfs/dbraw/zinc/83/34/07/600833407.db2.gz YGTBAJQPKSEXTB-GFCCVEGCSA-N -1 1 305.403 3.516 20 0 DHADMM CCCC[C@H](Sc1nc(C=Cc2ccccc2)n[nH]1)C(=O)[O-] ZINC000829296686 600836234 /nfs/dbraw/zinc/83/62/34/600836234.db2.gz XCOPHQRXGPHOOO-OEYXZAGESA-N -1 1 317.414 3.711 20 0 DHADMM C[C@H]1C[C@H](c2ccccc2F)N(Cc2ccc(C(=O)[O-])o2)C1 ZINC000582425579 600839822 /nfs/dbraw/zinc/83/98/22/600839822.db2.gz DOXZMBGIRBRNTB-XHDPSFHLSA-N -1 1 303.333 3.700 20 0 DHADMM Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2cc(C(=O)[O-])co2)o1 ZINC000832931511 600858192 /nfs/dbraw/zinc/85/81/92/600858192.db2.gz ZFCALCUALVMVQX-NHYWBVRUSA-N -1 1 303.358 3.852 20 0 DHADMM C/C(=C\CN1CCC[C@@H]1c1cccc(Br)c1)C(=O)[O-] ZINC000825741266 601052192 /nfs/dbraw/zinc/05/21/92/601052192.db2.gz LEZAYZBOUJBSRI-DPQIITEBSA-N -1 1 324.218 3.617 20 0 DHADMM C/C(=C/CN1CCC[C@@H]1c1ccc(Br)cc1)C(=O)[O-] ZINC000825742447 601158138 /nfs/dbraw/zinc/15/81/38/601158138.db2.gz ZFGMHNFBACAWAF-KOTGUFOOSA-N -1 1 324.218 3.617 20 0 DHADMM Cc1cc([C@H](C)N[C@H](C(=O)[O-])c2ccccc2F)ccc1F ZINC000832878519 601370538 /nfs/dbraw/zinc/37/05/38/601370538.db2.gz XUVUJYJZOIUKQJ-ZBEGNZNMSA-N -1 1 305.324 3.750 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN(CC)[C@@H](C)c1cccc(O)c1 ZINC000830363313 601420323 /nfs/dbraw/zinc/42/03/23/601420323.db2.gz RIVFKGZOCPJHQN-LBPRGKRZSA-N -1 1 317.385 3.829 20 0 DHADMM O=C([O-])c1ccoc1CN1CCCC[C@H]1c1ccc(F)cc1 ZINC000833333402 601452262 /nfs/dbraw/zinc/45/22/62/601452262.db2.gz GJOOVPGBAKJMLW-HNNXBMFYSA-N -1 1 303.333 3.844 20 0 DHADMM Cc1ccc([C@@H]2CCCN2Cc2ccc(C(=O)[O-])c(F)c2)o1 ZINC000574413550 601640393 /nfs/dbraw/zinc/64/03/93/601640393.db2.gz KMZFOTVNCPNBBV-HNNXBMFYSA-N -1 1 303.333 3.762 20 0 DHADMM Cc1cccnc1[C@@H](NCc1ccc(C(=O)[O-])c(F)c1)C(C)C ZINC000832984227 601640623 /nfs/dbraw/zinc/64/06/23/601640623.db2.gz YRBIJKCGVWCVJM-INIZCTEOSA-N -1 1 316.376 3.714 20 0 DHADMM CC[C@H](SCc1ccnc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825160059 607533970 /nfs/dbraw/zinc/53/39/70/607533970.db2.gz XHFYAHHXPOTBAU-HNNXBMFYSA-N -1 1 311.414 3.646 20 0 DHADMM CC[C@H](SCc1ccnc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825160059 607533972 /nfs/dbraw/zinc/53/39/72/607533972.db2.gz XHFYAHHXPOTBAU-HNNXBMFYSA-N -1 1 311.414 3.646 20 0 DHADMM CC[C@@](C)(NCc1ccc(C(=O)[O-])s1)c1nc(C)cs1 ZINC000828693729 601962182 /nfs/dbraw/zinc/96/21/82/601962182.db2.gz ZQMZGXODIUEHIU-CQSZACIVSA-N -1 1 310.444 3.626 20 0 DHADMM C[C@H](Oc1ccc(CN2Cc3ccccc3[C@H]2C)cc1)C(=O)[O-] ZINC000833540144 604655488 /nfs/dbraw/zinc/65/54/88/604655488.db2.gz KGQOIAZEJQLOIN-KGLIPLIRSA-N -1 1 311.381 3.615 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN[C@@H](C)c1ccc(OC)c(F)c1 ZINC000833680264 605064992 /nfs/dbraw/zinc/06/49/92/605064992.db2.gz HGYMHCWCKIFZQK-JTQLQIEISA-N -1 1 321.348 3.539 20 0 DHADMM COc1ccc(C)cc1[C@H](C)NCc1ccc(C(=O)[O-])c(F)c1 ZINC000833731197 605065330 /nfs/dbraw/zinc/06/53/30/605065330.db2.gz VMMIZADVUIKQMG-LBPRGKRZSA-N -1 1 317.360 3.692 20 0 DHADMM CC(C)Oc1cccc([C@@H](C)NCc2ccoc2C(=O)[O-])c1 ZINC000833506580 605069746 /nfs/dbraw/zinc/06/97/46/605069746.db2.gz DCXUJIRAEAXYSH-GFCCVEGCSA-N -1 1 303.358 3.616 20 0 DHADMM CC[C@H](NCc1ccc(C(=O)[O-])c(F)c1)c1ccccc1OC ZINC000833644449 605079196 /nfs/dbraw/zinc/07/91/96/605079196.db2.gz PNLUMPOLNRNUKK-INIZCTEOSA-N -1 1 317.360 3.773 20 0 DHADMM C[C@@H](C(=O)[O-])[C@@H](NCc1c(F)cccc1F)c1ccccc1 ZINC000833406848 605676388 /nfs/dbraw/zinc/67/63/88/605676388.db2.gz KCRXPVLGAWJYOH-BDJLRTHQSA-N -1 1 305.324 3.516 20 0 DHADMM C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(F)cc1C(=O)[O-] ZINC000833606230 605703323 /nfs/dbraw/zinc/70/33/23/605703323.db2.gz OFEYPSKZIQPQEQ-MWLCHTKSSA-N -1 1 319.298 3.687 20 0 DHADMM O=C([O-])N[C@H]1C[C@H](NCc2ccc(F)cc2F)c2ccccc21 ZINC000834156517 605797592 /nfs/dbraw/zinc/79/75/92/605797592.db2.gz BGEVELVYSTYSTL-HOTGVXAUSA-N -1 1 318.323 3.508 20 0 DHADMM c1ccc2cc(Sc3cccc(-c4nnn[n-]4)n3)ccc2c1 ZINC000826517955 607895287 /nfs/dbraw/zinc/89/52/87/607895287.db2.gz WLRIFMYLQJUWRB-UHFFFAOYSA-N -1 1 305.366 3.566 20 0 DHADMM c1ccc2cc(Sc3cccc(-c4nn[n-]n4)n3)ccc2c1 ZINC000826517955 607895288 /nfs/dbraw/zinc/89/52/88/607895288.db2.gz WLRIFMYLQJUWRB-UHFFFAOYSA-N -1 1 305.366 3.566 20 0 DHADMM CCC[C@@H](C)C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000825233171 607930156 /nfs/dbraw/zinc/93/01/56/607930156.db2.gz NVIGPMPNMRWFIN-SECBINFHSA-N -1 1 321.450 3.600 20 0 DHADMM CCC[C@@H](C)C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000825233171 607930157 /nfs/dbraw/zinc/93/01/57/607930157.db2.gz NVIGPMPNMRWFIN-SECBINFHSA-N -1 1 321.450 3.600 20 0 DHADMM Clc1nsc(Nc2ccc(C3CC3)cc2)c1-c1nnn[n-]1 ZINC000826354511 608236763 /nfs/dbraw/zinc/23/67/63/608236763.db2.gz IECNVKSVHGRCOO-UHFFFAOYSA-N -1 1 318.793 3.598 20 0 DHADMM Clc1nsc(Nc2ccc(C3CC3)cc2)c1-c1nn[n-]n1 ZINC000826354511 608236764 /nfs/dbraw/zinc/23/67/64/608236764.db2.gz IECNVKSVHGRCOO-UHFFFAOYSA-N -1 1 318.793 3.598 20 0 DHADMM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)c2cncc([O-])c2)cc1 ZINC000339903192 1013047061 /nfs/dbraw/zinc/04/70/61/1013047061.db2.gz OOJLZXQCECUIAR-ZWKOTPCHSA-N -1 1 310.397 3.504 20 0 DHADMM CC(C)(C)[C@H](NC(=O)c1cncc([O-])c1)c1ccc(F)cc1F ZINC000339906152 1013053211 /nfs/dbraw/zinc/05/32/11/1013053211.db2.gz DDQVWXRCWHGYOX-OAHLLOKOSA-N -1 1 320.339 3.583 20 0 DHADMM CC(C)c1ccc(Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC001574418638 948781127 /nfs/dbraw/zinc/78/11/27/948781127.db2.gz ZGGDDBIEMJCBNG-UHFFFAOYSA-N -1 1 314.780 3.782 20 0 DHADMM CC(C)c1ccc(Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC001574418638 948781131 /nfs/dbraw/zinc/78/11/31/948781131.db2.gz ZGGDDBIEMJCBNG-UHFFFAOYSA-N -1 1 314.780 3.782 20 0 DHADMM O=C([O-])c1ccc(CNCc2cc(F)c(Cl)cc2F)s1 ZINC001595230524 949339649 /nfs/dbraw/zinc/33/96/49/949339649.db2.gz KYHHPLZHKYKCBF-UHFFFAOYSA-N -1 1 317.744 3.668 20 0 DHADMM CCCCN(Cc1ccccc1Cl)C(=O)c1cncc([O-])c1 ZINC000339930091 1013102776 /nfs/dbraw/zinc/10/27/76/1013102776.db2.gz FMTGWXITACJPRI-UHFFFAOYSA-N -1 1 318.804 3.883 20 0 DHADMM C[C@@H]1CN(Cc2ccc(Cl)cc2Cl)CC[C@H]1C(=O)[O-] ZINC000311357477 950732217 /nfs/dbraw/zinc/73/22/17/950732217.db2.gz AGPWRIMOAUUVAW-BXKDBHETSA-N -1 1 302.201 3.536 20 0 DHADMM Cc1cccc(F)c1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000180742086 1013139184 /nfs/dbraw/zinc/13/91/84/1013139184.db2.gz AYTLOXRKYOKHHM-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM CC(C)COc1ccccc1CNCc1ccccc1C(=O)[O-] ZINC000874045353 956104833 /nfs/dbraw/zinc/10/48/33/956104833.db2.gz WNQZFGYJGQQTFX-UHFFFAOYSA-N -1 1 313.397 3.709 20 0 DHADMM O=C([O-])c1ccc(CN[C@H]2CCCOc3ccc(F)cc32)s1 ZINC000903677825 956858298 /nfs/dbraw/zinc/85/82/98/956858298.db2.gz YFABLMBWJSGUEA-ZDUSSCGKSA-N -1 1 321.373 3.589 20 0 DHADMM C[C@]1(C(=O)[O-])CCCN(Cc2cccc(Cl)c2Cl)C1 ZINC000086783017 957986937 /nfs/dbraw/zinc/98/69/37/957986937.db2.gz ABZSZIBTZQKONQ-AWEZNQCLSA-N -1 1 302.201 3.680 20 0 DHADMM O=C([O-])c1cccc2c1CCN(Cc1ccc(C(F)F)cc1)C2 ZINC000391397025 972332983 /nfs/dbraw/zinc/33/29/83/972332983.db2.gz XCJIBWJVJAFISN-UHFFFAOYSA-N -1 1 317.335 3.881 20 0 DHADMM Cc1ccc(OC(F)F)c(CNCc2ccccc2C(=O)[O-])c1 ZINC001574378490 961100247 /nfs/dbraw/zinc/10/02/47/961100247.db2.gz PWKXUNTUMWLXBJ-UHFFFAOYSA-N -1 1 321.323 3.584 20 0 DHADMM C[C@H](Cc1ccccc1Cl)NC(=O)c1cccc([O-])c1F ZINC001625849948 1013234585 /nfs/dbraw/zinc/23/45/85/1013234585.db2.gz QVQZVOGOSLTCLY-SNVBAGLBSA-N -1 1 307.752 3.546 20 0 DHADMM Cc1cc([C@H](C)NC(=O)c2c(F)ccc([O-])c2F)c(C)s1 ZINC000280773694 1013347699 /nfs/dbraw/zinc/34/76/99/1013347699.db2.gz MRHIXGOSYXPXSM-QMMMGPOBSA-N -1 1 311.353 3.840 20 0 DHADMM CCN(CCCCC(=O)[O-])Cc1ccccc1Br ZINC000263559215 962727624 /nfs/dbraw/zinc/72/76/24/962727624.db2.gz ASVKHRRLQNZDTF-UHFFFAOYSA-N -1 1 314.223 3.526 20 0 DHADMM C[C@@H]1CCCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000652366784 1013382170 /nfs/dbraw/zinc/38/21/70/1013382170.db2.gz PEDDFXLFXWGXCT-GFCCVEGCSA-N -1 1 316.426 3.740 20 0 DHADMM C[C@H](NC(=O)c1c([O-])cccc1Cl)c1ccc(F)c(F)c1 ZINC000142926271 1013449081 /nfs/dbraw/zinc/44/90/81/1013449081.db2.gz ZJDQCWGYVXECME-QMMMGPOBSA-N -1 1 311.715 3.815 20 0 DHADMM CC(C)(C)[C@@H](NCc1ccc(C(=O)[O-])o1)c1ccc(F)cc1 ZINC000316617815 964032621 /nfs/dbraw/zinc/03/26/21/964032621.db2.gz BFNRBSLRLVGPAU-HNNXBMFYSA-N -1 1 305.349 3.994 20 0 DHADMM CCn1cc(CC(=O)Nc2ccc(F)cc2[O-])c2ccccc21 ZINC000340331242 1013497942 /nfs/dbraw/zinc/49/79/42/1013497942.db2.gz RBNQOCVFJYBCCC-UHFFFAOYSA-N -1 1 312.344 3.687 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1cc(-c2cccs2)on1 ZINC000340331897 1013500750 /nfs/dbraw/zinc/50/07/50/1013500750.db2.gz ZXEBDMZUQDOIOS-UHFFFAOYSA-N -1 1 304.302 3.500 20 0 DHADMM C[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)[C@H](C(=O)[O-])C1 ZINC000129314243 1013549691 /nfs/dbraw/zinc/54/96/91/1013549691.db2.gz AMKOSLROHVHQBD-RNCFNFMXSA-N -1 1 302.201 3.679 20 0 DHADMM COC1(c2noc(-c3cc(SC)ccc3[O-])n2)CCCCC1 ZINC000664896329 1013562525 /nfs/dbraw/zinc/56/25/25/1013562525.db2.gz QFWNQJBXNRAHBA-UHFFFAOYSA-N -1 1 320.414 3.970 20 0 DHADMM Cc1cc(F)c(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1F ZINC000683592940 1013701304 /nfs/dbraw/zinc/70/13/04/1013701304.db2.gz AQANWBGLRYUNLG-UHFFFAOYSA-N -1 1 306.243 3.835 20 0 DHADMM CCSc1ccc(-c2nc3cccc(F)c3c(=O)[n-]2)cc1 ZINC000683619307 1013755094 /nfs/dbraw/zinc/75/50/94/1013755094.db2.gz CPTCFHQDJYIMLM-UHFFFAOYSA-N -1 1 300.358 3.841 20 0 DHADMM CCOc1ccc(F)c([N-]C(=O)c2cc(C(C)(C)C)on2)c1F ZINC000536280116 1013778189 /nfs/dbraw/zinc/77/81/89/1013778189.db2.gz IGJAXZCTTZDJTM-UHFFFAOYSA-N -1 1 324.327 3.901 20 0 DHADMM CCCC[C@H](CCC)[N-]S(=O)(=O)c1cccc(F)c1F ZINC001210499497 1013887340 /nfs/dbraw/zinc/88/73/40/1013887340.db2.gz PPMXHOBBZRGQDZ-NSHDSACASA-N -1 1 305.390 3.602 20 0 DHADMM COc1cc(C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc(Cl)c1[O-] ZINC000334005401 1013888025 /nfs/dbraw/zinc/88/80/25/1013888025.db2.gz XZUXWMQWHFOIRH-GBIKHYSHSA-N -1 1 311.809 3.609 20 0 DHADMM O=C([O-])CCCCC[N@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC000634693375 1013996244 /nfs/dbraw/zinc/99/62/44/1013996244.db2.gz WRRSZHKMSOWBTB-UHFFFAOYSA-N -1 1 315.335 3.709 20 0 DHADMM O=C([O-])CCCCCN1CCc2ccc(C(F)(F)F)cc2C1 ZINC000634693375 1013996247 /nfs/dbraw/zinc/99/62/47/1013996247.db2.gz WRRSZHKMSOWBTB-UHFFFAOYSA-N -1 1 315.335 3.709 20 0 DHADMM CC[C@@H]1CCC[C@@H](C[N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)C1 ZINC000394528977 972717653 /nfs/dbraw/zinc/71/76/53/972717653.db2.gz VZRZSULVNGQRQW-RKVPGOIHSA-N -1 1 301.430 3.887 20 0 DHADMM COC(=O)c1ccncc1Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001210924800 1014088495 /nfs/dbraw/zinc/08/84/95/1014088495.db2.gz RTBSAWWZKSUUGS-UHFFFAOYSA-N -1 1 313.140 3.624 20 0 DHADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c(C)n1 ZINC000656183477 1014093541 /nfs/dbraw/zinc/09/35/41/1014093541.db2.gz XUHYHAFPIZOSKC-UHFFFAOYSA-N -1 1 324.833 3.769 20 0 DHADMM O=C(N[C@@H]1CC[C@@H](Cc2ccccc2)C1)c1ccc([O-])cc1F ZINC000189352726 1014179226 /nfs/dbraw/zinc/17/92/26/1014179226.db2.gz IPKYKBWGVAXYOR-LSDHHAIUSA-N -1 1 313.372 3.673 20 0 DHADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000563284738 974528584 /nfs/dbraw/zinc/52/85/84/974528584.db2.gz YWVLMVGFZIOEEM-BXKDBHETSA-N -1 1 319.323 3.949 20 0 DHADMM O=C([O-])c1ccc(CN(Cc2ccc(Cl)cc2)C2CC2)nc1 ZINC000563628561 974536963 /nfs/dbraw/zinc/53/69/63/974536963.db2.gz DBJJDBMNJXZSPT-UHFFFAOYSA-N -1 1 316.788 3.598 20 0 DHADMM CCN(CCc1nccs1)Cc1cccc(C(=O)[O-])c1Cl ZINC000571219858 974725715 /nfs/dbraw/zinc/72/57/15/974725715.db2.gz YVMZYXSAADYLTI-UHFFFAOYSA-N -1 1 324.833 3.559 20 0 DHADMM CN(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)CC1CCC1 ZINC000575412644 974799228 /nfs/dbraw/zinc/79/92/28/974799228.db2.gz IGVCUINBMCWULZ-UHFFFAOYSA-N -1 1 316.426 3.740 20 0 DHADMM CN(Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)C(C)(C)C ZINC000576114029 974808466 /nfs/dbraw/zinc/80/84/66/974808466.db2.gz HUPCIFCGAHGLEN-UHFFFAOYSA-N -1 1 304.415 3.739 20 0 DHADMM CC(C)CCc1nc(CN(CCC(=O)[O-])CC(C)C)cs1 ZINC000576590753 974818188 /nfs/dbraw/zinc/81/81/88/974818188.db2.gz DKBVHIPSQHDXNC-UHFFFAOYSA-N -1 1 312.479 3.664 20 0 DHADMM O=C([O-])CC1CCN(CCc2cc(Cl)ccc2Cl)CC1 ZINC000578242167 974851511 /nfs/dbraw/zinc/85/15/11/974851511.db2.gz LRJMULKCGBYTGI-UHFFFAOYSA-N -1 1 316.228 3.723 20 0 DHADMM CN(CCC1CC1)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000581949255 974918261 /nfs/dbraw/zinc/91/82/61/974918261.db2.gz VFDRBFBYFZRNKL-UHFFFAOYSA-N -1 1 316.426 3.740 20 0 DHADMM CCCCc1nc(CN2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cs1 ZINC000652499808 975562196 /nfs/dbraw/zinc/56/21/96/975562196.db2.gz NBTCXTNOYRINLS-CYBMUJFWSA-N -1 1 324.490 3.809 20 0 DHADMM Cc1cccc(C)c1[C@H]1CCCN1Cc1nc(C(=O)[O-])cs1 ZINC000656756273 975684546 /nfs/dbraw/zinc/68/45/46/975684546.db2.gz CTZZDXIIYSQQEJ-CQSZACIVSA-N -1 1 316.426 3.795 20 0 DHADMM CC(C)Oc1ccc([C@H](C)NCc2occc2C(=O)[O-])cc1 ZINC001591772920 975909241 /nfs/dbraw/zinc/90/92/41/975909241.db2.gz PERROZGVGNVNBR-LBPRGKRZSA-N -1 1 303.358 3.616 20 0 DHADMM Cc1cc(C)c(CN[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1C ZINC000683172333 976077988 /nfs/dbraw/zinc/07/79/88/976077988.db2.gz DEJSAJYDPACWLR-QGZVFWFLSA-N -1 1 319.351 3.806 20 0 DHADMM O=C([O-])[C@@H](NC/C=C/c1ccc(F)cc1)c1cc(F)ccc1F ZINC000683174688 976080536 /nfs/dbraw/zinc/08/05/36/976080536.db2.gz WPNJJVGXYFRSSF-PYKQWIPUSA-N -1 1 321.298 3.533 20 0 DHADMM [O-]c1ccc(F)cc1-c1nc(Cc2ccc(F)cc2Cl)no1 ZINC000317446507 1014365153 /nfs/dbraw/zinc/36/51/53/1014365153.db2.gz RZGRFGBKOJMYEL-UHFFFAOYSA-N -1 1 322.698 3.965 20 0 DHADMM O=C(Nc1cc(Br)ccc1F)c1ccccc1[O-] ZINC000036752735 1014380168 /nfs/dbraw/zinc/38/01/68/1014380168.db2.gz BIHIADWBXGCCLT-UHFFFAOYSA-N -1 1 310.122 3.546 20 0 DHADMM Cc1ccc(C)c(C(=O)CSc2nc(C(F)F)cc(=O)[n-]2)c1 ZINC000580862478 1014411037 /nfs/dbraw/zinc/41/10/37/1014411037.db2.gz YXOOGVSUTDKUCY-UHFFFAOYSA-N -1 1 324.352 3.712 20 0 DHADMM CCCCC[C@H]1CCCN1Cn1nc(C(=O)[O-])c(Cl)c1C ZINC000829347782 978997695 /nfs/dbraw/zinc/99/76/95/978997695.db2.gz MIIOQYBFXZGHKH-LBPRGKRZSA-N -1 1 313.829 3.545 20 0 DHADMM Cc1cc([C@@H](C)N2CCC[C@H](C(F)(F)F)C2)oc1C(=O)[O-] ZINC000872163279 980054990 /nfs/dbraw/zinc/05/49/90/980054990.db2.gz CAOQOUCYHZJRDM-ZJUUUORDSA-N -1 1 305.296 3.622 20 0 DHADMM CC[C@@H](N[C@H](C(=O)[O-])c1ccccc1F)c1ccccc1OC ZINC001595277633 980307253 /nfs/dbraw/zinc/30/72/53/980307253.db2.gz WUCXHUHVXWSKDO-WBVHZDCISA-N -1 1 317.360 3.701 20 0 DHADMM CC[C@@H](N[C@@H](C)c1cc(C(=O)[O-])co1)c1ccc(OC)cc1 ZINC001595278774 980313196 /nfs/dbraw/zinc/31/31/96/980313196.db2.gz IPHMSDQHDYGRQB-XHDPSFHLSA-N -1 1 303.358 3.788 20 0 DHADMM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1Cc1cc2cccnc2o1 ZINC000902048027 980713167 /nfs/dbraw/zinc/71/31/67/980713167.db2.gz WFXFAGZPOXBYIT-IRXDYDNUSA-N -1 1 322.364 3.618 20 0 DHADMM CC(C)(C)C[C@H](NCc1cc(C(=O)[O-])no1)c1ccc(F)cc1 ZINC000902123743 980745589 /nfs/dbraw/zinc/74/55/89/980745589.db2.gz MRNPLKBOMMSHDS-HNNXBMFYSA-N -1 1 320.364 3.779 20 0 DHADMM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCc1cc(C(=O)[O-])c(C)o1 ZINC000902133253 980751676 /nfs/dbraw/zinc/75/16/76/980751676.db2.gz WLGRMWRHLFDHED-HNNXBMFYSA-N -1 1 317.385 3.991 20 0 DHADMM O=C([O-])c1ccc(CN[C@H]2CCCc3ccc(Cl)cc32)o1 ZINC000902260201 980804073 /nfs/dbraw/zinc/80/40/73/980804073.db2.gz AIGFPMRHJRIOGP-AWEZNQCLSA-N -1 1 305.761 3.798 20 0 DHADMM C[C@@H](NCc1ccoc1C(=O)[O-])c1ccccc1C(F)(F)F ZINC000902313575 980829092 /nfs/dbraw/zinc/82/90/92/980829092.db2.gz RTPCSEJTHPEQBT-SECBINFHSA-N -1 1 313.275 3.847 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CNC1(c2cccc(F)c2)CCC1 ZINC000902372959 980860272 /nfs/dbraw/zinc/86/02/72/980860272.db2.gz NTXBLHUDQKGEHY-UHFFFAOYSA-N -1 1 303.333 3.594 20 0 DHADMM O=C([O-])/C=C/c1ccc(CN[C@H]2CCCc3ccc(F)cc32)o1 ZINC000902397175 980869442 /nfs/dbraw/zinc/86/94/42/980869442.db2.gz MRUKUCDYRDQGJI-IJDCCNJMSA-N -1 1 315.344 3.684 20 0 DHADMM Cc1ccccc1[C@]1(F)CCN(Cc2cc(C(=O)[O-])cs2)C1 ZINC000902453572 980894852 /nfs/dbraw/zinc/89/48/52/980894852.db2.gz SFHBRVDMNYBRNB-KRWDZBQOSA-N -1 1 319.401 3.825 20 0 DHADMM CCc1oc(CN[C@H](C)COCC2CCCCC2)cc1C(=O)[O-] ZINC000902572200 980939032 /nfs/dbraw/zinc/93/90/32/980939032.db2.gz JXVCWCIIAPJGGS-CYBMUJFWSA-N -1 1 323.433 3.615 20 0 DHADMM O=C([O-])[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@H](CF)C1 ZINC000903607870 980988731 /nfs/dbraw/zinc/98/87/31/980988731.db2.gz NQURHMRAFSJWHG-NOZJJQNGSA-N -1 1 320.191 3.801 20 0 DHADMM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC[C@H](CF)C1 ZINC000903608074 980989350 /nfs/dbraw/zinc/98/93/50/980989350.db2.gz RKKPVAZPVTYHFB-NOZJJQNGSA-N -1 1 320.191 3.801 20 0 DHADMM CC(C)[C@H](NCc1ccc(C(=O)[O-])cn1)c1ccccc1Cl ZINC000905724540 981123434 /nfs/dbraw/zinc/12/34/34/981123434.db2.gz LWQAEEGZHULSRR-INIZCTEOSA-N -1 1 318.804 3.920 20 0 DHADMM Cc1cccnc1[C@H](NCc1ccoc1C(=O)[O-])C(C)(C)C ZINC000905800189 981157705 /nfs/dbraw/zinc/15/77/05/981157705.db2.gz VGVBBNNGFQOSOV-HNNXBMFYSA-N -1 1 302.374 3.558 20 0 DHADMM Cc1cc2[n-]c(CCCOc3ccc(F)cc3)nc(=O)c2s1 ZINC000656491010 1014723475 /nfs/dbraw/zinc/72/34/75/1014723475.db2.gz IXNHRLVBYVEJKS-UHFFFAOYSA-N -1 1 318.373 3.856 20 0 DHADMM COc1ccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)cc1C ZINC000442842069 1014749384 /nfs/dbraw/zinc/74/93/84/1014749384.db2.gz BBQGMEKNEHBBFN-UHFFFAOYSA-N -1 1 317.366 3.551 20 0 DHADMM COc1cc(C(=O)N2CCCC[C@H]2C(C)C)cc(Cl)c1[O-] ZINC000442964180 1014778519 /nfs/dbraw/zinc/77/85/19/1014778519.db2.gz JYRRJTPOJPOWGE-ZDUSSCGKSA-N -1 1 311.809 3.705 20 0 DHADMM CSC[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000092762381 1014818625 /nfs/dbraw/zinc/81/86/25/1014818625.db2.gz INYWJZFMMCGLAE-CYBMUJFWSA-N -1 1 301.411 3.513 20 0 DHADMM COc1cc(C(=O)N2CCC(C(C)C)CC2)cc(Cl)c1[O-] ZINC000443289525 1014863328 /nfs/dbraw/zinc/86/33/28/1014863328.db2.gz CYZFWMFYAXNITC-UHFFFAOYSA-N -1 1 311.809 3.562 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1cc(Br)cs1 ZINC000608367409 1014961202 /nfs/dbraw/zinc/96/12/02/1014961202.db2.gz QGICZTFDTLVAIB-UHFFFAOYSA-N -1 1 316.151 3.608 20 0 DHADMM COc1ccc(OC(C)C)c(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000094123218 1015022107 /nfs/dbraw/zinc/02/21/07/1015022107.db2.gz WGZFVIKOWYALGA-UHFFFAOYSA-N -1 1 319.332 3.579 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1csc(Br)c1 ZINC000605439948 1015042921 /nfs/dbraw/zinc/04/29/21/1015042921.db2.gz YXFHXFCOWWGKDW-UHFFFAOYSA-N -1 1 316.151 3.608 20 0 DHADMM Cc1ccc([C@@H]2CCN(C(=O)c3ccc([O-])c(F)c3)C2)c(C)c1 ZINC000684337407 1015061838 /nfs/dbraw/zinc/06/18/38/1015061838.db2.gz CJWPKSQZLSMFMM-OAHLLOKOSA-N -1 1 313.372 3.778 20 0 DHADMM O=C(N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)c1ccc([O-])c(F)c1 ZINC000684351648 1015096717 /nfs/dbraw/zinc/09/67/17/1015096717.db2.gz NPXRMMHFICBSCK-IUODEOHRSA-N -1 1 317.335 3.737 20 0 DHADMM O=C(N[C@H]1CC[C@H](c2ccc(F)cc2)C1)c1ccc([O-])c(F)c1 ZINC000684351650 1015098000 /nfs/dbraw/zinc/09/80/00/1015098000.db2.gz NPXRMMHFICBSCK-WFASDCNBSA-N -1 1 317.335 3.737 20 0 DHADMM O=S(=O)([N-]c1cc(F)ccc1Cl)c1cc(F)ccc1F ZINC000076195296 1015102007 /nfs/dbraw/zinc/10/20/07/1015102007.db2.gz AYRSHQBZJRDVIA-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM CCc1ccc(C)nc1[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000656738068 1015109247 /nfs/dbraw/zinc/10/92/47/1015109247.db2.gz QQNHPLMAMCWBPY-UHFFFAOYSA-N -1 1 324.833 3.548 20 0 DHADMM Cc1nc(-c2ccc(NCC[C@@H]3CC[C@H]4C[C@H]43)nc2)[n-]c(=O)c1C ZINC000895429217 1015145876 /nfs/dbraw/zinc/14/58/76/1015145876.db2.gz LOTZQMZYBGNDKG-DZKIICNBSA-N -1 1 324.428 3.709 20 0 DHADMM Cc1nc(-c2ccc(NCC[C@@H]3CC[C@@H]4C[C@@H]43)nc2)[n-]c(=O)c1C ZINC000895429221 1015146632 /nfs/dbraw/zinc/14/66/32/1015146632.db2.gz LOTZQMZYBGNDKG-SQWLQELKSA-N -1 1 324.428 3.709 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N1CC[C@H](c2cccc(F)c2)C1 ZINC000729540667 1015166407 /nfs/dbraw/zinc/16/64/07/1015166407.db2.gz KJAWFICFFAXZHW-LBPRGKRZSA-N -1 1 319.763 3.814 20 0 DHADMM Cc1ccc(CSc2nc(C3CC3)cc(=O)[n-]2)c(Cl)n1 ZINC000840207025 1015179600 /nfs/dbraw/zinc/17/96/00/1015179600.db2.gz QDMWKABFEOISAJ-UHFFFAOYSA-N -1 1 307.806 3.709 20 0 DHADMM C[C@H]1CN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)[C@@H]1c1ccccc1 ZINC001594533155 986136425 /nfs/dbraw/zinc/13/64/25/986136425.db2.gz AUSCIAUHGRANGO-SGTLLEGYSA-N -1 1 310.397 3.783 20 0 DHADMM C[C@@H]1CN(Cc2cc(C(=O)[O-])c3n2CCCC3)[C@@H]1c1ccccc1 ZINC001594537616 986161254 /nfs/dbraw/zinc/16/12/54/986161254.db2.gz WOKYSESDNWBHNT-KUHUBIRLSA-N -1 1 324.424 3.716 20 0 DHADMM CSCc1cccc(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000581693573 1015233671 /nfs/dbraw/zinc/23/36/71/1015233671.db2.gz FPHGZWBWJLHDIW-UHFFFAOYSA-N -1 1 309.337 3.786 20 0 DHADMM C[C@@H]1Oc2ccccc2[C@@H]1NCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001594655477 986890762 /nfs/dbraw/zinc/89/07/62/986890762.db2.gz RSFMHLLEOVOJSM-MGPLVRAMSA-N -1 1 317.772 3.650 20 0 DHADMM CCOc1cccc([C@@H](C)NCc2cc(C(=O)[O-])ccc2F)c1 ZINC001597148491 986912116 /nfs/dbraw/zinc/91/21/16/986912116.db2.gz BTYGKVUJHZYNJY-GFCCVEGCSA-N -1 1 317.360 3.773 20 0 DHADMM CCOc1cccc([C@H](C)NCc2cc(C(=O)[O-])ccc2F)c1 ZINC001597148492 986912266 /nfs/dbraw/zinc/91/22/66/986912266.db2.gz BTYGKVUJHZYNJY-LBPRGKRZSA-N -1 1 317.360 3.773 20 0 DHADMM CCOc1ccccc1CN[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001597172127 987001938 /nfs/dbraw/zinc/00/19/38/987001938.db2.gz DMJOVIDRPNGEEL-INIZCTEOSA-N -1 1 319.788 3.654 20 0 DHADMM CCSc1cccc(CNCc2ccc(C(=O)[O-])cc2F)c1 ZINC001597277108 987332884 /nfs/dbraw/zinc/33/28/84/987332884.db2.gz GKASMWRBCOGHDX-UHFFFAOYSA-N -1 1 319.401 3.926 20 0 DHADMM CCSc1cccc(CN[C@@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001597277201 987334091 /nfs/dbraw/zinc/33/40/91/987334091.db2.gz JMZFQDTUKLOZLG-NSHDSACASA-N -1 1 305.399 3.941 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2ccccc2SC)cc1 ZINC000008105993 1015308572 /nfs/dbraw/zinc/30/85/72/1015308572.db2.gz BIEAUNCRLHAPMG-UHFFFAOYSA-N -1 1 307.440 3.772 20 0 DHADMM CC[C@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1ccc(F)cc1 ZINC001597349510 987486060 /nfs/dbraw/zinc/48/60/60/987486060.db2.gz MMGYVLBIDZUFPV-JKSUJKDBSA-N -1 1 305.324 3.831 20 0 DHADMM CCc1[nH]c(C[N@H+]2CCC[C@H]2c2ccccc2C)cc1C(=O)[O-] ZINC001597386719 987607410 /nfs/dbraw/zinc/60/74/10/987607410.db2.gz NPEPPEVPHXFSAD-SFHVURJKSA-N -1 1 312.413 3.921 20 0 DHADMM CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc(Cl)ccc1O ZINC001597464372 987897268 /nfs/dbraw/zinc/89/72/68/987897268.db2.gz IPZCZDUVAFAYQB-UHFFFAOYSA-N -1 1 319.744 3.559 20 0 DHADMM CCc1ccc(C2=CCN(Cc3cccc(C(=O)[O-])n3)CC2)cc1 ZINC001597518644 988139689 /nfs/dbraw/zinc/13/96/89/988139689.db2.gz XIPDDYSNZRHHBZ-UHFFFAOYSA-N -1 1 322.408 3.632 20 0 DHADMM CSCc1cccc(CNCc2ccc(/C=C/C(=O)[O-])o2)c1 ZINC001599802945 988206683 /nfs/dbraw/zinc/20/66/83/988206683.db2.gz BOVBNGMOMBLDBF-BQYQJAHWSA-N -1 1 317.410 3.530 20 0 DHADMM CCc1cccc(F)c1CN1CCc2cccc(C(=O)[O-])c2C1 ZINC001597592343 988418647 /nfs/dbraw/zinc/41/86/47/988418647.db2.gz FFASOJGKTHVICY-UHFFFAOYSA-N -1 1 313.372 3.645 20 0 DHADMM CN(C(=O)c1ccc2ccc(O)cc2c1[O-])C(C1CC1)C1CC1 ZINC000896003436 1015409574 /nfs/dbraw/zinc/40/95/74/1015409574.db2.gz SPRBWOSDPCYQAA-UHFFFAOYSA-N -1 1 311.381 3.512 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cnc(CC4CC4)s3)n2)cc1F ZINC000896225391 1015511044 /nfs/dbraw/zinc/51/10/44/1015511044.db2.gz ZEUGHFBVKFOAKD-UHFFFAOYSA-N -1 1 317.345 3.657 20 0 DHADMM CCON(Cc1ccccc1)C(=O)c1cc(SC)ccc1[O-] ZINC001141891834 1015578022 /nfs/dbraw/zinc/57/80/22/1015578022.db2.gz KYHQKHXFNRQPRE-UHFFFAOYSA-N -1 1 317.410 3.708 20 0 DHADMM COc1cccc([C@H](NCc2ccc(C)cc2Cl)C(=O)[O-])c1 ZINC001599687805 991015657 /nfs/dbraw/zinc/01/56/57/991015657.db2.gz DJZJGFSAHQOJJM-INIZCTEOSA-N -1 1 319.788 3.573 20 0 DHADMM O=C(N[C@@H]1CC[C@H](c2cccc(F)c2)C1)c1ccc([O-])c(F)c1 ZINC000684513558 1015623631 /nfs/dbraw/zinc/62/36/31/1015623631.db2.gz HQPAHNQJGFNOPY-SWLSCSKDSA-N -1 1 317.335 3.737 20 0 DHADMM COc1ccc(-c2nc(-c3nccc4ccccc43)no2)c([O-])c1 ZINC000034417028 1015629894 /nfs/dbraw/zinc/62/98/94/1015629894.db2.gz OSKGQIVOLLJIIH-UHFFFAOYSA-N -1 1 319.320 3.666 20 0 DHADMM COc1ccccc1[C@@H](C)NCc1cc(C(=O)[O-])c(C(C)C)[nH]1 ZINC001599718489 991497120 /nfs/dbraw/zinc/49/71/20/991497120.db2.gz DISQHVIXCKQQGC-GFCCVEGCSA-N -1 1 316.401 3.696 20 0 DHADMM CC(C)[C@H]1N([C@H](C)c2ncc(C(=O)[O-])s2)CC12CC=CC2 ZINC001591099731 991714754 /nfs/dbraw/zinc/71/47/54/991714754.db2.gz NYGSKBLXQAMFBQ-DGCLKSJQSA-N -1 1 306.431 3.579 20 0 DHADMM CC(C)Cc1ccccc1CN(C)Cc1ccc(C(=O)[O-])cn1 ZINC001591490981 992626208 /nfs/dbraw/zinc/62/62/08/992626208.db2.gz QNKRBIGUJVIMJS-UHFFFAOYSA-N -1 1 312.413 3.610 20 0 DHADMM CN(Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)CC(C)(C)C ZINC001598532885 992807762 /nfs/dbraw/zinc/80/77/62/992807762.db2.gz FTCGMPAHGMCHIC-UHFFFAOYSA-N -1 1 302.374 3.518 20 0 DHADMM CC(C)N(Cc1ccc(/C=C\C(=O)[O-])o1)Cc1ccc(F)cc1 ZINC001591596527 992822486 /nfs/dbraw/zinc/82/24/86/992822486.db2.gz HCDXNVNDZPOJDS-KTKRTIGZSA-N -1 1 317.360 3.927 20 0 DHADMM COc1ccc(CO)cc1Nc1c(Cl)ccc([O-])c1Cl ZINC001211527151 1015758473 /nfs/dbraw/zinc/75/84/73/1015758473.db2.gz PANWHWRVYYGDKA-UHFFFAOYSA-N -1 1 314.168 3.944 20 0 DHADMM CC(C)[C@@H](CNC(=O)c1c(F)ccc([O-])c1F)c1ccccc1 ZINC000280879685 1015805014 /nfs/dbraw/zinc/80/50/14/1015805014.db2.gz YOETUDZCDMGLOP-CYBMUJFWSA-N -1 1 319.351 3.840 20 0 DHADMM COc1ccc([C@@H](C)N[C@@H](C)c2cc(C(=O)[O-])co2)cc1C ZINC001599620829 994080915 /nfs/dbraw/zinc/08/09/15/994080915.db2.gz TZZWDFHLOMZZFB-NEPJUHHUSA-N -1 1 303.358 3.707 20 0 DHADMM C[C@@H](NCc1ccc(C(C)(F)F)cc1)c1cc(C(=O)[O-])co1 ZINC001593295161 994688340 /nfs/dbraw/zinc/68/83/40/994688340.db2.gz AHTAYWGRDNCVHC-SNVBAGLBSA-N -1 1 309.312 3.940 20 0 DHADMM C[C@@H](NCc1occc1C(=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC001593317903 994824360 /nfs/dbraw/zinc/82/43/60/994824360.db2.gz WZYGPKAKFLXVDA-CYBMUJFWSA-N -1 1 322.364 3.891 20 0 DHADMM Cc1coc(-c2ccc(C)c(NC(=O)c3ccccc3[O-])c2)n1 ZINC000151419819 1016041562 /nfs/dbraw/zinc/04/15/62/1016041562.db2.gz NESNMEBDPTXPPG-UHFFFAOYSA-N -1 1 308.337 3.916 20 0 DHADMM COc1ccc(C(=O)[O-])cc1CN[C@H](C)c1ccc(Cl)cc1 ZINC001599500188 997102925 /nfs/dbraw/zinc/10/29/25/997102925.db2.gz GKIRCNOEFFAINL-LLVKDONJSA-N -1 1 319.788 3.898 20 0 DHADMM CC(=O)[C@@H](C)CCSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000657256682 1016119059 /nfs/dbraw/zinc/11/90/59/1016119059.db2.gz DUHLRVKFSINWFL-NSHDSACASA-N -1 1 316.426 3.865 20 0 DHADMM CCc1nc(SCc2cc(OC(C)C)ccn2)[n-]c(=O)c1C ZINC000657264289 1016138565 /nfs/dbraw/zinc/13/85/65/1016138565.db2.gz OKHJTTNZGLNIMM-UHFFFAOYSA-N -1 1 319.430 3.528 20 0 DHADMM CCc1oc2ccccc2c1CNCc1ccc(C(=O)[O-])c(C)n1 ZINC000277348231 1016234188 /nfs/dbraw/zinc/23/41/88/1016234188.db2.gz PFCRZGSVVRNWBZ-UHFFFAOYSA-N -1 1 324.380 3.687 20 0 DHADMM Cc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)s1 ZINC000277401389 1016287547 /nfs/dbraw/zinc/28/75/47/1016287547.db2.gz RXLCASPQFWDACE-AWEZNQCLSA-N -1 1 311.353 3.640 20 0 DHADMM CO[C@H](CN[C@H](C)c1cc(C(=O)[O-])co1)c1ccccc1Cl ZINC001599054633 999220999 /nfs/dbraw/zinc/22/09/99/999220999.db2.gz XNKWJWRSCKZJRA-MEBBXXQBSA-N -1 1 323.776 3.670 20 0 DHADMM C[C@@H]1CCN(Cc2ccc(/C=C/C(=O)[O-])o2)[C@H](c2ccco2)C1 ZINC001594423972 999585478 /nfs/dbraw/zinc/58/54/78/999585478.db2.gz NIOVRZGMPKEYNK-BLRPHBDSSA-N -1 1 315.369 3.944 20 0 DHADMM CCC[C@H](C)CCC[N@H+]1CCC[C@@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934269157 1016340535 /nfs/dbraw/zinc/34/05/35/1016340535.db2.gz DUMDCWHTGGMDCL-UONOGXRCSA-N -1 1 307.438 3.544 20 0 DHADMM CCC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000684760510 1016389276 /nfs/dbraw/zinc/38/92/76/1016389276.db2.gz TZIKISFUUQNBMG-SSDOTTSWSA-N -1 1 314.209 3.599 20 0 DHADMM Cc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)no1 ZINC000281287791 1016449783 /nfs/dbraw/zinc/44/97/83/1016449783.db2.gz XWNSAXQYPCXODS-UHFFFAOYSA-N -1 1 301.371 3.629 20 0 DHADMM CC1(C)CCc2ccccc2[C@H](NC(=O)c2cncc([O-])c2)C1 ZINC000622582386 1016471704 /nfs/dbraw/zinc/47/17/04/1016471704.db2.gz QFMMYLMZPYQHDJ-QGZVFWFLSA-N -1 1 310.397 3.621 20 0 DHADMM CC(C)c1ncc(NC(=O)c2cc3ccccc3cc2[O-])cn1 ZINC000622575853 1016478650 /nfs/dbraw/zinc/47/86/50/1016478650.db2.gz DQPILGZVRLLMIR-UHFFFAOYSA-N -1 1 307.353 3.711 20 0 DHADMM CCc1cnc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)s1 ZINC000684875095 1016765658 /nfs/dbraw/zinc/76/56/58/1016765658.db2.gz DNMNVJDFSUNHKQ-UHFFFAOYSA-N -1 1 316.304 3.682 20 0 DHADMM Cc1cc(C)c([N-]S(=O)(=O)c2cccc(F)c2C)c(C)c1 ZINC000174648422 1016832980 /nfs/dbraw/zinc/83/29/80/1016832980.db2.gz SGQGYAXUHUBDMX-UHFFFAOYSA-N -1 1 307.390 3.860 20 0 DHADMM O=C(Nc1c([O-])cccc1F)C(F)(F)c1ccc(Cl)cc1 ZINC001146491591 1032225553 /nfs/dbraw/zinc/22/55/53/1032225553.db2.gz FAXQXRLOZNLNBK-UHFFFAOYSA-N -1 1 315.678 3.915 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1cc(Cl)nc(C2CC2)c1 ZINC001146491951 1032226038 /nfs/dbraw/zinc/22/60/38/1032226038.db2.gz HCCMMUJCFWECEJ-UHFFFAOYSA-N -1 1 306.724 3.709 20 0 DHADMM CSc1cc(C)nc(SC)c1[N-]C(=O)c1cncc(C)c1 ZINC001147395529 1032305119 /nfs/dbraw/zinc/30/51/19/1032305119.db2.gz SFEQPBPZVBQUTQ-UHFFFAOYSA-N -1 1 319.455 3.790 20 0 DHADMM Cc1ccc2nc(C(=O)[N-]c3nnc(C(C)(C)C)o3)sc2c1 ZINC001147554563 1032320361 /nfs/dbraw/zinc/32/03/61/1032320361.db2.gz VOOGPBQGJTTXDW-UHFFFAOYSA-N -1 1 316.386 3.538 20 0 DHADMM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccc([O-])c1F ZINC001147923231 1032352536 /nfs/dbraw/zinc/35/25/36/1032352536.db2.gz MDHCAGDKAFPONY-OAHLLOKOSA-N -1 1 319.351 3.668 20 0 DHADMM Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])c(O)c1 ZINC001148500363 1032409421 /nfs/dbraw/zinc/40/94/21/1032409421.db2.gz MKANTXRHHGXSRP-UHFFFAOYSA-N -1 1 311.259 3.677 20 0 DHADMM Cc1cccc(N)c1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001148800912 1032446418 /nfs/dbraw/zinc/44/64/18/1032446418.db2.gz MYYMSYNQJUYGRU-UHFFFAOYSA-N -1 1 310.275 3.554 20 0 DHADMM CCCCCn1nc(C)cc1NC(=O)c1ccc(CC)cc1[O-] ZINC001149004466 1032457065 /nfs/dbraw/zinc/45/70/65/1032457065.db2.gz NCALILXJMHPUKW-UHFFFAOYSA-N -1 1 315.417 3.902 20 0 DHADMM CC(C)N(Cc1ccccn1)C(=O)c1cc2ccccc2cc1[O-] ZINC000537639429 1032501484 /nfs/dbraw/zinc/50/14/84/1032501484.db2.gz KCTJMCKWUHZMOO-UHFFFAOYSA-N -1 1 320.392 3.991 20 0 DHADMM CC1CCN(c2ccc(NC(=O)c3ccccc3[O-])cc2)CC1 ZINC000586736537 1032515405 /nfs/dbraw/zinc/51/54/05/1032515405.db2.gz CKDLIXYWKAADQQ-UHFFFAOYSA-N -1 1 310.397 3.881 20 0 DHADMM CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc(Br)cc1[O-] ZINC000088302045 1011926255 /nfs/dbraw/zinc/92/62/55/1011926255.db2.gz SCUFKEARMISRPI-NXEZZACHSA-N -1 1 314.223 3.709 20 0 DHADMM CCOc1cc(C(=O)NC2(C)CCCCC2)cc(Cl)c1[O-] ZINC000186679616 1011973295 /nfs/dbraw/zinc/97/32/95/1011973295.db2.gz JLXRRSUIQVEIHB-UHFFFAOYSA-N -1 1 311.809 3.897 20 0 DHADMM Cc1nc(-c2ccc(NC[C@@H]3CCC[C@H]4C[C@H]43)nc2)[n-]c(=O)c1C ZINC000664384914 1011992141 /nfs/dbraw/zinc/99/21/41/1011992141.db2.gz FGEGSIMJGJXRGF-OFQRWUPVSA-N -1 1 324.428 3.709 20 0 DHADMM O=C([N-]c1cc(F)ccc1F)c1scnc1C(F)(F)F ZINC000096749234 1032601084 /nfs/dbraw/zinc/60/10/84/1032601084.db2.gz CRZNLIMWPLGLQM-UHFFFAOYSA-N -1 1 308.231 3.692 20 0 DHADMM COc1ccc2c(c1)[C@@H](C(=O)Nc1c([O-])cccc1F)CCC2 ZINC000654966056 1012215754 /nfs/dbraw/zinc/21/57/54/1012215754.db2.gz FAJCNJAPAQMGKY-ZDUSSCGKSA-N -1 1 315.344 3.599 20 0 DHADMM O=C(NCc1ccc(C(F)F)cc1)c1c(F)ccc([O-])c1F ZINC000515712233 1012705426 /nfs/dbraw/zinc/70/54/26/1012705426.db2.gz REMZAWZDAFHWHJ-UHFFFAOYSA-N -1 1 313.250 3.538 20 0 DHADMM CCCN(Cc1c(F)cccc1Cl)C(=O)c1cncc([O-])c1 ZINC000339884667 1012997451 /nfs/dbraw/zinc/99/74/51/1012997451.db2.gz VBQXYEADJRRKAJ-UHFFFAOYSA-N -1 1 322.767 3.632 20 0 DHADMM CO[C@H](C)CO[C@H](C)COc1cc(Cl)c([O-])cc1Cl ZINC001227644733 1017123347 /nfs/dbraw/zinc/12/33/47/1017123347.db2.gz CUDWKRGBYPSTPF-RKDXNWHRSA-N -1 1 309.189 3.518 20 0 DHADMM CCOc1cc(-c2noc([C@@H](C)SC)n2)cc(Cl)c1[O-] ZINC000277867156 1017510572 /nfs/dbraw/zinc/51/05/72/1017510572.db2.gz KJRDAZLJNYIZCZ-SSDOTTSWSA-N -1 1 314.794 3.918 20 0 DHADMM O=C(NCc1cnc(Cl)s1)c1cc2ccccc2cc1[O-] ZINC000773334824 1032727541 /nfs/dbraw/zinc/72/75/41/1032727541.db2.gz YXTSAZJRSRQEFQ-UHFFFAOYSA-N -1 1 318.785 3.585 20 0 DHADMM CC(=O)[C@@H](C)CCCCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445473384 1017881635 /nfs/dbraw/zinc/88/16/35/1017881635.db2.gz UPKDNMFQUKREGQ-JTQLQIEISA-N -1 1 306.337 3.519 20 0 DHADMM CSc1ccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)cc1 ZINC000171180635 1017892572 /nfs/dbraw/zinc/89/25/72/1017892572.db2.gz DUGNCSGHNYGAGU-UHFFFAOYSA-N -1 1 318.423 3.691 20 0 DHADMM CSc1ccncc1[N-]C(=O)c1coc(-c2ccccc2)n1 ZINC000674258099 1017902784 /nfs/dbraw/zinc/90/27/84/1017902784.db2.gz FGTBWAPSKPDGGR-UHFFFAOYSA-N -1 1 311.366 3.711 20 0 DHADMM Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(F)ccc1[O-])CC3 ZINC000674325173 1017953290 /nfs/dbraw/zinc/95/32/90/1017953290.db2.gz WCLZBGFUZJDRTK-UHFFFAOYSA-N -1 1 324.355 3.520 20 0 DHADMM CC1(C)[C@@H](CNC(=O)c2ccc(F)c([O-])c2)[C@@H]1c1ccccc1 ZINC001626102201 1018019726 /nfs/dbraw/zinc/01/97/26/1018019726.db2.gz XZHJBYUSKBUWEG-YOEHRIQHSA-N -1 1 313.372 3.701 20 0 DHADMM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1ncccc1[O-] ZINC000154025958 1018096176 /nfs/dbraw/zinc/09/61/76/1018096176.db2.gz OIRQRNIGKSQSQZ-NSHDSACASA-N -1 1 319.430 3.509 20 0 DHADMM CCOC(=O)c1ccc(F)c(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001213381942 1018352260 /nfs/dbraw/zinc/35/22/60/1018352260.db2.gz QSOISVNAFFBVNE-UHFFFAOYSA-N -1 1 311.259 3.730 20 0 DHADMM O=C1[N-]C(=O)C(=Cc2ccc(Oc3cccc(F)c3)cc2)S1 ZINC000874928283 1032764745 /nfs/dbraw/zinc/76/47/45/1032764745.db2.gz NOGBYZWGKFQJBH-RIYZIHGNSA-N -1 1 315.325 3.942 20 0 DHADMM Nc1ccc(OC(F)(F)F)c(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001213386823 1018493792 /nfs/dbraw/zinc/49/37/92/1018493792.db2.gz XGJWIKBLGXNTRD-UHFFFAOYSA-N -1 1 320.217 3.895 20 0 DHADMM CSc1ccccc1[N-]C(=O)c1ncoc1[C@H]1CCCO1 ZINC000114999718 1018500057 /nfs/dbraw/zinc/50/00/57/1018500057.db2.gz AXMGQYGUPUSYJR-LLVKDONJSA-N -1 1 304.371 3.500 20 0 DHADMM C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(F)cc2[O-])o1 ZINC000676056364 1018650388 /nfs/dbraw/zinc/65/03/88/1018650388.db2.gz ZCQANTLSMOQTHJ-GXFFZTMASA-N -1 1 303.333 3.819 20 0 DHADMM CCCOc1ccc(Cl)cc1[N-]S(=O)(=O)CCC1CC1 ZINC000536117389 1018658301 /nfs/dbraw/zinc/65/83/01/1018658301.db2.gz QFRBILVHGZGMIX-UHFFFAOYSA-N -1 1 317.838 3.671 20 0 DHADMM CC(C)(C)c1csc(NC(=O)c2c(F)ccc([O-])c2F)n1 ZINC000565064467 1018666906 /nfs/dbraw/zinc/66/69/06/1018666906.db2.gz NBSBAGGFUUGLPX-UHFFFAOYSA-N -1 1 312.341 3.677 20 0 DHADMM O=C(Nc1ccc2c(cnn2C(F)F)c1)c1cc(F)ccc1[O-] ZINC000676627340 1018786327 /nfs/dbraw/zinc/78/63/27/1018786327.db2.gz VPSKHRNZDJNKEL-UHFFFAOYSA-N -1 1 321.258 3.528 20 0 DHADMM C[C@@H](CCOc1ccccc1)C(=O)Nc1c([O-])cccc1F ZINC000073145227 1018817176 /nfs/dbraw/zinc/81/71/76/1018817176.db2.gz RBXJYTLWYJWBJH-LBPRGKRZSA-N -1 1 303.333 3.575 20 0 DHADMM CCCC[C@H](C)N(C)C(=O)c1cc(Br)ccc1[O-] ZINC000386319241 1018914157 /nfs/dbraw/zinc/91/41/57/1018914157.db2.gz IEXWZDLTNWKMEN-JTQLQIEISA-N -1 1 314.223 3.805 20 0 DHADMM O=S(=O)([N-]c1ccccc1F)c1cccc(Cl)c1Cl ZINC000007402773 1019026353 /nfs/dbraw/zinc/02/63/53/1019026353.db2.gz GPPBDDXHYXMQEQ-UHFFFAOYSA-N -1 1 320.172 3.933 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(C(F)(F)F)cn1 ZINC000169280327 1019170958 /nfs/dbraw/zinc/17/09/58/1019170958.db2.gz OIDWIUCYPSIVOT-UHFFFAOYSA-N -1 1 316.666 3.712 20 0 DHADMM CCCOc1cccc([N-]S(=O)(=O)c2ccc(C)cc2C)c1 ZINC000032599853 1019244294 /nfs/dbraw/zinc/24/42/94/1019244294.db2.gz DTOILAOLRPAOHX-UHFFFAOYSA-N -1 1 319.426 3.893 20 0 DHADMM CN(Cc1ccc(F)c(F)c1)C(=O)c1cc(Cl)ccc1[O-] ZINC000044439791 1019380397 /nfs/dbraw/zinc/38/03/97/1019380397.db2.gz KMXJIDTUIWWGCJ-UHFFFAOYSA-N -1 1 311.715 3.596 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1cccc(Br)c1 ZINC000078807009 1019594936 /nfs/dbraw/zinc/59/49/36/1019594936.db2.gz GYRCWUIKRQOINX-UHFFFAOYSA-N -1 1 310.122 3.546 20 0 DHADMM COc1cc(C(=O)Nc2cc(O)c(C)cc2C)cc(Cl)c1[O-] ZINC000682363873 1019626556 /nfs/dbraw/zinc/62/65/56/1019626556.db2.gz XVPDJBTUPQTXSU-UHFFFAOYSA-N -1 1 321.760 3.629 20 0 DHADMM COc1ccc(/C=C(/C)C(=O)Nc2ccc(F)cc2[O-])cc1F ZINC000755615994 1019734670 /nfs/dbraw/zinc/73/46/70/1019734670.db2.gz OQJAWRWHDPPFIV-YFHOEESVSA-N -1 1 319.307 3.721 20 0 DHADMM CC(C)(C)C[C@@H](NC(=O)c1cncc([O-])c1)c1ccc(F)cc1 ZINC000348798093 1019786757 /nfs/dbraw/zinc/78/67/57/1019786757.db2.gz GUFKGLDURNMKEX-MRXNPFEDSA-N -1 1 316.376 3.834 20 0 DHADMM O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1ccc(Cl)cc1 ZINC000130444207 1032857129 /nfs/dbraw/zinc/85/71/29/1032857129.db2.gz FVAKKZUSILLANB-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM O=C(Cc1ccc2c(c1)CCCC2)Nc1cc(F)cc(F)c1[O-] ZINC001626853945 1019969005 /nfs/dbraw/zinc/96/90/05/1019969005.db2.gz CICVRYWWPVIBLH-UHFFFAOYSA-N -1 1 317.335 3.730 20 0 DHADMM O=C(/C=C/c1cnc(-c2ccccn2)s1)c1ccc([O-])cc1 ZINC000084502734 1020026364 /nfs/dbraw/zinc/02/63/64/1020026364.db2.gz JBXWDLYXZHMFGG-CMDGGOBGSA-N -1 1 308.362 3.807 20 0 DHADMM CCOc1cc(C(=O)Nc2ccc(CC)cn2)cc(Cl)c1[O-] ZINC000922471551 1020087603 /nfs/dbraw/zinc/08/76/03/1020087603.db2.gz FUMMTXYXCDLSEF-UHFFFAOYSA-N -1 1 320.776 3.654 20 0 DHADMM CN(Cc1ccc(F)cc1F)C(=O)c1ccc(Cl)cc1[O-] ZINC000073843451 1020125046 /nfs/dbraw/zinc/12/50/46/1020125046.db2.gz ADFFJTLQDNWUDR-UHFFFAOYSA-N -1 1 311.715 3.596 20 0 DHADMM C[C@@H]1CC(C)(C)CN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000666022057 1020346606 /nfs/dbraw/zinc/34/66/06/1020346606.db2.gz JXVRXAKQOOMBCT-SECBINFHSA-N -1 1 301.308 3.672 20 0 DHADMM CC(=O)n1ncc2ccc(Nc3cc([O-])c(Cl)cc3F)cc21 ZINC001212418951 1020399574 /nfs/dbraw/zinc/39/95/74/1020399574.db2.gz JGFDJWOZKFBDEY-UHFFFAOYSA-N -1 1 319.723 3.938 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1nc2ccccc2cc1Cl ZINC000685742884 1020402754 /nfs/dbraw/zinc/40/27/54/1020402754.db2.gz GEVVFUJYWULCIS-UHFFFAOYSA-N -1 1 316.719 3.985 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1ccc2c(c1)CCCCC2=O ZINC000685743341 1020402952 /nfs/dbraw/zinc/40/29/52/1020402952.db2.gz XHSRWHALDOZGCU-UHFFFAOYSA-N -1 1 313.328 3.693 20 0 DHADMM O=c1nc(N2CCCC[C@@H]2CCc2ccccc2)cc(Cl)[n-]1 ZINC000858463115 1032905095 /nfs/dbraw/zinc/90/50/95/1032905095.db2.gz UQJRHDMBTUUKJS-CQSZACIVSA-N -1 1 317.820 3.827 20 0 DHADMM Cc1ccc(CN(C(=O)c2ccc(Cl)cc2[O-])C2CC2)o1 ZINC000612549968 1020615652 /nfs/dbraw/zinc/61/56/52/1020615652.db2.gz RASYKHRQBGEBEX-UHFFFAOYSA-N -1 1 305.761 3.752 20 0 DHADMM O=c1nc(N[C@H]2CC[C@H](c3cccc(F)c3)C2)cc(Cl)[n-]1 ZINC000858524021 1032932223 /nfs/dbraw/zinc/93/22/23/1032932223.db2.gz BQWFEQZRJJJBFM-JQWIXIFHSA-N -1 1 307.756 3.723 20 0 DHADMM O=C(NCC1(c2cccc(F)c2)CC1)c1c([O-])cccc1Cl ZINC000740127620 1020928455 /nfs/dbraw/zinc/92/84/55/1020928455.db2.gz DYSHPNXWVIVYFR-UHFFFAOYSA-N -1 1 319.763 3.646 20 0 DHADMM CCCCCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000740921536 1020964773 /nfs/dbraw/zinc/96/47/73/1020964773.db2.gz SJQCKEPTTHYDEK-UHFFFAOYSA-N -1 1 322.405 3.659 20 0 DHADMM CCCCCC[C@@H](C)CC(=O)NCc1n[n-]c(=S)n1CC ZINC000066636424 1020990738 /nfs/dbraw/zinc/99/07/38/1020990738.db2.gz LWKADJRNNXLLLS-GFCCVEGCSA-N -1 1 312.483 3.573 20 0 DHADMM CN1C(=O)c2ccc(Cl)cc2N[C@H]1c1cc(F)c([O-])c(F)c1 ZINC000175926931 1021086480 /nfs/dbraw/zinc/08/64/80/1021086480.db2.gz XAQXCVHDSCMYCM-CQSZACIVSA-N -1 1 324.714 3.520 20 0 DHADMM Cc1cc(NC(=O)c2ccc([O-])cc2F)ccc1N1CCCC1 ZINC000161916718 1021234928 /nfs/dbraw/zinc/23/49/28/1021234928.db2.gz NLAKVUSABINEFJ-UHFFFAOYSA-N -1 1 314.360 3.692 20 0 DHADMM CN(C[C@H]1CC1(C)C)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000621046344 1021237346 /nfs/dbraw/zinc/23/73/46/1021237346.db2.gz ZGQWLVNDNKKXNH-SNVBAGLBSA-N -1 1 301.308 3.529 20 0 DHADMM Cn1c(C(=O)Nc2c([O-])cccc2F)ccc1-c1ccccc1 ZINC000743415881 1021289826 /nfs/dbraw/zinc/28/98/26/1021289826.db2.gz MUKXJNNUDQRSOC-UHFFFAOYSA-N -1 1 310.328 3.789 20 0 DHADMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2ccccc2c1 ZINC000303909348 1021321902 /nfs/dbraw/zinc/32/19/02/1021321902.db2.gz UEMFIUMFNYKFBC-UHFFFAOYSA-N -1 1 322.389 3.821 20 0 DHADMM CCc1cc2c(COC(=O)CC(C)(C)C)cc(=O)oc2cc1[O-] ZINC000006353255 1021325289 /nfs/dbraw/zinc/32/52/89/1021325289.db2.gz JAAINRBRUGPIBA-UHFFFAOYSA-N -1 1 318.369 3.540 20 0 DHADMM CC(C)(C)c1nc(CSc2nc(C(F)F)cc(=O)[n-]2)co1 ZINC000917745761 1021357463 /nfs/dbraw/zinc/35/74/63/1021357463.db2.gz HENLSJXPRPABMV-UHFFFAOYSA-N -1 1 315.345 3.698 20 0 DHADMM CCOC(=O)c1cnc(C(C)=Cc2cscc2Cl)[n-]c1=O ZINC000618942940 1021592704 /nfs/dbraw/zinc/59/27/04/1021592704.db2.gz CSTQKYZZUVWKCU-XBXARRHUSA-N -1 1 324.789 3.634 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C[C@H]2CCCC[C@@H]2C)c1 ZINC000744867143 1021614707 /nfs/dbraw/zinc/61/47/07/1021614707.db2.gz JGYILUIWGNZHEY-DZGCQCFKSA-N -1 1 318.413 3.897 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C[C@@H]2CCC[C@@H](C)C2)c1 ZINC000744911099 1021624291 /nfs/dbraw/zinc/62/42/91/1021624291.db2.gz QJHCQJTYEMBJSQ-UKRRQHHQSA-N -1 1 318.413 3.897 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H](C)CC2CCCC2)c1 ZINC000745038197 1021639351 /nfs/dbraw/zinc/63/93/51/1021639351.db2.gz CFILJHNFNKKJMX-CYBMUJFWSA-N -1 1 318.413 3.897 20 0 DHADMM O=C1OCCN1c1cccc(NCc2cccc([O-])c2Cl)c1 ZINC000328229590 1021703965 /nfs/dbraw/zinc/70/39/65/1021703965.db2.gz NRUCSHYFVUJWMM-UHFFFAOYSA-N -1 1 318.760 3.614 20 0 DHADMM COC(=O)Nc1cccc(NCc2cccc([O-])c2Cl)c1 ZINC000328482538 1021730463 /nfs/dbraw/zinc/73/04/63/1021730463.db2.gz QCKWPMSMFYZUPS-UHFFFAOYSA-N -1 1 306.749 3.836 20 0 DHADMM CCN(C(=O)c1ccc2ccccc2c1[O-])c1nc(C)cs1 ZINC000152922339 1021874954 /nfs/dbraw/zinc/87/49/54/1021874954.db2.gz GXRRGBGUKOKOJU-UHFFFAOYSA-N -1 1 312.394 3.977 20 0 DHADMM C[C@@H]1[C@H](C(=O)[O-])CCCN1Cc1ccc(Cl)c(Cl)c1 ZINC000263071682 1022035836 /nfs/dbraw/zinc/03/58/36/1022035836.db2.gz PMAFBDFJAHWUJV-MWLCHTKSSA-N -1 1 302.201 3.679 20 0 DHADMM COc1ccc(CCCC(=O)Nc2cc([O-])c(F)cc2F)cc1 ZINC001625894291 1022042481 /nfs/dbraw/zinc/04/24/81/1022042481.db2.gz WCZIAGULTWMDOU-UHFFFAOYSA-N -1 1 321.323 3.640 20 0 DHADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000263488797 1022061990 /nfs/dbraw/zinc/06/19/90/1022061990.db2.gz IBNUSXUCAACBFE-GXSJLCMTSA-N -1 1 319.298 3.530 20 0 DHADMM O=C(c1ncc2ccccc2c1[O-])N1CCC[C@H](C2CCC2)C1 ZINC000620203198 1022071124 /nfs/dbraw/zinc/07/11/24/1022071124.db2.gz RRBFGRDKACNOFP-HNNXBMFYSA-N -1 1 310.397 3.593 20 0 DHADMM O=C(NCC1(c2ccc(F)cc2)CC1)c1c([O-])cccc1Cl ZINC000920454334 1022122585 /nfs/dbraw/zinc/12/25/85/1022122585.db2.gz FZYLGGHIMXNZRW-UHFFFAOYSA-N -1 1 319.763 3.646 20 0 DHADMM O=C(NCCCSc1ccccc1)c1c([O-])cccc1Cl ZINC000920429937 1022125810 /nfs/dbraw/zinc/12/58/10/1022125810.db2.gz GHLDITUAGNPYGA-UHFFFAOYSA-N -1 1 321.829 3.958 20 0 DHADMM CCCc1cc(C(=O)[N-]c2c(OC)cccc2SC)no1 ZINC000416125166 1022143326 /nfs/dbraw/zinc/14/33/26/1022143326.db2.gz VVZLMIHXVADQBL-UHFFFAOYSA-N -1 1 306.387 3.610 20 0 DHADMM COc1cc(C(=O)N(CCC2CC2)CC2CC2)cc(Cl)c1[O-] ZINC000620629104 1022207700 /nfs/dbraw/zinc/20/77/00/1022207700.db2.gz YYTWYVYHEIEFBX-UHFFFAOYSA-N -1 1 323.820 3.707 20 0 DHADMM COc1ccc2cc(NC(=O)c3ccc(O)cc3[O-])ccc2c1 ZINC000804305631 1022229157 /nfs/dbraw/zinc/22/91/57/1022229157.db2.gz FODIXSJHCRZIIN-UHFFFAOYSA-N -1 1 309.321 3.512 20 0 DHADMM C[C@H]1CN(Cc2cccc([O-])c2Cl)CC[C@@H](C(F)(F)F)O1 ZINC000877823265 1033473845 /nfs/dbraw/zinc/47/38/45/1033473845.db2.gz WCBQTJSGTPTXQY-CABZTGNLSA-N -1 1 323.742 3.587 20 0 DHADMM CC(=O)Nc1ccc(C)c(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000188846520 1022327787 /nfs/dbraw/zinc/32/77/87/1022327787.db2.gz GMCHJSKVLLYDAE-UHFFFAOYSA-N -1 1 318.760 3.565 20 0 DHADMM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2ccc([O-])cc2F)C1 ZINC000154910671 1022343908 /nfs/dbraw/zinc/34/39/08/1022343908.db2.gz DLFRJNPTYKVHFJ-KBPBESRZSA-N -1 1 313.372 3.858 20 0 DHADMM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2ccc([O-])cc2F)C1 ZINC000154910911 1022345102 /nfs/dbraw/zinc/34/51/02/1022345102.db2.gz DLFRJNPTYKVHFJ-KGLIPLIRSA-N -1 1 313.372 3.858 20 0 DHADMM O=C(Nc1ccccc1NCC(F)(F)F)c1ccccc1[O-] ZINC000155129268 1022370561 /nfs/dbraw/zinc/37/05/61/1022370561.db2.gz GGJSCNURWNSZOA-UHFFFAOYSA-N -1 1 310.275 3.619 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H]1c1ccc(O)cc1 ZINC000620973669 1022474997 /nfs/dbraw/zinc/47/49/97/1022474997.db2.gz SQTPZSXRGHQSJG-HNNXBMFYSA-N -1 1 317.772 3.729 20 0 DHADMM Cc1nc(C(C)C)ncc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885680524 1022480939 /nfs/dbraw/zinc/48/09/39/1022480939.db2.gz TVTGXHNVTKBJFP-UHFFFAOYSA-N -1 1 323.755 3.659 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N1CCC(c2ccco2)CC1 ZINC000855291308 1022608546 /nfs/dbraw/zinc/60/85/46/1022608546.db2.gz FCNAUWCPLRWNNT-UHFFFAOYSA-N -1 1 305.761 3.658 20 0 DHADMM CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)c1ccccc1)C(F)(F)F ZINC000767109854 1022640803 /nfs/dbraw/zinc/64/08/03/1022640803.db2.gz XVOMLVNVKCKUPY-MWLCHTKSSA-N -1 1 309.278 3.872 20 0 DHADMM CCOc1cc(C(=O)N2[C@@H](C)CCC2(C)C)cc(Cl)c1[O-] ZINC000616178184 1022657346 /nfs/dbraw/zinc/65/73/46/1022657346.db2.gz VQZSDOBAVSJVDQ-JTQLQIEISA-N -1 1 311.809 3.847 20 0 DHADMM CCCc1ccc(CNCc2ccc(C(=O)[O-])c(CC)n2)s1 ZINC000621247377 1022669460 /nfs/dbraw/zinc/66/94/60/1022669460.db2.gz RPNNTFMSDOHYOX-UHFFFAOYSA-N -1 1 318.442 3.646 20 0 DHADMM Cc1nc(-c2cccs2)c(CC(=O)[N-]OCC2CCC2)s1 ZINC000856341828 1022797369 /nfs/dbraw/zinc/79/73/69/1022797369.db2.gz IWOOEYHYEUSWFI-UHFFFAOYSA-N -1 1 322.455 3.570 20 0 DHADMM C[C@@H](C(=O)[N-]OCC1CCC1)c1ccc(C(F)(F)F)cc1 ZINC000856352129 1022802525 /nfs/dbraw/zinc/80/25/25/1022802525.db2.gz YDHKAKLFUPTDTC-SNVBAGLBSA-N -1 1 301.308 3.657 20 0 DHADMM CCc1ccc(C)nc1NC(=O)c1cc(SC)ccc1[O-] ZINC000622142749 1023047575 /nfs/dbraw/zinc/04/75/75/1023047575.db2.gz NIEVUBMFDSWLKG-UHFFFAOYSA-N -1 1 302.399 3.632 20 0 DHADMM CCc1cccnc1[N-]S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000768863942 1023052037 /nfs/dbraw/zinc/05/20/37/1023052037.db2.gz FTFGWUPAIAMLAX-NTMALXAHSA-N -1 1 322.817 3.710 20 0 DHADMM C[C@H]1c2ccc(F)cc2CCN1C(=O)c1c([O-])cccc1Cl ZINC000769901454 1023228999 /nfs/dbraw/zinc/22/89/99/1023228999.db2.gz YBPGDRWQZSKXOY-JTQLQIEISA-N -1 1 319.763 3.944 20 0 DHADMM O=C1N[C@@H](c2cccc([O-])c2Cl)Nc2cc(Cl)ccc21 ZINC000877846935 1033483859 /nfs/dbraw/zinc/48/38/59/1033483859.db2.gz KOPIFMSVDKXTOO-ZDUSSCGKSA-N -1 1 309.152 3.553 20 0 DHADMM CC(C)(NC(=O)c1c([O-])cccc1Cl)c1cccc(F)c1 ZINC000769889430 1023241198 /nfs/dbraw/zinc/24/11/98/1023241198.db2.gz RNDDHFNOPHIOIP-UHFFFAOYSA-N -1 1 307.752 3.850 20 0 DHADMM CCS[C@H]1CCCC[C@H]1NC(=O)c1c([O-])cccc1Cl ZINC000769957741 1023245413 /nfs/dbraw/zinc/24/54/13/1023245413.db2.gz OQICGNHHXYQWBF-YPMHNXCESA-N -1 1 313.850 3.840 20 0 DHADMM Cn1cccc1[C@H]1CCCCN1C(=O)c1c([O-])cccc1Cl ZINC000769937375 1023252530 /nfs/dbraw/zinc/25/25/30/1023252530.db2.gz GMQGSFFJDRFBPP-CQSZACIVSA-N -1 1 318.804 3.752 20 0 DHADMM C[C@H](CCc1ccc(O)cc1)NC(=O)c1c([O-])cccc1Cl ZINC000770031471 1023265726 /nfs/dbraw/zinc/26/57/26/1023265726.db2.gz ACGUAGDJHUTWPE-LLVKDONJSA-N -1 1 319.788 3.502 20 0 DHADMM O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1c([O-])cccc1Cl ZINC000772540316 1023565660 /nfs/dbraw/zinc/56/56/60/1023565660.db2.gz GXESOFOEYNOIBY-ISTRZQFTSA-N -1 1 313.784 3.504 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)s1 ZINC000048653011 1023801495 /nfs/dbraw/zinc/80/14/95/1023801495.db2.gz MOSAAICCXNMKJI-UHFFFAOYSA-N -1 1 319.810 3.904 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H](C)CC1CCCCC1 ZINC000787659216 1023809699 /nfs/dbraw/zinc/80/96/99/1023809699.db2.gz RTXTWSGDKBQIRS-GFCCVEGCSA-N -1 1 319.449 3.703 20 0 DHADMM CCOc1ccc(CN(C)[C@@H](C)c2cc(C(=O)[O-])c(C)o2)cc1 ZINC000652372409 1023820522 /nfs/dbraw/zinc/82/05/22/1023820522.db2.gz JQMDYUGGMSUHGO-LBPRGKRZSA-N -1 1 317.385 3.878 20 0 DHADMM Cc1c(CN(C)Cc2ccoc2C(=O)[O-])oc2c1cccc2C ZINC000652510779 1023903005 /nfs/dbraw/zinc/90/30/05/1023903005.db2.gz JSHMTBQACQESMR-UHFFFAOYSA-N -1 1 313.353 3.973 20 0 DHADMM Cc1cnc(SC[C@@H]2CCC[C@H](c3ccccc3)O2)[n-]c1=O ZINC000882173630 1023984193 /nfs/dbraw/zinc/98/41/93/1023984193.db2.gz LFHXFVPWGACWNK-LSDHHAIUSA-N -1 1 316.426 3.893 20 0 DHADMM CCN(CC(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000129524347 1024007022 /nfs/dbraw/zinc/00/70/22/1024007022.db2.gz SBTZIVBNJUSASB-UHFFFAOYSA-N -1 1 304.777 3.511 20 0 DHADMM Cn1ccc2c1cccc2C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129586489 1024023352 /nfs/dbraw/zinc/02/33/52/1024023352.db2.gz ROIVKDFCBIRWBL-UHFFFAOYSA-N -1 1 300.745 3.790 20 0 DHADMM CC12CC(C1)CN2[C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000663315887 1024088744 /nfs/dbraw/zinc/08/87/44/1024088744.db2.gz PNOZCUVCYWIMLR-YEMQSEFVSA-N -1 1 300.185 3.603 20 0 DHADMM O=C(NCC(F)(F)c1ccccc1)c1c([O-])cccc1Cl ZINC000789860010 1024179648 /nfs/dbraw/zinc/17/96/48/1024179648.db2.gz DPFFBCNSHYIXGN-UHFFFAOYSA-N -1 1 311.715 3.567 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])c1c[nH]cc1-c1ccccc1 ZINC000790050728 1024213219 /nfs/dbraw/zinc/21/32/19/1024213219.db2.gz HOPCAKYUGUYPIP-UHFFFAOYSA-N -1 1 313.744 3.688 20 0 DHADMM Cc1cc(C(=O)Nc2nc(Cl)ccc2[O-])c(C(F)(F)F)o1 ZINC000790056572 1024215331 /nfs/dbraw/zinc/21/53/31/1024215331.db2.gz PCRIIRQPYUDBKK-UHFFFAOYSA-N -1 1 320.654 3.613 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N1CC[C@H](c2ccccc2)C1 ZINC000746890442 1024265845 /nfs/dbraw/zinc/26/58/45/1024265845.db2.gz NLOKXOPBIWPQTB-ZDUSSCGKSA-N -1 1 301.773 3.675 20 0 DHADMM CCc1cc2c(COC(=O)C[C@@H](C)CC)cc(=O)oc2cc1[O-] ZINC000791500055 1024515534 /nfs/dbraw/zinc/51/55/34/1024515534.db2.gz UICSDXJHRYPYIV-NSHDSACASA-N -1 1 318.369 3.540 20 0 DHADMM Cc1nn(C)c2sc(C(=O)Nc3ccc([O-])c(Cl)c3)cc12 ZINC000111666334 1024547027 /nfs/dbraw/zinc/54/70/27/1024547027.db2.gz IZLDCGLJBBHCMW-UHFFFAOYSA-N -1 1 321.789 3.555 20 0 DHADMM CCN(C(=O)c1cc(Br)ccc1[O-])C1CCCC1 ZINC000221007754 1024551061 /nfs/dbraw/zinc/55/10/61/1024551061.db2.gz PZEWGYCTGYHOAY-UHFFFAOYSA-N -1 1 312.207 3.559 20 0 DHADMM CCS(=O)(=O)[N-]c1ccccc1Oc1ccc(Cl)cc1 ZINC001253349021 1024599982 /nfs/dbraw/zinc/59/99/82/1024599982.db2.gz YAUCVAZFEGEWDL-UHFFFAOYSA-N -1 1 311.790 3.894 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC1(CC(C)C)CCC1 ZINC000757000155 1024746919 /nfs/dbraw/zinc/74/69/19/1024746919.db2.gz VHRTUXBMVTWUBI-UHFFFAOYSA-N -1 1 319.449 3.560 20 0 DHADMM [O-]c1ccc(-c2nc([C@H]3CCc4ccccc4C3)no2)c(F)c1 ZINC000322853141 1024807123 /nfs/dbraw/zinc/80/71/23/1024807123.db2.gz WZFSJOCBRIRQST-ZDUSSCGKSA-N -1 1 310.328 3.854 20 0 DHADMM Cc1ccc(-c2ccc(C[N-]c3nnc(C(F)(F)F)o3)o2)cc1 ZINC000351491117 1024870877 /nfs/dbraw/zinc/87/08/77/1024870877.db2.gz INCAASXJOFDOKM-UHFFFAOYSA-N -1 1 323.274 4.269 20 0 DHADMM Cc1cccc(NC(=O)Nc2cc3ccc([O-])cc3oc2=O)c1C ZINC001202694100 1024875316 /nfs/dbraw/zinc/87/53/16/1024875316.db2.gz ASSLDLVNPUXCFC-UHFFFAOYSA-N -1 1 324.336 3.759 20 0 DHADMM [O-]c1c(-c2nc(COCC(F)(F)F)no2)ccc2ccccc21 ZINC000323887600 1025029350 /nfs/dbraw/zinc/02/93/50/1025029350.db2.gz UXTCSQBCSXDOIB-UHFFFAOYSA-N -1 1 324.258 3.674 20 0 DHADMM CSCCO[N-]C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000794190350 1025235181 /nfs/dbraw/zinc/23/51/81/1025235181.db2.gz WVFWDGXVDZXCSO-MRVPVSSYSA-N -1 1 308.230 3.508 20 0 DHADMM C[C@@H](NC(=O)c1cccc([O-])c1F)c1c(F)cccc1Cl ZINC001137218401 1025329936 /nfs/dbraw/zinc/32/99/36/1025329936.db2.gz XFYHUFGENIKRMM-MRVPVSSYSA-N -1 1 311.715 3.815 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@H]1CCCCC1(F)F ZINC000885677970 1025377918 /nfs/dbraw/zinc/37/79/18/1025377918.db2.gz FLHBENLLXOQERH-SSDOTTSWSA-N -1 1 307.699 3.949 20 0 DHADMM CC[C@H]1C[C@@H](CC(=O)Nc2cc(F)c([O-])cc2Cl)CCO1 ZINC000885676897 1025378102 /nfs/dbraw/zinc/37/81/02/1025378102.db2.gz VZVCDEHLJJSILL-UWVGGRQHSA-N -1 1 315.772 3.719 20 0 DHADMM CC(C)(C)OCCCC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678117 1025381527 /nfs/dbraw/zinc/38/15/27/1025381527.db2.gz JRVIILKEFQRKKK-UHFFFAOYSA-N -1 1 303.761 3.719 20 0 DHADMM COc1cc(-c2ccccc2)sc1C(=O)[N-]c1nncs1 ZINC000051452063 1025431104 /nfs/dbraw/zinc/43/11/04/1025431104.db2.gz CKPFRHBOYVHISZ-UHFFFAOYSA-N -1 1 317.395 3.528 20 0 DHADMM CC[C@H](C)c1ccc(OS(=O)(=O)c2cnc(C(C)C)[n-]2)cc1 ZINC000747232719 1025547363 /nfs/dbraw/zinc/54/73/63/1025547363.db2.gz AEELHXNRXSLRND-LBPRGKRZSA-N -1 1 322.430 3.814 20 0 DHADMM CC[C@H](C)c1ccc(OS(=O)(=O)c2c[n-]c(C(C)C)n2)cc1 ZINC000747232719 1025547370 /nfs/dbraw/zinc/54/73/70/1025547370.db2.gz AEELHXNRXSLRND-LBPRGKRZSA-N -1 1 322.430 3.814 20 0 DHADMM O=C(N[C@H]1CCSc2ccccc21)c1c(F)ccc([O-])c1F ZINC000355905394 1025882351 /nfs/dbraw/zinc/88/23/51/1025882351.db2.gz LJEAJGDHKUTAFV-NSHDSACASA-N -1 1 321.348 3.637 20 0 DHADMM CCOc1ccc(F)c([N-]c2ncco2)c1Br ZINC001211754368 1025890936 /nfs/dbraw/zinc/89/09/36/1025890936.db2.gz NDLUJJLUJONQPO-UHFFFAOYSA-N -1 1 301.115 3.719 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CC=C(c2ccccc2F)CC1 ZINC000137355652 1025891423 /nfs/dbraw/zinc/89/14/23/1025891423.db2.gz SRHIEZBYQKJCAI-UHFFFAOYSA-N -1 1 315.319 3.600 20 0 DHADMM CCOC(=O)c1ccc(OC)c(Nc2c([O-])cc(F)cc2F)c1 ZINC001211976446 1026050191 /nfs/dbraw/zinc/05/01/91/1026050191.db2.gz FVIBTLQRXBCLTB-UHFFFAOYSA-N -1 1 323.295 3.599 20 0 DHADMM CCC[C@]1(C)CCCN(C(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC000747412403 1026103433 /nfs/dbraw/zinc/10/34/33/1026103433.db2.gz NTUHWAHCCBWTDA-GOSISDBHSA-N -1 1 319.449 3.656 20 0 DHADMM COc1cc(C(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)cc(Cl)c1[O-] ZINC000356649181 1026117251 /nfs/dbraw/zinc/11/72/51/1026117251.db2.gz VBRJSCDPXXEVFG-MXWKQRLJSA-N -1 1 311.809 3.561 20 0 DHADMM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ccc([O-])cn1 ZINC001137242507 1026170569 /nfs/dbraw/zinc/17/05/69/1026170569.db2.gz KIZSIPAXKBADAC-NEPJUHHUSA-N -1 1 318.804 3.705 20 0 DHADMM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1ccc([O-])cn1 ZINC001137242509 1026171510 /nfs/dbraw/zinc/17/15/10/1026171510.db2.gz KIZSIPAXKBADAC-NWDGAFQWSA-N -1 1 318.804 3.705 20 0 DHADMM CCOC(=O)c1ccc(OC)c(Nc2ccc(F)c(F)c2[O-])c1 ZINC001211981153 1026187294 /nfs/dbraw/zinc/18/72/94/1026187294.db2.gz QHXDKMXDVSLIKN-UHFFFAOYSA-N -1 1 323.295 3.599 20 0 DHADMM C[C@@H](NCc1ccc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)[O-] ZINC000261994417 1026473285 /nfs/dbraw/zinc/47/32/85/1026473285.db2.gz KRNPWLAASBYNCL-GFCCVEGCSA-N -1 1 301.386 3.807 20 0 DHADMM O=c1cc(C(F)F)nc(S[C@@H]2CCc3ccccc3C2)[n-]1 ZINC000809986163 1026656725 /nfs/dbraw/zinc/65/67/25/1026656725.db2.gz AZOKWGWOAQVIJE-LLVKDONJSA-N -1 1 308.353 3.769 20 0 DHADMM Cc1cccc(C(C)(C)CNC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000280705669 1026696528 /nfs/dbraw/zinc/69/65/28/1026696528.db2.gz FSUIJSHFAPSLIQ-UHFFFAOYSA-N -1 1 319.351 3.686 20 0 DHADMM Cc1ccc2sc(C(=O)[N-]N3Cc4ccccc4C3=O)cc2c1 ZINC000810989503 1026908968 /nfs/dbraw/zinc/90/89/68/1026908968.db2.gz ANCKVPJWXXDYPV-UHFFFAOYSA-N -1 1 322.389 3.511 20 0 DHADMM O=c1cc(C2CC2)nc(SC[C@@H]2CCC3(CCCC3)O2)[n-]1 ZINC000571363967 1027124757 /nfs/dbraw/zinc/12/47/57/1027124757.db2.gz HLAIQOYALBDUOP-LBPRGKRZSA-N -1 1 306.431 3.644 20 0 DHADMM O=c1cc(C2CC2)nc(SC[C@H]2CCC3(CCCC3)O2)[n-]1 ZINC000571363966 1027125481 /nfs/dbraw/zinc/12/54/81/1027125481.db2.gz HLAIQOYALBDUOP-GFCCVEGCSA-N -1 1 306.431 3.644 20 0 DHADMM CSCC[C@@H](C)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000271825784 1027154445 /nfs/dbraw/zinc/15/44/45/1027154445.db2.gz AISCXGGOQTXOAW-SECBINFHSA-N -1 1 321.364 3.625 20 0 DHADMM C[C@H](C1CC1)N(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1CC1 ZINC000271909304 1027176433 /nfs/dbraw/zinc/17/64/33/1027176433.db2.gz DCEVDQWCMZAAQR-SECBINFHSA-N -1 1 313.319 3.814 20 0 DHADMM [O-]c1cccc(CN2CCO[C@H](c3ccsc3)C2)c1Cl ZINC000295404757 1027258111 /nfs/dbraw/zinc/25/81/11/1027258111.db2.gz RBOBWZLQXZSDAI-AWEZNQCLSA-N -1 1 309.818 3.681 20 0 DHADMM Cc1ccc([C@@H]2COCCN2Cc2cccc([O-])c2Cl)o1 ZINC000295510112 1027310412 /nfs/dbraw/zinc/31/04/12/1027310412.db2.gz ZDFXWMCOZZAUQG-ZDUSSCGKSA-N -1 1 307.777 3.521 20 0 DHADMM CCC(=O)c1ccc([O-])c(NC(=O)c2c(O)cccc2Cl)c1 ZINC000812707046 1027368954 /nfs/dbraw/zinc/36/89/54/1027368954.db2.gz GDUXSLWEMYHHRZ-UHFFFAOYSA-N -1 1 319.744 3.596 20 0 DHADMM C[C@@H]1COCC[C@H]1c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000562463487 1027450711 /nfs/dbraw/zinc/45/07/11/1027450711.db2.gz WHQAHLGTVYKKTF-DGCLKSJQSA-N -1 1 310.353 3.735 20 0 DHADMM CSc1ccc([C@H](C)NC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000575838077 1027512136 /nfs/dbraw/zinc/51/21/36/1027512136.db2.gz ZTMKJTVGOQWOSF-VIFPVBQESA-N -1 1 323.364 3.883 20 0 DHADMM O=C(Nc1c([O-])cc(Br)cc1Cl)C1=CCCC1 ZINC000576638874 1027642993 /nfs/dbraw/zinc/64/29/93/1027642993.db2.gz HEGWOOUEPAWZAJ-UHFFFAOYSA-N -1 1 316.582 3.857 20 0 DHADMM CCOC(=O)CCCCCSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000601088513 1027981713 /nfs/dbraw/zinc/98/17/13/1027981713.db2.gz RYIULRPQJALTRM-UHFFFAOYSA-N -1 1 324.446 3.584 20 0 DHADMM O=C(Nc1noc2c1CCCC2)Nc1ccc([O-])c(Cl)c1 ZINC000934354024 1027981717 /nfs/dbraw/zinc/98/17/17/1027981717.db2.gz PYZCBCZWUWVPHW-UHFFFAOYSA-N -1 1 307.737 3.556 20 0 DHADMM O=C(OCCC1CCOCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000814453690 1028053452 /nfs/dbraw/zinc/05/34/52/1028053452.db2.gz ZLDVIAZMBXBAQG-UHFFFAOYSA-N -1 1 319.184 3.673 20 0 DHADMM CC(C)c1nn(C)c(Cl)c1C=C1SC(=S)[N-]C1=O ZINC000048638609 1028179537 /nfs/dbraw/zinc/17/95/37/1028179537.db2.gz GEBHIRRDZNMWJE-QPJJXVBHSA-N -1 1 301.824 3.526 20 0 DHADMM CCC[C@H](CC)S(=O)(=O)[N-]c1cccc2ccc(C)nc21 ZINC000578838059 1028253675 /nfs/dbraw/zinc/25/36/75/1028253675.db2.gz MKEUFLDYROXZCK-AWEZNQCLSA-N -1 1 306.431 3.864 20 0 DHADMM CCc1cccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1 ZINC000564054756 1028289774 /nfs/dbraw/zinc/28/97/74/1028289774.db2.gz YJRSRJUDKUHYBG-UHFFFAOYSA-N -1 1 311.353 3.987 20 0 DHADMM CC(C)n1cc2c(n1)[C@H](NCc1cccc([O-])c1Cl)CCC2 ZINC000815135273 1028393022 /nfs/dbraw/zinc/39/30/22/1028393022.db2.gz SXQIOPZIJMWXAX-CQSZACIVSA-N -1 1 319.836 3.990 20 0 DHADMM Cc1nc(-c2ccc(N3CCCC4(CCC4)C3)nc2)[n-]c(=O)c1C ZINC000369172876 1028457621 /nfs/dbraw/zinc/45/76/21/1028457621.db2.gz COWISRYNYGWNCS-UHFFFAOYSA-N -1 1 324.428 3.632 20 0 DHADMM O=C1N[C@H](c2ccc([O-])c(Cl)c2)Nc2ccc(Cl)cc21 ZINC000049394849 1028466417 /nfs/dbraw/zinc/46/64/17/1028466417.db2.gz WKDHSPIHPSBCFN-CYBMUJFWSA-N -1 1 309.152 3.553 20 0 DHADMM Cc1ccc(C(=O)CSc2nc(C(F)F)cc(=O)[n-]2)cc1C ZINC000566942112 1028809568 /nfs/dbraw/zinc/80/95/68/1028809568.db2.gz JWOUGCRBRSOESC-UHFFFAOYSA-N -1 1 324.352 3.712 20 0 DHADMM O=c1cc(C(F)F)nc(SCCc2ccccc2F)[n-]1 ZINC000567150204 1028846557 /nfs/dbraw/zinc/84/65/57/1028846557.db2.gz SYRHRGXRHPJZJE-UHFFFAOYSA-N -1 1 300.305 3.594 20 0 DHADMM CC1(C)CN(C(=O)c2c([O-])cccc2Cl)[C@@H]1c1cccnc1 ZINC000816801696 1029010206 /nfs/dbraw/zinc/01/02/06/1029010206.db2.gz TUOODRXXTVJMQA-OAHLLOKOSA-N -1 1 316.788 3.664 20 0 DHADMM C[C@H](c1ccc(F)cc1)N(C)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001135805540 1029061964 /nfs/dbraw/zinc/06/19/64/1029061964.db2.gz DMIBYWGZWZETGI-LLVKDONJSA-N -1 1 321.779 3.947 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000628961279 1029196767 /nfs/dbraw/zinc/19/67/67/1029196767.db2.gz ZKPPPCOKPKPVSX-RKDXNWHRSA-N -1 1 305.271 3.839 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000817631676 1029222613 /nfs/dbraw/zinc/22/26/13/1029222613.db2.gz DYXHRTKXMKQBCE-VIFPVBQESA-N -1 1 321.726 3.850 20 0 DHADMM CC(C)[C@@H](C(=O)Nc1cc(Cl)c([O-])c2ccccc12)[NH+](C)C ZINC000529538826 1029376617 /nfs/dbraw/zinc/37/66/17/1029376617.db2.gz KXFLKQFYOMNHCD-HNNXBMFYSA-N -1 1 320.820 3.724 20 0 DHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCCC2(CC2)CC1 ZINC000629647144 1029402390 /nfs/dbraw/zinc/40/23/90/1029402390.db2.gz YBNYGCQZZSDTCI-UHFFFAOYSA-N -1 1 313.319 3.817 20 0 DHADMM Cc1cccc(NC(=O)C(C#N)=C([O-])c2csc(Cl)c2)c1 ZINC000191374576 1029403975 /nfs/dbraw/zinc/40/39/75/1029403975.db2.gz DLTYLEOUSBCLAH-LBPRGKRZSA-N -1 1 318.785 3.671 20 0 DHADMM CC(C)[C@H]1CN(Cc2cc(C(=O)[O-])ccc2Cl)CCS1 ZINC000570730550 1029410250 /nfs/dbraw/zinc/41/02/50/1029410250.db2.gz WEJAJHMTCYQWAY-CQSZACIVSA-N -1 1 313.850 3.612 20 0 DHADMM CCCc1nc(C)c(CSc2nc(CCC)cc(=O)[n-]2)o1 ZINC000450630563 1029576135 /nfs/dbraw/zinc/57/61/35/1029576135.db2.gz TUNVJLVVMOKCOO-UHFFFAOYSA-N -1 1 307.419 3.676 20 0 DHADMM CC(C)Oc1ccc(NC(=O)c2cc3ccccc3cc2[O-])cn1 ZINC001136340563 1029727582 /nfs/dbraw/zinc/72/75/82/1029727582.db2.gz VMROQFIUMABZCW-UHFFFAOYSA-N -1 1 322.364 3.980 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cnc(Cl)cc2Cl)s1 ZINC000820799245 1029774294 /nfs/dbraw/zinc/77/42/94/1029774294.db2.gz GLUAHGMISMQKAV-UHFFFAOYSA-N -1 1 323.226 3.559 20 0 DHADMM COc1cnc(C=Cc2csc(-c3cccs3)n2)[n-]c1=O ZINC000821009237 1029804898 /nfs/dbraw/zinc/80/48/98/1029804898.db2.gz XVKLDEHMRSEZDE-PLNGDYQASA-N -1 1 317.395 3.546 20 0 DHADMM CC(C)Cc1cc([N-]S(=O)(=O)c2ccccc2C(C)C)[nH]n1 ZINC000469019526 1030018517 /nfs/dbraw/zinc/01/85/17/1030018517.db2.gz RBXFRPRVMXZOIU-UHFFFAOYSA-N -1 1 321.446 3.532 20 0 DHADMM [O-]c1ccc(F)cc1-c1nc(CC2CCC(F)(F)CC2)no1 ZINC000924258189 1030068811 /nfs/dbraw/zinc/06/88/11/1030068811.db2.gz XACBRTNDQNIAKN-UHFFFAOYSA-N -1 1 312.291 3.949 20 0 DHADMM CCSc1cccc(F)c1[N-]S(=O)(=O)c1ccsc1 ZINC000357542001 1030097298 /nfs/dbraw/zinc/09/72/98/1030097298.db2.gz ZDPOZGHNSGBHQT-UHFFFAOYSA-N -1 1 317.432 3.800 20 0 DHADMM C[C@H](C(=O)Nc1ccc(F)cc1[O-])c1cn(C)c2ccccc12 ZINC000357638071 1030134326 /nfs/dbraw/zinc/13/43/26/1030134326.db2.gz RRBCISDEKQIMQZ-NSHDSACASA-N -1 1 312.344 3.765 20 0 DHADMM COc1cc(C(=O)N(C)Cc2ccc(C)cc2)cc(Cl)c1[O-] ZINC000357683830 1030149234 /nfs/dbraw/zinc/14/92/34/1030149234.db2.gz GBHKVSNZUDHWCY-UHFFFAOYSA-N -1 1 319.788 3.635 20 0 DHADMM Cc1nc(-c2ccc(NCCCCC3CC3)nc2)[n-]c(=O)c1C ZINC000866183704 1030155842 /nfs/dbraw/zinc/15/58/42/1030155842.db2.gz APUBPOFQDBPHES-UHFFFAOYSA-N -1 1 312.417 3.853 20 0 DHADMM C[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CCC1(F)F ZINC000291054711 1030314709 /nfs/dbraw/zinc/31/47/09/1030314709.db2.gz XNKARGHWKQNVLI-LLVKDONJSA-N -1 1 305.324 3.663 20 0 DHADMM CCOc1cc(C(=O)N2CC[C@](C)(CC)C2)cc(Cl)c1[O-] ZINC000358113110 1030330200 /nfs/dbraw/zinc/33/02/00/1030330200.db2.gz XWVHXUHUCPIYED-INIZCTEOSA-N -1 1 311.809 3.707 20 0 DHADMM C[C@@H](NC(=O)c1cccc([O-])c1F)c1nc2ccccc2s1 ZINC001136818321 1030470895 /nfs/dbraw/zinc/47/08/95/1030470895.db2.gz TVNVUBJGMCCKFK-SECBINFHSA-N -1 1 316.357 3.632 20 0 DHADMM CC[S@@](C)(=O)=NC(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000925848477 1030522804 /nfs/dbraw/zinc/52/28/04/1030522804.db2.gz BEOYJZVCSFRDFQ-OAQYLSRUSA-N -1 1 311.447 3.897 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CC2(CCC2)[C@H]1C1CC1 ZINC000292009948 1030754988 /nfs/dbraw/zinc/75/49/88/1030754988.db2.gz YNHFMRINZQVPEA-GOSISDBHSA-N -1 1 307.393 3.950 20 0 DHADMM CC[C@H](COC(=O)Cc1ccc([O-])c(Cl)c1)CC(F)F ZINC000869734064 1030848674 /nfs/dbraw/zinc/84/86/74/1030848674.db2.gz BDZDVYZFIULANW-VIFPVBQESA-N -1 1 306.736 3.813 20 0 DHADMM Cc1ccc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])c(Cl)c1 ZINC000319816922 1030865906 /nfs/dbraw/zinc/86/59/06/1030865906.db2.gz VPDDUPZPGRYKQM-KRWDZBQOSA-N -1 1 315.800 3.660 20 0 DHADMM COc1cc(C(=O)Nc2ccc3c(c2)CCC3)cc(Cl)c1[O-] ZINC000359290892 1030887261 /nfs/dbraw/zinc/88/72/61/1030887261.db2.gz BZVONVNUKLIFRP-UHFFFAOYSA-N -1 1 317.772 3.795 20 0 DHADMM O=c1oc2cc([O-])ccc2cc1Nc1cc(Cl)nc(Cl)c1 ZINC001212092217 1031001913 /nfs/dbraw/zinc/00/19/13/1031001913.db2.gz NWKBFEICVPMMCI-UHFFFAOYSA-N -1 1 323.135 3.944 20 0 DHADMM O=C(c1cccc([O-])c1F)N1CCC[C@H](Cc2ccccc2)C1 ZINC001144010217 1031172293 /nfs/dbraw/zinc/17/22/93/1031172293.db2.gz DSBNASMSCQKUBC-OAHLLOKOSA-N -1 1 313.372 3.626 20 0 DHADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1csc(-c2cccs2)n1 ZINC000263341814 1031186582 /nfs/dbraw/zinc/18/65/82/1031186582.db2.gz NPWLSFLGKSAQBF-WDEREUQCSA-N -1 1 322.455 3.557 20 0 DHADMM Cc1noc(C(C)C)c1[N-]C(=O)c1csc(C(F)(F)F)n1 ZINC000928787484 1031383060 /nfs/dbraw/zinc/38/30/60/1031383060.db2.gz LURXAJBEGUAQIK-UHFFFAOYSA-N -1 1 319.308 3.834 20 0 DHADMM CCOc1cc(C(=O)NC(C)(C)/C=C/Cl)cc(Cl)c1[O-] ZINC000928938941 1031410038 /nfs/dbraw/zinc/41/00/38/1031410038.db2.gz WYXNLFWJBADXKP-AATRIKPKSA-N -1 1 318.200 3.705 20 0 DHADMM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000844936710 1031410361 /nfs/dbraw/zinc/41/03/61/1031410361.db2.gz WJWRAHLQRWZXDS-PRHODGIISA-N -1 1 321.726 3.796 20 0 DHADMM [O-]c1cccc(CNc2ccc(O[C@H]3CCOC3)cc2)c1Cl ZINC000293499839 1031490697 /nfs/dbraw/zinc/49/06/97/1031490697.db2.gz HEILFDYHDPDFGJ-HNNXBMFYSA-N -1 1 319.788 3.825 20 0 DHADMM CCc1ccc([C@H](COC)NCc2cccc([O-])c2Cl)o1 ZINC000293495756 1031492245 /nfs/dbraw/zinc/49/22/45/1031492245.db2.gz GVEDQTLNDBCLME-ZDUSSCGKSA-N -1 1 309.793 3.678 20 0 DHADMM CC1(C)CN(C(=O)c2ccc(Cl)cc2[O-])[C@H]1c1cccnc1 ZINC000293740454 1031596048 /nfs/dbraw/zinc/59/60/48/1031596048.db2.gz LHNVHWSFZQGBLK-HNNXBMFYSA-N -1 1 316.788 3.664 20 0 DHADMM Cc1cccnc1C(F)(F)C(=O)[N-][C@H](C(C)(C)C)C(F)(F)F ZINC000783837244 1031695164 /nfs/dbraw/zinc/69/51/64/1031695164.db2.gz BVVGTSMWVHAKJK-SNVBAGLBSA-N -1 1 324.293 3.575 20 0 DHADMM [O-]c1cc(F)c(CN2CCCC[C@H]2c2cccnc2)c(F)c1 ZINC001144554728 1031702137 /nfs/dbraw/zinc/70/21/37/1031702137.db2.gz FFUDCHYUHPZNSI-KRWDZBQOSA-N -1 1 304.340 3.793 20 0 DHADMM Cc1ccc([C@@H]2CCCN2Cc2c(F)cc([O-])cc2F)cn1 ZINC001144558910 1031709863 /nfs/dbraw/zinc/70/98/63/1031709863.db2.gz FIZNKACDINUDGU-KRWDZBQOSA-N -1 1 304.340 3.711 20 0 DHADMM [O-]c1cc(F)c(CN2CCc3c4ccccc4oc3C2)c(F)c1 ZINC001144561677 1031713000 /nfs/dbraw/zinc/71/30/00/1031713000.db2.gz LJLSZQQLOFFCDT-UHFFFAOYSA-N -1 1 315.319 3.975 20 0 DHADMM CCN(Cc1cccc(OC)c1)Cc1cc(F)c([O-])cc1F ZINC001144658524 1031813370 /nfs/dbraw/zinc/81/33/70/1031813370.db2.gz ZZCDCSFCKPBWJL-UHFFFAOYSA-N -1 1 307.340 3.701 20 0 DHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000897908262 1031876482 /nfs/dbraw/zinc/87/64/82/1031876482.db2.gz FCRZKESRTBSVMN-ROUUACIJSA-N -1 1 323.392 3.512 20 0 DHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1C[C@@H]2CCCC[C@@H]2C1 ZINC000897903672 1031877456 /nfs/dbraw/zinc/87/74/56/1031877456.db2.gz ZPTHFYZIFSZYHS-OKILXGFUSA-N -1 1 311.381 3.513 20 0 DHADMM CCc1onc(-c2ccccc2)c1C(=O)[N-]c1c(C)noc1C ZINC000361645641 1032034143 /nfs/dbraw/zinc/03/41/43/1032034143.db2.gz SJVDZGIQBPSAFB-UHFFFAOYSA-N -1 1 311.341 3.761 20 0 DHADMM CCN(C(=O)c1cc(Br)ccc1[O-])[C@H](C)C(C)C ZINC000553071750 1033590081 /nfs/dbraw/zinc/59/00/81/1033590081.db2.gz XQSAIWGKGOEUFR-SNVBAGLBSA-N -1 1 314.223 3.661 20 0 DHADMM [O-]c1cnccc1-c1nc(-c2cccc(-c3ccncc3)c2)no1 ZINC001212722393 1033685700 /nfs/dbraw/zinc/68/57/00/1033685700.db2.gz DPIWNQUVIFIJML-UHFFFAOYSA-N -1 1 316.320 3.566 20 0 DHADMM Cc1c(-c2noc(-c3ccncc3[O-])n2)cccc1C(F)(F)F ZINC001212721441 1033701099 /nfs/dbraw/zinc/70/10/99/1033701099.db2.gz QQFNLZWANFKOCU-UHFFFAOYSA-N -1 1 321.258 3.831 20 0 DHADMM CCc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1 ZINC000479513586 1033793774 /nfs/dbraw/zinc/79/37/74/1033793774.db2.gz JEZFLIUPJRPNCL-UHFFFAOYSA-N -1 1 318.423 3.660 20 0 DHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(SC)cc2)c1 ZINC001173812271 1033856263 /nfs/dbraw/zinc/85/62/63/1033856263.db2.gz AYCFIPPXQONAGI-UHFFFAOYSA-N -1 1 323.439 3.651 20 0 DHADMM CC(C)c1ccc(Nc2cc(S(C)(=O)=O)ccc2[O-])cc1 ZINC001173894917 1033927386 /nfs/dbraw/zinc/92/73/86/1033927386.db2.gz ANQGNUQKOHNAAQ-UHFFFAOYSA-N -1 1 305.399 3.663 20 0 DHADMM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cc(F)ccc1[O-] ZINC001137144227 1033988161 /nfs/dbraw/zinc/98/81/61/1033988161.db2.gz OKWDUSAYHXVMFE-BMLIUANNSA-N -1 1 317.335 3.724 20 0 DHADMM CNC(=O)c1cccc(Nc2cc(Cl)c([O-])cc2Cl)c1 ZINC001174141060 1034166411 /nfs/dbraw/zinc/16/64/11/1034166411.db2.gz PDQGWRUBVXMAFL-UHFFFAOYSA-N -1 1 311.168 3.802 20 0 DHADMM CC(C)NC(=O)c1cccc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001174187769 1034206535 /nfs/dbraw/zinc/20/65/35/1034206535.db2.gz KQAMHDUHEQOTPG-UHFFFAOYSA-N -1 1 306.312 3.552 20 0 DHADMM [O-]c1c(Br)c(F)ccc1Nc1cccc2n[nH]cc21 ZINC001174344970 1034307213 /nfs/dbraw/zinc/30/72/13/1034307213.db2.gz HPBSYYXRDMFCII-UHFFFAOYSA-N -1 1 322.137 3.914 20 0 DHADMM [O-]c1c(Br)c(F)ccc1Nc1cccc2[nH]ncc21 ZINC001174344970 1034307230 /nfs/dbraw/zinc/30/72/30/1034307230.db2.gz HPBSYYXRDMFCII-UHFFFAOYSA-N -1 1 322.137 3.914 20 0 DHADMM Cc1c(Nc2c(Cl)ccc(Br)c2[O-])cnn1C ZINC001174393330 1034314879 /nfs/dbraw/zinc/31/48/79/1034314879.db2.gz CZUSOAIFPSMEJW-UHFFFAOYSA-N -1 1 316.586 3.594 20 0 DHADMM CC(C)Cc1ccc([C@H](C)C(=O)[N-]OCc2cccnc2)cc1 ZINC000128431865 1034331553 /nfs/dbraw/zinc/33/15/53/1034331553.db2.gz HLDWZCDCYFCJLJ-HNNXBMFYSA-N -1 1 312.413 3.632 20 0 DHADMM Cn1ccc2ccc(Nc3cc4ccc([O-])cc4oc3=O)cc21 ZINC001174516017 1034472159 /nfs/dbraw/zinc/47/21/59/1034472159.db2.gz YKAJKJFAQOJDIZ-UHFFFAOYSA-N -1 1 306.321 3.734 20 0 DHADMM CCCCc1nnc([N-]C(=O)c2conc2C2CCCC2)s1 ZINC000864969552 1034486801 /nfs/dbraw/zinc/48/68/01/1034486801.db2.gz RHFRLTPGLMCKTA-UHFFFAOYSA-N -1 1 320.418 3.779 20 0 DHADMM Cc1noc(C)c1[N-]C(=O)c1ccc(SC(F)(F)F)o1 ZINC000865034631 1034505018 /nfs/dbraw/zinc/50/50/18/1034505018.db2.gz WLLCZEJQIVVYHM-UHFFFAOYSA-N -1 1 306.265 3.749 20 0 DHADMM CCc1c(C)cc(Nc2cc(S(C)(=O)=O)ccc2[O-])cc1C ZINC001174678306 1034545934 /nfs/dbraw/zinc/54/59/34/1034545934.db2.gz AJWHQKWKVVGDKY-UHFFFAOYSA-N -1 1 319.426 3.719 20 0 DHADMM Cc1ccccc1C(=O)CSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000865373409 1034612642 /nfs/dbraw/zinc/61/26/42/1034612642.db2.gz SVYGWFXPGRLLSC-UHFFFAOYSA-N -1 1 314.410 3.651 20 0 DHADMM O=C(CSc1nc2ccccc2s1)c1ccc([O-])cc1 ZINC000015652187 1034649155 /nfs/dbraw/zinc/64/91/55/1034649155.db2.gz KJTUDNZTZSTNMX-UHFFFAOYSA-N -1 1 301.392 3.977 20 0 DHADMM C[C@@H](Cc1ccsc1)N(C)C(=O)c1c([O-])cccc1Cl ZINC001137167405 1034656104 /nfs/dbraw/zinc/65/61/04/1034656104.db2.gz GZLHEWOROAFRSF-JTQLQIEISA-N -1 1 309.818 3.810 20 0 DHADMM O=c1oc2cc([O-])ccc2cc1Nc1ccc(F)c(F)c1F ZINC001174967647 1034715306 /nfs/dbraw/zinc/71/53/06/1034715306.db2.gz QNZCMRHPYJSELR-UHFFFAOYSA-N -1 1 307.227 3.660 20 0 DHADMM O=C(C[C@@H](c1ccccc1)C(F)(F)F)[N-]Oc1ccccc1 ZINC000773464667 1034831230 /nfs/dbraw/zinc/83/12/30/1034831230.db2.gz DIOFLCXMIZTDNV-AWEZNQCLSA-N -1 1 309.287 3.833 20 0 DHADMM CCOc1ccc(Nc2cc3ccc([O-])cc3oc2=O)cc1C ZINC001175166760 1034852209 /nfs/dbraw/zinc/85/22/09/1034852209.db2.gz LAPAATYGDKQZNV-UHFFFAOYSA-N -1 1 311.337 3.949 20 0 DHADMM CCOc1ccc(Nc2cc3ccc([O-])cc3oc2=O)c(C)c1 ZINC001175243291 1034887032 /nfs/dbraw/zinc/88/70/32/1034887032.db2.gz WPVAUSQRLCRVSB-UHFFFAOYSA-N -1 1 311.337 3.949 20 0 DHADMM O=C([O-])c1cc(Cl)ccc1CN1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001142647441 1034916329 /nfs/dbraw/zinc/91/63/29/1034916329.db2.gz WOZJAPQXGCBMPJ-PHIMTYICSA-N -1 1 315.747 3.515 20 0 DHADMM O=C([O-])c1cccc(Nc2ccncc2Oc2ccccc2)c1 ZINC001175328616 1034935214 /nfs/dbraw/zinc/93/52/14/1034935214.db2.gz MQBBPOSOXIASPP-UHFFFAOYSA-N -1 1 306.321 3.738 20 0 DHADMM [O-]c1c(Cl)cc(Cl)cc1Nc1ccc(-c2nn[nH]n2)cc1 ZINC001175430207 1034980706 /nfs/dbraw/zinc/98/07/06/1034980706.db2.gz KPUKBKHVKQGRBS-UHFFFAOYSA-N -1 1 322.155 3.623 20 0 DHADMM CCNC(=O)c1ccc(Nc2cc([O-])c(Cl)cc2F)cc1 ZINC001175632983 1035055383 /nfs/dbraw/zinc/05/53/83/1035055383.db2.gz QAZXOPQZCRSGEY-UHFFFAOYSA-N -1 1 308.740 3.678 20 0 DHADMM CSc1ccc([O-])c(C(=O)Nc2ccnn2[C@H](C)C2CC2)c1 ZINC000668015227 1035089675 /nfs/dbraw/zinc/08/96/75/1035089675.db2.gz XWZPLUMACFDQLE-SNVBAGLBSA-N -1 1 317.414 3.534 20 0 DHADMM CCC(CC)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000482549116 1035131880 /nfs/dbraw/zinc/13/18/80/1035131880.db2.gz IMLQQYVPAPJEBS-UHFFFAOYSA-N -1 1 300.196 3.838 20 0 DHADMM COC(=O)C1(c2ccc(Nc3cc(F)c([O-])cc3F)cc2)CC1 ZINC001175921907 1035163578 /nfs/dbraw/zinc/16/35/78/1035163578.db2.gz NEIQXGWQTQWYEO-UHFFFAOYSA-N -1 1 319.307 3.619 20 0 DHADMM O=C(NCC[C@@H]1CCCC1(F)F)c1ccc(Cl)cc1[O-] ZINC001175959518 1035165424 /nfs/dbraw/zinc/16/54/24/1035165424.db2.gz VJOUVNDNEVKNBF-VIFPVBQESA-N -1 1 303.736 3.601 20 0 DHADMM Cc1nc2sccc2c(Nc2c(F)cc(F)c([O-])c2F)n1 ZINC001176664352 1035308578 /nfs/dbraw/zinc/30/85/78/1035308578.db2.gz VLMCPZURAOSJGW-UHFFFAOYSA-N -1 1 311.288 3.866 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cn3c(cccc3Cl)n2)c1F ZINC001176664294 1035308909 /nfs/dbraw/zinc/30/89/09/1035308909.db2.gz SQUUYRRYAVYRGX-UHFFFAOYSA-N -1 1 313.666 3.854 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cccc(-n3ccnc3)c2)c1F ZINC001176670517 1035310092 /nfs/dbraw/zinc/31/00/92/1035310092.db2.gz XKKBYLISEHMWKY-UHFFFAOYSA-N -1 1 305.259 3.739 20 0 DHADMM COc1cc(F)c(Nc2c(F)cc(F)c([O-])c2F)c(F)c1 ZINC001176671555 1035310222 /nfs/dbraw/zinc/31/02/22/1035310222.db2.gz GRSGWVAIIBEDSV-UHFFFAOYSA-N -1 1 305.202 3.840 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cc(Cl)ccc2CO)c1F ZINC001176670583 1035310263 /nfs/dbraw/zinc/31/02/63/1035310263.db2.gz GZAWIBNAXIRKAH-UHFFFAOYSA-N -1 1 303.667 3.699 20 0 DHADMM COC(=O)c1cc(C)cc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176670830 1035310268 /nfs/dbraw/zinc/31/02/68/1035310268.db2.gz MSCNKBVZFFLUFK-UHFFFAOYSA-N -1 1 311.259 3.648 20 0 DHADMM O=c1cc(C(F)(F)F)[nH]cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176664919 1035310313 /nfs/dbraw/zinc/31/03/13/1035310313.db2.gz YHUILJBUKATDKA-UHFFFAOYSA-N -1 1 324.180 3.673 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ccc(-n3cccn3)cc2)c1F ZINC001176671581 1035310392 /nfs/dbraw/zinc/31/03/92/1035310392.db2.gz IGQWGWNBBJPCHC-UHFFFAOYSA-N -1 1 305.259 3.739 20 0 DHADMM Cc1cc(C(=O)N(C)C)ccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176673343 1035311573 /nfs/dbraw/zinc/31/15/73/1035311573.db2.gz SXYSGFSCGBEMPD-UHFFFAOYSA-N -1 1 324.302 3.563 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cccc(Br)n2)c1F ZINC001176661855 1035316658 /nfs/dbraw/zinc/31/66/58/1035316658.db2.gz DTSBZYGCWSTMEC-UHFFFAOYSA-N -1 1 319.080 3.711 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2c(Cl)cncc2Cl)c1F ZINC001176662562 1035316952 /nfs/dbraw/zinc/31/69/52/1035316952.db2.gz RFAHYMQKRJTZPX-UHFFFAOYSA-N -1 1 309.074 3.677 20 0 DHADMM CC[C@@H](C)[C@H](C)N(C(=O)c1ncc2ccccc2c1[O-])C1CC1 ZINC000668314811 1035319423 /nfs/dbraw/zinc/31/94/23/1035319423.db2.gz YWMLDZSQFPEQEZ-OLZOCXBDSA-N -1 1 312.413 3.980 20 0 DHADMM C[C@H](C(=O)[O-])[C@@H](NCc1cscc1Cl)c1ccccc1 ZINC000904002901 1035338021 /nfs/dbraw/zinc/33/80/21/1035338021.db2.gz GNAVHTRDUKDCEG-IINYFYTJSA-N -1 1 309.818 3.953 20 0 DHADMM O=C(NCc1ccc([O-])c(Cl)c1)c1cnc2ccccc2c1 ZINC001176994289 1035343527 /nfs/dbraw/zinc/34/35/27/1035343527.db2.gz PVEQASGKQHNHLK-UHFFFAOYSA-N -1 1 312.756 3.524 20 0 DHADMM CC[C@@H](NCc1ccc(C(C)(C)C)s1)c1nc(C(=O)[O-])c[nH]1 ZINC000904064256 1035356888 /nfs/dbraw/zinc/35/68/88/1035356888.db2.gz HCCKBLMUANGIHU-LLVKDONJSA-N -1 1 321.446 3.708 20 0 DHADMM [O-]c1ccc(Cc2nc(Cc3ccccc3)no2)cc1Cl ZINC000904319182 1035399304 /nfs/dbraw/zinc/39/93/04/1035399304.db2.gz KRCORJANTLDFHO-UHFFFAOYSA-N -1 1 300.745 3.610 20 0 DHADMM CCc1cc(=O)[n-]c(S[C@@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000195072325 1035409119 /nfs/dbraw/zinc/40/91/19/1035409119.db2.gz SGFFQJIWKGAKQA-QMMMGPOBSA-N -1 1 312.797 3.978 20 0 DHADMM [O-]c1ccc(Cc2nc(CCc3ccccc3)no2)cc1Cl ZINC000904579767 1035426520 /nfs/dbraw/zinc/42/65/20/1035426520.db2.gz JTHMNCMOUYWOGA-UHFFFAOYSA-N -1 1 314.772 3.805 20 0 DHADMM Cc1c2cc[nH]c2ncc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC001178672899 1035440989 /nfs/dbraw/zinc/44/09/89/1035440989.db2.gz FBBLMGXYPXUALZ-UHFFFAOYSA-N -1 1 309.369 3.904 20 0 DHADMM CC1(CC(=O)NCCc2c(F)cc([O-])cc2F)CCCCC1 ZINC001178785589 1035447196 /nfs/dbraw/zinc/44/71/96/1035447196.db2.gz XVZKTPPSRJAMEI-UHFFFAOYSA-N -1 1 311.372 3.690 20 0 DHADMM C[C@]12CN(C(=O)c3c([O-])cccc3Cl)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001179444219 1035478103 /nfs/dbraw/zinc/47/81/03/1035478103.db2.gz BCMCUIIAWXJBLF-HBGPKNEHSA-N -1 1 305.805 3.554 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1ccnc(Cl)c1F ZINC001179659933 1035488048 /nfs/dbraw/zinc/48/80/48/1035488048.db2.gz JGEXTFFWHJUOFF-UHFFFAOYSA-N -1 1 319.094 3.625 20 0 DHADMM C[C@@H](NC(=O)Nc1cc(F)c([O-])c(F)c1)c1ccc(F)cc1 ZINC001193143310 1035574144 /nfs/dbraw/zinc/57/41/44/1035574144.db2.gz XAZFHKPOWOTVMC-MRVPVSSYSA-N -1 1 310.275 3.692 20 0 DHADMM COc1ccc(C(=O)Nc2ccccc2OCC(C)C)c([O-])c1 ZINC000195702833 1035640684 /nfs/dbraw/zinc/64/06/84/1035640684.db2.gz BAZHSDBRMLYKRU-UHFFFAOYSA-N -1 1 315.369 3.688 20 0 DHADMM C[C@@H](CCCC(C)(C)C(=O)[O-])NCc1nc(C(C)(C)C)co1 ZINC000905791033 1035655795 /nfs/dbraw/zinc/65/57/95/1035655795.db2.gz ZZXQYZWWNIKDKM-LBPRGKRZSA-N -1 1 310.438 3.731 20 0 DHADMM Cc1cc(F)ncc1C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001193631903 1035679321 /nfs/dbraw/zinc/67/93/21/1035679321.db2.gz SYKICIOEZIXVIS-UHFFFAOYSA-N -1 1 314.238 3.506 20 0 DHADMM O=C(Nc1nc2c(o1)CCCC2)c1ccc2ccccc2c1[O-] ZINC001180589388 1035725726 /nfs/dbraw/zinc/72/57/26/1035725726.db2.gz OCLRGYQTGYNMLB-UHFFFAOYSA-N -1 1 308.337 3.665 20 0 DHADMM COc1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)ccc1F ZINC000192278854 1035787147 /nfs/dbraw/zinc/78/71/47/1035787147.db2.gz STNDQSVXUFUANA-UHFFFAOYSA-N -1 1 310.712 3.837 20 0 DHADMM Cc1nc(SCc2cc(-c3ccccc3)on2)[n-]c(=O)c1C ZINC000539618423 1035796472 /nfs/dbraw/zinc/79/64/72/1035796472.db2.gz CISQTANEIHHANL-UHFFFAOYSA-N -1 1 313.382 3.746 20 0 DHADMM O=c1cc(C2CC2)nc(SCc2nc3ccccc3s2)[n-]1 ZINC000195084473 1035845710 /nfs/dbraw/zinc/84/57/10/1035845710.db2.gz WCWPQHIWXVUCKP-UHFFFAOYSA-N -1 1 315.423 3.962 20 0 DHADMM CCCCCCOC(=O)N=c1s[n-]c(C)c1C(=O)OCC ZINC001194158063 1035849939 /nfs/dbraw/zinc/84/99/39/1035849939.db2.gz ZVCKFLHBNKAQKF-UHFFFAOYSA-N -1 1 314.407 3.757 20 0 DHADMM O=S(=O)([N-]c1cccc(C(F)F)c1)c1ccc2c(c1)CCC2 ZINC000195451727 1035898171 /nfs/dbraw/zinc/89/81/71/1035898171.db2.gz FGMVMDKTVLMOCA-UHFFFAOYSA-N -1 1 323.364 3.914 20 0 DHADMM [O-]c1cc(F)c(Nc2cnc(C(F)(F)F)cn2)cc1Cl ZINC001250020573 1035977748 /nfs/dbraw/zinc/97/77/48/1035977748.db2.gz XCNGLTHUODVVIV-UHFFFAOYSA-N -1 1 307.634 3.737 20 0 DHADMM Cc1[nH]c2c(cccc2NC(=O)c2c[n-]c(C(F)(F)F)n2)c1C ZINC001194783497 1036018766 /nfs/dbraw/zinc/01/87/66/1036018766.db2.gz OTBAGMNYYBXNQQ-UHFFFAOYSA-N -1 1 322.290 3.779 20 0 DHADMM C[Si](C)(C)CCS(=O)(=O)[N-]c1cc2ccccc2s1 ZINC001195041167 1036110678 /nfs/dbraw/zinc/11/06/78/1036110678.db2.gz PVHCWIUIPSGLHT-UHFFFAOYSA-N -1 1 313.520 3.981 20 0 DHADMM Cn1cc(C(=O)Nc2ccc([O-])c(Cl)c2)c(C2CCCC2)n1 ZINC000907092888 1036145375 /nfs/dbraw/zinc/14/53/75/1036145375.db2.gz NWRSHTVZDJQEDR-UHFFFAOYSA-N -1 1 319.792 3.689 20 0 DHADMM CCC[C@H](C(=O)Nc1c(C)[n-][nH]c1=O)c1ccc(Cl)cc1 ZINC000615227051 1036151657 /nfs/dbraw/zinc/15/16/57/1036151657.db2.gz OKKIXXBGTWRSQE-LBPRGKRZSA-N -1 1 307.781 3.600 20 0 DHADMM CC(C)(C)c1nnc([N-]C(=O)c2cc(Cl)c(Cl)s2)o1 ZINC001195168964 1036167063 /nfs/dbraw/zinc/16/70/63/1036167063.db2.gz BDVFKHZDPZTTFM-UHFFFAOYSA-N -1 1 320.201 3.988 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1ccc(OC2CCCCC2)cc1 ZINC001195490618 1036270184 /nfs/dbraw/zinc/27/01/84/1036270184.db2.gz KNXRVTHAZLOQGL-UHFFFAOYSA-N -1 1 322.430 3.841 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1ccc(-c2ccccc2)c(F)c1 ZINC001195495175 1036271577 /nfs/dbraw/zinc/27/15/77/1036271577.db2.gz WLVJGCYKUALVTQ-UHFFFAOYSA-N -1 1 318.373 3.936 20 0 DHADMM CC(C)CN(CC(C)C)C(=O)c1ncc2ccccc2c1[O-] ZINC000668665984 1036352121 /nfs/dbraw/zinc/35/21/21/1036352121.db2.gz BFWMIAOPGMULDT-UHFFFAOYSA-N -1 1 300.402 3.695 20 0 DHADMM Cc1ccc(F)cc1NC(=S)Nc1ccc([O-])c(F)c1F ZINC001195905382 1036383111 /nfs/dbraw/zinc/38/31/11/1036383111.db2.gz AUMUNQUSTFOUHT-UHFFFAOYSA-N -1 1 312.316 3.927 20 0 DHADMM O=C(c1c([O-])cnc2c(F)cccc21)N(C1CCC1)C1CCC1 ZINC000908362409 1036390620 /nfs/dbraw/zinc/39/06/20/1036390620.db2.gz BUOTXYCTWQJFNV-UHFFFAOYSA-N -1 1 314.360 3.627 20 0 DHADMM Cc1cc(F)ccc1NC(=S)Nc1cc([O-])c(F)cc1F ZINC001196116986 1036456186 /nfs/dbraw/zinc/45/61/86/1036456186.db2.gz KKASMSCDBONXOT-UHFFFAOYSA-N -1 1 312.316 3.927 20 0 DHADMM C[C@H]1CCC[C@]1(C)C(=O)Nc1cccc([O-])c1Br ZINC000908707896 1036486200 /nfs/dbraw/zinc/48/62/00/1036486200.db2.gz ODKVTDLXFAMAMP-XPTSAGLGSA-N -1 1 312.207 3.920 20 0 DHADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)Nc1cccc([O-])c1Br ZINC000908718074 1036477258 /nfs/dbraw/zinc/47/72/58/1036477258.db2.gz QVTDJTTZHUTRGY-RKDXNWHRSA-N -1 1 312.207 3.775 20 0 DHADMM CC[C@@H](C)[C@H](C)C(=O)Nc1cccc([O-])c1Br ZINC000908708772 1036485888 /nfs/dbraw/zinc/48/58/88/1036485888.db2.gz DKQVKIKASYHFNO-BDAKNGLRSA-N -1 1 300.196 3.775 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)[C@@H]1CC2CCC1CC2 ZINC000908707780 1036486226 /nfs/dbraw/zinc/48/62/26/1036486226.db2.gz KOQWBQZVBJWDJQ-VQXHTEKXSA-N -1 1 324.218 3.920 20 0 DHADMM Cc1cnc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c([O-])c1 ZINC000669936887 1036616138 /nfs/dbraw/zinc/61/61/38/1036616138.db2.gz AJASJAMEVDDOTH-BJWYYQGGSA-N -1 1 322.408 3.646 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000909986978 1036733132 /nfs/dbraw/zinc/73/31/32/1036733132.db2.gz FRRCCXAAYZNFRE-RQJHMYQMSA-N -1 1 309.234 3.588 20 0 DHADMM C[C@@]1(CC(=O)Nc2cc([O-])c(F)cc2F)CC1(Cl)Cl ZINC000909988131 1036740685 /nfs/dbraw/zinc/74/06/85/1036740685.db2.gz WXSYZFCGFAZOSU-LLVKDONJSA-N -1 1 310.127 3.583 20 0 DHADMM O=S(=O)(Cc1cccc(Cl)c1Cl)[N-]c1ccoc1 ZINC001197726052 1036860822 /nfs/dbraw/zinc/86/08/22/1036860822.db2.gz OEUQOLHYEFPTFQ-UHFFFAOYSA-N -1 1 306.170 3.528 20 0 DHADMM O=C(C[C@]12CCCC[C@H]1C2(F)F)Nc1cc(F)cc(F)c1[O-] ZINC000910985464 1037018687 /nfs/dbraw/zinc/01/86/87/1037018687.db2.gz CNWOXQOZYLGKJZ-BXUZGUMPSA-N -1 1 317.282 3.825 20 0 DHADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000910981884 1037020190 /nfs/dbraw/zinc/02/01/90/1037020190.db2.gz SUMJLKWBNOEOPK-JGVFFNPUSA-N -1 1 323.261 3.978 20 0 DHADMM O=C(Nc1cc(F)cc(F)c1[O-])C12CC(c3ccccc3)(C1)C2 ZINC000910995654 1037024525 /nfs/dbraw/zinc/02/45/25/1037024525.db2.gz ZBXJFBWYLCOGTM-UHFFFAOYSA-N -1 1 315.319 3.731 20 0 DHADMM O=C(Nc1ccc(F)c(F)c1F)Nc1c(F)cc([O-])cc1F ZINC001185336969 1037116196 /nfs/dbraw/zinc/11/61/96/1037116196.db2.gz ZRWJNASPCGQNGZ-UHFFFAOYSA-N -1 1 318.201 3.732 20 0 DHADMM O=S(=O)([N-]c1cccc2c1CCC2)c1ccc2occc2c1 ZINC001198816956 1037138498 /nfs/dbraw/zinc/13/84/98/1037138498.db2.gz TUDZYRLVFUBWKX-UHFFFAOYSA-N -1 1 313.378 3.722 20 0 DHADMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198817358 1037143228 /nfs/dbraw/zinc/14/32/28/1037143228.db2.gz ZKLGCEQILYWIPV-UHFFFAOYSA-N -1 1 301.367 3.850 20 0 DHADMM O=C(Nc1ccc2c(c1)CCC2)Nc1cc(F)cc(F)c1[O-] ZINC001185765767 1037230684 /nfs/dbraw/zinc/23/06/84/1037230684.db2.gz JGCHXWUVSKDWJG-UHFFFAOYSA-N -1 1 304.296 3.803 20 0 DHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccccc1C1CC1 ZINC001185790762 1037232401 /nfs/dbraw/zinc/23/24/01/1037232401.db2.gz MFRCVQXIYWOUQM-UHFFFAOYSA-N -1 1 305.374 3.812 20 0 DHADMM CCCOc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1 ZINC001185824732 1037251455 /nfs/dbraw/zinc/25/14/55/1037251455.db2.gz JUQMWVOHPPQJIP-UHFFFAOYSA-N -1 1 323.389 3.724 20 0 DHADMM O=c1nc(Cl)cc(Oc2ccccc2OC(F)(F)F)[n-]1 ZINC001186033789 1037300057 /nfs/dbraw/zinc/30/00/57/1037300057.db2.gz GBKGVLMEOPLOQE-UHFFFAOYSA-N -1 1 306.627 3.527 20 0 DHADMM Cc1ccc(OC(C)C)cc1NC(=O)c1ccc([O-])c(F)c1 ZINC001186226969 1037336899 /nfs/dbraw/zinc/33/68/99/1037336899.db2.gz WQKODEXAWQALKK-UHFFFAOYSA-N -1 1 303.333 3.879 20 0 DHADMM O=C(Nc1ccccc1-c1ccncc1)c1ccc([O-])c(F)c1 ZINC001186225380 1037337011 /nfs/dbraw/zinc/33/70/11/1037337011.db2.gz BKJLRSHZGHMKBF-UHFFFAOYSA-N -1 1 308.312 3.846 20 0 DHADMM O=C(Nc1ccc(-c2cccnc2)cc1)c1ccc([O-])c(F)c1 ZINC001186225952 1037338100 /nfs/dbraw/zinc/33/81/00/1037338100.db2.gz HXAFPZRCMSBAED-UHFFFAOYSA-N -1 1 308.312 3.846 20 0 DHADMM CC[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(F)c(F)c1 ZINC001186243076 1037340642 /nfs/dbraw/zinc/34/06/42/1037340642.db2.gz XFGUIBXLHDMLKX-CQSZACIVSA-N -1 1 309.287 3.691 20 0 DHADMM [O-]c1cc(F)c(NC(=S)NC2CCCCCC2)cc1F ZINC001199972277 1037392299 /nfs/dbraw/zinc/39/22/99/1037392299.db2.gz XHIIXTPZQYPXKK-UHFFFAOYSA-N -1 1 300.374 3.680 20 0 DHADMM [O-]c1c(F)cc(F)cc1NC(=S)NC1CCCCCC1 ZINC001199972346 1037393030 /nfs/dbraw/zinc/39/30/30/1037393030.db2.gz SFRQQJRYQWBSEV-UHFFFAOYSA-N -1 1 300.374 3.680 20 0 DHADMM O=C(Nc1c([O-])cccc1F)N[C@H]1CCCc2ccccc21 ZINC001186453525 1037403229 /nfs/dbraw/zinc/40/32/29/1037403229.db2.gz PKLPWFUJGITKSM-AWEZNQCLSA-N -1 1 300.333 3.730 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1F)NC12CC3CC(CC(C3)C1)C2 ZINC001186687513 1037465910 /nfs/dbraw/zinc/46/59/10/1037465910.db2.gz ZWFSDKLGCAGHFS-UHFFFAOYSA-N -1 1 322.355 3.761 20 0 DHADMM [O-]c1cnc(Cl)cc1NC(=S)Nc1cccc(Cl)c1 ZINC001201096322 1037524494 /nfs/dbraw/zinc/52/44/94/1037524494.db2.gz HLZKWIPYEZQRHN-UHFFFAOYSA-N -1 1 314.197 3.903 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)s1 ZINC000032532473 1037576571 /nfs/dbraw/zinc/57/65/71/1037576571.db2.gz NRWVGUHRVRUBPT-UHFFFAOYSA-N -1 1 305.783 3.650 20 0 DHADMM O=S(=O)(CCc1cccc2ccccc21)[N-]c1cccs1 ZINC001187616376 1037674306 /nfs/dbraw/zinc/67/43/06/1037674306.db2.gz ZOFHBZSGUOUYAS-UHFFFAOYSA-N -1 1 317.435 3.886 20 0 DHADMM CC[C@@H](C)c1cccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)c1 ZINC000912979616 1037681900 /nfs/dbraw/zinc/68/19/00/1037681900.db2.gz AQVFEXJKBBCNOE-LLVKDONJSA-N -1 1 311.385 3.825 20 0 DHADMM CC[C@H](C)c1cccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)c1 ZINC000912979617 1037682577 /nfs/dbraw/zinc/68/25/77/1037682577.db2.gz AQVFEXJKBBCNOE-NSHDSACASA-N -1 1 311.385 3.825 20 0 DHADMM O=S(=O)([N-]c1ccc(Cl)cc1C(F)(F)F)C1CCC1 ZINC001188130770 1037819369 /nfs/dbraw/zinc/81/93/69/1037819369.db2.gz QFJSSSLJNVJXNW-UHFFFAOYSA-N -1 1 313.728 3.653 20 0 DHADMM CCCC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1F)C1CCC1 ZINC001188239167 1037846897 /nfs/dbraw/zinc/84/68/97/1037846897.db2.gz OWHLLGKGQXXCGH-CYBMUJFWSA-N -1 1 317.401 3.602 20 0 DHADMM O=C(Nc1ccccc1C(F)F)c1ncc(C(F)(F)F)[n-]1 ZINC001188287108 1037867238 /nfs/dbraw/zinc/86/72/38/1037867238.db2.gz DTTJCNVDTARYEX-UHFFFAOYSA-N -1 1 305.206 3.618 20 0 DHADMM O=C(Nc1ccccc1C(F)F)c1nc(C(F)(F)F)c[n-]1 ZINC001188287108 1037867256 /nfs/dbraw/zinc/86/72/56/1037867256.db2.gz DTTJCNVDTARYEX-UHFFFAOYSA-N -1 1 305.206 3.618 20 0 DHADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccnc(F)c2)c(C)c1C ZINC001201792690 1037896396 /nfs/dbraw/zinc/89/63/96/1037896396.db2.gz NXILIRQLITULMF-UHFFFAOYSA-N -1 1 322.405 3.564 20 0 DHADMM O=C(c1ccc(Br)cc1[O-])N1CCCCCCC1 ZINC000044490530 1037899617 /nfs/dbraw/zinc/89/96/17/1037899617.db2.gz MTBYIEPULXJAQB-UHFFFAOYSA-N -1 1 312.207 3.561 20 0 DHADMM CC(C)OCc1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000063849510 1037911733 /nfs/dbraw/zinc/91/17/33/1037911733.db2.gz WPKVPCVSVFVXQV-UHFFFAOYSA-N -1 1 323.389 3.552 20 0 DHADMM COC(=O)c1c[n-]c(SCc2ccc(Cl)cc2Cl)n1 ZINC000187586907 1037981878 /nfs/dbraw/zinc/98/18/78/1037981878.db2.gz WAJUDHLHCINHBU-UHFFFAOYSA-N -1 1 317.197 3.795 20 0 DHADMM Cc1ccc(-c2cc(C(=O)Oc3ccccc3Cl)[nH]n2)o1 ZINC000916851458 1037991627 /nfs/dbraw/zinc/99/16/27/1037991627.db2.gz NYLHFLGUTVZVSI-UHFFFAOYSA-N -1 1 302.717 3.851 20 0 DHADMM O=S(=O)(CC1CC1)[N-]c1cc(-c2ccccc2)cc(Cl)n1 ZINC001188938633 1038017254 /nfs/dbraw/zinc/01/72/54/1038017254.db2.gz NORNRIZDGKOWPT-UHFFFAOYSA-N -1 1 322.817 3.554 20 0 DHADMM Cc1cccc(C)c1NC(=O)Nc1cc2ccc([O-])cc2oc1=O ZINC001202198606 1038103213 /nfs/dbraw/zinc/10/32/13/1038103213.db2.gz KIKADPRQGWLJQG-UHFFFAOYSA-N -1 1 324.336 3.759 20 0 DHADMM O=S(=O)(Cc1ccc(F)cc1F)[N-]c1cccc2occc21 ZINC001189831365 1038225368 /nfs/dbraw/zinc/22/53/68/1038225368.db2.gz MWKYZICBERBORX-UHFFFAOYSA-N -1 1 323.320 3.653 20 0 DHADMM CCCCOc1ccc(C(=O)Nc2c(C)[n-][nH]c2=O)c(Cl)c1 ZINC000615219738 1038290292 /nfs/dbraw/zinc/29/02/92/1038290292.db2.gz BRTCCZNWVIJLOC-UHFFFAOYSA-N -1 1 323.780 3.508 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2cccc([C@@H](C)OC)c2)cc1 ZINC000588834006 1038383308 /nfs/dbraw/zinc/38/33/08/1038383308.db2.gz YXQYCFPBDBEVJR-CYBMUJFWSA-N -1 1 319.426 3.757 20 0 DHADMM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1)c1ccncc1 ZINC001190888586 1038402217 /nfs/dbraw/zinc/40/22/17/1038402217.db2.gz XFIJNNVXPMZDST-UHFFFAOYSA-N -1 1 310.378 3.549 20 0 DHADMM COc1cc(C(=O)Nc2ccc3c(c2)N=NC3)cc(Cl)c1[O-] ZINC001191148187 1038449893 /nfs/dbraw/zinc/44/98/93/1038449893.db2.gz HJTWYLFNRHNSCK-UHFFFAOYSA-N -1 1 317.732 3.904 20 0 DHADMM CC(C)(NC(=O)c1ccccc1C(=O)c1ccc([O-])cc1)C1CC1 ZINC001191511373 1038512491 /nfs/dbraw/zinc/51/24/91/1038512491.db2.gz URDUKFQQBWAZTI-UHFFFAOYSA-N -1 1 323.392 3.542 20 0 DHADMM COc1ccsc1C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001191767197 1038536934 /nfs/dbraw/zinc/53/69/34/1038536934.db2.gz JPPDGBLAMZKODX-UHFFFAOYSA-N -1 1 317.288 3.733 20 0 DHADMM CCOc1ccc(C)cc1NC(=O)c1c(F)ccc([O-])c1F ZINC001192539829 1038677986 /nfs/dbraw/zinc/67/79/86/1038677986.db2.gz JZGDVPYPUWJBPV-UHFFFAOYSA-N -1 1 307.296 3.630 20 0 DHADMM Cc1cc2ccc(NC(=O)c3c(F)ccc([O-])c3F)cc2[nH]1 ZINC001192539855 1038678860 /nfs/dbraw/zinc/67/88/60/1038678860.db2.gz MDPAJMUAHXUBPC-UHFFFAOYSA-N -1 1 302.280 3.712 20 0 DHADMM O=C(Nc1ccccc1-c1cnco1)c1c(F)ccc([O-])c1F ZINC001192538845 1038679516 /nfs/dbraw/zinc/67/95/16/1038679516.db2.gz CAEOSDAXYKZUIX-UHFFFAOYSA-N -1 1 316.263 3.578 20 0 DHADMM O=C(Nc1nc2ccccc2s1)c1cc([O-])cc(F)c1F ZINC001192652578 1038686955 /nfs/dbraw/zinc/68/69/55/1038686955.db2.gz MSWFMVGJDRWOAC-UHFFFAOYSA-N -1 1 306.293 3.532 20 0 DHADMM CC1(C)CN(C(=O)c2cc([O-])cc(F)c2F)Cc2ccccc21 ZINC001192664556 1038693588 /nfs/dbraw/zinc/69/35/88/1038693588.db2.gz CATQNPKGERQHMS-UHFFFAOYSA-N -1 1 317.335 3.604 20 0 DHADMM CC(C)CC[N@@H+](C)Cn1c(CCC2CCCC2)n[nH]c1=S ZINC000058206446 1039020574 /nfs/dbraw/zinc/02/05/74/1039020574.db2.gz VIZIQFQBKOPJAE-UHFFFAOYSA-N -1 1 310.511 3.999 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC(CC(C)C)CC1 ZINC000760942377 1039140245 /nfs/dbraw/zinc/14/02/45/1039140245.db2.gz WTZARBSPXHPKLP-UHFFFAOYSA-N -1 1 319.449 3.512 20 0 DHADMM C[C@@H](CC1CCCC1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000603964723 1039251431 /nfs/dbraw/zinc/25/14/31/1039251431.db2.gz BOOCMRMMCPMUBH-LBPRGKRZSA-N -1 1 313.401 3.937 20 0 DHADMM Cc1sc(-c2ccco2)nc1C(=O)Nc1c([O-])cccc1F ZINC000605439244 1039681543 /nfs/dbraw/zinc/68/15/43/1039681543.db2.gz GMAMXGSTIOZNBX-UHFFFAOYSA-N -1 1 318.329 3.809 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1csc(-c2cccs2)n1 ZINC000605434607 1039682478 /nfs/dbraw/zinc/68/24/78/1039682478.db2.gz AJEFDEWYYSTJOG-UHFFFAOYSA-N -1 1 320.370 3.969 20 0 DHADMM C[C@H](CNC(=O)c1ccc(Br)c([O-])c1)C(C)(C)C ZINC000231346974 1040193556 /nfs/dbraw/zinc/19/35/56/1040193556.db2.gz OVVMOAOQAJCBAN-SECBINFHSA-N -1 1 314.223 3.567 20 0 DHADMM [O-]c1cc(CN2CCc3ncc(Cl)cc3C2)ccc1Cl ZINC001231736040 1040574914 /nfs/dbraw/zinc/57/49/14/1040574914.db2.gz YNETYVUEMNCHAQ-UHFFFAOYSA-N -1 1 309.196 3.652 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCSC[C@H]1C1CC1 ZINC000456177980 1040737179 /nfs/dbraw/zinc/73/71/79/1040737179.db2.gz KJKYOBCMTIKEMM-INIZCTEOSA-N -1 1 313.422 3.513 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000456268713 1040757857 /nfs/dbraw/zinc/75/78/57/1040757857.db2.gz DZKYUKGPPISINN-MJGOQNOKSA-N -1 1 307.393 3.806 20 0 DHADMM CC(C)(C)c1ncsc1C(=O)Nc1ccc([O-])c(F)c1F ZINC000456787570 1040920028 /nfs/dbraw/zinc/92/00/28/1040920028.db2.gz QACYXABQIWRRBU-UHFFFAOYSA-N -1 1 312.341 3.677 20 0 DHADMM CC(C)(C)C1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000457340090 1041081083 /nfs/dbraw/zinc/08/10/83/1041081083.db2.gz IORUBVYRXGAQSN-UHFFFAOYSA-N -1 1 301.308 3.529 20 0 DHADMM CCCC(=CC(=O)NCc1n[n-]c(=S)n1C(C)C)CCC ZINC000092441769 185318509 /nfs/dbraw/zinc/31/85/09/185318509.db2.gz LTESEXPLPGZNAG-UHFFFAOYSA-N -1 1 310.467 3.664 20 0 DHADMM CCOc1cc(C(=O)N[C@@H]2CCCC2(C)C)cc(Cl)c1[O-] ZINC000186852947 200022185 /nfs/dbraw/zinc/02/21/85/200022185.db2.gz SUIRROQLKYELRJ-CYBMUJFWSA-N -1 1 311.809 3.753 20 0 DHADMM O=S(=O)([N-]c1ccc2ncccc2c1)c1ccc(Cl)cc1 ZINC000006214051 181319733 /nfs/dbraw/zinc/31/97/33/181319733.db2.gz SEAUIBMRVXKPBQ-UHFFFAOYSA-N -1 1 318.785 3.689 20 0 DHADMM CCCc1csc(CN[C@@H](CCC(=O)[O-])c2ccccc2)n1 ZINC000417601415 335003051 /nfs/dbraw/zinc/00/30/51/335003051.db2.gz LPQUXDOBBQFSBI-HNNXBMFYSA-N -1 1 318.442 3.791 20 0 DHADMM O=C([O-])[C@H]1C[C@@H](NCc2ccsc2Cl)c2ccccc21 ZINC000417637926 335022184 /nfs/dbraw/zinc/02/21/84/335022184.db2.gz ZPSADJXSBXCAAZ-QWHCGFSZSA-N -1 1 307.802 3.804 20 0 DHADMM C[C@@H](CCc1ccco1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000320444544 335020780 /nfs/dbraw/zinc/02/07/80/335020780.db2.gz WVHDVAMPVYPSFB-ZDUSSCGKSA-N -1 1 309.365 3.890 20 0 DHADMM COCC[C@H](C)Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000274343120 130226985 /nfs/dbraw/zinc/22/69/85/130226985.db2.gz PJIRHYSLOWMEGN-NSHDSACASA-N -1 1 304.415 3.675 20 0 DHADMM CCC(CC)c1nnc([N-]C(=O)c2csc(Cl)n2)s1 ZINC000274550774 130244333 /nfs/dbraw/zinc/24/43/33/130244333.db2.gz XQPGKIPQBPTARS-UHFFFAOYSA-N -1 1 316.839 3.804 20 0 DHADMM O=C(c1ncccc1[O-])N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000275137223 130293254 /nfs/dbraw/zinc/29/32/54/130293254.db2.gz PXXAGTGIMFGSCW-GVDBMIGSSA-N -1 1 322.408 3.586 20 0 DHADMM CC(C)Cc1nnc([N-]C(=O)c2ccoc2C(F)(F)F)s1 ZINC000289368029 131380002 /nfs/dbraw/zinc/38/00/02/131380002.db2.gz AMOANRBLDSXMLE-UHFFFAOYSA-N -1 1 319.308 3.601 20 0 DHADMM CC1(C)CN(C(=O)c2ccc([O-])cc2F)CC[C@H]1C(F)(F)F ZINC000190722358 335065754 /nfs/dbraw/zinc/06/57/54/335065754.db2.gz XTCVAKVSWDSKPR-GFCCVEGCSA-N -1 1 319.298 3.582 20 0 DHADMM Cc1cc(C)cc(CS(=O)(=O)[N-]c2ncc(Cl)cc2C)c1 ZINC000461206874 332882063 /nfs/dbraw/zinc/88/20/63/332882063.db2.gz HMWVPATUZBPYIX-UHFFFAOYSA-N -1 1 324.833 3.602 20 0 DHADMM [O-]c1ccc(-c2noc(-c3coc(-c4ccccc4)n3)n2)cc1F ZINC000445478257 331458534 /nfs/dbraw/zinc/45/85/34/331458534.db2.gz CATKVVXNYGRSMD-UHFFFAOYSA-N -1 1 323.283 3.903 20 0 DHADMM COc1ccc(-c2nc(-c3cc4ccccc4o3)no2)c([O-])c1 ZINC000109037628 331504685 /nfs/dbraw/zinc/50/46/85/331504685.db2.gz LKCHTRDDIRIDBK-UHFFFAOYSA-N -1 1 308.293 3.864 20 0 DHADMM O=C(Nc1ccc(Oc2ccccc2)cc1)c1cncc([O-])c1 ZINC000082335606 331691502 /nfs/dbraw/zinc/69/15/02/331691502.db2.gz KOYIWSJUMLPTQG-UHFFFAOYSA-N -1 1 306.321 3.832 20 0 DHADMM O=C([O-])[C@@H](NCc1ccc(Cl)c(F)c1)c1ccccc1F ZINC000426767145 331777594 /nfs/dbraw/zinc/77/75/94/331777594.db2.gz KQQAFYPHUNPCND-AWEZNQCLSA-N -1 1 311.715 3.534 20 0 DHADMM O=C([O-])[C@H](NCc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000087761538 331791739 /nfs/dbraw/zinc/79/17/39/331791739.db2.gz ZAXQXDWYMRPREL-CQSZACIVSA-N -1 1 310.180 3.909 20 0 DHADMM CCC[C@@H](NCc1ccc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000559157200 331983667 /nfs/dbraw/zinc/98/36/67/331983667.db2.gz HTQGJNSZDNNLLG-CQSZACIVSA-N -1 1 307.777 3.943 20 0 DHADMM CN(C(=O)c1ccc(Br)c([O-])c1)C1CCCCC1 ZINC000132818611 332133739 /nfs/dbraw/zinc/13/37/39/332133739.db2.gz XFVZPEKXDAMLEJ-UHFFFAOYSA-N -1 1 312.207 3.559 20 0 DHADMM CCCc1cccc(CN[C@@H](CC(=O)[O-])c2ccc(C)o2)c1 ZINC000426777561 332135752 /nfs/dbraw/zinc/13/57/52/332135752.db2.gz OMQSTMFGLVLBEO-INIZCTEOSA-N -1 1 301.386 3.846 20 0 DHADMM C[C@H](CC(=O)c1ccco1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000092600903 332136016 /nfs/dbraw/zinc/13/60/16/332136016.db2.gz AIIVIZYDWKLJGA-GFCCVEGCSA-N -1 1 323.348 3.530 20 0 DHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2ccc(Cl)cc2C)o1 ZINC000426785993 332153379 /nfs/dbraw/zinc/15/33/79/332153379.db2.gz RWKJYMDOQTWNOH-AWEZNQCLSA-N -1 1 307.777 3.855 20 0 DHADMM O=C([O-])[C@H](NCc1ccc(Cl)cc1F)c1cccc(F)c1 ZINC000426804937 332155419 /nfs/dbraw/zinc/15/54/19/332155419.db2.gz XJTPAUZMJBVNDY-CQSZACIVSA-N -1 1 311.715 3.534 20 0 DHADMM O=C([O-])[C@H](NCc1ccc(F)c(Cl)c1)c1ccccc1F ZINC000426807490 332155755 /nfs/dbraw/zinc/15/57/55/332155755.db2.gz NSZBBMNFHHAZFS-CQSZACIVSA-N -1 1 311.715 3.534 20 0 DHADMM CC(C)(C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1CCCC1 ZINC000536510200 332254018 /nfs/dbraw/zinc/25/40/18/332254018.db2.gz WJWGOZPHSCLBSU-UHFFFAOYSA-N -1 1 313.401 3.937 20 0 DHADMM C[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C[C@H]1C(=O)[O-] ZINC000577750373 332306801 /nfs/dbraw/zinc/30/68/01/332306801.db2.gz ASOIZPYRZNYDFT-GXSJLCMTSA-N -1 1 302.201 3.536 20 0 DHADMM Cc1cccc([C@@H]2CCCCCN2C(=O)c2ncccc2[O-])c1 ZINC000427453250 332429189 /nfs/dbraw/zinc/42/91/89/332429189.db2.gz OLTGAZPEQMGVKP-INIZCTEOSA-N -1 1 310.397 3.853 20 0 DHADMM [O-]c1cccnc1CNC1(c2c(Cl)cccc2Cl)CC1 ZINC000561955334 332522089 /nfs/dbraw/zinc/52/20/89/332522089.db2.gz SULQLJRYCIVQON-UHFFFAOYSA-N -1 1 309.196 3.873 20 0 DHADMM CC[C@@]1(C)CCCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000443323363 332590375 /nfs/dbraw/zinc/59/03/75/332590375.db2.gz REOHIFKICPPBGL-INIZCTEOSA-N -1 1 311.809 3.707 20 0 DHADMM O=S(=O)([N-]c1cc(Cl)ccc1OC1CCCC1)C1CC1 ZINC000187896355 332995583 /nfs/dbraw/zinc/99/55/83/332995583.db2.gz RFYTVRFYXQPIFQ-UHFFFAOYSA-N -1 1 315.822 3.566 20 0 DHADMM Cc1cccc(N(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC000182029551 333036385 /nfs/dbraw/zinc/03/63/85/333036385.db2.gz OLMJFOSSIRNJTO-UHFFFAOYSA-N -1 1 309.287 3.996 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCCc2cccc(O)c21 ZINC000182932128 333050247 /nfs/dbraw/zinc/05/02/47/333050247.db2.gz IPXSTJHQZUIBOS-UHFFFAOYSA-N -1 1 319.360 3.844 20 0 DHADMM COc1cccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC000460414728 333081716 /nfs/dbraw/zinc/08/17/16/333081716.db2.gz YDSMBJOIWQWKCF-UHFFFAOYSA-N -1 1 305.399 3.619 20 0 DHADMM Cc1nc(C)c(S(=O)(=O)[N-]c2cccc(C)c2Cl)s1 ZINC000176504398 333114044 /nfs/dbraw/zinc/11/40/44/333114044.db2.gz MOMKJLWIJKFSJQ-UHFFFAOYSA-N -1 1 316.835 3.523 20 0 DHADMM O=C([O-])c1ccc2c(c1)n[nH]c2-c1nc2cc(F)ccc2s1 ZINC000497839171 333299723 /nfs/dbraw/zinc/29/97/23/333299723.db2.gz HHPQYUARGBDAES-UHFFFAOYSA-N -1 1 313.313 3.677 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CCCc2ccccc2C1 ZINC000062946113 333349736 /nfs/dbraw/zinc/34/97/36/333349736.db2.gz ZYWVVOFFTLIGSL-UHFFFAOYSA-N -1 1 301.773 3.634 20 0 DHADMM CC(C)(C)c1cccc(NC(=O)c2ccc([O-])cc2F)c1O ZINC000185850702 333371019 /nfs/dbraw/zinc/37/10/19/333371019.db2.gz IZSIMJMGDNUTEV-UHFFFAOYSA-N -1 1 303.333 3.787 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCOc2ccccc21 ZINC000123573558 333387491 /nfs/dbraw/zinc/38/74/91/333387491.db2.gz FDDRIPGSEAMALG-UHFFFAOYSA-N -1 1 305.333 3.585 20 0 DHADMM Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000531756302 333551565 /nfs/dbraw/zinc/55/15/65/333551565.db2.gz JQDAOFGVHCQOLL-NSHDSACASA-N -1 1 305.374 3.959 20 0 DHADMM Cc1cc(C)c([N-]S(=O)(=O)c2cccc(Cl)c2C)c(C)n1 ZINC000414458708 333986473 /nfs/dbraw/zinc/98/64/73/333986473.db2.gz NNHRQOSJVSVBCE-UHFFFAOYSA-N -1 1 324.833 3.769 20 0 DHADMM CC(=O)c1ccc(NC(=O)c2cc(C)ccc2[O-])cc1Cl ZINC000436794078 333999884 /nfs/dbraw/zinc/99/98/84/333999884.db2.gz NFGAXTBDWLRTCB-UHFFFAOYSA-N -1 1 303.745 3.809 20 0 DHADMM Cc1ccc2c(c1)CCN(C(=O)c1ccc(Cl)cc1[O-])C2 ZINC000436993660 334024374 /nfs/dbraw/zinc/02/43/74/334024374.db2.gz FPFFRAHJTAAZBI-UHFFFAOYSA-N -1 1 301.773 3.553 20 0 DHADMM CC[C@@H](C)N(CC(=O)[O-])Cc1ccc(-c2c(F)cccc2F)o1 ZINC000414683007 334068150 /nfs/dbraw/zinc/06/81/50/334068150.db2.gz OPLVGWTUAQGBCT-LLVKDONJSA-N -1 1 323.339 3.910 20 0 DHADMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000340089591 334125535 /nfs/dbraw/zinc/12/55/35/334125535.db2.gz GAPIMAPZYLREES-CYBMUJFWSA-N -1 1 305.399 3.503 20 0 DHADMM CC(C)n1cc([C@H](C)NC(=O)c2cc3ccccc3cc2[O-])cn1 ZINC000535006039 334354905 /nfs/dbraw/zinc/35/49/05/334354905.db2.gz KHYJAOYALFNAKL-ZDUSSCGKSA-N -1 1 323.396 3.814 20 0 DHADMM Cc1ccc(C(=O)Nc2ccc(F)cc2[O-])c(Br)c1 ZINC000535122119 334370903 /nfs/dbraw/zinc/37/09/03/334370903.db2.gz XUXJXWXQXCGDEX-UHFFFAOYSA-N -1 1 324.149 3.855 20 0 DHADMM C[C@@H](CC(=O)Nc1ccc(F)cc1[O-])Cc1cccc(F)c1 ZINC000532012763 334373866 /nfs/dbraw/zinc/37/38/66/334373866.db2.gz CZECKNXPGMYESG-LLVKDONJSA-N -1 1 305.324 3.878 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@H](c2ccccc2)C1 ZINC000050273052 334378364 /nfs/dbraw/zinc/37/83/64/334378364.db2.gz XXPBRIKXWSJOOA-ZDUSSCGKSA-N -1 1 301.773 3.675 20 0 DHADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(Cl)c1N(C)C ZINC000112334774 334383021 /nfs/dbraw/zinc/38/30/21/334383021.db2.gz RPYYQUKASGTLKO-UHFFFAOYSA-N -1 1 324.833 3.515 20 0 DHADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000443408599 338450957 /nfs/dbraw/zinc/45/09/57/338450957.db2.gz UHMADUCAXJMEHY-UHFFFAOYSA-N -1 1 311.790 3.540 20 0 DHADMM CC[C@H](C)CN(CC)C(=O)c1ccc(Br)cc1[O-] ZINC000093263908 334679619 /nfs/dbraw/zinc/67/96/19/334679619.db2.gz SLWIDKMJNAJBAQ-JTQLQIEISA-N -1 1 314.223 3.663 20 0 DHADMM O=C([O-])[C@@H](NCc1cccc(Cl)c1Cl)c1ccccc1 ZINC000050507732 334719072 /nfs/dbraw/zinc/71/90/72/334719072.db2.gz XFCAFXGAALARTI-AWEZNQCLSA-N -1 1 310.180 3.909 20 0 DHADMM COc1cc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)cc(Cl)c1[O-] ZINC000344891059 335283266 /nfs/dbraw/zinc/28/32/66/335283266.db2.gz UKAQUTDRUBZAFZ-RISCZKNCSA-N -1 1 323.820 3.849 20 0 DHADMM CCOc1cc(C(=O)N[C@H](C)CCC2CC2)cc(Cl)c1[O-] ZINC000347854194 335529297 /nfs/dbraw/zinc/52/92/97/335529297.db2.gz YFNTUIFOJHDOHV-SNVBAGLBSA-N -1 1 311.809 3.753 20 0 DHADMM O=C(Nc1ccc2scnc2c1)c1c(F)ccc([O-])c1F ZINC000348262274 335568920 /nfs/dbraw/zinc/56/89/20/335568920.db2.gz QXPWOKMBQHMTJC-UHFFFAOYSA-N -1 1 306.293 3.532 20 0 DHADMM CSc1cc(C)ccc1CNC(=O)c1c(F)ccc([O-])c1F ZINC000348853195 335613756 /nfs/dbraw/zinc/61/37/56/335613756.db2.gz PEUMXPGKAIEDDS-UHFFFAOYSA-N -1 1 323.364 3.631 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3cc(F)c(F)cc3F)n2)cc1F ZINC000445481426 338496509 /nfs/dbraw/zinc/49/65/09/338496509.db2.gz OYCBCDVSBRDMQK-UHFFFAOYSA-N -1 1 324.233 3.589 20 0 DHADMM C[C@@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])CCS1 ZINC000191933842 336005307 /nfs/dbraw/zinc/00/53/07/336005307.db2.gz KODMAEWFSCLTLH-GFCCVEGCSA-N -1 1 301.411 3.513 20 0 DHADMM Cc1ccc(C)c([C@@H]2CCCN2C(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000331901027 336152233 /nfs/dbraw/zinc/15/22/33/336152233.db2.gz NLJGFLFBBKGCDN-SFHVURJKSA-N -1 1 323.392 3.555 20 0 DHADMM Cc1cnc(C(=O)N2CC[C@H](c3ccccc3)C[C@@H]2C)c([O-])c1 ZINC000332382679 336170657 /nfs/dbraw/zinc/17/06/57/336170657.db2.gz HOJZJHZCVGOFOT-HOCLYGCPSA-N -1 1 310.397 3.504 20 0 DHADMM CC(C)COc1cccc(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000532620917 336257074 /nfs/dbraw/zinc/25/70/74/336257074.db2.gz GEHOYVHBNXTYDA-UHFFFAOYSA-N -1 1 303.333 3.818 20 0 DHADMM CCCN(C)c1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000532620990 336257104 /nfs/dbraw/zinc/25/71/04/336257104.db2.gz XNPZKMGIUYEPHC-UHFFFAOYSA-N -1 1 302.349 3.630 20 0 DHADMM Cc1nc(-c2ccc(NCc3ccc(F)cc3)nc2)[n-]c(=O)c1C ZINC000301174150 336293321 /nfs/dbraw/zinc/29/33/21/336293321.db2.gz LIONLZABFKUGOB-UHFFFAOYSA-N -1 1 324.359 3.612 20 0 DHADMM Cc1nc(-c2ccc(NCc3ccsc3)nc2)[n-]c(=O)c1C ZINC000301335145 336301149 /nfs/dbraw/zinc/30/11/49/336301149.db2.gz CPPALYJNJYAUFU-UHFFFAOYSA-N -1 1 312.398 3.535 20 0 DHADMM CC(C)(C)c1nsc([N-]c2cnn(Cc3ccccc3)c2)n1 ZINC000302534632 336361072 /nfs/dbraw/zinc/36/10/72/336361072.db2.gz RBRAEVUAGAFZPB-UHFFFAOYSA-N -1 1 313.430 3.824 20 0 DHADMM CCOc1cc(C(=O)NC23CCC(CC2)C3)cc(Cl)c1[O-] ZINC000373412052 336959400 /nfs/dbraw/zinc/95/94/00/336959400.db2.gz JAMUITOUAWNZQZ-UHFFFAOYSA-N -1 1 309.793 3.507 20 0 DHADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000121920309 336986624 /nfs/dbraw/zinc/98/66/24/336986624.db2.gz UXAXWWYQHUWSQY-UHFFFAOYSA-N -1 1 312.369 3.528 20 0 DHADMM C[C@H]1C[C@H](c2ccsc2)CN1C(=O)c1c(F)ccc([O-])c1F ZINC000377670377 337058085 /nfs/dbraw/zinc/05/80/85/337058085.db2.gz JBZSOKHGMHCZOE-ONGXEEELSA-N -1 1 323.364 3.750 20 0 DHADMM COC(=O)c1c[n-]c(S[C@@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000193547255 337077924 /nfs/dbraw/zinc/07/79/24/337077924.db2.gz WYJCNOWTXMTDHE-ZETCQYMHSA-N -1 1 314.769 3.842 20 0 DHADMM O=C(NCc1ccc(F)cc1F)c1cc2ccccc2cc1[O-] ZINC000320976735 337085786 /nfs/dbraw/zinc/08/57/86/337085786.db2.gz HFOURHVKGDINOY-UHFFFAOYSA-N -1 1 313.303 3.754 20 0 DHADMM CCOc1ccccc1CN(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000194263496 337089924 /nfs/dbraw/zinc/08/99/24/337089924.db2.gz IZUHOCJGGDQEHK-UHFFFAOYSA-N -1 1 319.788 3.717 20 0 DHADMM COc1csc(C(=O)[N-]c2nc(-c3cccs3)ns2)c1 ZINC000182145990 337186835 /nfs/dbraw/zinc/18/68/35/337186835.db2.gz VVNBTOVTMDNORN-UHFFFAOYSA-N -1 1 323.424 3.589 20 0 DHADMM C[C@H]1C[C@H](c2cccnc2)N(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000182809437 337188242 /nfs/dbraw/zinc/18/82/42/337188242.db2.gz CZXLXOLOTMXDHN-XHDPSFHLSA-N -1 1 316.788 3.664 20 0 DHADMM C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000182809457 337188306 /nfs/dbraw/zinc/18/83/06/337188306.db2.gz CZXLXOLOTMXDHN-ABAIWWIYSA-N -1 1 316.788 3.664 20 0 DHADMM Cc1c(C(=O)Nc2ccc([O-])c(Cl)c2)cnn1C(C)(C)C ZINC000182874576 337190475 /nfs/dbraw/zinc/19/04/75/337190475.db2.gz RJYNXRAFLJIPCY-UHFFFAOYSA-N -1 1 307.781 3.558 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)CCc2ccoc2)c1 ZINC000182907772 337190738 /nfs/dbraw/zinc/19/07/38/337190738.db2.gz KOMHSRKCNYJEND-UHFFFAOYSA-N -1 1 324.174 3.627 20 0 DHADMM CCN(Cc1ccncc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000321076913 337194478 /nfs/dbraw/zinc/19/44/78/337194478.db2.gz CZBJXBNVSFYVHY-UHFFFAOYSA-N -1 1 306.365 3.603 20 0 DHADMM CCOc1cc(C(=O)N2C[C@@H](C)CC[C@@H]2C)cc(Cl)c1[O-] ZINC000186843029 337260625 /nfs/dbraw/zinc/26/06/25/337260625.db2.gz GNXBJGFBJSHOEQ-QWRGUYRKSA-N -1 1 311.809 3.705 20 0 DHADMM CCOc1cc(-c2nc([C@H]3CC[C@@H](C)O3)no2)cc(Cl)c1[O-] ZINC000528234374 337797358 /nfs/dbraw/zinc/79/73/58/337797358.db2.gz KEVAQXCBVZRHRK-LDYMZIIASA-N -1 1 324.764 3.734 20 0 DHADMM CC(C)n1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)n1 ZINC000445448818 337856008 /nfs/dbraw/zinc/85/60/08/337856008.db2.gz MPKWKYAOSVEMFI-UHFFFAOYSA-N -1 1 304.737 3.540 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cccc4nccnc43)n2)c(Cl)c1 ZINC000445450504 338005931 /nfs/dbraw/zinc/00/59/31/338005931.db2.gz UFPLSEUKODWYGX-UHFFFAOYSA-N -1 1 324.727 3.706 20 0 DHADMM Cc1cnc(C(=O)N(C)C2CCC(C(C)(C)C)CC2)c([O-])c1 ZINC000426439869 338032225 /nfs/dbraw/zinc/03/22/25/338032225.db2.gz KQJPQHJDIMAVSX-UHFFFAOYSA-N -1 1 304.434 3.773 20 0 DHADMM CCc1nc(CNCc2ccc(Cl)c(C)c2)ccc1C(=O)[O-] ZINC000426665238 338037487 /nfs/dbraw/zinc/03/74/87/338037487.db2.gz JQDLERMLMOFOGI-UHFFFAOYSA-N -1 1 318.804 3.594 20 0 DHADMM O=C([O-])C[C@H](NCc1ccc(F)cc1Cl)c1ccsc1 ZINC000426691928 338038266 /nfs/dbraw/zinc/03/82/66/338038266.db2.gz MVDKEPYMWWOVSO-ZDUSSCGKSA-N -1 1 313.781 3.846 20 0 DHADMM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(C)cc2)c(Cl)c1 ZINC000426710743 338038885 /nfs/dbraw/zinc/03/88/85/338038885.db2.gz KWVVVZPFDCRJCH-INIZCTEOSA-N -1 1 319.788 3.573 20 0 DHADMM CC(C)Oc1ccc2ccccc2c1C[N@@H+](C)CCC(=O)[O-] ZINC000430668880 338110919 /nfs/dbraw/zinc/11/09/19/338110919.db2.gz YLVLQSMVKRIHIL-UHFFFAOYSA-N -1 1 301.386 3.534 20 0 DHADMM Cc1cc(-c2nc3ccc(-c4ccccc4)cc3c(=O)[n-]2)ccn1 ZINC000432512756 338158038 /nfs/dbraw/zinc/15/80/38/338158038.db2.gz IJHLOHVBBGOBMV-UHFFFAOYSA-N -1 1 313.360 3.961 20 0 DHADMM CCc1cccc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)c1 ZINC000433523356 338196270 /nfs/dbraw/zinc/19/62/70/338196270.db2.gz BLMSFULRFQUGIF-UHFFFAOYSA-N -1 1 314.410 3.542 20 0 DHADMM O=S(=O)([N-][C@@H]1C=CCCC1)c1c(Cl)cc(F)cc1Cl ZINC000435437268 338240038 /nfs/dbraw/zinc/24/00/38/338240038.db2.gz JXAZBVLHDGDLMK-SECBINFHSA-N -1 1 324.204 3.520 20 0 DHADMM O=C(CO[C@H]1CCCc2ccccc21)Nc1ccc(F)cc1[O-] ZINC000435796291 338249648 /nfs/dbraw/zinc/24/96/48/338249648.db2.gz HZXINWHSJHGGEW-KRWDZBQOSA-N -1 1 315.344 3.564 20 0 DHADMM O=C(CO[C@@H]1CCCc2ccccc21)Nc1ccc(F)cc1[O-] ZINC000435796292 338249671 /nfs/dbraw/zinc/24/96/71/338249671.db2.gz HZXINWHSJHGGEW-QGZVFWFLSA-N -1 1 315.344 3.564 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)cc1C ZINC000436152741 338259691 /nfs/dbraw/zinc/25/96/91/338259691.db2.gz KFEMKDNCDANSHC-UHFFFAOYSA-N -1 1 314.410 3.894 20 0 DHADMM CCc1cc(=O)[n-]c(SCC[C@@H](C)OCc2ccccc2)n1 ZINC000436238249 338262892 /nfs/dbraw/zinc/26/28/92/338262892.db2.gz FSNIYCLKILOMNZ-CYBMUJFWSA-N -1 1 318.442 3.832 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@H](c2ccccc2F)C1 ZINC000436488770 338273971 /nfs/dbraw/zinc/27/39/71/338273971.db2.gz MWJDEEAATWIWMT-LLVKDONJSA-N -1 1 319.763 3.814 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCCC[C@H]1C(F)F ZINC000436496516 338274267 /nfs/dbraw/zinc/27/42/67/338274267.db2.gz QHZUPVYFFHIRDL-JTQLQIEISA-N -1 1 323.261 3.671 20 0 DHADMM C[C@@H]1C[C@@]1(NC(=O)c1ccc([O-])cc1F)c1ccc(Cl)cc1 ZINC000436516885 338274884 /nfs/dbraw/zinc/27/48/84/338274884.db2.gz XNOSYOACIHSXDG-QGHHPUGFSA-N -1 1 319.763 3.850 20 0 DHADMM COc1ccc(-c2nc(-c3cccc4ncccc43)no2)c([O-])c1 ZINC000436522877 338274945 /nfs/dbraw/zinc/27/49/45/338274945.db2.gz XXVNIUSJSWUZND-UHFFFAOYSA-N -1 1 319.320 3.666 20 0 DHADMM C[C@@H](C1CC1)n1nccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436523943 338275228 /nfs/dbraw/zinc/27/52/28/338275228.db2.gz WZSFKRVCEQEENT-LBPRGKRZSA-N -1 1 321.380 3.965 20 0 DHADMM C[C@@H]1c2ccccc2CCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000436558347 338277019 /nfs/dbraw/zinc/27/70/19/338277019.db2.gz UUXCIFJAFONYBW-LLVKDONJSA-N -1 1 301.773 3.805 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@H](c2cccc(F)c2)C1 ZINC000436563355 338277226 /nfs/dbraw/zinc/27/72/26/338277226.db2.gz CVESTDWTKSLHHM-LBPRGKRZSA-N -1 1 319.763 3.814 20 0 DHADMM O=C(Nc1cc(F)ccc1OCC1CC1)c1cc(F)ccc1[O-] ZINC000436568976 338277373 /nfs/dbraw/zinc/27/73/73/338277373.db2.gz YHKLVDIPRABLFD-UHFFFAOYSA-N -1 1 319.307 3.712 20 0 DHADMM COc1ccc(C)nc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436576144 338277920 /nfs/dbraw/zinc/27/79/20/338277920.db2.gz KRZNQELMITUSAS-UHFFFAOYSA-N -1 1 308.337 3.510 20 0 DHADMM CCc1noc(CC)c1CNC(=O)c1cc2ccccc2cc1[O-] ZINC000436575855 338277996 /nfs/dbraw/zinc/27/79/96/338277996.db2.gz NVLMXWABILGFCH-UHFFFAOYSA-N -1 1 324.380 3.588 20 0 DHADMM O=C(N[C@H]1CCCC(F)(F)C1)c1cc2ccccc2cc1[O-] ZINC000436604290 338279417 /nfs/dbraw/zinc/27/94/17/338279417.db2.gz NYEBRSLTUYEECT-ZDUSSCGKSA-N -1 1 305.324 3.853 20 0 DHADMM O=C(NCc1ccc2c(c1)COC2)c1ccc2ccccc2c1[O-] ZINC000436604048 338279448 /nfs/dbraw/zinc/27/94/48/338279448.db2.gz NSDBYIZKSYAAEH-UHFFFAOYSA-N -1 1 319.360 3.506 20 0 DHADMM Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)nn1[C@H](C)C1CC1 ZINC000436622580 338280227 /nfs/dbraw/zinc/28/02/27/338280227.db2.gz DHVGGKZKSHGIMB-SNVBAGLBSA-N -1 1 319.792 3.774 20 0 DHADMM O=C(N[C@@H]1CCc2cc(F)ccc21)c1cc(Cl)ccc1[O-] ZINC000436676607 338282488 /nfs/dbraw/zinc/28/24/88/338282488.db2.gz RCUDXWKWVAJUAV-CQSZACIVSA-N -1 1 305.736 3.602 20 0 DHADMM [O-]c1ccc(-c2noc([C@@H]3C[C@H]3c3ccc(F)cc3)n2)c(F)c1 ZINC000436683394 338282618 /nfs/dbraw/zinc/28/26/18/338282618.db2.gz UDJGOTBXJWNXPN-UONOGXRCSA-N -1 1 314.291 3.992 20 0 DHADMM [O-]c1ccc(-c2noc([C@@H]3C[C@@H]3c3ccc(F)cc3)n2)c(F)c1 ZINC000436683398 338282713 /nfs/dbraw/zinc/28/27/13/338282713.db2.gz UDJGOTBXJWNXPN-ZIAGYGMSSA-N -1 1 314.291 3.992 20 0 DHADMM O=C(N[C@@H]1CCSc2c(F)cccc21)c1c([O-])cccc1F ZINC000436706116 338283455 /nfs/dbraw/zinc/28/34/55/338283455.db2.gz UCZFSPFCLMTRPF-GFCCVEGCSA-N -1 1 321.348 3.637 20 0 DHADMM C[C@H](CN(C)C(=O)c1ccc(Cl)cc1[O-])c1ccccc1 ZINC000436736916 338284898 /nfs/dbraw/zinc/28/48/98/338284898.db2.gz HWEHSZIVLABYPD-GFCCVEGCSA-N -1 1 303.789 3.921 20 0 DHADMM CC1(C)CN(C(=O)c2ccc([O-])cc2F)[C@H]1c1cccs1 ZINC000436740220 338285027 /nfs/dbraw/zinc/28/50/27/338285027.db2.gz PYXFQNKIGJJPIM-AWEZNQCLSA-N -1 1 305.374 3.816 20 0 DHADMM CC(C)[C@@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436751112 338285359 /nfs/dbraw/zinc/28/53/59/338285359.db2.gz IWFCPSRDCIMFRD-LBPRGKRZSA-N -1 1 301.308 3.672 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC(C(F)F)CC1 ZINC000436751963 338285464 /nfs/dbraw/zinc/28/54/64/338285464.db2.gz PEFYGQRVCINFDT-UHFFFAOYSA-N -1 1 323.261 3.528 20 0 DHADMM CCN(C(=O)c1ccccc1[O-])c1cccc(Br)c1 ZINC000436755376 338285852 /nfs/dbraw/zinc/28/58/52/338285852.db2.gz LRIKWCCOMRPHGU-UHFFFAOYSA-N -1 1 320.186 3.821 20 0 DHADMM C[C@@H]1C[C@H](C)CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000436765119 338286475 /nfs/dbraw/zinc/28/64/75/338286475.db2.gz VSEYEZTWPIHGBS-GHMZBOCLSA-N -1 1 315.335 3.919 20 0 DHADMM [O-]c1ccc(-c2noc(-c3ncccc3Cl)n2)c(Cl)c1 ZINC000436783013 338287068 /nfs/dbraw/zinc/28/70/68/338287068.db2.gz KIXGFTPEXJBIKP-UHFFFAOYSA-N -1 1 308.124 3.811 20 0 DHADMM C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)c1ccc([O-])cc1F ZINC000436786320 338287260 /nfs/dbraw/zinc/28/72/60/338287260.db2.gz XILWJNCFWWOJDD-UKRRQHHQSA-N -1 1 313.372 3.940 20 0 DHADMM O=C(N[C@H]1C[C@H](c2ccccc2Cl)C1)c1c([O-])cccc1F ZINC000436787879 338287472 /nfs/dbraw/zinc/28/74/72/338287472.db2.gz ZNXPYXMPAZMFRQ-XYPYZODXSA-N -1 1 319.763 3.861 20 0 DHADMM O=C(N[C@H]1CCCc2occc21)c1ccc2ccccc2c1[O-] ZINC000436828628 338288921 /nfs/dbraw/zinc/28/89/21/338288921.db2.gz IXUYLVVUEJLCPY-INIZCTEOSA-N -1 1 307.349 3.946 20 0 DHADMM O=C(N[C@@H]1CCCc2occc21)c1ccc2ccccc2c1[O-] ZINC000436828631 338288966 /nfs/dbraw/zinc/28/89/66/338288966.db2.gz IXUYLVVUEJLCPY-MRXNPFEDSA-N -1 1 307.349 3.946 20 0 DHADMM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1ccc([O-])cc1F ZINC000436881981 338291553 /nfs/dbraw/zinc/29/15/53/338291553.db2.gz WIPRLHLWIOWUBI-DYZYQPBXSA-N -1 1 317.335 3.724 20 0 DHADMM O=C(C(=O)N1CCCC2(C1)CCCCCC2)c1ccc([O-])cc1 ZINC000436918801 338293442 /nfs/dbraw/zinc/29/34/42/338293442.db2.gz KHRKTVUEOJVVCU-UHFFFAOYSA-N -1 1 315.413 3.538 20 0 DHADMM O=C(Nc1ccc(Oc2cccnc2)cc1)c1ccc([O-])cc1F ZINC000436931477 338294194 /nfs/dbraw/zinc/29/41/94/338294194.db2.gz JVRWPNBBAWMDMY-UHFFFAOYSA-N -1 1 324.311 3.971 20 0 DHADMM CC(C)OCCCc1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000436946990 338295267 /nfs/dbraw/zinc/29/52/67/338295267.db2.gz QFAWHDQMYHCOFK-UHFFFAOYSA-N -1 1 312.369 3.953 20 0 DHADMM [O-]c1ccc(-c2noc(-c3conc3C3CC3)n2)c(Cl)c1 ZINC000436956427 338295844 /nfs/dbraw/zinc/29/58/44/338295844.db2.gz MLZZOSXLLIMVBJ-UHFFFAOYSA-N -1 1 303.705 3.628 20 0 DHADMM Cc1ccccc1C1=CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000436966922 338296239 /nfs/dbraw/zinc/29/62/39/338296239.db2.gz XFGOBAGEKPHOSJ-UHFFFAOYSA-N -1 1 313.784 3.893 20 0 DHADMM COc1cc(NC(=O)c2ccccc2[O-])cc(OC)c1C(C)C ZINC000436979374 338296562 /nfs/dbraw/zinc/29/65/62/338296562.db2.gz KRMJNCSGJZSBKF-UHFFFAOYSA-N -1 1 315.369 3.785 20 0 DHADMM CC(C)[C@H]1N(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1(C)C ZINC000437007737 338297441 /nfs/dbraw/zinc/29/74/41/338297441.db2.gz WPJYOQPBQWJTAD-CYBMUJFWSA-N -1 1 315.335 3.918 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1Cl ZINC000438793110 338352159 /nfs/dbraw/zinc/35/21/59/338352159.db2.gz FXROPVCVMFRQBE-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000438804700 338352287 /nfs/dbraw/zinc/35/22/87/338352287.db2.gz KDAFFURBVHRSEO-UHFFFAOYSA-N -1 1 323.389 3.722 20 0 DHADMM CCCC(O)(CCC)CNC(=O)c1cc2ccccc2cc1[O-] ZINC000440209712 338384254 /nfs/dbraw/zinc/38/42/54/338384254.db2.gz CJDAZZTXGVZMSK-UHFFFAOYSA-N -1 1 315.413 3.607 20 0 DHADMM CC(C)c1ccc2nc(-c3ccc4c(c3)CCO4)[n-]c(=O)c2c1 ZINC000446999127 338543000 /nfs/dbraw/zinc/54/30/00/338543000.db2.gz GNILFIQABNNSHS-UHFFFAOYSA-N -1 1 306.365 3.648 20 0 DHADMM CC[C@]1(C(C)C)C[C@@H]1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000457285932 338958160 /nfs/dbraw/zinc/95/81/60/338958160.db2.gz OQCPFIXAVXWUIP-XJKSGUPXSA-N -1 1 311.809 3.609 20 0 DHADMM Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000479500268 339538298 /nfs/dbraw/zinc/53/82/98/339538298.db2.gz HBCRPPGUCFUIMU-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM CCc1cc(=O)[n-]c(SC[C@@H](OC)c2ccc(Cl)cc2)n1 ZINC000509074710 340260452 /nfs/dbraw/zinc/26/04/52/340260452.db2.gz NIAPMVDKAJDWQF-CYBMUJFWSA-N -1 1 324.833 3.878 20 0 DHADMM O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccccc1[O-] ZINC000301998080 340265997 /nfs/dbraw/zinc/26/59/97/340265997.db2.gz OTMNRDWYUKXQAK-UHFFFAOYSA-N -1 1 313.687 3.899 20 0 DHADMM O=C(Nc1nc(-c2ccco2)n[nH]1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000510841058 340312733 /nfs/dbraw/zinc/31/27/33/340312733.db2.gz IEGFUCQTHFRSSH-YNEHKIRRSA-N -1 1 314.389 3.610 20 0 DHADMM CCC(CC)c1cc(CNC(=O)c2cc(Cl)ccc2[O-])on1 ZINC000304033749 340358984 /nfs/dbraw/zinc/35/89/84/340358984.db2.gz NBJQBRSJLAQQOM-UHFFFAOYSA-N -1 1 322.792 3.867 20 0 DHADMM Oc1cccc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1Cl ZINC000512623428 340369474 /nfs/dbraw/zinc/36/94/74/340369474.db2.gz SIFRFHKSKCSZKC-GOSISDBHSA-N -1 1 315.800 3.677 20 0 DHADMM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000512831333 340379824 /nfs/dbraw/zinc/37/98/24/340379824.db2.gz FWGDWVWEDNUAHO-GFCCVEGCSA-N -1 1 323.389 3.804 20 0 DHADMM CO[C@@H]1Cc2ccccc2N(Cc2cccc([O-])c2Cl)C1 ZINC000513526112 340412330 /nfs/dbraw/zinc/41/23/30/340412330.db2.gz SGRHVPGWBIETPY-CQSZACIVSA-N -1 1 303.789 3.623 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CC=CCC2)c1 ZINC000182929555 340485973 /nfs/dbraw/zinc/48/59/73/340485973.db2.gz GNLWVRQJFHUXRZ-SNVBAGLBSA-N -1 1 310.191 3.758 20 0 DHADMM C[C@@H](C1CC1)n1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000192277454 340565670 /nfs/dbraw/zinc/56/56/70/340565670.db2.gz ZQXDCGPRTDFDNC-VIFPVBQESA-N -1 1 320.780 3.857 20 0 DHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000529538515 340760772 /nfs/dbraw/zinc/76/07/72/340760772.db2.gz CHFNDDQEJHHXOZ-DJSGYFEHSA-N -1 1 317.772 3.562 20 0 DHADMM COCC1(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CCC1 ZINC000529538699 340761005 /nfs/dbraw/zinc/76/10/05/340761005.db2.gz JYRXWQUMDXXIOM-UHFFFAOYSA-N -1 1 319.788 3.954 20 0 DHADMM O=C(C[C@@H]1CCCO1)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529539814 340761257 /nfs/dbraw/zinc/76/12/57/340761257.db2.gz VHLLJRUFFLGIQD-JTQLQIEISA-N -1 1 305.761 3.706 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2cc(O)ccc2C)cc1CC ZINC000530145663 340780777 /nfs/dbraw/zinc/78/07/77/340780777.db2.gz XHQKDGJOAZWIIM-UHFFFAOYSA-N -1 1 319.426 3.626 20 0 DHADMM C[C@@H](COc1ccccc1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000125212618 340803060 /nfs/dbraw/zinc/80/30/60/340803060.db2.gz PXKFBAJVDMVREI-NSHDSACASA-N -1 1 305.761 3.699 20 0 DHADMM C[C@H](C1CC1)N(C(=O)c1cc(Br)ccc1[O-])C1CC1 ZINC000127541751 340852402 /nfs/dbraw/zinc/85/24/02/340852402.db2.gz UKNVBPUUZZRKFM-SECBINFHSA-N -1 1 324.218 3.558 20 0 DHADMM CCSCc1cccc(NC(=O)c2ccc(O)cc2[O-])c1 ZINC000128778586 340912985 /nfs/dbraw/zinc/91/29/85/340912985.db2.gz MKFUJBMLWPAEEK-UHFFFAOYSA-N -1 1 303.383 3.603 20 0 DHADMM CC(C)c1nc2cc(NC(=O)c3ccc(O)cc3[O-])ccc2o1 ZINC000542820440 341022064 /nfs/dbraw/zinc/02/20/64/341022064.db2.gz YZSVHYDAFIUJKL-UHFFFAOYSA-N -1 1 312.325 3.615 20 0 DHADMM Cc1cccc(NC(=O)c2ccccc2[O-])c1Br ZINC000131634638 341104389 /nfs/dbraw/zinc/10/43/89/341104389.db2.gz MOYCHILEKNLGQD-UHFFFAOYSA-N -1 1 306.159 3.715 20 0 DHADMM Cc1cccc([N-]S(=O)(=O)c2cc(F)ccc2F)c1Cl ZINC000075082088 341163891 /nfs/dbraw/zinc/16/38/91/341163891.db2.gz TYBNFCOPDXDQJD-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM COc1cc(C(=O)Nc2cc(C)ccc2C)cc(Cl)c1[O-] ZINC000547299970 341204046 /nfs/dbraw/zinc/20/40/46/341204046.db2.gz QTLPADJGVQOPDF-UHFFFAOYSA-N -1 1 305.761 3.923 20 0 DHADMM CSCC[C@H](C)N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000134341733 341213560 /nfs/dbraw/zinc/21/35/60/341213560.db2.gz YOUWOKIDDJTQKP-LBPRGKRZSA-N -1 1 303.427 3.759 20 0 DHADMM COc1cc(C(=O)N[C@@H](C)c2ccc(C)cc2)cc(Cl)c1[O-] ZINC000135752515 341245429 /nfs/dbraw/zinc/24/54/29/341245429.db2.gz MOLUVSMTOIUFPN-NSHDSACASA-N -1 1 319.788 3.854 20 0 DHADMM O=S(=O)([N-]c1ccc2ncccc2c1)c1ccc2c(c1)CCC2 ZINC000135918893 341248241 /nfs/dbraw/zinc/24/82/41/341248241.db2.gz FNHVGPOWJYQIPS-UHFFFAOYSA-N -1 1 324.405 3.524 20 0 DHADMM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2cc(F)ccc2[O-])C1 ZINC000080029361 341268861 /nfs/dbraw/zinc/26/88/61/341268861.db2.gz AICRTSXXZIALHB-KBPBESRZSA-N -1 1 313.372 3.858 20 0 DHADMM O=C(N[C@H](c1ccc(F)cc1)C1CCC1)c1ccc([O-])cc1F ZINC000154864854 341597206 /nfs/dbraw/zinc/59/72/06/341597206.db2.gz SHBFYQAWQKSYTM-KRWDZBQOSA-N -1 1 317.335 3.942 20 0 DHADMM CC1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000568872257 341683936 /nfs/dbraw/zinc/68/39/36/341683936.db2.gz OBIYFNZCYZNGRZ-CYBMUJFWSA-N -1 1 302.201 3.851 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1C[C@H]1c1ccccc1Cl ZINC000569145157 341692175 /nfs/dbraw/zinc/69/21/75/341692175.db2.gz GQRNRQXBAATTGA-RYUDHWBXSA-N -1 1 305.736 3.927 20 0 DHADMM [O-]c1cccc(CNc2cccc(-c3nnco3)c2)c1Cl ZINC000336890182 341721548 /nfs/dbraw/zinc/72/15/48/341721548.db2.gz HBWASUVLBBNGHH-UHFFFAOYSA-N -1 1 301.733 3.708 20 0 DHADMM [O-]c1ccc(-c2noc(/C=C/C3CCOCC3)n2)c(Cl)c1 ZINC000576577721 341853211 /nfs/dbraw/zinc/85/32/11/341853211.db2.gz GJIFVELGLKGSJL-DAFODLJHSA-N -1 1 306.749 3.535 20 0 DHADMM C[S@@](=O)Cc1ccccc1NCc1cccc([O-])c1Cl ZINC000339349074 525373353 /nfs/dbraw/zinc/37/33/53/525373353.db2.gz MHRASEGRAFOFMG-HXUWFJFHSA-N -1 1 309.818 3.536 20 0 DHADMM C[C@H](C(=O)[N-]OCCC(F)(F)F)c1ccc2ccccc2c1 ZINC000162886990 526093950 /nfs/dbraw/zinc/09/39/50/526093950.db2.gz IDNRPIJEORIAQE-NSHDSACASA-N -1 1 311.303 3.944 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CCCCC[C@H]1c1ccncc1 ZINC000181882815 526703963 /nfs/dbraw/zinc/70/39/63/526703963.db2.gz QOTUJFSYUDHFPW-KRWDZBQOSA-N -1 1 314.360 3.684 20 0 DHADMM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1nc2c(s1)CCCC2 ZINC000820141909 598162533 /nfs/dbraw/zinc/16/25/33/598162533.db2.gz KNACICYKWOSTKK-LLVKDONJSA-N -1 1 316.426 3.571 20 0 DHADMM Fc1cccc(S[C@@H]2CCc3ccccc32)c1-c1nn[n-]n1 ZINC000737663691 598243369 /nfs/dbraw/zinc/24/33/69/598243369.db2.gz JSSHDMQTKJBWDJ-CYBMUJFWSA-N -1 1 312.373 3.785 20 0 DHADMM C[C@@H](CCC(C)(C)C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000735987012 599442584 /nfs/dbraw/zinc/44/25/84/599442584.db2.gz WITGBVKTPCZVDY-ZETCQYMHSA-N -1 1 314.846 3.603 20 0 DHADMM C[C@@H](CCC(C)(C)C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000735987012 599442586 /nfs/dbraw/zinc/44/25/86/599442586.db2.gz WITGBVKTPCZVDY-ZETCQYMHSA-N -1 1 314.846 3.603 20 0 DHADMM C[C@@H](CN(Cc1cc2ccccc2nc1Cl)C1CC1)C(=O)[O-] ZINC000736585109 599948687 /nfs/dbraw/zinc/94/86/87/599948687.db2.gz UAQCIROZMAHKEW-NSHDSACASA-N -1 1 318.804 3.573 20 0 DHADMM C[C@H](c1ccccc1F)N(C)Cc1ccc(F)cc1C(=O)[O-] ZINC000387939095 600085089 /nfs/dbraw/zinc/08/50/89/600085089.db2.gz DXVAFFOENCRMNG-LLVKDONJSA-N -1 1 305.324 3.856 20 0 DHADMM Cc1cc(CN2CCCCC[C@@H]2c2ccco2)oc1C(=O)[O-] ZINC000567479218 600262320 /nfs/dbraw/zinc/26/23/20/600262320.db2.gz RGTVNQHATIACHY-CQSZACIVSA-N -1 1 303.358 3.997 20 0 DHADMM CN(Cc1ccccc1F)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737492906 600397866 /nfs/dbraw/zinc/39/78/66/600397866.db2.gz XZGCOEFUEVQHFF-OAHLLOKOSA-N -1 1 307.752 3.737 20 0 DHADMM C[C@@H](C1CC1)N(C)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000827213603 600816145 /nfs/dbraw/zinc/81/61/45/600816145.db2.gz OLLXFSNMNHYHFL-NSHDSACASA-N -1 1 316.426 3.739 20 0 DHADMM CCc1ccc([C@@H]2CCCCN2Cc2ccoc2C(=O)[O-])o1 ZINC000569734189 600968900 /nfs/dbraw/zinc/96/89/00/600968900.db2.gz ZXIIGPSZEKBUNT-AWEZNQCLSA-N -1 1 303.358 3.860 20 0 DHADMM CN(Cc1ccc(Cl)cc1)[C@H](C(=O)[O-])c1ccccc1F ZINC000830825177 600982787 /nfs/dbraw/zinc/98/27/87/600982787.db2.gz FELPXDQYQMXSJH-HNNXBMFYSA-N -1 1 307.752 3.737 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN(C)[C@H](C)c1ccc(OC)cc1 ZINC000568060151 601411979 /nfs/dbraw/zinc/41/19/79/601411979.db2.gz SYWFUZZDNALTPO-GFCCVEGCSA-N -1 1 317.385 3.742 20 0 DHADMM Cc1ccc([C@H](C)N[C@H](C(=O)[O-])c2ccccc2F)cc1F ZINC000832921404 601500042 /nfs/dbraw/zinc/50/00/42/601500042.db2.gz PWYLHYFGZRQGRV-ZBEGNZNMSA-N -1 1 305.324 3.750 20 0 DHADMM Cc1ccc(CN(Cc2cc(C(=O)[O-])sc2C)C2CC2)o1 ZINC000652387716 601619672 /nfs/dbraw/zinc/61/96/72/601619672.db2.gz NIVMMOLDPAJVOI-UHFFFAOYSA-N -1 1 305.399 3.821 20 0 DHADMM C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1ccc(C(=O)[O-])s1 ZINC000581948898 601940382 /nfs/dbraw/zinc/94/03/82/601940382.db2.gz GQMVCYTYAPUPJQ-VIFPVBQESA-N -1 1 311.353 3.918 20 0 DHADMM CC(C)c1ccc(SCc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000824347835 607543457 /nfs/dbraw/zinc/54/34/57/607543457.db2.gz PCLLPJDDBIQNSO-UHFFFAOYSA-N -1 1 311.414 3.677 20 0 DHADMM CC(C)c1ccc(SCc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000824347835 607543459 /nfs/dbraw/zinc/54/34/59/607543459.db2.gz PCLLPJDDBIQNSO-UHFFFAOYSA-N -1 1 311.414 3.677 20 0 DHADMM C[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1ccccc1Cl ZINC000825501811 603529447 /nfs/dbraw/zinc/52/94/47/603529447.db2.gz FNBLGLSDNYNWEA-SNVBAGLBSA-N -1 1 305.765 3.676 20 0 DHADMM COc1ccc(CN(C)[C@@H](C)c2cc(C)c(C(=O)[O-])o2)cc1F ZINC000832310810 604381223 /nfs/dbraw/zinc/38/12/23/604381223.db2.gz HXJZPFFMINXKSQ-NSHDSACASA-N -1 1 321.348 3.627 20 0 DHADMM C[C@@H](Oc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1)C(=O)[O-] ZINC000833538703 604710984 /nfs/dbraw/zinc/71/09/84/604710984.db2.gz VCSTZMSZSAFOIG-SECBINFHSA-N -1 1 316.744 3.735 20 0 DHADMM CCOc1ccc([C@H](C)NCc2cc(C(=O)[O-])oc2CC)cc1 ZINC000833663437 605067146 /nfs/dbraw/zinc/06/71/46/605067146.db2.gz JKBJGOVKCAJUAC-LBPRGKRZSA-N -1 1 317.385 3.790 20 0 DHADMM CC(C)Oc1cccc([C@H](C)NCc2ccc(C(=O)[O-])o2)c1 ZINC000387701624 605067929 /nfs/dbraw/zinc/06/79/29/605067929.db2.gz MERRCIIRHQIWBS-LBPRGKRZSA-N -1 1 303.358 3.616 20 0 DHADMM CC[C@@H](NCc1ccc(C(=O)[O-])c(F)c1)c1ccccc1OC ZINC000833644456 605079628 /nfs/dbraw/zinc/07/96/28/605079628.db2.gz PNLUMPOLNRNUKK-MRXNPFEDSA-N -1 1 317.360 3.773 20 0 DHADMM Cc1ccc([C@@H](C)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)o1 ZINC000830257489 605119918 /nfs/dbraw/zinc/11/99/18/605119918.db2.gz UZLJGKADJQBEJU-CHWSQXEVSA-N -1 1 302.374 3.767 20 0 DHADMM CCc1ccc(C(C)(C)NCc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000833668973 605146083 /nfs/dbraw/zinc/14/60/83/605146083.db2.gz DQMLDOADNOHHNK-UHFFFAOYSA-N -1 1 301.386 3.874 20 0 DHADMM C[C@H](c1ccccc1F)N(C)CCOc1ccccc1C(=O)[O-] ZINC000237422635 605203477 /nfs/dbraw/zinc/20/34/77/605203477.db2.gz YCEZLWNGRMQNMV-CYBMUJFWSA-N -1 1 317.360 3.596 20 0 DHADMM O=C([O-])Nc1ccc(CN2CCC[C@@H]2c2ccsc2)cn1 ZINC000834260354 605481049 /nfs/dbraw/zinc/48/10/49/605481049.db2.gz QFVASZGRMWPBLA-CYBMUJFWSA-N -1 1 303.387 3.570 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000833679365 605703927 /nfs/dbraw/zinc/70/39/27/605703927.db2.gz YFOVUVRAUJAEBH-MWLCHTKSSA-N -1 1 319.323 3.703 20 0 DHADMM C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000833606623 605703987 /nfs/dbraw/zinc/70/39/87/605703987.db2.gz SGTJEDJLIJOVIZ-MWLCHTKSSA-N -1 1 319.298 3.687 20 0 DHADMM O=C([O-])N[C@H]1C[C@H](NCc2cc3ccccc3o2)c2ccccc21 ZINC000834159735 605795525 /nfs/dbraw/zinc/79/55/25/605795525.db2.gz WHEGKTIPQJZEPB-IRXDYDNUSA-N -1 1 322.364 3.976 20 0 DHADMM CC(C)(C)c1ccc2c(c1)CN([C@H](C(=O)[O-])c1cccnc1)CC2 ZINC000565662613 605852416 /nfs/dbraw/zinc/85/24/16/605852416.db2.gz FSQDELOCHKWJCB-SFHVURJKSA-N -1 1 324.424 3.563 20 0 DHADMM O=C([O-])Nc1cccc(CNC2(c3cccc(F)c3)CC2)c1 ZINC000834267895 605972440 /nfs/dbraw/zinc/97/24/40/605972440.db2.gz DTYZBDRIAZJJHF-UHFFFAOYSA-N -1 1 300.333 3.695 20 0 DHADMM Cc1ccc(Cl)cc1Oc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000822239788 606471577 /nfs/dbraw/zinc/47/15/77/606471577.db2.gz DPZPRJKRSRXMKY-UHFFFAOYSA-N -1 1 322.155 3.669 20 0 DHADMM Cc1ccc(Cl)cc1Oc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000822239788 606471579 /nfs/dbraw/zinc/47/15/79/606471579.db2.gz DPZPRJKRSRXMKY-UHFFFAOYSA-N -1 1 322.155 3.669 20 0 DHADMM CO[C@@H]1CCC[C@H]1Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000292613373 1013047290 /nfs/dbraw/zinc/04/72/90/1013047290.db2.gz IZDGSRVRXUSWCN-ZIAGYGMSSA-N -1 1 316.426 3.817 20 0 DHADMM CC(C)c1cccc(Oc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC001574420251 948798157 /nfs/dbraw/zinc/79/81/57/948798157.db2.gz SAZYYOZRTHSRGG-UHFFFAOYSA-N -1 1 321.793 3.892 20 0 DHADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc(Cl)ccc1Cl ZINC000263490245 950488060 /nfs/dbraw/zinc/48/80/60/950488060.db2.gz IHZWRICYJCKUAS-NXEZZACHSA-N -1 1 302.201 3.679 20 0 DHADMM COc1ccc(Cl)cc1CN(C)Cc1cccc(C(=O)[O-])c1 ZINC001594096406 958409064 /nfs/dbraw/zinc/40/90/64/958409064.db2.gz DHQSFYAGRSMSIC-UHFFFAOYSA-N -1 1 319.788 3.679 20 0 DHADMM COc1ccc(Cl)cc1CN[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC001594098373 958417127 /nfs/dbraw/zinc/41/71/27/958417127.db2.gz JZPKWSICCAZCNR-MRXNPFEDSA-N -1 1 319.788 3.573 20 0 DHADMM Cc1cccc([C@H](NCc2cc(F)ccc2Cl)C(=O)[O-])c1 ZINC001594397846 958789006 /nfs/dbraw/zinc/78/90/06/958789006.db2.gz NELCLNNDDQZBMN-HNNXBMFYSA-N -1 1 307.752 3.703 20 0 DHADMM CCOc1cc(C(=O)N[C@@H]2CC=CC[C@H]2C)cc(Cl)c1[O-] ZINC000890771603 1013382881 /nfs/dbraw/zinc/38/28/81/1013382881.db2.gz HJTBBDFIAILORQ-ZWNOBZJWSA-N -1 1 309.793 3.529 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000340330572 1013497303 /nfs/dbraw/zinc/49/73/03/1013497303.db2.gz RLXKVTJMNUDXSP-NEPJUHHUSA-N -1 1 307.271 3.552 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1sccc1Br ZINC000340328563 1013497968 /nfs/dbraw/zinc/49/79/68/1013497968.db2.gz BBIZNUSUNDOTDF-UHFFFAOYSA-N -1 1 316.151 3.608 20 0 DHADMM COc1ccc(C(=O)Nc2c([O-])cccc2F)cc1C1CC1 ZINC000683495362 1013581237 /nfs/dbraw/zinc/58/12/37/1013581237.db2.gz OMFGADGWQJJKFV-UHFFFAOYSA-N -1 1 301.317 3.670 20 0 DHADMM Cc1cccc(Cc2nc(-c3ccc([O-])c(C(N)=O)c3)cs2)c1 ZINC000614539831 1013670084 /nfs/dbraw/zinc/67/00/84/1013670084.db2.gz VSDKDPVCLZPNIF-UHFFFAOYSA-N -1 1 324.405 3.514 20 0 DHADMM COc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c(Cl)c1 ZINC000683594264 1013703177 /nfs/dbraw/zinc/70/31/77/1013703177.db2.gz URDFQSNUWILZEB-UHFFFAOYSA-N -1 1 320.707 3.910 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3cc4ccccc4o3)n2)cc1F ZINC000683593954 1013705362 /nfs/dbraw/zinc/70/53/62/1013705362.db2.gz PSRDFXFVWOCKSK-UHFFFAOYSA-N -1 1 310.284 3.918 20 0 DHADMM CSc1ccc(CNC(=O)c2c([O-])cccc2Cl)cc1 ZINC000049094522 1013773473 /nfs/dbraw/zinc/77/34/73/1013773473.db2.gz HNBXDMIJHKRKEZ-UHFFFAOYSA-N -1 1 307.802 3.698 20 0 DHADMM CC[C@H]1CCCC[C@H]1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000334091215 1013886489 /nfs/dbraw/zinc/88/64/89/1013886489.db2.gz BZCFUYGFQMOCIR-GXFFZTMASA-N -1 1 311.809 3.753 20 0 DHADMM O=C(Nc1cccc(Cl)c1[O-])c1c[nH]nc1-c1ccsc1 ZINC000188927835 1013903913 /nfs/dbraw/zinc/90/39/13/1013903913.db2.gz JKIQJQKVYKHTRX-UHFFFAOYSA-N -1 1 319.773 3.750 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CSc2ccccc21 ZINC000079909887 1013907085 /nfs/dbraw/zinc/90/70/85/1013907085.db2.gz SNICTKIMKJPWGZ-LLVKDONJSA-N -1 1 305.786 3.874 20 0 DHADMM C[C@H](NCc1cc(C(=O)[O-])co1)c1cccc(C(F)(F)F)c1 ZINC000317549062 970369569 /nfs/dbraw/zinc/36/95/69/970369569.db2.gz XVTFXUZXZGBKIO-VIFPVBQESA-N -1 1 313.275 3.847 20 0 DHADMM Cc1cc(CNCc2cccc(C(F)(F)F)c2)oc1C(=O)[O-] ZINC000318043158 970405904 /nfs/dbraw/zinc/40/59/04/970405904.db2.gz NMEORFAUFSEZHT-UHFFFAOYSA-N -1 1 313.275 3.595 20 0 DHADMM Cc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)c(Cl)c1 ZINC001605277789 973071922 /nfs/dbraw/zinc/07/19/22/973071922.db2.gz QEKFGQILAPEFTI-HNNXBMFYSA-N -1 1 307.752 3.703 20 0 DHADMM O=C(NCCc1ccc(Cl)cc1)c1c([O-])cccc1Cl ZINC000049080393 1014089409 /nfs/dbraw/zinc/08/94/09/1014089409.db2.gz MYHOWLBLGRVSDN-UHFFFAOYSA-N -1 1 310.180 3.672 20 0 DHADMM COc1ccccc1[C@H]1CCCN1Cc1csc(C(=O)[O-])c1 ZINC000566359702 974608583 /nfs/dbraw/zinc/60/85/83/974608583.db2.gz ZYFFHYAPZHGTPD-CQSZACIVSA-N -1 1 317.410 3.792 20 0 DHADMM O=C([O-])c1ccoc1CN1CCC[C@H]1c1ccccc1Cl ZINC000571053918 974722796 /nfs/dbraw/zinc/72/27/96/974722796.db2.gz PWNGSLZDQPECHL-AWEZNQCLSA-N -1 1 305.761 3.968 20 0 DHADMM CC(C)[C@@H]1CN(Cc2ccc(C(=O)[O-])c(Cl)c2)CCS1 ZINC000575130810 974795368 /nfs/dbraw/zinc/79/53/68/974795368.db2.gz HPPCIJKSWOEQES-AWEZNQCLSA-N -1 1 313.850 3.612 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000575412483 974799176 /nfs/dbraw/zinc/79/91/76/974799176.db2.gz BDKWXOZDTKZJJY-LLVKDONJSA-N -1 1 321.323 3.554 20 0 DHADMM CC(C)N(Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)C1CC1 ZINC000575755477 974801163 /nfs/dbraw/zinc/80/11/63/974801163.db2.gz QBLAXDCJRYIMEO-UHFFFAOYSA-N -1 1 316.426 3.881 20 0 DHADMM Cc1oc(CN2CC[C@H](C)C[C@@H]2c2ccco2)cc1C(=O)[O-] ZINC000576166691 974810617 /nfs/dbraw/zinc/81/06/17/974810617.db2.gz ZBMURQKKFBRIOP-XHDPSFHLSA-N -1 1 303.358 3.852 20 0 DHADMM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])cn2)[C@H]1c1cccc(F)c1 ZINC000577521567 974837200 /nfs/dbraw/zinc/83/72/00/974837200.db2.gz JARITHQZLZARHN-SJKOYZFVSA-N -1 1 314.360 3.502 20 0 DHADMM O=C([O-])c1cc(CN2CC[C@H](c3c(F)cccc3F)C2)cs1 ZINC000579132882 974869457 /nfs/dbraw/zinc/86/94/57/974869457.db2.gz QKWDJIRGGQVPIJ-NSHDSACASA-N -1 1 323.364 3.714 20 0 DHADMM CCCN(Cc1c(Br)cccc1C(=O)[O-])C1CC1 ZINC000652439751 975532612 /nfs/dbraw/zinc/53/26/12/975532612.db2.gz YCVMUBMHYLEQLX-UHFFFAOYSA-N -1 1 312.207 3.522 20 0 DHADMM O=C([O-])CCC1CCN(Cc2cscc2C(F)(F)F)CC1 ZINC000665343398 975959219 /nfs/dbraw/zinc/95/92/19/975959219.db2.gz HMUMRMJNGHBDLW-UHFFFAOYSA-N -1 1 321.364 3.844 20 0 DHADMM Cc1cccnc1-c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000320406527 1014338383 /nfs/dbraw/zinc/33/83/83/1014338383.db2.gz GZIXKBOYMHPKNH-UHFFFAOYSA-N -1 1 303.321 3.966 20 0 DHADMM CC(C)S(=O)(=O)c1cccc(-c2cc(F)c([O-])cc2F)c1 ZINC001211350888 1014365482 /nfs/dbraw/zinc/36/54/82/1014365482.db2.gz XCAMHIYBKLKCDA-UHFFFAOYSA-N -1 1 312.337 3.520 20 0 DHADMM O=C([O-])C[C@H](NCc1cc(Cl)ccc1F)c1cccs1 ZINC000160738125 1014516546 /nfs/dbraw/zinc/51/65/46/1014516546.db2.gz WDHVFVSJBMWFRW-LBPRGKRZSA-N -1 1 313.781 3.846 20 0 DHADMM CCCCC[C@@H]1CCCN1Cn1nc(C(=O)[O-])c(Cl)c1C ZINC000829347779 978997689 /nfs/dbraw/zinc/99/76/89/978997689.db2.gz MIIOQYBFXZGHKH-GFCCVEGCSA-N -1 1 313.829 3.545 20 0 DHADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(Cl)c(Cl)c1 ZINC000263483012 1014547253 /nfs/dbraw/zinc/54/72/53/1014547253.db2.gz GRQXGSXNFJRFRO-MWLCHTKSSA-N -1 1 302.201 3.679 20 0 DHADMM C[C@H](c1ncc(C(=O)[O-])s1)N(C)[C@@H](C)Cc1cccs1 ZINC001592899893 979816764 /nfs/dbraw/zinc/81/67/64/979816764.db2.gz LINUQCDIMGBMMH-VHSXEESVSA-N -1 1 310.444 3.527 20 0 DHADMM C[C@@H](N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)c1ccccn1 ZINC000871621279 979960014 /nfs/dbraw/zinc/96/00/14/979960014.db2.gz XSFAJAWPKRCNSD-YGRLFVJLSA-N -1 1 324.302 3.577 20 0 DHADMM CC(C)n1c(CNC(=O)CCCC2CCCCC2)n[n-]c1=S ZINC000066639166 1014636593 /nfs/dbraw/zinc/63/65/93/1014636593.db2.gz CUWKCQKPKXTMEP-UHFFFAOYSA-N -1 1 324.494 3.888 20 0 DHADMM CC[C@@H](N[C@@H](C)c1ccc(C(=O)[O-])o1)c1ccccc1OC ZINC001595281287 980332411 /nfs/dbraw/zinc/33/24/11/980332411.db2.gz LLEPRWRIMFXYDB-WCQYABFASA-N -1 1 303.358 3.788 20 0 DHADMM O=C([O-])CC[C@H]1CCCN(Cc2ccsc2C(F)(F)F)C1 ZINC000901551931 980376932 /nfs/dbraw/zinc/37/69/32/980376932.db2.gz KITRKCQDIDVBBE-SNVBAGLBSA-N -1 1 321.364 3.844 20 0 DHADMM O=C([O-])C[C@@H]1CCCN1Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000902009900 980688239 /nfs/dbraw/zinc/68/82/39/980688239.db2.gz KVPWOKMFLALDKD-JTQLQIEISA-N -1 1 321.726 3.798 20 0 DHADMM O=C([O-])CN(Cc1cnc(-c2cccs2)s1)C1CCCC1 ZINC000902038894 980709203 /nfs/dbraw/zinc/70/92/03/980709203.db2.gz RSFUMOKVSNJMDZ-UHFFFAOYSA-N -1 1 322.455 3.701 20 0 DHADMM CCOc1cccc([C@H](C)NCc2cc(C(=O)[O-])c(CC)o2)c1 ZINC000902163914 980763535 /nfs/dbraw/zinc/76/35/35/980763535.db2.gz FVCHJEIDYJGZOM-LBPRGKRZSA-N -1 1 317.385 3.790 20 0 DHADMM CC(C)C[C@H](NCc1cc(C(=O)[O-])no1)c1ccc(Cl)cc1 ZINC000902298581 980824251 /nfs/dbraw/zinc/82/42/51/980824251.db2.gz UTAFLFVVQYAXDL-AWEZNQCLSA-N -1 1 322.792 3.903 20 0 DHADMM Cc1oc(CN[C@H]2CCCc3ccc(F)cc32)cc1C(=O)[O-] ZINC000902399182 980870374 /nfs/dbraw/zinc/87/03/74/980870374.db2.gz ZFRXHSZOBIRTSW-INIZCTEOSA-N -1 1 303.333 3.593 20 0 DHADMM O=C([O-])c1ccc(CN2CCCC3(CC3)C2)c(C(F)(F)F)c1 ZINC000902443553 980890210 /nfs/dbraw/zinc/89/02/10/980890210.db2.gz YANREESRXUISFO-UHFFFAOYSA-N -1 1 313.319 3.780 20 0 DHADMM Cc1ccccc1[C@@]1(F)CCN(Cc2ccc(C(=O)[O-])s2)C1 ZINC000903686236 981013929 /nfs/dbraw/zinc/01/39/29/981013929.db2.gz GETOBYQZIPVKJC-QGZVFWFLSA-N -1 1 319.401 3.825 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)C1(Oc2ccccc2F)CC1 ZINC000442647878 1014711897 /nfs/dbraw/zinc/71/18/97/1014711897.db2.gz LAULBSQVCDLANP-UHFFFAOYSA-N -1 1 321.735 3.735 20 0 DHADMM CC(=O)Nc1cccc(NC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000048370972 1014715588 /nfs/dbraw/zinc/71/55/88/1014715588.db2.gz REJMJQARMUFILT-UHFFFAOYSA-N -1 1 312.369 3.726 20 0 DHADMM CCOc1cccc(S(=O)(=O)[N-]c2c(C)cccc2CC)c1 ZINC000443405851 1014902765 /nfs/dbraw/zinc/90/27/65/1014902765.db2.gz KSCTZQWFXSKOFW-UHFFFAOYSA-N -1 1 319.426 3.757 20 0 DHADMM COc1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1OC ZINC000323832938 1014916510 /nfs/dbraw/zinc/91/65/10/1014916510.db2.gz INAFPYHKPBPOPG-UHFFFAOYSA-N -1 1 323.348 3.815 20 0 DHADMM CC(C)(C)CN(CC(=O)[O-])Cc1cc(Cl)sc1Cl ZINC000665350866 1015005672 /nfs/dbraw/zinc/00/56/72/1015005672.db2.gz HNZBBYGCVSBXCX-UHFFFAOYSA-N -1 1 310.246 3.988 20 0 DHADMM C/C(=C/c1ccccc1)CN(C)Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001589003495 984953027 /nfs/dbraw/zinc/95/30/27/984953027.db2.gz BREBTZBEEBXKPX-JWIYKGGMSA-N -1 1 311.381 3.913 20 0 DHADMM CCN(C(=O)c1cc(Br)ccc1[O-])c1ccccc1 ZINC000011639359 1015143862 /nfs/dbraw/zinc/14/38/62/1015143862.db2.gz DNQYWNFYMCTMCV-UHFFFAOYSA-N -1 1 320.186 3.821 20 0 DHADMM CN(C(=O)c1ccc(Cl)cc1[O-])[C@H]1CCc2ccccc2C1 ZINC000114282508 1015165821 /nfs/dbraw/zinc/16/58/21/1015165821.db2.gz KLMZJWCSYFTJTP-HNNXBMFYSA-N -1 1 315.800 3.675 20 0 DHADMM CCc1[nH]c(CN2CC[C@H](C)[C@@H]3CCCC[C@H]32)cc1C(=O)[O-] ZINC001597385002 987592586 /nfs/dbraw/zinc/59/25/86/987592586.db2.gz PHHOLSPMMNWZBN-RVSPLBMKSA-N -1 1 304.434 3.676 20 0 DHADMM CCc1ccc([C@H]2C[C@@H](C)CCN2Cc2ccc(C(=O)[O-])[nH]2)o1 ZINC001597518327 988136662 /nfs/dbraw/zinc/13/66/62/988136662.db2.gz SOXHEKPAQJXIPB-BLLLJJGKSA-N -1 1 316.401 3.842 20 0 DHADMM CSCc1cccc(CNCc2ccc(/C=C\C(=O)[O-])o2)c1 ZINC001599802946 988206976 /nfs/dbraw/zinc/20/69/76/988206976.db2.gz BOVBNGMOMBLDBF-FPLPWBNLSA-N -1 1 317.410 3.530 20 0 DHADMM CCc1ccc2c(c1)CN(Cc1cc(C(=O)[O-])cs1)CC2 ZINC001597568055 988321501 /nfs/dbraw/zinc/32/15/01/988321501.db2.gz CRVXXOZTUTXFII-UHFFFAOYSA-N -1 1 301.411 3.567 20 0 DHADMM CSc1ccc(F)cc1CNCc1cc(C(=O)[O-])cs1 ZINC001599814504 988397415 /nfs/dbraw/zinc/39/74/15/988397415.db2.gz MBOLOZNJZTYKDM-UHFFFAOYSA-N -1 1 311.403 3.597 20 0 DHADMM [O-]c1ccc(-c2noc(C3C[C@H]4CC[C@@H](C3)S4)n2)c(F)c1 ZINC000896220959 1015503609 /nfs/dbraw/zinc/50/36/09/1015503609.db2.gz MEDLEKFKHHSNMR-UQPYNNQESA-N -1 1 306.362 3.723 20 0 DHADMM COc1ccnc(NCc2ccc(-c3ccccc3C(=O)[O-])o2)c1 ZINC001599722923 991570098 /nfs/dbraw/zinc/57/00/98/991570098.db2.gz YZGIPGMMQMWWAU-UHFFFAOYSA-N -1 1 324.336 3.661 20 0 DHADMM COc1cc(C(=O)N[C@H]2C[C@H]2C2CCCCC2)cc(Cl)c1[O-] ZINC000153890834 1015694203 /nfs/dbraw/zinc/69/42/03/1015694203.db2.gz RQIJYZUREQEIDE-JSGCOSHPSA-N -1 1 323.820 3.753 20 0 DHADMM Cc1c(=O)[n-]c(S[C@@H](C)C(=O)C2CC2)nc1-c1ccccc1 ZINC000280959642 1015813781 /nfs/dbraw/zinc/81/37/81/1015813781.db2.gz JXTAFIQJCVDEIO-NSHDSACASA-N -1 1 314.410 3.617 20 0 DHADMM C[C@@H](NCC1(C(F)(F)F)CCCC1)c1ncc(C(=O)[O-])s1 ZINC001593250767 994488081 /nfs/dbraw/zinc/48/80/81/994488081.db2.gz WOIVJNKJAMFETN-MRVPVSSYSA-N -1 1 322.352 3.615 20 0 DHADMM C[C@H](NCc1cccc(C(=O)[O-])c1)c1ccccc1OC(F)F ZINC001593305104 994758894 /nfs/dbraw/zinc/75/88/94/994758894.db2.gz VTESOQBAQFAVEU-NSHDSACASA-N -1 1 321.323 3.837 20 0 DHADMM COC[C@H](NCc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001599176844 996863595 /nfs/dbraw/zinc/86/35/95/996863595.db2.gz HZDKCAZYMQXOHE-INIZCTEOSA-N -1 1 319.788 3.516 20 0 DHADMM CCc1nc(SC[C@@H](OC)c2ccccc2)[n-]c(=O)c1C ZINC000657263756 1016136071 /nfs/dbraw/zinc/13/60/71/1016136071.db2.gz CHYAWCHAFZIBDB-CQSZACIVSA-N -1 1 304.415 3.533 20 0 DHADMM COc1c(C)cccc1CN[C@H](C(=O)[O-])c1ccccc1Cl ZINC001599334247 997805083 /nfs/dbraw/zinc/80/50/83/997805083.db2.gz ROBOXKCHFUCQDO-HNNXBMFYSA-N -1 1 319.788 3.573 20 0 DHADMM [O-]c1c(Br)c(F)ccc1Nc1cc(F)nc(F)c1 ZINC001213083734 1016224572 /nfs/dbraw/zinc/22/45/72/1016224572.db2.gz QKUYKGNTJSUABU-UHFFFAOYSA-N -1 1 319.080 3.711 20 0 DHADMM Cc1nc(-c2ccc(N[C@H]3C[C@@]3(C)C(C)C)nc2)[n-]c(=O)c1C ZINC000413436384 1016288968 /nfs/dbraw/zinc/28/89/68/1016288968.db2.gz NDQFQHDQOZQEJV-KSSFIOAISA-N -1 1 312.417 3.708 20 0 DHADMM CCC(CC)c1nnc([N-]C(=O)c2cc(C(C)(C)C)on2)s1 ZINC000152125426 1016350775 /nfs/dbraw/zinc/35/07/75/1016350775.db2.gz FFFIJVXEYZYQEL-UHFFFAOYSA-N -1 1 322.434 3.980 20 0 DHADMM Cc1cc(C)cc(C[C@@H](NCc2cc3ccccc3o2)C(=O)[O-])c1 ZINC000277512591 1016491844 /nfs/dbraw/zinc/49/18/44/1016491844.db2.gz YHKJLRBOCXBBMD-GOSISDBHSA-N -1 1 323.392 3.835 20 0 DHADMM Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000230406390 1039781508 /nfs/dbraw/zinc/78/15/08/1039781508.db2.gz ZNAVXEYLCWADME-UHFFFAOYSA-N -1 1 323.226 3.559 20 0 DHADMM C[C@@H](c1ccco1)N(C)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684870770 1016749931 /nfs/dbraw/zinc/74/99/31/1016749931.db2.gz OQNCKCNGGZHPBV-VIFPVBQESA-N -1 1 313.275 3.837 20 0 DHADMM C[C@H](c1ccco1)N(C)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684870769 1016750177 /nfs/dbraw/zinc/75/01/77/1016750177.db2.gz OQNCKCNGGZHPBV-SECBINFHSA-N -1 1 313.275 3.837 20 0 DHADMM CC1(CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)CCCC1 ZINC000684874162 1016758654 /nfs/dbraw/zinc/75/86/54/1016758654.db2.gz RDUMPSKFCGKEPQ-UHFFFAOYSA-N -1 1 301.308 3.721 20 0 DHADMM CCCCN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CC1 ZINC000684871239 1016754032 /nfs/dbraw/zinc/75/40/32/1016754032.db2.gz CGSUOXGIFHQXHM-UHFFFAOYSA-N -1 1 301.308 3.816 20 0 DHADMM O=c1nc(CN2CCCC3(CCCCC3)C2)[n-]c2ccsc21 ZINC000111323570 1016754958 /nfs/dbraw/zinc/75/49/58/1016754958.db2.gz YWJOKDXPAYXOMA-UHFFFAOYSA-N -1 1 317.458 3.531 20 0 DHADMM Cc1ccc2nc(-c3cccc(C(F)(F)F)n3)[n-]c(=O)c2c1 ZINC000342631549 1016885035 /nfs/dbraw/zinc/88/50/35/1016885035.db2.gz FTPWJCLRFYPWTM-UHFFFAOYSA-N -1 1 305.259 3.725 20 0 DHADMM CCC[C@@H](C(=O)OCc1cc(=O)oc2cc([O-])ccc12)C(C)C ZINC000763853976 1016894633 /nfs/dbraw/zinc/89/46/33/1016894633.db2.gz QVWGHMZPDBZSGZ-CQSZACIVSA-N -1 1 318.369 3.614 20 0 DHADMM CN(C[C@H]1CC=CCC1)C(=O)c1ccc(Br)c([O-])c1 ZINC000345469001 1017028763 /nfs/dbraw/zinc/02/87/63/1017028763.db2.gz LRTWATPPURORJB-NSHDSACASA-N -1 1 324.218 3.583 20 0 DHADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1 ZINC000476424095 1032178369 /nfs/dbraw/zinc/17/83/69/1032178369.db2.gz QGSRNDFOSHXNDN-UHFFFAOYSA-N -1 1 323.389 3.722 20 0 DHADMM CC(C)Oc1c(Cl)cccc1NC(=O)c1ccc(O)cc1[O-] ZINC000118243366 1032239874 /nfs/dbraw/zinc/23/98/74/1032239874.db2.gz PIDVLZFYKWNDSO-UHFFFAOYSA-N -1 1 321.760 3.791 20 0 DHADMM C[C@H](CCC(C)(C)C)NC(=O)c1ncc2ccccc2c1[O-] ZINC001147198253 1032289274 /nfs/dbraw/zinc/28/92/74/1032289274.db2.gz GBMMMTPYVTURKI-GFCCVEGCSA-N -1 1 300.402 3.885 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001148322910 1032387966 /nfs/dbraw/zinc/38/79/66/1032387966.db2.gz TYCVDLXAELHNAW-UHFFFAOYSA-N -1 1 321.380 3.954 20 0 DHADMM O=C(Nc1cc(C2CC2)[nH]n1)c1cccc(-c2ccccc2)c1[O-] ZINC001148861811 1032449557 /nfs/dbraw/zinc/44/95/57/1032449557.db2.gz ZBNCHQXHZDWDPU-UHFFFAOYSA-N -1 1 319.364 3.912 20 0 DHADMM C[C@@H](CCCC(F)(F)F)NC(=O)c1c([O-])cccc1Cl ZINC000757643832 1032449599 /nfs/dbraw/zinc/44/95/99/1032449599.db2.gz FESBHIJZLCMNIU-QMMMGPOBSA-N -1 1 309.715 3.897 20 0 DHADMM O=C([N-]c1cc(F)cc(F)c1F)c1cc(-c2ccco2)on1 ZINC000348111935 1032464507 /nfs/dbraw/zinc/46/45/07/1032464507.db2.gz PWKNWYUUISXQJQ-UHFFFAOYSA-N -1 1 308.215 3.604 20 0 DHADMM C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)c1cccc(F)c1 ZINC000665686958 1017290667 /nfs/dbraw/zinc/29/06/67/1017290667.db2.gz PYFAHDLYKFYUSN-VIFPVBQESA-N -1 1 318.373 3.562 20 0 DHADMM CCCCCC(C)(C)CNC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001149593956 1032533165 /nfs/dbraw/zinc/53/31/65/1032533165.db2.gz HBOVZUHMQXGTRT-UHFFFAOYSA-N -1 1 305.418 3.849 20 0 DHADMM CC(C)CCc1nc(CN2CCCC[C@@H]2CCC(=O)[O-])cs1 ZINC000424267716 1011956873 /nfs/dbraw/zinc/95/68/73/1011956873.db2.gz YIUYJUJYXVGPEY-OAHLLOKOSA-N -1 1 324.490 3.951 20 0 DHADMM CC(C)(C)C1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000654727032 1011967272 /nfs/dbraw/zinc/96/72/72/1011967272.db2.gz JPLSCUDQWRUEPP-UHFFFAOYSA-N -1 1 301.308 3.529 20 0 DHADMM O=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)c1ccc([O-])c(F)c1 ZINC000683138244 1012085449 /nfs/dbraw/zinc/08/54/49/1012085449.db2.gz JUSZPBJPYXZFGS-ZBFHGGJFSA-N -1 1 313.372 3.988 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c(C)c1 ZINC000157524521 1012413269 /nfs/dbraw/zinc/41/32/69/1012413269.db2.gz JXASKBZBBQRYCL-UHFFFAOYSA-N -1 1 315.316 3.522 20 0 DHADMM CCC(CC)[C@@H](NC(=O)c1cncc([O-])c1)c1cccs1 ZINC000339813722 1012888785 /nfs/dbraw/zinc/88/87/85/1012888785.db2.gz QEEBVYNCYVHXNN-OAHLLOKOSA-N -1 1 304.415 3.756 20 0 DHADMM CC[C@H](CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C(C)C ZINC000517083911 1012903642 /nfs/dbraw/zinc/90/36/42/1012903642.db2.gz CAKAUEBUWHWSQH-GFCCVEGCSA-N -1 1 301.390 3.793 20 0 DHADMM C[C@H](NC(=O)c1cncc([O-])c1)c1cc(Cl)ccc1Cl ZINC000339876725 1012988432 /nfs/dbraw/zinc/98/84/32/1012988432.db2.gz AGOOXWAPXUGFBG-QMMMGPOBSA-N -1 1 311.168 3.585 20 0 DHADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(Cl)nc1C ZINC000314740314 1017365423 /nfs/dbraw/zinc/36/54/23/1017365423.db2.gz XUCZKPKZRQVTPJ-UHFFFAOYSA-N -1 1 324.833 3.715 20 0 DHADMM CCOc1cc(-c2noc(C3(C)CCC3)n2)cc(Cl)c1[O-] ZINC000445409864 1017849749 /nfs/dbraw/zinc/84/97/49/1017849749.db2.gz BYTIKDOCZOMFTI-UHFFFAOYSA-N -1 1 308.765 3.936 20 0 DHADMM Cc1ncc(/C=C\c2nc(-c3ccc([O-])c(F)c3)no2)s1 ZINC000445482511 1017874294 /nfs/dbraw/zinc/87/42/94/1017874294.db2.gz QGJFUIFSHZVTOI-HYXAFXHYSA-N -1 1 303.318 3.517 20 0 DHADMM C[C@@H](Sc1ccccn1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445484050 1017880112 /nfs/dbraw/zinc/88/01/12/1017880112.db2.gz UWMIBTRYDSFILX-SECBINFHSA-N -1 1 317.345 3.830 20 0 DHADMM CCOc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445476710 1017883057 /nfs/dbraw/zinc/88/30/57/1017883057.db2.gz HITQMSIIAHCBSK-UHFFFAOYSA-N -1 1 300.289 3.647 20 0 DHADMM COc1cc(C(=O)N([C@@H](C)C(C)C)C2CC2)cc(Cl)c1[O-] ZINC000153659208 1017938889 /nfs/dbraw/zinc/93/88/89/1017938889.db2.gz KKDANLSNRRXGQY-JTQLQIEISA-N -1 1 311.809 3.703 20 0 DHADMM COc1cc(C(=O)N2C[C@H](C)CCC[C@H]2C)cc(Cl)c1[O-] ZINC000153886794 1018059592 /nfs/dbraw/zinc/05/95/92/1018059592.db2.gz ZFYGEVIQTDDLJP-GHMZBOCLSA-N -1 1 311.809 3.705 20 0 DHADMM Cc1oc2ccccc2c1CN1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000325383090 1018307118 /nfs/dbraw/zinc/30/71/18/1018307118.db2.gz TVQIXXLPKBVYJN-SFHVURJKSA-N -1 1 321.376 3.753 20 0 DHADMM CC(C)(C)c1nc(CN2CCCC[C@H]2CCC(=O)[O-])cs1 ZINC000050925647 1018330376 /nfs/dbraw/zinc/33/03/76/1018330376.db2.gz PIRXISWKLUPBIJ-ZDUSSCGKSA-N -1 1 310.463 3.660 20 0 DHADMM Cc1c(CSC(C)C)cccc1NC(=O)c1cncc([O-])c1 ZINC000173913266 1018372963 /nfs/dbraw/zinc/37/29/63/1018372963.db2.gz XTQGRZJMDLQGRT-UHFFFAOYSA-N -1 1 316.426 3.990 20 0 DHADMM CC[C@@H]1C[C@H](Cc2nc(-c3ccc([O-])cc3Cl)no2)CCO1 ZINC000278215254 1018377315 /nfs/dbraw/zinc/37/73/15/1018377315.db2.gz QOCYHGHRQHPJDM-ZYHUDNBSSA-N -1 1 322.792 3.843 20 0 DHADMM O=C1[N-]C(=O)C(=Cc2cc(C(F)(F)F)ccc2Cl)S1 ZINC000874928225 1032764143 /nfs/dbraw/zinc/76/41/43/1032764143.db2.gz MMEFJJCBSKSTRV-YWEYNIOJSA-N -1 1 307.680 3.683 20 0 DHADMM COc1cc(C(=O)NC[C@H](C)c2ccccc2)cc(Cl)c1[O-] ZINC000527196475 1018534373 /nfs/dbraw/zinc/53/43/73/1018534373.db2.gz YVBDIQHJCZOWOD-NSHDSACASA-N -1 1 319.788 3.588 20 0 DHADMM O=C([O-])C[C@H]1CCCN(Cc2csc(C3CCCCC3)n2)C1 ZINC000676234308 1018684689 /nfs/dbraw/zinc/68/46/89/1018684689.db2.gz YXKUYOJPWKXMHV-CYBMUJFWSA-N -1 1 322.474 3.878 20 0 DHADMM O=C(Nc1ccc2c(Cl)cccc2n1)c1ccc([O-])c(F)c1 ZINC000672107481 1018783181 /nfs/dbraw/zinc/78/31/81/1018783181.db2.gz YHJPHQYZMZJOGX-UHFFFAOYSA-N -1 1 316.719 3.985 20 0 DHADMM Cc1c(F)cccc1-c1ccc(CN(CC(=O)[O-])C2CCC2)o1 ZINC000656100927 1018789265 /nfs/dbraw/zinc/78/92/65/1018789265.db2.gz FUHAEGBNTZCUSK-UHFFFAOYSA-N -1 1 317.360 3.833 20 0 DHADMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000033870481 1018953138 /nfs/dbraw/zinc/95/31/38/1018953138.db2.gz IKIMJSADBJOMRR-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM CSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000007056705 1019001978 /nfs/dbraw/zinc/00/19/78/1019001978.db2.gz MOEBWPSQXQHDJK-UHFFFAOYSA-N -1 1 319.451 3.698 20 0 DHADMM COc1ccc2nc(-c3oc4ccccc4c3C)[n-]c(=O)c2c1 ZINC000063580543 1019062184 /nfs/dbraw/zinc/06/21/84/1019062184.db2.gz PQPNSZJKNRKLEQ-UHFFFAOYSA-N -1 1 306.321 3.653 20 0 DHADMM Cc1nc(CN2CCC[C@H](CC(=O)[O-])CC2)sc1C(C)(C)C ZINC000923241150 1019084083 /nfs/dbraw/zinc/08/40/83/1019084083.db2.gz OKNZGVRDJMSWCY-ZDUSSCGKSA-N -1 1 324.490 3.826 20 0 DHADMM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(F)ccc1[O-] ZINC000387354111 1019089420 /nfs/dbraw/zinc/08/94/20/1019089420.db2.gz ZAKHRMQLEUUUOV-CYBMUJFWSA-N -1 1 301.361 3.972 20 0 DHADMM CC[C@]1(C(=O)[O-])CCCN(Cc2csc(CCC(C)C)n2)C1 ZINC000923470131 1019219700 /nfs/dbraw/zinc/21/97/00/1019219700.db2.gz IMBAPVFTVMSQSE-KRWDZBQOSA-N -1 1 324.490 3.809 20 0 DHADMM Nc1ccccc1S(=O)(=O)[N-]c1ccc(C2CCCC2)cc1 ZINC001212457512 1019236750 /nfs/dbraw/zinc/23/67/50/1019236750.db2.gz GXPUVPSEGHMTCX-UHFFFAOYSA-N -1 1 316.426 3.727 20 0 DHADMM CCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000032548913 1019244239 /nfs/dbraw/zinc/24/42/39/1019244239.db2.gz YENQZHGEVXOOIR-UHFFFAOYSA-N -1 1 302.248 3.522 20 0 DHADMM COc1ccc([C@@H](C)NC(=O)c2c([O-])cccc2Cl)cc1F ZINC000143496966 1019391030 /nfs/dbraw/zinc/39/10/30/1019391030.db2.gz UITYEPMYUGAOBM-SECBINFHSA-N -1 1 323.751 3.684 20 0 DHADMM COc1ccc(-c2noc(-c3ncccc3[O-])n2)c2ccccc12 ZINC001212480986 1019415367 /nfs/dbraw/zinc/41/53/67/1019415367.db2.gz TYWPARCZMCYPCL-UHFFFAOYSA-N -1 1 319.320 3.666 20 0 DHADMM CCn1ccc(CN(C)C(=O)c2cc3ccccc3cc2[O-])c1 ZINC000682948681 1019710465 /nfs/dbraw/zinc/71/04/65/1019710465.db2.gz XUAFDLFIZYYVOO-UHFFFAOYSA-N -1 1 308.381 3.639 20 0 DHADMM CCCCCC[C@@H](C)CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000727672552 1019756143 /nfs/dbraw/zinc/75/61/43/1019756143.db2.gz BHEMCHKCTAFZQI-SECBINFHSA-N -1 1 306.332 3.759 20 0 DHADMM CCCCCC[C@H](C)CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000727672555 1019756534 /nfs/dbraw/zinc/75/65/34/1019756534.db2.gz BHEMCHKCTAFZQI-VIFPVBQESA-N -1 1 306.332 3.759 20 0 DHADMM CCCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000065268734 1019898232 /nfs/dbraw/zinc/89/82/32/1019898232.db2.gz OFXOWZQOPXFRIN-UHFFFAOYSA-N -1 1 316.275 3.912 20 0 DHADMM O=C(N[C@@H]1CCc2ccc(F)cc21)c1c([O-])cccc1Cl ZINC000730287621 1019969552 /nfs/dbraw/zinc/96/95/52/1019969552.db2.gz WDSMMZTUZWTDCH-CYBMUJFWSA-N -1 1 305.736 3.602 20 0 DHADMM [O-]c1cccc(CN[C@@H]2c3ccccc3OC[C@H]2F)c1Cl ZINC000922521939 1020112154 /nfs/dbraw/zinc/11/21/54/1020112154.db2.gz OKFMQPYIZDXPFE-MLGOLLRUSA-N -1 1 307.752 3.607 20 0 DHADMM CC(C)[C@@H]1N(C(=O)c2ncccc2[O-])CC12CCCCCC2 ZINC001171737484 1032879842 /nfs/dbraw/zinc/87/98/42/1032879842.db2.gz NFSLFKPFXXCNBT-INIZCTEOSA-N -1 1 302.418 3.608 20 0 DHADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCCC2(CC2)C1 ZINC000338869676 1020185483 /nfs/dbraw/zinc/18/54/83/1020185483.db2.gz WRYRJVHOEKFGQP-UHFFFAOYSA-N -1 1 316.788 3.610 20 0 DHADMM CC1(C)C[C@]1(CNC(=O)c1ccc(F)c([O-])c1)c1ccccc1 ZINC001167687121 1020363311 /nfs/dbraw/zinc/36/33/11/1020363311.db2.gz HJDWFYGRMRVDQZ-IBGZPJMESA-N -1 1 313.372 3.629 20 0 DHADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000055548156 1020450784 /nfs/dbraw/zinc/45/07/84/1020450784.db2.gz BETXTSLEMWLPSJ-UHFFFAOYSA-N -1 1 307.390 3.806 20 0 DHADMM CC(=O)c1cc(-c2nc(-c3ccc(C)c4ccccc34)no2)n[n-]1 ZINC001212429893 1020507679 /nfs/dbraw/zinc/50/76/79/1020507679.db2.gz PPTCNVMJJLAUEB-UHFFFAOYSA-N -1 1 318.336 3.791 20 0 DHADMM CC(=O)c1cc(-c2nc(-c3ccc(C)c4ccccc34)no2)[n-]n1 ZINC001212429893 1020507684 /nfs/dbraw/zinc/50/76/84/1020507684.db2.gz PPTCNVMJJLAUEB-UHFFFAOYSA-N -1 1 318.336 3.791 20 0 DHADMM CC(=O)c1cc(-c2nc(-c3ccc(F)c4ccccc34)no2)n[n-]1 ZINC001212430048 1020510035 /nfs/dbraw/zinc/51/00/35/1020510035.db2.gz XOENHBJUVITVJM-UHFFFAOYSA-N -1 1 322.299 3.622 20 0 DHADMM CC(=O)c1cc(-c2nc(-c3ccc(F)c4ccccc34)no2)[n-]n1 ZINC001212430048 1020510061 /nfs/dbraw/zinc/51/00/61/1020510061.db2.gz XOENHBJUVITVJM-UHFFFAOYSA-N -1 1 322.299 3.622 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2c(C)ccc3ncccc32)cc1 ZINC000673981535 1020598314 /nfs/dbraw/zinc/59/83/14/1020598314.db2.gz FVEXFYDBLDCECG-UHFFFAOYSA-N -1 1 312.394 3.652 20 0 DHADMM O=c1nc(N[C@@H]2CC[C@H](Cc3ccccc3)C2)cc(Cl)[n-]1 ZINC000858505128 1032927306 /nfs/dbraw/zinc/92/73/06/1032927306.db2.gz FVEIROXXKNMKFT-CHWSQXEVSA-N -1 1 303.793 3.659 20 0 DHADMM Cc1ccc(/C=C/S(=O)(=O)[N-]c2cc(Cl)ccc2O)cc1 ZINC000740811477 1020953297 /nfs/dbraw/zinc/95/32/97/1020953297.db2.gz JVQQFYLLWFUXDO-CMDGGOBGSA-N -1 1 323.801 3.767 20 0 DHADMM O=S(=O)([N-]c1cccc(SC(F)F)c1)c1ccccc1 ZINC000066588466 1020953615 /nfs/dbraw/zinc/95/36/15/1020953615.db2.gz NRFMNQXEKDJNAD-UHFFFAOYSA-N -1 1 315.366 3.802 20 0 DHADMM CN(CCc1cccs1)C(=O)c1ccc2ccccc2c1[O-] ZINC000174728701 1020997933 /nfs/dbraw/zinc/99/79/33/1020997933.db2.gz XOUNPSZMIZVWQP-UHFFFAOYSA-N -1 1 311.406 3.922 20 0 DHADMM O=c1nc(N[C@H]2CCCC[C@H]2CC(F)(F)F)cc(Cl)[n-]1 ZINC000858557802 1032944595 /nfs/dbraw/zinc/94/45/95/1032944595.db2.gz ABGBUXLQOZZSDF-YUMQZZPRSA-N -1 1 309.719 3.759 20 0 DHADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1c(O)cccc1F ZINC000742230414 1021100364 /nfs/dbraw/zinc/10/03/64/1021100364.db2.gz FGNDPXCBANDRRF-UHFFFAOYSA-N -1 1 323.389 3.630 20 0 DHADMM Cc1ccc2c(c1)nc(C[N-]c1nc(-c3ccccc3)no1)n2C ZINC000685914149 1021106960 /nfs/dbraw/zinc/10/69/60/1021106960.db2.gz NGNGVVVLMAWCOC-UHFFFAOYSA-N -1 1 319.368 3.544 20 0 DHADMM Cc1cnc(SCc2cccc(OCC(C)C)c2)[n-]c1=O ZINC000641487794 1021112312 /nfs/dbraw/zinc/11/23/12/1021112312.db2.gz OTBXEANFCCTBOG-UHFFFAOYSA-N -1 1 304.415 3.818 20 0 DHADMM O=c1cc(C(F)(F)F)nc(SCc2cccc(Cl)n2)[n-]1 ZINC000743453033 1021294024 /nfs/dbraw/zinc/29/40/24/1021294024.db2.gz HTAZLEWHIXOIQN-UHFFFAOYSA-N -1 1 321.711 3.542 20 0 DHADMM O=C([N-]O[C@@H]1CCCCO1)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000108792246 1021377077 /nfs/dbraw/zinc/37/70/77/1021377077.db2.gz IENGPJWCKHVZJP-OKZBNKHCSA-N -1 1 311.381 3.518 20 0 DHADMM Cc1ccccc1CCNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000670418955 1021389070 /nfs/dbraw/zinc/38/90/70/1021389070.db2.gz UOUKFHBKWAOUNW-UHFFFAOYSA-N -1 1 323.314 3.692 20 0 DHADMM Cc1nc(-c2ccc(N[C@@H]3CC34CCCCC4)nc2)[n-]c(=O)c1C ZINC000181265914 1021405284 /nfs/dbraw/zinc/40/52/84/1021405284.db2.gz DRRMDRXKDFCBTL-OAHLLOKOSA-N -1 1 324.428 3.583 20 0 DHADMM C[C@H](c1ccco1)N(C(=O)c1ncc2ccccc2c1[O-])C1CC1 ZINC000667048723 1032985361 /nfs/dbraw/zinc/98/53/61/1032985361.db2.gz IGVRWWJBTJYWBZ-GFCCVEGCSA-N -1 1 322.364 3.899 20 0 DHADMM Cc1nc(SCCOC2CCCCC2)[n-]c(=O)c1C1CC1 ZINC000918462931 1021525756 /nfs/dbraw/zinc/52/57/56/1021525756.db2.gz KQLLVLPQYAYRFH-UHFFFAOYSA-N -1 1 308.447 3.809 20 0 DHADMM Cc1nc(SCCc2cccc(F)c2)[n-]c(=O)c1C1CC1 ZINC000918462418 1021526397 /nfs/dbraw/zinc/52/63/97/1021526397.db2.gz GQUTVCAEVQSGPC-UHFFFAOYSA-N -1 1 304.390 3.842 20 0 DHADMM CCCCc1nc(CN2[C@H](C)[C@H](C(=O)[O-])CC[C@@H]2C)cs1 ZINC000659798286 1021535102 /nfs/dbraw/zinc/53/51/02/1021535102.db2.gz QFPQSRLMUWVSTH-OUCADQQQSA-N -1 1 310.463 3.559 20 0 DHADMM O=C(COC(=O)c1ccc(Cl)c(Cl)c1[O-])C1CCCC1 ZINC000744976234 1021631861 /nfs/dbraw/zinc/63/18/61/1021631861.db2.gz IHUIXZSNXKMVNX-UHFFFAOYSA-N -1 1 317.168 3.615 20 0 DHADMM CCc1nc(SC[C@@]2(C)CC2(Cl)Cl)[n-]c(=O)c1C ZINC000849921969 1032997329 /nfs/dbraw/zinc/99/73/29/1032997329.db2.gz UAVPSIDACQLFST-LLVKDONJSA-N -1 1 307.246 3.729 20 0 DHADMM C/C(=C/C(=O)OCc1cc(=O)oc2cc([O-])ccc12)C(C)(C)C ZINC000745597641 1021740047 /nfs/dbraw/zinc/74/00/47/1021740047.db2.gz RJLAHKZVBQLRTI-XFFZJAGNSA-N -1 1 316.353 3.534 20 0 DHADMM CCO[C@@H]1C[C@H](NC(=O)c2cc(Cl)ccc2[O-])C12CCCC2 ZINC001137104066 1033009190 /nfs/dbraw/zinc/00/91/90/1033009190.db2.gz BOLUNFYWCGPMKN-LSDHHAIUSA-N -1 1 323.820 3.513 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1c(F)c(F)cc(F)c1F ZINC000182877917 1021835320 /nfs/dbraw/zinc/83/53/20/1021835320.db2.gz ZMFZZUUZFOSUHV-UHFFFAOYSA-N -1 1 319.641 3.854 20 0 DHADMM O=C(CCSc1ccccc1)Nc1cc([O-])c(F)cc1F ZINC001625893708 1021991770 /nfs/dbraw/zinc/99/17/70/1021991770.db2.gz KOUDZGJDSUPRJU-UHFFFAOYSA-N -1 1 309.337 3.791 20 0 DHADMM C[C@H](NC(=O)c1c([O-])cccc1Cl)c1c(F)cccc1F ZINC000920444778 1022120708 /nfs/dbraw/zinc/12/07/08/1022120708.db2.gz KSTDTTPKQLDTIZ-QMMMGPOBSA-N -1 1 311.715 3.815 20 0 DHADMM CN(CCCc1ccccc1)C(=O)c1c([O-])cccc1Cl ZINC000920451300 1022123908 /nfs/dbraw/zinc/12/39/08/1022123908.db2.gz NAOZQGSGVIRSQN-UHFFFAOYSA-N -1 1 303.789 3.750 20 0 DHADMM CCOc1ccc([C@H](C)NC(=O)c2c([O-])cccc2Cl)cc1 ZINC000920436807 1022127628 /nfs/dbraw/zinc/12/76/28/1022127628.db2.gz GZZUHHWFCWWKED-NSHDSACASA-N -1 1 319.788 3.935 20 0 DHADMM CC[C@@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000620576065 1022195822 /nfs/dbraw/zinc/19/58/22/1022195822.db2.gz PDEMNPZHEHTXJP-CMPLNLGQSA-N -1 1 311.809 3.847 20 0 DHADMM CC(C)C[C@@H](C)OCCC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885675783 1022442890 /nfs/dbraw/zinc/44/28/90/1022442890.db2.gz ARADNTAERUFOJC-SNVBAGLBSA-N -1 1 317.788 3.965 20 0 DHADMM CCCOc1ccc(NC(=O)c2c([O-])cccc2OC)cc1F ZINC001169562177 1022452574 /nfs/dbraw/zinc/45/25/74/1022452574.db2.gz YELUHAKXCQETFG-UHFFFAOYSA-N -1 1 319.332 3.581 20 0 DHADMM CO[C@H]1CCC[C@@H](CC(=O)Nc2cc(F)c([O-])cc2Cl)C1 ZINC000885678314 1022461888 /nfs/dbraw/zinc/46/18/88/1022461888.db2.gz MUHDKEHDCYWCEW-ZJUUUORDSA-N -1 1 315.772 3.719 20 0 DHADMM CO[C@H]1CCC[C@H](CC(=O)Nc2cc(F)c([O-])cc2Cl)C1 ZINC000885678312 1022462594 /nfs/dbraw/zinc/46/25/94/1022462594.db2.gz MUHDKEHDCYWCEW-UWVGGRQHSA-N -1 1 315.772 3.719 20 0 DHADMM C[C@H](C(=O)[N-]OCC(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000766765220 1022485936 /nfs/dbraw/zinc/48/59/36/1022485936.db2.gz MRKPUBANXAKHDT-LURJTMIESA-N -1 1 316.106 3.707 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1[C@@H]1CCCC1=O ZINC000272144109 1022491323 /nfs/dbraw/zinc/49/13/23/1022491323.db2.gz DXIXOBDKOXLQNB-DOTOQJQBSA-N -1 1 323.392 3.519 20 0 DHADMM CC(=O)c1cc2c(cc1Nc1ccc(Cl)c([O-])c1)OCO2 ZINC001212593534 1022497354 /nfs/dbraw/zinc/49/73/54/1022497354.db2.gz WKFSOLPNIGCKJU-UHFFFAOYSA-N -1 1 305.717 3.721 20 0 DHADMM O=C(Nc1ccccc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000010464582 1022533115 /nfs/dbraw/zinc/53/31/15/1022533115.db2.gz RXBHGSMGWPZFBX-UHFFFAOYSA-N -1 1 324.380 3.519 20 0 DHADMM CCOc1cc(C(=O)Oc2ccccc2OC)cc(Cl)c1[O-] ZINC000186423558 1022574809 /nfs/dbraw/zinc/57/48/09/1022574809.db2.gz ICSBWJXYJJLVKC-UHFFFAOYSA-N -1 1 322.744 3.672 20 0 DHADMM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000276400476 1022628135 /nfs/dbraw/zinc/62/81/35/1022628135.db2.gz WKQOOGFFMFHMTB-LLVKDONJSA-N -1 1 321.726 3.849 20 0 DHADMM CC[C@@H]1CO[C@@H](C)CN1Cc1c2ccccc2sc1C(=O)[O-] ZINC000315352198 1022633563 /nfs/dbraw/zinc/63/35/63/1022633563.db2.gz PTQOVGABMOBKQP-NWDGAFQWSA-N -1 1 319.426 3.599 20 0 DHADMM Cc1ccc(C2=CCN(C(=O)c3ccc([O-])c(F)c3)CC2)cc1 ZINC000767292943 1022681653 /nfs/dbraw/zinc/68/16/53/1022681653.db2.gz YYXJSCGSLLCRMS-UHFFFAOYSA-N -1 1 311.356 3.769 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H](F)CC1CCCCC1 ZINC000837087108 1022699631 /nfs/dbraw/zinc/69/96/31/1022699631.db2.gz ZJVVTDRQSFVIEW-SNVBAGLBSA-N -1 1 301.308 3.917 20 0 DHADMM Cc1cc(C(=O)[N-]c2c(F)ccnc2F)c(C(F)(F)F)o1 ZINC001129366799 1022713384 /nfs/dbraw/zinc/71/33/84/1022713384.db2.gz CBCWYXBOJDGLJU-UHFFFAOYSA-N -1 1 306.190 3.532 20 0 DHADMM O=C(OCCC(Cl)(Cl)Cl)c1cc(-c2ccco2)n[nH]1 ZINC000767474007 1022723074 /nfs/dbraw/zinc/72/30/74/1022723074.db2.gz SHGOKOBLEOKJAV-UHFFFAOYSA-N -1 1 323.563 3.587 20 0 DHADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1C[C@@H]2CCCC[C@@H]21 ZINC000616723644 1022755503 /nfs/dbraw/zinc/75/55/03/1022755503.db2.gz OUIIMCLINCSQBP-HZMBPMFUSA-N -1 1 316.788 3.608 20 0 DHADMM CC(C)c1ncc(CN[C@H](CC(=O)[O-])c2ccsc2)s1 ZINC000417538521 1022779012 /nfs/dbraw/zinc/77/90/12/1022779012.db2.gz UPWYXBGMBWVSRS-GFCCVEGCSA-N -1 1 310.444 3.634 20 0 DHADMM COc1ccc([C@H](CCC(=O)[O-])NCc2ccc(Cl)o2)cc1 ZINC000417574375 1022787807 /nfs/dbraw/zinc/78/78/07/1022787807.db2.gz IHWKEVHWRRLCMJ-AWEZNQCLSA-N -1 1 323.776 3.637 20 0 DHADMM CCN(CCc1cccs1)C(=O)c1c([O-])cccc1Cl ZINC000763688894 1022902030 /nfs/dbraw/zinc/90/20/30/1022902030.db2.gz BGVJTZKGGFXENW-UHFFFAOYSA-N -1 1 309.818 3.812 20 0 DHADMM O=C(c1ncc2ccccc2c1[O-])N1CCC(c2ccco2)CC1 ZINC000617387705 1022937867 /nfs/dbraw/zinc/93/78/67/1022937867.db2.gz LFKIIHKYCOQXPQ-UHFFFAOYSA-N -1 1 322.364 3.553 20 0 DHADMM COc1ccc(-c2nc([C@H]3CCCc4ccccc43)no2)c([O-])c1 ZINC000324784483 1022967338 /nfs/dbraw/zinc/96/73/38/1022967338.db2.gz HSJKJYJOLROSFT-HNNXBMFYSA-N -1 1 322.364 3.919 20 0 DHADMM CSC[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000294581430 1022982345 /nfs/dbraw/zinc/98/23/45/1022982345.db2.gz HRZLRVJWHHFWHO-CYBMUJFWSA-N -1 1 315.438 3.761 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCC1=CCCCCC1 ZINC000768550396 1022988085 /nfs/dbraw/zinc/98/80/85/1022988085.db2.gz CUJKHIOYJGBKKR-UHFFFAOYSA-N -1 1 317.433 3.624 20 0 DHADMM O=C(/C=C/c1ccc([N+](=O)[O-])cc1Cl)c1ccc([O-])cc1 ZINC000181382239 1023071343 /nfs/dbraw/zinc/07/13/43/1023071343.db2.gz SFVVXLSJEZXSSQ-XBXARRHUSA-N -1 1 303.701 3.850 20 0 DHADMM O=C(/C=C/c1ccc([N+](=O)[O-])cc1Cl)c1cc(O)ccc1[O-] ZINC000181451453 1023102592 /nfs/dbraw/zinc/10/25/92/1023102592.db2.gz MMPIYMQOLIOSGK-GORDUTHDSA-N -1 1 319.700 3.556 20 0 DHADMM C[C@H]1CN(C(=O)c2c([O-])cccc2Cl)Cc2ccccc21 ZINC000769615929 1023187424 /nfs/dbraw/zinc/18/74/24/1023187424.db2.gz RVSUEQZRAVFARE-NSHDSACASA-N -1 1 301.773 3.805 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000769830063 1023224861 /nfs/dbraw/zinc/22/48/61/1023224861.db2.gz CJCAIVYJEXHYNX-HNNXBMFYSA-N -1 1 321.298 3.787 20 0 DHADMM CC[C@](C)(NC(=O)c1c([O-])cccc1Cl)c1nccs1 ZINC000769905970 1023230214 /nfs/dbraw/zinc/23/02/14/1023230214.db2.gz NJBNSGUVGCFWOY-AWEZNQCLSA-N -1 1 310.806 3.557 20 0 DHADMM C[C@@H]1Cc2ccccc2CN1C(=O)c1c([O-])cccc1Cl ZINC000769912295 1023233198 /nfs/dbraw/zinc/23/31/98/1023233198.db2.gz FVHRCUXVXOQDQN-LLVKDONJSA-N -1 1 301.773 3.633 20 0 DHADMM CC(C)[C@H](NC(=O)c1c([O-])cccc1Cl)c1ccccn1 ZINC000769891295 1023241392 /nfs/dbraw/zinc/24/13/92/1023241392.db2.gz XZWJEGDOBZMAEX-HNNXBMFYSA-N -1 1 304.777 3.568 20 0 DHADMM O=C(N[C@H](C1CCCC1)C(F)(F)F)c1c([O-])cccc1Cl ZINC000769966007 1023246192 /nfs/dbraw/zinc/24/61/92/1023246192.db2.gz LHILGORJOLAGRU-GFCCVEGCSA-N -1 1 321.726 3.897 20 0 DHADMM CCN(Cc1nc(-c2ccc([O-])cc2F)no1)c1ccccc1 ZINC000771199539 1023404844 /nfs/dbraw/zinc/40/48/44/1023404844.db2.gz MMZWQYZIFYTDMD-UHFFFAOYSA-N -1 1 313.332 3.608 20 0 DHADMM O=S(=O)([N-]c1cccc(F)c1F)c1ccc(Cl)cc1F ZINC000049375394 1023769900 /nfs/dbraw/zinc/76/99/00/1023769900.db2.gz RUBTZNFVMPUWTF-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1 ZINC000048653018 1023801714 /nfs/dbraw/zinc/80/17/14/1023801714.db2.gz RPUQGNMRULXHIJ-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1F ZINC000048653086 1023802754 /nfs/dbraw/zinc/80/27/54/1023802754.db2.gz KQQYZZPWULJION-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM C[C@H](SCc1ccccc1)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000788159532 1023859401 /nfs/dbraw/zinc/85/94/01/1023859401.db2.gz ZBXQDTHRZVFNOE-JTQLQIEISA-N -1 1 322.817 3.701 20 0 DHADMM CC1(C)COc2c1cccc2C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000788740745 1023933472 /nfs/dbraw/zinc/93/34/72/1023933472.db2.gz DNLIIAJMDVMWED-UHFFFAOYSA-N -1 1 317.772 3.968 20 0 DHADMM CCc1nc(SC[C@H]2CC(C)(C)OC2(C)C)[n-]c(=O)c1C ZINC000882177671 1023986868 /nfs/dbraw/zinc/98/68/68/1023986868.db2.gz UNDGAKQVGJLBAB-LLVKDONJSA-N -1 1 310.463 3.739 20 0 DHADMM CCSc1ccccc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790050466 1024213132 /nfs/dbraw/zinc/21/31/32/1024213132.db2.gz AUBAJWDBPRMLSQ-UHFFFAOYSA-N -1 1 308.790 3.805 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1CCCc2sccc21 ZINC000790051673 1024213159 /nfs/dbraw/zinc/21/31/59/1024213159.db2.gz PPNSOPOLCNJBRU-SECBINFHSA-N -1 1 308.790 3.561 20 0 DHADMM COc1ccc([C@@H](C)CC(=O)Nc2nc(Cl)ccc2[O-])cc1 ZINC000790056972 1024216126 /nfs/dbraw/zinc/21/61/26/1024216126.db2.gz RLWSITJRFLAAOS-JTQLQIEISA-N -1 1 320.776 3.582 20 0 DHADMM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1c([O-])cccc1Cl ZINC000746893194 1024271141 /nfs/dbraw/zinc/27/11/41/1024271141.db2.gz BHRLWDLKXNPVHH-RYUDHWBXSA-N -1 1 303.789 3.968 20 0 DHADMM CC(C)(C)c1nsc([N-]C(=O)c2cc(F)c(F)cc2F)n1 ZINC000269548429 1024289536 /nfs/dbraw/zinc/28/95/36/1024289536.db2.gz MFTWKTMJGKNSKA-UHFFFAOYSA-N -1 1 315.320 3.505 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N(CC(F)(F)F)C1CC1 ZINC000314621692 1024336573 /nfs/dbraw/zinc/33/65/73/1024336573.db2.gz JXLKWFAVTWBTKS-UHFFFAOYSA-N -1 1 309.287 3.712 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(F)c(F)c1F ZINC000094184683 1024394993 /nfs/dbraw/zinc/39/49/93/1024394993.db2.gz IKIJAGXABBTSRG-UHFFFAOYSA-N -1 1 301.651 3.715 20 0 DHADMM C[C@]1(C(=O)[O-])CCCN(Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000317039763 1024423774 /nfs/dbraw/zinc/42/37/74/1024423774.db2.gz URBYAGWGWIIHJY-AWEZNQCLSA-N -1 1 319.298 3.531 20 0 DHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(Cl)cc1 ZINC000339118629 1024571828 /nfs/dbraw/zinc/57/18/28/1024571828.db2.gz AWKAMDSCDBLHQV-UHFFFAOYSA-N -1 1 313.744 3.688 20 0 DHADMM CCCc1cc(=O)[n-]c(SCc2ccc3ccccc3n2)n1 ZINC000007062405 1024590057 /nfs/dbraw/zinc/59/00/57/1024590057.db2.gz JOAMJWIYWZLDGU-UHFFFAOYSA-N -1 1 311.410 3.563 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1csc(-c2cccs2)n1 ZINC000532267161 1024591887 /nfs/dbraw/zinc/59/18/87/1024591887.db2.gz MGOYSCGEQFXVCS-UHFFFAOYSA-N -1 1 320.370 3.969 20 0 DHADMM O=C(OCc1nccs1)c1ccc(Cl)c(Cl)c1[O-] ZINC000747050767 1024603160 /nfs/dbraw/zinc/60/31/60/1024603160.db2.gz PYQIDMWNCQBNDY-UHFFFAOYSA-N -1 1 304.154 3.513 20 0 DHADMM Cc1nc2ccccc2c(SCC(=O)c2ccc([O-])cc2)n1 ZINC000007225446 1024609926 /nfs/dbraw/zinc/60/99/26/1024609926.db2.gz HWQWDRSOHDXNBG-UHFFFAOYSA-N -1 1 310.378 3.619 20 0 DHADMM O=C(NCc1ccc(F)c(F)c1)c1cc2ccccc2cc1[O-] ZINC000390891869 1024614264 /nfs/dbraw/zinc/61/42/64/1024614264.db2.gz ATFFGBPADYQWTK-UHFFFAOYSA-N -1 1 313.303 3.754 20 0 DHADMM Cc1nc2cc(C(=O)Nc3ccc([O-])c(Cl)c3)ccc2o1 ZINC000792258751 1024657182 /nfs/dbraw/zinc/65/71/82/1024657182.db2.gz JDZDVHVBKCJTCF-UHFFFAOYSA-N -1 1 302.717 3.748 20 0 DHADMM CC(C)Cc1nc(C(=O)Nc2ccc([O-])c(Cl)c2)cs1 ZINC000349259726 1024693641 /nfs/dbraw/zinc/69/36/41/1024693641.db2.gz XZQSMURAPKLUKV-UHFFFAOYSA-N -1 1 310.806 3.953 20 0 DHADMM O=c1nc2nc[nH]c2c(Nc2ccc(-c3ccccc3F)cc2)[n-]1 ZINC001170230397 1024713760 /nfs/dbraw/zinc/71/37/60/1024713760.db2.gz RTYJOWFTXLIQDQ-UHFFFAOYSA-N -1 1 321.315 3.608 20 0 DHADMM Cc1ccc(-c2ccccc2)cc1Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001170229994 1024714898 /nfs/dbraw/zinc/71/48/98/1024714898.db2.gz JCBXNUMVICBBAQ-UHFFFAOYSA-N -1 1 317.352 3.778 20 0 DHADMM O=C(NCc1ccsc1C(F)(F)F)c1cc(F)ccc1[O-] ZINC001170310618 1024740168 /nfs/dbraw/zinc/74/01/68/1024740168.db2.gz KHNWTLFCYWIDED-UHFFFAOYSA-N -1 1 319.279 3.542 20 0 DHADMM COc1cc(C(=O)N2CC(C)(C)[C@@H]2C(C)C)cc(Cl)c1[O-] ZINC000350716654 1024843214 /nfs/dbraw/zinc/84/32/14/1024843214.db2.gz XFPTYJOPXXGJIN-AWEZNQCLSA-N -1 1 311.809 3.561 20 0 DHADMM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2cccc(Cl)c2Cl)C1 ZINC000263316959 1024917232 /nfs/dbraw/zinc/91/72/32/1024917232.db2.gz IWFPNUOISONLGS-KOLCDFICSA-N -1 1 302.201 3.536 20 0 DHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1CCCC2(CC2)C1 ZINC000666315166 1024939486 /nfs/dbraw/zinc/93/94/86/1024939486.db2.gz UBCXCYZSJRHHRM-CYBMUJFWSA-N -1 1 311.385 3.691 20 0 DHADMM O=C([O-])[C@H]1CCCC[N@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000263386618 1024955239 /nfs/dbraw/zinc/95/52/39/1024955239.db2.gz DBVPNOHEYZAXEN-MRXNPFEDSA-N -1 1 301.411 3.854 20 0 DHADMM Cc1cc(F)ccc1-c1ccc(CN(CC(=O)[O-])C(C)C)o1 ZINC000263512424 1025065423 /nfs/dbraw/zinc/06/54/23/1025065423.db2.gz NUXFLMDKKXQFRL-UHFFFAOYSA-N -1 1 305.349 3.689 20 0 DHADMM COc1ccccc1C(C)(C)C(=O)Nc1ccc([O-])c(F)c1F ZINC001157805994 1025139518 /nfs/dbraw/zinc/13/95/18/1025139518.db2.gz TXMUFGPDBKLPFS-UHFFFAOYSA-N -1 1 321.323 3.595 20 0 DHADMM CCOC(=O)c1c(C)cc(-c2ccc(Cl)c([O-])c2)nc1C ZINC001243577035 1025157827 /nfs/dbraw/zinc/15/78/27/1025157827.db2.gz ZBXPHLZXCSCGGE-UHFFFAOYSA-N -1 1 305.761 3.901 20 0 DHADMM O=C([N-]c1nnc(C2CCCCC2)s1)c1cc(C2CC2)on1 ZINC000793907248 1025190101 /nfs/dbraw/zinc/19/01/01/1025190101.db2.gz ICUUKUVSWXDPBH-UHFFFAOYSA-N -1 1 318.402 3.704 20 0 DHADMM Cc1nc(-c2ccc(NC[C@@H]3C[C@@H]3[C@@H]3C[C@@H]3C)nc2)[n-]c(=O)c1C ZINC000884649506 1025208113 /nfs/dbraw/zinc/20/81/13/1025208113.db2.gz FUPFDVXDJBDFMA-LTTZEQNMSA-N -1 1 324.428 3.565 20 0 DHADMM COc1ccc(/C=C\C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000216431619 1025253354 /nfs/dbraw/zinc/25/33/54/1025253354.db2.gz CMUAHLFTVVRDNE-WTKPLQERSA-N -1 1 303.745 3.706 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC[C@H](C(C)(C)C)C1 ZINC000794341505 1025255672 /nfs/dbraw/zinc/25/56/72/1025255672.db2.gz JOTCYDNDBVYQHH-ZDUSSCGKSA-N -1 1 319.449 3.512 20 0 DHADMM O=C(Cc1ccc([O-])c(Cl)c1)N1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000885217460 1025283341 /nfs/dbraw/zinc/28/33/41/1025283341.db2.gz DQJKJBYFMJPIAM-GDBMZVCRSA-N -1 1 319.832 3.625 20 0 DHADMM O=C(NCC1(C2CCC2)CCC1)c1ncc2ccccc2c1[O-] ZINC001625979520 1025312934 /nfs/dbraw/zinc/31/29/34/1025312934.db2.gz BQEJCLAXBVLXJY-UHFFFAOYSA-N -1 1 310.397 3.641 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)C1=NO[C@@H](c2ccccc2)C1 ZINC000135906777 1025324562 /nfs/dbraw/zinc/32/45/62/1025324562.db2.gz PGDIPXAUOPFPJP-OAHLLOKOSA-N -1 1 316.744 3.502 20 0 DHADMM Cc1ccc(CN(C(=O)c2ncc3ccccc3c2[O-])C2CC2)o1 ZINC000666637870 1025325016 /nfs/dbraw/zinc/32/50/16/1025325016.db2.gz NQQBJDVLODJKRP-UHFFFAOYSA-N -1 1 322.364 3.647 20 0 DHADMM O=C([N-]C(c1ccccc1)c1ccccc1)C(F)(F)C(F)F ZINC000319334939 1025325809 /nfs/dbraw/zinc/32/58/09/1025325809.db2.gz ILFUTGLVJSFQOH-UHFFFAOYSA-N -1 1 311.278 3.793 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1cc2c([nH]1)CCCC2 ZINC000885678259 1025381003 /nfs/dbraw/zinc/38/10/03/1025381003.db2.gz LESYPDBTUVDMLA-UHFFFAOYSA-N -1 1 308.740 3.644 20 0 DHADMM C[C@H]1CCCc2ncc(C(=O)Nc3cc(F)c([O-])cc3Cl)n21 ZINC000885680169 1025381099 /nfs/dbraw/zinc/38/10/99/1025381099.db2.gz NBFDKWLZIGRDGQ-QMMMGPOBSA-N -1 1 323.755 3.531 20 0 DHADMM CCO[C@@H](C(=O)Nc1cc(F)c([O-])cc1Cl)C1CCCC1 ZINC000885680770 1025382480 /nfs/dbraw/zinc/38/24/80/1025382480.db2.gz YSBBQPUOMDCYTC-CQSZACIVSA-N -1 1 315.772 3.719 20 0 DHADMM C[C@@H](CC1CCCCC1)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129759756 1025410641 /nfs/dbraw/zinc/41/06/41/1025410641.db2.gz RPYAGXZIOSTDAZ-LBPRGKRZSA-N -1 1 317.433 3.606 20 0 DHADMM CCC1([N-]S(=O)(=O)c2cc(Cl)ccc2F)CCCCC1 ZINC001211920022 1025456072 /nfs/dbraw/zinc/45/60/72/1025456072.db2.gz RBGJBNQIAWHVEN-UHFFFAOYSA-N -1 1 319.829 3.870 20 0 DHADMM O=C(Nc1ccc2nc(C3CC3)oc2c1)c1ccc(F)c([O-])c1 ZINC001137225544 1025468037 /nfs/dbraw/zinc/46/80/37/1025468037.db2.gz SWNPDIGNQQZAKS-UHFFFAOYSA-N -1 1 312.300 3.802 20 0 DHADMM COc1nccc(Nc2cc([O-])c(Cl)cc2F)c1Cl ZINC001211950392 1025782624 /nfs/dbraw/zinc/78/26/24/1025782624.db2.gz ZQKSPQHRULYZLD-UHFFFAOYSA-N -1 1 303.120 3.985 20 0 DHADMM O=S(=O)([N-]C1CCC2(CC2)CC1)c1cc2cc(F)ccc2o1 ZINC001211769493 1025969841 /nfs/dbraw/zinc/96/98/41/1025969841.db2.gz VQQLYETXMGECEL-UHFFFAOYSA-N -1 1 323.389 3.573 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC[C@H]1CCCC[C@H]1C ZINC000747396119 1026062297 /nfs/dbraw/zinc/06/22/97/1026062297.db2.gz VYGYYNGHMDBYLA-TZMCWYRMSA-N -1 1 319.449 3.560 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC1CCC(C)(C)CC1 ZINC000760001565 1026205617 /nfs/dbraw/zinc/20/56/17/1026205617.db2.gz SOMWKGQJJHMJHL-UHFFFAOYSA-N -1 1 319.449 3.560 20 0 DHADMM O=C([N-]c1cccc(Cl)c1SC(F)F)c1cocn1 ZINC000729358397 1026430119 /nfs/dbraw/zinc/43/01/19/1026430119.db2.gz DATKNWCDEUFPOD-UHFFFAOYSA-N -1 1 304.705 3.895 20 0 DHADMM Cc1cc(C(=O)Nc2c(C)[n-][nH]c2=O)c(C)n1C1CCCCC1 ZINC000647815703 1026509513 /nfs/dbraw/zinc/50/95/13/1026509513.db2.gz HXUWZBLASXUIKU-UHFFFAOYSA-N -1 1 316.405 3.600 20 0 DHADMM O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2)C1)c1ccc([O-])cc1F ZINC000280232890 1026617631 /nfs/dbraw/zinc/61/76/31/1026617631.db2.gz OLWFUVHLUNEJRV-TZMCWYRMSA-N -1 1 317.335 3.737 20 0 DHADMM O=c1cc(C(F)F)nc(SCc2ccc(CF)cc2)[n-]1 ZINC000809986631 1026654114 /nfs/dbraw/zinc/65/41/14/1026654114.db2.gz LRRMBIJOEWXOHM-UHFFFAOYSA-N -1 1 300.305 3.882 20 0 DHADMM Nc1ccc(F)c(Nc2ccc(F)c(Br)c2[O-])c1 ZINC001211840141 1026788012 /nfs/dbraw/zinc/78/80/12/1026788012.db2.gz UCYFIQDAYBLZQE-UHFFFAOYSA-N -1 1 315.117 3.759 20 0 DHADMM CCCc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)nc2C)cc1 ZINC000414452597 1026808671 /nfs/dbraw/zinc/80/86/71/1026808671.db2.gz APURUOFTJMHTBO-UHFFFAOYSA-N -1 1 318.442 3.760 20 0 DHADMM Cc1ncccc1COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000811116357 1026939185 /nfs/dbraw/zinc/93/91/85/1026939185.db2.gz LJMUYNUBIIGGOC-UHFFFAOYSA-N -1 1 312.152 3.759 20 0 DHADMM Cc1c(Cl)nccc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000811836375 1027096498 /nfs/dbraw/zinc/09/64/98/1027096498.db2.gz QRJAXWPBIUFFKL-UHFFFAOYSA-N -1 1 324.833 3.968 20 0 DHADMM COc1c(Cl)cccc1[N-]S(=O)(=O)C1=CCCCC1 ZINC000295397620 1027252417 /nfs/dbraw/zinc/25/24/17/1027252417.db2.gz VVEOYEAINNNYHD-UHFFFAOYSA-N -1 1 301.795 3.548 20 0 DHADMM [O-]c1cccc(CN2CCO[C@@H](c3ccsc3)C2)c1Cl ZINC000295404767 1027258143 /nfs/dbraw/zinc/25/81/43/1027258143.db2.gz RBOBWZLQXZSDAI-CQSZACIVSA-N -1 1 309.818 3.681 20 0 DHADMM C[C@H](C(=O)[N-]OC/C=C\Cl)c1ccccc1C(F)(F)F ZINC000812400528 1027260832 /nfs/dbraw/zinc/26/08/32/1027260832.db2.gz NULLBCCRBULLGE-WYDVEAGSSA-N -1 1 307.699 3.609 20 0 DHADMM CC(C)OCCO[N-]C(=O)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000812808194 1027430951 /nfs/dbraw/zinc/43/09/51/1027430951.db2.gz BFEUJWNZNKHNEI-SNVBAGLBSA-N -1 1 320.216 3.570 20 0 DHADMM CCC[C@H](CC)S(=O)(=O)[N-]c1ccccc1OC(F)F ZINC000576218036 1027585118 /nfs/dbraw/zinc/58/51/18/1027585118.db2.gz ZLUYWWDZWCZFBN-JTQLQIEISA-N -1 1 307.362 3.608 20 0 DHADMM C/C=C\c1ccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)cc1 ZINC000576216089 1027585797 /nfs/dbraw/zinc/58/57/97/1027585797.db2.gz VTNWCHJDBFEKSW-HYXAFXHYSA-N -1 1 315.394 3.723 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1c1cccnc1 ZINC000363495934 1027654013 /nfs/dbraw/zinc/65/40/13/1027654013.db2.gz KEANHFFNLFSWER-GOSISDBHSA-N -1 1 318.376 3.918 20 0 DHADMM Cc1cc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)oc1C(=O)[O-] ZINC000577404485 1027765182 /nfs/dbraw/zinc/76/51/82/1027765182.db2.gz MCLILHDUWIHUQF-UHFFFAOYSA-N -1 1 315.344 3.715 20 0 DHADMM Cc1cc(CN2CC=C(c3ccc(F)cc3)CC2)oc1C(=O)[O-] ZINC000577404485 1027765199 /nfs/dbraw/zinc/76/51/99/1027765199.db2.gz MCLILHDUWIHUQF-UHFFFAOYSA-N -1 1 315.344 3.715 20 0 DHADMM CCc1nc(S[C@H](C)C(=O)c2cccc(F)c2)[n-]c(=O)c1C ZINC000577627940 1027852608 /nfs/dbraw/zinc/85/26/08/1027852608.db2.gz MJGUASFPRLLGTA-SNVBAGLBSA-N -1 1 320.389 3.556 20 0 DHADMM CC(C)=CCC[C@@H](C)CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000563183467 1027923127 /nfs/dbraw/zinc/92/31/27/1027923127.db2.gz SBGUSEVMWLOQIZ-SECBINFHSA-N -1 1 304.316 3.535 20 0 DHADMM CCc1nc(SC[C@H]2CCC3(CCCC3)O2)[n-]c(=O)c1C ZINC000578381332 1028135449 /nfs/dbraw/zinc/13/54/49/1028135449.db2.gz ULOAGNLHXSHDPV-GFCCVEGCSA-N -1 1 308.447 3.637 20 0 DHADMM CC1(C)C[C@@H](c2nc(-c3ccc([O-])cc3F)no2)C(C)(C)O1 ZINC000528167134 1028149303 /nfs/dbraw/zinc/14/93/03/1028149303.db2.gz JBUQLITUZVYGLD-NSHDSACASA-N -1 1 306.337 3.642 20 0 DHADMM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000528166375 1028149483 /nfs/dbraw/zinc/14/94/83/1028149483.db2.gz DTOCQPVBYXCBMA-LOKDSWTASA-N -1 1 308.765 3.623 20 0 DHADMM CC1(C)C[C@H](c2nc(-c3ccc([O-])c(F)c3)no2)C(C)(C)O1 ZINC000528167937 1028149649 /nfs/dbraw/zinc/14/96/49/1028149649.db2.gz FRNLVQDJIBPPDP-SNVBAGLBSA-N -1 1 306.337 3.642 20 0 DHADMM CC(=O)N(C)c1ccc(NCc2cccc([O-])c2Cl)cc1 ZINC000815126851 1028368450 /nfs/dbraw/zinc/36/84/50/1028368450.db2.gz GWLZAXPMJJDZMD-UHFFFAOYSA-N -1 1 304.777 3.640 20 0 DHADMM CCCc1nc(C)c(NC(=O)c2c(F)ccc([O-])c2F)s1 ZINC000579291502 1028372371 /nfs/dbraw/zinc/37/23/71/1028372371.db2.gz SMFSXPPIEPGQOO-UHFFFAOYSA-N -1 1 312.341 3.640 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc(Cl)cc1Cl ZINC000188363123 1028509886 /nfs/dbraw/zinc/50/98/86/1028509886.db2.gz AACWQYANFXGDEC-UHFFFAOYSA-N -1 1 317.559 4.000 20 0 DHADMM Cc1oc(CN(C)[C@@H]2CCCc3ccc(F)cc32)cc1C(=O)[O-] ZINC000567241613 1028860079 /nfs/dbraw/zinc/86/00/79/1028860079.db2.gz BGVHUHGMJUUNPA-QGZVFWFLSA-N -1 1 317.360 3.935 20 0 DHADMM CCOCC1(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CC1 ZINC000628233406 1028952676 /nfs/dbraw/zinc/95/26/76/1028952676.db2.gz ALMHOONYFGIMEO-UHFFFAOYSA-N -1 1 319.788 3.954 20 0 DHADMM O=C(Nc1ccc(Br)cc1)c1ccc(F)c([O-])c1 ZINC001135660841 1028989711 /nfs/dbraw/zinc/98/97/11/1028989711.db2.gz BQYVJVDCIRCPNL-UHFFFAOYSA-N -1 1 310.122 3.546 20 0 DHADMM O=C(Cc1ccc([O-])c(Cl)c1)Nc1nc2ccccc2s1 ZINC001135899679 1029140486 /nfs/dbraw/zinc/14/04/86/1029140486.db2.gz RRLNBXKMACFPTB-UHFFFAOYSA-N -1 1 318.785 3.837 20 0 DHADMM C[C@@H](c1ccccc1)N(C)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC001135911480 1029148093 /nfs/dbraw/zinc/14/80/93/1029148093.db2.gz KSXJQSWPVRZJBR-LBPRGKRZSA-N -1 1 324.355 3.913 20 0 DHADMM O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(F)c([O-])c1 ZINC001136005013 1029254677 /nfs/dbraw/zinc/25/46/77/1029254677.db2.gz DVLDXVVZXQRQPO-UHFFFAOYSA-N -1 1 314.341 3.907 20 0 DHADMM CCOc1cc(C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)cc(Cl)c1[O-] ZINC000529588189 1029440552 /nfs/dbraw/zinc/44/05/52/1029440552.db2.gz VQGRPZLMGSRFME-UTUOFQBUSA-N -1 1 323.820 3.610 20 0 DHADMM CCN(C(=O)Cc1ccc([O-])c(Cl)c1)c1cccc(C)c1 ZINC001136170013 1029440901 /nfs/dbraw/zinc/44/09/01/1029440901.db2.gz KTFJXWITTXIMTL-UHFFFAOYSA-N -1 1 303.789 3.950 20 0 DHADMM CCc1noc(C)c1[N-]C(=O)c1c(C)onc1-c1ccccc1 ZINC000120937156 1029448845 /nfs/dbraw/zinc/44/88/45/1029448845.db2.gz HEXIBHQKIJZAIQ-UHFFFAOYSA-N -1 1 311.341 3.761 20 0 DHADMM Cc1ccc([C@@H](C)NC(=O)Cc2ccc([O-])c(Cl)c2)cc1 ZINC001136178352 1029452152 /nfs/dbraw/zinc/45/21/52/1029452152.db2.gz SXNBBETZEQMTQN-GFCCVEGCSA-N -1 1 303.789 3.774 20 0 DHADMM CO[C@@H](C)c1nc(=N[C@H]2CCCC[C@H]2CC(F)(F)F)s[n-]1 ZINC000450662794 1029600486 /nfs/dbraw/zinc/60/04/86/1029600486.db2.gz QPKKWXBCQHBXRE-GUBZILKMSA-N -1 1 323.384 3.591 20 0 DHADMM COc1ccc(F)cc1[C@H](C)NC(=O)c1cc(Cl)ccc1[O-] ZINC001136283823 1029632466 /nfs/dbraw/zinc/63/24/66/1029632466.db2.gz PFBSLJJTQCKSQO-VIFPVBQESA-N -1 1 323.751 3.684 20 0 DHADMM CON(C(=O)c1ccc([O-])cc1F)[C@@H](C)c1ccccc1C ZINC000820032331 1029646915 /nfs/dbraw/zinc/64/69/15/1029646915.db2.gz CTLISCBVMVSRSP-LBPRGKRZSA-N -1 1 303.333 3.605 20 0 DHADMM O=c1cc(C(F)(F)F)nc(SC[C@H]2CCCC2(F)F)[n-]1 ZINC000450833997 1029696284 /nfs/dbraw/zinc/69/62/84/1029696284.db2.gz CIKWHCZXXCMLGM-ZCFIWIBFSA-N -1 1 314.279 3.729 20 0 DHADMM CCCCc1nc(CN2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)cs1 ZINC000530172797 1029773127 /nfs/dbraw/zinc/77/31/27/1029773127.db2.gz AOMJMNJGEWLLLU-CLLJXQQHSA-N -1 1 310.463 3.559 20 0 DHADMM CC(C)CCc1nc(CN2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)cs1 ZINC000530172814 1029773775 /nfs/dbraw/zinc/77/37/75/1029773775.db2.gz AVCALVJEYKBRPF-BTTYYORXSA-N -1 1 324.490 3.805 20 0 DHADMM COc1cnc(C=Cc2ccccc2OC2CCCC2)[n-]c1=O ZINC000821008626 1029804926 /nfs/dbraw/zinc/80/49/26/1029804926.db2.gz RJINAAYQKWMPSL-ZHACJKMWSA-N -1 1 312.369 3.683 20 0 DHADMM COc1cnc(C=Cc2csc(-c3ccsc3)n2)[n-]c1=O ZINC000821012439 1029806565 /nfs/dbraw/zinc/80/65/65/1029806565.db2.gz JNGAOXKFBHLURI-IHWYPQMZSA-N -1 1 317.395 3.546 20 0 DHADMM CC(C)Cn1ccc2cc(NC(=O)c3ccc(O)cc3[O-])ccc21 ZINC001136419679 1029817407 /nfs/dbraw/zinc/81/74/07/1029817407.db2.gz NBJWKCNDBLZYKQ-UHFFFAOYSA-N -1 1 324.380 3.961 20 0 DHADMM CCOc1ccccc1[C@@H](CC)NC(=O)c1ccc(F)c([O-])c1 ZINC001136504752 1029876110 /nfs/dbraw/zinc/87/61/10/1029876110.db2.gz NETSZITVVLKOPO-OAHLLOKOSA-N -1 1 317.360 3.811 20 0 DHADMM CCOc1ccccc1[C@H](CC)NC(=O)c1cc(F)ccc1[O-] ZINC001136504732 1029876619 /nfs/dbraw/zinc/87/66/19/1029876619.db2.gz MJONVKJZDPBZTI-HNNXBMFYSA-N -1 1 317.360 3.811 20 0 DHADMM O=C(C[C@@H]1C[C@H]1Cc1ccccc1)Nc1ccc([O-])c(F)c1F ZINC000821980178 1029904169 /nfs/dbraw/zinc/90/41/69/1029904169.db2.gz KGFPQRLJVGLMLX-OLZOCXBDSA-N -1 1 317.335 3.878 20 0 DHADMM CCC(CC)(NC(=O)c1ccc([O-])cn1)c1ccc(Cl)cc1 ZINC001136537514 1029939169 /nfs/dbraw/zinc/93/91/69/1029939169.db2.gz MEMKWFGLPHZMHN-UHFFFAOYSA-N -1 1 318.804 3.886 20 0 DHADMM CCCC[C@@H]1CCC[C@@H]1NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001136601560 1030074930 /nfs/dbraw/zinc/07/49/30/1030074930.db2.gz ZDPGQZMFDRDUDW-CJNGLKHVSA-N -1 1 303.402 3.602 20 0 DHADMM CCCC[C@H]1CCC[C@H]1NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001136601562 1030075625 /nfs/dbraw/zinc/07/56/25/1030075625.db2.gz ZDPGQZMFDRDUDW-XJKSGUPXSA-N -1 1 303.402 3.602 20 0 DHADMM O=C(c1cccc([O-])c1F)N(Cc1ccco1)c1ccccc1 ZINC001136612656 1030090576 /nfs/dbraw/zinc/09/05/76/1030090576.db2.gz RFYMCEBGTPUBCW-UHFFFAOYSA-N -1 1 311.312 3.971 20 0 DHADMM O=S(=O)([N-]c1ccc(-c2ccccn2)cc1)c1ccccc1 ZINC000357543138 1030098247 /nfs/dbraw/zinc/09/82/47/1030098247.db2.gz BAZXBDXHJNJATD-UHFFFAOYSA-N -1 1 310.378 3.549 20 0 DHADMM CC(C)(Cc1ccccc1Cl)NC(=O)c1ccc([O-])cc1F ZINC001136644129 1030159157 /nfs/dbraw/zinc/15/91/57/1030159157.db2.gz JKMPOTPFMRPWDJ-UHFFFAOYSA-N -1 1 321.779 3.936 20 0 DHADMM Cc1nc([N-]S(=O)(=O)CCCCF)ccc1-c1ccccc1 ZINC000290904406 1030245392 /nfs/dbraw/zinc/24/53/92/1030245392.db2.gz FTWCMVMALVHCDO-UHFFFAOYSA-N -1 1 322.405 3.548 20 0 DHADMM CCOc1cc(C(=O)N(CC2CC2)CC2CC2)cc(Cl)c1[O-] ZINC000358143004 1030340067 /nfs/dbraw/zinc/34/00/67/1030340067.db2.gz PFVFVJZRYAVYGM-UHFFFAOYSA-N -1 1 323.820 3.707 20 0 DHADMM COc1cc(-c2nc(C3(OC)CCCC3)no2)cc(Cl)c1[O-] ZINC000445382617 1030350196 /nfs/dbraw/zinc/35/01/96/1030350196.db2.gz AWHJOQKEQBWTNJ-UHFFFAOYSA-N -1 1 324.764 3.520 20 0 DHADMM CCC1(Cc2ccccc2)CCN(C(=O)c2ncccc2[O-])CC1 ZINC000358195464 1030373609 /nfs/dbraw/zinc/37/36/09/1030373609.db2.gz YIGKMDVIHKDHCB-UHFFFAOYSA-N -1 1 324.424 3.662 20 0 DHADMM CC[C@H](C)n1ncc(C(=O)Nc2ccc([O-])c(Cl)c2)c1C ZINC000358213944 1030379838 /nfs/dbraw/zinc/37/98/38/1030379838.db2.gz UTSHAJQCDHGNCX-VIFPVBQESA-N -1 1 307.781 3.774 20 0 DHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@H](C)C(C)C)c1 ZINC000825011773 1030685375 /nfs/dbraw/zinc/68/53/75/1030685375.db2.gz WNKWSWGNEIINEN-LLVKDONJSA-N -1 1 302.340 3.630 20 0 DHADMM O=C(c1ccc([O-])cc1F)N(Cc1ccco1)c1ccccc1 ZINC001143799435 1030980830 /nfs/dbraw/zinc/98/08/30/1030980830.db2.gz JTQZYAIRXGGULI-UHFFFAOYSA-N -1 1 311.312 3.971 20 0 DHADMM Cc1ccc2ccccc2c1CS(=O)(=O)c1ccc([O-])cc1 ZINC000359482276 1030989556 /nfs/dbraw/zinc/98/95/56/1030989556.db2.gz LWFFIISQGAINFX-UHFFFAOYSA-N -1 1 312.390 3.828 20 0 DHADMM CCCc1ccccc1[N-]S(=O)(=O)c1cccc(COC)c1 ZINC000171334191 1031020893 /nfs/dbraw/zinc/02/08/93/1031020893.db2.gz VITDWKMZTMYAMQ-UHFFFAOYSA-N -1 1 319.426 3.586 20 0 DHADMM CO[C@H]1CCC[C@@H]1Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000292613357 1031097651 /nfs/dbraw/zinc/09/76/51/1031097651.db2.gz IZDGSRVRXUSWCN-KBPBESRZSA-N -1 1 316.426 3.817 20 0 DHADMM CC1(CC[N-]S(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000359772588 1031133018 /nfs/dbraw/zinc/13/30/18/1031133018.db2.gz XPPYWWAPGQVEFM-UHFFFAOYSA-N -1 1 314.259 3.523 20 0 DHADMM CCN(CC)[C@@H](CN=c1nc(C(C)C)[n-]s1)c1ccsc1 ZINC000559151919 1031139575 /nfs/dbraw/zinc/13/95/75/1031139575.db2.gz ACZPVTNMFDUSRR-ZDUSSCGKSA-N -1 1 324.519 3.640 20 0 DHADMM CCC(CC)(CNC(=O)c1ccc([O-])cc1F)C(F)(F)F ZINC000871262392 1031173606 /nfs/dbraw/zinc/17/36/06/1031173606.db2.gz FOYSDCWWFIHSBO-UHFFFAOYSA-N -1 1 307.287 3.630 20 0 DHADMM CC(C)Sc1cccc(Cl)c1C[N@@H+](C)CCC(=O)[O-] ZINC000263444648 1031196236 /nfs/dbraw/zinc/19/62/36/1031196236.db2.gz XNJCUHMGJPFYDA-UHFFFAOYSA-N -1 1 301.839 3.747 20 0 DHADMM CC(C)Sc1cccc(Cl)c1CN(C)CCC(=O)[O-] ZINC000263444648 1031196242 /nfs/dbraw/zinc/19/62/42/1031196242.db2.gz XNJCUHMGJPFYDA-UHFFFAOYSA-N -1 1 301.839 3.747 20 0 DHADMM Cc1cnc(C(=O)N2CCC[C@@H]2[C@@H](C)c2ccccc2)c([O-])c1 ZINC000928384671 1031294975 /nfs/dbraw/zinc/29/49/75/1031294975.db2.gz LUCWWLWLQJFJII-GOEBONIOSA-N -1 1 310.397 3.504 20 0 DHADMM Cc1nc(C(F)(F)F)sc1C(=O)Nc1ccc(F)cc1[O-] ZINC000360365481 1031399475 /nfs/dbraw/zinc/39/94/75/1031399475.db2.gz PGYWEBBPVSIITE-UHFFFAOYSA-N -1 1 320.267 3.567 20 0 DHADMM CSc1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1C ZINC000536988512 1031484058 /nfs/dbraw/zinc/48/40/58/1031484058.db2.gz DKWNASUMRGYMMD-UHFFFAOYSA-N -1 1 307.440 3.826 20 0 DHADMM Cc1ccoc1CN(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000293829455 1031646597 /nfs/dbraw/zinc/64/65/97/1031646597.db2.gz BFHWYUCALMYTMM-UHFFFAOYSA-N -1 1 313.275 3.585 20 0 DHADMM C[C@@H]1Cc2ccccc2N(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC001144505246 1031652047 /nfs/dbraw/zinc/65/20/47/1031652047.db2.gz HMIWXWYDQDRGMR-GFCCVEGCSA-N -1 1 315.800 3.814 20 0 DHADMM Cc1cccnc1C(F)(F)C(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F ZINC000783837243 1031695221 /nfs/dbraw/zinc/69/52/21/1031695221.db2.gz BVVGTSMWVHAKJK-JTQLQIEISA-N -1 1 324.293 3.575 20 0 DHADMM CC(C)(C)c1coc(NC(=O)Cc2ccc([O-])c(Cl)c2)n1 ZINC000898300979 1032026093 /nfs/dbraw/zinc/02/60/93/1032026093.db2.gz MZEIQFSIXHNSDX-UHFFFAOYSA-N -1 1 308.765 3.512 20 0 DHADMM Cc1cc(F)cc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)c1 ZINC001212690113 1033462045 /nfs/dbraw/zinc/46/20/45/1033462045.db2.gz YNOWMICZOYOEKU-UHFFFAOYSA-N -1 1 312.226 3.593 20 0 DHADMM Cc1cc(F)cc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)c1 ZINC001212690113 1033462052 /nfs/dbraw/zinc/46/20/52/1033462052.db2.gz YNOWMICZOYOEKU-UHFFFAOYSA-N -1 1 312.226 3.593 20 0 DHADMM COc1ccc2cccc(-c3noc(-c4ccncc4[O-])n3)c2c1 ZINC001212722628 1033684864 /nfs/dbraw/zinc/68/48/64/1033684864.db2.gz RKMWTKJZGRANFR-UHFFFAOYSA-N -1 1 319.320 3.666 20 0 DHADMM Cc1cccnc1[C@@H](NC(=O)c1ccc([O-])c(F)c1)C(C)(C)C ZINC000889889445 1033769057 /nfs/dbraw/zinc/76/90/57/1033769057.db2.gz QJGPDGQLHRFOAU-MRXNPFEDSA-N -1 1 316.376 3.752 20 0 DHADMM C[C@@H]1CSCCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000889914264 1033774543 /nfs/dbraw/zinc/77/45/43/1033774543.db2.gz ZDOFEWJPQGVHST-GFCCVEGCSA-N -1 1 301.411 3.513 20 0 DHADMM CC(C)(C)c1ccc(Nc2cc(S(C)(=O)=O)ccc2[O-])cc1 ZINC001173880638 1033965502 /nfs/dbraw/zinc/96/55/02/1033965502.db2.gz NBDKEWNRFNRTJE-UHFFFAOYSA-N -1 1 319.426 3.837 20 0 DHADMM CCN(CC)C(=O)c1ccc(Nc2cc([O-])c(F)c(F)c2)cc1 ZINC001174064664 1034069383 /nfs/dbraw/zinc/06/93/83/1034069383.db2.gz KXSPOMLHQYYDPA-UHFFFAOYSA-N -1 1 320.339 3.896 20 0 DHADMM CC(C)c1c[nH]c(SCc2cc(=O)oc3cc([O-])ccc23)n1 ZINC000863365909 1034077934 /nfs/dbraw/zinc/07/79/34/1034077934.db2.gz MEZQJHPUKXBVMC-UHFFFAOYSA-N -1 1 316.382 3.637 20 0 DHADMM O=c1oc2cc([O-])ccc2cc1Nc1cccc2cnccc21 ZINC001174136687 1034161700 /nfs/dbraw/zinc/16/17/00/1034161700.db2.gz RZQKFXQSOZIFBA-UHFFFAOYSA-N -1 1 304.305 3.790 20 0 DHADMM CC[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1c(C)noc1C ZINC000357383365 1034252357 /nfs/dbraw/zinc/25/23/57/1034252357.db2.gz YAWDWMLPKLPOFW-LLVKDONJSA-N -1 1 308.765 3.783 20 0 DHADMM COCc1cccc(-c2nc(=O)c3c(C)sc(C)c3[n-]2)c1 ZINC000864355422 1034326794 /nfs/dbraw/zinc/32/67/94/1034326794.db2.gz MMKOEBKHGQGJQZ-UHFFFAOYSA-N -1 1 300.383 3.827 20 0 DHADMM O=c1oc2cc([O-])ccc2cc1Nc1ccc2ncsc2c1 ZINC001174365185 1034339643 /nfs/dbraw/zinc/33/96/43/1034339643.db2.gz PHGKHQBMSPYBEL-UHFFFAOYSA-N -1 1 310.334 3.852 20 0 DHADMM COc1ccc(F)c(F)c1Nc1cc2ccc([O-])cc2oc1=O ZINC001174423168 1034371054 /nfs/dbraw/zinc/37/10/54/1034371054.db2.gz YOMQJOHMZDCEPV-UHFFFAOYSA-N -1 1 319.263 3.529 20 0 DHADMM CC(C)=CC[C@H](NCc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC000864527999 1034377365 /nfs/dbraw/zinc/37/73/65/1034377365.db2.gz JJEHHZGYFJAACM-INIZCTEOSA-N -1 1 317.360 3.985 20 0 DHADMM C[C@H]1CN(C(=O)Cc2ccc([O-])c(Cl)c2)Cc2ccccc21 ZINC000864542091 1034382899 /nfs/dbraw/zinc/38/28/99/1034382899.db2.gz BVLPDEOTYXTWFW-LBPRGKRZSA-N -1 1 315.800 3.734 20 0 DHADMM CC(C)(C)OCc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)no1 ZINC000184820299 1034505057 /nfs/dbraw/zinc/50/50/57/1034505057.db2.gz YNCCJLMVCKLSFM-UHFFFAOYSA-N -1 1 324.764 3.601 20 0 DHADMM Nc1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1Cl ZINC001212123874 1034522654 /nfs/dbraw/zinc/52/26/54/1034522654.db2.gz ACOIGKKSKKWIFQ-UHFFFAOYSA-N -1 1 300.749 3.557 20 0 DHADMM O=C(Cc1ccc([O-])c(Cl)c1)Nc1ccnn1C1CCCC1 ZINC000865113774 1034527007 /nfs/dbraw/zinc/52/70/07/1034527007.db2.gz OMXTVIBLEVFKSI-UHFFFAOYSA-N -1 1 319.792 3.538 20 0 DHADMM CCc1cc(=O)[n-]c(SCc2c(Cl)cncc2Cl)n1 ZINC000865363263 1034608386 /nfs/dbraw/zinc/60/83/86/1034608386.db2.gz MDXVEOUUWXZXMC-UHFFFAOYSA-N -1 1 316.213 3.739 20 0 DHADMM CSc1ccc([O-])c(C(=O)Nc2ccc(N(C)C)c(F)c2)c1 ZINC001174904085 1034672048 /nfs/dbraw/zinc/67/20/48/1034672048.db2.gz IFTOWGGYMQLAJE-UHFFFAOYSA-N -1 1 320.389 3.572 20 0 DHADMM CCOc1ccc(F)c(Nc2ccnc(Cl)c2[O-])c1F ZINC001175040396 1034769516 /nfs/dbraw/zinc/76/95/16/1034769516.db2.gz XSUKHCHZGAASBL-UHFFFAOYSA-N -1 1 300.692 3.861 20 0 DHADMM CC(C)(C)n1nccc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000192274951 1034789625 /nfs/dbraw/zinc/78/96/25/1034789625.db2.gz OFHSEYCKTMMKOZ-UHFFFAOYSA-N -1 1 308.769 3.641 20 0 DHADMM Cc1cccc(CSc2nc([O-])cc(=O)n2C2CCCC2)c1 ZINC000192971133 1034823963 /nfs/dbraw/zinc/82/39/63/1034823963.db2.gz QJAQZQKQXOKLNM-UHFFFAOYSA-N -1 1 316.426 3.665 20 0 DHADMM Cc1ccccc1CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000193038931 1034829400 /nfs/dbraw/zinc/82/94/00/1034829400.db2.gz OSHGVBNCQCBFSR-UHFFFAOYSA-N -1 1 316.426 3.665 20 0 DHADMM O=C([O-])c1cc(Cl)ccc1CN1CCC[C@@H]1c1cccnc1 ZINC001142643179 1034860608 /nfs/dbraw/zinc/86/06/08/1034860608.db2.gz JLOPUUQNEHERJD-MRXNPFEDSA-N -1 1 316.788 3.770 20 0 DHADMM O=C([O-])c1cc(Cl)ccc1CN1CCC(C(F)(F)F)CC1 ZINC001142647421 1034916453 /nfs/dbraw/zinc/91/64/53/1034916453.db2.gz WBOWYIUUTBUUQV-UHFFFAOYSA-N -1 1 321.726 3.813 20 0 DHADMM Cc1cc(Br)c(F)cc1NC(=O)c1ccccc1[O-] ZINC000159558795 1035069851 /nfs/dbraw/zinc/06/98/51/1035069851.db2.gz WONFXJKUZOXXBM-UHFFFAOYSA-N -1 1 324.149 3.855 20 0 DHADMM COc1cc(F)c(Nc2cc3ccc([O-])cc3oc2=O)c(F)c1 ZINC001175721557 1035091700 /nfs/dbraw/zinc/09/17/00/1035091700.db2.gz OCQTUZABEHGGOM-UHFFFAOYSA-N -1 1 319.263 3.529 20 0 DHADMM COc1cccc(Nc2cc3ccc([O-])cc3oc2=O)c1Cl ZINC001175893614 1035141645 /nfs/dbraw/zinc/14/16/45/1035141645.db2.gz DNLNLKSFWNIRDC-UHFFFAOYSA-N -1 1 317.728 3.904 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)CCC2CCC2)c1 ZINC000482630555 1035150814 /nfs/dbraw/zinc/15/08/14/1035150814.db2.gz AWMZBFXXFCCUCH-UHFFFAOYSA-N -1 1 312.207 3.982 20 0 DHADMM COc1cccc2[nH]c(Nc3ccc(-n4ccc(=O)[n-]4)cc3)cc21 ZINC001176065714 1035201112 /nfs/dbraw/zinc/20/11/12/1035201112.db2.gz KTUNSEVDIKXIAW-UHFFFAOYSA-N -1 1 320.352 3.811 20 0 DHADMM O=C(OCc1csc(-c2ccoc2)n1)c1ccc([O-])cc1F ZINC000773563352 1035237395 /nfs/dbraw/zinc/23/73/95/1035237395.db2.gz ANENKHCYNVGSEC-UHFFFAOYSA-N -1 1 319.313 3.605 20 0 DHADMM O=c1[nH]cc(Nc2c(F)cc(F)c([O-])c2F)c2ccccc12 ZINC001176664579 1035309090 /nfs/dbraw/zinc/30/90/90/1035309090.db2.gz QQWCKQIXKQGRJT-UHFFFAOYSA-N -1 1 306.243 3.807 20 0 DHADMM COc1cc(Cl)nc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176664741 1035309464 /nfs/dbraw/zinc/30/94/64/1035309464.db2.gz ZPUNXBSYBSXRHY-UHFFFAOYSA-N -1 1 304.655 3.610 20 0 DHADMM CN1CCCc2ccc(Nc3c(F)cc(F)c([O-])c3F)cc21 ZINC001176671688 1035310433 /nfs/dbraw/zinc/31/04/33/1035310433.db2.gz LHTBORCCGLHEPL-UHFFFAOYSA-N -1 1 308.303 3.936 20 0 DHADMM C=CC(=O)Nc1cccc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176672174 1035310615 /nfs/dbraw/zinc/31/06/15/1035310615.db2.gz IFSZLAWZKXEIGD-UHFFFAOYSA-N -1 1 308.259 3.678 20 0 DHADMM COc1c(Nc2c(F)cc(F)c([O-])c2F)ccc(F)c1F ZINC001176674844 1035311419 /nfs/dbraw/zinc/31/14/19/1035311419.db2.gz YDYKBAIUHMDWPG-UHFFFAOYSA-N -1 1 305.202 3.840 20 0 DHADMM COc1cc(Nc2c(F)cc(F)c([O-])c2F)cc(F)c1F ZINC001176674747 1035311794 /nfs/dbraw/zinc/31/17/94/1035311794.db2.gz VCYHAPIFUZEQHC-UHFFFAOYSA-N -1 1 305.202 3.840 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ccc(-c3nnco3)cc2)c1F ZINC001176672485 1035311950 /nfs/dbraw/zinc/31/19/50/1035311950.db2.gz XSZRGEAKFSCYMQ-UHFFFAOYSA-N -1 1 307.231 3.603 20 0 DHADMM COc1cc(Cl)cnc1Nc1c(F)cc(F)c([O-])c1F ZINC001176662836 1035316639 /nfs/dbraw/zinc/31/66/39/1035316639.db2.gz AAPFDVZOCFDTBB-UHFFFAOYSA-N -1 1 304.655 3.610 20 0 DHADMM Cc1cc2c(ncnc2Nc2c(F)cc(F)c([O-])c2F)s1 ZINC001176662373 1035316748 /nfs/dbraw/zinc/31/67/48/1035316748.db2.gz MXVWLYZWGANBJI-UHFFFAOYSA-N -1 1 311.288 3.866 20 0 DHADMM CC(C)(C)c1nsc([N-]c2cccnc2N2CCCC2)n1 ZINC001176744780 1035321921 /nfs/dbraw/zinc/32/19/21/1035321921.db2.gz ZNSBTTWTYFIZHQ-UHFFFAOYSA-N -1 1 303.435 3.574 20 0 DHADMM O=C([O-])[C@@H](NCc1ccc(C(F)(F)F)s1)c1ccsc1 ZINC000904002171 1035337152 /nfs/dbraw/zinc/33/71/52/1035337152.db2.gz OZFFMYRTQQGNHY-JTQLQIEISA-N -1 1 321.345 3.744 20 0 DHADMM C[C@H](CN(C)C(=O)c1ncc2ccccc2c1[O-])C(C)(C)C ZINC001177239203 1035358389 /nfs/dbraw/zinc/35/83/89/1035358389.db2.gz AOEVMCWRIHYPRB-GFCCVEGCSA-N -1 1 300.402 3.695 20 0 DHADMM CC(=O)Nc1ccc(Nc2c(Cl)ccc([O-])c2Cl)cn1 ZINC001249748541 1035367171 /nfs/dbraw/zinc/36/71/71/1035367171.db2.gz CLPZXAQWFUDJJZ-UHFFFAOYSA-N -1 1 312.156 3.796 20 0 DHADMM CC[C@@H]1CCCC[C@H]1C(=O)NCCc1c(F)cc([O-])cc1F ZINC001178784645 1035447190 /nfs/dbraw/zinc/44/71/90/1035447190.db2.gz ABJIQEPBIYBZFG-DGCLKSJQSA-N -1 1 311.372 3.546 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N(Cc1ccoc1)C1CC1 ZINC001179012887 1035461502 /nfs/dbraw/zinc/46/15/02/1035461502.db2.gz QOMVFSSKYGBDFJ-UHFFFAOYSA-N -1 1 307.349 3.943 20 0 DHADMM CCOc1ccccc1CNc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001179307735 1035472481 /nfs/dbraw/zinc/47/24/81/1035472481.db2.gz ARDZLPQNBHJBNP-UHFFFAOYSA-N -1 1 309.369 3.589 20 0 DHADMM O=C(N[C@H]1CCC[C@@H](c2ccccc2)CC1)c1ccc([O-])cn1 ZINC001179334535 1035475357 /nfs/dbraw/zinc/47/53/57/1035475357.db2.gz CXKCLHRQIZMMOX-CVEARBPZSA-N -1 1 310.397 3.634 20 0 DHADMM COc1cnc(C=Cc2cc(C)c(C)cc2OC(F)F)[n-]c1=O ZINC000905077129 1035481054 /nfs/dbraw/zinc/48/10/54/1035481054.db2.gz RLUJYDLORKXLCF-PLNGDYQASA-N -1 1 322.311 3.579 20 0 DHADMM C[C@H]1Cc2cc(C(=O)Nc3cc(F)c([O-])cc3Cl)ccc2O1 ZINC001179659971 1035488062 /nfs/dbraw/zinc/48/80/62/1035488062.db2.gz JJWRSNOBBLWJQL-QMMMGPOBSA-N -1 1 321.735 3.760 20 0 DHADMM C[C@@H](NC(=O)Nc1cc(F)cc(F)c1[O-])c1ccc(F)cc1 ZINC001193152075 1035578236 /nfs/dbraw/zinc/57/82/36/1035578236.db2.gz OYWJNYAEEWMBRY-MRVPVSSYSA-N -1 1 310.275 3.692 20 0 DHADMM Cc1ccc(C)c(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)c1 ZINC000485390991 1035587109 /nfs/dbraw/zinc/58/71/09/1035587109.db2.gz SXGKZHKSIKUKSL-UHFFFAOYSA-N -1 1 319.364 3.510 20 0 DHADMM O=C([O-])c1ccc(CN[C@@H]2CCCc3cccnc32)cc1Cl ZINC000905753088 1035642349 /nfs/dbraw/zinc/64/23/49/1035642349.db2.gz XMCFFBIIYIAVOZ-OAHLLOKOSA-N -1 1 316.788 3.600 20 0 DHADMM CCOc1ccc(F)c([N-]C(=O)c2ccc(Cl)o2)c1F ZINC000535484999 1035657634 /nfs/dbraw/zinc/65/76/34/1035657634.db2.gz YQJQPYWKEPWAKE-UHFFFAOYSA-N -1 1 301.676 3.862 20 0 DHADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccnc(Cl)c2)c1C ZINC000226511650 1035962090 /nfs/dbraw/zinc/96/20/90/1035962090.db2.gz KXPZRGQOKATVBA-UHFFFAOYSA-N -1 1 324.833 3.769 20 0 DHADMM Cn1cc(Nc2cc(Cl)c([O-])cc2F)c(C(F)(F)F)n1 ZINC001250020336 1035978881 /nfs/dbraw/zinc/97/88/81/1035978881.db2.gz QMIYRBSWOWKRTR-UHFFFAOYSA-N -1 1 309.650 3.681 20 0 DHADMM CC[C@H](CC(C)C)C(=O)Nc1nc(Br)ccc1[O-] ZINC001181806559 1035996113 /nfs/dbraw/zinc/99/61/13/1035996113.db2.gz SWVPGDHPEPAXBM-SECBINFHSA-N -1 1 315.211 3.561 20 0 DHADMM CSc1ccc(C)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000540497009 1036084251 /nfs/dbraw/zinc/08/42/51/1036084251.db2.gz IMTGZVHWCAKKFR-UHFFFAOYSA-N -1 1 311.403 3.657 20 0 DHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc3ncoc3c2)c1 ZINC001195111270 1036136369 /nfs/dbraw/zinc/13/63/69/1036136369.db2.gz AMQQIFVCVMKCHY-UHFFFAOYSA-N -1 1 316.382 3.752 20 0 DHADMM Cc1ccc([O-])c(C(=O)N2CCC[C@H]2c2cc3ccccc3[nH]2)n1 ZINC001195324521 1036206010 /nfs/dbraw/zinc/20/60/10/1036206010.db2.gz QAOCZTUDKHJAPR-INIZCTEOSA-N -1 1 321.380 3.554 20 0 DHADMM Cc1ccc([O-])c(C(=O)N(c2ccccc2)c2ccccc2N)n1 ZINC001195325752 1036206330 /nfs/dbraw/zinc/20/63/30/1036206330.db2.gz HQSQZTOKNJSAPK-UHFFFAOYSA-N -1 1 319.364 3.656 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1cc(Cl)c(C)c(Cl)c1 ZINC001195482043 1036265495 /nfs/dbraw/zinc/26/54/95/1036265495.db2.gz DQFMTRNLHSTNAH-UHFFFAOYSA-N -1 1 307.202 3.745 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1ccc(F)c(Cl)c1Cl ZINC001195491409 1036268301 /nfs/dbraw/zinc/26/83/01/1036268301.db2.gz VXSBKZXNBZBUGQ-UHFFFAOYSA-N -1 1 311.165 3.575 20 0 DHADMM O=C(C[C@@H]1CC[C@H]2C[C@H]21)Nc1cccc([O-])c1Br ZINC000908707844 1036485579 /nfs/dbraw/zinc/48/55/79/1036485579.db2.gz LXLGENHQKHPWQX-LPEHRKFASA-N -1 1 310.191 3.529 20 0 DHADMM C[C@@H]1CCCC[C@H]1C(=O)Nc1cccc([O-])c1Br ZINC000908706360 1036487218 /nfs/dbraw/zinc/48/72/18/1036487218.db2.gz AEWDIRMOMNXRJS-NXEZZACHSA-N -1 1 312.207 3.920 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)[C@@H]1C[C@H]1C1CCCC1 ZINC000908707530 1036487270 /nfs/dbraw/zinc/48/72/70/1036487270.db2.gz KFJVZSZLGPLKDV-WDEREUQCSA-N -1 1 324.218 3.920 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)C1CC2(CCC2)C1 ZINC000908706867 1036487362 /nfs/dbraw/zinc/48/73/62/1036487362.db2.gz FMFPAHQQCGBBSU-UHFFFAOYSA-N -1 1 310.191 3.674 20 0 DHADMM CC1(C(=O)Nc2cccc([O-])c2Br)CC(F)(F)C1 ZINC000908716910 1036493095 /nfs/dbraw/zinc/49/30/95/1036493095.db2.gz BXBJMUXTHMQLRF-UHFFFAOYSA-N -1 1 320.133 3.529 20 0 DHADMM Cc1c(C(=O)Nc2ccc(F)cc2[O-])ccn1Cc1ccccc1 ZINC001183054976 1036513728 /nfs/dbraw/zinc/51/37/28/1036513728.db2.gz XWJIIKYLIMOVEJ-UHFFFAOYSA-N -1 1 324.355 3.942 20 0 DHADMM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1nc(Cl)ccc1[O-] ZINC001183210079 1036550100 /nfs/dbraw/zinc/55/01/00/1036550100.db2.gz QLPIYCYITKAVTF-JTQLQIEISA-N -1 1 322.767 3.787 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1cnc2c(c1)CCCC2 ZINC000487242868 1036606429 /nfs/dbraw/zinc/60/64/29/1036606429.db2.gz QYAGUEXYCTZJMK-UHFFFAOYSA-N -1 1 317.776 3.963 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000909975384 1036727585 /nfs/dbraw/zinc/72/75/85/1036727585.db2.gz PQSYGNFXJYIXAE-HTQZYQBOSA-N -1 1 323.261 3.978 20 0 DHADMM CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909985804 1036727962 /nfs/dbraw/zinc/72/79/62/1036727962.db2.gz PUBGJNPBLBPFSN-BONVTDFDSA-N -1 1 313.344 3.594 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000909975387 1036728324 /nfs/dbraw/zinc/72/83/24/1036728324.db2.gz PQSYGNFXJYIXAE-SFYZADRCSA-N -1 1 323.261 3.978 20 0 DHADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(CSC)cc1 ZINC000488256195 1036922163 /nfs/dbraw/zinc/92/21/63/1036922163.db2.gz AYIBCSXVHGINAW-UHFFFAOYSA-N -1 1 321.467 3.913 20 0 DHADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000910990580 1037023048 /nfs/dbraw/zinc/02/30/48/1037023048.db2.gz ZPLVNHWTWNJVFL-BQBZGAKWSA-N -1 1 309.234 3.588 20 0 DHADMM O=C(Nc1ccc(F)c(F)c1F)Nc1cc(F)c([O-])cc1F ZINC001185330689 1037113607 /nfs/dbraw/zinc/11/36/07/1037113607.db2.gz DESLCRLJXVSDDI-UHFFFAOYSA-N -1 1 318.201 3.732 20 0 DHADMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)ccc1F ZINC001185485229 1037156969 /nfs/dbraw/zinc/15/69/69/1037156969.db2.gz PWRKNLRGEGHTIY-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM Cc1c(C)c([N-]S(=O)(=O)c2cccc(F)c2C)ccc1F ZINC001185836258 1037245347 /nfs/dbraw/zinc/24/53/47/1037245347.db2.gz LGBAXPKERADWMP-UHFFFAOYSA-N -1 1 311.353 3.691 20 0 DHADMM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2C)cc(C)c1C ZINC001185829231 1037245947 /nfs/dbraw/zinc/24/59/47/1037245947.db2.gz PBMNTEGGUQOLSN-UHFFFAOYSA-N -1 1 307.390 3.860 20 0 DHADMM O=C(Nc1c(Cl)ccc2ncccc21)c1ccc([O-])cc1F ZINC001186328814 1037359618 /nfs/dbraw/zinc/35/96/18/1037359618.db2.gz KZTKNEDYXQTXRN-UHFFFAOYSA-N -1 1 316.719 3.985 20 0 DHADMM Cc1cc(F)c(S(=O)(=O)[N-]C2(C)CCC(C)CC2)c(F)c1 ZINC001186369632 1037375243 /nfs/dbraw/zinc/37/52/43/1037375243.db2.gz VDOJLCSJYJMINO-UHFFFAOYSA-N -1 1 317.401 3.520 20 0 DHADMM O=C(NC1CCC(c2ccccc2)CC1)c1ccc([O-])cc1F ZINC001186337182 1037378398 /nfs/dbraw/zinc/37/83/98/1037378398.db2.gz DDIRWMLIELDCIP-UHFFFAOYSA-N -1 1 313.372 3.988 20 0 DHADMM [O-]c1ccc(NC(=S)NC2CCCCCC2)c(F)c1F ZINC001199969446 1037389792 /nfs/dbraw/zinc/38/97/92/1037389792.db2.gz YGFALSWPKQYJSB-UHFFFAOYSA-N -1 1 300.374 3.680 20 0 DHADMM O=C(Nc1ccc2c(c1)C=CCCC2)c1cnc(C2CC2)[n-]c1=O ZINC000912516342 1037422028 /nfs/dbraw/zinc/42/20/28/1037422028.db2.gz UWJFSLRXXYOBHM-UHFFFAOYSA-N -1 1 321.380 3.661 20 0 DHADMM [O-]c1ccc(NC(=S)Nc2ccc(F)cc2F)c(F)c1F ZINC001200930499 1037469904 /nfs/dbraw/zinc/46/99/04/1037469904.db2.gz UWRIGHXJDRMGQZ-UHFFFAOYSA-N -1 1 316.279 3.758 20 0 DHADMM CCc1ccccc1NC(=S)Nc1cc(Cl)ncc1[O-] ZINC001201140423 1037540317 /nfs/dbraw/zinc/54/03/17/1037540317.db2.gz WPMFBLORZKNVNV-UHFFFAOYSA-N -1 1 307.806 3.812 20 0 DHADMM O=S(=O)([N-][C@@H]1C=CCCC1)c1cc(Cl)c(Cl)cc1F ZINC001201286676 1037584201 /nfs/dbraw/zinc/58/42/01/1037584201.db2.gz YLCOMRGWVMIJNJ-MRVPVSSYSA-N -1 1 324.204 3.520 20 0 DHADMM Cc1cc(F)c(S(=O)(=O)[N-]C2CCC(C)(C)CC2)c(F)c1 ZINC001187361979 1037620504 /nfs/dbraw/zinc/62/05/04/1037620504.db2.gz GOADTOUIANLMGD-UHFFFAOYSA-N -1 1 317.401 3.520 20 0 DHADMM C[C@H](C(=O)Nc1cc(Cl)c([O-])c2ccccc12)[C@@H]1CCCO1 ZINC000912858131 1037630186 /nfs/dbraw/zinc/63/01/86/1037630186.db2.gz DQQAWOITGZENNR-BONVTDFDSA-N -1 1 319.788 3.952 20 0 DHADMM C[C@@H](C(=O)Nc1cc(Cl)c([O-])c2ccccc12)[C@H]1CCCO1 ZINC000912858132 1037630857 /nfs/dbraw/zinc/63/08/57/1037630857.db2.gz DQQAWOITGZENNR-MEBBXXQBSA-N -1 1 319.788 3.952 20 0 DHADMM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001187383420 1037635276 /nfs/dbraw/zinc/63/52/76/1037635276.db2.gz DMLAEYFLOXQVMK-VHSXEESVSA-N -1 1 307.818 3.582 20 0 DHADMM CCc1ccccc1NC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001187646812 1037675797 /nfs/dbraw/zinc/67/57/97/1037675797.db2.gz HSKLMXJDJBVILE-UHFFFAOYSA-N -1 1 322.368 3.784 20 0 DHADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000037683533 1037836368 /nfs/dbraw/zinc/83/63/68/1037836368.db2.gz MZKIXXYYLGHRHR-UHFFFAOYSA-N -1 1 323.801 3.734 20 0 DHADMM O=C(Nc1ccc(Cl)cc1[O-])N[C@@H]1C[C@H]1c1ccccc1 ZINC001201933522 1037930452 /nfs/dbraw/zinc/93/04/52/1037930452.db2.gz FCNYGGDZOJTFCQ-GXTWGEPZSA-N -1 1 302.761 3.723 20 0 DHADMM O=C(Nc1ccc2c(c1)CCO2)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188587076 1037936876 /nfs/dbraw/zinc/93/68/76/1037936876.db2.gz RFEKESUAPTVPBO-UHFFFAOYSA-N -1 1 323.270 3.598 20 0 DHADMM O=C(Nc1ccc(F)cc1F)Nc1cc(F)c(F)cc1[O-] ZINC001202023023 1037969631 /nfs/dbraw/zinc/96/96/31/1037969631.db2.gz IWJVVLQOZNRLIU-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM [O-]c1cc(F)cc(F)c1Nc1ccc(CO)c(F)c1Cl ZINC001250299743 1038000917 /nfs/dbraw/zinc/00/09/17/1038000917.db2.gz NNXMPNJHHLDNST-UHFFFAOYSA-N -1 1 303.667 3.699 20 0 DHADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2CC)c1 ZINC000126140159 1038037213 /nfs/dbraw/zinc/03/72/13/1038037213.db2.gz VDSMLPANXIKAFY-UHFFFAOYSA-N -1 1 317.410 3.643 20 0 DHADMM COc1ccccc1NC(=O)Nc1cc([O-])c(Cl)cc1F ZINC001202124276 1038047085 /nfs/dbraw/zinc/04/70/85/1038047085.db2.gz AEKBMEZNTLYMAC-UHFFFAOYSA-N -1 1 310.712 3.837 20 0 DHADMM CCC1(C[N-]S(=O)(=O)c2cccc(F)c2F)CCCCC1 ZINC001188979666 1038049643 /nfs/dbraw/zinc/04/96/43/1038049643.db2.gz YOVBIYFMHXEKMT-UHFFFAOYSA-N -1 1 317.401 3.604 20 0 DHADMM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)C[C@@H]1C ZINC001189048192 1038052371 /nfs/dbraw/zinc/05/23/71/1038052371.db2.gz DPPPTZQHVLQKTQ-JFGNBEQYSA-N -1 1 319.829 3.582 20 0 DHADMM Cc1csc([N-]S(=O)(=O)CCc2ccc(Cl)cc2)c1 ZINC001189072997 1038068785 /nfs/dbraw/zinc/06/87/85/1038068785.db2.gz HMZGPSRVWCXWNY-UHFFFAOYSA-N -1 1 315.847 3.694 20 0 DHADMM CC(=O)c1ccccc1[N-]S(=O)(=O)C=Cc1ccc(C)cc1 ZINC000055560652 1038188913 /nfs/dbraw/zinc/18/89/13/1038188913.db2.gz JFFRVGROZOPJAZ-QXMHVHEDSA-N -1 1 315.394 3.610 20 0 DHADMM CN1C(=O)c2cc(Cl)ccc2N[C@@H]1c1ccc([O-])c(Cl)c1 ZINC000067438793 1038223924 /nfs/dbraw/zinc/22/39/24/1038223924.db2.gz CHWCULWURJMNFJ-AWEZNQCLSA-N -1 1 323.179 3.895 20 0 DHADMM Cc1ccc(Oc2ccccc2[N-]S(=O)(=O)CCCF)cc1 ZINC001189910700 1038230817 /nfs/dbraw/zinc/23/08/17/1038230817.db2.gz ADTFZRNAHZGZGL-UHFFFAOYSA-N -1 1 323.389 3.889 20 0 DHADMM CC(C)n1c(C2CCN(C(=O)CC(C)(C)C)CC2)n[n-]c1=S ZINC000068435500 1038340387 /nfs/dbraw/zinc/34/03/87/1038340387.db2.gz YKXCFMYYIUBAKI-UHFFFAOYSA-N -1 1 324.494 3.664 20 0 DHADMM CCCN(Cc1ncccc1[O-])Cc1c(F)cccc1Cl ZINC000572285604 1038363012 /nfs/dbraw/zinc/36/30/12/1038363012.db2.gz WLQOOHZOMFLOHC-UHFFFAOYSA-N -1 1 308.784 3.992 20 0 DHADMM CCC(C)(C)C1CCC(CC(=O)Nc2c(C)[n-][nH]c2=O)CC1 ZINC000615220191 1038442739 /nfs/dbraw/zinc/44/27/39/1038442739.db2.gz DWDYIHXFGNRCIF-UHFFFAOYSA-N -1 1 307.438 3.995 20 0 DHADMM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1c(C)cccc1F ZINC001191822318 1038554265 /nfs/dbraw/zinc/55/42/65/1038554265.db2.gz YXDQCEPFKBYSKK-UHFFFAOYSA-N -1 1 323.389 3.642 20 0 DHADMM CSc1nc(NC(=O)Nc2ccccc2C(C)C)cc(=O)[n-]1 ZINC001192225525 1038613284 /nfs/dbraw/zinc/61/32/84/1038613284.db2.gz BZNTZSHXZROJRX-UHFFFAOYSA-N -1 1 318.402 3.672 20 0 DHADMM CC(C)(C)c1ccc(C(=O)Nc2ncc(Cl)cc2N)c([O-])c1 ZINC001192314236 1038626415 /nfs/dbraw/zinc/62/64/15/1038626415.db2.gz LRJXFWHFCLDGDC-UHFFFAOYSA-N -1 1 319.792 3.573 20 0 DHADMM CC(C)(C)c1ccc(C(=O)Nc2cccc3cnncc32)c([O-])c1 ZINC001192322992 1038629419 /nfs/dbraw/zinc/62/94/19/1038629419.db2.gz WGKUCXWVJJGQGX-UHFFFAOYSA-N -1 1 321.380 3.885 20 0 DHADMM Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])c(C)n1C ZINC001192436632 1038658467 /nfs/dbraw/zinc/65/84/67/1038658467.db2.gz IQTDNRBWUJJTOX-UHFFFAOYSA-N -1 1 312.291 3.619 20 0 DHADMM Cc1c(C)c(NC(=O)c2c(F)ccc([O-])c2F)c(C)c(C)c1N ZINC001192540180 1038678150 /nfs/dbraw/zinc/67/81/50/1038678150.db2.gz SALZIBAVYUUSRW-UHFFFAOYSA-N -1 1 320.339 3.739 20 0 DHADMM Cc1cc2ccc(NC(=O)c3cc([O-])cc(F)c3F)cc2[nH]1 ZINC001192670035 1038690690 /nfs/dbraw/zinc/69/06/90/1038690690.db2.gz CREDILCFMCXZAP-UHFFFAOYSA-N -1 1 302.280 3.712 20 0 DHADMM O=C(Nc1cc2ccccc2cc1O)c1cc([O-])cc(F)c1F ZINC001192665726 1038693185 /nfs/dbraw/zinc/69/31/85/1038693185.db2.gz VAAWEJWRRKLYOO-UHFFFAOYSA-N -1 1 315.275 3.782 20 0 DHADMM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(C)c2F)c1 ZINC001192805880 1038701918 /nfs/dbraw/zinc/70/19/18/1038701918.db2.gz TUOLCOFHRNZMHK-UHFFFAOYSA-N -1 1 323.389 3.506 20 0 DHADMM CC(C)c1cnc([N-]C(=O)c2ocnc2C(F)(F)F)s1 ZINC000635611670 1038885921 /nfs/dbraw/zinc/88/59/21/1038885921.db2.gz ASSATUQUSBQCLD-UHFFFAOYSA-N -1 1 305.281 3.526 20 0 DHADMM CCCc1ccc([N-]S(=O)(=O)c2cccc(COC)c2)cc1 ZINC000171331201 1039442858 /nfs/dbraw/zinc/44/28/58/1039442858.db2.gz QPXZRNXQBPMKMC-UHFFFAOYSA-N -1 1 319.426 3.586 20 0 DHADMM C[C@H](Oc1ccccc1Cl)C(=O)Nc1c([O-])cccc1F ZINC000605438433 1039682682 /nfs/dbraw/zinc/68/26/82/1039682682.db2.gz TWPDDIFQCVPNNN-VIFPVBQESA-N -1 1 309.724 3.591 20 0 DHADMM C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000606319074 1039826926 /nfs/dbraw/zinc/82/69/26/1039826926.db2.gz ZSDKMBCVRPGYQU-SNVBAGLBSA-N -1 1 319.763 3.944 20 0 DHADMM CC1(C)CN(Cc2cccc([O-])c2Cl)C[C@H](C(F)(F)F)O1 ZINC000646207254 1039900065 /nfs/dbraw/zinc/90/00/65/1039900065.db2.gz CLVMEZQMFYYFDE-LLVKDONJSA-N -1 1 323.742 3.587 20 0 DHADMM Cc1cccc(C)c1OCCCSc1ncc(C)c(=O)[n-]1 ZINC000574771137 1039933540 /nfs/dbraw/zinc/93/35/40/1039933540.db2.gz SAPZLCYXXZZQQO-UHFFFAOYSA-N -1 1 304.415 3.669 20 0 DHADMM CCc1cccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000607031162 1040071570 /nfs/dbraw/zinc/07/15/70/1040071570.db2.gz JOJRHFWBSSLSGY-UHFFFAOYSA-N -1 1 312.394 3.598 20 0 DHADMM CS[C@H]1CC[C@@H](NC(=O)c2cc3ccccc3cc2[O-])C1 ZINC000231678211 1040381583 /nfs/dbraw/zinc/38/15/83/1040381583.db2.gz RVIJKYQQOHIXDX-KGLIPLIRSA-N -1 1 301.411 3.559 20 0 DHADMM COc1ccc(CCCC(=O)Nc2c([O-])cccc2F)cc1 ZINC000608367456 1040473571 /nfs/dbraw/zinc/47/35/71/1040473571.db2.gz ZMBWFQAOXCQOGO-UHFFFAOYSA-N -1 1 303.333 3.501 20 0 DHADMM Cc1cc(Cl)ccc1OCC(=O)Nc1c([O-])cccc1F ZINC000608365834 1040473739 /nfs/dbraw/zinc/47/37/39/1040473739.db2.gz SDKMAGZHEKQPGU-UHFFFAOYSA-N -1 1 309.724 3.511 20 0 DHADMM CC(C)OCc1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000608365375 1040474593 /nfs/dbraw/zinc/47/45/93/1040474593.db2.gz HRRXIIOUEIYHKV-UHFFFAOYSA-N -1 1 303.333 3.709 20 0 DHADMM CC[C@H](C)Oc1ccc(-c2nc3cccc(F)c3c(=O)[n-]2)cc1 ZINC000601563409 1040689790 /nfs/dbraw/zinc/68/97/90/1040689790.db2.gz FDSFFYTZANDPQC-NSHDSACASA-N -1 1 312.344 3.907 20 0 DHADMM COc1ccc(N(CC2CC2)C(=O)c2ccc([O-])cc2F)cc1 ZINC000456183943 1040728997 /nfs/dbraw/zinc/72/89/97/1040728997.db2.gz VJRQURHNWFIZIQ-UHFFFAOYSA-N -1 1 315.344 3.597 20 0 DHADMM CC(C)n1cc([C@@H](C)NC(=O)c2ccc3ccccc3c2[O-])cn1 ZINC000534270403 1040780799 /nfs/dbraw/zinc/78/07/99/1040780799.db2.gz RZQSTARWQHVQHN-CYBMUJFWSA-N -1 1 323.396 3.814 20 0 DHADMM CCc1c(=O)n(-c2ccc(C(=O)OC)c(Cl)c2)[n-]c1C(C)C ZINC000601946993 1040831932 /nfs/dbraw/zinc/83/19/32/1040831932.db2.gz GYFFBZQFRBJUSL-NSHDSACASA-N -1 1 322.792 3.511 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)c1coc(C2CCCCC2)n1 ZINC000456780253 1040916326 /nfs/dbraw/zinc/91/63/26/1040916326.db2.gz IQVWTFYRRZNFRZ-UHFFFAOYSA-N -1 1 322.311 3.958 20 0 DHADMM C[C@@]1(C(=O)Nc2ccc([O-])c(F)c2F)CCCc2ccccc21 ZINC000456780092 1040916645 /nfs/dbraw/zinc/91/66/45/1040916645.db2.gz BCZZKJJJHZIXKZ-GOSISDBHSA-N -1 1 317.335 3.903 20 0 DHADMM C[C@]1(C(=O)Nc2ccc([O-])c(F)c2F)CCc2ccccc2C1 ZINC000456788651 1040919736 /nfs/dbraw/zinc/91/97/36/1040919736.db2.gz RYZLIYRPVDHHCW-SFHVURJKSA-N -1 1 317.335 3.804 20 0 DHADMM Cc1cnc(C(=O)N2CCC[C@H]2c2ccc(F)cc2C)c([O-])c1 ZINC000456860865 1040946031 /nfs/dbraw/zinc/94/60/31/1040946031.db2.gz WJDLNCRFJVDRMH-HNNXBMFYSA-N -1 1 314.360 3.520 20 0 DHADMM CC1(C)Cc2ccsc2CN1C(=O)c1cc(F)ccc1[O-] ZINC000457321077 1041083555 /nfs/dbraw/zinc/08/35/55/1041083555.db2.gz SDYVSZRNODBFDS-UHFFFAOYSA-N -1 1 305.374 3.570 20 0 DHADMM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cc(F)ccc2[O-])s1 ZINC000091735858 193099569 /nfs/dbraw/zinc/09/95/69/193099569.db2.gz SDQWELVOVGVKEQ-SNVBAGLBSA-N -1 1 322.405 3.692 20 0 DHADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000016101227 182034089 /nfs/dbraw/zinc/03/40/89/182034089.db2.gz KXNMMXLLTZUNLI-UHFFFAOYSA-N -1 1 311.353 3.636 20 0 DHADMM CC(=O)Nc1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000017302532 182082381 /nfs/dbraw/zinc/08/23/81/182082381.db2.gz KJKNHYRLRYJWGH-UHFFFAOYSA-N -1 1 320.348 3.756 20 0 DHADMM O=C([O-])[C@H](NCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000019787880 182148444 /nfs/dbraw/zinc/14/84/44/182148444.db2.gz ATFUCXGTQLWDNC-CQSZACIVSA-N -1 1 310.180 3.909 20 0 DHADMM O=C([O-])[C@H]1C[C@H](NCc2ccsc2Cl)c2ccccc21 ZINC000417637927 335022093 /nfs/dbraw/zinc/02/20/93/335022093.db2.gz ZPSADJXSBXCAAZ-STQMWFEESA-N -1 1 307.802 3.804 20 0 DHADMM CCOc1cc(C(=O)N[C@@H]2CCCC[C@H]2C)cc(Cl)c1[O-] ZINC000192736361 335036144 /nfs/dbraw/zinc/03/61/44/335036144.db2.gz SLRFBKJYTBBWAA-ZWNOBZJWSA-N -1 1 311.809 3.753 20 0 DHADMM C[C@H]1CCCCN1Cc1ccc(C(=O)[O-])cc1Br ZINC000039951959 183023666 /nfs/dbraw/zinc/02/36/66/183023666.db2.gz FLXTZNAJXZWZTA-JTQLQIEISA-N -1 1 312.207 3.522 20 0 DHADMM CCc1cccc(F)c1CNCc1ccc(C(=O)[O-])c(C)c1 ZINC000417670092 335038563 /nfs/dbraw/zinc/03/85/63/335038563.db2.gz OFAMQTQXGMBRBF-UHFFFAOYSA-N -1 1 301.361 3.685 20 0 DHADMM Cc1cnc([C@@H](C)[N-]c2nc(-c3ccc(C)cc3)no2)s1 ZINC000272253951 130013945 /nfs/dbraw/zinc/01/39/45/130013945.db2.gz MAIPMTIAIYILDU-LLVKDONJSA-N -1 1 300.387 3.983 20 0 DHADMM Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000272700354 130056312 /nfs/dbraw/zinc/05/63/12/130056312.db2.gz FKAXNMKHUPAGKM-UHFFFAOYSA-N -1 1 309.316 3.737 20 0 DHADMM O=C([N-]c1c(F)cc(F)cc1F)c1noc2c1CCCCC2 ZINC000275547897 130335884 /nfs/dbraw/zinc/33/58/84/130335884.db2.gz BKHYGJJSICKEOU-UHFFFAOYSA-N -1 1 310.275 3.613 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])C1CCC(C(F)(F)F)CC1 ZINC000278533469 130698890 /nfs/dbraw/zinc/69/88/90/130698890.db2.gz ZGOQLCABFHOXLV-UHFFFAOYSA-N -1 1 305.271 3.839 20 0 DHADMM CCCC(=O)CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000289417442 131384917 /nfs/dbraw/zinc/38/49/17/131384917.db2.gz VSNZSDYJZRGFKF-UHFFFAOYSA-N -1 1 302.399 3.619 20 0 DHADMM CCC(CC)c1nnc([N-]C(=O)c2noc3c2CCCC3)s1 ZINC000299113427 132089131 /nfs/dbraw/zinc/08/91/31/132089131.db2.gz JVARCGVZFCGBBD-UHFFFAOYSA-N -1 1 320.418 3.561 20 0 DHADMM Cc1cc(C(F)F)oc1C(=O)[N-]c1nnc(C(F)F)s1 ZINC000624606822 429936853 /nfs/dbraw/zinc/93/68/53/429936853.db2.gz VUHNNGAVBPSEMT-UHFFFAOYSA-N -1 1 309.244 3.567 20 0 DHADMM CC(C)CCC1CCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000570551443 332772051 /nfs/dbraw/zinc/77/20/51/332772051.db2.gz CFCHSDPKSNKBJO-UHFFFAOYSA-N -1 1 311.372 3.959 20 0 DHADMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cccc(F)c2C)c1 ZINC000174705910 332861030 /nfs/dbraw/zinc/86/10/30/332861030.db2.gz ZEKVECHVOAGOSL-GFCCVEGCSA-N -1 1 323.389 3.642 20 0 DHADMM Cc1ccc(OCc2nc(-c3ccc([O-])c(F)c3)no2)cc1C ZINC000445478477 331463316 /nfs/dbraw/zinc/46/33/16/331463316.db2.gz RBEHXJYXTANMAH-UHFFFAOYSA-N -1 1 314.316 3.777 20 0 DHADMM COc1ccc(-c2nc(-c3ccc(C)c(F)c3)no2)c([O-])c1 ZINC000109036864 331504693 /nfs/dbraw/zinc/50/46/93/331504693.db2.gz BTGVFYSPJGUSOO-UHFFFAOYSA-N -1 1 300.289 3.565 20 0 DHADMM Cc1ccc2nc(-c3ccc4c(c3)CCCCC4=O)[n-]c(=O)c2c1 ZINC000526042119 331576137 /nfs/dbraw/zinc/57/61/37/331576137.db2.gz HGWGICIDDXVOJK-UHFFFAOYSA-N -1 1 318.376 3.808 20 0 DHADMM O=S(=O)([N-]C(C1CCC1)C1CCC1)c1cc2ccccc2o1 ZINC000556823464 331737219 /nfs/dbraw/zinc/73/72/19/331737219.db2.gz KUTIZVDCGSJBNS-UHFFFAOYSA-N -1 1 319.426 3.680 20 0 DHADMM COc1cc(CSc2ncc(C)c(=O)[n-]2)ccc1SC ZINC000569356609 332029758 /nfs/dbraw/zinc/02/97/58/332029758.db2.gz HBJQLLACDULAKQ-UHFFFAOYSA-N -1 1 308.428 3.513 20 0 DHADMM CC[C@H](Cc1ccccc1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000091677381 332079555 /nfs/dbraw/zinc/07/95/55/332079555.db2.gz AXNKWIOTLKEKEA-OAHLLOKOSA-N -1 1 301.361 3.625 20 0 DHADMM CCCOc1cccc(CN[C@H](CC(=O)[O-])c2ccc(C)o2)c1 ZINC000426777189 332135816 /nfs/dbraw/zinc/13/58/16/332135816.db2.gz LGWXTXBYTYCCTA-MRXNPFEDSA-N -1 1 317.385 3.682 20 0 DHADMM Cc1cccc(C2=CCN(C(=O)c3cc(F)ccc3[O-])CC2)c1 ZINC000092695480 332138954 /nfs/dbraw/zinc/13/89/54/332138954.db2.gz KQUNVHBZPFYMQK-UHFFFAOYSA-N -1 1 311.356 3.769 20 0 DHADMM Cc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)c(C)c1 ZINC000426808530 332152145 /nfs/dbraw/zinc/15/21/45/332152145.db2.gz NAFFCXSCFYBLAF-KRWDZBQOSA-N -1 1 319.351 3.887 20 0 DHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2ccc(Cl)c(C)c2)o1 ZINC000426811240 332156697 /nfs/dbraw/zinc/15/66/97/332156697.db2.gz SIWCZJDHTUOXEH-AWEZNQCLSA-N -1 1 307.777 3.855 20 0 DHADMM O=C([O-])CC1CCN(CCc2cc(Cl)cc(Cl)c2)CC1 ZINC000584297038 332227768 /nfs/dbraw/zinc/22/77/68/332227768.db2.gz SQFWSCVDCAHAJV-UHFFFAOYSA-N -1 1 316.228 3.723 20 0 DHADMM C[C@H]1SCCN(Cc2occc2C(=O)[O-])[C@@H]1c1ccccc1 ZINC000566361632 332377944 /nfs/dbraw/zinc/37/79/44/332377944.db2.gz LQNWNFUJIZQERB-WBMJQRKESA-N -1 1 317.410 3.656 20 0 DHADMM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2ncccc2[O-])cc1 ZINC000427465859 332432080 /nfs/dbraw/zinc/43/20/80/332432080.db2.gz JLMOHHIZMAEZTA-KDOFPFPSSA-N -1 1 310.397 3.709 20 0 DHADMM Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)c2ncccc2[O-])cc1 ZINC000427465858 332432204 /nfs/dbraw/zinc/43/22/04/332432204.db2.gz JLMOHHIZMAEZTA-KBXCAEBGSA-N -1 1 310.397 3.709 20 0 DHADMM CCc1cccc(Cl)c1CN[C@@H](CC(=O)[O-])c1ccncc1 ZINC000569941380 332695495 /nfs/dbraw/zinc/69/54/95/332695495.db2.gz LSJDNAZPNWINFA-INIZCTEOSA-N -1 1 318.804 3.603 20 0 DHADMM O=S(=O)([N-]c1ccc(OC2CCCC2)cc1)c1ccsc1 ZINC000570113023 332713579 /nfs/dbraw/zinc/71/35/79/332713579.db2.gz FAKMDSNOAPZMMU-UHFFFAOYSA-N -1 1 323.439 3.870 20 0 DHADMM CCN(Cc1ccccn1)C(=O)c1cc2ccccc2cc1[O-] ZINC000177666654 332995113 /nfs/dbraw/zinc/99/51/13/332995113.db2.gz LDZJQTMMOVFBJQ-UHFFFAOYSA-N -1 1 306.365 3.603 20 0 DHADMM C[C@@H]1c2cccn2CCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000179386247 333025353 /nfs/dbraw/zinc/02/53/53/333025353.db2.gz IWUMIZIMSGDWNB-CYBMUJFWSA-N -1 1 306.365 3.564 20 0 DHADMM C[C@H]1CC[C@H](C)N(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000180628994 333029026 /nfs/dbraw/zinc/02/90/26/333029026.db2.gz WCSNLUZLNWSCRD-UWVGGRQHSA-N -1 1 301.308 3.672 20 0 DHADMM CCN(Cc1ccc(Cl)s1)C(=O)c1ccc([O-])cc1F ZINC000181097594 333029435 /nfs/dbraw/zinc/02/94/35/333029435.db2.gz IKDCACCJIXLHSG-UHFFFAOYSA-N -1 1 313.781 3.909 20 0 DHADMM CCC(CC)n1nccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182870624 333047730 /nfs/dbraw/zinc/04/77/30/333047730.db2.gz ZELCAIKEPSAQFD-UHFFFAOYSA-N -1 1 307.781 3.856 20 0 DHADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000460436580 333086944 /nfs/dbraw/zinc/08/69/44/333086944.db2.gz KQBYLGNATONAJX-UHFFFAOYSA-N -1 1 307.390 3.924 20 0 DHADMM CC[C@H]1CC[C@H](C)N1C(=O)c1cc(Br)ccc1[O-] ZINC000221483120 333159126 /nfs/dbraw/zinc/15/91/26/333159126.db2.gz GYKKSFJPTLAFKL-ONGXEEELSA-N -1 1 312.207 3.558 20 0 DHADMM CC[C@H](C)Oc1cccc(NC(=O)c2ccc([O-])cc2F)c1 ZINC000318658866 333198883 /nfs/dbraw/zinc/19/88/83/333198883.db2.gz BXEAPOGBRYSSPI-NSHDSACASA-N -1 1 303.333 3.961 20 0 DHADMM CCOc1cc(C(=O)N(C)Cc2ccoc2C)cc(Cl)c1[O-] ZINC000186686330 333221787 /nfs/dbraw/zinc/22/17/87/333221787.db2.gz IEKJRJWSMNSVJS-UHFFFAOYSA-N -1 1 323.776 3.618 20 0 DHADMM CC(C)c1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)[nH]n1 ZINC000319143505 333264453 /nfs/dbraw/zinc/26/44/53/333264453.db2.gz KGHWIEVSRSUVRZ-UHFFFAOYSA-N -1 1 321.446 3.631 20 0 DHADMM O=C(NC1CCC(F)(F)CC1)c1ccc2ccccc2c1[O-] ZINC000390507859 333287428 /nfs/dbraw/zinc/28/74/28/333287428.db2.gz QKHZXFOOUMJGCN-UHFFFAOYSA-N -1 1 305.324 3.853 20 0 DHADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000120523183 333289978 /nfs/dbraw/zinc/28/99/78/333289978.db2.gz GTFJNHIERRBGND-GWCFXTLKSA-N -1 1 324.218 3.559 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1CCCc2ccccc2C1 ZINC000062946116 333349746 /nfs/dbraw/zinc/34/97/46/333349746.db2.gz BFDBIBVZENDRLF-UHFFFAOYSA-N -1 1 301.773 3.634 20 0 DHADMM COc1cc(C)cc([N-]S(=O)(=O)c2cc(C)ccc2C)c1C ZINC000447262161 333524706 /nfs/dbraw/zinc/52/47/06/333524706.db2.gz CKELHHPFKYARJW-UHFFFAOYSA-N -1 1 319.426 3.730 20 0 DHADMM O=C1CC[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)c2ccccc21 ZINC000436872807 334013408 /nfs/dbraw/zinc/01/34/08/334013408.db2.gz LDCGBUNHEJBOEV-CYBMUJFWSA-N -1 1 324.311 3.690 20 0 DHADMM Cc1nc2ccc(NC(=O)c3c[nH]nc3-c3ccsc3)cc2o1 ZINC000187633756 334266261 /nfs/dbraw/zinc/26/62/61/334266261.db2.gz YAZJGMORNXYELH-UHFFFAOYSA-N -1 1 324.365 3.840 20 0 DHADMM CC(C)(C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000048660172 334294543 /nfs/dbraw/zinc/29/45/43/334294543.db2.gz JFWXPLIEXFFYTL-UHFFFAOYSA-N -1 1 316.637 3.724 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(Br)cc1 ZINC000534709251 334331486 /nfs/dbraw/zinc/33/14/86/334331486.db2.gz LTARJRNRSADQNK-UHFFFAOYSA-N -1 1 310.122 3.546 20 0 DHADMM O=C(Nc1cccc(Oc2ccncc2)c1)c1ccccc1[O-] ZINC000112183019 334368464 /nfs/dbraw/zinc/36/84/64/334368464.db2.gz JLDGNZVVYQXLPG-UHFFFAOYSA-N -1 1 306.321 3.832 20 0 DHADMM COc1cccc([C@H](C)CC(=O)Nc2ccc(F)cc2[O-])c1 ZINC000532012735 334373835 /nfs/dbraw/zinc/37/38/35/334373835.db2.gz BIKNWHIIXUVGHC-LLVKDONJSA-N -1 1 303.333 3.672 20 0 DHADMM O=S(=O)([N-]c1cccc2ccncc21)c1ccc(Cl)cc1 ZINC000532037375 334382925 /nfs/dbraw/zinc/38/29/25/334382925.db2.gz PNBRAJXYIBDTAJ-UHFFFAOYSA-N -1 1 318.785 3.689 20 0 DHADMM COc1cc(C(=O)N(C)Cc2ccccc2C)cc(Cl)c1[O-] ZINC000340831192 334388500 /nfs/dbraw/zinc/38/85/00/334388500.db2.gz HCKHYQAXDRPDAT-UHFFFAOYSA-N -1 1 319.788 3.635 20 0 DHADMM CC1(C)CN(Cc2nc(=O)c3sccc3[n-]2)CC(C)(C)C1 ZINC000342373020 334536143 /nfs/dbraw/zinc/53/61/43/334536143.db2.gz VVPIHQDBWFCTLH-UHFFFAOYSA-N -1 1 305.447 3.655 20 0 DHADMM CCc1cc(=O)[n-]c(SCCCSCc2ccccc2)n1 ZINC000188082179 334634487 /nfs/dbraw/zinc/63/44/87/334634487.db2.gz LYVDTFZYMXSULU-UHFFFAOYSA-N -1 1 320.483 3.748 20 0 DHADMM CC[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)[C@@H]1CC1(C)C ZINC000416276450 334658990 /nfs/dbraw/zinc/65/89/90/334658990.db2.gz MQVZKQUSQGIVSH-CMPLNLGQSA-N -1 1 311.809 3.609 20 0 DHADMM CCOc1cc(C(=O)N[C@H]2CCC[C@H]2CC)cc(Cl)c1[O-] ZINC000334038732 334868391 /nfs/dbraw/zinc/86/83/91/334868391.db2.gz KLTDCTHOFCIHEA-MFKMUULPSA-N -1 1 311.809 3.753 20 0 DHADMM O=C(Nc1cccc(-c2ncco2)c1)c1c(F)ccc([O-])c1F ZINC000343804923 335194381 /nfs/dbraw/zinc/19/43/81/335194381.db2.gz IAROIVXKYUMQOM-UHFFFAOYSA-N -1 1 316.263 3.578 20 0 DHADMM CC(C)[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000444524111 338474536 /nfs/dbraw/zinc/47/45/36/338474536.db2.gz PILNMCYJDVURQB-NSHDSACASA-N -1 1 315.335 3.919 20 0 DHADMM O=C([N-]c1nnc(/C=C\c2ccco2)s1)c1sccc1F ZINC000344490844 335256289 /nfs/dbraw/zinc/25/62/89/335256289.db2.gz PHZZPUMZDILWRC-ARJAWSKDSA-N -1 1 321.358 3.754 20 0 DHADMM COc1cc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)cc(Cl)c1[O-] ZINC000344891062 335283253 /nfs/dbraw/zinc/28/32/53/335283253.db2.gz UKAQUTDRUBZAFZ-SMDDNHRTSA-N -1 1 323.820 3.849 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N(Cc1ccncc1)C1CC1 ZINC000094037121 335704096 /nfs/dbraw/zinc/70/40/96/335704096.db2.gz DNZIPQSBERDTCG-UHFFFAOYSA-N -1 1 318.376 3.745 20 0 DHADMM CC[C@@H](C)N(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000094080035 335712374 /nfs/dbraw/zinc/71/23/74/335712374.db2.gz FUMZKPVUUCZZID-LLVKDONJSA-N -1 1 322.405 3.610 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCCCC[C@H]1c1ccco1 ZINC000094158937 335721581 /nfs/dbraw/zinc/72/15/81/335721581.db2.gz JRSCAVVPJUHDKG-AWEZNQCLSA-N -1 1 303.333 3.882 20 0 DHADMM [O-]c1ccc(-c2noc(COc3ccccc3Cl)n2)cc1F ZINC000445486584 338496830 /nfs/dbraw/zinc/49/68/30/338496830.db2.gz OFGCHJNRJQXMPY-UHFFFAOYSA-N -1 1 320.707 3.814 20 0 DHADMM COCCc1ccccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000191704706 335832056 /nfs/dbraw/zinc/83/20/56/335832056.db2.gz XSSHQOSGFPGKBU-UHFFFAOYSA-N -1 1 321.376 3.987 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)s1 ZINC000102748774 335930340 /nfs/dbraw/zinc/93/03/40/335930340.db2.gz XZGZZBLNGRNCQB-UHFFFAOYSA-N -1 1 305.783 3.650 20 0 DHADMM Cc1cnc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC000329316990 335963359 /nfs/dbraw/zinc/96/33/59/335963359.db2.gz QRAMLYNWJVJDFB-BBWFWOEESA-N -1 1 322.408 3.504 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)c(C)c1 ZINC000520701635 336026438 /nfs/dbraw/zinc/02/64/38/336026438.db2.gz UGGOCNIOBGPGJD-UHFFFAOYSA-N -1 1 318.423 3.714 20 0 DHADMM C[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000351303682 336026929 /nfs/dbraw/zinc/02/69/29/336026929.db2.gz ODFFTXHSYWNNAU-CYBMUJFWSA-N -1 1 321.380 3.600 20 0 DHADMM CSC1(CNC(=O)c2ccc3ccccc3c2[O-])CCC1 ZINC000228638707 336036107 /nfs/dbraw/zinc/03/61/07/336036107.db2.gz YGABSKKEDWETSH-UHFFFAOYSA-N -1 1 301.411 3.561 20 0 DHADMM CCn1c(=O)[nH]nc1SCc1cc(Cl)cc(Cl)c1 ZINC000351576723 336046591 /nfs/dbraw/zinc/04/65/91/336046591.db2.gz XNOGQOZRSLMDMG-UHFFFAOYSA-N -1 1 304.202 3.603 20 0 DHADMM CC(C)c1ccc(C[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)cc1 ZINC000331592435 336141304 /nfs/dbraw/zinc/14/13/04/336141304.db2.gz YIUAHVBLNFNVHC-INIZCTEOSA-N -1 1 324.424 3.615 20 0 DHADMM C[C@@H]1C[C@@H](c2nc(-c3ccc([O-])cc3Cl)no2)CCC1=O ZINC000331636903 336142788 /nfs/dbraw/zinc/14/27/88/336142788.db2.gz IVKBXZSMQXPERF-BDAKNGLRSA-N -1 1 306.749 3.568 20 0 DHADMM Cc1cnc(C(=O)N2CC3(CCCCC3)[C@H]2C(C)C)c([O-])c1 ZINC000333763202 336209755 /nfs/dbraw/zinc/20/97/55/336209755.db2.gz PRQMKBONZFLTPY-MRXNPFEDSA-N -1 1 302.418 3.527 20 0 DHADMM O=C(c1ncccc1[O-])N(Cc1ccccc1)Cc1ccccc1 ZINC000193890994 336221854 /nfs/dbraw/zinc/22/18/54/336221854.db2.gz QKBZDHOCAJNATM-UHFFFAOYSA-N -1 1 318.376 3.630 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1cc(Oc2ccccc2)ccn1 ZINC000532620777 336257111 /nfs/dbraw/zinc/25/71/11/336257111.db2.gz SSASVRNOTQARGR-UHFFFAOYSA-N -1 1 324.311 3.971 20 0 DHADMM Cc1cccc(CSCC(=O)Nc2ccc(F)cc2[O-])c1 ZINC000532621017 336257165 /nfs/dbraw/zinc/25/71/65/336257165.db2.gz DVVSOFGBEIMBPL-UHFFFAOYSA-N -1 1 305.374 3.712 20 0 DHADMM OC[C@H]([N-]c1nc(-c2cccc(Cl)c2)no1)c1ccccc1 ZINC000301386307 336303873 /nfs/dbraw/zinc/30/38/73/336303873.db2.gz VWVONGUIMLMKSG-AWEZNQCLSA-N -1 1 315.760 3.536 20 0 DHADMM C[C@H](c1ccco1)N(C)CCOc1ccc(C(=O)[O-])cc1Cl ZINC000514608713 336386097 /nfs/dbraw/zinc/38/60/97/336386097.db2.gz XJMOAVSBGTWCHQ-LLVKDONJSA-N -1 1 323.776 3.703 20 0 DHADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3occ(C)c3c2)c1 ZINC000359553582 336677372 /nfs/dbraw/zinc/67/73/72/336677372.db2.gz SRUDPRSNZTTZPR-UHFFFAOYSA-N -1 1 324.336 3.658 20 0 DHADMM Cc1noc([C@@H]([N-]c2nc3ccccc3o2)c2ccccc2)n1 ZINC000368942974 336855433 /nfs/dbraw/zinc/85/54/33/336855433.db2.gz RVGLQSBSBBWWHW-HNNXBMFYSA-N -1 1 306.325 3.721 20 0 DHADMM Cc1occc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182928783 337190726 /nfs/dbraw/zinc/19/07/26/337190726.db2.gz PORAZDSCQBFZTR-UHFFFAOYSA-N -1 1 310.147 3.617 20 0 DHADMM CCOc1cc(C(=O)NC[C@H]2CC=CCC2)cc(Cl)c1[O-] ZINC000186711033 337258899 /nfs/dbraw/zinc/25/88/99/337258899.db2.gz CEENXACTMVBESJ-NSHDSACASA-N -1 1 309.793 3.530 20 0 DHADMM CCOc1cc(C(=O)N2CC[C@H](C)[C@@H](C)C2)cc(Cl)c1[O-] ZINC000186981593 337262029 /nfs/dbraw/zinc/26/20/29/337262029.db2.gz QWQFQLKUZJMXHK-QWRGUYRKSA-N -1 1 311.809 3.562 20 0 DHADMM O=C1CCc2cc(NCc3cccc([O-])c3Cl)ccc2N1 ZINC000328074129 337792497 /nfs/dbraw/zinc/79/24/97/337792497.db2.gz AJRNRNAZEWAXIC-UHFFFAOYSA-N -1 1 302.761 3.542 20 0 DHADMM CC[C@@H]1CCCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000044490595 337809966 /nfs/dbraw/zinc/80/99/66/337809966.db2.gz NZSTZBKJANTTBZ-LLVKDONJSA-N -1 1 312.207 3.559 20 0 DHADMM COc1cccc(-c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445447806 337848043 /nfs/dbraw/zinc/84/80/43/337848043.db2.gz QFZYETOTINAHSJ-UHFFFAOYSA-N -1 1 302.717 3.771 20 0 DHADMM CC(=O)c1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445450731 338015425 /nfs/dbraw/zinc/01/54/25/338015425.db2.gz VUYSVIKKJHJZMN-UHFFFAOYSA-N -1 1 314.728 3.965 20 0 DHADMM [O-]c1ccc(-c2noc(-c3ccc4ncccc4c3)n2)c(F)c1 ZINC000445454009 338017079 /nfs/dbraw/zinc/01/70/79/338017079.db2.gz DPDVCKDTFVLHRE-UHFFFAOYSA-N -1 1 307.284 3.797 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3ccc(O)cc3Cl)n2)c(F)c1 ZINC000445455112 338017267 /nfs/dbraw/zinc/01/72/67/338017267.db2.gz BXJKTKRIKAPIHF-UHFFFAOYSA-N -1 1 320.707 3.531 20 0 DHADMM CC(C)c1ncc(-c2nc(-c3ccc([O-])cc3F)no2)s1 ZINC000445457022 338017561 /nfs/dbraw/zinc/01/75/61/338017561.db2.gz QIWGXKIXRCGGCR-UHFFFAOYSA-N -1 1 305.334 3.828 20 0 DHADMM Cc1cccc2[nH]cc(Cc3nc(-c4ccc([O-])cc4F)no3)c21 ZINC000445457828 338017845 /nfs/dbraw/zinc/01/78/45/338017845.db2.gz ZZPHOIPWRHZQAD-UHFFFAOYSA-N -1 1 323.327 3.962 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3ccc(F)cc3Cl)n2)c(F)c1 ZINC000445458949 338018208 /nfs/dbraw/zinc/01/82/08/338018208.db2.gz WEBVQALMUXDVMM-UHFFFAOYSA-N -1 1 322.698 3.965 20 0 DHADMM CCOc1cc(-c2nc(-c3ccoc3)no2)cc(Cl)c1[O-] ZINC000445459268 338018424 /nfs/dbraw/zinc/01/84/24/338018424.db2.gz ZARZWVQIBSPMNC-UHFFFAOYSA-N -1 1 306.705 3.754 20 0 DHADMM O=C([O-])C[C@@H](NCc1cccc(Cl)c1F)c1ccsc1 ZINC000426689658 338038255 /nfs/dbraw/zinc/03/82/55/338038255.db2.gz WBSAZYAYKQHHQQ-GFCCVEGCSA-N -1 1 313.781 3.846 20 0 DHADMM O=C([O-])[C@H](NC/C=C/c1ccc(F)cc1)c1c(F)cccc1F ZINC000426733829 338039905 /nfs/dbraw/zinc/03/99/05/338039905.db2.gz OFPVNQZHQGCTCF-WOMSROEHSA-N -1 1 321.298 3.533 20 0 DHADMM COc1ccc2oc(CN[C@@H](CCC(C)(C)C)C(=O)[O-])cc2c1 ZINC000426755484 338040871 /nfs/dbraw/zinc/04/08/71/338040871.db2.gz ZSGRARFQGHSNPS-HNNXBMFYSA-N -1 1 319.401 3.811 20 0 DHADMM CCOC(=O)c1cnc(C(C)=Cc2sccc2Cl)[n-]c1=O ZINC000432698315 338163385 /nfs/dbraw/zinc/16/33/85/338163385.db2.gz JGCUOOZWGSLAPP-VURMDHGXSA-N -1 1 324.789 3.634 20 0 DHADMM CCOC(=O)c1cnc(C(C)=Cc2ccsc2Cl)[n-]c1=O ZINC000432704423 338163601 /nfs/dbraw/zinc/16/36/01/338163601.db2.gz GTSWOHLREXHNCJ-SOFGYWHQSA-N -1 1 324.789 3.634 20 0 DHADMM Cc1ccsc1S(=O)(=O)[N-]c1c(C)c(F)ccc1Cl ZINC000433171012 338183701 /nfs/dbraw/zinc/18/37/01/338183701.db2.gz BLEAWTVBIOMKBE-UHFFFAOYSA-N -1 1 319.810 3.958 20 0 DHADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)c1 ZINC000433615484 338198252 /nfs/dbraw/zinc/19/82/52/338198252.db2.gz IUIXGDZVHFOCFG-UHFFFAOYSA-N -1 1 321.373 3.528 20 0 DHADMM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000434626506 338221804 /nfs/dbraw/zinc/22/18/04/338221804.db2.gz IKSJUQICUDYXIW-UHFFFAOYSA-N -1 1 319.426 3.730 20 0 DHADMM Fc1cc(Cl)ccc1CSc1nc(-c2ccccn2)n[nH]1 ZINC000436054783 338256863 /nfs/dbraw/zinc/25/68/63/338256863.db2.gz SHLBWYZZSPLTRO-UHFFFAOYSA-N -1 1 320.780 3.952 20 0 DHADMM O=C(Nc1cccc(COCC2CC2)c1)c1cc(F)ccc1[O-] ZINC000436550514 338276636 /nfs/dbraw/zinc/27/66/36/338276636.db2.gz IXFPZNTXDOAHAS-UHFFFAOYSA-N -1 1 315.344 3.710 20 0 DHADMM Cc1ccc(CC[C@@H](C)NC(=O)c2ccc(Cl)cc2[O-])o1 ZINC000436564343 338277181 /nfs/dbraw/zinc/27/71/81/338277181.db2.gz GTXVVDKKTIQRAC-SNVBAGLBSA-N -1 1 307.777 3.698 20 0 DHADMM C[C@H]1CCN(C(=O)c2cc(F)ccc2[O-])[C@@H]1c1cccc(F)c1 ZINC000436574947 338277836 /nfs/dbraw/zinc/27/78/36/338277836.db2.gz NHTUBQIPKYICNP-GTNSWQLSSA-N -1 1 317.335 3.894 20 0 DHADMM C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)c1cc(F)ccc1[O-] ZINC000436580632 338278117 /nfs/dbraw/zinc/27/81/17/338278117.db2.gz CHMGHTVOPDXLRP-SECBINFHSA-N -1 1 321.298 3.569 20 0 DHADMM COc1ccc(C(=O)Nc2cc(F)ccc2NC(C)C)c([O-])c1 ZINC000436587297 338278575 /nfs/dbraw/zinc/27/85/75/338278575.db2.gz PCHBSUQGJJLSQW-UHFFFAOYSA-N -1 1 318.348 3.613 20 0 DHADMM Cc1ccccc1[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000436623677 338280506 /nfs/dbraw/zinc/28/05/06/338280506.db2.gz ITPBRYUBYMNYJB-CYBMUJFWSA-N -1 1 315.800 3.984 20 0 DHADMM CCCn1ccc2cc(NC(=O)C(=O)c3ccc([O-])cc3)ccc21 ZINC000436685326 338282787 /nfs/dbraw/zinc/28/27/87/338282787.db2.gz BGDIIFPNZDSGDC-UHFFFAOYSA-N -1 1 322.364 3.578 20 0 DHADMM Cc1cccc2c(Cc3noc(-c4ccc([O-])cc4F)n3)c[nH]c21 ZINC000436685140 338282806 /nfs/dbraw/zinc/28/28/06/338282806.db2.gz AJGQLTJUBMVGEX-UHFFFAOYSA-N -1 1 323.327 3.962 20 0 DHADMM CC(C)(NC(=O)c1ccc([O-])cc1F)c1ccc(Cl)cc1 ZINC000436702399 338283411 /nfs/dbraw/zinc/28/34/11/338283411.db2.gz AJLDTYBQEXHHOS-UHFFFAOYSA-N -1 1 307.752 3.850 20 0 DHADMM Cc1noc(C)c1C(C)(C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000436715553 338283804 /nfs/dbraw/zinc/28/38/04/338283804.db2.gz XRFLPLFNJKYSQQ-UHFFFAOYSA-N -1 1 324.380 3.815 20 0 DHADMM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])[C@@H]1c1ccccc1 ZINC000436717093 338283884 /nfs/dbraw/zinc/28/38/84/338283884.db2.gz DPGONMQVPFYVFO-BZNIZROVSA-N -1 1 301.773 3.879 20 0 DHADMM CC(C)[C@H]1CCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436751111 338285353 /nfs/dbraw/zinc/28/53/53/338285353.db2.gz IWFCPSRDCIMFRD-GFCCVEGCSA-N -1 1 301.308 3.672 20 0 DHADMM CC[C@@H]1C[C@@H](C)CN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436750834 338285446 /nfs/dbraw/zinc/28/54/46/338285446.db2.gz HNHQTZDQVJCQQD-MWLCHTKSSA-N -1 1 301.308 3.672 20 0 DHADMM CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436750833 338285490 /nfs/dbraw/zinc/28/54/90/338285490.db2.gz HNHQTZDQVJCQQD-KOLCDFICSA-N -1 1 301.308 3.672 20 0 DHADMM COCc1ccc(CNC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000436759065 338285949 /nfs/dbraw/zinc/28/59/49/338285949.db2.gz RHLIDHHEYBCFSP-UHFFFAOYSA-N -1 1 321.376 3.622 20 0 DHADMM CCCN(CC1CC1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436763279 338286168 /nfs/dbraw/zinc/28/61/68/338286168.db2.gz JNGCTKMVNHEUSG-UHFFFAOYSA-N -1 1 301.308 3.673 20 0 DHADMM Cc1ccc(CN(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC000436765528 338286422 /nfs/dbraw/zinc/28/64/22/338286422.db2.gz PSCLTCAULDBMLA-UHFFFAOYSA-N -1 1 323.314 3.992 20 0 DHADMM CCCc1nc(C)c(CNC(=O)c2ccc3ccccc3c2[O-])o1 ZINC000436799994 338287942 /nfs/dbraw/zinc/28/79/42/338287942.db2.gz HFZRFHOSVDMSKN-UHFFFAOYSA-N -1 1 324.380 3.724 20 0 DHADMM O=C(N[C@H](c1cccnc1)C1CC1)c1ccc2ccccc2c1[O-] ZINC000436824247 338288743 /nfs/dbraw/zinc/28/87/43/338288743.db2.gz GAIOBPCXAFJBLR-SFHVURJKSA-N -1 1 318.376 3.822 20 0 DHADMM CN(CCc1ccccc1O)C(=O)c1ccc2ccccc2c1[O-] ZINC000436836515 338289292 /nfs/dbraw/zinc/28/92/92/338289292.db2.gz ZDOHPZVYEIFBMP-UHFFFAOYSA-N -1 1 321.376 3.566 20 0 DHADMM CCc1ccc([C@H]2CCN(C(=O)c3cc(F)ccc3[O-])C2)cc1 ZINC000436856034 338289970 /nfs/dbraw/zinc/28/99/70/338289970.db2.gz XAWNJLCPQCQQTK-HNNXBMFYSA-N -1 1 313.372 3.723 20 0 DHADMM CCOc1cc(-c2noc(CC3(C)CC3)n2)cc(Cl)c1[O-] ZINC000436879352 338291501 /nfs/dbraw/zinc/29/15/01/338291501.db2.gz MJEWIRIHZCIVNI-UHFFFAOYSA-N -1 1 308.765 3.837 20 0 DHADMM COc1cccc([C@@H](C)NC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000436885676 338291725 /nfs/dbraw/zinc/29/17/25/338291725.db2.gz IOKZULPIAWNJQV-SNVBAGLBSA-N -1 1 305.761 3.545 20 0 DHADMM CCOCc1ccccc1-c1noc(-c2cc(F)ccc2[O-])n1 ZINC000436908194 338293114 /nfs/dbraw/zinc/29/31/14/338293114.db2.gz IFVNSKRGHBNIRX-UHFFFAOYSA-N -1 1 314.316 3.785 20 0 DHADMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3cc(C)cc(C)c3)no2)c1 ZINC000436927400 338293905 /nfs/dbraw/zinc/29/39/05/338293905.db2.gz POKCPMQKNAONSA-UHFFFAOYSA-N -1 1 323.352 3.684 20 0 DHADMM COc1ccc(-c2nc(C[C@@H](C)c3ccccc3)no2)c([O-])c1 ZINC000436943413 338294957 /nfs/dbraw/zinc/29/49/57/338294957.db2.gz FXVNSJMURVKXNS-GFCCVEGCSA-N -1 1 310.353 3.797 20 0 DHADMM C[C@@H]1CC2(CCC2)CN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436953971 338295712 /nfs/dbraw/zinc/29/57/12/338295712.db2.gz TWOJWJQIVHGHRD-SNVBAGLBSA-N -1 1 313.319 3.816 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CC2(CCC2)[C@H]1c1ccccc1 ZINC000436977594 338296423 /nfs/dbraw/zinc/29/64/23/338296423.db2.gz FVAVAFSYFKWOME-QGZVFWFLSA-N -1 1 311.356 3.899 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCCC2(CCC2)C1 ZINC000436981400 338296639 /nfs/dbraw/zinc/29/66/39/338296639.db2.gz CQEXXGHNNNJUSH-UHFFFAOYSA-N -1 1 313.319 3.817 20 0 DHADMM CN(Cc1ccc(Cl)c(F)c1)C(=O)c1cc(F)ccc1[O-] ZINC000155985256 338324710 /nfs/dbraw/zinc/32/47/10/338324710.db2.gz XMESRNWHXUTVHU-UHFFFAOYSA-N -1 1 311.715 3.596 20 0 DHADMM O=C([N-]c1ccsc1Cl)c1cc(-c2ccccn2)no1 ZINC000438565037 338348323 /nfs/dbraw/zinc/34/83/23/338348323.db2.gz BIPFUYUCBAGAQT-UHFFFAOYSA-N -1 1 305.746 3.704 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)cc1F ZINC000442847328 338434373 /nfs/dbraw/zinc/43/43/73/338434373.db2.gz QFKREMYTUAZBBA-UHFFFAOYSA-N -1 1 305.330 3.681 20 0 DHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc2ccoc2c1 ZINC000442855186 338434905 /nfs/dbraw/zinc/43/49/05/338434905.db2.gz XALORHBWGKXHBN-UHFFFAOYSA-N -1 1 305.330 3.681 20 0 DHADMM CC[C@H]1CCC[C@H]1CNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000456053117 338918065 /nfs/dbraw/zinc/91/80/65/338918065.db2.gz XYVAQCMAKVEJDU-QWRGUYRKSA-N -1 1 311.809 3.610 20 0 DHADMM Cc1ccc(C(=O)Nc2ccc([O-])c(F)c2F)c(C(C)C)n1 ZINC000456762103 338939537 /nfs/dbraw/zinc/93/95/37/338939537.db2.gz AHFXCYGTNZQQIG-UHFFFAOYSA-N -1 1 306.312 3.750 20 0 DHADMM C[C@@H](c1cccc(Cl)c1)N(C)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459289321 339019561 /nfs/dbraw/zinc/01/95/61/339019561.db2.gz APYUPMVYFRXVFY-NSHDSACASA-N -1 1 317.820 3.906 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2Cl)s1 ZINC000461150318 339059869 /nfs/dbraw/zinc/05/98/69/339059869.db2.gz SNGFGWIDOAQNFQ-UHFFFAOYSA-N -1 1 301.820 3.819 20 0 DHADMM Cc1cc(C)cc(N(C)C(=O)c2cn[nH]c2-c2ccccc2)c1 ZINC000463654441 339123288 /nfs/dbraw/zinc/12/32/88/339123288.db2.gz WJQQYWIWPRJZBC-UHFFFAOYSA-N -1 1 305.381 3.970 20 0 DHADMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(C)c(C)c2)[nH]n1 ZINC000470491369 339320915 /nfs/dbraw/zinc/32/09/15/339320915.db2.gz FHPOEXZJHHSNNW-LBPRGKRZSA-N -1 1 321.446 3.731 20 0 DHADMM COc1cc([N-]S(=O)(=O)c2cc(C)ccc2C)c(C)cc1C ZINC000478682147 339520470 /nfs/dbraw/zinc/52/04/70/339520470.db2.gz OEOYEIQNZIXUDO-UHFFFAOYSA-N -1 1 319.426 3.730 20 0 DHADMM Cc1cc(-c2nc3cc(F)ccc3c(=O)[n-]2)nc2ccccc12 ZINC000487514289 339755354 /nfs/dbraw/zinc/75/53/54/339755354.db2.gz JHIIHFPYOXUNMC-UHFFFAOYSA-N -1 1 305.312 3.998 20 0 DHADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(SC)cc1 ZINC000488256847 339774694 /nfs/dbraw/zinc/77/46/94/339774694.db2.gz QAOMRPJGBMVRMI-UHFFFAOYSA-N -1 1 307.440 3.772 20 0 DHADMM Cc1cc(C)cc([N-]S(=O)(=O)c2cccc3ncccc32)c1 ZINC000508033219 340237771 /nfs/dbraw/zinc/23/77/71/340237771.db2.gz QXAFZJJAEURGTP-UHFFFAOYSA-N -1 1 312.394 3.652 20 0 DHADMM [O-]c1cccc(CN2CCO[C@H](c3cccc(F)c3)C2)c1Cl ZINC000508171744 340240074 /nfs/dbraw/zinc/24/00/74/340240074.db2.gz AZWJSJMMJKAJJG-INIZCTEOSA-N -1 1 321.779 3.758 20 0 DHADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(C)cc(F)c1 ZINC000176671427 340430128 /nfs/dbraw/zinc/43/01/28/340430128.db2.gz ZQHNKQAGRHYMFN-UHFFFAOYSA-N -1 1 307.390 3.806 20 0 DHADMM CC[C@@H](CNC(=O)c1c(F)ccc([O-])c1F)c1ccccc1 ZINC000516684942 340453846 /nfs/dbraw/zinc/45/38/46/340453846.db2.gz KUHRFMRPSUCYEP-NSHDSACASA-N -1 1 305.324 3.594 20 0 DHADMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cc(C2CC2)on1 ZINC000186725442 340515527 /nfs/dbraw/zinc/51/55/27/340515527.db2.gz JXQPFMBGQBRTCI-UHFFFAOYSA-N -1 1 309.325 3.768 20 0 DHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc2ncsc2c1 ZINC000194156319 340589531 /nfs/dbraw/zinc/58/95/31/340589531.db2.gz BGPJRUPKOLCQHR-UHFFFAOYSA-N -1 1 322.386 3.545 20 0 DHADMM CCOc1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000048655558 340710083 /nfs/dbraw/zinc/71/00/83/340710083.db2.gz RDQQFHBASSGVCA-UHFFFAOYSA-N -1 1 311.790 3.540 20 0 DHADMM CCC[C@@](C)(O)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529538370 340760828 /nfs/dbraw/zinc/76/08/28/340760828.db2.gz BIZWAPYFKLSHJR-MRXNPFEDSA-N -1 1 307.777 3.688 20 0 DHADMM C[C@@H]1C[C@H](C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CO1 ZINC000529538330 340760839 /nfs/dbraw/zinc/76/08/39/340760839.db2.gz AHADRFKNUISQPZ-ZJUUUORDSA-N -1 1 305.761 3.562 20 0 DHADMM C[C@H]1C[C@H](C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CCO1 ZINC000529538681 340760947 /nfs/dbraw/zinc/76/09/47/340760947.db2.gz JMLHENPXPPDGHW-WDEREUQCSA-N -1 1 319.788 3.952 20 0 DHADMM Cc1ccc(O)cc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000530143860 340780779 /nfs/dbraw/zinc/78/07/79/340780779.db2.gz BRQZJKXNCHBJKZ-UHFFFAOYSA-N -1 1 319.426 3.799 20 0 DHADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2c(C)cccc2C)c1 ZINC000126140900 340822990 /nfs/dbraw/zinc/82/29/90/340822990.db2.gz ANYCYWHCFYPWKV-UHFFFAOYSA-N -1 1 317.410 3.697 20 0 DHADMM CSc1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1C ZINC000540291412 340925476 /nfs/dbraw/zinc/92/54/76/340925476.db2.gz DIHUSXZICZURKC-UHFFFAOYSA-N -1 1 311.403 3.657 20 0 DHADMM CCSCC[C@H](C)NC(=O)c1ccc2ccccc2c1[O-] ZINC000135393991 341238500 /nfs/dbraw/zinc/23/85/00/341238500.db2.gz PANYBTYBRHTBFZ-LBPRGKRZSA-N -1 1 303.427 3.807 20 0 DHADMM CN(Cc1ccc(F)cc1)C(=O)c1ccc2ccccc2c1[O-] ZINC000078356417 341240895 /nfs/dbraw/zinc/24/08/95/341240895.db2.gz VEZNWWRCWZSRLK-UHFFFAOYSA-N -1 1 309.340 3.957 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1 ZINC000078677149 341246025 /nfs/dbraw/zinc/24/60/25/341246025.db2.gz XAKVEKJCAVBJKK-UHFFFAOYSA-N -1 1 300.383 3.531 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCC(Cc2ccccc2)CC1 ZINC000080000531 341268483 /nfs/dbraw/zinc/26/84/83/341268483.db2.gz VWDIGEXGQPMXIR-UHFFFAOYSA-N -1 1 313.372 3.626 20 0 DHADMM CC[C@](C)(NC(=O)c1ccc(Cl)cc1[O-])c1nccs1 ZINC000154207513 341586550 /nfs/dbraw/zinc/58/65/50/341586550.db2.gz UKMZMIHAHWBTFO-AWEZNQCLSA-N -1 1 310.806 3.557 20 0 DHADMM COc1ccc([C@H](NC(=O)c2ccc([O-])cc2F)C(C)C)cc1 ZINC000154771963 341595821 /nfs/dbraw/zinc/59/58/21/341595821.db2.gz DRMFTQDMZBZDPB-QGZVFWFLSA-N -1 1 317.360 3.667 20 0 DHADMM O=C(Nc1ccc(OC2CCC2)c(F)c1)c1ccc([O-])cc1F ZINC000154960464 341598919 /nfs/dbraw/zinc/59/89/19/341598919.db2.gz KQOUGUNRRJMAFN-UHFFFAOYSA-N -1 1 319.307 3.854 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1[C@H]1CCCC1=O ZINC000272144118 341626271 /nfs/dbraw/zinc/62/62/71/341626271.db2.gz DXIXOBDKOXLQNB-WBVHZDCISA-N -1 1 323.392 3.519 20 0 DHADMM [O-]c1ccc(-c2noc([C@H]3C[C@]34CCc3ccccc34)n2)c(F)c1 ZINC000568158975 341655030 /nfs/dbraw/zinc/65/50/30/341655030.db2.gz IDEYEHKZAJOLNM-BEFAXECRSA-N -1 1 322.339 3.953 20 0 DHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1CC2CCC1CC2 ZINC000573791035 341739310 /nfs/dbraw/zinc/73/93/10/341739310.db2.gz LGFFCVFVNHLXSU-QOZQQMKHSA-N -1 1 311.385 3.547 20 0 DHADMM CCCN(CCC)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000338336164 521640765 /nfs/dbraw/zinc/64/07/65/521640765.db2.gz CGEOQGHTKDOVAW-UHFFFAOYSA-N -1 1 306.793 3.856 20 0 DHADMM CN(C(=O)c1ccc(Cl)cc1[O-])[C@H]1CCCc2cccnc21 ZINC000364996627 523932738 /nfs/dbraw/zinc/93/27/38/523932738.db2.gz BDFSMRQSOATSCS-AWEZNQCLSA-N -1 1 316.788 3.590 20 0 DHADMM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)c2ncccc2[O-])cc1 ZINC000364252594 526016203 /nfs/dbraw/zinc/01/62/03/526016203.db2.gz ONOKQJKRSCOYFM-CVEARBPZSA-N -1 1 310.397 3.504 20 0 DHADMM C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ncccc1[O-] ZINC000129524660 526046830 /nfs/dbraw/zinc/04/68/30/526046830.db2.gz KRKZUIFYLVRQBY-NEPJUHHUSA-N -1 1 318.804 3.705 20 0 DHADMM C[C@@H](c1ccco1)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180378769 526132256 /nfs/dbraw/zinc/13/22/56/526132256.db2.gz OXFKDIZFRZQEQE-VIFPVBQESA-N -1 1 313.275 3.837 20 0 DHADMM O=C(c1cncc([O-])c1)N1Cc2ccccc2-c2ccccc2C1 ZINC000111594643 526881841 /nfs/dbraw/zinc/88/18/41/526881841.db2.gz IOWBJNSKHHRSFN-UHFFFAOYSA-N -1 1 316.360 3.610 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000269029978 527214859 /nfs/dbraw/zinc/21/48/59/527214859.db2.gz MDGDHAWLEMWADG-RKDXNWHRSA-N -1 1 305.271 3.839 20 0 DHADMM CC(C)(NCc1ccc(-c2nc3ccccc3s2)o1)C(=O)[O-] ZINC000340672272 535249790 /nfs/dbraw/zinc/24/97/90/535249790.db2.gz AJYUGHBIJCUUNZ-UHFFFAOYSA-N -1 1 316.382 3.509 20 0 DHADMM CC(C)CCc1ccccc1NCc1ccc(-c2nnn[n-]2)o1 ZINC000820081790 607314901 /nfs/dbraw/zinc/31/49/01/607314901.db2.gz VWIKKGITTDNXCP-UHFFFAOYSA-N -1 1 311.389 3.660 20 0 DHADMM CC(C)CCc1ccccc1NCc1ccc(-c2nn[n-]n2)o1 ZINC000820081790 607314902 /nfs/dbraw/zinc/31/49/02/607314902.db2.gz VWIKKGITTDNXCP-UHFFFAOYSA-N -1 1 311.389 3.660 20 0 DHADMM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1nc2c(s1)CCCC2 ZINC000820141911 598162554 /nfs/dbraw/zinc/16/25/54/598162554.db2.gz KNACICYKWOSTKK-NSHDSACASA-N -1 1 316.426 3.571 20 0 DHADMM O=C([O-])c1cccc(CNCc2cnc(C3CCCC3)s2)c1 ZINC000666583646 598194069 /nfs/dbraw/zinc/19/40/69/598194069.db2.gz XDVMRNKSBBAHIC-UHFFFAOYSA-N -1 1 316.426 3.789 20 0 DHADMM C[C@@H](CCC(C)(C)C)Nc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000735985978 599442168 /nfs/dbraw/zinc/44/21/68/599442168.db2.gz OPAHXGJPQJNIOP-VIFPVBQESA-N -1 1 308.817 3.542 20 0 DHADMM C[C@@H](CCC(C)(C)C)Nc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000735985978 599442171 /nfs/dbraw/zinc/44/21/71/599442171.db2.gz OPAHXGJPQJNIOP-VIFPVBQESA-N -1 1 308.817 3.542 20 0 DHADMM C[C@@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)c1ccccc1 ZINC000736137271 599543798 /nfs/dbraw/zinc/54/37/98/599543798.db2.gz JHFYSYHXMHHEJQ-GFCCVEGCSA-N -1 1 316.368 3.588 20 0 DHADMM C[C@@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)c1ccccc1 ZINC000736137271 599543800 /nfs/dbraw/zinc/54/38/00/599543800.db2.gz JHFYSYHXMHHEJQ-GFCCVEGCSA-N -1 1 316.368 3.588 20 0 DHADMM CCCC[C@@H](Sc1nc2ccc(OCC)cc2[nH]1)C(=O)[O-] ZINC000132398479 599709647 /nfs/dbraw/zinc/70/96/47/599709647.db2.gz VTARHPDELGPILT-CYBMUJFWSA-N -1 1 308.403 3.697 20 0 DHADMM COc1ccccc1[C@@H]1CCCN1Cc1cc(C(=O)[O-])c(C)o1 ZINC000574093422 599774186 /nfs/dbraw/zinc/77/41/86/599774186.db2.gz YJWLMQIUGCOXQQ-INIZCTEOSA-N -1 1 315.369 3.632 20 0 DHADMM CN(Cc1cc(C(=O)[O-])co1)Cc1csc2ccccc12 ZINC000737454176 599848448 /nfs/dbraw/zinc/84/84/48/599848448.db2.gz BYJWRECMNANIBL-UHFFFAOYSA-N -1 1 301.367 3.825 20 0 DHADMM COc1ccccc1[C@H]1CCCCN1Cc1occc1C(=O)[O-] ZINC000738131409 599992880 /nfs/dbraw/zinc/99/28/80/599992880.db2.gz ZPJWTAUZDUZGHF-OAHLLOKOSA-N -1 1 315.369 3.714 20 0 DHADMM Cc1oc(CN2CCCCC[C@@H]2c2ccco2)cc1C(=O)[O-] ZINC000568991290 600262029 /nfs/dbraw/zinc/26/20/29/600262029.db2.gz QVNBMXJGGGOCQA-OAHLLOKOSA-N -1 1 303.358 3.997 20 0 DHADMM CC[C@@](NCc1cc(C)sc1C)(C(=O)[O-])c1ccccc1 ZINC000736915427 600305290 /nfs/dbraw/zinc/30/52/90/600305290.db2.gz CZBUSQNOMBBAQL-KRWDZBQOSA-N -1 1 303.427 3.845 20 0 DHADMM COc1ccccc1[C@@H](C)N[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000738121464 600315094 /nfs/dbraw/zinc/31/50/94/600315094.db2.gz SARGIVBZZNDGKI-BDJLRTHQSA-N -1 1 319.788 3.825 20 0 DHADMM Cc1cc(CN(C)[C@@H]2CCCc3nc(C)sc32)oc1C(=O)[O-] ZINC000652413262 600335797 /nfs/dbraw/zinc/33/57/97/600335797.db2.gz HVEHFUPCIXGLBO-CYBMUJFWSA-N -1 1 320.414 3.561 20 0 DHADMM O=C([O-])[C@H](NCc1cccc(Cl)c1Cl)c1ccccc1 ZINC000050507735 600430703 /nfs/dbraw/zinc/43/07/03/600430703.db2.gz XFCAFXGAALARTI-CQSZACIVSA-N -1 1 310.180 3.909 20 0 DHADMM O=C([O-])[C@@H](N[C@@H]1CCc2c1cccc2Cl)c1ccccc1F ZINC000833168635 600742435 /nfs/dbraw/zinc/74/24/35/600742435.db2.gz YWRKHYUWOZKDFI-CVEARBPZSA-N -1 1 319.763 3.882 20 0 DHADMM O=C([O-])[C@H](N[C@H]1CCc2cc(Cl)ccc21)c1ccccc1F ZINC000833166767 600743438 /nfs/dbraw/zinc/74/34/38/600743438.db2.gz JXKUADMBXALUOP-JKSUJKDBSA-N -1 1 319.763 3.882 20 0 DHADMM C[C@@H]1C[C@H](c2ccccc2F)N(Cc2cc(C(=O)[O-])co2)C1 ZINC000580652985 600840121 /nfs/dbraw/zinc/84/01/21/600840121.db2.gz OOAJTFHNUYIBHG-BDJLRTHQSA-N -1 1 303.333 3.700 20 0 DHADMM Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2occc2C(=O)[O-])o1 ZINC000578995269 600857604 /nfs/dbraw/zinc/85/76/04/600857604.db2.gz HBMGQPIRENSYLL-FZMZJTMJSA-N -1 1 303.358 3.852 20 0 DHADMM Cc1ccc([C@H]2CCCCN2Cc2cc(C(=O)[O-])c(C)o2)o1 ZINC000738583669 600968909 /nfs/dbraw/zinc/96/89/09/600968909.db2.gz PVQQSUPZMBALJY-OAHLLOKOSA-N -1 1 303.358 3.915 20 0 DHADMM C/C(=C/CN1CCC[C@H]1c1ccccc1Br)C(=O)[O-] ZINC000825741260 601498548 /nfs/dbraw/zinc/49/85/48/601498548.db2.gz LDWFMPSIZLAKFU-MSKHEQNASA-N -1 1 324.218 3.617 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN(CCC(F)(F)F)CC1CC1 ZINC000516932422 601610735 /nfs/dbraw/zinc/61/07/35/601610735.db2.gz NOGRGJYKMAZKPQ-UHFFFAOYSA-N -1 1 319.323 3.705 20 0 DHADMM O=C([O-])c1ccc(CN(Cc2ccc(F)cc2)C2CC2)cc1F ZINC000833315077 601615718 /nfs/dbraw/zinc/61/57/18/601615718.db2.gz PSBVAMQYNIRRCC-UHFFFAOYSA-N -1 1 317.335 3.828 20 0 DHADMM COc1ccccc1C(C)(C)NCc1ccc(C(=O)[O-])c(F)c1 ZINC000832589597 601628632 /nfs/dbraw/zinc/62/86/32/601628632.db2.gz RUNXASPYDCJRQS-UHFFFAOYSA-N -1 1 317.360 3.557 20 0 DHADMM O=C([O-])c1sccc1CN1CCSC[C@@H]1c1ccccc1 ZINC000563631547 601827785 /nfs/dbraw/zinc/82/77/85/601827785.db2.gz RTLPPAMKGVZGKC-CQSZACIVSA-N -1 1 319.451 3.736 20 0 DHADMM O=C([O-])c1ccc(CN(Cc2cccc(F)c2)C2CC2)s1 ZINC000652387928 601942258 /nfs/dbraw/zinc/94/22/58/601942258.db2.gz GOIQXFPCSHWPOY-UHFFFAOYSA-N -1 1 305.374 3.750 20 0 DHADMM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1C2CCC1CC2 ZINC000833170853 602033722 /nfs/dbraw/zinc/03/37/22/602033722.db2.gz UDQXGCWQVPMKEY-WXRRBKDZSA-N -1 1 300.185 3.746 20 0 DHADMM CCc1nc2c(s1)[C@H](N(C)Cc1cc(C(=O)[O-])co1)CCC2 ZINC000572653162 602056031 /nfs/dbraw/zinc/05/60/31/602056031.db2.gz FJJPVILFOTZBTD-CYBMUJFWSA-N -1 1 320.414 3.506 20 0 DHADMM CCCOc1ccc([C@H](C)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000829527922 604332733 /nfs/dbraw/zinc/33/27/33/604332733.db2.gz MSRPPDBJLWIDES-LBPRGKRZSA-N -1 1 303.358 3.617 20 0 DHADMM C[C@@H](NC(=O)[O-])c1ccc(CNCc2ccc(Cl)o2)cc1 ZINC000825401694 604413414 /nfs/dbraw/zinc/41/34/14/604413414.db2.gz DYIDUYYAUNFKRW-SNVBAGLBSA-N -1 1 308.765 3.551 20 0 DHADMM O=C([O-])[C@@H](CNc1ccnc2cc(F)ccc21)c1ccccc1 ZINC000833164738 604805596 /nfs/dbraw/zinc/80/55/96/604805596.db2.gz XWONNPYLELGJBQ-HNNXBMFYSA-N -1 1 310.328 3.654 20 0 DHADMM C[C@@H](c1ccccc1F)N(C)Cc1ccccc1CC(=O)[O-] ZINC000316760608 605064013 /nfs/dbraw/zinc/06/40/13/605064013.db2.gz VLOVZMNHOYIJKF-ZDUSSCGKSA-N -1 1 301.361 3.646 20 0 DHADMM COc1ccc(C)cc1[C@@H](C)NCc1ccsc1C(=O)[O-] ZINC000833731212 605065140 /nfs/dbraw/zinc/06/51/40/605065140.db2.gz WGLGMXXNROPWGC-LLVKDONJSA-N -1 1 305.399 3.614 20 0 DHADMM CC(C)Oc1cccc([C@H](C)NCc2ccoc2C(=O)[O-])c1 ZINC000833506581 605069846 /nfs/dbraw/zinc/06/98/46/605069846.db2.gz DCXUJIRAEAXYSH-LBPRGKRZSA-N -1 1 303.358 3.616 20 0 DHADMM CCCOc1ccc([C@@H](C)NCc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000833652696 605087080 /nfs/dbraw/zinc/08/70/80/605087080.db2.gz XVGRMFFGTIHGBA-GFCCVEGCSA-N -1 1 317.385 3.926 20 0 DHADMM CC[C@@H](NCc1ccc(C(=O)[O-])s1)c1ccc(F)cc1F ZINC000833643775 605142995 /nfs/dbraw/zinc/14/29/95/605142995.db2.gz HBIRIYBVVXXRIZ-CYBMUJFWSA-N -1 1 311.353 3.965 20 0 DHADMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)N2Cc1cscc1Cl ZINC000834162055 605610079 /nfs/dbraw/zinc/61/00/79/605610079.db2.gz NWIOFHSFSNQEFX-YOGCLGLASA-N -1 1 314.838 3.555 20 0 DHADMM O=C([O-])Nc1ccc2c(c1)CC[C@H]2NCc1ccc(Cl)cn1 ZINC000834264071 605652596 /nfs/dbraw/zinc/65/25/96/605652596.db2.gz YZWBABIHTIJMGO-OAHLLOKOSA-N -1 1 317.776 3.602 20 0 DHADMM O=C([O-])N[C@@H]1C[C@@H](NCc2ccc(F)c(F)c2)c2ccccc21 ZINC000834159703 605795398 /nfs/dbraw/zinc/79/53/98/605795398.db2.gz WADHZUYIKGGSOZ-HZPDHXFCSA-N -1 1 318.323 3.508 20 0 DHADMM C[C@H](c1ccc(F)cc1)N(C)Cc1cc(C(=O)[O-])ccc1F ZINC000833548089 605829643 /nfs/dbraw/zinc/82/96/43/605829643.db2.gz LWTSHBPEXNDLDK-LLVKDONJSA-N -1 1 305.324 3.856 20 0 DHADMM CCc1ccc([C@@H](C)NCc2cc(C(=O)[O-])ccc2F)cc1 ZINC000317886267 605842979 /nfs/dbraw/zinc/84/29/79/605842979.db2.gz PXIMZFKBRMBLEX-GFCCVEGCSA-N -1 1 301.361 3.937 20 0 DHADMM CC[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(Cl)s1 ZINC000825148742 607901543 /nfs/dbraw/zinc/90/15/43/607901543.db2.gz SWYBVJLOFKGBIE-MRVPVSSYSA-N -1 1 320.809 3.540 20 0 DHADMM CC[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(Cl)s1 ZINC000825148742 607901544 /nfs/dbraw/zinc/90/15/44/607901544.db2.gz SWYBVJLOFKGBIE-MRVPVSSYSA-N -1 1 320.809 3.540 20 0 DHADMM Cc1ccc(Sc2snc(Cl)c2-c2nnn[n-]2)cc1C ZINC000826293508 608171218 /nfs/dbraw/zinc/17/12/18/608171218.db2.gz RJXDGITWHVTEBP-UHFFFAOYSA-N -1 1 323.834 3.745 20 0 DHADMM Cc1ccc(Sc2snc(Cl)c2-c2nn[n-]n2)cc1C ZINC000826293508 608171219 /nfs/dbraw/zinc/17/12/19/608171219.db2.gz RJXDGITWHVTEBP-UHFFFAOYSA-N -1 1 323.834 3.745 20 0 DHADMM O=C([O-])c1cccc(CNCc2cc(F)c(Cl)cc2F)c1 ZINC001595245143 949513766 /nfs/dbraw/zinc/51/37/66/949513766.db2.gz VDRQMGYBQXETQN-UHFFFAOYSA-N -1 1 311.715 3.606 20 0 DHADMM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc2cncn2c1 ZINC000339944997 1013119581 /nfs/dbraw/zinc/11/95/81/1013119581.db2.gz RVIIJRRLTRUAIJ-UHFFFAOYSA-N -1 1 322.151 3.599 20 0 DHADMM O=C([O-])[C@@H]1C[C@H](NCc2ccc(F)c(F)c2F)c2ccccc21 ZINC001594903985 954657967 /nfs/dbraw/zinc/65/79/67/954657967.db2.gz ZCOUAPHIXZBMMY-OCCSQVGLSA-N -1 1 321.298 3.507 20 0 DHADMM O=C([O-])[C@H]1C[C@@H](NCc2ccc(F)c(F)c2F)c2ccccc21 ZINC001594903980 954658012 /nfs/dbraw/zinc/65/80/12/954658012.db2.gz ZCOUAPHIXZBMMY-GXTWGEPZSA-N -1 1 321.298 3.507 20 0 DHADMM O=C([O-])CC[C@H]1CCCCN1Cc1cc(C(F)(F)F)co1 ZINC000872161195 956056202 /nfs/dbraw/zinc/05/62/02/956056202.db2.gz UOJSHQZHEMUDDP-LLVKDONJSA-N -1 1 305.296 3.518 20 0 DHADMM CC(C)[C@H](NC(=O)c1cncc([O-])c1)c1ccccc1Cl ZINC000339950919 1013142718 /nfs/dbraw/zinc/14/27/18/1013142718.db2.gz KTBYNFXLHVJERT-HNNXBMFYSA-N -1 1 304.777 3.568 20 0 DHADMM COC[C@@H](NCc1ccc(C(=O)[O-])cc1)c1cccc(Cl)c1 ZINC001593958032 956456886 /nfs/dbraw/zinc/45/68/86/956456886.db2.gz YHYFJYBNSLINKW-MRXNPFEDSA-N -1 1 319.788 3.516 20 0 DHADMM CC(C)(C)c1cnc(CN2CCCC[C@@H]2CCC(=O)[O-])s1 ZINC000901998210 956597533 /nfs/dbraw/zinc/59/75/33/956597533.db2.gz QZTCTUQFTGEWJT-GFCCVEGCSA-N -1 1 310.463 3.660 20 0 DHADMM CC[C@]1(C(=O)[O-])CCCN(Cc2ncc(C(C)(C)C)s2)C1 ZINC000904400705 956955719 /nfs/dbraw/zinc/95/57/19/956955719.db2.gz LOELJJQTFUFWDW-INIZCTEOSA-N -1 1 310.463 3.517 20 0 DHADMM C[C@@](NCc1ccccc1Cl)(C(=O)[O-])c1ccc(F)cc1 ZINC000041753474 957392987 /nfs/dbraw/zinc/39/29/87/957392987.db2.gz AGMQSBVNPGWDAJ-INIZCTEOSA-N -1 1 307.752 3.569 20 0 DHADMM C[C@@H](c1ccc(Cl)cc1)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000086773134 957987197 /nfs/dbraw/zinc/98/71/97/957987197.db2.gz HRHMMOKECCXDET-TVQRCGJNSA-N -1 1 321.726 3.740 20 0 DHADMM Cc1cnc(C(=O)N2CC[C@H](CC(C)(C)C)C2(C)C)c([O-])c1 ZINC001626303117 1013201323 /nfs/dbraw/zinc/20/13/23/1013201323.db2.gz AMWQVXSPOWTJRR-CYBMUJFWSA-N -1 1 304.434 3.773 20 0 DHADMM C[C@@H](Cc1ccccc1Cl)NC(=O)c1cc(F)ccc1[O-] ZINC001625850013 1013234436 /nfs/dbraw/zinc/23/44/36/1013234436.db2.gz SMOINFDVCXVEJP-JTQLQIEISA-N -1 1 307.752 3.546 20 0 DHADMM Cc1ccccc1[C@@]1(F)CCN(Cc2cccc(C(=O)[O-])c2)C1 ZINC000263403419 962567567 /nfs/dbraw/zinc/56/75/67/962567567.db2.gz IWGIVBFLUXALMB-LJQANCHMSA-N -1 1 313.372 3.764 20 0 DHADMM O=C([O-])[C@H]1CCCCN1Cc1ccc(-c2ccc(F)cc2)o1 ZINC000263441701 962621509 /nfs/dbraw/zinc/62/15/09/962621509.db2.gz WRDKYSDAYWYWCA-OAHLLOKOSA-N -1 1 303.333 3.525 20 0 DHADMM Fc1ccc2nc([N-][C@H](C[C@H]3CCCO3)C(F)(F)F)oc2c1 ZINC000894435190 1013360582 /nfs/dbraw/zinc/36/05/82/1013360582.db2.gz LYXCKZBTQFSMJM-BXKDBHETSA-N -1 1 318.270 3.879 20 0 DHADMM CCc1nc(SC[C@H]2CCCCC2(F)F)[n-]c(=O)c1C ZINC000519544830 1013374135 /nfs/dbraw/zinc/37/41/35/1013374135.db2.gz HOYNFOQXZIFZHN-SNVBAGLBSA-N -1 1 302.390 3.971 20 0 DHADMM C[C@H]1CN(Cc2c(Cl)cccc2Cl)CC[C@H]1C(=O)[O-] ZINC000302477232 963088745 /nfs/dbraw/zinc/08/87/45/963088745.db2.gz GXYCCUBXOWNDLE-VHSXEESVSA-N -1 1 302.201 3.536 20 0 DHADMM O=c1cc(NC(CCC(F)(F)F)CCC(F)(F)F)nc[n-]1 ZINC000894578640 1013420433 /nfs/dbraw/zinc/42/04/33/1013420433.db2.gz XXUPRALCFUCPJY-UHFFFAOYSA-N -1 1 317.233 3.648 20 0 DHADMM C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2)CC[C@H]1C(=O)[O-] ZINC000311609973 963496135 /nfs/dbraw/zinc/49/61/35/963496135.db2.gz QESNFIGWBAYSPJ-TVQRCGJNSA-N -1 1 302.201 3.536 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1SCCc2sccc21 ZINC000340330903 1013497512 /nfs/dbraw/zinc/49/75/12/1013497512.db2.gz NAWVESWLCBZGSJ-CYBMUJFWSA-N -1 1 309.387 3.562 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000340332683 1013499233 /nfs/dbraw/zinc/49/92/33/1013499233.db2.gz YPHUJDGOUQKIHA-GHMZBOCLSA-N -1 1 307.271 3.552 20 0 DHADMM Cc1cnc(SCC[C@@H](C)OCc2ccccc2)[n-]c1=O ZINC000519610127 1013534008 /nfs/dbraw/zinc/53/40/08/1013534008.db2.gz JABHQJFSDHVKGJ-CYBMUJFWSA-N -1 1 304.415 3.578 20 0 DHADMM O=C(N[C@H](c1ccccc1)C(F)(F)F)c1c([O-])cccc1F ZINC000547859144 1013541689 /nfs/dbraw/zinc/54/16/89/1013541689.db2.gz DYQNJAFONGAOFN-CYBMUJFWSA-N -1 1 313.250 3.565 20 0 DHADMM [O-]c1cccc(CN[C@H](C[C@@H]2CCCO2)C(F)(F)F)c1Cl ZINC000655854459 1013785164 /nfs/dbraw/zinc/78/51/64/1013785164.db2.gz VTIWZZUPLUHBBT-CMPLNLGQSA-N -1 1 323.742 3.635 20 0 DHADMM Cc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000683647890 1013806199 /nfs/dbraw/zinc/80/61/99/1013806199.db2.gz NKGHATYKUCJXLR-CYBMUJFWSA-N -1 1 301.361 3.543 20 0 DHADMM CC(C)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC001137572602 1013827297 /nfs/dbraw/zinc/82/72/97/1013827297.db2.gz AOKYIEVBXIDASC-LBPRGKRZSA-N -1 1 317.216 3.510 20 0 DHADMM CC(F)(F)c1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000188562660 1013882538 /nfs/dbraw/zinc/88/25/38/1013882538.db2.gz UBDWJGVWHQVGJU-UHFFFAOYSA-N -1 1 315.316 3.738 20 0 DHADMM CCOc1cc(C(=O)NC[C@H]2CC[C@@H](C)C2)cc(Cl)c1[O-] ZINC000334071055 1013885176 /nfs/dbraw/zinc/88/51/76/1013885176.db2.gz XCZGZRCIYKQRQG-MNOVXSKESA-N -1 1 311.809 3.610 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@H](c2cccnc2)C1 ZINC000622736108 1014086499 /nfs/dbraw/zinc/08/64/99/1014086499.db2.gz QMMUVCIRYMHGRJ-KRWDZBQOSA-N -1 1 318.376 3.570 20 0 DHADMM O=S(=O)([N-]c1cc(F)cc(F)c1)c1ccc(F)c(Cl)c1 ZINC000028781196 1014103366 /nfs/dbraw/zinc/10/33/66/1014103366.db2.gz OOPDKYWMYNDRIK-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM CC(C)CN(CCC(=O)[O-])Cc1c(Cl)cccc1Cl ZINC000580456467 1014140593 /nfs/dbraw/zinc/14/05/93/1014140593.db2.gz CTVLIYAMKPXYME-UHFFFAOYSA-N -1 1 304.217 3.926 20 0 DHADMM C[C@@H]1CCCCN1Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000563279178 974525142 /nfs/dbraw/zinc/52/51/42/974525142.db2.gz POGZNGHNWZGPFG-GFCCVEGCSA-N -1 1 316.426 3.883 20 0 DHADMM O=C([O-])c1ccc(CN(CCC(F)(F)F)CC2CC2)c(F)c1 ZINC000565780313 974588802 /nfs/dbraw/zinc/58/88/02/974588802.db2.gz QQLJCIZAEXEARE-UHFFFAOYSA-N -1 1 319.298 3.688 20 0 DHADMM O=C([O-])c1ccoc1CN(Cc1ccc(Cl)cc1)C1CC1 ZINC000568060037 974655767 /nfs/dbraw/zinc/65/57/67/974655767.db2.gz OUMZKAWRDGUWPJ-UHFFFAOYSA-N -1 1 305.761 3.796 20 0 DHADMM C[C@H](c1ccc(F)c(F)c1)N(C)Cc1csc(C(=O)[O-])c1 ZINC000571453447 974729418 /nfs/dbraw/zinc/72/94/18/974729418.db2.gz SGCRTTYWRWOSBQ-SECBINFHSA-N -1 1 311.353 3.918 20 0 DHADMM CCCC[C@H](C(=O)[O-])N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000573259346 974762733 /nfs/dbraw/zinc/76/27/33/974762733.db2.gz SWXVVDUPQWADCZ-CQSZACIVSA-N -1 1 316.228 3.995 20 0 DHADMM CCCC[C@@H](C(=O)[O-])N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000573259345 974762750 /nfs/dbraw/zinc/76/27/50/974762750.db2.gz SWXVVDUPQWADCZ-AWEZNQCLSA-N -1 1 316.228 3.995 20 0 DHADMM Cc1cncc(CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)c1 ZINC000189880700 1014222085 /nfs/dbraw/zinc/22/20/85/1014222085.db2.gz UMXLYQGXNMFPCA-UHFFFAOYSA-N -1 1 323.421 3.741 20 0 DHADMM Cc1oc(CN2CCC[C@H]2c2ccc(F)cc2)cc1C(=O)[O-] ZINC000579240241 974871763 /nfs/dbraw/zinc/87/17/63/974871763.db2.gz GRQXBPINGLLJPH-INIZCTEOSA-N -1 1 303.333 3.762 20 0 DHADMM CSc1ccc(CN(C)Cc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000652374706 975516102 /nfs/dbraw/zinc/51/61/02/975516102.db2.gz ZGYLPKQGTUWRJM-UHFFFAOYSA-N -1 1 305.399 3.640 20 0 DHADMM O=C([O-])[C@@H](NCc1ccc(C2CC2)cc1)c1cc(F)ccc1F ZINC000669471454 976006659 /nfs/dbraw/zinc/00/66/59/976006659.db2.gz MXMBLUFSNNWSOQ-KRWDZBQOSA-N -1 1 317.335 3.758 20 0 DHADMM CC(C)c1[nH]c(CN2CC[C@](C)(C(F)(F)F)C2)cc1C(=O)[O-] ZINC001591912539 976348318 /nfs/dbraw/zinc/34/83/18/976348318.db2.gz OUTAPAMYXUAOIT-AWEZNQCLSA-N -1 1 318.339 3.611 20 0 DHADMM CCOc1cccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000055652156 1014385044 /nfs/dbraw/zinc/38/50/44/1014385044.db2.gz ZOLZPWQMIIYVOD-UHFFFAOYSA-N -1 1 305.399 3.503 20 0 DHADMM O=C(NC1CC(c2ccccc2)C1)c1c([O-])cccc1Cl ZINC000728310689 1014443283 /nfs/dbraw/zinc/44/32/83/1014443283.db2.gz SPLKEWHTKHNYPU-UHFFFAOYSA-N -1 1 301.773 3.722 20 0 DHADMM O=C([O-])[C@@H](NCc1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC000756332280 978698130 /nfs/dbraw/zinc/69/81/30/978698130.db2.gz HRXOFITZRZAGOB-AWEZNQCLSA-N -1 1 311.715 3.534 20 0 DHADMM Cc1cnc(C(=O)N2CCC[C@@H]2CCC2CCCC2)c([O-])c1 ZINC000427738861 1014524895 /nfs/dbraw/zinc/52/48/95/1014524895.db2.gz CEZNBZBBKFLQHY-OAHLLOKOSA-N -1 1 302.418 3.671 20 0 DHADMM Cc1nc(SCc2ncccc2C(F)(F)F)[n-]c(=O)c1C ZINC000428063655 1014575392 /nfs/dbraw/zinc/57/53/92/1014575392.db2.gz UYLIXFLHUWZDLR-UHFFFAOYSA-N -1 1 315.320 3.505 20 0 DHADMM C[C@@]1(C(F)(F)F)CCN(Cc2cc(C(=O)[O-])ccc2Cl)C1 ZINC000872166251 980062666 /nfs/dbraw/zinc/06/26/66/980062666.db2.gz FMEGDSGYQTZGOI-CYBMUJFWSA-N -1 1 321.726 3.813 20 0 DHADMM CC[C@@H](N[C@H](C(=O)[O-])c1ccsc1)c1cc(F)ccc1OC ZINC001595277677 980308209 /nfs/dbraw/zinc/30/82/09/980308209.db2.gz XTZPFAGYLIZCKQ-HIFRSBDPSA-N -1 1 323.389 3.762 20 0 DHADMM CCc1cccc2cc(CN[C@@H](C[C@H](C)CC)C(=O)[O-])oc21 ZINC000901674044 980437186 /nfs/dbraw/zinc/43/71/86/980437186.db2.gz JTWVZZJBAMPPHB-WBMJQRKESA-N -1 1 303.402 3.974 20 0 DHADMM Cc1cc([C@@H](C)NCc2ccc(/C=C/C(=O)[O-])o2)c(C)s1 ZINC000902110732 980739353 /nfs/dbraw/zinc/73/93/53/980739353.db2.gz CQHCDECDUIFELM-XUIVZRPNSA-N -1 1 305.399 3.907 20 0 DHADMM CCc1oc(CN2CCC(OCCC(C)C)CC2)cc1C(=O)[O-] ZINC000902194145 980777930 /nfs/dbraw/zinc/77/79/30/980777930.db2.gz YMTVYOFMEPLJJA-UHFFFAOYSA-N -1 1 323.433 3.567 20 0 DHADMM CCSc1ccc(CNCc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000902336237 980837072 /nfs/dbraw/zinc/83/70/72/980837072.db2.gz KJALILGDANUVPY-UHFFFAOYSA-N -1 1 305.399 3.688 20 0 DHADMM CSc1ccccc1[C@@H](C)NCc1cc(C)c(C(=O)[O-])o1 ZINC000902383322 980865022 /nfs/dbraw/zinc/86/50/22/980865022.db2.gz WDGOBTZXYIQBID-LLVKDONJSA-N -1 1 305.399 3.859 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CN[C@@H](c1ccccc1F)C(C)C ZINC000902382713 980865085 /nfs/dbraw/zinc/86/50/85/980865085.db2.gz TZWIUFHXJAWXBL-MRXNPFEDSA-N -1 1 305.349 3.912 20 0 DHADMM COc1ccccc1[C@@H](CC(C)C)NCc1ccoc1C(=O)[O-] ZINC000902388186 980867110 /nfs/dbraw/zinc/86/71/10/980867110.db2.gz VCPYIKDXEMCERL-OAHLLOKOSA-N -1 1 317.385 3.863 20 0 DHADMM CCc1oc(CN(CCC(F)(F)F)CC2CC2)cc1C(=O)[O-] ZINC000902399805 980871303 /nfs/dbraw/zinc/87/13/03/980871303.db2.gz HLCHWGRTESBMQG-UHFFFAOYSA-N -1 1 319.323 3.705 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CNCc1cccc(OC(C)(C)C)c1 ZINC000902500226 980911721 /nfs/dbraw/zinc/91/17/21/980911721.db2.gz FSFJKZAMGAPLEU-UHFFFAOYSA-N -1 1 317.385 3.753 20 0 DHADMM CCc1nc(SCCCCC2CCOCC2)[n-]c(=O)c1C ZINC000581321373 1014704933 /nfs/dbraw/zinc/70/49/33/1014704933.db2.gz JBFQYBFQZRZOLW-UHFFFAOYSA-N -1 1 310.463 3.742 20 0 DHADMM COc1ccc([C@@H](C)NCc2ccc(/C=C/C(=O)[O-])o2)cc1C ZINC000905769276 981146758 /nfs/dbraw/zinc/14/67/58/981146758.db2.gz DSOUXLREQGHVMJ-BUUCAEBMSA-N -1 1 315.369 3.545 20 0 DHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc2ccoc2c1 ZINC000442841156 1014746778 /nfs/dbraw/zinc/74/67/78/1014746778.db2.gz FVYDMTZYABLBHT-UHFFFAOYSA-N -1 1 305.330 3.681 20 0 DHADMM CC(C)C1CCC(CNC(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000521687248 1014775791 /nfs/dbraw/zinc/77/57/91/1014775791.db2.gz QSYXMAWUPYIAAH-UHFFFAOYSA-N -1 1 311.372 3.863 20 0 DHADMM CC[C@@H](C)[C@@H](C(=O)[O-])N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC001594874770 982205675 /nfs/dbraw/zinc/20/56/75/982205675.db2.gz YJDCFHJLNNEKTB-BZNIZROVSA-N -1 1 320.820 3.610 20 0 DHADMM COc1cc(C(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)cc(Cl)c1[O-] ZINC000443108490 1014816120 /nfs/dbraw/zinc/81/61/20/1014816120.db2.gz MXGIFJRRBVLMOF-JBLDHEPKSA-N -1 1 311.809 3.609 20 0 DHADMM COc1cc(-c2nc(Cc3cccs3)no2)cc(Cl)c1[O-] ZINC000443095172 1014817215 /nfs/dbraw/zinc/81/72/15/1014817215.db2.gz QXHJEQJKSUBLNT-UHFFFAOYSA-N -1 1 322.773 3.757 20 0 DHADMM COc1cc(-c2nc(-c3ccccc3)no2)cc(Cl)c1[O-] ZINC000443084462 1014810953 /nfs/dbraw/zinc/81/09/53/1014810953.db2.gz GSTJUSOGCQCSBQ-UHFFFAOYSA-N -1 1 302.717 3.771 20 0 DHADMM CCCCCCN(Cc1ccco1)Cc1cncc(C(=O)[O-])c1 ZINC001595708881 982288298 /nfs/dbraw/zinc/28/82/98/982288298.db2.gz JOPLWOFXNFDQKI-UHFFFAOYSA-N -1 1 316.401 3.955 20 0 DHADMM CC[C@@H](C)CCCCC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001594959527 982707798 /nfs/dbraw/zinc/70/77/98/982707798.db2.gz XIEUBTJBKOWFQE-LLVKDONJSA-N -1 1 317.389 3.806 20 0 DHADMM CCCN(Cc1csc(C(=O)[O-])c1)Cc1ccccc1F ZINC001595890752 982922035 /nfs/dbraw/zinc/92/20/35/982922035.db2.gz CFXXLMIXSGEPNR-UHFFFAOYSA-N -1 1 307.390 3.998 20 0 DHADMM Cc1nc(SCC(=O)C2CCCCC2)[n-]c(=O)c1C1CC1 ZINC000631023861 1014914948 /nfs/dbraw/zinc/91/49/48/1014914948.db2.gz GMGNIBVOHLSJOJ-UHFFFAOYSA-N -1 1 306.431 3.610 20 0 DHADMM CCCc1ccc(CNCc2ccc(Cl)c(C(=O)[O-])n2)cc1 ZINC001596065485 983380992 /nfs/dbraw/zinc/38/09/92/983380992.db2.gz ZDCBKNFNVOIOJT-UHFFFAOYSA-N -1 1 318.804 3.676 20 0 DHADMM C[C@H]1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC001626758594 1014956220 /nfs/dbraw/zinc/95/62/20/1014956220.db2.gz IVTOAJKKDRUEAM-UWVGGRQHSA-N -1 1 301.308 3.577 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H]1Cc1cccc(F)c1 ZINC000094017948 1015001782 /nfs/dbraw/zinc/00/17/82/1015001782.db2.gz IGJISDAHUAFEJO-HNNXBMFYSA-N -1 1 317.335 3.518 20 0 DHADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@@H]1C1CCC1 ZINC000094105860 1015020854 /nfs/dbraw/zinc/02/08/54/1015020854.db2.gz PALPKKHRIUGSTI-CYBMUJFWSA-N -1 1 324.218 3.559 20 0 DHADMM O=C(CCCOCCc1ccccc1)Nc1c([O-])cccc1F ZINC000605439966 1015042547 /nfs/dbraw/zinc/04/25/47/1015042547.db2.gz ZBOHDNYDKNETQN-UHFFFAOYSA-N -1 1 317.360 3.509 20 0 DHADMM O=C([O-])[C@@H](c1c(F)cccc1Cl)[N@H+]1CCC[C@@H](CCF)C1 ZINC000656764298 1015133690 /nfs/dbraw/zinc/13/36/90/1015133690.db2.gz XBVUMQYOSNBSBS-IINYFYTJSA-N -1 1 317.763 3.676 20 0 DHADMM O=C(Nc1ccccc1F)c1cc(Br)ccc1[O-] ZINC000011639332 1015142381 /nfs/dbraw/zinc/14/23/81/1015142381.db2.gz HMZPAKYVCQRLMK-UHFFFAOYSA-N -1 1 310.122 3.546 20 0 DHADMM Cc1[nH]c(CN2CCC(c3ccccc3F)CC2)cc1C(=O)[O-] ZINC001599962233 985807201 /nfs/dbraw/zinc/80/72/01/985807201.db2.gz DZJMEMOXQPWEFZ-UHFFFAOYSA-N -1 1 316.376 3.540 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000729540666 1015165162 /nfs/dbraw/zinc/16/51/62/1015165162.db2.gz KJAWFICFFAXZHW-GFCCVEGCSA-N -1 1 319.763 3.814 20 0 DHADMM O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccccc1[O-] ZINC000011917847 1015168452 /nfs/dbraw/zinc/16/84/52/1015168452.db2.gz UJMHGMYDXBCWNW-UHFFFAOYSA-N -1 1 311.337 3.686 20 0 DHADMM CC(C)(C)c1csc(CNC(=O)c2c([O-])cccc2Cl)n1 ZINC000729541611 1015183251 /nfs/dbraw/zinc/18/32/51/1015183251.db2.gz GUVHQVYZRKVJTE-UHFFFAOYSA-N -1 1 324.833 3.730 20 0 DHADMM CCOC[C@H]1CCCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000313466408 1015188029 /nfs/dbraw/zinc/18/80/29/1015188029.db2.gz YXYTYMSHFKQBSQ-MRXNPFEDSA-N -1 1 313.397 3.577 20 0 DHADMM CCOc1cccc([C@@H](C)NCc2ccc(C(=O)[O-])cc2F)c1 ZINC001597150181 986925563 /nfs/dbraw/zinc/92/55/63/986925563.db2.gz ONQODPVHWGOZRX-GFCCVEGCSA-N -1 1 317.360 3.773 20 0 DHADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1csc(C2CCCCC2)n1 ZINC000581725911 1015271903 /nfs/dbraw/zinc/27/19/03/1015271903.db2.gz NUYWDPKFNKNGGJ-GXTWGEPZSA-N -1 1 322.474 3.876 20 0 DHADMM C[C@H](C[N@@H+](C)Cc1cccc(C(=O)[O-])c1Cl)c1nccs1 ZINC000581731766 1015277059 /nfs/dbraw/zinc/27/70/59/1015277059.db2.gz OLDGGKYGBFMXEN-SNVBAGLBSA-N -1 1 324.833 3.730 20 0 DHADMM Cc1ccc(OC(F)F)c(CSc2ncc(C)c(=O)[n-]2)c1 ZINC000581737680 1015285059 /nfs/dbraw/zinc/28/50/59/1015285059.db2.gz OEGZXVQHKUGDPW-UHFFFAOYSA-N -1 1 312.341 3.693 20 0 DHADMM CC[C@@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1ccc(F)cc1 ZINC001597291584 987379680 /nfs/dbraw/zinc/37/96/80/987379680.db2.gz MMGYVLBIDZUFPV-HZPDHXFCSA-N -1 1 305.324 3.831 20 0 DHADMM CC(=O)c1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)c(F)c1 ZINC000780992031 1015311564 /nfs/dbraw/zinc/31/15/64/1015311564.db2.gz QGRCISROCFIRLE-UHFFFAOYSA-N -1 1 307.708 3.640 20 0 DHADMM CCc1[nH]c(C[N@@H+](C)Cc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC001597380227 987570288 /nfs/dbraw/zinc/57/02/88/987570288.db2.gz BAEIZMKSEJHJNH-UHFFFAOYSA-N -1 1 306.793 3.561 20 0 DHADMM CCc1[nH]c(CN(C)Cc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC001597380227 987570294 /nfs/dbraw/zinc/57/02/94/987570294.db2.gz BAEIZMKSEJHJNH-UHFFFAOYSA-N -1 1 306.793 3.561 20 0 DHADMM CCc1[nH]c(CN2CC[C@@H](C)C[C@@H]2c2ccco2)cc1C(=O)[O-] ZINC001597384247 987586771 /nfs/dbraw/zinc/58/67/71/987586771.db2.gz ISJTWARUWNPWBE-MLGOLLRUSA-N -1 1 316.401 3.842 20 0 DHADMM CCc1[nH]c(CN2CC[C@H](C)[C@H]3CCCC[C@@H]32)cc1C(=O)[O-] ZINC001597385001 987593017 /nfs/dbraw/zinc/59/30/17/987593017.db2.gz PHHOLSPMMNWZBN-QEORTHHSSA-N -1 1 304.434 3.676 20 0 DHADMM CCc1ccc([C@H](C)NCc2nc3cc(C(=O)[O-])ccc3[nH]2)cc1 ZINC001597563296 988314169 /nfs/dbraw/zinc/31/41/69/988314169.db2.gz HUDDCZATOSKHJJ-LBPRGKRZSA-N -1 1 323.396 3.674 20 0 DHADMM CSc1ccccc1[C@@H](C)NCc1ccc(/C=C/C(=O)[O-])o1 ZINC001599826598 988607383 /nfs/dbraw/zinc/60/73/83/988607383.db2.gz VLXRDAZLVIRMCL-BZYZDCJZSA-N -1 1 317.410 3.950 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN1C[C@H](C)C[C@H]1c1cccnc1 ZINC001597762646 989197572 /nfs/dbraw/zinc/19/75/72/989197572.db2.gz IHCZVJAYVAPGNI-DOMZBBRYSA-N -1 1 314.385 3.518 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN1CC[C@](F)(c2ccccc2)C1 ZINC001597763184 989202942 /nfs/dbraw/zinc/20/29/42/989202942.db2.gz QVUKVIZIETZNCY-GOSISDBHSA-N -1 1 317.360 3.611 20 0 DHADMM CCc1oc(CN[C@H](CC)c2ccc(F)cc2)cc1C(=O)[O-] ZINC001597804649 989407682 /nfs/dbraw/zinc/40/76/82/989407682.db2.gz IDMFJGYHBOWQJM-OAHLLOKOSA-N -1 1 305.349 3.920 20 0 DHADMM CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(Cl)ccc1OC ZINC000581922723 1015553437 /nfs/dbraw/zinc/55/34/37/1015553437.db2.gz RVOWSTHEGUIPHG-LLVKDONJSA-N -1 1 305.827 3.669 20 0 DHADMM COc1ccc(-c2noc([N-][C@@H]3CCCc4cccnc43)n2)cc1 ZINC000896411766 1015573947 /nfs/dbraw/zinc/57/39/47/1015573947.db2.gz FUUMQELPBQDXDT-OAHLLOKOSA-N -1 1 322.368 3.630 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCC[C@H]1C(C)(C)C ZINC000840540257 1015592785 /nfs/dbraw/zinc/59/27/85/1015592785.db2.gz RUIPCNAGWPDSDP-OLZOCXBDSA-N -1 1 319.449 3.559 20 0 DHADMM O=C(N[C@H]1CC[C@H](c2cccc(F)c2)C1)c1ccc([O-])c(F)c1 ZINC000684513561 1015624038 /nfs/dbraw/zinc/62/40/38/1015624038.db2.gz HQPAHNQJGFNOPY-WFASDCNBSA-N -1 1 317.335 3.737 20 0 DHADMM CC(C)CN(CCC(=O)[O-])Cc1cc(Cl)sc1Cl ZINC001591331453 992304190 /nfs/dbraw/zinc/30/41/90/992304190.db2.gz KZUKIVWPIMFFSF-UHFFFAOYSA-N -1 1 310.246 3.988 20 0 DHADMM CN(Cc1cccc(F)c1)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC001598526146 992723444 /nfs/dbraw/zinc/72/34/44/992723444.db2.gz NXXDTJXCFUQARH-UHFFFAOYSA-N -1 1 307.752 3.809 20 0 DHADMM CC(C)(C)[C@H]1CN(C(=O)c2ccc(O)cc2[O-])c2ccccc21 ZINC000443861186 1015777213 /nfs/dbraw/zinc/77/72/13/1015777213.db2.gz QGDVBKKVXBWDRB-HNNXBMFYSA-N -1 1 311.381 3.888 20 0 DHADMM CC(C)[C@@H](N[C@@H](C)c1cncc(C(=O)[O-])c1)c1ccccc1F ZINC001593211085 994259324 /nfs/dbraw/zinc/25/93/24/994259324.db2.gz VNSMYJPCEVPAAZ-YVEFUNNKSA-N -1 1 316.376 3.967 20 0 DHADMM C[C@@H](N[C@@H]1CCCc2c(F)cccc21)c1cc(C(=O)[O-])co1 ZINC001593218621 994289280 /nfs/dbraw/zinc/28/92/80/994289280.db2.gz JTZYZOKACNDIGK-MEBBXXQBSA-N -1 1 303.333 3.845 20 0 DHADMM C[C@H](N[C@H]1CCSc2ccccc21)c1cc(C(=O)[O-])co1 ZINC001593231304 994372925 /nfs/dbraw/zinc/37/29/25/994372925.db2.gz JEKARSAJEHRXSM-GWCFXTLKSA-N -1 1 303.383 3.866 20 0 DHADMM C[C@@H](N[C@@H]1CCOc2ccc(F)cc21)c1cc(C(=O)[O-])cs1 ZINC001593233904 994394939 /nfs/dbraw/zinc/39/49/39/994394939.db2.gz UKPQIBYRWCXBMQ-NOZJJQNGSA-N -1 1 321.373 3.760 20 0 DHADMM O=C(c1nc[n-]c1-c1nc(C2CCCCC2)no1)c1ccccc1 ZINC000684610429 1015880124 /nfs/dbraw/zinc/88/01/24/1015880124.db2.gz VXVNTNAUNTVFIG-UHFFFAOYSA-N -1 1 322.368 3.738 20 0 DHADMM C[C@@H](NCc1cc(C2CC2)ccc1F)c1cncc(C(=O)[O-])c1 ZINC001593293646 994685474 /nfs/dbraw/zinc/68/54/74/994685474.db2.gz WMUJMYXVQIFZPL-LLVKDONJSA-N -1 1 314.360 3.647 20 0 DHADMM CC1(C)CCC(C)(C)N(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)C1 ZINC001593873773 996684540 /nfs/dbraw/zinc/68/45/40/996684540.db2.gz ADNORYBLDNBYEI-UHFFFAOYSA-N -1 1 315.417 3.662 20 0 DHADMM COc1ccccc1N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000320338873 1016100535 /nfs/dbraw/zinc/10/05/35/1016100535.db2.gz BKEHMAAEWWQZCG-UHFFFAOYSA-N -1 1 307.349 3.831 20 0 DHADMM CCc1cc(=O)[n-]c(SCC[C@H]2CCc3ccccc32)n1 ZINC000657256884 1016118419 /nfs/dbraw/zinc/11/84/19/1016118419.db2.gz MDWRGWOJFSELDL-CYBMUJFWSA-N -1 1 300.427 3.957 20 0 DHADMM COc1ccc(C(C)C)cc1CSc1ncc(C)c(=O)[n-]1 ZINC000657261831 1016128798 /nfs/dbraw/zinc/12/87/98/1016128798.db2.gz GCKLCGYNUSNKFC-UHFFFAOYSA-N -1 1 304.415 3.915 20 0 DHADMM CCc1nc(SC[C@H](OC)c2ccccc2)[n-]c(=O)c1C ZINC000657263755 1016136303 /nfs/dbraw/zinc/13/63/03/1016136303.db2.gz CHYAWCHAFZIBDB-AWEZNQCLSA-N -1 1 304.415 3.533 20 0 DHADMM CCc1nc(SCCc2c(F)cccc2F)[n-]c(=O)c1C ZINC000657264543 1016138012 /nfs/dbraw/zinc/13/80/12/1016138012.db2.gz UTFFMLMIMJZPSU-UHFFFAOYSA-N -1 1 310.369 3.666 20 0 DHADMM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001594168249 998648965 /nfs/dbraw/zinc/64/89/65/998648965.db2.gz VASNJHFMQCJWPR-UFBFGSQYSA-N -1 1 321.726 3.654 20 0 DHADMM C[C@H]1[C@@H](C(F)(F)F)CCCN1Cc1cc(C(=O)[O-])cs1 ZINC001594172061 998660863 /nfs/dbraw/zinc/66/08/63/998660863.db2.gz CFXRLCDBSPIQIL-KWQFWETISA-N -1 1 307.337 3.609 20 0 DHADMM C[C@@H]1C[C@H](c2cccnc2)N(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC001594272702 999056216 /nfs/dbraw/zinc/05/62/16/999056216.db2.gz TVLQOVXVHLNKDH-SJKOYZFVSA-N -1 1 314.360 3.502 20 0 DHADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(CC)cc2)cc1F ZINC000071977991 1016318920 /nfs/dbraw/zinc/31/89/20/1016318920.db2.gz HNFKYTTYNVTNSA-UHFFFAOYSA-N -1 1 323.389 3.588 20 0 DHADMM Cc1oc(C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)cc1C(=O)[O-] ZINC000563282116 1016498827 /nfs/dbraw/zinc/49/88/27/1016498827.db2.gz FPDBXCRTYMKOHE-SCOAYWHSSA-N -1 1 311.381 3.964 20 0 DHADMM Cc1nc(SCc2cc(F)cc3cccnc32)[n-]c(=O)c1C ZINC000346716560 1016524052 /nfs/dbraw/zinc/52/40/52/1016524052.db2.gz PHYYZWWRMKGHBS-UHFFFAOYSA-N -1 1 315.373 3.779 20 0 DHADMM C[C@H]1CCCC[C@H]1C(=O)Nc1cccc([O-])c1Br ZINC000908706365 1036485305 /nfs/dbraw/zinc/48/53/05/1036485305.db2.gz AEWDIRMOMNXRJS-VHSXEESVSA-N -1 1 312.207 3.920 20 0 DHADMM O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000336864409 1016727277 /nfs/dbraw/zinc/72/72/77/1016727277.db2.gz NSHNCWCSIMTXKR-HNNXBMFYSA-N -1 1 314.385 3.561 20 0 DHADMM CC[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684868922 1016743349 /nfs/dbraw/zinc/74/33/49/1016743349.db2.gz JVJXGHFKGMGIDX-NSHDSACASA-N -1 1 301.308 3.816 20 0 DHADMM CCC1(CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)CCC1 ZINC000684875061 1016766465 /nfs/dbraw/zinc/76/64/65/1016766465.db2.gz ALENBQSYGGHXJJ-UHFFFAOYSA-N -1 1 301.308 3.721 20 0 DHADMM CC(C)C1(CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)CC1 ZINC000684875122 1016767533 /nfs/dbraw/zinc/76/75/33/1016767533.db2.gz CBDWFVHSEQMKBD-UHFFFAOYSA-N -1 1 301.308 3.577 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1OC(C)C ZINC000614732151 1016991716 /nfs/dbraw/zinc/99/17/16/1016991716.db2.gz HFQAMEIOQURBPJ-UHFFFAOYSA-N -1 1 323.389 3.722 20 0 DHADMM Cc1ccccc1[C@@H](NC(=O)c1ccc([O-])cc1F)C(C)C ZINC001145060975 1032190491 /nfs/dbraw/zinc/19/04/91/1032190491.db2.gz ZEGJTNMHVGRBPF-KRWDZBQOSA-N -1 1 301.361 3.967 20 0 DHADMM COc1cc(C(=O)[N-]c2cc3sc(C)nc3cc2Cl)on1 ZINC000362050032 1032210841 /nfs/dbraw/zinc/21/08/41/1032210841.db2.gz KOJIIXMEFCTACS-UHFFFAOYSA-N -1 1 323.761 3.507 20 0 DHADMM CN(CCc1ccc(F)cc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000055368556 1032217472 /nfs/dbraw/zinc/21/74/72/1032217472.db2.gz RLMQDVZATPYFFI-UHFFFAOYSA-N -1 1 323.367 3.999 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1ccc(OC(F)F)cc1F ZINC001146492650 1032220226 /nfs/dbraw/zinc/22/02/26/1032220226.db2.gz OIYZIKOFPNYCRW-UHFFFAOYSA-N -1 1 315.222 3.524 20 0 DHADMM C[C@@H]1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)[C@H](C)C1 ZINC001146812300 1032248786 /nfs/dbraw/zinc/24/87/86/1032248786.db2.gz FXNNKMDLTHXAQJ-GIPNMCIBSA-N -1 1 315.335 3.966 20 0 DHADMM CCCCOCCSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000118956083 1032256869 /nfs/dbraw/zinc/25/68/69/1032256869.db2.gz MIGWPPQPKZGLCJ-UHFFFAOYSA-N -1 1 318.442 3.654 20 0 DHADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000058016215 1032335381 /nfs/dbraw/zinc/33/53/81/1032335381.db2.gz NYZFMQOQICKDPG-UHFFFAOYSA-N -1 1 317.410 3.635 20 0 DHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)c1cccnc1F ZINC001148251988 1032377287 /nfs/dbraw/zinc/37/72/87/1032377287.db2.gz FEIQHBCAZTWXDZ-UHFFFAOYSA-N -1 1 316.719 3.985 20 0 DHADMM CC[C@@H](C)CN(CC)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC001148850491 1032447336 /nfs/dbraw/zinc/44/73/36/1032447336.db2.gz FMTSJPCDCWJCFO-LLVKDONJSA-N -1 1 304.365 3.588 20 0 DHADMM CC(=O)CC(C)(C)NC(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148871629 1032449985 /nfs/dbraw/zinc/44/99/85/1032449985.db2.gz BECJYQJWSQPQSB-UHFFFAOYSA-N -1 1 311.381 3.547 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H]1c1ccncc1 ZINC000093913236 1032566403 /nfs/dbraw/zinc/56/64/03/1032566403.db2.gz UQCYYKQHWFSJHB-SFHVURJKSA-N -1 1 318.376 3.918 20 0 DHADMM CC[C@H](C)C[C@@H](C)NC(=O)c1ccc(Br)cc1[O-] ZINC000088302046 1011927123 /nfs/dbraw/zinc/92/71/23/1011927123.db2.gz SCUFKEARMISRPI-VHSXEESVSA-N -1 1 314.223 3.709 20 0 DHADMM O=C([O-])CC[C@@H]1CCCCN1Cc1ncc(-c2cccs2)o1 ZINC000424267400 1011955170 /nfs/dbraw/zinc/95/51/70/1011955170.db2.gz YHAUFGKFAHVXAF-LBPRGKRZSA-N -1 1 320.414 3.622 20 0 DHADMM CC(C)CCc1nc(CN2CCCC[C@H]2CCC(=O)[O-])cs1 ZINC000424267715 1011957775 /nfs/dbraw/zinc/95/77/75/1011957775.db2.gz YIUYJUJYXVGPEY-HNNXBMFYSA-N -1 1 324.490 3.951 20 0 DHADMM C[C@H]1CCCN(Cc2ccc(-c3ccccc3F)o2)[C@@H]1C(=O)[O-] ZINC000424417985 1012019163 /nfs/dbraw/zinc/01/91/63/1012019163.db2.gz MZEQVDBAZYNSGQ-SJCJKPOMSA-N -1 1 317.360 3.771 20 0 DHADMM CCc1[n-]n(-c2cc(Cl)nc3ncccc23)c(=O)c1C(C)C ZINC000887294573 1032603310 /nfs/dbraw/zinc/60/33/10/1032603310.db2.gz FCGLQDSMBLWPGJ-AWEZNQCLSA-N -1 1 316.792 3.668 20 0 DHADMM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1[O-] ZINC001137243343 1032612344 /nfs/dbraw/zinc/61/23/44/1032612344.db2.gz BFIZCCCUIQNZJK-GXTWGEPZSA-N -1 1 313.850 3.840 20 0 DHADMM Cc1sc(C)c2c1[n-]c(C[C@@H]1COc3ccccc31)nc2=O ZINC000887319218 1032628538 /nfs/dbraw/zinc/62/85/38/1032628538.db2.gz OWIGTXUKAWDBFB-LLVKDONJSA-N -1 1 312.394 3.732 20 0 DHADMM CN(C(=O)c1ccc([O-])c(F)c1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000655208265 1012564513 /nfs/dbraw/zinc/56/45/13/1012564513.db2.gz PRYQLHIHMLNECT-NVXWUHKLSA-N -1 1 313.372 3.940 20 0 DHADMM C[C@@H]1CCCC[C@@H]1CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000516840608 1012842993 /nfs/dbraw/zinc/84/29/93/1012842993.db2.gz CSUBWOZFVYQBTO-TZMCWYRMSA-N -1 1 313.401 3.937 20 0 DHADMM Cc1cccc([N-]S(=O)(=O)c2cnc3ccsc3c2)c1F ZINC000342778364 1017220113 /nfs/dbraw/zinc/22/01/13/1017220113.db2.gz LJIOWSVBWNBKPF-UHFFFAOYSA-N -1 1 322.386 3.545 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@H](C2CCC2)C1 ZINC000665683315 1017287598 /nfs/dbraw/zinc/28/75/98/1017287598.db2.gz URFOTFJFYBBWBP-NSHDSACASA-N -1 1 313.319 3.673 20 0 DHADMM Cc1cccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1F ZINC000180021632 1017349626 /nfs/dbraw/zinc/34/96/26/1017349626.db2.gz OBHHQHQVJYLQJA-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM COc1ccc(C(=O)Nc2cccc(C(C)(F)F)c2)c([O-])c1 ZINC000444445949 1017514294 /nfs/dbraw/zinc/51/42/94/1017514294.db2.gz RSMHCIYDKJEGRT-UHFFFAOYSA-N -1 1 307.296 3.765 20 0 DHADMM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[N-]c1cnoc1 ZINC000623943049 1017598003 /nfs/dbraw/zinc/59/80/03/1017598003.db2.gz CVQWIGOSEZVDHI-UHFFFAOYSA-N -1 1 321.695 3.683 20 0 DHADMM COc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2C)cc(Cl)c1[O-] ZINC000153545636 1017793845 /nfs/dbraw/zinc/79/38/45/1017793845.db2.gz SPZSMJFGFXUUOW-GWCFXTLKSA-N -1 1 311.809 3.705 20 0 DHADMM CSc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1 ZINC000033711829 1017857385 /nfs/dbraw/zinc/85/73/85/1017857385.db2.gz YGKNJEDIEMNTTL-UHFFFAOYSA-N -1 1 311.403 3.657 20 0 DHADMM Cc1cc(-c2nc(-c3ccc([O-])cc3F)no2)nn1C(C)(C)C ZINC000445466047 1017869910 /nfs/dbraw/zinc/86/99/10/1017869910.db2.gz WFYJQMWTAGYUKM-UHFFFAOYSA-N -1 1 316.336 3.508 20 0 DHADMM [O-]c1ccc(-c2noc(-c3ccc(OC(F)F)cc3)n2)cc1F ZINC000445477786 1017872369 /nfs/dbraw/zinc/87/23/69/1017872369.db2.gz AQYGLBYEOFDDRL-UHFFFAOYSA-N -1 1 322.242 3.850 20 0 DHADMM C[C@H](Oc1ccc(F)cc1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445477700 1017876425 /nfs/dbraw/zinc/87/64/25/1017876425.db2.gz OZFGEJMWDFGSEP-VIFPVBQESA-N -1 1 318.279 3.860 20 0 DHADMM CCc1ccsc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000343006111 1017977642 /nfs/dbraw/zinc/97/76/42/1017977642.db2.gz DMBKSSQNZSIJBT-UHFFFAOYSA-N -1 1 313.382 3.659 20 0 DHADMM COc1cc(C(=O)N(C(C)C)C2CCCC2)cc(Cl)c1[O-] ZINC000153758248 1018009473 /nfs/dbraw/zinc/00/94/73/1018009473.db2.gz OFSNOLACXNFAML-UHFFFAOYSA-N -1 1 311.809 3.847 20 0 DHADMM O=C(Nc1ccc(-c2cnco2)cc1)c1c(F)ccc([O-])c1F ZINC000343072396 1018089698 /nfs/dbraw/zinc/08/96/98/1018089698.db2.gz PANMDTWZCGFZRV-UHFFFAOYSA-N -1 1 316.263 3.578 20 0 DHADMM CC[C@H]1C[C@@H](Cc2nc(-c3ccc([O-])cc3Cl)no2)CCO1 ZINC000278215245 1018379254 /nfs/dbraw/zinc/37/92/54/1018379254.db2.gz QOCYHGHRQHPJDM-JQWIXIFHSA-N -1 1 322.792 3.843 20 0 DHADMM Cc1ccc(NC(=O)c2ccc([O-])cc2F)cc1N1CCCC1 ZINC000874944653 1032768440 /nfs/dbraw/zinc/76/84/40/1032768440.db2.gz QFYPYCUQJNAXPH-UHFFFAOYSA-N -1 1 314.360 3.692 20 0 DHADMM CC(=O)[C@@H](C)CCCCc1nc(-c2ccc([O-])cc2F)no1 ZINC000278334334 1018578359 /nfs/dbraw/zinc/57/83/59/1018578359.db2.gz ZWOJBSYWQPIYTR-JTQLQIEISA-N -1 1 306.337 3.519 20 0 DHADMM CCn1cccc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC001137838139 1018677962 /nfs/dbraw/zinc/67/79/62/1018677962.db2.gz HZVMVPNUKLFZBR-UHFFFAOYSA-N -1 1 323.190 3.537 20 0 DHADMM CC[N@@H+](Cc1csc(C(C)(C)C)n1)C1CCC(C(=O)[O-])CC1 ZINC000566747548 1018736023 /nfs/dbraw/zinc/73/60/23/1018736023.db2.gz DZOFALSVFHKYRP-UHFFFAOYSA-N -1 1 324.490 3.906 20 0 DHADMM CCN(Cc1csc(C(C)(C)C)n1)C1CCC(C(=O)[O-])CC1 ZINC000566747548 1018736033 /nfs/dbraw/zinc/73/60/33/1018736033.db2.gz DZOFALSVFHKYRP-UHFFFAOYSA-N -1 1 324.490 3.906 20 0 DHADMM O=C([O-])C[C@@H](NCc1ccsc1Cl)c1cccs1 ZINC000312624003 1018808423 /nfs/dbraw/zinc/80/84/23/1018808423.db2.gz MPQVEVPFKDKDBZ-SECBINFHSA-N -1 1 301.820 3.769 20 0 DHADMM O=C([O-])c1ccc(Cl)c(CN2CCC[C@@H](OC3CCC3)C2)c1 ZINC000656192224 1018940214 /nfs/dbraw/zinc/94/02/14/1018940214.db2.gz ZFHVKTSAXACFRS-OAHLLOKOSA-N -1 1 323.820 3.572 20 0 DHADMM O=C([O-])CC[C@@H]1CCCC[N@H+]1Cc1coc(-c2cccs2)n1 ZINC000315564935 1032798142 /nfs/dbraw/zinc/79/81/42/1032798142.db2.gz GDUKCOWGABUYJQ-ZDUSSCGKSA-N -1 1 320.414 3.622 20 0 DHADMM O=C([O-])CC[C@@H]1CCCCN1Cc1coc(-c2cccs2)n1 ZINC000315564935 1032798163 /nfs/dbraw/zinc/79/81/63/1032798163.db2.gz GDUKCOWGABUYJQ-ZDUSSCGKSA-N -1 1 320.414 3.622 20 0 DHADMM O=C([N-]Cc1ccc(Cl)s1)C(F)(F)c1ccccc1F ZINC000765615130 1019004691 /nfs/dbraw/zinc/00/46/91/1019004691.db2.gz DHSUTDDIHZWJCU-UHFFFAOYSA-N -1 1 319.735 3.949 20 0 DHADMM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1cccc(Cl)c1 ZINC000007405562 1019027015 /nfs/dbraw/zinc/02/70/15/1019027015.db2.gz IYJZZDPNTQIQMO-UHFFFAOYSA-N -1 1 320.172 3.933 20 0 DHADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)nc2C)c(C)c1 ZINC000387075156 1019043807 /nfs/dbraw/zinc/04/38/07/1019043807.db2.gz RMSKKUHBAXAYGZ-UHFFFAOYSA-N -1 1 324.833 3.769 20 0 DHADMM CCCCc1nc(CN2CCC[C@@](CC)(C(=O)[O-])C2)cs1 ZINC000923470237 1019221532 /nfs/dbraw/zinc/22/15/32/1019221532.db2.gz JRYXBALMRPGIBE-MRXNPFEDSA-N -1 1 310.463 3.563 20 0 DHADMM CCCOc1cccc([N-]S(=O)(=O)c2ccc(CC)cc2)c1 ZINC000032599873 1019242816 /nfs/dbraw/zinc/24/28/16/1019242816.db2.gz PNKVNRCRKUFMQV-UHFFFAOYSA-N -1 1 319.426 3.839 20 0 DHADMM CCCOc1cccc([N-]S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000032599912 1019244631 /nfs/dbraw/zinc/24/46/31/1019244631.db2.gz KYDLAQLKKBBBID-UHFFFAOYSA-N -1 1 323.389 3.724 20 0 DHADMM CCCCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000032548402 1019244712 /nfs/dbraw/zinc/24/47/12/1019244712.db2.gz DMKNCLMCOMCAHQ-UHFFFAOYSA-N -1 1 302.248 3.523 20 0 DHADMM CCCCN(C(=O)c1cncc([O-])c1)[C@H](C)c1ccc(C)o1 ZINC000600974830 1019383818 /nfs/dbraw/zinc/38/38/18/1019383818.db2.gz AHDZOXWDJJYGKM-CYBMUJFWSA-N -1 1 302.374 3.692 20 0 DHADMM COc1ccc([C@H](C)NC(=O)c2c([O-])cccc2Cl)cc1F ZINC000143496785 1019391732 /nfs/dbraw/zinc/39/17/32/1019391732.db2.gz UITYEPMYUGAOBM-VIFPVBQESA-N -1 1 323.751 3.684 20 0 DHADMM Cc1c(F)ccc(-c2noc(-c3ncccc3[O-])n2)c1Cl ZINC001212480965 1019414246 /nfs/dbraw/zinc/41/42/46/1019414246.db2.gz RYPOEVLWWPGAKC-UHFFFAOYSA-N -1 1 305.696 3.605 20 0 DHADMM Cc1csc([C@@H](C)NC(=O)c2ccc3ccccc3c2[O-])n1 ZINC000170774436 1019428427 /nfs/dbraw/zinc/42/84/27/1019428427.db2.gz FJXBQGMDBHSKCM-LLVKDONJSA-N -1 1 312.394 3.801 20 0 DHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(F)cc(Cl)c1 ZINC000477401981 1032833883 /nfs/dbraw/zinc/83/38/83/1032833883.db2.gz SZHDZBSNRBZZCI-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2ccc3oc(=O)ccc3c2)c([O-])c1 ZINC000727485391 1019723738 /nfs/dbraw/zinc/72/37/38/1019723738.db2.gz PQYMLGVSAIERDZ-UHFFFAOYSA-N -1 1 323.348 3.874 20 0 DHADMM CSCCc1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000067899596 1019812719 /nfs/dbraw/zinc/81/27/19/1019812719.db2.gz XRYLGTZFMAAWFW-UHFFFAOYSA-N -1 1 321.467 3.701 20 0 DHADMM Fc1cccc2nc([N-][C@H](C[C@H]3CCCO3)C(F)(F)F)oc21 ZINC000624375210 1019994818 /nfs/dbraw/zinc/99/48/18/1019994818.db2.gz JMJLMKMWWRWBAF-LDYMZIIASA-N -1 1 318.270 3.879 20 0 DHADMM Cc1ccc(C(=O)CCC(=O)Nc2cc(F)cc(F)c2[O-])cc1 ZINC001626854778 1020016943 /nfs/dbraw/zinc/01/69/43/1020016943.db2.gz SHDNNBCLCYNFFL-UHFFFAOYSA-N -1 1 319.307 3.580 20 0 DHADMM COCCC1(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CC1 ZINC000628233232 1020050848 /nfs/dbraw/zinc/05/08/48/1020050848.db2.gz PWVCISPNTLXCAQ-UHFFFAOYSA-N -1 1 319.788 3.954 20 0 DHADMM COc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)c(Cl)c1 ZINC000732306575 1020223369 /nfs/dbraw/zinc/22/33/69/1020223369.db2.gz FEYQHBQUXDMAQM-UHFFFAOYSA-N -1 1 312.152 3.960 20 0 DHADMM CC(C)[C@@H](N[C@H](C)c1ccc(F)cc1[O-])C(=O)OC(C)(C)C ZINC000186371556 1020270559 /nfs/dbraw/zinc/27/05/59/1020270559.db2.gz AWACHLJDNIPJMR-IAQYHMDHSA-N -1 1 311.397 3.548 20 0 DHADMM C[C@]1(CCc2ccccc2)CCN(c2cc(Cl)[n-]c(=O)n2)C1 ZINC000858439787 1032895476 /nfs/dbraw/zinc/89/54/76/1032895476.db2.gz HRSVSKAGHHGNSA-KRWDZBQOSA-N -1 1 317.820 3.685 20 0 DHADMM O=C(c1cc(Br)ccc1[O-])N1CCC2(CCC2)CC1 ZINC000308736527 1020415015 /nfs/dbraw/zinc/41/50/15/1020415015.db2.gz ZQFLTIIGBZXIQS-UHFFFAOYSA-N -1 1 324.218 3.561 20 0 DHADMM O=C(c1ccc(Br)c([O-])c1)N1CCC2(CCC2)CC1 ZINC000308732153 1020415466 /nfs/dbraw/zinc/41/54/66/1020415466.db2.gz UYSKROMOUKITGN-UHFFFAOYSA-N -1 1 324.218 3.561 20 0 DHADMM C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2)C[C@H]1C(=O)[O-] ZINC000647460661 1020442037 /nfs/dbraw/zinc/44/20/37/1020442037.db2.gz GSCKVKYWUTWQOV-NOZJJQNGSA-N -1 1 302.201 3.536 20 0 DHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1 ZINC000055546203 1020448175 /nfs/dbraw/zinc/44/81/75/1020448175.db2.gz BGEFOGYQELXRIJ-UHFFFAOYSA-N -1 1 323.801 3.652 20 0 DHADMM Cc1cc2cc([N-]S(=O)(=O)c3ccc(C)c(F)c3)ccc2[nH]1 ZINC000055585339 1020452713 /nfs/dbraw/zinc/45/27/13/1020452713.db2.gz KIVFBGNSXPNUNB-UHFFFAOYSA-N -1 1 318.373 3.725 20 0 DHADMM O=c1nc(N2CCCC[C@H]2CCc2ccccc2)cc(Cl)[n-]1 ZINC000858463114 1032905922 /nfs/dbraw/zinc/90/59/22/1032905922.db2.gz UQJRHDMBTUUKJS-AWEZNQCLSA-N -1 1 317.820 3.827 20 0 DHADMM CC(=O)c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)no2)n[n-]1 ZINC001212429179 1020506481 /nfs/dbraw/zinc/50/64/81/1020506481.db2.gz CXCWYOVRIJNUTB-UHFFFAOYSA-N -1 1 323.139 3.636 20 0 DHADMM CC(=O)c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)no2)[n-]n1 ZINC001212429179 1020506484 /nfs/dbraw/zinc/50/64/84/1020506484.db2.gz CXCWYOVRIJNUTB-UHFFFAOYSA-N -1 1 323.139 3.636 20 0 DHADMM COc1cc(-c2nc(C3(C)CCCC3)no2)cc(Cl)c1[O-] ZINC000624757679 1020549303 /nfs/dbraw/zinc/54/93/03/1020549303.db2.gz GMMKFRRBOJDGKK-UHFFFAOYSA-N -1 1 308.765 3.936 20 0 DHADMM O=C([O-])[C@@H](NCc1ccc(C2CC2)cc1)c1ccc(F)cc1F ZINC000569985681 1020562358 /nfs/dbraw/zinc/56/23/58/1020562358.db2.gz QHEYAQRTEHWVOG-KRWDZBQOSA-N -1 1 317.335 3.758 20 0 DHADMM O=C([N-]c1nc(C2CC2)no1)c1cc2cc(Cl)ccc2o1 ZINC000734876071 1020669464 /nfs/dbraw/zinc/66/94/64/1020669464.db2.gz IPPMNBPXWSAKPP-UHFFFAOYSA-N -1 1 303.705 3.599 20 0 DHADMM O=C([N-]c1nc(C2CC2)no1)c1ccc(-c2ccc(F)cc2)o1 ZINC000734879367 1020669613 /nfs/dbraw/zinc/66/96/13/1020669613.db2.gz FGLSQZRFYUTKKD-UHFFFAOYSA-N -1 1 313.288 3.598 20 0 DHADMM O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)c1c([O-])cccc1Cl ZINC000734873165 1020672612 /nfs/dbraw/zinc/67/26/12/1020672612.db2.gz XJRKYXSCSCOPQH-PELKAZGASA-N -1 1 323.726 3.610 20 0 DHADMM O=C(c1ncc2ccccc2c1[O-])N1CCCC12CCCCC2 ZINC000613075459 1020801343 /nfs/dbraw/zinc/80/13/43/1020801343.db2.gz UXXXKNPDMGLLKW-UHFFFAOYSA-N -1 1 310.397 3.879 20 0 DHADMM O=C(N[C@H](Cc1ccccc1)C1CC1)c1c([O-])cccc1Cl ZINC000736725979 1020828336 /nfs/dbraw/zinc/82/83/36/1020828336.db2.gz DUNBWQNDSLVXLH-OAHLLOKOSA-N -1 1 315.800 3.797 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000613304574 1020895659 /nfs/dbraw/zinc/89/56/59/1020895659.db2.gz IAMBSROPZBXMQV-HBNTYKKESA-N -1 1 324.218 3.838 20 0 DHADMM C[C@@H]1CN(C(=O)c2ncc3ccccc3c2[O-])[C@H]2CCCC[C@@H]12 ZINC000613398831 1020934512 /nfs/dbraw/zinc/93/45/12/1020934512.db2.gz MBEJAKQZCZSORW-INWMFGNUSA-N -1 1 310.397 3.591 20 0 DHADMM O=c1nc(N[C@H]2C[C@H](c3ccccc3Cl)C2)cc(Cl)[n-]1 ZINC000858555617 1032943987 /nfs/dbraw/zinc/94/39/87/1032943987.db2.gz LJYITYWUFZQENL-KYZUINATSA-N -1 1 310.184 3.847 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CCS[C@H]2CCCC[C@@H]21 ZINC000175500286 1021049899 /nfs/dbraw/zinc/04/98/99/1021049899.db2.gz QNBHLJLVJMAOLB-JSGCOSHPSA-N -1 1 311.834 3.546 20 0 DHADMM Cc1nc(SCc2cc(=O)oc3cc([O-])ccc23)sc1C ZINC000741860400 1021063504 /nfs/dbraw/zinc/06/35/04/1021063504.db2.gz WIKCOWIECFCSGB-UHFFFAOYSA-N -1 1 319.407 3.864 20 0 DHADMM CC(C)(C)OCc1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000084461073 1021357724 /nfs/dbraw/zinc/35/77/24/1021357724.db2.gz NDNSTKFCHLBGNT-UHFFFAOYSA-N -1 1 319.426 3.803 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H]2CCCC3(CC3)C2)c1 ZINC000850206950 1021438286 /nfs/dbraw/zinc/43/82/86/1021438286.db2.gz SMAJIASOSSJCKC-INIZCTEOSA-N -1 1 316.397 3.651 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@@H](CCF)C1 ZINC000618696938 1021493510 /nfs/dbraw/zinc/49/35/10/1021493510.db2.gz YAEDNKGMSAYHQK-JTQLQIEISA-N -1 1 319.298 3.623 20 0 DHADMM Cc1nc(SCc2nc(C(C)C)ns2)[n-]c(=O)c1C1CC1 ZINC000918462135 1021524590 /nfs/dbraw/zinc/52/45/90/1021524590.db2.gz AYBMSURXMYENDE-UHFFFAOYSA-N -1 1 322.459 3.635 20 0 DHADMM CCc1ccc(-c2nc(CN(C)[C@H](C)CC(=O)[O-])cs2)cc1 ZINC000659791616 1021527949 /nfs/dbraw/zinc/52/79/49/1021527949.db2.gz DLZSANVBEIZUSM-GFCCVEGCSA-N -1 1 318.442 3.668 20 0 DHADMM CCOc1cc(C(=O)N[C@@](C)(CC)C2CC2)cc(Cl)c1[O-] ZINC000618957979 1021589787 /nfs/dbraw/zinc/58/97/87/1021589787.db2.gz NLLPMVYLMWPSLJ-INIZCTEOSA-N -1 1 311.809 3.753 20 0 DHADMM CC(=O)Nc1ccc(NCc2cccc([O-])c2Cl)cc1C ZINC000328289658 1021711447 /nfs/dbraw/zinc/71/14/47/1021711447.db2.gz BMQUWQCBVMLDRK-UHFFFAOYSA-N -1 1 304.777 3.925 20 0 DHADMM O=C([O-])[C@H](NCc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000756333017 1021935123 /nfs/dbraw/zinc/93/51/23/1021935123.db2.gz PAJOPZGJNVQEED-CQSZACIVSA-N -1 1 310.180 3.909 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)c1coc(-c2ccccc2)n1 ZINC001625894022 1021991107 /nfs/dbraw/zinc/99/11/07/1021991107.db2.gz OONAEUZMCUIVHT-UHFFFAOYSA-N -1 1 316.263 3.578 20 0 DHADMM CC(NC(=O)c1ccc(C(F)(F)F)c([O-])c1)(C1CC1)C1CC1 ZINC000620025664 1022014390 /nfs/dbraw/zinc/01/43/90/1022014390.db2.gz ZPDPWZBUNHIREL-UHFFFAOYSA-N -1 1 313.319 3.720 20 0 DHADMM Cc1ccsc1S(=O)(=O)[N-]c1cncc(Cl)c1Cl ZINC000350674728 1033026640 /nfs/dbraw/zinc/02/66/40/1033026640.db2.gz CAPXJQOHTIYVTQ-UHFFFAOYSA-N -1 1 323.226 3.559 20 0 DHADMM C[C@@H](NC(=O)c1c([O-])cccc1Cl)c1c(F)cccc1F ZINC000920444776 1022121441 /nfs/dbraw/zinc/12/14/41/1022121441.db2.gz KSTDTTPKQLDTIZ-MRVPVSSYSA-N -1 1 311.715 3.815 20 0 DHADMM O=C(NCc1cc2ccccc2o1)c1c([O-])cccc1Cl ZINC000920452623 1022123984 /nfs/dbraw/zinc/12/39/84/1022123984.db2.gz UJQQQTOVQOVOOS-UHFFFAOYSA-N -1 1 301.729 3.722 20 0 DHADMM C[C@]12CCCC[C@H]1CN2C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876399689 1033038294 /nfs/dbraw/zinc/03/82/94/1033038294.db2.gz SNUPICRNRYVZOX-LRDDRELGSA-N -1 1 308.809 3.520 20 0 DHADMM O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)c1ccc([O-])cc1F ZINC000154864743 1022338687 /nfs/dbraw/zinc/33/86/87/1022338687.db2.gz SHBFYQAWQKSYTM-QGZVFWFLSA-N -1 1 317.335 3.942 20 0 DHADMM Cc1ccc(C[C@H]2CCCN2C(=O)c2ccc([O-])cc2F)cc1 ZINC000154891397 1022340977 /nfs/dbraw/zinc/34/09/77/1022340977.db2.gz JWMBKBLGFYVHLR-OAHLLOKOSA-N -1 1 313.372 3.687 20 0 DHADMM CC[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccc(F)cc1F ZINC000154912414 1022345617 /nfs/dbraw/zinc/34/56/17/1022345617.db2.gz MLXHEYWDNQMEFS-OAHLLOKOSA-N -1 1 309.287 3.691 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(Cl)nc(Cl)c1 ZINC000111668537 1022363070 /nfs/dbraw/zinc/36/30/70/1022363070.db2.gz BAIMVWBNKOUPCL-UHFFFAOYSA-N -1 1 317.559 4.000 20 0 DHADMM O=c1oc2cc([O-])ccc2cc1Nc1ccc(Cl)c(O)c1 ZINC001212590496 1022422810 /nfs/dbraw/zinc/42/28/10/1022422810.db2.gz PARMOKJJVLLLEE-UHFFFAOYSA-N -1 1 303.701 3.601 20 0 DHADMM O=C(C=C1CCSCC1)Nc1cc(F)c([O-])cc1Cl ZINC000885676993 1022449682 /nfs/dbraw/zinc/44/96/82/1022449682.db2.gz YMQDKABXHRXRBK-UHFFFAOYSA-N -1 1 301.770 3.577 20 0 DHADMM CCC(F)(F)C(=O)[N-]C1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000854682887 1022510903 /nfs/dbraw/zinc/51/09/03/1022510903.db2.gz NUIJPXJCXPFZEU-UHFFFAOYSA-N -1 1 323.261 3.736 20 0 DHADMM CCOc1cc(C(=O)N(C)C[C@@H]2CC2(C)C)cc(Cl)c1[O-] ZINC000621056692 1022530739 /nfs/dbraw/zinc/53/07/39/1022530739.db2.gz DFZJNQWIGFVSKP-NSHDSACASA-N -1 1 311.809 3.562 20 0 DHADMM C[C@H](CC(F)(F)F)[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000766921961 1022609920 /nfs/dbraw/zinc/60/99/20/1022609920.db2.gz FBEBWNWNAZTUPE-SSDOTTSWSA-N -1 1 315.669 3.889 20 0 DHADMM CCc1cc(C(=O)Nc2cc([O-])c(F)cc2F)cc(Cl)n1 ZINC001625896396 1022615107 /nfs/dbraw/zinc/61/51/07/1022615107.db2.gz LDOVBKNPXASNSA-UHFFFAOYSA-N -1 1 312.703 3.534 20 0 DHADMM O=c1cc(Nc2c(Cl)ccc(Br)c2[O-])cc[nH]1 ZINC001212281495 1022699673 /nfs/dbraw/zinc/69/96/73/1022699673.db2.gz BWIZJPQIHCQKDB-UHFFFAOYSA-N -1 1 315.554 3.652 20 0 DHADMM CCOC(=O)c1ccc(-c2cccc(Cl)c2[O-])cc1OC ZINC001242366858 1022738299 /nfs/dbraw/zinc/73/82/99/1022738299.db2.gz BDXNNPTZNWJXIG-UHFFFAOYSA-N -1 1 306.745 3.898 20 0 DHADMM CC=C(C=CC(=O)OCCc1cc(C(C)=O)ccc1[O-])CC ZINC000767663052 1022770011 /nfs/dbraw/zinc/77/00/11/1022770011.db2.gz VVWABXSYOUCUND-JSXFRROKSA-N -1 1 302.370 3.593 20 0 DHADMM O=C([O-])C[C@@H](NCc1cnc(C2CCC2)s1)c1ccsc1 ZINC000417539905 1022778241 /nfs/dbraw/zinc/77/82/41/1022778241.db2.gz WFUBLGNCVWGKHS-CYBMUJFWSA-N -1 1 322.455 3.778 20 0 DHADMM C[C@H](C(=O)[N-]OCC1CCC1)c1ccccc1C(F)(F)F ZINC000856350127 1022800073 /nfs/dbraw/zinc/80/00/73/1022800073.db2.gz ZPMUDIDKIWYIJH-JTQLQIEISA-N -1 1 301.308 3.657 20 0 DHADMM [O-]c1ccc(-c2nc(Cc3cccc(F)c3Cl)no2)c(F)c1 ZINC000776890851 1022839280 /nfs/dbraw/zinc/83/92/80/1022839280.db2.gz DEONSKODSBCUHP-UHFFFAOYSA-N -1 1 322.698 3.965 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N(C1CC1)C1CCCC1 ZINC000538525213 1033087189 /nfs/dbraw/zinc/08/71/89/1033087189.db2.gz BFPDFILEQFBGRF-UHFFFAOYSA-N -1 1 313.319 3.958 20 0 DHADMM COc1ccccc1C/C(C)=C/C(=O)Nc1ccc(F)cc1[O-] ZINC000768256894 1022933123 /nfs/dbraw/zinc/93/31/23/1022933123.db2.gz BHZPQQSMLJCWGK-ZRDIBKRKSA-N -1 1 315.344 3.667 20 0 DHADMM COc1ccc(-c2nc([C@@H]3CCCc4ccccc43)no2)c([O-])c1 ZINC000324784485 1022966448 /nfs/dbraw/zinc/96/64/48/1022966448.db2.gz HSJKJYJOLROSFT-OAHLLOKOSA-N -1 1 322.364 3.919 20 0 DHADMM Cc1nc2cc(NC(=O)c3ccc([O-])c(F)c3)ccc2s1 ZINC000768414474 1022967351 /nfs/dbraw/zinc/96/73/51/1022967351.db2.gz RHRKSTWJQUQNRJ-UHFFFAOYSA-N -1 1 302.330 3.702 20 0 DHADMM CN(CCC(C)(C)C)C(=O)c1ccc(Br)cc1[O-] ZINC000399814205 1023032644 /nfs/dbraw/zinc/03/26/44/1023032644.db2.gz JQYLEHPXAOWFBT-UHFFFAOYSA-N -1 1 314.223 3.663 20 0 DHADMM Cc1ccc(C[C@H](C)NC(=O)c2c([O-])cccc2F)c(C)c1 ZINC000622362020 1023127584 /nfs/dbraw/zinc/12/75/84/1023127584.db2.gz FRIFYHWFHIKEQS-ZDUSSCGKSA-N -1 1 301.361 3.509 20 0 DHADMM CC[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ccc(OC)cc1 ZINC000769636557 1023184061 /nfs/dbraw/zinc/18/40/61/1023184061.db2.gz BHBUYCHNICRWBS-CQSZACIVSA-N -1 1 319.788 3.935 20 0 DHADMM O=C(N[C@H](c1ccccc1)C1CC1)c1c([O-])cccc1Cl ZINC000769636756 1023184400 /nfs/dbraw/zinc/18/44/00/1023184400.db2.gz IGZXBUZDEADADZ-MRXNPFEDSA-N -1 1 301.773 3.927 20 0 DHADMM O=C(/C=C\c1ccc2ccccc2n1)Nc1c([O-])cccc1F ZINC000770861662 1023353169 /nfs/dbraw/zinc/35/31/69/1023353169.db2.gz JXVSOFWVOWSLBM-KHPPLWFESA-N -1 1 308.312 3.731 20 0 DHADMM CCCCCCN(C)CC(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000771502391 1023445586 /nfs/dbraw/zinc/44/55/86/1023445586.db2.gz AQAPGSMLKKMDNI-UHFFFAOYSA-N -1 1 316.804 3.635 20 0 DHADMM CC[C@H](C)OCC[C@@H](C)Nc1c(C)c(=O)[n-]n1-c1ccccc1 ZINC001172352833 1033134225 /nfs/dbraw/zinc/13/42/25/1033134225.db2.gz UHWRBMVHFYFXHD-KGLIPLIRSA-N -1 1 317.433 3.892 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H]2CCCC2(C)C)c1 ZINC000772614062 1023572391 /nfs/dbraw/zinc/57/23/91/1023572391.db2.gz GGBCXXFJHQPURY-OAHLLOKOSA-N -1 1 304.386 3.507 20 0 DHADMM Cc1ccc(N(Cc2ccco2)C(=O)c2cncc([O-])c2)cc1C ZINC000786139838 1023666750 /nfs/dbraw/zinc/66/67/50/1023666750.db2.gz MITPBKDKWJIASW-UHFFFAOYSA-N -1 1 322.364 3.844 20 0 DHADMM CSc1ccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)cc1 ZINC000048653714 1023802719 /nfs/dbraw/zinc/80/27/19/1023802719.db2.gz OBPBBRAJJYBFGZ-UHFFFAOYSA-N -1 1 311.403 3.657 20 0 DHADMM C[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC001211683527 1023890629 /nfs/dbraw/zinc/89/06/29/1023890629.db2.gz HVXZIMGVIHBPKW-SNVBAGLBSA-N -1 1 321.389 3.854 20 0 DHADMM C[C@@H](CC(=O)Nc1nc(Cl)ccc1[O-])c1ccccc1F ZINC000789930525 1024183684 /nfs/dbraw/zinc/18/36/84/1024183684.db2.gz UWTHWQDHLYHDBG-VIFPVBQESA-N -1 1 308.740 3.712 20 0 DHADMM CCc1cccc(S(=O)(=O)[N-]c2cccc3ccncc32)c1 ZINC000531781505 1024333735 /nfs/dbraw/zinc/33/37/35/1024333735.db2.gz LLEVUPUIQSOFML-UHFFFAOYSA-N -1 1 312.394 3.598 20 0 DHADMM CCC[C@H](OC)c1noc(-c2cc(Cl)c([O-])c(OC)c2)n1 ZINC000453198863 1024399078 /nfs/dbraw/zinc/39/90/78/1024399078.db2.gz OWHYEKMVCZAGTP-JTQLQIEISA-N -1 1 312.753 3.592 20 0 DHADMM O=c1cccc(Nc2cc(Br)cc(Cl)c2[O-])[nH]1 ZINC001212794258 1024446775 /nfs/dbraw/zinc/44/67/75/1024446775.db2.gz QZWGXPVAUDSULT-UHFFFAOYSA-N -1 1 315.554 3.652 20 0 DHADMM COc1ccc(C2CC2)cc1CNCc1cccc(C(=O)[O-])c1 ZINC000883517116 1024449253 /nfs/dbraw/zinc/44/92/53/1024449253.db2.gz OWSVRXBUCKZIJF-UHFFFAOYSA-N -1 1 311.381 3.561 20 0 DHADMM CSC1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000313764328 1024515248 /nfs/dbraw/zinc/51/52/48/1024515248.db2.gz ATEWSWCPHCNLBV-UHFFFAOYSA-N -1 1 301.411 3.513 20 0 DHADMM Cc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c(C)c1 ZINC000339122721 1024569750 /nfs/dbraw/zinc/56/97/50/1024569750.db2.gz MOVMJGIMCXKXLC-UHFFFAOYSA-N -1 1 307.353 3.651 20 0 DHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(Cl)s1 ZINC000339119556 1024570514 /nfs/dbraw/zinc/57/05/14/1024570514.db2.gz LKJHJGGXUKHDOK-UHFFFAOYSA-N -1 1 319.773 3.750 20 0 DHADMM CCOc1cc(C(=O)N2CC[C@@H](C3CCC3)C2)cc(Cl)c1[O-] ZINC000666075115 1024670863 /nfs/dbraw/zinc/67/08/63/1024670863.db2.gz SJZPUOJKRWHJBS-GFCCVEGCSA-N -1 1 323.820 3.707 20 0 DHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CC[C@@H](C2CCC2)C1 ZINC000666076515 1024671815 /nfs/dbraw/zinc/67/18/15/1024671815.db2.gz PTVBNIMXHHFMTQ-GFCCVEGCSA-N -1 1 313.319 3.673 20 0 DHADMM O=c1nc2nc[nH]c2c(Nc2ccc(-c3cccs3)cc2)[n-]1 ZINC001170232291 1024700352 /nfs/dbraw/zinc/70/03/52/1024700352.db2.gz HUWJCKNLBQHWMS-UHFFFAOYSA-N -1 1 309.354 3.531 20 0 DHADMM Cc1ccc(-c2ccccc2)c(Nc2[n-]c(=O)nc3nc[nH]c32)c1 ZINC001170234775 1024703080 /nfs/dbraw/zinc/70/30/80/1024703080.db2.gz ZZUJCLNXNDTGDZ-UHFFFAOYSA-N -1 1 317.352 3.778 20 0 DHADMM O=C(NCc1ccsc1C(F)(F)F)c1cccc([O-])c1F ZINC001170320125 1024740652 /nfs/dbraw/zinc/74/06/52/1024740652.db2.gz HACHTIIWLKDZEB-UHFFFAOYSA-N -1 1 319.279 3.542 20 0 DHADMM CSCc1cc(C(=O)Nc2c([O-])cccc2F)ccc1F ZINC000610456020 1024906966 /nfs/dbraw/zinc/90/69/66/1024906966.db2.gz ANVGIAWQPJDMEG-UHFFFAOYSA-N -1 1 309.337 3.786 20 0 DHADMM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2cccc(Cl)c2Cl)C1 ZINC000263316958 1024917867 /nfs/dbraw/zinc/91/78/67/1024917867.db2.gz IWFPNUOISONLGS-GXSJLCMTSA-N -1 1 302.201 3.536 20 0 DHADMM Cc1cc(F)ccc1-c1ccc(CN2CCCC[C@H]2C(=O)[O-])o1 ZINC000263417604 1024983056 /nfs/dbraw/zinc/98/30/56/1024983056.db2.gz NWACDXFZIJXKBT-INIZCTEOSA-N -1 1 317.360 3.833 20 0 DHADMM O=C([O-])[C@H]1CCN(Cc2cc(Cl)ccc2OC2CCCC2)C1 ZINC000263441251 1025002560 /nfs/dbraw/zinc/00/25/60/1025002560.db2.gz WNOXVRIWDQWCBH-LBPRGKRZSA-N -1 1 323.820 3.568 20 0 DHADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1csc(-c2ccsc2)n1 ZINC000263527771 1025070092 /nfs/dbraw/zinc/07/00/92/1025070092.db2.gz UVNFBSJULSMQLY-QWRGUYRKSA-N -1 1 322.455 3.557 20 0 DHADMM O=C(CC1CCSCC1)Nc1cc(F)c([O-])cc1Cl ZINC000885676040 1025378482 /nfs/dbraw/zinc/37/84/82/1025378482.db2.gz HLCQNEVBLWPELH-UHFFFAOYSA-N -1 1 303.786 3.657 20 0 DHADMM Cc1c(C(=O)Nc2cc(F)c([O-])cc2Cl)cnn1C(C)C ZINC000885676866 1025379163 /nfs/dbraw/zinc/37/91/63/1025379163.db2.gz USQLORVEBSSNRK-UHFFFAOYSA-N -1 1 311.744 3.523 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@H]1CC12CCSCC2 ZINC000885678072 1025380096 /nfs/dbraw/zinc/38/00/96/1025380096.db2.gz IHJGZCMQEDAOKV-MRVPVSSYSA-N -1 1 315.797 3.657 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)C1C[C@H]2CC[C@@H](C1)S2 ZINC000885680172 1025381362 /nfs/dbraw/zinc/38/13/62/1025381362.db2.gz NGUIJPANTICRNC-CBLAIPOGSA-N -1 1 315.797 3.797 20 0 DHADMM COCc1ccc(C(=O)[N-]c2c(C)noc2-c2ccccc2)o1 ZINC000123897713 1025405710 /nfs/dbraw/zinc/40/57/10/1025405710.db2.gz YRPYUVQGXNYIED-UHFFFAOYSA-N -1 1 312.325 3.642 20 0 DHADMM O=C([N-]c1c(F)cccc1F)c1ccc(Br)o1 ZINC000044285701 1025506247 /nfs/dbraw/zinc/50/62/47/1025506247.db2.gz RKQDJJAJCNTUJU-UHFFFAOYSA-N -1 1 302.074 3.573 20 0 DHADMM COc1cc2nc(-c3ccc(C(C)C)cc3)[n-]c(=O)c2cc1OC ZINC000614110278 1025724544 /nfs/dbraw/zinc/72/45/44/1025724544.db2.gz IONJDZKNFNUCLT-UHFFFAOYSA-N -1 1 324.380 3.731 20 0 DHADMM Cc1cccc2ncc(Nc3cc(Cl)cc(C(=O)[O-])c3)n21 ZINC001211962514 1025854075 /nfs/dbraw/zinc/85/40/75/1025854075.db2.gz GQJRGNCWGGUENF-UHFFFAOYSA-N -1 1 301.733 3.738 20 0 DHADMM Cc1nc(CC2CC2)oc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000356388936 1026040623 /nfs/dbraw/zinc/04/06/23/1026040623.db2.gz ITASLXMQBMXOLL-UHFFFAOYSA-N -1 1 306.749 3.547 20 0 DHADMM CCc1onc(C)c1[N-]C(=O)c1cc(F)c(Cl)nc1Cl ZINC000089393965 1026042574 /nfs/dbraw/zinc/04/25/74/1026042574.db2.gz VMGZIIJLYUDYJF-UHFFFAOYSA-N -1 1 318.135 3.639 20 0 DHADMM O=c1cc(C(F)F)nc(SCCC(Cl)(Cl)Cl)[n-]1 ZINC000289680312 1026128269 /nfs/dbraw/zinc/12/82/69/1026128269.db2.gz ZKHDPAQHAQBSKA-UHFFFAOYSA-N -1 1 323.579 3.972 20 0 DHADMM CSc1ccc([O-])c(C(=O)Nc2nc(C3CC3)c(C)o2)c1 ZINC000887242667 1026140632 /nfs/dbraw/zinc/14/06/32/1026140632.db2.gz LCRQZURKUHAFPP-UHFFFAOYSA-N -1 1 304.371 3.540 20 0 DHADMM O=C([N-]C1(C(F)F)CCCC1)C(F)(F)c1ccccc1F ZINC000808497776 1026312243 /nfs/dbraw/zinc/31/22/43/1026312243.db2.gz WGTWWNSJFMPEQN-UHFFFAOYSA-N -1 1 307.262 3.612 20 0 DHADMM O=C(CSc1nccn1-c1ccccc1)c1ccc([O-])cc1 ZINC000026128293 1026509365 /nfs/dbraw/zinc/50/93/65/1026509365.db2.gz RIVYXRXPRSHXQH-UHFFFAOYSA-N -1 1 310.378 3.553 20 0 DHADMM Cc1ccc(-c2ccc(CN[C@H](CC(C)C)C(=O)[O-])o2)cc1 ZINC000262689253 1026514332 /nfs/dbraw/zinc/51/43/32/1026514332.db2.gz FOMLBWGMEGBYMK-MRXNPFEDSA-N -1 1 301.386 3.844 20 0 DHADMM COC(=O)c1c(F)cc(-c2c(Cl)ccc([O-])c2F)cc1F ZINC001244540555 1026763225 /nfs/dbraw/zinc/76/32/25/1026763225.db2.gz ASWMZKWZJICDDU-UHFFFAOYSA-N -1 1 316.662 3.917 20 0 DHADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccccc2C(C)C)c(C)n1 ZINC000414463833 1026850256 /nfs/dbraw/zinc/85/02/56/1026850256.db2.gz WTKZVEABYMUYRV-UHFFFAOYSA-N -1 1 318.442 3.931 20 0 DHADMM CCCCC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000572548658 1027210282 /nfs/dbraw/zinc/21/02/82/1027210282.db2.gz GYVXGMLLNWADKZ-UHFFFAOYSA-N -1 1 306.587 3.937 20 0 DHADMM Cc1ccc(/C=C\S(=O)(=O)[N-]c2ncc(Cl)cc2C)cc1 ZINC000812339498 1027258107 /nfs/dbraw/zinc/25/81/07/1027258107.db2.gz URAYYTHYSPVOOY-FPLPWBNLSA-N -1 1 322.817 3.764 20 0 DHADMM CCOc1cc(C(=O)NC2(C3(C)CC3)CC2)cc(Cl)c1[O-] ZINC000574496159 1027397833 /nfs/dbraw/zinc/39/78/33/1027397833.db2.gz YVARFBWINSIOHV-UHFFFAOYSA-N -1 1 309.793 3.507 20 0 DHADMM O=C(Nc1cccc(OCC(F)(F)F)c1)c1ccccc1[O-] ZINC000031608293 1027479530 /nfs/dbraw/zinc/47/95/30/1027479530.db2.gz BCLSRSVFOIFYOY-UHFFFAOYSA-N -1 1 311.259 3.586 20 0 DHADMM CCN(C(=O)c1ccc(Br)cc1[O-])[C@@H](C)C(C)C ZINC000576120237 1027566786 /nfs/dbraw/zinc/56/67/86/1027566786.db2.gz AFJHRDZDBLCCSF-JTQLQIEISA-N -1 1 314.223 3.661 20 0 DHADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000031665873 1027608116 /nfs/dbraw/zinc/60/81/16/1027608116.db2.gz YZJRGESYZZEURJ-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCC(c2cccc(F)c2)CC1 ZINC000363599365 1027688360 /nfs/dbraw/zinc/68/83/60/1027688360.db2.gz CLYTWNHABQGGTB-UHFFFAOYSA-N -1 1 317.335 3.690 20 0 DHADMM C[C@@](NC(=O)Nc1ccc([O-])c(Cl)c1)(C1CC1)C(F)(F)F ZINC000933578011 1027763545 /nfs/dbraw/zinc/76/35/45/1027763545.db2.gz GNKMREFQGDHMRG-GFCCVEGCSA-N -1 1 322.714 3.898 20 0 DHADMM O=C([O-])c1cc(CN(Cc2cccc(F)c2)C2CC2)cs1 ZINC000577760591 1027923245 /nfs/dbraw/zinc/92/32/45/1027923245.db2.gz JESHGTWBONHETR-UHFFFAOYSA-N -1 1 305.374 3.750 20 0 DHADMM CCOC(=O)c1cnc(C(C)=Cc2csc(C)c2C)[n-]c1=O ZINC000601043449 1027948290 /nfs/dbraw/zinc/94/82/90/1027948290.db2.gz ALVSNUMQJRGBQH-RMKNXTFCSA-N -1 1 318.398 3.598 20 0 DHADMM CN(Cc1ccc(C(=O)[O-])o1)Cc1cccc(C(F)(F)F)c1 ZINC000563277507 1027975300 /nfs/dbraw/zinc/97/53/00/1027975300.db2.gz NAVXPFNYRBFCNN-UHFFFAOYSA-N -1 1 313.275 3.629 20 0 DHADMM C[C@H](O[N-]C(=O)C[C@@H]1OCCc2ccsc21)c1ccccc1 ZINC000365633521 1027987119 /nfs/dbraw/zinc/98/71/19/1027987119.db2.gz IDFUQGGEXBMWSZ-WFASDCNBSA-N -1 1 317.410 3.561 20 0 DHADMM CC(C)c1ccc(CNC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000578698643 1028220165 /nfs/dbraw/zinc/22/01/65/1028220165.db2.gz BYZRFBNFKHXEKX-UHFFFAOYSA-N -1 1 305.324 3.724 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCCC[C@@H]1c1cc[nH]n1 ZINC000367659797 1028221936 /nfs/dbraw/zinc/22/19/36/1028221936.db2.gz UYEOPRDGRNHOPB-QGZVFWFLSA-N -1 1 321.380 3.636 20 0 DHADMM CC[N@@H+](Cc1ccoc1C(=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000579484940 1028419909 /nfs/dbraw/zinc/41/99/09/1028419909.db2.gz ZAQBJDWCMOGQJN-LBPRGKRZSA-N -1 1 303.358 3.570 20 0 DHADMM CC(=O)Nc1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)c1C ZINC000188813836 1028532053 /nfs/dbraw/zinc/53/20/53/1028532053.db2.gz NJPPIWPTENVFDY-UHFFFAOYSA-N -1 1 318.760 3.565 20 0 DHADMM C[C@@H](CC(=O)[O-])N(C)Cc1nc(-c2ccccc2Cl)cs1 ZINC000565255723 1028567259 /nfs/dbraw/zinc/56/72/59/1028567259.db2.gz ZVWBTQGMVBBZIS-JTQLQIEISA-N -1 1 324.833 3.759 20 0 DHADMM O=c1cc(C(F)F)nc(SCc2ccc3ccccc3n2)[n-]1 ZINC000565628335 1028612338 /nfs/dbraw/zinc/61/23/38/1028612338.db2.gz WBJHHWIWBPLJEA-UHFFFAOYSA-N -1 1 319.336 3.960 20 0 DHADMM O=C(N[C@H]1CC[C@@H](c2ccccc2)C1)c1c(F)ccc([O-])c1F ZINC000370743410 1028646010 /nfs/dbraw/zinc/64/60/10/1028646010.db2.gz WGRUIGKQNIELNA-OLZOCXBDSA-N -1 1 317.335 3.737 20 0 DHADMM CC[C@]1(C)CCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000566015510 1028667740 /nfs/dbraw/zinc/66/77/40/1028667740.db2.gz ZBQSIJGIWGMVHN-GOSISDBHSA-N -1 1 314.385 3.662 20 0 DHADMM CC[C@@H]1CCCCN1Cc1nc2cc(C(=O)[O-])ccc2n1CC ZINC000566358524 1028708486 /nfs/dbraw/zinc/70/84/86/1028708486.db2.gz XJFPYPKBTBZXTJ-CQSZACIVSA-N -1 1 315.417 3.519 20 0 DHADMM O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc([O-])c1F ZINC001135381659 1028731679 /nfs/dbraw/zinc/73/16/79/1028731679.db2.gz NWXMRCORNVNBBW-UHFFFAOYSA-N -1 1 315.222 3.682 20 0 DHADMM CCc1cccc(OCc2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000567319502 1028874696 /nfs/dbraw/zinc/87/46/96/1028874696.db2.gz XGFJAYZLYSVHBU-UHFFFAOYSA-N -1 1 314.316 3.723 20 0 DHADMM O=C([O-])c1ccc(CN2CCC(c3cccc(F)c3F)CC2)o1 ZINC000568891340 1029142519 /nfs/dbraw/zinc/14/25/19/1029142519.db2.gz TYPNESUKFKQQSN-UHFFFAOYSA-N -1 1 321.323 3.636 20 0 DHADMM CC(C)CCO[C@H]1CC[C@H](NC(=O)c2c([O-])cccc2F)CC1 ZINC000628836919 1029162583 /nfs/dbraw/zinc/16/25/83/1029162583.db2.gz MUYOLLMBZUSNET-HDJSIYSDSA-N -1 1 323.408 3.635 20 0 DHADMM COc1ccc([C@@H]2C[C@H]2CC(=O)Nc2cccc(F)c2[O-])cc1 ZINC000628959819 1029196523 /nfs/dbraw/zinc/19/65/23/1029196523.db2.gz BOJDTWQAGRLXLD-JSGCOSHPSA-N -1 1 315.344 3.672 20 0 DHADMM N#CC(=C([O-])C=Cc1cccc(F)c1)c1cnc2ccccc2n1 ZINC000190986221 1029237613 /nfs/dbraw/zinc/23/76/13/1029237613.db2.gz XLNIYEQLHFIRHL-HVHJFMEUSA-N -1 1 317.323 3.659 20 0 DHADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC001136018594 1029259331 /nfs/dbraw/zinc/25/93/31/1029259331.db2.gz AQLPWFJXZBVVFK-OFQRWUPVSA-N -1 1 315.413 3.602 20 0 DHADMM CSc1ccc([O-])c(C(=O)Nc2cccc3cnccc32)c1 ZINC001136017598 1029259519 /nfs/dbraw/zinc/25/95/19/1029259519.db2.gz AVFLRGMCCKKAMO-UHFFFAOYSA-N -1 1 310.378 3.915 20 0 DHADMM CC1=CC[C@](C)(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CC1 ZINC000629379239 1029319910 /nfs/dbraw/zinc/31/99/10/1029319910.db2.gz CJKYGNOAAQBNQO-SFHVURJKSA-N -1 1 311.385 3.653 20 0 DHADMM CO[C@](C)(C(=O)Nc1cc(Cl)c([O-])c2ccccc12)C1CC1 ZINC000529540432 1029380715 /nfs/dbraw/zinc/38/07/15/1029380715.db2.gz YYHMOMSPXFQEGQ-KRWDZBQOSA-N -1 1 319.788 3.952 20 0 DHADMM CCCOc1ccc(CNC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC001136275443 1029620920 /nfs/dbraw/zinc/62/09/20/1029620920.db2.gz HGRMMKJDVSMOBO-UHFFFAOYSA-N -1 1 319.788 3.764 20 0 DHADMM Cc1cc(C(=O)Nc2cccc(F)c2[O-])nn1C1CCCCC1 ZINC000530004548 1029711141 /nfs/dbraw/zinc/71/11/41/1029711141.db2.gz DLEQLSFKRQBRRS-UHFFFAOYSA-N -1 1 317.364 3.794 20 0 DHADMM CCCOc1ccc(NC(=O)c2c([O-])cccc2OC)c(C)c1 ZINC001136342107 1029735149 /nfs/dbraw/zinc/73/51/49/1029735149.db2.gz DUOYMPWXASMQBX-UHFFFAOYSA-N -1 1 315.369 3.750 20 0 DHADMM O=C(c1cccc([O-])c1F)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC001136348809 1029741212 /nfs/dbraw/zinc/74/12/12/1029741212.db2.gz WHHSKRKLOZAMCG-AWEZNQCLSA-N -1 1 317.335 3.518 20 0 DHADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC000450962178 1029751689 /nfs/dbraw/zinc/75/16/89/1029751689.db2.gz WCCXNGYAPZYTSL-UHFFFAOYSA-N -1 1 305.374 3.812 20 0 DHADMM CCC(CC)[C@H](NC(=O)c1ncccc1[O-])c1cccs1 ZINC001136365434 1029757485 /nfs/dbraw/zinc/75/74/85/1029757485.db2.gz VVXGKNLCMIMMGY-AWEZNQCLSA-N -1 1 304.415 3.756 20 0 DHADMM Cc1cc(F)ccc1NC(=O)c1cc(Br)ccc1[O-] ZINC000219998487 1029797736 /nfs/dbraw/zinc/79/77/36/1029797736.db2.gz XBHQPCLWCLAZSL-UHFFFAOYSA-N -1 1 324.149 3.855 20 0 DHADMM Cc1ccccc1C[C@@H](C)NC(=O)c1cc(Cl)ccc1[O-] ZINC001136512257 1029885975 /nfs/dbraw/zinc/88/59/75/1029885975.db2.gz VZJMOVKEYKKNBE-GFCCVEGCSA-N -1 1 303.789 3.715 20 0 DHADMM CC(C)C[C@H]1CCCN1C(=O)c1c([O-])cnc2c(F)cccc21 ZINC001136568447 1029982065 /nfs/dbraw/zinc/98/20/65/1029982065.db2.gz HOCDSDLPVUWUPJ-GFCCVEGCSA-N -1 1 316.376 3.730 20 0 DHADMM O=C(C[C@@H]1C[C@H]1Cc1ccccc1)Nc1cc([O-])c(F)cc1F ZINC000822542889 1030058289 /nfs/dbraw/zinc/05/82/89/1030058289.db2.gz KIIBAXODBFZZQZ-OLZOCXBDSA-N -1 1 317.335 3.878 20 0 DHADMM COc1ccc(-c2nc(CC3CCC(F)(F)CC3)no2)c([O-])c1 ZINC000924257037 1030068980 /nfs/dbraw/zinc/06/89/80/1030068980.db2.gz CXSOCJBNMPUCAV-UHFFFAOYSA-N -1 1 324.327 3.819 20 0 DHADMM O=C(Nc1nc(-c2ccco2)cs1)c1cccc([O-])c1F ZINC001136667662 1030201732 /nfs/dbraw/zinc/20/17/32/1030201732.db2.gz NAIZQANSVYCHML-UHFFFAOYSA-N -1 1 304.302 3.500 20 0 DHADMM CCc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000533690978 1030523680 /nfs/dbraw/zinc/52/36/80/1030523680.db2.gz ZRVYMYPKEUKZAP-UHFFFAOYSA-N -1 1 313.781 3.842 20 0 DHADMM Cc1cnc(C(=O)N(Cc2ccccc2)CC2CCC2)c([O-])c1 ZINC000358593171 1030550023 /nfs/dbraw/zinc/55/00/23/1030550023.db2.gz KDQAHIAYFLVZRG-UHFFFAOYSA-N -1 1 310.397 3.538 20 0 DHADMM COc1cc(C(=O)N(CC(C)C)CC(C)C)cc(Cl)c1[O-] ZINC000358602260 1030554266 /nfs/dbraw/zinc/55/42/66/1030554266.db2.gz OAGBRISOHKXPNI-UHFFFAOYSA-N -1 1 313.825 3.808 20 0 DHADMM Cc1cnc(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c([O-])c1 ZINC000358712025 1030594738 /nfs/dbraw/zinc/59/47/38/1030594738.db2.gz CEPPOWFJOZLPAY-LBPRGKRZSA-N -1 1 310.353 3.675 20 0 DHADMM Cc1nc([N-]S(=O)(=O)CCC2CC2)ccc1-c1ccccc1 ZINC000558596483 1030670565 /nfs/dbraw/zinc/67/05/65/1030670565.db2.gz MWIUPLDFWATYBU-UHFFFAOYSA-N -1 1 316.426 3.599 20 0 DHADMM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1ccc([O-])cc1F ZINC001149192348 1030893422 /nfs/dbraw/zinc/89/34/22/1030893422.db2.gz IDCWUECIOLPBHW-HIFRSBDPSA-N -1 1 313.372 3.625 20 0 DHADMM CCOc1ccc2nc(-c3coc(C4CCC4)n3)[n-]c(=O)c2c1 ZINC000871602172 1031244924 /nfs/dbraw/zinc/24/49/24/1031244924.db2.gz LOVMHZZGSIGBMI-UHFFFAOYSA-N -1 1 311.341 3.657 20 0 DHADMM Cc1cnc(C(=O)N2CCC[C@H]2[C@@H](C)c2ccccc2)c([O-])c1 ZINC000928384672 1031294557 /nfs/dbraw/zinc/29/45/57/1031294557.db2.gz LUCWWLWLQJFJII-HOCLYGCPSA-N -1 1 310.397 3.504 20 0 DHADMM CC(C)(C)c1nc(-c2nc(-c3ccc([O-])c(F)c3)no2)co1 ZINC000871843743 1031341717 /nfs/dbraw/zinc/34/17/17/1031341717.db2.gz ZDSLFDJVWGUNPW-UHFFFAOYSA-N -1 1 303.293 3.534 20 0 DHADMM Cc1c(C[S@@](C)=O)cccc1NCc1cccc([O-])c1Cl ZINC000293161555 1031354688 /nfs/dbraw/zinc/35/46/88/1031354688.db2.gz FPUDGZUCNKIGLE-OAQYLSRUSA-N -1 1 323.845 3.845 20 0 DHADMM Cc1noc(C(C)C)c1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000928780408 1031374995 /nfs/dbraw/zinc/37/49/95/1031374995.db2.gz NBHLOSVDPMELCY-UHFFFAOYSA-N -1 1 308.765 3.647 20 0 DHADMM CC1(C)CCc2c([n-]n(Cc3cnc4ccccc4c3)c2=O)C1 ZINC000871959298 1031388543 /nfs/dbraw/zinc/38/85/43/1031388543.db2.gz OZXKLWPTZMCVOL-HNNXBMFYSA-N -1 1 307.397 3.759 20 0 DHADMM CC(C)[C@@H]1CCc2[n-]n([C@H]3CCOC4(CCCC4)C3)c(=O)c2C1 ZINC000871963099 1031389744 /nfs/dbraw/zinc/38/97/44/1031389744.db2.gz DTVIFCGCEXVDPB-OWCLPIDISA-N -1 1 318.461 3.749 20 0 DHADMM CCCOc1ncccc1CNCc1cccc([O-])c1Cl ZINC000293526408 1031500456 /nfs/dbraw/zinc/50/04/56/1031500456.db2.gz IZIVJJJYTJPFCG-UHFFFAOYSA-N -1 1 306.793 3.519 20 0 DHADMM C[C@]1(C(F)(F)F)CCN(Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000872166492 1031542707 /nfs/dbraw/zinc/54/27/07/1031542707.db2.gz KJXULTUMAUYNTI-ZDUSSCGKSA-N -1 1 321.726 3.813 20 0 DHADMM C[C@@H](NC(=O)c1cncc([O-])c1)c1ccc(F)c2ccccc21 ZINC000360797881 1031566552 /nfs/dbraw/zinc/56/65/52/1031566552.db2.gz BRPJZAOLQSVWFE-LLVKDONJSA-N -1 1 310.328 3.571 20 0 DHADMM C[C@]12CCN(C(=O)c3ccc4ccccc4c3[O-])C[C@H]1C2(F)F ZINC000293736040 1031594916 /nfs/dbraw/zinc/59/49/16/1031594916.db2.gz UUTKFULRHWSDLD-PBHICJAKSA-N -1 1 317.335 3.663 20 0 DHADMM C[C@@H]1CC2(CCC2)CN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897571289 1031632984 /nfs/dbraw/zinc/63/29/84/1031632984.db2.gz MZPXTBXZYLZFLR-GFCCVEGCSA-N -1 1 311.381 3.656 20 0 DHADMM CSCc1cccc(CNC(=O)c2c([O-])cccc2Cl)c1 ZINC000783826778 1031663874 /nfs/dbraw/zinc/66/38/74/1031663874.db2.gz QBKRKCNAFXARQW-UHFFFAOYSA-N -1 1 321.829 3.839 20 0 DHADMM CC(C)CCN(C)C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC000930032575 1031681567 /nfs/dbraw/zinc/68/15/67/1031681567.db2.gz SELGVJPSLMHSIH-UHFFFAOYSA-N -1 1 315.369 3.583 20 0 DHADMM O=C1CN(Cc2c(F)cc([O-])cc2F)Cc2ccc(Cl)cc21 ZINC001144567552 1031720682 /nfs/dbraw/zinc/72/06/82/1031720682.db2.gz RHCXDVIQVCFSLI-UHFFFAOYSA-N -1 1 323.726 3.522 20 0 DHADMM [O-]c1cc(F)c(CN2CCc3c(Cl)cccc3C2)cc1F ZINC001144657660 1031794698 /nfs/dbraw/zinc/79/46/98/1031794698.db2.gz CGBFPJBKIVPNMI-UHFFFAOYSA-N -1 1 309.743 3.882 20 0 DHADMM [O-]c1cc(F)c(CN2CCC[C@@H](Oc3ccccc3)C2)cc1F ZINC001144666153 1031800393 /nfs/dbraw/zinc/80/03/93/1031800393.db2.gz HOJSYRVXLDKADD-OAHLLOKOSA-N -1 1 319.351 3.714 20 0 DHADMM COc1ccccc1[C@H](C)N(C)Cc1cc(F)c([O-])cc1F ZINC001144658164 1031813917 /nfs/dbraw/zinc/81/39/17/1031813917.db2.gz TWIYDDFXXPVBFJ-NSHDSACASA-N -1 1 307.340 3.872 20 0 DHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC[C@H](C2CC2)C1 ZINC000897778166 1031814919 /nfs/dbraw/zinc/81/49/19/1031814919.db2.gz ACXUNPBWCAVUFN-AWEZNQCLSA-N -1 1 311.381 3.513 20 0 DHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC[C@@H](C2CCC2)C1 ZINC000897985734 1031915046 /nfs/dbraw/zinc/91/50/46/1031915046.db2.gz OYXZCYMAMJLFLQ-CQSZACIVSA-N -1 1 311.381 3.513 20 0 DHADMM Cc1ccccc1C[C@@H](C)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001142545893 1031996596 /nfs/dbraw/zinc/99/65/96/1031996596.db2.gz LXSBPNTUCQNZJC-LLVKDONJSA-N -1 1 305.324 3.796 20 0 DHADMM O=C(Nc1cc(F)cc(F)c1[O-])c1nccc2ccsc21 ZINC001142542932 1032006695 /nfs/dbraw/zinc/00/66/95/1032006695.db2.gz XDSKWCVZAGZLMD-UHFFFAOYSA-N -1 1 306.293 3.532 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N(Cc1cccs1)C1CC1 ZINC000042354622 1032026580 /nfs/dbraw/zinc/02/65/80/1032026580.db2.gz UQUHQCMSNLROTG-UHFFFAOYSA-N -1 1 307.802 3.912 20 0 DHADMM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000479528402 1033790084 /nfs/dbraw/zinc/79/00/84/1033790084.db2.gz QHTARASGAXHTSZ-UHFFFAOYSA-N -1 1 322.386 3.545 20 0 DHADMM Cc1coc2ccc([N-]S(=O)(=O)c3cccc(C)c3)cc12 ZINC000479549148 1033805850 /nfs/dbraw/zinc/80/58/50/1033805850.db2.gz WNCFIRVBAVJHHE-UHFFFAOYSA-N -1 1 301.367 3.850 20 0 DHADMM C[C@@](O)(C(=O)Nc1cc(Cl)c([O-])c2ccccc12)C1CCC1 ZINC000862295621 1033813361 /nfs/dbraw/zinc/81/33/61/1033813361.db2.gz OSQOGGDLGMTHGT-KRWDZBQOSA-N -1 1 319.788 3.688 20 0 DHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2c(C)cccc2C)c1 ZINC001173873514 1033904830 /nfs/dbraw/zinc/90/48/30/1033904830.db2.gz GFAUPRXOGVPBLP-UHFFFAOYSA-N -1 1 305.399 3.546 20 0 DHADMM O=C(N[C@@H](c1ccccn1)C1CCC1)c1c([O-])cccc1Cl ZINC000862744601 1033921348 /nfs/dbraw/zinc/92/13/48/1033921348.db2.gz GCOCOTPRUFSBGD-MRXNPFEDSA-N -1 1 316.788 3.712 20 0 DHADMM CCOC(=O)c1cnoc1[N-]c1ccccc1C(F)(F)F ZINC001173841837 1033924372 /nfs/dbraw/zinc/92/43/72/1033924372.db2.gz IHSSJSSBBSQVTO-UHFFFAOYSA-N -1 1 300.236 3.614 20 0 DHADMM CCCCNC(=O)c1cccc(Nc2cc(F)c([O-])cc2F)c1 ZINC001174191038 1034210530 /nfs/dbraw/zinc/21/05/30/1034210530.db2.gz JUYQEKFNQWQJBG-UHFFFAOYSA-N -1 1 320.339 3.944 20 0 DHADMM CC(C)CNC(=O)c1cccc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001174193976 1034213398 /nfs/dbraw/zinc/21/33/98/1034213398.db2.gz OLXMBBOQGGDNHJ-UHFFFAOYSA-N -1 1 320.339 3.800 20 0 DHADMM Cc1nn(C)c(C)c1[N-]c1nc2cc(Br)ccc2o1 ZINC001174223928 1034232684 /nfs/dbraw/zinc/23/26/84/1034232684.db2.gz HWNZPIPFHISHOA-UHFFFAOYSA-N -1 1 321.178 3.684 20 0 DHADMM [O-]c1c(Br)c(F)ccc1Nc1cncc(F)c1 ZINC001174294332 1034254026 /nfs/dbraw/zinc/25/40/26/1034254026.db2.gz NKSLBTNVHAWGGK-UHFFFAOYSA-N -1 1 301.090 3.572 20 0 DHADMM Cc1c(Cl)cc(Nc2ccc3ncnn3c2)c([O-])c1Cl ZINC001174375682 1034348441 /nfs/dbraw/zinc/34/84/41/1034348441.db2.gz LUNXCEGPZPHTKE-UHFFFAOYSA-N -1 1 309.156 3.794 20 0 DHADMM CCc1nc(CNCc2cccc(Cl)c2C)ccc1C(=O)[O-] ZINC000864505970 1034367682 /nfs/dbraw/zinc/36/76/82/1034367682.db2.gz XSAOZMVIAMURHB-UHFFFAOYSA-N -1 1 318.804 3.594 20 0 DHADMM COCCCCCSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000185054893 1034525560 /nfs/dbraw/zinc/52/55/60/1034525560.db2.gz TYJWGMITHYWATF-UHFFFAOYSA-N -1 1 318.442 3.654 20 0 DHADMM C[C@]1(CNC(=O)c2c([O-])cccc2Cl)CCOC2(CCC2)C1 ZINC000899489333 1034706162 /nfs/dbraw/zinc/70/61/62/1034706162.db2.gz VRAYEHSIBWZIOO-INIZCTEOSA-N -1 1 323.820 3.515 20 0 DHADMM CCOC(=O)c1cnoc1[N-]c1cc(C(F)(F)F)ccc1F ZINC001175074966 1034796758 /nfs/dbraw/zinc/79/67/58/1034796758.db2.gz AARGOWBPGUSDGO-UHFFFAOYSA-N -1 1 318.226 3.753 20 0 DHADMM CCOC(=O)c1cnoc1[N-]c1cccc(C(F)(F)F)c1F ZINC001175135190 1034833505 /nfs/dbraw/zinc/83/35/05/1034833505.db2.gz DPUXDTUOUSMMDD-UHFFFAOYSA-N -1 1 318.226 3.753 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)C2(C)CCCC2)c1 ZINC000482534956 1035129897 /nfs/dbraw/zinc/12/98/97/1035129897.db2.gz OISHRMSHHFSRPC-UHFFFAOYSA-N -1 1 312.207 3.982 20 0 DHADMM C[C@H]1[C@@H](C)N(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C[C@H]1C ZINC000668060077 1035122992 /nfs/dbraw/zinc/12/29/92/1035122992.db2.gz RNHQRRDNYWAEHU-OPRDCNLKSA-N -1 1 301.308 3.528 20 0 DHADMM CSc1nc(Nc2ccc(-c3ccccc3)nc2)cc(=O)[n-]1 ZINC001175832549 1035126887 /nfs/dbraw/zinc/12/68/87/1035126887.db2.gz GSPNFOYLEBLMLV-UHFFFAOYSA-N -1 1 310.382 3.710 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)CCC(C)C)c1 ZINC000482560706 1035134866 /nfs/dbraw/zinc/13/48/66/1035134866.db2.gz VKUCIHDHFZOOOZ-UHFFFAOYSA-N -1 1 300.196 3.838 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CC[C@H](C)C2)c1 ZINC000482608737 1035144855 /nfs/dbraw/zinc/14/48/55/1035144855.db2.gz WFHWGMHEWAWNPO-WPRPVWTQSA-N -1 1 312.207 3.838 20 0 DHADMM COc1ccc(Nc2cc(Cl)c([O-])cc2Cl)cc1CO ZINC001175985156 1035174246 /nfs/dbraw/zinc/17/42/46/1035174246.db2.gz CDSXSVVLLKHATE-UHFFFAOYSA-N -1 1 314.168 3.944 20 0 DHADMM COc1ccc(Nc2cc(Cl)cc(Cl)c2[O-])cc1CO ZINC001175985440 1035174303 /nfs/dbraw/zinc/17/43/03/1035174303.db2.gz JYWMZBBAQCUCFA-UHFFFAOYSA-N -1 1 314.168 3.944 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@H](c2nccs2)C1 ZINC001176027794 1035187760 /nfs/dbraw/zinc/18/77/60/1035187760.db2.gz BQHYOCKBOVYJLN-CQSZACIVSA-N -1 1 324.405 3.632 20 0 DHADMM [O-]c1c(Nc2ccc3nonc3c2)ccc(F)c1Br ZINC001176327156 1035241763 /nfs/dbraw/zinc/24/17/63/1035241763.db2.gz JQYOTPAORFZCAD-UHFFFAOYSA-N -1 1 324.109 3.574 20 0 DHADMM CC(C)(C)c1nc(COC(=O)c2ccc([O-])cc2F)cs1 ZINC000773567006 1035249427 /nfs/dbraw/zinc/24/94/27/1035249427.db2.gz RUUMHVBMBWQYAX-UHFFFAOYSA-N -1 1 309.362 3.642 20 0 DHADMM [S-]c1ccccc1Nc1ccc(CCN2CCOCC2)cc1 ZINC001176383806 1035252545 /nfs/dbraw/zinc/25/25/45/1035252545.db2.gz VHXOIYSFTUDBOH-UHFFFAOYSA-N -1 1 314.454 3.594 20 0 DHADMM O=C(OCc1cc(-c2cccs2)on1)c1ccc([O-])cc1F ZINC000773572626 1035260783 /nfs/dbraw/zinc/26/07/83/1035260783.db2.gz KALUQYQRUCUPOC-UHFFFAOYSA-N -1 1 319.313 3.605 20 0 DHADMM CCN(C)C(=O)c1cccc(Nc2c([O-])cc(F)cc2F)c1 ZINC001176465670 1035274936 /nfs/dbraw/zinc/27/49/36/1035274936.db2.gz DNROOGBOFZWSEF-UHFFFAOYSA-N -1 1 306.312 3.506 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ccnn2-c2ccccc2)c1F ZINC001176663651 1035309414 /nfs/dbraw/zinc/30/94/14/1035309414.db2.gz GVOSAUSEVSWKIU-UHFFFAOYSA-N -1 1 305.259 3.739 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ccc(N3CCCCC3)nc2)c1F ZINC001176663428 1035309425 /nfs/dbraw/zinc/30/94/25/1035309425.db2.gz FAJOHMCQWBEHGU-UHFFFAOYSA-N -1 1 323.318 3.938 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ncccc2OC(F)F)c1F ZINC001176664315 1035309491 /nfs/dbraw/zinc/30/94/91/1035309491.db2.gz UFMRHUFZXGFXBP-UHFFFAOYSA-N -1 1 306.190 3.550 20 0 DHADMM CC(C)NC(=O)c1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1 ZINC001176671418 1035310639 /nfs/dbraw/zinc/31/06/39/1035310639.db2.gz CQVXHDUOZOUDCJ-UHFFFAOYSA-N -1 1 324.302 3.691 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ccc3c(c2)[C@H](O)CCC3)c1F ZINC001176670251 1035310693 /nfs/dbraw/zinc/31/06/93/1035310693.db2.gz CAFFBGFAFKIJCL-CYBMUJFWSA-N -1 1 309.287 3.923 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cc(Cl)cc(CO)c2)c1F ZINC001176671031 1035310753 /nfs/dbraw/zinc/31/07/53/1035310753.db2.gz RFCZBQTUTXYCMZ-UHFFFAOYSA-N -1 1 303.667 3.699 20 0 DHADMM Nc1cc(Cl)cc2ccn(-c3c(F)cc(F)c([O-])c3F)c21 ZINC001176673483 1035311505 /nfs/dbraw/zinc/31/15/05/1035311505.db2.gz HSWRGOQGMLFKJE-UHFFFAOYSA-N -1 1 312.678 3.989 20 0 DHADMM CC(=O)c1cc(Nc2c(F)cc(F)c([O-])c2F)cc(C(C)=O)c1 ZINC001176674141 1035311819 /nfs/dbraw/zinc/31/18/19/1035311819.db2.gz RFRFHLMSFWTFBJ-UHFFFAOYSA-N -1 1 323.270 3.958 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cnccc2OC(F)F)c1F ZINC001176663338 1035318074 /nfs/dbraw/zinc/31/80/74/1035318074.db2.gz FTHYTPQDCMIDSS-UHFFFAOYSA-N -1 1 306.190 3.550 20 0 DHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(Cl)cc2)c1 ZINC001176725943 1035318938 /nfs/dbraw/zinc/31/89/38/1035318938.db2.gz MMHDTNDAIZREAC-UHFFFAOYSA-N -1 1 311.790 3.583 20 0 DHADMM Cc1cc(C)c(/C=C/CNCc2nc(C(=O)[O-])cs2)c(C)c1 ZINC000903996543 1035338170 /nfs/dbraw/zinc/33/81/70/1035338170.db2.gz GVJVEWWLPSDHMH-SNAWJCMRSA-N -1 1 316.426 3.570 20 0 DHADMM Cc1ccc(CN[C@@H](CC(=O)[O-])c2ccccc2F)cc1C ZINC000904045705 1035352030 /nfs/dbraw/zinc/35/20/30/1035352030.db2.gz MZLKIDSCUSYVBV-KRWDZBQOSA-N -1 1 301.361 3.748 20 0 DHADMM CC1(C)CN(C(=O)c2ccc(O)cc2[O-])c2cccc(Cl)c21 ZINC000194927714 1035361953 /nfs/dbraw/zinc/36/19/53/1035361953.db2.gz ASOXVGGPUCPIHO-UHFFFAOYSA-N -1 1 317.772 3.689 20 0 DHADMM [O-]c1ccc(Cc2nc(Cc3cccs3)no2)cc1Cl ZINC000904338420 1035399416 /nfs/dbraw/zinc/39/94/16/1035399416.db2.gz BDADOHWMVDFFAI-UHFFFAOYSA-N -1 1 306.774 3.672 20 0 DHADMM C[C@H](CNC(=O)c1ccc(C(F)(F)F)c([O-])c1)C(C)(C)C ZINC001178013210 1035404641 /nfs/dbraw/zinc/40/46/41/1035404641.db2.gz JGUNMQVWUZUHQE-SECBINFHSA-N -1 1 303.324 3.823 20 0 DHADMM CCc1cc(=O)[n-]c(S[C@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000195072342 1035408934 /nfs/dbraw/zinc/40/89/34/1035408934.db2.gz SGFFQJIWKGAKQA-MRVPVSSYSA-N -1 1 312.797 3.978 20 0 DHADMM CCc1oc2ccccc2c1CN(C)Cc1ccoc1C(=O)[O-] ZINC000568873833 1035510561 /nfs/dbraw/zinc/51/05/61/1035510561.db2.gz GDMKBTMEBFVMDS-UHFFFAOYSA-N -1 1 313.353 3.918 20 0 DHADMM CC[C@@]1(C)CCCN(Cc2ncc(Br)cc2[O-])C1 ZINC001179956614 1035559175 /nfs/dbraw/zinc/55/91/75/1035559175.db2.gz HCPRARWPZVOZLI-AWEZNQCLSA-N -1 1 313.239 3.562 20 0 DHADMM CC(C)[C@@H]1CCc2nc(NC(=O)c3ccccc3[O-])sc2C1 ZINC001180110142 1035600224 /nfs/dbraw/zinc/60/02/24/1035600224.db2.gz MXQOQFHZSAAYDI-LLVKDONJSA-N -1 1 316.426 3.862 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1cc(F)cc(C(F)(F)F)c1 ZINC000535421896 1035618010 /nfs/dbraw/zinc/61/80/10/1035618010.db2.gz YMOUAZUREMRENG-UHFFFAOYSA-N -1 1 317.213 3.942 20 0 DHADMM COC1(CNC(=O)c2c([O-])cccc2Cl)CCCCCC1 ZINC001180170977 1035620128 /nfs/dbraw/zinc/62/01/28/1035620128.db2.gz KVLHFZIPDGIXFB-UHFFFAOYSA-N -1 1 311.809 3.515 20 0 DHADMM O=C(Nc1ccc(Br)cc1[O-])OC1CCCC1 ZINC001193556163 1035674456 /nfs/dbraw/zinc/67/44/56/1035674456.db2.gz VGKPSOBHZORYSC-UHFFFAOYSA-N -1 1 300.152 3.646 20 0 DHADMM CC[C@H](Sc1ncc(C)c(=O)[n-]1)C(=O)c1ccc(Cl)cc1 ZINC000569020924 1035723490 /nfs/dbraw/zinc/72/34/90/1035723490.db2.gz KGIDVYLKWCVXTD-LBPRGKRZSA-N -1 1 322.817 3.898 20 0 DHADMM Cc1ccc(C(C)C)cc1[N-]S(=O)(=O)c1ccccc1N ZINC001193929293 1035761786 /nfs/dbraw/zinc/76/17/86/1035761786.db2.gz NATXWPKOILMMOM-UHFFFAOYSA-N -1 1 304.415 3.501 20 0 DHADMM Cc1noc(C2CC2)c1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000192266445 1035784275 /nfs/dbraw/zinc/78/42/75/1035784275.db2.gz HYSNLVJQYXIPHR-UHFFFAOYSA-N -1 1 307.737 3.863 20 0 DHADMM CN1CCc2ccc(NC(=O)Nc3ccc([O-])c(Cl)c3)cc21 ZINC000192253992 1035785417 /nfs/dbraw/zinc/78/54/17/1035785417.db2.gz FYGMGBGEYPWTEX-UHFFFAOYSA-N -1 1 317.776 3.682 20 0 DHADMM CCCC[C@@H](CC)COC(=O)NCC(=O)c1ccc([O-])cc1 ZINC001193980409 1035787522 /nfs/dbraw/zinc/78/75/22/1035787522.db2.gz GFTUAJARUIADON-CYBMUJFWSA-N -1 1 307.390 3.518 20 0 DHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(F)F)c1 ZINC000195451485 1035897947 /nfs/dbraw/zinc/89/79/47/1035897947.db2.gz IFHUVERAFGSEPX-UHFFFAOYSA-N -1 1 315.316 3.873 20 0 DHADMM COc1cc(Nc2cc(Cl)c([O-])cc2F)cc(Cl)n1 ZINC001250020399 1035978517 /nfs/dbraw/zinc/97/85/17/1035978517.db2.gz UERVEXRZULKQIQ-UHFFFAOYSA-N -1 1 303.120 3.985 20 0 DHADMM Cc1ccc2cccnc2c1[N-]S(=O)(=O)CC[Si](C)(C)C ZINC001195071873 1036124929 /nfs/dbraw/zinc/12/49/29/1036124929.db2.gz HKQJVHSKDBBQFV-UHFFFAOYSA-N -1 1 322.506 3.623 20 0 DHADMM COc1ccc2nc(-c3ccc4sccc4c3)[n-]c(=O)c2c1 ZINC000467533194 1036162109 /nfs/dbraw/zinc/16/21/09/1036162109.db2.gz UQRMGYACYUZBBQ-UHFFFAOYSA-N -1 1 308.362 3.813 20 0 DHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc([C@H](C)O)cc2)c1 ZINC001195155979 1036162150 /nfs/dbraw/zinc/16/21/50/1036162150.db2.gz DEENAVDZWDIBCS-ZDUSSCGKSA-N -1 1 319.426 3.664 20 0 DHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccccc2[C@@H](C)O)c1 ZINC001195158817 1036165311 /nfs/dbraw/zinc/16/53/11/1036165311.db2.gz HFFRGCGVUGLACR-CYBMUJFWSA-N -1 1 319.426 3.664 20 0 DHADMM CCOc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc(Cl)c1[O-] ZINC000193149135 1036212995 /nfs/dbraw/zinc/21/29/95/1036212995.db2.gz SLUYOTMHJKMQEG-GHMZBOCLSA-N -1 1 311.809 3.562 20 0 DHADMM Cc1ccc([O-])c(C(=O)Nc2cnc3cc(Cl)ccc3c2)n1 ZINC001195319505 1036218452 /nfs/dbraw/zinc/21/84/52/1036218452.db2.gz SEXGTAXNLPLNJQ-UHFFFAOYSA-N -1 1 313.744 3.550 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1cc(C)c(Cl)c(Cl)c1 ZINC001195494653 1036273086 /nfs/dbraw/zinc/27/30/86/1036273086.db2.gz ORHNXUZDBNGWMF-UHFFFAOYSA-N -1 1 307.202 3.745 20 0 DHADMM CC(C)c1cc(C(=O)N=c2sccn2C)c([O-])c(C(C)C)c1 ZINC001142685375 1036375065 /nfs/dbraw/zinc/37/50/65/1036375065.db2.gz VRYIEPDSMVNVMF-UHFFFAOYSA-N -1 1 318.442 3.780 20 0 DHADMM Cc1ccc(F)cc1NC(=S)Nc1cc(F)c([O-])c(F)c1 ZINC001195912708 1036382836 /nfs/dbraw/zinc/38/28/36/1036382836.db2.gz DWLVOKSVPFEZNF-UHFFFAOYSA-N -1 1 312.316 3.927 20 0 DHADMM CC(C)(C)SCC(=O)Nc1cccc([O-])c1Br ZINC000908714323 1036488732 /nfs/dbraw/zinc/48/87/32/1036488732.db2.gz IXMMVUILTORBMW-UHFFFAOYSA-N -1 1 318.236 3.625 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(F)c2F)c(F)c1 ZINC001196383473 1036514357 /nfs/dbraw/zinc/51/43/57/1036514357.db2.gz SNIQCQQPIHDELH-UHFFFAOYSA-N -1 1 315.316 3.522 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cc2cc(Cl)ccc2[nH]1 ZINC001183210756 1036549592 /nfs/dbraw/zinc/54/95/92/1036549592.db2.gz XEBTXHTUBFGRJC-UHFFFAOYSA-N -1 1 322.151 3.828 20 0 DHADMM CC(C)(C)c1ccc(C(=O)Nc2cc([O-])c(F)cc2F)nc1 ZINC000909988178 1036742090 /nfs/dbraw/zinc/74/20/90/1036742090.db2.gz YOYFMEBVRWMUKD-UHFFFAOYSA-N -1 1 306.312 3.615 20 0 DHADMM [O-]c1cc(F)ccc1NC(=S)NCc1ccc(Cl)cc1 ZINC001197571235 1036805923 /nfs/dbraw/zinc/80/59/23/1036805923.db2.gz GRWBYCZMUDUHLX-UHFFFAOYSA-N -1 1 310.781 3.671 20 0 DHADMM O=S(=O)(Cc1c(F)cccc1F)[N-]c1ccc2c(c1)N=NC2 ZINC001197608857 1036806642 /nfs/dbraw/zinc/80/66/42/1036806642.db2.gz YFFFJGSGTPUFCZ-UHFFFAOYSA-N -1 1 323.324 3.504 20 0 DHADMM O=c1nc(Cl)cc(Sc2ncc(-c3ccc(F)cc3)o2)[n-]1 ZINC001184719663 1036935282 /nfs/dbraw/zinc/93/52/82/1036935282.db2.gz FABUHDCYKFJFOC-UHFFFAOYSA-N -1 1 323.736 3.781 20 0 DHADMM CCS[C@H]1CCC[C@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC001294398103 1036937938 /nfs/dbraw/zinc/93/79/38/1036937938.db2.gz YXJSSEMXWJSPDX-RYUDHWBXSA-N -1 1 313.850 3.840 20 0 DHADMM CCC/C(C)=C\C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000762789056 1036940093 /nfs/dbraw/zinc/94/00/93/1036940093.db2.gz VMUMBUKAQJXATM-YPKPFQOOSA-N -1 1 315.413 3.560 20 0 DHADMM COc1ccccc1C/C(C)=C/C(=O)Nc1c([O-])cccc1F ZINC000762803664 1036949919 /nfs/dbraw/zinc/94/99/19/1036949919.db2.gz DJVRCURVIKDVAZ-VAWYXSNFSA-N -1 1 315.344 3.667 20 0 DHADMM CCC(CC)n1nc(C)cc1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910982045 1037020424 /nfs/dbraw/zinc/02/04/24/1037020424.db2.gz HTKUWAVJSVAJDF-UHFFFAOYSA-N -1 1 323.343 3.789 20 0 DHADMM CSCc1ccc(-c2nc3cccc(F)c3c(=O)[n-]2)cc1 ZINC000609224196 1037076325 /nfs/dbraw/zinc/07/63/25/1037076325.db2.gz TXLXCYWETSPLGK-UHFFFAOYSA-N -1 1 300.358 3.592 20 0 DHADMM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc3occc3c2)c1 ZINC001198860689 1037150087 /nfs/dbraw/zinc/15/00/87/1037150087.db2.gz AJJUDVNZXBTFEL-UHFFFAOYSA-N -1 1 305.330 3.681 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)cc1F ZINC001185485659 1037157486 /nfs/dbraw/zinc/15/74/86/1037157486.db2.gz WNJABEOIGYFJOF-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM COc1ccc(CNC(=O)Nc2cc([O-])c(Cl)cc2F)cc1 ZINC001185542939 1037186214 /nfs/dbraw/zinc/18/62/14/1037186214.db2.gz RPDFZHYNLLDIPW-UHFFFAOYSA-N -1 1 324.739 3.515 20 0 DHADMM CC(C)(C)Cc1cc([N-]C(=O)c2cnoc2C(F)(F)F)on1 ZINC001199046381 1037186705 /nfs/dbraw/zinc/18/67/05/1037186705.db2.gz DBFSAYABLUWDQV-UHFFFAOYSA-N -1 1 317.267 3.522 20 0 DHADMM COCc1cccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000026547203 1037229469 /nfs/dbraw/zinc/22/94/69/1037229469.db2.gz OLFWOQIFSKRPBA-UHFFFAOYSA-N -1 1 319.426 3.757 20 0 DHADMM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2C)ccc1Cl ZINC001185824828 1037252785 /nfs/dbraw/zinc/25/27/85/1037252785.db2.gz SULXGHXSRKTNQT-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM CCC(CC)[C@H](C)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000761498864 1037328901 /nfs/dbraw/zinc/32/89/01/1037328901.db2.gz SOYLUVBLOUALTQ-LBPRGKRZSA-N -1 1 306.402 3.753 20 0 DHADMM COc1cccc(CNC(=O)Nc2cc([O-])c(Cl)cc2F)c1 ZINC001186205042 1037334777 /nfs/dbraw/zinc/33/47/77/1037334777.db2.gz KPBFCSUJNWEDEV-UHFFFAOYSA-N -1 1 324.739 3.515 20 0 DHADMM Cc1ccc(CNC(=O)c2ccc([O-])c(F)c2)c2ccccc12 ZINC001186234106 1037338976 /nfs/dbraw/zinc/33/89/76/1037338976.db2.gz QIMJGMOVNXILDF-UHFFFAOYSA-N -1 1 309.340 3.923 20 0 DHADMM Cc1cc([C@H](C)NC(=O)c2ccc([O-])c(F)c2)ccc1Cl ZINC001186233385 1037339043 /nfs/dbraw/zinc/33/90/43/1037339043.db2.gz KDBUKGDZLKUZIU-JTQLQIEISA-N -1 1 307.752 3.984 20 0 DHADMM O=C(Nc1ccc(C2CCOCC2)cc1)c1ccc([O-])cc1F ZINC001186328514 1037357781 /nfs/dbraw/zinc/35/77/81/1037357781.db2.gz FAHQILHWHRDNRU-UHFFFAOYSA-N -1 1 315.344 3.678 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CCC[C@H]1c1ccc(F)cc1F ZINC001186326846 1037359058 /nfs/dbraw/zinc/35/90/58/1037359058.db2.gz JFBAFZDIURMSJR-INIZCTEOSA-N -1 1 321.298 3.787 20 0 DHADMM O=C(Nc1cc(-c2ccc(F)cc2)no1)c1ccc([O-])cc1F ZINC001186311358 1037364429 /nfs/dbraw/zinc/36/44/29/1037364429.db2.gz ROGKMXWUUZOXKT-UHFFFAOYSA-N -1 1 316.263 3.578 20 0 DHADMM [O-]c1cc(NC(=S)NCC2CCCCC2)c(F)cc1F ZINC001199922361 1037368741 /nfs/dbraw/zinc/36/87/41/1037368741.db2.gz BBCGTCCAEASMDR-UHFFFAOYSA-N -1 1 300.374 3.537 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)N[C@@H]1CCCc2ccccc21 ZINC001186458985 1037423104 /nfs/dbraw/zinc/42/31/04/1037423104.db2.gz WPHQVBCTIWOJFG-CQSZACIVSA-N -1 1 318.323 3.870 20 0 DHADMM CCCc1ccc(S(=O)(=O)[N-]c2ccccc2COC)cc1 ZINC000055595267 1037442779 /nfs/dbraw/zinc/44/27/79/1037442779.db2.gz ZUIADRWPOMPLJW-UHFFFAOYSA-N -1 1 319.426 3.586 20 0 DHADMM [O-]c1cc(NC(=S)Nc2ccc(F)cc2F)c(F)cc1F ZINC001200927842 1037465779 /nfs/dbraw/zinc/46/57/79/1037465779.db2.gz ITLQMVJEFYHJQX-UHFFFAOYSA-N -1 1 316.279 3.758 20 0 DHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])[C@@H]1CCC(F)(F)C1 ZINC001186888271 1037515557 /nfs/dbraw/zinc/51/55/57/1037515557.db2.gz LNIFIRZOZVWSJF-SSDOTTSWSA-N -1 1 309.234 3.785 20 0 DHADMM Cc1cc(C)cc(NC(=S)Nc2cc(Cl)ncc2[O-])c1 ZINC001201198742 1037564889 /nfs/dbraw/zinc/56/48/89/1037564889.db2.gz LARPGMZTBCQWLX-UHFFFAOYSA-N -1 1 307.806 3.866 20 0 DHADMM CCCOc1c(F)c(F)c([N-]c2cnns2)c(F)c1F ZINC001201298944 1037595967 /nfs/dbraw/zinc/59/59/67/1037595967.db2.gz XPXXMRCGDDKPNT-UHFFFAOYSA-N -1 1 307.272 3.627 20 0 DHADMM CC[C@H](O)[C@H](C)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000912858413 1037629305 /nfs/dbraw/zinc/62/93/05/1037629305.db2.gz ODXISCRVGIZJMJ-XPTSAGLGSA-N -1 1 307.777 3.544 20 0 DHADMM O=C(Nc1cc(F)cc(F)c1)Nc1cc(F)c([O-])c(F)c1 ZINC001187569947 1037662574 /nfs/dbraw/zinc/66/25/74/1037662574.db2.gz BJJAHRQNOKAFKM-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM O=C(Nc1cc(F)cc(F)c1)Nc1c(F)cc([O-])cc1F ZINC001187580076 1037669813 /nfs/dbraw/zinc/66/98/13/1037669813.db2.gz OFYVTYTVBLSXAX-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM [O-]c1cccc(CNc2cnn(Cc3ccccc3)c2)c1Cl ZINC000328212041 1037698089 /nfs/dbraw/zinc/69/80/89/1037698089.db2.gz IVCCGGCQPOZWFA-UHFFFAOYSA-N -1 1 313.788 3.903 20 0 DHADMM CCCC[C@@H](CCC)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC001187751122 1037719778 /nfs/dbraw/zinc/71/97/78/1037719778.db2.gz FWESLYQAAFICPL-SNVBAGLBSA-N -1 1 309.378 3.854 20 0 DHADMM C[C@@H]1CC(C)(C)CC[C@@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC001187760740 1037723858 /nfs/dbraw/zinc/72/38/58/1037723858.db2.gz OEYXPAQAKJVDBM-OCCSQVGLSA-N -1 1 321.442 3.926 20 0 DHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC=CC12CCCC2 ZINC000913205849 1037761729 /nfs/dbraw/zinc/76/17/29/1037761729.db2.gz MJXGBYVTYMJMDV-UHFFFAOYSA-N -1 1 309.365 3.576 20 0 DHADMM CCCc1cc(=O)[n-]c(SCC2([C@H]3CCCCO3)CCC2)n1 ZINC001188163075 1037831782 /nfs/dbraw/zinc/83/17/82/1037831782.db2.gz NVNFPQYYZKBZEZ-CQSZACIVSA-N -1 1 322.474 3.966 20 0 DHADMM O=C(Nc1ccc(F)c2ccccc12)c1ncc(C(F)(F)F)[n-]1 ZINC001188289608 1037854912 /nfs/dbraw/zinc/85/49/12/1037854912.db2.gz YGVPKYRYNDHCJB-UHFFFAOYSA-N -1 1 323.249 3.973 20 0 DHADMM O=C(Nc1ccc(F)c2ccccc12)c1nc(C(F)(F)F)c[n-]1 ZINC001188289608 1037854935 /nfs/dbraw/zinc/85/49/35/1037854935.db2.gz YGVPKYRYNDHCJB-UHFFFAOYSA-N -1 1 323.249 3.973 20 0 DHADMM O=C(Nc1cc2ccccc2cc1O)c1ncc(C(F)(F)F)[n-]1 ZINC001188288241 1037855294 /nfs/dbraw/zinc/85/52/94/1037855294.db2.gz PHQGTKCJKBJGNN-UHFFFAOYSA-N -1 1 321.258 3.540 20 0 DHADMM O=C(Nc1cc2ccccc2cc1O)c1nc(C(F)(F)F)c[n-]1 ZINC001188288241 1037855315 /nfs/dbraw/zinc/85/53/15/1037855315.db2.gz PHQGTKCJKBJGNN-UHFFFAOYSA-N -1 1 321.258 3.540 20 0 DHADMM CC(C)(C)c1cccc(NC(=O)c2ncc(C(F)(F)F)[n-]2)c1 ZINC001188286926 1037866109 /nfs/dbraw/zinc/86/61/09/1037866109.db2.gz ASQFPUWVAYNWNY-UHFFFAOYSA-N -1 1 311.307 3.978 20 0 DHADMM CC(C)(C)c1cccc(NC(=O)c2nc(C(F)(F)F)c[n-]2)c1 ZINC001188286926 1037866130 /nfs/dbraw/zinc/86/61/30/1037866130.db2.gz ASQFPUWVAYNWNY-UHFFFAOYSA-N -1 1 311.307 3.978 20 0 DHADMM Cc1nc(CN(C)C(=O)c2cc3ccccc3cc2[O-])cs1 ZINC000124856997 1037913609 /nfs/dbraw/zinc/91/36/09/1037913609.db2.gz ZMFSELPVMBFMLO-UHFFFAOYSA-N -1 1 312.394 3.583 20 0 DHADMM O=C(Nc1cccc2c1COC2)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188589302 1037941369 /nfs/dbraw/zinc/94/13/69/1037941369.db2.gz QWTCRDWNWZXOOA-UHFFFAOYSA-N -1 1 323.270 3.694 20 0 DHADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc([C@@H](C)OC)c1 ZINC000187401382 1037966379 /nfs/dbraw/zinc/96/63/79/1037966379.db2.gz ITVDHSALZCONPF-CYBMUJFWSA-N -1 1 319.426 3.757 20 0 DHADMM CCOc1ccccc1[N-]S(=O)(=O)C[C@H](C)c1ccccc1 ZINC000494495530 1038123183 /nfs/dbraw/zinc/12/31/83/1038123183.db2.gz SCRBHJQBUNYKNA-AWEZNQCLSA-N -1 1 319.426 3.631 20 0 DHADMM O=C(c1ncc2ccccc2c1[O-])N1CCC2(C1)CCCCC2 ZINC000669219879 1038170153 /nfs/dbraw/zinc/17/01/53/1038170153.db2.gz OAKXGVDSJGRQIN-UHFFFAOYSA-N -1 1 310.397 3.737 20 0 DHADMM CN(C(=O)c1cc2ccccc2cc1[O-])c1ccc2c(c1)OCO2 ZINC000127863841 1038217174 /nfs/dbraw/zinc/21/71/74/1038217174.db2.gz QUYAYWVIQPJHGA-UHFFFAOYSA-N -1 1 321.332 3.551 20 0 DHADMM Cc1ccc([O-])c(C(=O)c2cnn(-c3cccc(Cl)c3)c2)c1 ZINC000588310037 1038297413 /nfs/dbraw/zinc/29/74/13/1038297413.db2.gz WOVCERJZVOWWCB-UHFFFAOYSA-N -1 1 312.756 3.771 20 0 DHADMM O=S(=O)([N-]c1cccc2ccncc21)c1ccc(C2CC2)cc1 ZINC001190500526 1038328729 /nfs/dbraw/zinc/32/87/29/1038328729.db2.gz QKMDXXNCCHZMGO-UHFFFAOYSA-N -1 1 324.405 3.913 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2cccc([C@H](C)OC)c2)cc1 ZINC000588834008 1038382588 /nfs/dbraw/zinc/38/25/88/1038382588.db2.gz YXQYCFPBDBEVJR-ZDUSSCGKSA-N -1 1 319.426 3.757 20 0 DHADMM COc1cc(C(=O)Nc2cnc(C3CC3)s2)cc(Cl)c1[O-] ZINC001191138269 1038456965 /nfs/dbraw/zinc/45/69/65/1038456965.db2.gz BWXHWBWGZKQXDA-UHFFFAOYSA-N -1 1 324.789 3.640 20 0 DHADMM CC(C)c1ccccc1NC(=O)NCC(=O)c1ccc([O-])cc1 ZINC001192282796 1038621747 /nfs/dbraw/zinc/62/17/47/1038621747.db2.gz UDQVXRGASGPCMU-UHFFFAOYSA-N -1 1 312.369 3.520 20 0 DHADMM CC(C)(C)c1ccc(C(=O)Nc2c[nH]c3cccnc23)c([O-])c1 ZINC001192313353 1038624272 /nfs/dbraw/zinc/62/42/72/1038624272.db2.gz BXWALLXRHUIKIT-UHFFFAOYSA-N -1 1 309.369 3.818 20 0 DHADMM CC(C)(C)c1nnc(NC(=O)c2ccc(C(C)(C)C)cc2[O-])o1 ZINC001192313368 1038624911 /nfs/dbraw/zinc/62/49/11/1038624911.db2.gz CLMGHDNFVYTRRB-UHFFFAOYSA-N -1 1 317.389 3.623 20 0 DHADMM COc1c(O)cccc1NC(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192335324 1038628130 /nfs/dbraw/zinc/62/81/30/1038628130.db2.gz GLDTYGLFLHDPIU-UHFFFAOYSA-N -1 1 315.369 3.656 20 0 DHADMM C[C@H]1C[C@H](NC(=O)c2c(F)ccc([O-])c2F)c2ccccc21 ZINC001192551028 1038673379 /nfs/dbraw/zinc/67/33/79/1038673379.db2.gz ALUHRYNAIKJTMD-ZANVPECISA-N -1 1 303.308 3.649 20 0 DHADMM O=C(NCc1cccc(C(F)F)c1)c1c(F)ccc([O-])c1F ZINC001192538735 1038678036 /nfs/dbraw/zinc/67/80/36/1038678036.db2.gz CJDIVOTUIGAANB-UHFFFAOYSA-N -1 1 313.250 3.538 20 0 DHADMM Cc1cc(Cl)c(NC(=O)c2c(F)ccc([O-])c2F)cc1O ZINC001192540182 1038678214 /nfs/dbraw/zinc/67/82/14/1038678214.db2.gz SCBKNYBIGRRHIV-UHFFFAOYSA-N -1 1 313.687 3.590 20 0 DHADMM CC[C@H](NC(=O)c1cc([O-])cc(F)c1F)c1ccccc1OC ZINC001192678621 1038690269 /nfs/dbraw/zinc/69/02/69/1038690269.db2.gz JBKNCKZGLCBLMR-AWEZNQCLSA-N -1 1 321.323 3.560 20 0 DHADMM O=C(Nc1ccc(F)c(C2CC2)c1)c1cc([O-])cc(F)c1F ZINC001192670457 1038690507 /nfs/dbraw/zinc/69/05/07/1038690507.db2.gz JRBPDALECQDGAL-UHFFFAOYSA-N -1 1 307.271 3.939 20 0 DHADMM O=C(N[C@@H](c1ccccc1F)C1CC1)c1cc([O-])cc(F)c1F ZINC001192679584 1038690522 /nfs/dbraw/zinc/69/05/22/1038690522.db2.gz XKNJTJGKILTBQR-MRXNPFEDSA-N -1 1 321.298 3.691 20 0 DHADMM Cc1ccc2cccnc2c1NC(=O)c1cc([O-])cc(F)c1F ZINC001192665581 1038693867 /nfs/dbraw/zinc/69/38/67/1038693867.db2.gz OKBDGHKRXZVIOD-UHFFFAOYSA-N -1 1 314.291 3.779 20 0 DHADMM Cc1nc(CNCc2ccc(C3CCC3)cc2)ccc1C(=O)[O-] ZINC000669470249 1039380245 /nfs/dbraw/zinc/38/02/45/1039380245.db2.gz JALMEDKJKCNAGF-UHFFFAOYSA-N -1 1 310.397 3.646 20 0 DHADMM COc1cc(C(=O)NC[C@@H]2CCCC2(C)C)cc(Cl)c1[O-] ZINC000574071512 1039383987 /nfs/dbraw/zinc/38/39/87/1039383987.db2.gz FSKQVHJUTUESNG-NSHDSACASA-N -1 1 311.809 3.610 20 0 DHADMM O=C([O-])c1ccc(CN2CCC[C@H]2c2ccsc2)c(F)c1 ZINC000574405652 1039635819 /nfs/dbraw/zinc/63/58/19/1039635819.db2.gz BSDCJEDWMOTCLN-HNNXBMFYSA-N -1 1 305.374 3.923 20 0 DHADMM C[C@@H](Oc1ccccc1Cl)C(=O)Nc1c([O-])cccc1F ZINC000605438432 1039682013 /nfs/dbraw/zinc/68/20/13/1039682013.db2.gz TWPDDIFQCVPNNN-SECBINFHSA-N -1 1 309.724 3.591 20 0 DHADMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1cccc(OC)c1 ZINC000606825493 1040015638 /nfs/dbraw/zinc/01/56/38/1040015638.db2.gz MTMIRMQRQONBQD-UHFFFAOYSA-N -1 1 319.426 3.621 20 0 DHADMM Cc1cc(O[C@H](C)C(=O)Nc2c([O-])cccc2F)ccc1Cl ZINC000608365238 1040471916 /nfs/dbraw/zinc/47/19/16/1040471916.db2.gz BLTYXKIZQQVXOW-SNVBAGLBSA-N -1 1 323.751 3.899 20 0 DHADMM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000456786342 1040918306 /nfs/dbraw/zinc/91/83/06/1040918306.db2.gz OMLQDVDQLMAGQL-RKDXNWHRSA-N -1 1 309.337 3.783 20 0 DHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2cc(C)cc(Cl)c2)o1 ZINC000417561399 334979208 /nfs/dbraw/zinc/97/92/08/334979208.db2.gz BGKJDQMKTRIOIZ-CQSZACIVSA-N -1 1 307.777 3.855 20 0 DHADMM O=S(=O)([N-]c1cc(Cl)ccc1Cl)c1ccccc1F ZINC000006315857 181329398 /nfs/dbraw/zinc/32/93/98/181329398.db2.gz DUVYCIFKMPIRGJ-UHFFFAOYSA-N -1 1 320.172 3.933 20 0 DHADMM COCc1cccc(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000320435127 335009300 /nfs/dbraw/zinc/00/93/00/335009300.db2.gz VMIAQOWWLGZUJL-UHFFFAOYSA-N -1 1 307.349 3.944 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCCCC[C@@H]1c1ccncc1 ZINC000093969757 193333172 /nfs/dbraw/zinc/33/31/72/193333172.db2.gz ONQPWNREKROLAF-MRXNPFEDSA-N -1 1 314.360 3.684 20 0 DHADMM COc1ccc(C(=O)Nc2nc3ccc(C)cc3s2)c([O-])c1 ZINC000022024291 182304460 /nfs/dbraw/zinc/30/44/60/182304460.db2.gz SFNPMFYWYUDPQI-UHFFFAOYSA-N -1 1 314.366 3.571 20 0 DHADMM CCC[C@@H](C)N(C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000563816777 335028540 /nfs/dbraw/zinc/02/85/40/335028540.db2.gz UGMCVFJUTJNZKA-GFCCVEGCSA-N -1 1 302.374 3.660 20 0 DHADMM c1coc(-c2cc(-c3nc([C@@H]4CCCCS4)no3)[nH]n2)c1 ZINC000273957147 130192276 /nfs/dbraw/zinc/19/22/76/130192276.db2.gz JHBZATYUZJLELZ-LBPRGKRZSA-N -1 1 302.359 3.678 20 0 DHADMM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1ncccc1[O-] ZINC000275092141 130291452 /nfs/dbraw/zinc/29/14/52/130291452.db2.gz CPFURHJSWVMDDD-JTQLQIEISA-N -1 1 324.302 3.639 20 0 DHADMM CC(C)C[C@H](C)CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000340752821 132178376 /nfs/dbraw/zinc/17/83/76/132178376.db2.gz JXBYBDOGFWIJSR-LBPRGKRZSA-N -1 1 301.390 3.793 20 0 DHADMM CCCc1cccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)c1 ZINC000417703610 335066386 /nfs/dbraw/zinc/06/63/86/335066386.db2.gz LOTWTDBJUPUYKW-UHFFFAOYSA-N -1 1 324.424 3.900 20 0 DHADMM O=C([O-])c1ccc(CNCc2cc(Cl)cs2)nc1C1CC1 ZINC000417710062 335067188 /nfs/dbraw/zinc/06/71/88/335067188.db2.gz UGDZKVIPHKYIPV-UHFFFAOYSA-N -1 1 322.817 3.662 20 0 DHADMM CSCCCC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182925456 337190689 /nfs/dbraw/zinc/19/06/89/337190689.db2.gz OMUHZFWDPMYOMF-UHFFFAOYSA-N -1 1 318.236 3.545 20 0 DHADMM CC(C)CCc1nnc([N-]C(=O)c2ccc(C(F)F)o2)s1 ZINC000628039981 435395647 /nfs/dbraw/zinc/39/56/47/435395647.db2.gz LYTBATMBYKJTNX-UHFFFAOYSA-N -1 1 315.345 3.910 20 0 DHADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1 ZINC000112333604 331710739 /nfs/dbraw/zinc/71/07/39/331710739.db2.gz BHZIRNZKHRZMIB-UHFFFAOYSA-N -1 1 315.316 3.815 20 0 DHADMM CCCOc1cccc(CN[C@@H](CC(=O)[O-])c2ccc(C)o2)c1 ZINC000426777188 332135673 /nfs/dbraw/zinc/13/56/73/332135673.db2.gz LGWXTXBYTYCCTA-INIZCTEOSA-N -1 1 317.385 3.682 20 0 DHADMM C[C@@H](CC(=O)c1ccco1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000092600901 332135895 /nfs/dbraw/zinc/13/58/95/332135895.db2.gz AIIVIZYDWKLJGA-LBPRGKRZSA-N -1 1 323.348 3.530 20 0 DHADMM CCc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)cc1 ZINC000426830003 332155963 /nfs/dbraw/zinc/15/59/63/332155963.db2.gz UJLWWLAKVVJJKH-KRWDZBQOSA-N -1 1 319.351 3.833 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000426991956 332164227 /nfs/dbraw/zinc/16/42/27/332164227.db2.gz SNDTZVZOORNIIR-KGLIPLIRSA-N -1 1 307.271 3.519 20 0 DHADMM Cc1cc(C(=O)Nc2ccc(F)cc2[O-])ccc1Br ZINC000533877551 332230128 /nfs/dbraw/zinc/23/01/28/332230128.db2.gz WZPXJPOEWKIIKH-UHFFFAOYSA-N -1 1 324.149 3.855 20 0 DHADMM CC1(C)Cc2cc(NC(=O)c3c(F)ccc([O-])c3F)ccc2O1 ZINC000569625420 332442121 /nfs/dbraw/zinc/44/21/21/332442121.db2.gz IBKWXFPMDCUBMD-UHFFFAOYSA-N -1 1 319.307 3.636 20 0 DHADMM CCOc1cc(C(=O)Nc2c(C)cccc2O)cc(Cl)c1[O-] ZINC000186984104 332954025 /nfs/dbraw/zinc/95/40/25/332954025.db2.gz WTTZTPFXRLSYDO-UHFFFAOYSA-N -1 1 321.760 3.711 20 0 DHADMM O=C(NCC1(Cc2ccccc2)CCC1)c1ccc([O-])cc1F ZINC000181260740 333029868 /nfs/dbraw/zinc/02/98/68/333029868.db2.gz WEIMUBRECBVXSM-UHFFFAOYSA-N -1 1 313.372 3.674 20 0 DHADMM Cc1ccc2oc(C(=O)Nc3ccc([O-])c(Cl)c3)cc2n1 ZINC000182870110 333047765 /nfs/dbraw/zinc/04/77/65/333047765.db2.gz NDIJRPSLPIVEEC-UHFFFAOYSA-N -1 1 302.717 3.748 20 0 DHADMM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000318971574 333235491 /nfs/dbraw/zinc/23/54/91/333235491.db2.gz DWGHESYFBZOUCD-LBPRGKRZSA-N -1 1 323.389 3.804 20 0 DHADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000112333457 333239773 /nfs/dbraw/zinc/23/97/73/333239773.db2.gz DMDOYKPIDNBCPU-UHFFFAOYSA-N -1 1 315.316 3.815 20 0 DHADMM CCSCc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)no1 ZINC000184820498 333368087 /nfs/dbraw/zinc/36/80/87/333368087.db2.gz AYEOBIKAZLZPPU-UHFFFAOYSA-N -1 1 312.778 3.539 20 0 DHADMM C[C@@]1(Cc2ccccc2)CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000186226144 333372376 /nfs/dbraw/zinc/37/23/76/333372376.db2.gz PBWLKABJFZHHGA-IBGZPJMESA-N -1 1 313.372 3.769 20 0 DHADMM Cc1ccc(SC[C@@H](C)NC(=O)c2ccc([O-])cc2F)cc1 ZINC000186701389 333376748 /nfs/dbraw/zinc/37/67/48/333376748.db2.gz LAQHRXTUWRKSSU-GFCCVEGCSA-N -1 1 319.401 3.750 20 0 DHADMM Cc1nc(C)c(CNC(=O)c2ccc3ccccc3c2[O-])s1 ZINC000319634026 333391910 /nfs/dbraw/zinc/39/19/10/333391910.db2.gz BQZRYOIPEUFJQX-UHFFFAOYSA-N -1 1 312.394 3.549 20 0 DHADMM CCc1ccc(C(=O)N(C)c2cccc(SC)c2)c([O-])c1 ZINC000190846863 335139267 /nfs/dbraw/zinc/13/92/67/335139267.db2.gz QMZMLVIHFFLPIM-UHFFFAOYSA-N -1 1 301.411 3.953 20 0 DHADMM C[C@H](CCc1cccc(F)c1)C(=O)Nc1ccc(F)cc1[O-] ZINC000531756423 333552452 /nfs/dbraw/zinc/55/24/52/333552452.db2.gz GVJSBKRWINHAAI-LLVKDONJSA-N -1 1 305.324 3.878 20 0 DHADMM O=C(CSc1ccccc1Cl)Nc1ccc(F)cc1[O-] ZINC000531756411 333552567 /nfs/dbraw/zinc/55/25/67/333552567.db2.gz FEAICUUUQBOREP-UHFFFAOYSA-N -1 1 311.765 3.916 20 0 DHADMM Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccc(F)cc1[O-] ZINC000531756035 333553857 /nfs/dbraw/zinc/55/38/57/333553857.db2.gz NLQVEOLFYSOGMB-UHFFFAOYSA-N -1 1 308.378 3.846 20 0 DHADMM [O-]c1ccc(-c2noc([C@H]3C[C@]34CCc3ccccc34)n2)cc1F ZINC000563342353 333591627 /nfs/dbraw/zinc/59/16/27/333591627.db2.gz AESGJUAESACUNV-KUHUBIRLSA-N -1 1 322.339 3.953 20 0 DHADMM CCOc1cc(C(=O)N[C@@H]2CCC[C@H](C)C2)cc(Cl)c1[O-] ZINC000186569011 335158586 /nfs/dbraw/zinc/15/85/86/335158586.db2.gz GGXXKOOGVZKCGA-CMPLNLGQSA-N -1 1 311.809 3.753 20 0 DHADMM CCOc1cc(C(=O)N2CC(C)(C)C[C@@H]2C)cc(Cl)c1[O-] ZINC000413972086 333882502 /nfs/dbraw/zinc/88/25/02/333882502.db2.gz JMAYIUTWCNKUGR-JTQLQIEISA-N -1 1 311.809 3.705 20 0 DHADMM O=C(Nc1ccc(Cl)c(OC(F)F)c1)c1ccccc1[O-] ZINC000436913844 334016855 /nfs/dbraw/zinc/01/68/55/334016855.db2.gz HHFXJMNLDPNWMK-UHFFFAOYSA-N -1 1 313.687 3.899 20 0 DHADMM O=C(CCCOc1ccccc1F)Nc1ccc([O-])c(Cl)c1 ZINC000111668271 334352972 /nfs/dbraw/zinc/35/29/72/334352972.db2.gz QQRUFCUAHTYURG-UHFFFAOYSA-N -1 1 323.751 3.982 20 0 DHADMM COc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)c([O-])c1 ZINC000111686816 334353673 /nfs/dbraw/zinc/35/36/73/334353673.db2.gz CGGQMQRNKAJOFZ-UHFFFAOYSA-N -1 1 302.717 3.771 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1cc(-c2cccc(F)c2)no1 ZINC000532012909 334373844 /nfs/dbraw/zinc/37/38/44/334373844.db2.gz OWZLWYVUSYGONJ-UHFFFAOYSA-N -1 1 316.263 3.578 20 0 DHADMM C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(F)cc1[O-] ZINC000532012990 334373879 /nfs/dbraw/zinc/37/38/79/334373879.db2.gz WPTBSMGOGCIVFN-VIFPVBQESA-N -1 1 309.724 3.591 20 0 DHADMM CCCOc1cccc([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000112334704 334382806 /nfs/dbraw/zinc/38/28/06/334382806.db2.gz VSCWAYWEOTWBJQ-UHFFFAOYSA-N -1 1 305.399 3.585 20 0 DHADMM CCOc1ccc([N-]S(=O)(=O)c2ccccc2SC)cc1 ZINC000188238067 334669821 /nfs/dbraw/zinc/66/98/21/334669821.db2.gz YZAUBQXIOZHDBR-UHFFFAOYSA-N -1 1 323.439 3.608 20 0 DHADMM CCSc1cccc(CNC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000343642856 335184373 /nfs/dbraw/zinc/18/43/73/335184373.db2.gz PVRHKQLSZHKLCX-UHFFFAOYSA-N -1 1 323.364 3.712 20 0 DHADMM CCOc1ccc(F)c([N-]C(=O)c2cc(C(C)C)on2)c1F ZINC000343650711 335185001 /nfs/dbraw/zinc/18/50/01/335185001.db2.gz BIVJYKAXRIRGMX-UHFFFAOYSA-N -1 1 310.300 3.727 20 0 DHADMM COc1cccc2c(C(=O)Nc3ccccc3SC)n[nH]c21 ZINC000345128090 335303740 /nfs/dbraw/zinc/30/37/40/335303740.db2.gz PHYMALMSKSCAHG-UHFFFAOYSA-N -1 1 313.382 3.546 20 0 DHADMM O=C(Nc1ccc2c(c1)OCCO2)c1ccc2ccccc2c1[O-] ZINC000323888433 335646070 /nfs/dbraw/zinc/64/60/70/335646070.db2.gz WEVPAGOXBSRISA-UHFFFAOYSA-N -1 1 321.332 3.569 20 0 DHADMM Cc1nc([N-]S(=O)(=O)c2ccsc2)c(Cl)cc1Cl ZINC000350145991 335730895 /nfs/dbraw/zinc/73/08/95/335730895.db2.gz ZPUUENPPBDRTSS-UHFFFAOYSA-N -1 1 323.226 3.559 20 0 DHADMM CCOc1cc(NC(=O)c2c(F)ccc([O-])c2F)ccc1C ZINC000520439923 335977831 /nfs/dbraw/zinc/97/78/31/335977831.db2.gz BBHWLNLCQKPSNS-UHFFFAOYSA-N -1 1 307.296 3.630 20 0 DHADMM O=C([N-]c1nc(Cc2ccccc2)ns1)c1ccoc1Cl ZINC000192307473 336028209 /nfs/dbraw/zinc/02/82/09/336028209.db2.gz WBWWMLAFRKVOHF-UHFFFAOYSA-N -1 1 319.773 3.628 20 0 DHADMM COc1ccc(CN(C)C(=O)c2cc(Cl)ccc2[O-])cc1C ZINC000103023220 336030638 /nfs/dbraw/zinc/03/06/38/336030638.db2.gz RAZYCXHEOXPSAY-UHFFFAOYSA-N -1 1 319.788 3.635 20 0 DHADMM CN(Cc1nc2ccccc2n1C)Cc1cccc([O-])c1Cl ZINC000351592663 336048146 /nfs/dbraw/zinc/04/81/46/336048146.db2.gz AALVCJXBANYYSB-UHFFFAOYSA-N -1 1 315.804 3.564 20 0 DHADMM C[C@H]1CCc2nc(NC(=O)c3c(F)ccc([O-])c3F)sc2C1 ZINC000332243192 336164651 /nfs/dbraw/zinc/16/46/51/336164651.db2.gz SCHUTAVTMWPYHX-ZETCQYMHSA-N -1 1 324.352 3.504 20 0 DHADMM CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000332336077 336168748 /nfs/dbraw/zinc/16/87/48/336168748.db2.gz QCHVPPPJDWXTRN-TZMCWYRMSA-N -1 1 321.808 3.759 20 0 DHADMM O=C(Nc1ccc(Cl)cc1[O-])c1ccn(C2CCCCC2)n1 ZINC000332712455 336179883 /nfs/dbraw/zinc/17/98/83/336179883.db2.gz YLVRFCVDFKSGFZ-UHFFFAOYSA-N -1 1 319.792 4.000 20 0 DHADMM O=S(=O)([N-]c1ccc(F)cc1F)c1cc(F)ccc1Cl ZINC000103057801 336237528 /nfs/dbraw/zinc/23/75/28/336237528.db2.gz CDFGDDZUBZMMLM-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM Cc1cc(OCC(=O)Nc2ccc(F)cc2[O-])ccc1Cl ZINC000532621062 336257170 /nfs/dbraw/zinc/25/71/70/336257170.db2.gz OFTYHPCHSMGMIC-UHFFFAOYSA-N -1 1 309.724 3.511 20 0 DHADMM Cc1nc(-c2ccc(N(C)C3CCCCC3)nc2)[n-]c(=O)c1C ZINC000301157401 336292379 /nfs/dbraw/zinc/29/23/79/336292379.db2.gz DJORBZBUQMQJRL-UHFFFAOYSA-N -1 1 312.417 3.630 20 0 DHADMM Cc1nc(-c2ccc(NCc3cccc(F)c3)nc2)[n-]c(=O)c1C ZINC000301387522 336303917 /nfs/dbraw/zinc/30/39/17/336303917.db2.gz XXGNNBWUHKWDKM-UHFFFAOYSA-N -1 1 324.359 3.612 20 0 DHADMM CC(=O)c1cc(NC(=O)c2cc([O-])ccc2Cl)ccc1F ZINC000354164559 336462028 /nfs/dbraw/zinc/46/20/28/336462028.db2.gz BKTFYHIZIWCVHJ-UHFFFAOYSA-N -1 1 307.708 3.640 20 0 DHADMM O=C(c1cncc([O-])c1)N1C[C@@H](c2ccccc2)c2ccccc21 ZINC000355333175 336504515 /nfs/dbraw/zinc/50/45/15/336504515.db2.gz JSRLJAOCNRIKLV-SFHVURJKSA-N -1 1 316.360 3.580 20 0 DHADMM O=C(c1c(F)ccc([O-])c1F)N1CCC(c2ccccc2)CC1 ZINC000358112546 336612047 /nfs/dbraw/zinc/61/20/47/336612047.db2.gz QLFCPCGOKJZWFR-UHFFFAOYSA-N -1 1 317.335 3.690 20 0 DHADMM CCOc1cc(C(=O)N2CC[C@@](C)(CC)C2)cc(Cl)c1[O-] ZINC000358113112 336612108 /nfs/dbraw/zinc/61/21/08/336612108.db2.gz XWVHXUHUCPIYED-MRXNPFEDSA-N -1 1 311.809 3.707 20 0 DHADMM Cc1cnc(C(=O)N(C)[C@@H](C)c2cccc(Cl)c2)c([O-])c1 ZINC000358635711 336637708 /nfs/dbraw/zinc/63/77/08/336637708.db2.gz SCKGDOYVGMJORP-NSHDSACASA-N -1 1 304.777 3.582 20 0 DHADMM Cc1cccc(CN(C)C(=O)c2c(F)ccc([O-])c2F)c1C ZINC000358748119 336641712 /nfs/dbraw/zinc/64/17/12/336641712.db2.gz VVWLFEFHNZGXNH-UHFFFAOYSA-N -1 1 305.324 3.559 20 0 DHADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C3CC3)c(C)c2)c1 ZINC000358904837 336646874 /nfs/dbraw/zinc/64/68/74/336646874.db2.gz OUQDTQGLQWIHJX-UHFFFAOYSA-N -1 1 324.380 3.789 20 0 DHADMM COc1cc(C(=O)N2CC3(CCC3)[C@H]2C(C)C)cc(Cl)c1[O-] ZINC000359184208 336662019 /nfs/dbraw/zinc/66/20/19/336662019.db2.gz VKHSUDZXYVFQQE-OAHLLOKOSA-N -1 1 323.820 3.705 20 0 DHADMM O=C(N[C@@H]1CC[C@@H](c2ccccc2)C1)c1c(F)ccc([O-])c1F ZINC000370743409 336892536 /nfs/dbraw/zinc/89/25/36/336892536.db2.gz WGRUIGKQNIELNA-CHWSQXEVSA-N -1 1 317.335 3.737 20 0 DHADMM [O-]c1ccc(-c2noc([C@@H]3C[C@@H]3c3cccnc3)n2)c(Cl)c1 ZINC000373157901 336950171 /nfs/dbraw/zinc/95/01/71/336950171.db2.gz IDNVYTDYHLZQIW-CHWSQXEVSA-N -1 1 313.744 3.762 20 0 DHADMM C[C@@H]1C[C@@H](c2ccsc2)CN1C(=O)c1c(F)ccc([O-])c1F ZINC000377670375 337058037 /nfs/dbraw/zinc/05/80/37/337058037.db2.gz JBZSOKHGMHCZOE-MWLCHTKSSA-N -1 1 323.364 3.750 20 0 DHADMM Cc1nc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2Cl)s1 ZINC000177833557 337160570 /nfs/dbraw/zinc/16/05/70/337160570.db2.gz SQKIGSJHRIVNOH-UHFFFAOYSA-N -1 1 316.835 3.523 20 0 DHADMM O=C([N-]c1nc(-c2cccs2)ns1)c1ccc(Cl)o1 ZINC000182149798 337186915 /nfs/dbraw/zinc/18/69/15/337186915.db2.gz XSPDJUTZKLNPKK-UHFFFAOYSA-N -1 1 311.775 3.765 20 0 DHADMM Cc1cc(C)c(C(=O)Nc2cc(C)cc(Br)c2[O-])[nH]1 ZINC000182924395 337190841 /nfs/dbraw/zinc/19/08/41/337190841.db2.gz JRHSWMQIAHLQFB-UHFFFAOYSA-N -1 1 323.190 3.660 20 0 DHADMM O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1coc(-c2ccccc2)n1 ZINC000321061591 337191066 /nfs/dbraw/zinc/19/10/66/337191066.db2.gz YNAAXSHQVMUIKO-MRXNPFEDSA-N -1 1 314.385 3.561 20 0 DHADMM C[C@@H](CC(=O)[O-])N(C)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000583036456 337232468 /nfs/dbraw/zinc/23/24/68/337232468.db2.gz SOFYTNXMCADEDW-JTQLQIEISA-N -1 1 324.833 3.759 20 0 DHADMM CCOc1cc(C(=O)NCc2cccc(F)c2)cc(Cl)c1[O-] ZINC000186567007 337257578 /nfs/dbraw/zinc/25/75/78/337257578.db2.gz VNQASKBNCPAXRD-UHFFFAOYSA-N -1 1 323.751 3.513 20 0 DHADMM CCOc1cc(C(=O)N2CCC3(CCCC3)C2)cc(Cl)c1[O-] ZINC000186839838 337260676 /nfs/dbraw/zinc/26/06/76/337260676.db2.gz BPAVKKQMNQPSIC-UHFFFAOYSA-N -1 1 323.820 3.851 20 0 DHADMM Cc1oc(NC(=O)Nc2ccc([O-])c(Cl)c2)nc1C1CC1 ZINC000583246894 337287178 /nfs/dbraw/zinc/28/71/78/337287178.db2.gz VVMWHLZGRYXFGV-UHFFFAOYSA-N -1 1 307.737 3.863 20 0 DHADMM COc1ccc(-c2nc([C@H]3CCc4ccccc43)no2)c([O-])c1 ZINC000321933097 337305746 /nfs/dbraw/zinc/30/57/46/337305746.db2.gz TUUROISGCWPLPE-AWEZNQCLSA-N -1 1 308.337 3.529 20 0 DHADMM C[C@@H](Oc1cccc(F)c1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445476035 337495825 /nfs/dbraw/zinc/49/58/25/337495825.db2.gz XVBWOWNRVKNOFF-SECBINFHSA-N -1 1 318.279 3.860 20 0 DHADMM CCOc1cc(-c2noc(CCC3CC3)n2)cc(Cl)c1[O-] ZINC000445431379 337743288 /nfs/dbraw/zinc/74/32/88/337743288.db2.gz NSSMCCLKEVBGNW-UHFFFAOYSA-N -1 1 308.765 3.837 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)cc1C ZINC000527489711 337745685 /nfs/dbraw/zinc/74/56/85/337745685.db2.gz MMQJSOZFDHVSLO-UHFFFAOYSA-N -1 1 314.410 3.596 20 0 DHADMM CCCCc1nc(CSc2nc(C)c(C)c(=O)[n-]2)cs1 ZINC000537415183 337934154 /nfs/dbraw/zinc/93/41/54/337934154.db2.gz KRZCZZGHYKIVOV-UHFFFAOYSA-N -1 1 309.460 3.890 20 0 DHADMM CCc1ncsc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445449561 337945505 /nfs/dbraw/zinc/94/55/05/337945505.db2.gz VNTAGBKRMPWVEG-UHFFFAOYSA-N -1 1 307.762 3.782 20 0 DHADMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000514811976 337971006 /nfs/dbraw/zinc/97/10/06/337971006.db2.gz JHYGSOIQHAORJL-UHFFFAOYSA-N -1 1 311.353 3.987 20 0 DHADMM CC(C)(CNC(=O)c1ccc(Cl)cc1[O-])c1cccs1 ZINC000083599937 337996642 /nfs/dbraw/zinc/99/66/42/337996642.db2.gz ZOLSDOBYVNHINW-UHFFFAOYSA-N -1 1 309.818 3.815 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H]1c1ccsc1 ZINC000516301471 338010090 /nfs/dbraw/zinc/01/00/90/338010090.db2.gz SBZKQBBLYHYIFX-ZDUSSCGKSA-N -1 1 305.399 3.939 20 0 DHADMM COc1ccc(-c2nc(-c3c[nH]c4ccccc43)no2)c([O-])c1 ZINC000445451974 338016586 /nfs/dbraw/zinc/01/65/86/338016586.db2.gz NDEJDBSOIVTDID-UHFFFAOYSA-N -1 1 307.309 3.599 20 0 DHADMM CCSc1cc(-c2nc(-c3ccc([O-])cc3F)no2)ccn1 ZINC000445453284 338016924 /nfs/dbraw/zinc/01/69/24/338016924.db2.gz HMFCRAPVHFUYJG-UHFFFAOYSA-N -1 1 317.345 3.755 20 0 DHADMM COc1ccc(/C=C/c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445455828 338017386 /nfs/dbraw/zinc/01/73/86/338017386.db2.gz QUQWZXCIAFAYCJ-RUDMXATFSA-N -1 1 312.300 3.760 20 0 DHADMM [O-]c1ccc(-c2noc(CCc3ccc(F)cc3F)n2)c(F)c1 ZINC000445457036 338017558 /nfs/dbraw/zinc/01/75/58/338017558.db2.gz QPGDQVXMKOPQRU-UHFFFAOYSA-N -1 1 320.270 3.645 20 0 DHADMM Cc1ccc(F)c(OCc2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445457589 338017710 /nfs/dbraw/zinc/01/77/10/338017710.db2.gz TVJKWYREKLXOBO-UHFFFAOYSA-N -1 1 318.279 3.608 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3cc(F)c(F)cc3F)n2)c(F)c1 ZINC000445457904 338017852 /nfs/dbraw/zinc/01/78/52/338017852.db2.gz UXDTVAUNURVKFT-UHFFFAOYSA-N -1 1 324.233 3.589 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cccc4cccnc43)n2)c(F)c1 ZINC000445458431 338018031 /nfs/dbraw/zinc/01/80/31/338018031.db2.gz XGRHRZYVTPSMFQ-UHFFFAOYSA-N -1 1 307.284 3.797 20 0 DHADMM CCO[C@H](Cc1nc(-c2ccc([O-])cc2F)no1)C1=CCCC1 ZINC000445459471 338018515 /nfs/dbraw/zinc/01/85/15/338018515.db2.gz BLKVYKABLTUXSE-OAHLLOKOSA-N -1 1 318.348 3.639 20 0 DHADMM [O-]c1ccc(-c2noc(CCc3ccc4[nH]ccc4c3)n2)c(F)c1 ZINC000445459812 338018685 /nfs/dbraw/zinc/01/86/85/338018685.db2.gz HVQKDKDZKXEAQQ-UHFFFAOYSA-N -1 1 323.327 3.848 20 0 DHADMM C[C@@H]1CC2(CCC2)CN1C(=O)c1ccc(Br)c([O-])c1 ZINC000432627897 338161321 /nfs/dbraw/zinc/16/13/21/338161321.db2.gz XFZXJCILMDFQSN-SNVBAGLBSA-N -1 1 324.218 3.559 20 0 DHADMM CCOC(=O)c1cnc(C(C)=Cc2ccsc2Cl)[n-]c1=O ZINC000432704426 338163594 /nfs/dbraw/zinc/16/35/94/338163594.db2.gz GTSWOHLREXHNCJ-VURMDHGXSA-N -1 1 324.789 3.634 20 0 DHADMM COc1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)ccc1F ZINC000436181555 338260855 /nfs/dbraw/zinc/26/08/55/338260855.db2.gz YSJNSDLUZZEXGY-UHFFFAOYSA-N -1 1 323.389 3.759 20 0 DHADMM CC[C@H](NC(=O)c1c([O-])cccc1F)c1cc(F)ccc1F ZINC000436496424 338274366 /nfs/dbraw/zinc/27/43/66/338274366.db2.gz ZHGIIRVDYMQUPW-ZDUSSCGKSA-N -1 1 309.287 3.691 20 0 DHADMM Cc1ccccc1[C@]1(F)CCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000436509873 338274700 /nfs/dbraw/zinc/27/47/00/338274700.db2.gz GFCIUBHWVAXLFQ-SFHVURJKSA-N -1 1 317.335 3.551 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCCC[C@H]1C(F)F ZINC000436519167 338274807 /nfs/dbraw/zinc/27/48/07/338274807.db2.gz VVJULYRGVRSRSG-AWEZNQCLSA-N -1 1 305.324 3.805 20 0 DHADMM C[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])c2ccccc2O1 ZINC000436541470 338276169 /nfs/dbraw/zinc/27/61/69/338276169.db2.gz XPKGCJJPPQYRIV-CYBMUJFWSA-N -1 1 319.360 3.973 20 0 DHADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1nc(C(C)(C)C)cs1 ZINC000436554972 338276795 /nfs/dbraw/zinc/27/67/95/338276795.db2.gz HADUUWPCJWQHFW-VIFPVBQESA-N -1 1 322.405 3.776 20 0 DHADMM O=C(Nc1cccc(-c2nccs2)c1)c1cc(F)ccc1[O-] ZINC000436566821 338277448 /nfs/dbraw/zinc/27/74/48/338277448.db2.gz VRVOIVVWVDZNOX-UHFFFAOYSA-N -1 1 314.341 3.907 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000436585317 338278567 /nfs/dbraw/zinc/27/85/67/338278567.db2.gz LOLAFJVQYOSDQD-GFCCVEGCSA-N -1 1 319.763 3.814 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1CCc2c(F)cc(F)cc2C1 ZINC000436596334 338279150 /nfs/dbraw/zinc/27/91/50/338279150.db2.gz LSQQUBYXVIILCF-UHFFFAOYSA-N -1 1 323.726 3.522 20 0 DHADMM CC(C)c1csc(CNC(=O)c2ccc(Cl)cc2[O-])n1 ZINC000436597577 338279351 /nfs/dbraw/zinc/27/93/51/338279351.db2.gz QKPUGTWUFTVJGN-UHFFFAOYSA-N -1 1 310.806 3.556 20 0 DHADMM Cc1ccc2c(c1)CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C2 ZINC000436607765 338279770 /nfs/dbraw/zinc/27/97/70/338279770.db2.gz SKZHENQYXAZWMT-UHFFFAOYSA-N -1 1 321.298 3.875 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCc2cc(F)ccc21 ZINC000436622764 338280367 /nfs/dbraw/zinc/28/03/67/338280367.db2.gz FHRUSEICZSPEJN-UHFFFAOYSA-N -1 1 307.324 3.887 20 0 DHADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1ccc2ncsc2c1 ZINC000436678958 338282484 /nfs/dbraw/zinc/28/24/84/338282484.db2.gz DRLMLLLZBHOEPM-SECBINFHSA-N -1 1 316.357 3.632 20 0 DHADMM [O-]c1ccc(-c2noc([C@H]3C[C@H]3c3ccc(F)cc3)n2)c(F)c1 ZINC000436683390 338282668 /nfs/dbraw/zinc/28/26/68/338282668.db2.gz UDJGOTBXJWNXPN-KBPBESRZSA-N -1 1 314.291 3.992 20 0 DHADMM C[C@@H](Oc1ccccc1)c1noc(-c2ccc([O-])cc2F)n1 ZINC000436685767 338282784 /nfs/dbraw/zinc/28/27/84/338282784.db2.gz CHOLBAMJZNFGPH-SNVBAGLBSA-N -1 1 300.289 3.721 20 0 DHADMM C[C@H](NC(=O)c1cc2ccccc2cc1[O-])c1ccncc1F ZINC000436692928 338283164 /nfs/dbraw/zinc/28/31/64/338283164.db2.gz YYSFHLHJZSPTFJ-NSHDSACASA-N -1 1 310.328 3.571 20 0 DHADMM CC(C)Sc1ccccc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436700889 338283292 /nfs/dbraw/zinc/28/32/92/338283292.db2.gz AZRDTBHJJPAQSY-UHFFFAOYSA-N -1 1 315.394 3.714 20 0 DHADMM C[C@H]1CCCN(C(=O)C(=O)c2ccc([O-])cc2)c2ccccc21 ZINC000436702439 338283298 /nfs/dbraw/zinc/28/32/98/338283298.db2.gz ALALEOYFIIVITJ-ZDUSSCGKSA-N -1 1 309.365 3.505 20 0 DHADMM O=C(NC1(c2nccs2)CCCC1)c1ccc(Cl)cc1[O-] ZINC000436716778 338283819 /nfs/dbraw/zinc/28/38/19/338283819.db2.gz CLHLSLROLFFNDJ-UHFFFAOYSA-N -1 1 322.817 3.701 20 0 DHADMM CC[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1nc(C)cs1 ZINC000436719568 338284062 /nfs/dbraw/zinc/28/40/62/338284062.db2.gz OYLYPSUUASRWKA-NSHDSACASA-N -1 1 310.806 3.692 20 0 DHADMM CCSCC[C@H](C)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000436728146 338284401 /nfs/dbraw/zinc/28/44/01/338284401.db2.gz IIRCWLLMGQSJMI-JTQLQIEISA-N -1 1 301.839 3.649 20 0 DHADMM O=C(Nc1ccc(-c2ccco2)cc1F)c1ccc(O)cc1[O-] ZINC000436727887 338284555 /nfs/dbraw/zinc/28/45/55/338284555.db2.gz DVJZUXVSPMLREO-UHFFFAOYSA-N -1 1 313.284 3.749 20 0 DHADMM C[C@@H](CN(C)C(=O)c1ccc(Cl)cc1[O-])c1ccccc1 ZINC000436736917 338284883 /nfs/dbraw/zinc/28/48/83/338284883.db2.gz HWEHSZIVLABYPD-LBPRGKRZSA-N -1 1 303.789 3.921 20 0 DHADMM CC[C@@]1(C)CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000436751577 338285303 /nfs/dbraw/zinc/28/53/03/338285303.db2.gz MOZNAVZFMIUOES-AWEZNQCLSA-N -1 1 301.308 3.673 20 0 DHADMM O=C(Nc1ccc2c(c1)COC2)c1ccc(C(F)(F)F)cc1[O-] ZINC000436768981 338286633 /nfs/dbraw/zinc/28/66/33/338286633.db2.gz MFEYINBLYRSCEG-UHFFFAOYSA-N -1 1 323.270 3.694 20 0 DHADMM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc([O-])cc1F ZINC000436793721 338287558 /nfs/dbraw/zinc/28/75/58/338287558.db2.gz SLKVRWHBCVGDKC-PBFPGSCMSA-N -1 1 313.372 3.938 20 0 DHADMM CCc1c(NC(=O)c2cc(F)ccc2[O-])cnn1CCC(C)C ZINC000436819057 338288480 /nfs/dbraw/zinc/28/84/80/338288480.db2.gz MKVSZMPGCLLTKK-UHFFFAOYSA-N -1 1 319.380 3.589 20 0 DHADMM O=C(N[C@@H](C1CC1)C(F)(F)F)c1cc2ccccc2cc1[O-] ZINC000436841846 338289501 /nfs/dbraw/zinc/28/95/01/338289501.db2.gz BHXKMPRTDJTQRN-AWEZNQCLSA-N -1 1 309.287 3.616 20 0 DHADMM CC(C)n1cnc(-c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000436874701 338291113 /nfs/dbraw/zinc/29/11/13/338291113.db2.gz UZSHHRLFUUXTBP-UHFFFAOYSA-N -1 1 304.737 3.540 20 0 DHADMM CCc1nc(-c2nc(-c3ccc([O-])cc3Cl)no2)c(C)o1 ZINC000436875124 338291138 /nfs/dbraw/zinc/29/11/38/338291138.db2.gz WJDAPXWLHINWGB-UHFFFAOYSA-N -1 1 305.721 3.621 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3cnc4ccccc4c3)n2)cc1F ZINC000436879383 338291375 /nfs/dbraw/zinc/29/13/75/338291375.db2.gz MWYRHBRDJBDKLC-UHFFFAOYSA-N -1 1 321.311 3.720 20 0 DHADMM CN(Cc1cc(Cl)ccc1F)C(=O)c1ccc([O-])cc1F ZINC000436902577 338292749 /nfs/dbraw/zinc/29/27/49/338292749.db2.gz QKXNYFPGSMGKOR-UHFFFAOYSA-N -1 1 311.715 3.596 20 0 DHADMM CCSCc1cc(C(=O)Nc2ccc(Cl)cc2[O-])no1 ZINC000436903588 338292803 /nfs/dbraw/zinc/29/28/03/338292803.db2.gz NGRYYWPGELNDJT-UHFFFAOYSA-N -1 1 312.778 3.539 20 0 DHADMM Cc1ccc(Cc2noc(-c3ccc4ccccc4c3[O-])n2)cn1 ZINC000436911909 338293054 /nfs/dbraw/zinc/29/30/54/338293054.db2.gz SACAZUJLJPKKKW-UHFFFAOYSA-N -1 1 317.348 3.890 20 0 DHADMM COc1ccc(-c2nc(-c3ccc4cc[nH]c4c3)no2)c([O-])c1 ZINC000436914507 338293254 /nfs/dbraw/zinc/29/32/54/338293254.db2.gz ZGCGEBSCHKKTRU-UHFFFAOYSA-N -1 1 307.309 3.599 20 0 DHADMM CCN(CC1CCC1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436918376 338293409 /nfs/dbraw/zinc/29/34/09/338293409.db2.gz GJNLWGUTXDUSDM-UHFFFAOYSA-N -1 1 301.308 3.673 20 0 DHADMM COc1ccc(C(=O)N2CCC[C@H](C)c3ccccc32)c([O-])c1 ZINC000436942073 338294999 /nfs/dbraw/zinc/29/49/99/338294999.db2.gz UCLFCXLGXOIJMX-ZDUSSCGKSA-N -1 1 311.381 3.945 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3cccc(Cl)c3F)n2)cc1F ZINC000436957102 338295948 /nfs/dbraw/zinc/29/59/48/338295948.db2.gz VSUSSAYMUPEUGD-UHFFFAOYSA-N -1 1 322.698 3.965 20 0 DHADMM CC(C)N(C(=O)c1cc(Br)ccc1[O-])C1CCC1 ZINC000436963910 338296109 /nfs/dbraw/zinc/29/61/09/338296109.db2.gz FDDQCBMNVTVHPJ-UHFFFAOYSA-N -1 1 312.207 3.558 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000436977592 338296391 /nfs/dbraw/zinc/29/63/91/338296391.db2.gz FVAVAFSYFKWOME-KRWDZBQOSA-N -1 1 311.356 3.899 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CC2(CCC2)[C@H]1c1ccccc1 ZINC000436983037 338296657 /nfs/dbraw/zinc/29/66/57/338296657.db2.gz ZJYAPXKKWCNIAH-QGZVFWFLSA-N -1 1 311.356 3.899 20 0 DHADMM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1ccc([O-])cc1F ZINC000437364479 338307919 /nfs/dbraw/zinc/30/79/19/338307919.db2.gz MJDLHKQVMXZNQT-XHDPSFHLSA-N -1 1 323.726 3.610 20 0 DHADMM CC(C)COc1ncccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000440954125 338400295 /nfs/dbraw/zinc/40/02/95/338400295.db2.gz WQQMZXLDNBKTPR-UHFFFAOYSA-N -1 1 320.776 3.728 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1ccncc1Oc1ccccc1 ZINC000442575296 338425278 /nfs/dbraw/zinc/42/52/78/338425278.db2.gz ZZXXDPJYMIIIPG-UHFFFAOYSA-N -1 1 324.311 3.971 20 0 DHADMM Cc1c(F)cccc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000467080545 339225535 /nfs/dbraw/zinc/22/55/35/339225535.db2.gz VARRRYNCPXOFKN-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM COc1cccc([N-]S(=O)(=O)c2ccccc2C(C)C)c1 ZINC000468546136 339265879 /nfs/dbraw/zinc/26/58/79/339265879.db2.gz BIYMWAIDDLMLKK-UHFFFAOYSA-N -1 1 305.399 3.619 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccn(C2CCCCC2)n1 ZINC000472398781 339371430 /nfs/dbraw/zinc/37/14/30/339371430.db2.gz TVKRGXAUGAZMID-UHFFFAOYSA-N -1 1 319.792 4.000 20 0 DHADMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc2ncsc2c1 ZINC000479519273 339538974 /nfs/dbraw/zinc/53/89/74/339538974.db2.gz VIYUIPPMBXANTN-UHFFFAOYSA-N -1 1 324.814 3.751 20 0 DHADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000479520264 339539105 /nfs/dbraw/zinc/53/91/05/339539105.db2.gz WVVMBBPTHJIAPO-UHFFFAOYSA-N -1 1 322.386 3.545 20 0 DHADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ncccc1Cl ZINC000481947473 339617732 /nfs/dbraw/zinc/61/77/32/339617732.db2.gz YUALUXNWTCAMDJ-UHFFFAOYSA-N -1 1 324.833 3.833 20 0 DHADMM CCOc1ccccc1[N-]S(=O)(=O)C[C@@H](C)c1ccccc1 ZINC000494495532 339951511 /nfs/dbraw/zinc/95/15/11/339951511.db2.gz SCRBHJQBUNYKNA-CQSZACIVSA-N -1 1 319.426 3.631 20 0 DHADMM CC(C)C[C@@H](C)CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000499933297 340047160 /nfs/dbraw/zinc/04/71/60/340047160.db2.gz CKOWKHAXGNSAIY-GFCCVEGCSA-N -1 1 310.463 3.838 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1C(F)(F)F ZINC000500309764 340054537 /nfs/dbraw/zinc/05/45/37/340054537.db2.gz CSKZLAFBUNUOCN-UHFFFAOYSA-N -1 1 315.316 3.815 20 0 DHADMM Oc1cccc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c1Cl ZINC000507984349 340236872 /nfs/dbraw/zinc/23/68/72/340236872.db2.gz FGMQRHOBNBBIHR-OAHLLOKOSA-N -1 1 302.805 3.732 20 0 DHADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(SC)c2)cc1 ZINC000509098220 340261309 /nfs/dbraw/zinc/26/13/09/340261309.db2.gz JYGGHJSPVWTLPN-UHFFFAOYSA-N -1 1 323.439 3.608 20 0 DHADMM CCOc1cccc([N-]S(=O)(=O)c2cccc(SC)c2)c1 ZINC000509104727 340261487 /nfs/dbraw/zinc/26/14/87/340261487.db2.gz XZBZEOVLUDLMKJ-UHFFFAOYSA-N -1 1 323.439 3.608 20 0 DHADMM [O-]c1ccc(F)c(C[NH2+]C[C@@H]2CCCc3ccccc32)c1F ZINC000509768316 340278678 /nfs/dbraw/zinc/27/86/78/340278678.db2.gz WEWAXQKSFQKCFU-ZDUSSCGKSA-N -1 1 303.352 3.880 20 0 DHADMM O=C(Nc1nc(-c2ccco2)n[nH]1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000510841048 340312692 /nfs/dbraw/zinc/31/26/92/340312692.db2.gz IEGFUCQTHFRSSH-FRRDWIJNSA-N -1 1 314.389 3.610 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1C[C@]12CCc1ccccc12 ZINC000173380030 340363835 /nfs/dbraw/zinc/36/38/35/340363835.db2.gz JATTTWGFLQVDEK-KSSFIOAISA-N -1 1 313.784 3.888 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)Cc2ccccc2)c1 ZINC000182915826 340485864 /nfs/dbraw/zinc/48/58/64/340485864.db2.gz NWGOMLBNDNLXTA-UHFFFAOYSA-N -1 1 320.186 3.644 20 0 DHADMM Cc1cccnc1CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000185049015 340497655 /nfs/dbraw/zinc/49/76/55/340497655.db2.gz BJIAZTUPKIBDIQ-UHFFFAOYSA-N -1 1 323.421 3.741 20 0 DHADMM O=C(Nc1ccc2c(c1)CCO2)Nc1ccc([O-])c(Cl)c1 ZINC000192193977 340564306 /nfs/dbraw/zinc/56/43/06/340564306.db2.gz VGVAFGSSDWJMAQ-UHFFFAOYSA-N -1 1 304.733 3.625 20 0 DHADMM C[C@@H]1CCCCCN1C(=O)c1cc(Br)ccc1[O-] ZINC000226954338 340593463 /nfs/dbraw/zinc/59/34/63/340593463.db2.gz AFIKKPPWFFLMFJ-SNVBAGLBSA-N -1 1 312.207 3.559 20 0 DHADMM COc1cc(C(=O)NCC[C@@H]2CC=CCC2)cc(Cl)c1[O-] ZINC000529869574 340772634 /nfs/dbraw/zinc/77/26/34/340772634.db2.gz IHPVZWMEZDVAEJ-LLVKDONJSA-N -1 1 309.793 3.530 20 0 DHADMM CCN1C(=O)c2ccccc2N[C@H]1c1ccc([O-])c(Cl)c1 ZINC000065888047 340835918 /nfs/dbraw/zinc/83/59/18/340835918.db2.gz SHBHNCYQYXCNRK-OAHLLOKOSA-N -1 1 302.761 3.632 20 0 DHADMM Cc1cccc([C@@H](C)NC(=O)c2c(F)ccc([O-])c2F)c1C ZINC000539426148 340885073 /nfs/dbraw/zinc/88/50/73/340885073.db2.gz KEMGKVUVBJKNGH-LLVKDONJSA-N -1 1 305.324 3.778 20 0 DHADMM Cc1ccc([C@@H]2CCN(C(=O)c3cc(Cl)ccc3[O-])C2)cc1 ZINC000542456977 341008120 /nfs/dbraw/zinc/00/81/20/341008120.db2.gz ZFADOJFBKDHPRS-CQSZACIVSA-N -1 1 315.800 3.984 20 0 DHADMM O=C(NCc1cccc(-c2ccccn2)c1)c1c([O-])cccc1F ZINC000130497682 341023098 /nfs/dbraw/zinc/02/30/98/341023098.db2.gz KXSAUJSWVQRFSN-UHFFFAOYSA-N -1 1 322.339 3.523 20 0 DHADMM Cc1c(NC(=O)c2ccc(O)cc2[O-])cccc1C(F)(F)F ZINC000132101564 341116500 /nfs/dbraw/zinc/11/65/00/341116500.db2.gz DMFKVGGVXPNFER-UHFFFAOYSA-N -1 1 311.259 3.677 20 0 DHADMM CCOc1cc(C(=O)N2C[C@@H](C)C[C@H]2CC)cc(Cl)c1[O-] ZINC000546558129 341173018 /nfs/dbraw/zinc/17/30/18/341173018.db2.gz JOOHRQQKENSOTM-CMPLNLGQSA-N -1 1 311.809 3.705 20 0 DHADMM Cc1[nH]c2ccc(-c3nc4ccc(C)cc4c(=O)[n-]3)cc2c1C ZINC000077491762 341225655 /nfs/dbraw/zinc/22/56/55/341225655.db2.gz GLVFZMJTPHDTHN-UHFFFAOYSA-N -1 1 303.365 3.997 20 0 DHADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000135388302 341238353 /nfs/dbraw/zinc/23/83/53/341238353.db2.gz JQFWIOXGWAGYHO-UHFFFAOYSA-N -1 1 323.801 3.734 20 0 DHADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(CC)cc2)c1 ZINC000135392635 341238486 /nfs/dbraw/zinc/23/84/86/341238486.db2.gz JYOFQYVELYBUQK-UHFFFAOYSA-N -1 1 317.410 3.643 20 0 DHADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000135390847 341238567 /nfs/dbraw/zinc/23/85/67/341238567.db2.gz OTIHMIWVQYLFKR-UHFFFAOYSA-N -1 1 321.373 3.528 20 0 DHADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000135394450 341238581 /nfs/dbraw/zinc/23/85/81/341238581.db2.gz QLYYDNPPGUDRIR-UHFFFAOYSA-N -1 1 317.410 3.697 20 0 DHADMM COc1ccc(C(=O)Nc2ccc3nc(C4CC4)oc3c2)c([O-])c1 ZINC000079726779 341264637 /nfs/dbraw/zinc/26/46/37/341264637.db2.gz VHJGCNWDTRKGCB-UHFFFAOYSA-N -1 1 324.336 3.672 20 0 DHADMM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2ccc([O-])cc2F)C1 ZINC000154910629 341597797 /nfs/dbraw/zinc/59/77/97/341597797.db2.gz DLFRJNPTYKVHFJ-UONOGXRCSA-N -1 1 313.372 3.858 20 0 DHADMM C[C@@H]1C[C@H]1CC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000567474782 341609038 /nfs/dbraw/zinc/60/90/38/341609038.db2.gz RGETWKNAAPNAIY-RQJHMYQMSA-N -1 1 318.598 3.793 20 0 DHADMM CCc1nc(SCCc2cccc(F)c2F)[n-]c(=O)c1C ZINC000567522364 341612196 /nfs/dbraw/zinc/61/21/96/341612196.db2.gz NLIWSEAMKDWLSQ-UHFFFAOYSA-N -1 1 310.369 3.666 20 0 DHADMM COc1cc(C)c(NCc2cccc([O-])c2Cl)cc1OC ZINC000293447224 341709503 /nfs/dbraw/zinc/70/95/03/341709503.db2.gz CHTBHTBDWYUEPC-UHFFFAOYSA-N -1 1 307.777 3.983 20 0 DHADMM CC(C)c1cc(C(=O)[N-]c2nnc(-c3ccsc3)s2)no1 ZINC000154595504 519832845 /nfs/dbraw/zinc/83/28/45/519832845.db2.gz PMGYBDQYJVVDHX-UHFFFAOYSA-N -1 1 320.399 3.630 20 0 DHADMM CCc1noc(C)c1[N-]C(=O)c1cc(-c2ccccc2)ns1 ZINC000339084691 522875910 /nfs/dbraw/zinc/87/59/10/522875910.db2.gz MPWMYRONHCUNSP-UHFFFAOYSA-N -1 1 313.382 3.921 20 0 DHADMM Cc1ccc([C@@H](NC(=O)c2cncc([O-])c2)c2ccccc2)cc1 ZINC000339884479 525771812 /nfs/dbraw/zinc/77/18/12/525771812.db2.gz QKPDIMPKLZGOQM-IBGZPJMESA-N -1 1 318.376 3.615 20 0 DHADMM CS[C@H](C)CC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182912325 525868430 /nfs/dbraw/zinc/86/84/30/525868430.db2.gz QSBQSSHBVNKKKM-MRVPVSSYSA-N -1 1 318.236 3.543 20 0 DHADMM C[C@@H](c1ccccn1)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180455158 526111378 /nfs/dbraw/zinc/11/13/78/526111378.db2.gz ALJPYBPGQCNZGG-JTQLQIEISA-N -1 1 324.302 3.639 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H]1c1nccs1 ZINC000364256012 526639944 /nfs/dbraw/zinc/63/99/44/526639944.db2.gz STNLMUAVKRWDHS-OAHLLOKOSA-N -1 1 324.405 3.979 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CCC(c2ccsc2)CC1 ZINC000188716885 526703871 /nfs/dbraw/zinc/70/38/71/526703871.db2.gz NNBJVGVPPNROOP-UHFFFAOYSA-N -1 1 305.374 3.613 20 0 DHADMM C[C@H]1CCCCN1Cc1cc(C(=O)[O-])ccc1Br ZINC000675074037 563910906 /nfs/dbraw/zinc/91/09/06/563910906.db2.gz WQDUYICKNNBOHQ-JTQLQIEISA-N -1 1 312.207 3.522 20 0 DHADMM O=C([O-])[C@H](NCc1cccc(Cl)c1)c1cc(F)ccc1F ZINC000683172452 599788146 /nfs/dbraw/zinc/78/81/46/599788146.db2.gz ATDJKYLSAGNADP-CQSZACIVSA-N -1 1 311.715 3.534 20 0 DHADMM Cc1nc([C@H](C)N(C)CCC(=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000576360326 597154730 /nfs/dbraw/zinc/15/47/30/597154730.db2.gz LEULQKFCMAQCPP-NSHDSACASA-N -1 1 322.792 3.771 20 0 DHADMM Cc1c(Cl)cccc1NCc1ccc(-c2nn[n-]n2)s1 ZINC000822034440 607311027 /nfs/dbraw/zinc/31/10/27/607311027.db2.gz CWAXMCKWEXMULT-UHFFFAOYSA-N -1 1 305.794 3.502 20 0 DHADMM C[C@H](NCc1cccc(C(=O)[O-])c1)c1nc2ccccc2s1 ZINC000820148129 598192116 /nfs/dbraw/zinc/19/21/16/598192116.db2.gz LDYXTGVWLUBPRO-NSHDSACASA-N -1 1 312.394 3.845 20 0 DHADMM O=C([O-])c1coc(CSc2nc3ccc(Cl)cc3[nH]2)c1 ZINC000740268686 599802373 /nfs/dbraw/zinc/80/23/73/599802373.db2.gz DKHNXKIVFGCYRG-UHFFFAOYSA-N -1 1 308.746 3.800 20 0 DHADMM CN(Cc1ccc(Cl)s1)Cc1ccc(F)cc1C(=O)[O-] ZINC000071264892 600081895 /nfs/dbraw/zinc/08/18/95/600081895.db2.gz VUDCKJLNXUASDU-UHFFFAOYSA-N -1 1 313.781 3.871 20 0 DHADMM O=C([O-])Nc1cc(NC(=O)c2ccc(Cl)cc2O)ccc1F ZINC000740013009 600091101 /nfs/dbraw/zinc/09/11/01/600091101.db2.gz VCLJUTHAWGRQBU-UHFFFAOYSA-N -1 1 324.695 3.527 20 0 DHADMM C[C@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1cc(F)ccc1F ZINC000736663194 600422278 /nfs/dbraw/zinc/42/22/78/600422278.db2.gz WQDDDUFGPPPRIG-VFZGTOFNSA-N -1 1 309.287 3.580 20 0 DHADMM CC(C)Oc1ccccc1CN[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000736493261 600426288 /nfs/dbraw/zinc/42/62/88/600426288.db2.gz RNIMHHINXQKMES-QGZVFWFLSA-N -1 1 317.360 3.528 20 0 DHADMM C[C@H]1SCCN(Cc2ccoc2C(=O)[O-])[C@H]1c1ccccc1 ZINC000573975336 600489754 /nfs/dbraw/zinc/48/97/54/600489754.db2.gz MZLPKNOMEWJRDN-IUODEOHRSA-N -1 1 317.410 3.656 20 0 DHADMM C[C@@H]1SCCN(Cc2occc2C(=O)[O-])[C@@H]1c1ccccc1 ZINC000566361630 600490035 /nfs/dbraw/zinc/49/00/35/600490035.db2.gz LQNWNFUJIZQERB-LRDDRELGSA-N -1 1 317.410 3.656 20 0 DHADMM CN(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)C1CCCC1 ZINC000578368323 600815409 /nfs/dbraw/zinc/81/54/09/600815409.db2.gz KXOGMFQGZQXQIB-UHFFFAOYSA-N -1 1 316.426 3.883 20 0 DHADMM CCN(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)C(C)C ZINC000515068501 600819211 /nfs/dbraw/zinc/81/92/11/600819211.db2.gz TWTNDTFMZGBOKO-UHFFFAOYSA-N -1 1 304.415 3.739 20 0 DHADMM CCN(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)C1CCC1 ZINC000829734698 600832256 /nfs/dbraw/zinc/83/22/56/600832256.db2.gz MEHFDAYJUAKISQ-UHFFFAOYSA-N -1 1 316.426 3.883 20 0 DHADMM CCCC[C@H](Sc1nc(-c2ccc(C)cc2)n[nH]1)C(=O)[O-] ZINC000829296763 600833690 /nfs/dbraw/zinc/83/36/90/600833690.db2.gz YGTBAJQPKSEXTB-LBPRGKRZSA-N -1 1 305.403 3.516 20 0 DHADMM CCCC[C@H](Sc1nnc(CCC2CCCC2)[nH]1)C(=O)[O-] ZINC000736986139 600937311 /nfs/dbraw/zinc/93/73/11/600937311.db2.gz UHPWRDOWEGFWDW-LBPRGKRZSA-N -1 1 311.451 3.663 20 0 DHADMM CCCC[C@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)[O-] ZINC000736986139 600937314 /nfs/dbraw/zinc/93/73/14/600937314.db2.gz UHPWRDOWEGFWDW-LBPRGKRZSA-N -1 1 311.451 3.663 20 0 DHADMM CCc1ccc([C@H]2CCCCN2Cc2ccoc2C(=O)[O-])o1 ZINC000569734192 600968944 /nfs/dbraw/zinc/96/89/44/600968944.db2.gz ZXIIGPSZEKBUNT-CQSZACIVSA-N -1 1 303.358 3.860 20 0 DHADMM O=C([O-])c1ccoc1CN1CCC(=Cc2cccc(F)c2)CC1 ZINC000833334695 601008818 /nfs/dbraw/zinc/00/88/18/601008818.db2.gz SYXJOBXDHOPFBV-UHFFFAOYSA-N -1 1 315.344 3.796 20 0 DHADMM CCN(Cc1cc(C(=O)[O-])c(C)o1)[C@@H](C)c1cccc(O)c1 ZINC000829719018 601375586 /nfs/dbraw/zinc/37/55/86/601375586.db2.gz WLSQEGLSSCVYTP-NSHDSACASA-N -1 1 303.358 3.575 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN(CC)Cc1ccc(OC)cc1 ZINC000830362647 601413317 /nfs/dbraw/zinc/41/33/17/601413317.db2.gz GDNRXVIBKWPBQB-UHFFFAOYSA-N -1 1 317.385 3.571 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN(C)Cc1cc2ccccc2o1 ZINC000830355461 601423950 /nfs/dbraw/zinc/42/39/50/601423950.db2.gz NDDJEYHGHVJBSB-UHFFFAOYSA-N -1 1 313.353 3.918 20 0 DHADMM C/C(=C/CN1CCC[C@@H]1c1ccccc1Br)C(=O)[O-] ZINC000825741259 601498425 /nfs/dbraw/zinc/49/84/25/601498425.db2.gz LDWFMPSIZLAKFU-KOTGUFOOSA-N -1 1 324.218 3.617 20 0 DHADMM C[C@@H](c1ccccc1F)N(C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000318421515 601619708 /nfs/dbraw/zinc/61/97/08/601619708.db2.gz MLTNOYNRGZEATB-NSHDSACASA-N -1 1 305.324 3.856 20 0 DHADMM O=C([O-])c1ccc(CN2CCCC[C@H]2c2ccco2)cc1F ZINC000833312861 601641218 /nfs/dbraw/zinc/64/12/18/601641218.db2.gz IMAWBMLARXDUDY-HNNXBMFYSA-N -1 1 303.333 3.844 20 0 DHADMM CSc1cc(C)ccc1CN[C@@H](C(=O)[O-])c1ccccc1F ZINC000832774528 601644276 /nfs/dbraw/zinc/64/42/76/601644276.db2.gz NPMVWWLKMANKGK-MRXNPFEDSA-N -1 1 319.401 3.772 20 0 DHADMM Cn1cccc1[C@@H]1CCCCN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000833059542 601649810 /nfs/dbraw/zinc/64/98/10/601649810.db2.gz QZSMMBHZUOXILQ-KRWDZBQOSA-N -1 1 316.376 3.590 20 0 DHADMM COc1ccc2nc(SCc3ccsc3C(=O)[O-])[nH]c2c1 ZINC000110953112 601804223 /nfs/dbraw/zinc/80/42/23/601804223.db2.gz PCHMXLALXFFAAX-UHFFFAOYSA-N -1 1 320.395 3.624 20 0 DHADMM O=C([O-])c1sccc1CN(Cc1ccc(F)cc1)C1CC1 ZINC000568060596 601804942 /nfs/dbraw/zinc/80/49/42/601804942.db2.gz HVROOXYZNJNJOY-UHFFFAOYSA-N -1 1 305.374 3.750 20 0 DHADMM Cc1nc(C)c([C@H](C)N(C)Cc2ccsc2C(=O)[O-])s1 ZINC000566802033 601823760 /nfs/dbraw/zinc/82/37/60/601823760.db2.gz SJIIWGNCULSUKR-VIFPVBQESA-N -1 1 310.444 3.713 20 0 DHADMM c1ccc2c(c1)CCC[C@H]2SCc1ccnc(-c2nnn[n-]2)c1 ZINC000826523096 607544859 /nfs/dbraw/zinc/54/48/59/607544859.db2.gz AGYZJFRLYYFKCH-MRXNPFEDSA-N -1 1 323.425 3.573 20 0 DHADMM c1ccc2c(c1)CCC[C@H]2SCc1ccnc(-c2nn[n-]n2)c1 ZINC000826523096 607544861 /nfs/dbraw/zinc/54/48/61/607544861.db2.gz AGYZJFRLYYFKCH-MRXNPFEDSA-N -1 1 323.425 3.573 20 0 DHADMM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1C[C@H]2CCC[C@H]21 ZINC000833169230 602207499 /nfs/dbraw/zinc/20/74/99/602207499.db2.gz AEFZIPYOJHNGKG-WQHBLYJGSA-N -1 1 300.185 3.603 20 0 DHADMM CN(Cc1c[nH]c(C(=O)[O-])c1)Cc1ccc(Cl)c(Cl)c1 ZINC000833694343 604520560 /nfs/dbraw/zinc/52/05/60/604520560.db2.gz GQDGOSKDFJZVKS-UHFFFAOYSA-N -1 1 313.184 3.652 20 0 DHADMM CC(C)Cc1ncc(CN(C)Cc2ccc(C(=O)[O-])cc2)s1 ZINC000833494422 604575948 /nfs/dbraw/zinc/57/59/48/604575948.db2.gz PUVXSZRAHFHZTR-UHFFFAOYSA-N -1 1 318.442 3.672 20 0 DHADMM C[C@H](Oc1ccc(CN2Cc3ccccc3[C@@H]2C)cc1)C(=O)[O-] ZINC000833540143 604655621 /nfs/dbraw/zinc/65/56/21/604655621.db2.gz KGQOIAZEJQLOIN-KBPBESRZSA-N -1 1 311.381 3.615 20 0 DHADMM C[C@]1(C(=O)[O-])CCN(Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000263449955 604673708 /nfs/dbraw/zinc/67/37/08/604673708.db2.gz ADDQJNGLBIBIAU-ZDUSSCGKSA-N -1 1 321.726 3.655 20 0 DHADMM CC(C)(NCc1ccc(C(=O)[O-])cc1F)c1ccc(F)cc1 ZINC000833461458 604763168 /nfs/dbraw/zinc/76/31/68/604763168.db2.gz XQYICVRGHVYDSJ-UHFFFAOYSA-N -1 1 305.324 3.688 20 0 DHADMM CC[C@H](NCc1ccc(C(=O)[O-])cc1F)c1ccc(OC)cc1 ZINC000833644710 605062958 /nfs/dbraw/zinc/06/29/58/605062958.db2.gz QXMGOSZYRVFILM-KRWDZBQOSA-N -1 1 317.360 3.773 20 0 DHADMM C[C@H](c1cc(F)ccc1F)N(C)Cc1ccccc1CC(=O)[O-] ZINC000833548057 605064704 /nfs/dbraw/zinc/06/47/04/605064704.db2.gz ZXUQWRKMDXCJSQ-GFCCVEGCSA-N -1 1 319.351 3.785 20 0 DHADMM CC[C@@H](NCc1ccc(C(=O)[O-])cc1F)c1ccccc1OC ZINC000833644173 605079456 /nfs/dbraw/zinc/07/94/56/605079456.db2.gz MAOHDYPWCNWUFF-MRXNPFEDSA-N -1 1 317.360 3.773 20 0 DHADMM CC(C)CSCCN[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833491634 605360149 /nfs/dbraw/zinc/36/01/49/605360149.db2.gz UUQRDICBEKLIIK-ZDUSSCGKSA-N -1 1 319.829 3.584 20 0 DHADMM O=C([O-])Nc1ccc(CN2CCC[C@@H]2c2ccc(F)cc2)cn1 ZINC000834259944 605469620 /nfs/dbraw/zinc/46/96/20/605469620.db2.gz JRKPHNOBSZRSFM-OAHLLOKOSA-N -1 1 315.348 3.648 20 0 DHADMM O=C([O-])Nc1ccc2c(c1)CC[C@@H]2NCc1ccccc1F ZINC000834263123 605565945 /nfs/dbraw/zinc/56/59/45/605565945.db2.gz QMZBTYHUXKRBLG-INIZCTEOSA-N -1 1 300.333 3.693 20 0 DHADMM O=C([O-])Nc1ccc2c(c1)CC[C@H]2NCc1ccc(Cl)o1 ZINC000834261904 605652652 /nfs/dbraw/zinc/65/26/52/605652652.db2.gz GHJSVQUOZWGALJ-CYBMUJFWSA-N -1 1 306.749 3.800 20 0 DHADMM C[C@H](C(=O)[O-])[C@@H](NCc1c(F)cccc1F)c1ccccc1 ZINC000833406852 605677392 /nfs/dbraw/zinc/67/73/92/605677392.db2.gz KCRXPVLGAWJYOH-MEDUHNTESA-N -1 1 305.324 3.516 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000833679366 605703746 /nfs/dbraw/zinc/70/37/46/605703746.db2.gz YFOVUVRAUJAEBH-ONGXEEELSA-N -1 1 319.323 3.703 20 0 DHADMM O=C([O-])N[C@@H]1C[C@H](N[C@H]2CCCc3occc32)c2ccccc21 ZINC000834160761 605793663 /nfs/dbraw/zinc/79/36/63/605793663.db2.gz WCIDXLCMKJMXEF-HRCADAONSA-N -1 1 312.369 3.700 20 0 DHADMM Cc1ccc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)c(Cl)c1 ZINC000822266584 606469200 /nfs/dbraw/zinc/46/92/00/606469200.db2.gz DOYGPHHRYSOYFY-UHFFFAOYSA-N -1 1 322.155 3.669 20 0 DHADMM Cc1ccc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)c(Cl)c1 ZINC000822266584 606469201 /nfs/dbraw/zinc/46/92/01/606469201.db2.gz DOYGPHHRYSOYFY-UHFFFAOYSA-N -1 1 322.155 3.669 20 0 DHADMM CC(C)(C)CCCCNc1nc(Cl)c(-c2nn[n-]n2)s1 ZINC001573844615 950204184 /nfs/dbraw/zinc/20/41/84/950204184.db2.gz KQQKAFDRPDIDBC-UHFFFAOYSA-N -1 1 314.846 3.605 20 0 DHADMM CC(C)(C)CCCCNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001573844615 950204176 /nfs/dbraw/zinc/20/41/76/950204176.db2.gz KQQKAFDRPDIDBC-UHFFFAOYSA-N -1 1 314.846 3.605 20 0 DHADMM CCC(CC)(CN[C@H](CCc1ccccc1)C(F)F)C(=O)[O-] ZINC000263062154 950240555 /nfs/dbraw/zinc/24/05/55/950240555.db2.gz MYGMKXGIKOJOMG-CQSZACIVSA-N -1 1 313.388 3.734 20 0 DHADMM O=C([O-])C[C@H]1CCCCN1Cc1csc(C2CCCC2)n1 ZINC000650506440 954021345 /nfs/dbraw/zinc/02/13/45/954021345.db2.gz LZEBRXMAVBFLIK-CQSZACIVSA-N -1 1 308.447 3.630 20 0 DHADMM C[C@H]1CN(Cc2nc(C3CCCCC3)cs2)CC[C@@H]1C(=O)[O-] ZINC001589401295 954431144 /nfs/dbraw/zinc/43/11/44/954431144.db2.gz KOKBAUOMXYSEKQ-JSGCOSHPSA-N -1 1 322.474 3.733 20 0 DHADMM COCc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)o1 ZINC000350819450 1017336206 /nfs/dbraw/zinc/33/62/06/1017336206.db2.gz ZRRJIZQKGDMEKC-UHFFFAOYSA-N -1 1 306.705 3.502 20 0 DHADMM C[C@H](NCc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)[O-] ZINC000113404716 958446175 /nfs/dbraw/zinc/44/61/75/958446175.db2.gz OSPJXNABACFNIQ-VIFPVBQESA-N -1 1 313.275 3.528 20 0 DHADMM CC(C)(C)CCCC[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC001209455340 1013301106 /nfs/dbraw/zinc/30/11/06/1013301106.db2.gz IRRRHIPNUFEPJN-UHFFFAOYSA-N -1 1 323.380 3.599 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(Oc2cccnc2)cc1 ZINC000340328626 1013497377 /nfs/dbraw/zinc/49/73/77/1013497377.db2.gz BMXNYUKBOVCYRA-UHFFFAOYSA-N -1 1 324.311 3.971 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1csc(Br)c1 ZINC000340330765 1013497559 /nfs/dbraw/zinc/49/75/59/1013497559.db2.gz STJRMASBDHKRRQ-UHFFFAOYSA-N -1 1 316.151 3.608 20 0 DHADMM Cc1nc(-c2ccccc2)ncc1C(=O)Nc1ccc(F)cc1[O-] ZINC000340329492 1013498317 /nfs/dbraw/zinc/49/83/17/1013498317.db2.gz HTWUCCISIWYVII-UHFFFAOYSA-N -1 1 323.327 3.549 20 0 DHADMM O=c1nc(-c2ccc([O-])cn2)[nH]c2scc(-c3ccccc3)c21 ZINC000427460935 1013540333 /nfs/dbraw/zinc/54/03/33/1013540333.db2.gz WNNVXQNRNJNJCM-UHFFFAOYSA-N -1 1 321.361 3.832 20 0 DHADMM CSc1ccccc1S(=O)(=O)[N-]c1c(C)cccc1C ZINC000188265843 1013665343 /nfs/dbraw/zinc/66/53/43/1013665343.db2.gz PKEIIWCOLDRVOH-UHFFFAOYSA-N -1 1 307.440 3.826 20 0 DHADMM CCc1nc(S[C@@H](CC)C(=O)c2ccccc2)[n-]c(=O)c1C ZINC000579978738 1013828905 /nfs/dbraw/zinc/82/89/05/1013828905.db2.gz BNDCQAYAEMIRAO-AWEZNQCLSA-N -1 1 316.426 3.807 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CCOc2ccccc21 ZINC000070333861 1013823210 /nfs/dbraw/zinc/82/32/10/1013823210.db2.gz CYICHHWVYAVBFP-LBPRGKRZSA-N -1 1 303.745 3.550 20 0 DHADMM O=C([N-]c1cccc(Cl)c1SCC(F)F)c1cocn1 ZINC000134995532 1013852725 /nfs/dbraw/zinc/85/27/25/1013852725.db2.gz ZPEHKOGZNWYVRR-UHFFFAOYSA-N -1 1 318.732 3.938 20 0 DHADMM C[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1ccc(Cl)cn1 ZINC000188721318 1013893881 /nfs/dbraw/zinc/89/38/81/1013893881.db2.gz JZGSTCQNOKRWSI-QMMMGPOBSA-N -1 1 311.168 3.585 20 0 DHADMM Cc1ccc(C)c(OCCC(=O)Nc2c([O-])cccc2F)c1 ZINC000089541401 1014102306 /nfs/dbraw/zinc/10/23/06/1014102306.db2.gz SIXRHZBZRYTMOL-UHFFFAOYSA-N -1 1 303.333 3.556 20 0 DHADMM COc1cc(Cl)ccc1CN[C@H](C(=O)[O-])c1cccc(C)c1 ZINC001604720101 973923439 /nfs/dbraw/zinc/92/34/39/973923439.db2.gz UHWJIAUZJJYCPB-INIZCTEOSA-N -1 1 319.788 3.573 20 0 DHADMM O=C([O-])c1ccc(CN[C@@H](c2ccccc2)c2cccnc2)s1 ZINC001606491190 973975943 /nfs/dbraw/zinc/97/59/43/973975943.db2.gz QTSFVWPLPZIRKG-KRWDZBQOSA-N -1 1 324.405 3.721 20 0 DHADMM C[C@H]1CCCCN1Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000563279179 974524344 /nfs/dbraw/zinc/52/43/44/974524344.db2.gz POGZNGHNWZGPFG-LBPRGKRZSA-N -1 1 316.426 3.883 20 0 DHADMM O=C([O-])C[C@H]1CCCN1Cc1nc(C2CCCCC2)cs1 ZINC000569934842 974702059 /nfs/dbraw/zinc/70/20/59/974702059.db2.gz RNUKMSKLEDPTNL-CYBMUJFWSA-N -1 1 308.447 3.630 20 0 DHADMM COc1ccc([C@@H]2CCCN2Cc2cc(C)c(C(=O)[O-])o2)cc1 ZINC000571410060 974728419 /nfs/dbraw/zinc/72/84/19/974728419.db2.gz OGRCEVXTHCATJZ-INIZCTEOSA-N -1 1 315.369 3.632 20 0 DHADMM CCc1oc2ccccc2c1CN(C)Cc1occc1C(=O)[O-] ZINC000573689092 974769682 /nfs/dbraw/zinc/76/96/82/974769682.db2.gz KWHWRHJCPXHBLM-UHFFFAOYSA-N -1 1 313.353 3.918 20 0 DHADMM Cc1oc(CN2CC[C@H](C)C[C@H]2c2ccco2)cc1C(=O)[O-] ZINC000576166690 974810315 /nfs/dbraw/zinc/81/03/15/974810315.db2.gz ZBMURQKKFBRIOP-NHYWBVRUSA-N -1 1 303.358 3.852 20 0 DHADMM Cc1sc2[nH]c(-c3ccc([O-])cc3Cl)nc(=O)c2c1C ZINC000190096371 1014234143 /nfs/dbraw/zinc/23/41/43/1014234143.db2.gz LIUPWNGENGLWSK-UHFFFAOYSA-N -1 1 306.774 3.627 20 0 DHADMM Cc1ccc([C@@H]2CCCCCN2Cc2ccc(C(=O)[O-])cn2)o1 ZINC000652422279 975528145 /nfs/dbraw/zinc/52/81/45/975528145.db2.gz WYPBNNQGGSNQEW-INIZCTEOSA-N -1 1 314.385 3.799 20 0 DHADMM CC(C)c1ccc(C(C)(C)NCc2oncc2C(=O)[O-])cc1 ZINC001591947842 976495391 /nfs/dbraw/zinc/49/53/91/976495391.db2.gz YXXVANAUMSDHIL-UHFFFAOYSA-N -1 1 302.374 3.521 20 0 DHADMM COC(=O)c1cc2[nH]ccc2cc1-c1cc(F)c([O-])cc1F ZINC001211339202 1014358127 /nfs/dbraw/zinc/35/81/27/1014358127.db2.gz LQRYGPMWAVRIDD-UHFFFAOYSA-N -1 1 303.264 3.605 20 0 DHADMM C[C@](CC(=O)[O-])(NCc1cccc(F)c1F)c1cccc(F)c1 ZINC001592328090 977745148 /nfs/dbraw/zinc/74/51/48/977745148.db2.gz ISGADFVNMTYGFV-QGZVFWFLSA-N -1 1 323.314 3.584 20 0 DHADMM O=C([O-])c1ccc2c(c1)CN(CCCCOc1ccccc1)C2 ZINC000740201927 978672196 /nfs/dbraw/zinc/67/21/96/978672196.db2.gz CAUBIBNNEPOQET-UHFFFAOYSA-N -1 1 311.381 3.560 20 0 DHADMM C[C@H]1C(=O)CC[C@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1(C)C ZINC000276015700 1014531257 /nfs/dbraw/zinc/53/12/57/1014531257.db2.gz UKTPPQCRZBTKQW-GXSJLCMTSA-N -1 1 309.793 3.626 20 0 DHADMM C[C@H](Cc1cccs1)N(C)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001592899894 979816557 /nfs/dbraw/zinc/81/65/57/979816557.db2.gz LINUQCDIMGBMMH-ZJUUUORDSA-N -1 1 310.444 3.527 20 0 DHADMM CC[C@H](CSc1ccccc1)NCc1ncc(C(=O)[O-])s1 ZINC001595202583 979956002 /nfs/dbraw/zinc/95/60/02/979956002.db2.gz DFQAFVNAABJIMI-LLVKDONJSA-N -1 1 322.455 3.502 20 0 DHADMM C[C@@]1(C(F)(F)F)CCN(Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000872166695 980063450 /nfs/dbraw/zinc/06/34/50/980063450.db2.gz NXODXTVCHUOHNX-CYBMUJFWSA-N -1 1 321.726 3.813 20 0 DHADMM CCc1oc(CN[C@]2(C)CCCc3ccccc32)cc1C(=O)[O-] ZINC000901439672 980288410 /nfs/dbraw/zinc/28/84/10/980288410.db2.gz WMNUPQYGSNETLP-LJQANCHMSA-N -1 1 313.397 3.882 20 0 DHADMM CC[C@H](N[C@H](C(=O)[O-])c1ccsc1)c1cc(F)ccc1OC ZINC001595277679 980308106 /nfs/dbraw/zinc/30/81/06/980308106.db2.gz XTZPFAGYLIZCKQ-ZFWWWQNUSA-N -1 1 323.389 3.762 20 0 DHADMM CC[C@H](N[C@@H](C)c1cc(C(=O)[O-])co1)c1ccc(OC)cc1 ZINC001595278773 980313221 /nfs/dbraw/zinc/31/32/21/980313221.db2.gz IPHMSDQHDYGRQB-NHYWBVRUSA-N -1 1 303.358 3.788 20 0 DHADMM Cc1ccc(-c2n[nH]c(NC(=O)CC[C@@H](C)c3ccccc3)n2)o1 ZINC000442272049 1014653824 /nfs/dbraw/zinc/65/38/24/1014653824.db2.gz SHZSSGKVUQAQHY-GFCCVEGCSA-N -1 1 324.384 3.896 20 0 DHADMM CC(C)O[C@H](CN[C@@H](C(=O)[O-])c1cccs1)c1ccccc1 ZINC000901597018 980399298 /nfs/dbraw/zinc/39/92/98/980399298.db2.gz DKOOVXZNLUHAGF-GDBMZVCRSA-N -1 1 319.426 3.630 20 0 DHADMM CN(Cc1ccc(C(=O)[O-])o1)Cc1ccccc1C(F)(F)F ZINC000581256149 1014655416 /nfs/dbraw/zinc/65/54/16/1014655416.db2.gz NOQFGOZTPBQXPI-UHFFFAOYSA-N -1 1 313.275 3.629 20 0 DHADMM CC[C@@H](NCc1cc(C(=O)[O-])c(C)n1C)c1ccc(F)cc1F ZINC001595298882 980421789 /nfs/dbraw/zinc/42/17/89/980421789.db2.gz WXFRDKIOLMCJHC-MRXNPFEDSA-N -1 1 322.355 3.551 20 0 DHADMM CC[C@@H](NCc1cc(F)ccc1OC)c1ccc(C(=O)[O-])cc1 ZINC001595299172 980424385 /nfs/dbraw/zinc/42/43/85/980424385.db2.gz LXLUXYPSEBDYRI-MRXNPFEDSA-N -1 1 317.360 3.773 20 0 DHADMM CC[C@H](NCc1ccccc1CC(=O)[O-])c1cc(F)ccc1F ZINC001595304821 980440696 /nfs/dbraw/zinc/44/06/96/980440696.db2.gz IRZWBOFFFLFTAL-KRWDZBQOSA-N -1 1 319.351 3.833 20 0 DHADMM CC[C@@H](NCc1cnc(C(=O)[O-])cn1)c1cccc2ccccc21 ZINC001595305369 980445538 /nfs/dbraw/zinc/44/55/38/980445538.db2.gz PNKXDZZULAFDOQ-QGZVFWFLSA-N -1 1 321.380 3.569 20 0 DHADMM C[C@@H]1CCN(Cc2ccc(-c3ccc(F)cc3)o2)[C@@H](C(=O)[O-])C1 ZINC000902018926 980695036 /nfs/dbraw/zinc/69/50/36/980695036.db2.gz VUBWMVSMYJWEFN-MLGOLLRUSA-N -1 1 317.360 3.771 20 0 DHADMM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1ccc(CSC(F)F)o1 ZINC000902018860 980695240 /nfs/dbraw/zinc/69/52/40/980695240.db2.gz JMGZSULVXHMDBY-LBPRGKRZSA-N -1 1 321.389 3.667 20 0 DHADMM C[C@@H]1CCN(Cc2cc(F)cc(C(F)(F)F)c2)[C@H](C(=O)[O-])C1 ZINC000902018962 980695317 /nfs/dbraw/zinc/69/53/17/980695317.db2.gz VYTYVEUPPKJBFW-RNCFNFMXSA-N -1 1 319.298 3.530 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CN[C@@H]1CCSc2ccccc21 ZINC000902068843 980718977 /nfs/dbraw/zinc/71/89/77/980718977.db2.gz GPOVCIJHQMQYFM-CYBMUJFWSA-N -1 1 303.383 3.613 20 0 DHADMM Cc1cc(CN[C@H]2CCSc3ccccc32)oc1C(=O)[O-] ZINC000902068481 980718991 /nfs/dbraw/zinc/71/89/91/980718991.db2.gz ATZBFYWAKLMIAB-ZDUSSCGKSA-N -1 1 303.383 3.613 20 0 DHADMM C[C@H](NCc1cccc(C(=O)[O-])n1)c1cccc(C(F)(F)F)c1 ZINC000902069753 980719599 /nfs/dbraw/zinc/71/95/99/980719599.db2.gz IMHZQMRJKDRLLW-JTQLQIEISA-N -1 1 324.302 3.649 20 0 DHADMM O=C([O-])c1csc(CN[C@@H]2CCOc3c(Cl)cccc32)c1 ZINC000902178940 980771207 /nfs/dbraw/zinc/77/12/07/980771207.db2.gz YCYMIBFQFRLSFM-CYBMUJFWSA-N -1 1 323.801 3.713 20 0 DHADMM Cc1[nH]c2ccc(CNCc3cc(C(=O)[O-])c(C)o3)cc2c1C ZINC000902186157 980774293 /nfs/dbraw/zinc/77/42/93/980774293.db2.gz XQRLHISQPGJTIG-UHFFFAOYSA-N -1 1 312.369 3.674 20 0 DHADMM O=C([O-])c1occc1CNCc1ccc(OC2CCCC2)cc1 ZINC000902202614 980781157 /nfs/dbraw/zinc/78/11/57/980781157.db2.gz HHEUUSGKHXOVNV-UHFFFAOYSA-N -1 1 315.369 3.589 20 0 DHADMM O=C([O-])c1ccc(CNC2(c3cccc(Cl)c3)CCC2)o1 ZINC000902374055 980860102 /nfs/dbraw/zinc/86/01/02/980860102.db2.gz XFQDOQMUSQCDRY-UHFFFAOYSA-N -1 1 305.761 3.800 20 0 DHADMM CCC[C@H](NCc1ccoc1C(=O)[O-])c1ccc(F)cc1F ZINC000902381403 980863361 /nfs/dbraw/zinc/86/33/61/980863361.db2.gz MYCXOIUWWKXOPO-AWEZNQCLSA-N -1 1 309.312 3.887 20 0 DHADMM CCc1oc(CNCc2c(C)oc3ccccc32)cc1C(=O)[O-] ZINC000902409568 980874681 /nfs/dbraw/zinc/87/46/81/980874681.db2.gz GELLZOYFBFXHTJ-UHFFFAOYSA-N -1 1 313.353 3.885 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CNCc1ccsc1C(F)(F)F ZINC000902492962 980908592 /nfs/dbraw/zinc/90/85/92/980908592.db2.gz GETSCOHOXHLFTH-UHFFFAOYSA-N -1 1 319.304 3.656 20 0 DHADMM CC[C@H](c1ccccc1OC)N(C)Cc1ccc(C(=O)[O-])o1 ZINC000902542099 980927112 /nfs/dbraw/zinc/92/71/12/980927112.db2.gz DHRQMXTXBMQYSQ-CQSZACIVSA-N -1 1 303.358 3.570 20 0 DHADMM O=C([O-])c1ccc(CNC2(c3ccccc3F)CCC2)s1 ZINC000903690683 981014230 /nfs/dbraw/zinc/01/42/30/981014230.db2.gz ODDYYKDJAAWAGR-UHFFFAOYSA-N -1 1 305.374 3.754 20 0 DHADMM Cc1cnc(Cl)c(CN[C@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000904012350 981080388 /nfs/dbraw/zinc/08/03/88/981080388.db2.gz WONPVMUPIRVBDL-OAHLLOKOSA-N -1 1 318.804 3.739 20 0 DHADMM CCc1cc2c(COC(=O)C(CC)CC)cc(=O)oc2cc1[O-] ZINC000728326544 1014719840 /nfs/dbraw/zinc/71/98/40/1014719840.db2.gz APPACCRXSXQFKR-UHFFFAOYSA-N -1 1 318.369 3.540 20 0 DHADMM COc1cc(C(=O)N2CCCCC(C)(C)C2)cc(Cl)c1[O-] ZINC000442935008 1014771629 /nfs/dbraw/zinc/77/16/29/1014771629.db2.gz MVWIFLMXYRFPRL-UHFFFAOYSA-N -1 1 311.809 3.707 20 0 DHADMM COc1cc(-c2nc(-c3ccsc3)no2)cc(Cl)c1[O-] ZINC000443089641 1014804276 /nfs/dbraw/zinc/80/42/76/1014804276.db2.gz AIVQYHMXTHIFFD-UHFFFAOYSA-N -1 1 308.746 3.833 20 0 DHADMM CCC[C@H]1CCCCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000443132344 1014817633 /nfs/dbraw/zinc/81/76/33/1014817633.db2.gz LUSGASMQGUASIP-LBPRGKRZSA-N -1 1 311.809 3.849 20 0 DHADMM CCCCN(Cc1c[nH]c(C(=O)[O-])c1)Cc1ccccc1F ZINC001595749316 982422557 /nfs/dbraw/zinc/42/25/57/982422557.db2.gz XFUVSYRXUCVKIS-UHFFFAOYSA-N -1 1 304.365 3.654 20 0 DHADMM COc1cc(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)cc(Cl)c1[O-] ZINC000443288299 1014861428 /nfs/dbraw/zinc/86/14/28/1014861428.db2.gz LNKRAEZQTPMVMQ-NTZNESFSSA-N -1 1 323.820 3.753 20 0 DHADMM COc1cnc(F)cc1Nc1cc(Cl)cc(Cl)c1[O-] ZINC001215805422 1014867074 /nfs/dbraw/zinc/86/70/74/1014867074.db2.gz ATIAKCBGDBHKRQ-UHFFFAOYSA-N -1 1 303.120 3.985 20 0 DHADMM COc1cc(NC(=O)c2ccc3ccccc3c2[O-])cc(OC)c1 ZINC000323816187 1014892884 /nfs/dbraw/zinc/89/28/84/1014892884.db2.gz CIDZLAPGMDFXDX-UHFFFAOYSA-N -1 1 323.348 3.815 20 0 DHADMM C[C@H]1CC[C@@H](CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC001626758595 1014955080 /nfs/dbraw/zinc/95/50/80/1014955080.db2.gz IVTOAJKKDRUEAM-VHSXEESVSA-N -1 1 301.308 3.577 20 0 DHADMM CCN(Cc1cc(C)c(C(=O)[O-])[nH]1)Cc1cccc(Cl)c1 ZINC001596364370 983846609 /nfs/dbraw/zinc/84/66/09/983846609.db2.gz AWWKQZFLZKJXIY-UHFFFAOYSA-N -1 1 306.793 3.697 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H]1c1cccc(F)c1 ZINC000094032601 1015005112 /nfs/dbraw/zinc/00/51/12/1015005112.db2.gz BJQHIPIXQSVACB-HNNXBMFYSA-N -1 1 303.308 3.648 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N(Cc1ccco1)C1CCCC1 ZINC000094037237 1015005339 /nfs/dbraw/zinc/00/53/39/1015005339.db2.gz SWWRKTMBDPQQJF-UHFFFAOYSA-N -1 1 303.333 3.709 20 0 DHADMM Cc1nc(-c2ccc(NC[C@@]34C[C@@H]3CCCC4)nc2)[n-]c(=O)c1C ZINC000895428228 1015144090 /nfs/dbraw/zinc/14/40/90/1015144090.db2.gz STVHWRYXWXOITB-HNAYVOBHSA-N -1 1 324.428 3.853 20 0 DHADMM COc1cc(C(=O)NC[C@@H]2CCC[C@@H]2C2CC2)cc(Cl)c1[O-] ZINC000581654466 1015144642 /nfs/dbraw/zinc/14/46/42/1015144642.db2.gz VCXGYKHTKOMXPQ-WCQYABFASA-N -1 1 323.820 3.610 20 0 DHADMM C[C@H]1Oc2ccccc2[C@H]1NCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001594655476 986890736 /nfs/dbraw/zinc/89/07/36/986890736.db2.gz RSFMHLLEOVOJSM-HWPZZCPQSA-N -1 1 317.772 3.650 20 0 DHADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1csc(C2CCCCC2)n1 ZINC000581725913 1015270392 /nfs/dbraw/zinc/27/03/92/1015270392.db2.gz NUYWDPKFNKNGGJ-OCCSQVGLSA-N -1 1 322.474 3.876 20 0 DHADMM CC[C@H](NCc1ccc(/C=C/C(=O)[O-])o1)c1ccc(F)cc1 ZINC001597349433 987485638 /nfs/dbraw/zinc/48/56/38/987485638.db2.gz IUYUKRZJJSPAGQ-SCOAYWHSSA-N -1 1 303.333 3.757 20 0 DHADMM CCc1[nH]c(CNCc2cc3cc(C)ccc3o2)cc1C(=O)[O-] ZINC001597395353 987647422 /nfs/dbraw/zinc/64/74/22/987647422.db2.gz SODOCJXNMMZTAE-UHFFFAOYSA-N -1 1 312.369 3.620 20 0 DHADMM CCc1cnc(CN[C@@H](CC)c2ccc(C(=O)[O-])cc2)s1 ZINC001597630914 988594189 /nfs/dbraw/zinc/59/41/89/988594189.db2.gz INLLALGICVJNFM-AWEZNQCLSA-N -1 1 304.415 3.645 20 0 DHADMM Cc1ccc(-c2ccc(C)c(NC(=O)C3=C([O-])C(C)N=N3)c2)o1 ZINC000684501824 1015607801 /nfs/dbraw/zinc/60/78/01/1015607801.db2.gz XBRGCWQMCMOPDA-UHFFFAOYSA-N -1 1 311.341 3.553 20 0 DHADMM COc1ccccc1C1(NCc2cccc(C(=O)[O-])c2)CCC1 ZINC001599703273 991253603 /nfs/dbraw/zinc/25/36/03/991253603.db2.gz BUOSEODNZLKPEV-UHFFFAOYSA-N -1 1 311.381 3.562 20 0 DHADMM Cn1ncc2c1nc(Oc1ccc(C3CCCCC3)cc1)[n-]c2=O ZINC000329106093 1015641912 /nfs/dbraw/zinc/64/19/12/1015641912.db2.gz HHRZPLZITVMTIB-UHFFFAOYSA-N -1 1 324.384 3.909 20 0 DHADMM CC(C)C[C@H]1CCCN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)C1 ZINC001591207573 992042994 /nfs/dbraw/zinc/04/29/94/992042994.db2.gz RFZPTEGVHUKJOL-CYBMUJFWSA-N -1 1 315.417 3.519 20 0 DHADMM Cc1cnc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c([O-])c1 ZINC000329316994 1015682926 /nfs/dbraw/zinc/68/29/26/1015682926.db2.gz QRAMLYNWJVJDFB-ZACQAIPSSA-N -1 1 322.408 3.504 20 0 DHADMM CC(C)CN(Cc1ccoc1C(=O)[O-])Cc1ccccc1F ZINC001591344117 992328627 /nfs/dbraw/zinc/32/86/27/992328627.db2.gz OCODVPHCYMVGGC-UHFFFAOYSA-N -1 1 305.349 3.775 20 0 DHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC[C@H]2CCC[C@@H]21 ZINC000896685875 1015704372 /nfs/dbraw/zinc/70/43/72/1015704372.db2.gz KPCPXWPXWORITI-DYVFJYSZSA-N -1 1 311.381 3.656 20 0 DHADMM CN(Cc1[nH]cc(C(=O)[O-])c1C1CC1)Cc1ccc2cc[nH]c2c1 ZINC001598524596 992703152 /nfs/dbraw/zinc/70/31/52/992703152.db2.gz JYSYXUBMLYPMGS-UHFFFAOYSA-N -1 1 323.396 3.704 20 0 DHADMM CC(C)(C)[C@@H]1CN(C(=O)c2ccc(O)cc2[O-])c2ccccc21 ZINC000443861187 1015777664 /nfs/dbraw/zinc/77/76/64/1015777664.db2.gz QGDVBKKVXBWDRB-OAHLLOKOSA-N -1 1 311.381 3.888 20 0 DHADMM CC[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001211889453 1015801169 /nfs/dbraw/zinc/80/11/69/1015801169.db2.gz BYSRGFIYRGKSOW-WDEREUQCSA-N -1 1 319.829 3.584 20 0 DHADMM CC(C)[C@H](N[C@H](C)c1cncc(C(=O)[O-])c1)c1ccccc1F ZINC001593211082 994260016 /nfs/dbraw/zinc/26/00/16/994260016.db2.gz VNSMYJPCEVPAAZ-PXAZEXFGSA-N -1 1 316.376 3.967 20 0 DHADMM C[C@@H](NCc1ccccc1C(F)(F)F)c1cc(C(=O)[O-])co1 ZINC001593302898 994730083 /nfs/dbraw/zinc/73/00/83/994730083.db2.gz BEWIQVORDXCTLO-SECBINFHSA-N -1 1 313.275 3.847 20 0 DHADMM COc1cccc(C[N@@H+](C)Cc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001599670629 994805218 /nfs/dbraw/zinc/80/52/18/994805218.db2.gz DEMSMGVROBGNEM-UHFFFAOYSA-N -1 1 319.788 3.679 20 0 DHADMM COc1cccc(Cl)c1CN[C@H](C(=O)[O-])c1ccccc1C ZINC001599676439 994904948 /nfs/dbraw/zinc/90/49/48/994904948.db2.gz ITKIPVXMUJYOLL-INIZCTEOSA-N -1 1 319.788 3.573 20 0 DHADMM COc1cccc(Cl)c1CN[C@@H](C(=O)[O-])c1ccccc1C ZINC001599676441 994906303 /nfs/dbraw/zinc/90/63/03/994906303.db2.gz ITKIPVXMUJYOLL-MRXNPFEDSA-N -1 1 319.788 3.573 20 0 DHADMM C[C@@H](c1ccco1)N(C)Cc1ccnc2c(C(=O)[O-])cccc12 ZINC001593718925 996241038 /nfs/dbraw/zinc/24/10/38/996241038.db2.gz GVKPSDHBQVGBJK-LBPRGKRZSA-N -1 1 310.353 3.719 20 0 DHADMM Cc1[nH]nc2ccc(-c3ccccc3CC3(C(=O)[O-])CC3)cc12 ZINC000657203179 1016028819 /nfs/dbraw/zinc/02/88/19/1016028819.db2.gz JMJOHPGHTXKZFH-UHFFFAOYSA-N -1 1 306.365 3.946 20 0 DHADMM CC(C)Oc1cc(-c2cc(C(F)(F)F)n[nH]2)ccc1C(=O)[O-] ZINC000657203272 1016031560 /nfs/dbraw/zinc/03/15/60/1016031560.db2.gz ROQUZADUNYUCQI-UHFFFAOYSA-N -1 1 314.263 3.581 20 0 DHADMM CC1(C)c2ccccc2CCN1Cc1cc(C(=O)[O-])ccc1F ZINC001593987825 997234691 /nfs/dbraw/zinc/23/46/91/997234691.db2.gz DNTNLDLQWQLOBA-UHFFFAOYSA-N -1 1 313.372 3.817 20 0 DHADMM CCc1nc(SCCCOc2ccccc2)[n-]c(=O)c1C ZINC000657263923 1016135846 /nfs/dbraw/zinc/13/58/46/1016135846.db2.gz MPJPLVUWTUTXHL-UHFFFAOYSA-N -1 1 304.415 3.614 20 0 DHADMM COc1ccc(C)cc1CN[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001599534886 997725838 /nfs/dbraw/zinc/72/58/38/997725838.db2.gz WQUUBRNQDDFSEI-MRXNPFEDSA-N -1 1 319.788 3.573 20 0 DHADMM C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1ccsc1C(=O)[O-] ZINC001594174225 998668936 /nfs/dbraw/zinc/66/89/36/998668936.db2.gz RETWNQMSUYWFNL-SCZZXKLOSA-N -1 1 307.337 3.609 20 0 DHADMM C[C@H]1C[C@@H](C(F)(F)F)CCN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC001594215235 998828992 /nfs/dbraw/zinc/82/89/92/998828992.db2.gz QQZYFZPCSKJJNT-ONGXEEELSA-N -1 1 319.298 3.687 20 0 DHADMM C[C@H]1C[C@H](NCc2ccc(Cl)c(C(=O)[O-])n2)c2ccccc21 ZINC001594261609 999010575 /nfs/dbraw/zinc/01/05/75/999010575.db2.gz OCSMXQHQGUBDCQ-BONVTDFDSA-N -1 1 316.788 3.771 20 0 DHADMM C[C@H]1C[C@@H](c2ccccc2F)N(Cc2cncc(C(=O)[O-])c2)C1 ZINC001594268887 999039680 /nfs/dbraw/zinc/03/96/80/999039680.db2.gz CLNKPXFAXSLELU-SJCJKPOMSA-N -1 1 314.360 3.502 20 0 DHADMM C[C@@H]1C[C@H](c2ccccc2F)N(Cc2cccc(C(=O)[O-])n2)C1 ZINC001594269589 999041906 /nfs/dbraw/zinc/04/19/06/999041906.db2.gz KRVOOMVIPKSMCA-SJKOYZFVSA-N -1 1 314.360 3.502 20 0 DHADMM COc1ncc(C)cc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000622407230 1016392456 /nfs/dbraw/zinc/39/24/56/1016392456.db2.gz MIKOAZWJCYIGIQ-UHFFFAOYSA-N -1 1 308.337 3.510 20 0 DHADMM COc1ccc(F)c(NC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000622426156 1016403412 /nfs/dbraw/zinc/40/34/12/1016403412.db2.gz ZRAKXLOLUQAXJL-UHFFFAOYSA-N -1 1 303.333 3.916 20 0 DHADMM CCc1ccc(C(=O)Nc2cc(C3CCCC3)nn2C)c([O-])c1 ZINC000622500085 1016430343 /nfs/dbraw/zinc/43/03/43/1016430343.db2.gz MXCDQZRMSYENJP-UHFFFAOYSA-N -1 1 313.401 3.598 20 0 DHADMM C[C@H](CC(F)(F)F)C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001179868808 1035524857 /nfs/dbraw/zinc/52/48/57/1035524857.db2.gz QEJNOJBASWTNEL-ZCFIWIBFSA-N -1 1 315.213 3.938 20 0 DHADMM CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1ccc(C(=O)[O-])cc1F ZINC000563283310 1016501914 /nfs/dbraw/zinc/50/19/14/1016501914.db2.gz XUCUDMDTIVIRLE-HOTGVXAUSA-N -1 1 323.408 3.549 20 0 DHADMM C[C@H](N(C)C(=O)c1ccc(C(F)(F)F)c([O-])c1)C1(C)CC1 ZINC000684875584 1016766119 /nfs/dbraw/zinc/76/61/19/1016766119.db2.gz KAACMQVLPPZHAT-VIFPVBQESA-N -1 1 301.308 3.672 20 0 DHADMM CCN(Cc1ccc(OC)cc1)C(=O)c1c([O-])cccc1Cl ZINC000763929251 1017023165 /nfs/dbraw/zinc/02/31/65/1017023165.db2.gz IDIDMAXDMZHRED-UHFFFAOYSA-N -1 1 319.788 3.717 20 0 DHADMM CCN(CCc1ccccc1)C(=O)c1c([O-])cccc1Cl ZINC000763951708 1017056006 /nfs/dbraw/zinc/05/60/06/1017056006.db2.gz YANYPIXHQGLCDO-UHFFFAOYSA-N -1 1 303.789 3.750 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(Br)o1 ZINC000082192530 1032166668 /nfs/dbraw/zinc/16/66/68/1032166668.db2.gz ADYZXWYJYZPQPQ-UHFFFAOYSA-N -1 1 316.538 3.653 20 0 DHADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000055112665 1032206227 /nfs/dbraw/zinc/20/62/27/1032206227.db2.gz KWIAIWXBQJOAGO-UHFFFAOYSA-N -1 1 312.369 3.726 20 0 DHADMM O=C(Nc1cnc2c(F)cccc2c1)c1c(F)ccc([O-])c1F ZINC001146499298 1032223909 /nfs/dbraw/zinc/22/39/09/1032223909.db2.gz LYPDSTBYLNVGHU-UHFFFAOYSA-N -1 1 318.254 3.610 20 0 DHADMM O=C(N[C@@H](Cc1ccccc1)C1CC1)c1cc(Cl)ccc1[O-] ZINC001146544199 1032229194 /nfs/dbraw/zinc/22/91/94/1032229194.db2.gz MZOZCBYWRQMKIQ-INIZCTEOSA-N -1 1 315.800 3.797 20 0 DHADMM CC(C)(CNC(=O)c1c([O-])cccc1F)Cc1ccccc1 ZINC001146669328 1032235091 /nfs/dbraw/zinc/23/50/91/1032235091.db2.gz NNHVASZJBNBKMF-UHFFFAOYSA-N -1 1 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[O-]c1ccc(-c2noc(-c3nccc4ccccc43)n2)cc1F ZINC000445485163 1017878413 /nfs/dbraw/zinc/87/84/13/1017878413.db2.gz YMSAWTLNHDHAFU-UHFFFAOYSA-N -1 1 307.284 3.797 20 0 DHADMM CC(C)Cc1nc(-c2nc(-c3ccc([O-])c(F)c3)no2)cs1 ZINC000445483570 1017879561 /nfs/dbraw/zinc/87/95/61/1017879561.db2.gz SLZNUUSJHXVFAK-UHFFFAOYSA-N -1 1 319.361 3.903 20 0 DHADMM CSCc1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000184030621 1018055714 /nfs/dbraw/zinc/05/57/14/1018055714.db2.gz CYRIAMLFCNYSFV-UHFFFAOYSA-N -1 1 321.467 3.967 20 0 DHADMM [O-]c1c(F)cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1F ZINC000446139465 1018069824 /nfs/dbraw/zinc/06/98/24/1018069824.db2.gz OLKAGYRDXJBGDC-UHFFFAOYSA-N -1 1 315.201 3.628 20 0 DHADMM CCCCCC[C@@H](C)CC(=O)Nc1ncc(C(=O)OCC)[n-]1 ZINC001128846541 1018156844 /nfs/dbraw/zinc/15/68/44/1018156844.db2.gz BLXAJVZKFIRIDH-GFCCVEGCSA-N -1 1 309.410 3.522 20 0 DHADMM CCCCCC[C@@H](C)CC(=O)Nc1nc(C(=O)OCC)c[n-]1 ZINC001128846541 1018156853 /nfs/dbraw/zinc/15/68/53/1018156853.db2.gz 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Cc1sc([C@@H](C)NCc2ccc(C)c(C)c2)nc1C(=O)[O-] ZINC000900075036 1018981557 /nfs/dbraw/zinc/98/15/57/1018981557.db2.gz ISTCPLUWTOIVGV-LLVKDONJSA-N -1 1 304.415 3.617 20 0 DHADMM O=S(=O)([N-]c1ccc2c(c1)CCC2)c1cccc(Cl)c1 ZINC000007050597 1019000461 /nfs/dbraw/zinc/00/04/61/1019000461.db2.gz KKSKKKBTMGLKRQ-UHFFFAOYSA-N -1 1 307.802 3.630 20 0 DHADMM CC(C)(CNC(=O)c1ccc(C(F)(F)F)cc1[O-])C1CCC1 ZINC001627758556 1019087493 /nfs/dbraw/zinc/08/74/93/1019087493.db2.gz WVXSXBDOFPYOGV-UHFFFAOYSA-N -1 1 315.335 3.967 20 0 DHADMM CC[C@@]1(C(=O)[O-])CCCN(Cc2csc(CCC(C)C)n2)C1 ZINC000923470133 1019221122 /nfs/dbraw/zinc/22/11/22/1019221122.db2.gz IMBAPVFTVMSQSE-QGZVFWFLSA-N -1 1 324.490 3.809 20 0 DHADMM COc1c(C)ccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1C ZINC000031722677 1019227902 /nfs/dbraw/zinc/22/79/02/1019227902.db2.gz YGLCLBYZTYKALL-UHFFFAOYSA-N -1 1 319.426 3.730 20 0 DHADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000031667785 1019227930 /nfs/dbraw/zinc/22/79/30/1019227930.db2.gz 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CC(C)COc1ccc(C(C)(C)[N-]C(=O)C(F)(F)F)cc1 ZINC000730552244 1020003096 /nfs/dbraw/zinc/00/30/96/1020003096.db2.gz HJNYYDDXYAJIIW-UHFFFAOYSA-N -1 1 303.324 3.635 20 0 DHADMM Cc1noc(C(C)C)c1C(=O)[N-]c1nc(C(C)(C)C)ns1 ZINC000068073603 1020011207 /nfs/dbraw/zinc/01/12/07/1020011207.db2.gz PXQGVQDUPWMNIL-UHFFFAOYSA-N -1 1 308.407 3.508 20 0 DHADMM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000068074910 1020012084 /nfs/dbraw/zinc/01/20/84/1020012084.db2.gz LAOOHECRGGAHDU-UHFFFAOYSA-N -1 1 317.410 3.641 20 0 DHADMM [O-]c1cccc(CNCc2nccc3c2CCCC3)c1Cl ZINC000922465529 1020086139 /nfs/dbraw/zinc/08/61/39/1020086139.db2.gz XFDHHCBECOIZLM-UHFFFAOYSA-N -1 1 302.805 3.609 20 0 DHADMM Cc1nc2ccc(Nc3cc4ccc([O-])cc4oc3=O)cc2o1 ZINC001213064923 1020100065 /nfs/dbraw/zinc/10/00/65/1020100065.db2.gz NZAGILRWRURCHZ-UHFFFAOYSA-N -1 1 308.293 3.692 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1cscc1Br ZINC000671784939 1020168711 /nfs/dbraw/zinc/16/87/11/1020168711.db2.gz LXQSCOSMEQUJIC-UHFFFAOYSA-N -1 1 316.151 3.608 20 0 DHADMM O=c1[n-]c(-c2nnc(-c3ccccc3)o2)nc2ccc(Cl)cc12 ZINC000477656924 1032880606 /nfs/dbraw/zinc/88/06/06/1032880606.db2.gz BWEXDTCFQSYLRT-UHFFFAOYSA-N -1 1 324.727 3.706 20 0 DHADMM O=C(Nc1cccc(COc2ccccc2)c1)c1cncc([O-])c1 ZINC000732275891 1020217979 /nfs/dbraw/zinc/21/79/79/1020217979.db2.gz QTEPZDDKPFDHCD-UHFFFAOYSA-N -1 1 320.348 3.619 20 0 DHADMM CC(C)(C)Sc1ccc(NC(=O)c2cncc([O-])c2)cc1 ZINC000732282644 1020222866 /nfs/dbraw/zinc/22/28/66/1020222866.db2.gz KUDDWVTXFBIGEB-UHFFFAOYSA-N -1 1 302.399 3.930 20 0 DHADMM Cc1cc(C(=O)[N-]c2ccccc2SCC(F)(F)F)on1 ZINC000046633484 1020403421 /nfs/dbraw/zinc/40/34/21/1020403421.db2.gz VBXFBVGVSGZFPA-UHFFFAOYSA-N -1 1 316.304 3.890 20 0 DHADMM CCOc1cc(C(=O)Nc2ccc(O)c(C)c2)cc(Cl)c1[O-] ZINC000186901943 1020546911 /nfs/dbraw/zinc/54/69/11/1020546911.db2.gz WMCFLLIVPJXGAK-UHFFFAOYSA-N -1 1 321.760 3.711 20 0 DHADMM CON(CC(C)(C)C)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000804580983 1032917482 /nfs/dbraw/zinc/91/74/82/1032917482.db2.gz AVUINIXPJAUKPB-UHFFFAOYSA-N -1 1 322.792 3.644 20 0 DHADMM O=C([N-]c1nc(C2CC2)no1)c1cc(Cl)sc1Cl ZINC000734879165 1020670200 /nfs/dbraw/zinc/67/02/00/1020670200.db2.gz WCCNKTWWNSLNCD-UHFFFAOYSA-N -1 1 304.158 3.568 20 0 DHADMM CC(C)c1noc([C@@H](C)O[N-]C(=O)CCC2CCCCC2)n1 ZINC000177624409 1020735344 /nfs/dbraw/zinc/73/53/44/1020735344.db2.gz ONIQFAMVRPSLPQ-GFCCVEGCSA-N -1 1 309.410 3.662 20 0 DHADMM CN(C(=O)c1ccc([O-])c(F)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000685864293 1020874348 /nfs/dbraw/zinc/87/43/48/1020874348.db2.gz OHSNTUNSAAHPHM-PHIMTYICSA-N -1 1 319.298 3.724 20 0 DHADMM O=C(NCc1ccc2sccc2c1)c1ccc([O-])c(F)c1 ZINC000685882030 1020951446 /nfs/dbraw/zinc/95/14/46/1020951446.db2.gz YDVBOQTYHFSJOS-UHFFFAOYSA-N -1 1 301.342 3.676 20 0 DHADMM Cc1ccc(CSCCNC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000613443027 1020960564 /nfs/dbraw/zinc/96/05/64/1020960564.db2.gz YXTKYCXJTPBZDF-UHFFFAOYSA-N -1 1 319.401 3.503 20 0 DHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(C(F)F)c1 ZINC000174699346 1020995019 /nfs/dbraw/zinc/99/50/19/1020995019.db2.gz BZPNLADMEKFJOW-UHFFFAOYSA-N -1 1 315.316 3.873 20 0 DHADMM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000175392345 1021042652 /nfs/dbraw/zinc/04/26/52/1021042652.db2.gz POUXKDDLAZOSPM-VXGBXAGGSA-N -1 1 313.850 3.792 20 0 DHADMM CN1C(=O)c2cc(Cl)ccc2N[C@H]1c1cc(F)c([O-])c(F)c1 ZINC000175926897 1021086519 /nfs/dbraw/zinc/08/65/19/1021086519.db2.gz VSISSXDSFDDGHH-CQSZACIVSA-N -1 1 324.714 3.520 20 0 DHADMM CCOC(=O)c1cnoc1[N-]c1cc(OCC)ccc1Cl ZINC001212574769 1021143827 /nfs/dbraw/zinc/14/38/27/1021143827.db2.gz WERCPIHHSRCIDE-UHFFFAOYSA-N -1 1 310.737 3.647 20 0 DHADMM CCOc1cc(C(=O)Nc2cc(C)ccc2O)cc(Cl)c1[O-] ZINC000186959929 1021154942 /nfs/dbraw/zinc/15/49/42/1021154942.db2.gz LQWCVQKLRHHUBE-UHFFFAOYSA-N -1 1 321.760 3.711 20 0 DHADMM Cc1ccc(OC[C@@H](C)NC(=O)c2c([O-])cccc2Cl)cc1 ZINC000742822868 1021165838 /nfs/dbraw/zinc/16/58/38/1021165838.db2.gz VDPBLOQONRWAAD-GFCCVEGCSA-N -1 1 319.788 3.551 20 0 DHADMM CC(C)(NC(=O)Cc1ccc([O-])c(Cl)c1)c1ccc(F)cc1 ZINC001155451664 1021257819 /nfs/dbraw/zinc/25/78/19/1021257819.db2.gz PMBPPARMLNOODC-UHFFFAOYSA-N -1 1 321.779 3.779 20 0 DHADMM C[C@H](COc1ccccc1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000917773461 1021358531 /nfs/dbraw/zinc/35/85/31/1021358531.db2.gz OMFNJJSNLSXDTB-CQSZACIVSA-N -1 1 321.376 3.743 20 0 DHADMM CCCc1ccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)cc1 ZINC000007055786 1021363822 /nfs/dbraw/zinc/36/38/22/1021363822.db2.gz AVDMWODEAAQUSH-UHFFFAOYSA-N -1 1 317.410 3.643 20 0 DHADMM Cc1ccc(N(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])cc1 ZINC000182028100 1021444580 /nfs/dbraw/zinc/44/45/80/1021444580.db2.gz KYRCPPNKVFOMSC-UHFFFAOYSA-N -1 1 309.287 3.996 20 0 DHADMM C[C@]1(CCNC(=O)c2ccc(C(F)(F)F)c([O-])c2)CC1(F)F ZINC000618635339 1021461922 /nfs/dbraw/zinc/46/19/22/1021461922.db2.gz KGFWQWYDLQCRRD-LBPRGKRZSA-N -1 1 323.261 3.576 20 0 DHADMM C[C@@]1(CCNC(=O)c2ccc(C(F)(F)F)c([O-])c2)CC1(F)F ZINC000618635338 1021462317 /nfs/dbraw/zinc/46/23/17/1021462317.db2.gz KGFWQWYDLQCRRD-GFCCVEGCSA-N -1 1 323.261 3.576 20 0 DHADMM CCc1ccc(-c2nc(CN(C)[C@@H](C)CC(=O)[O-])cs2)cc1 ZINC000659791618 1021528177 /nfs/dbraw/zinc/52/81/77/1021528177.db2.gz DLZSANVBEIZUSM-LBPRGKRZSA-N -1 1 318.442 3.668 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc3ccccc3o2)c1 ZINC000744452641 1021552065 /nfs/dbraw/zinc/55/20/65/1021552065.db2.gz DUEXCOVSQRCVIQ-UHFFFAOYSA-N -1 1 324.332 3.741 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc(C)ccc2C)c1 ZINC000744482015 1021558166 /nfs/dbraw/zinc/55/81/66/1021558166.db2.gz IKHAEDWMGMXJJX-UHFFFAOYSA-N -1 1 312.365 3.611 20 0 DHADMM COCc1ccccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000129743069 1021569742 /nfs/dbraw/zinc/56/97/42/1021569742.db2.gz IHYJDTZKUDFBPK-UHFFFAOYSA-N -1 1 307.349 3.944 20 0 DHADMM CC[C@@](C)(NC(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CC1 ZINC000618959932 1021590333 /nfs/dbraw/zinc/59/03/33/1021590333.db2.gz GRQLJIIXKKFZAV-CQSZACIVSA-N -1 1 301.308 3.720 20 0 DHADMM CCOC(=O)c1cnc(C(C)=Cc2cscc2Cl)[n-]c1=O ZINC000618942941 1021591491 /nfs/dbraw/zinc/59/14/91/1021591491.db2.gz CSTQKYZZUVWKCU-YWEYNIOJSA-N -1 1 324.789 3.634 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C[C@@H](C)CC(C)C)c1 ZINC000744942141 1021626710 /nfs/dbraw/zinc/62/67/10/1021626710.db2.gz QGWKANFQSCGCEI-ZDUSSCGKSA-N -1 1 306.402 3.753 20 0 DHADMM Cc1ccc2c(c1)OCCN2C(=O)c1cc2ccccc2cc1[O-] ZINC000154804036 1021642927 /nfs/dbraw/zinc/64/29/27/1021642927.db2.gz IMOMZTGSONUPSL-UHFFFAOYSA-N -1 1 319.360 3.893 20 0 DHADMM Cc1ccc(CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1C ZINC000613665891 1021667618 /nfs/dbraw/zinc/66/76/18/1021667618.db2.gz PWILPHJHNXWOKK-UHFFFAOYSA-N -1 1 321.380 3.580 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)C1CC(c2ccc(F)cc2)C1 ZINC001625892941 1021944092 /nfs/dbraw/zinc/94/40/92/1021944092.db2.gz BNDCFKMMWRSNTI-UHFFFAOYSA-N -1 1 321.298 3.942 20 0 DHADMM Cc1ccc2c(c1)S[C@@H](C(=O)Nc1cc([O-])c(F)cc1F)C2 ZINC001625893058 1021946438 /nfs/dbraw/zinc/94/64/38/1021946438.db2.gz FBESHURJKCWSDG-OAHLLOKOSA-N -1 1 321.348 3.634 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)c1cnc2ccsc2c1 ZINC001625894286 1022041750 /nfs/dbraw/zinc/04/17/50/1022041750.db2.gz VVSWREJHXKBCBQ-UHFFFAOYSA-N -1 1 306.293 3.532 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC(c2ccon2)CC1 ZINC000620220308 1022092337 /nfs/dbraw/zinc/09/23/37/1022092337.db2.gz ZYLAATYIJMJXDW-UHFFFAOYSA-N -1 1 322.364 3.553 20 0 DHADMM O=C(NCc1c(F)cccc1Cl)c1c([O-])cccc1Cl ZINC000920444251 1022120979 /nfs/dbraw/zinc/12/09/79/1022120979.db2.gz CHRXNFYWWAUSLT-UHFFFAOYSA-N -1 1 314.143 3.768 20 0 DHADMM C[C@H](CNC(=O)c1c(F)ccc([O-])c1F)Sc1ccccc1 ZINC000538313387 1033031215 /nfs/dbraw/zinc/03/12/15/1033031215.db2.gz KTEBSZRKNNCBBD-SNVBAGLBSA-N -1 1 323.364 3.581 20 0 DHADMM Cc1ccc(CCNC(=O)c2c([O-])cccc2Cl)c(C)c1 ZINC000920890141 1022184602 /nfs/dbraw/zinc/18/46/02/1022184602.db2.gz KYSXUNLTZOQBGV-UHFFFAOYSA-N -1 1 303.789 3.635 20 0 DHADMM CCN(CCC(F)(F)F)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876395258 1033037936 /nfs/dbraw/zinc/03/79/36/1033037936.db2.gz YPHQTHHUUNJLAF-UHFFFAOYSA-N -1 1 324.730 3.530 20 0 DHADMM CN(C[C@@H]1CCc2ccccc21)C(=O)c1ccc(Cl)cc1[O-] ZINC000620682006 1022232739 /nfs/dbraw/zinc/23/27/39/1022232739.db2.gz DUCPBPIDOYFMSH-ZDUSSCGKSA-N -1 1 315.800 3.848 20 0 DHADMM O=C(NCCCc1ccc(Cl)cc1)c1ccc([O-])cc1F ZINC000154844395 1022336201 /nfs/dbraw/zinc/33/62/01/1022336201.db2.gz UIMFMJKQJHQUMG-UHFFFAOYSA-N -1 1 307.752 3.547 20 0 DHADMM CCO[C@@H](CC(=O)Nc1cc(F)c([O-])cc1Cl)C(C)C ZINC000885675915 1022445132 /nfs/dbraw/zinc/44/51/32/1022445132.db2.gz FKQINMIKMOYABD-ZDUSSCGKSA-N -1 1 303.761 3.574 20 0 DHADMM CC(=CC(=O)Nc1c(C)[n-][nH]c1=O)C12CC3CC(CC(C3)C1)C2 ZINC000854635926 1022505955 /nfs/dbraw/zinc/50/59/55/1022505955.db2.gz ZKZVPOFUNUWTMZ-XCVCLJGOSA-N -1 1 315.417 3.525 20 0 DHADMM O=C(CC[C@H]1CC1(Cl)Cl)Nc1ccc([O-])c(F)c1F ZINC000854887478 1022540749 /nfs/dbraw/zinc/54/07/49/1022540749.db2.gz ZVTSITJIDFIVRZ-LURJTMIESA-N -1 1 310.127 3.583 20 0 DHADMM CCc1cc(=O)[n-]c(SCc2nc(Cl)ccc2Cl)n1 ZINC000767057114 1022630757 /nfs/dbraw/zinc/63/07/57/1022630757.db2.gz DKMLMCBRNADRMD-UHFFFAOYSA-N -1 1 316.213 3.739 20 0 DHADMM CC[C@H](C)[C@@H]([N-]C(=O)C(F)(F)c1ccccc1)C(F)(F)F ZINC000767109850 1022640506 /nfs/dbraw/zinc/64/05/06/1022640506.db2.gz XVOMLVNVKCKUPY-GXSJLCMTSA-N -1 1 309.278 3.872 20 0 DHADMM C[C@@]1(c2ccccc2)CN(Cc2cccc(Cl)c2[O-])CCO1 ZINC000180203399 1022663191 /nfs/dbraw/zinc/66/31/91/1022663191.db2.gz MJNXVUFRVAEDHI-SFHVURJKSA-N -1 1 317.816 3.793 20 0 DHADMM Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000767294153 1022683847 /nfs/dbraw/zinc/68/38/47/1022683847.db2.gz RONBKUYJAVOJOA-MRXNPFEDSA-N -1 1 316.376 3.627 20 0 DHADMM Cc1cnc(C(=O)N(C)[C@@H]2CCCC[C@@H]2c2ccccc2)c([O-])c1 ZINC000616329529 1022694264 /nfs/dbraw/zinc/69/42/64/1022694264.db2.gz YTSHLBLBQMNFGO-IAGOWNOFSA-N -1 1 324.424 3.894 20 0 DHADMM C[C@@H](C(=O)[N-]OCC1CCC1)c1ccccc1C(F)(F)F ZINC000856350128 1022798842 /nfs/dbraw/zinc/79/88/42/1022798842.db2.gz ZPMUDIDKIWYIJH-SNVBAGLBSA-N -1 1 301.308 3.657 20 0 DHADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000768117285 1022885179 /nfs/dbraw/zinc/88/51/79/1022885179.db2.gz PJXOZEGRTDFWDQ-OAHLLOKOSA-N -1 1 321.298 3.787 20 0 DHADMM C[C@H](NC(=O)c1ccc([O-])c(F)c1)c1nc2ccccc2s1 ZINC000768149389 1022894978 /nfs/dbraw/zinc/89/49/78/1022894978.db2.gz XFXRBRCPWLIUMC-VIFPVBQESA-N -1 1 316.357 3.632 20 0 DHADMM C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccc2c(c1)OCO2 ZINC000190735756 1022929775 /nfs/dbraw/zinc/92/97/75/1022929775.db2.gz SQRJBWSUJRQEKD-VIFPVBQESA-N -1 1 323.751 3.764 20 0 DHADMM O=C(N[C@H]1CCOC2(CCCCC2)C1)c1c([O-])cccc1Cl ZINC000768373985 1022954598 /nfs/dbraw/zinc/95/45/98/1022954598.db2.gz HLYCGRLGMFDEBK-LBPRGKRZSA-N -1 1 323.820 3.657 20 0 DHADMM CCSc1cccc(F)c1[N-]C(=O)c1cnn(C)c1Cl ZINC001129388951 1022963105 /nfs/dbraw/zinc/96/31/05/1022963105.db2.gz HQUDTQHJGCASFG-UHFFFAOYSA-N -1 1 313.785 3.577 20 0 DHADMM CSC[C@H]1CCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000294581432 1022984028 /nfs/dbraw/zinc/98/40/28/1022984028.db2.gz HRZLRVJWHHFWHO-ZDUSSCGKSA-N -1 1 315.438 3.761 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2ccc(OC(F)F)cn2)c([O-])c1 ZINC000857511313 1023026084 /nfs/dbraw/zinc/02/60/84/1023026084.db2.gz JIJPOPPLHHDYFS-UHFFFAOYSA-N -1 1 322.311 3.764 20 0 DHADMM Cc1cc(C)nc([N-]S(=O)(=O)/C=C\c2cccc(Cl)c2)c1 ZINC000768864102 1023051824 /nfs/dbraw/zinc/05/18/24/1023051824.db2.gz LTQBRVVUTVACAH-SREVYHEPSA-N -1 1 322.817 3.764 20 0 DHADMM COCc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000194250248 1023160739 /nfs/dbraw/zinc/16/07/39/1023160739.db2.gz BCCDEWZDAYRLJL-UHFFFAOYSA-N -1 1 319.426 3.757 20 0 DHADMM CCC(CC)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000769597608 1023183712 /nfs/dbraw/zinc/18/37/12/1023183712.db2.gz LGVFYFDJYUXEJM-UHFFFAOYSA-N -1 1 322.405 3.658 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@@H]1Cc1ccccc1 ZINC000769636685 1023184364 /nfs/dbraw/zinc/18/43/64/1023184364.db2.gz FUDWWZUBAZONDF-CQSZACIVSA-N -1 1 315.800 3.893 20 0 DHADMM COc1ccc([C@@H](C)N(C)C(=O)c2c([O-])cccc2Cl)cc1 ZINC000769649950 1023190798 /nfs/dbraw/zinc/19/07/98/1023190798.db2.gz AAFYGXMCLFYPIS-LLVKDONJSA-N -1 1 319.788 3.887 20 0 DHADMM CCCCN(CC(F)(F)F)C(=O)c1c([O-])cccc1Cl ZINC000769716245 1023198766 /nfs/dbraw/zinc/19/87/66/1023198766.db2.gz IMKSWQYRFMOARF-UHFFFAOYSA-N -1 1 309.715 3.850 20 0 DHADMM C[C@H]1c2ccccc2CCN1C(=O)c1c([O-])cccc1Cl ZINC000769774459 1023205052 /nfs/dbraw/zinc/20/50/52/1023205052.db2.gz AEWHUJXKLSKGSH-NSHDSACASA-N -1 1 301.773 3.805 20 0 DHADMM CCOc1cc(-c2noc(/C=C/SC)n2)cc(Cl)c1[O-] ZINC000771109430 1023397843 /nfs/dbraw/zinc/39/78/43/1023397843.db2.gz PNLLBIGLTNXGNX-SNAWJCMRSA-N -1 1 312.778 3.828 20 0 DHADMM [O-]c1ccc(-c2noc(CCCc3ccsc3)n2)c(F)c1 ZINC000771200111 1023404086 /nfs/dbraw/zinc/40/40/86/1023404086.db2.gz UOGRTJZBOIONJT-UHFFFAOYSA-N -1 1 304.346 3.818 20 0 DHADMM [O-]c1ccc(-c2noc(CCCc3ccsc3)n2)cc1F ZINC000771220913 1023412789 /nfs/dbraw/zinc/41/27/89/1023412789.db2.gz FJNPUSPPCBENMD-UHFFFAOYSA-N -1 1 304.346 3.818 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C2(C)CCCCC2)c1 ZINC000781269731 1023469426 /nfs/dbraw/zinc/46/94/26/1023469426.db2.gz YEJXUJOUPNTWNH-UHFFFAOYSA-N -1 1 304.386 3.651 20 0 DHADMM Cc1cnc(COC(=O)c2ccc(Cl)c(Cl)c2[O-])s1 ZINC000771958629 1023493820 /nfs/dbraw/zinc/49/38/20/1023493820.db2.gz NWPKOLWAQWENKC-UHFFFAOYSA-N -1 1 318.181 3.821 20 0 DHADMM C[C@@H]1c2ccccc2CN1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000746668718 1023783324 /nfs/dbraw/zinc/78/33/24/1023783324.db2.gz APEGUHGSFRIJQO-GFCCVEGCSA-N -1 1 307.349 3.575 20 0 DHADMM O=C(OCc1ccccc1)c1ccc(Br)c([O-])c1 ZINC000750549527 1023800030 /nfs/dbraw/zinc/80/00/30/1023800030.db2.gz AETACPZUTSGGKA-UHFFFAOYSA-N -1 1 307.143 3.512 20 0 DHADMM Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1 ZINC000048653619 1023802731 /nfs/dbraw/zinc/80/27/31/1023802731.db2.gz WXUZEAIIGCHHAO-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM COC(C)(C)CCOC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000787696241 1023811646 /nfs/dbraw/zinc/81/16/46/1023811646.db2.gz OKFDLFKHFCICNR-UHFFFAOYSA-N -1 1 307.173 3.671 20 0 DHADMM CC(C)CCN(C)Cc1c(Br)cccc1C(=O)[O-] ZINC000652388574 1023836904 /nfs/dbraw/zinc/83/69/04/1023836904.db2.gz DFNPPVVOXKJKKY-UHFFFAOYSA-N -1 1 314.223 3.625 20 0 DHADMM C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)Cc1nc(C(=O)[O-])co1 ZINC000652429509 1023857232 /nfs/dbraw/zinc/85/72/32/1023857232.db2.gz VNHOZSWKBNZUEA-WDEREUQCSA-N -1 1 322.792 3.650 20 0 DHADMM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)Cc1nc(C(=O)[O-])co1 ZINC000652429509 1023857237 /nfs/dbraw/zinc/85/72/37/1023857237.db2.gz VNHOZSWKBNZUEA-WDEREUQCSA-N -1 1 322.792 3.650 20 0 DHADMM C[C@H](c1cccc(Cl)c1)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000251589099 1023925380 /nfs/dbraw/zinc/92/53/80/1023925380.db2.gz XIABWVOZSQHTEL-RNCFNFMXSA-N -1 1 321.726 3.740 20 0 DHADMM COc1cccc(NN=Cc2cccc(Br)c2[O-])c1 ZINC000254352248 1023953004 /nfs/dbraw/zinc/95/30/04/1023953004.db2.gz PMIPVTUVXOELPQ-UHFFFAOYSA-N -1 1 321.174 3.609 20 0 DHADMM CC1(C)CCC[C@H](CSc2nc(C(F)F)cc(=O)[n-]2)O1 ZINC000882170281 1023983231 /nfs/dbraw/zinc/98/32/31/1023983231.db2.gz NYLQEPZFVXCPMP-MRVPVSSYSA-N -1 1 304.362 3.560 20 0 DHADMM CCc1nc(SCC[C@H]2CCCC2(F)F)[n-]c(=O)c1C ZINC000882177061 1023985512 /nfs/dbraw/zinc/98/55/12/1023985512.db2.gz HLCBUVAMVALPKI-SNVBAGLBSA-N -1 1 302.390 3.971 20 0 DHADMM Cc1ccc(C2(CNC(=O)c3ccc([O-])cc3F)CC2)c(C)c1 ZINC000452313462 1024055421 /nfs/dbraw/zinc/05/54/21/1024055421.db2.gz OVEYNEYAURINNH-UHFFFAOYSA-N -1 1 313.372 3.610 20 0 DHADMM CCN(CCC(F)(F)F)C(=O)c1cc2ccccc2cc1[O-] ZINC000623059924 1024057254 /nfs/dbraw/zinc/05/72/54/1024057254.db2.gz YLMJMAJZHIHHQM-UHFFFAOYSA-N -1 1 311.303 3.960 20 0 DHADMM CSc1cccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)c1 ZINC000337797242 1033181608 /nfs/dbraw/zinc/18/16/08/1033181608.db2.gz DVIRSAJCSORJGW-UHFFFAOYSA-N -1 1 319.407 3.956 20 0 DHADMM CC12CC(C1)CN2[C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000663315888 1024090804 /nfs/dbraw/zinc/09/08/04/1024090804.db2.gz PNOZCUVCYWIMLR-ZAQGZADTSA-N -1 1 300.185 3.603 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cc2cccc(F)c2o1 ZINC000790047376 1024213432 /nfs/dbraw/zinc/21/34/32/1024213432.db2.gz KMTMWBJSPDVGHC-UHFFFAOYSA-N -1 1 306.680 3.578 20 0 DHADMM Cc1cc(C=O)c([O-])c(C(=O)N2CC[C@H](c3ccccc3)[C@H]2C)c1 ZINC001137188185 1024406792 /nfs/dbraw/zinc/40/67/92/1024406792.db2.gz REGUINLDHFJJGM-PBHICJAKSA-N -1 1 323.392 3.531 20 0 DHADMM O=C(Cc1cccc(C(F)F)c1)Nc1nc(Cl)ccc1[O-] ZINC000791145148 1024445217 /nfs/dbraw/zinc/44/52/17/1024445217.db2.gz GZUPZZOYYPTRKK-UHFFFAOYSA-N -1 1 312.703 3.559 20 0 DHADMM CN(C)c1cc(F)cc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC001626120643 1024476886 /nfs/dbraw/zinc/47/68/86/1024476886.db2.gz LGFPDOJCRRUXDF-UHFFFAOYSA-N -1 1 323.755 3.895 20 0 DHADMM CCOc1cccc2cc([C@H](C)[N-]c3nnc(C(F)F)o3)oc21 ZINC000432331153 1024485504 /nfs/dbraw/zinc/48/55/04/1024485504.db2.gz JMZPTCHDEKYLQT-QMMMGPOBSA-N -1 1 323.299 4.325 20 0 DHADMM O=C(Cn1ccc2ccccc21)Nc1ccc([O-])c(Cl)c1 ZINC000111666469 1024547142 /nfs/dbraw/zinc/54/71/42/1024547142.db2.gz CANMBAACWSQRDA-UHFFFAOYSA-N -1 1 300.745 3.639 20 0 DHADMM O=C(CCC(=O)c1ccccc1)Nc1ccc([O-])c(Cl)c1 ZINC000111667454 1024549390 /nfs/dbraw/zinc/54/93/90/1024549390.db2.gz KPGSBVNYTCQKQG-UHFFFAOYSA-N -1 1 303.745 3.647 20 0 DHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc2c(c1)CCC2 ZINC000339127701 1024571263 /nfs/dbraw/zinc/57/12/63/1024571263.db2.gz LHRZOQJZSRNAIY-UHFFFAOYSA-N -1 1 319.364 3.523 20 0 DHADMM O=C(CCCc1ccccc1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000339133249 1024574045 /nfs/dbraw/zinc/57/40/45/1024574045.db2.gz MZKJLGHGMLDWQD-UHFFFAOYSA-N -1 1 321.380 3.744 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1cccc(C(F)(F)F)c1F ZINC000532267239 1024591678 /nfs/dbraw/zinc/59/16/78/1024591678.db2.gz AEVGKXKEMBAQNA-UHFFFAOYSA-N -1 1 317.213 3.942 20 0 DHADMM O=C(CCc1cnc2ccccc2c1)Nc1ccc(F)cc1[O-] ZINC000350701411 1024839749 /nfs/dbraw/zinc/83/97/49/1024839749.db2.gz NMESZJUQMXYMMS-UHFFFAOYSA-N -1 1 310.328 3.651 20 0 DHADMM CC(C)S(=O)(=O)c1cccc(-c2cc(F)cc(F)c2[O-])c1 ZINC001243505407 1024877189 /nfs/dbraw/zinc/87/71/89/1024877189.db2.gz RGPIBGPRJAYHLA-UHFFFAOYSA-N -1 1 312.337 3.520 20 0 DHADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2cccc(Cl)c2Cl)C1 ZINC000263316960 1024918267 /nfs/dbraw/zinc/91/82/67/1024918267.db2.gz IWFPNUOISONLGS-MWLCHTKSSA-N -1 1 302.201 3.536 20 0 DHADMM Cc1cc(F)ccc1-c1ccc(CN2CCCC[C@@H]2C(=O)[O-])o1 ZINC000263417605 1024984692 /nfs/dbraw/zinc/98/46/92/1024984692.db2.gz NWACDXFZIJXKBT-MRXNPFEDSA-N -1 1 317.360 3.833 20 0 DHADMM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc2ncccc2c1 ZINC000353653206 1025177123 /nfs/dbraw/zinc/17/71/23/1025177123.db2.gz ANNPYJAYZHIXNT-UHFFFAOYSA-N -1 1 318.785 3.689 20 0 DHADMM C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000227584002 1025254202 /nfs/dbraw/zinc/25/42/02/1025254202.db2.gz DQALROWSFQCJEL-NGZCFLSTSA-N -1 1 302.201 3.849 20 0 DHADMM CCCCCC[C@@H](C)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129639967 1025367795 /nfs/dbraw/zinc/36/77/95/1025367795.db2.gz VSJUSTHAWDFRGH-GFCCVEGCSA-N -1 1 305.422 3.606 20 0 DHADMM Cc1oc(C(C)C)nc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885677878 1025379760 /nfs/dbraw/zinc/37/97/60/1025379760.db2.gz BTXZTNCFQYZSIH-UHFFFAOYSA-N -1 1 312.728 3.857 20 0 DHADMM O=C(C[C@H]1CCCC1(F)F)Nc1cc(F)c([O-])cc1Cl ZINC000885682517 1025382340 /nfs/dbraw/zinc/38/23/40/1025382340.db2.gz QTKHIGMIEFTSPV-SSDOTTSWSA-N -1 1 307.699 3.949 20 0 DHADMM Cc1cnc(C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)c([O-])c1 ZINC000426631497 1025389452 /nfs/dbraw/zinc/38/94/52/1025389452.db2.gz YFPMENOKEDTQMG-CQSZACIVSA-N -1 1 316.788 3.726 20 0 DHADMM CC1(C)CCCC[C@@H]1CC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129759439 1025409465 /nfs/dbraw/zinc/40/94/65/1025409465.db2.gz NPLUPRKOXOMOEE-GFCCVEGCSA-N -1 1 317.433 3.606 20 0 DHADMM CCN(C(=O)c1ccc(Br)cc1[O-])C1CCCC1 ZINC000044490692 1025472490 /nfs/dbraw/zinc/47/24/90/1025472490.db2.gz NOCHPNQPFSEINS-UHFFFAOYSA-N -1 1 312.207 3.559 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])NC12CC3CC(CC(C3)C1)C2 ZINC000168414826 1025608570 /nfs/dbraw/zinc/60/85/70/1025608570.db2.gz UFYXKZJEHYFEQL-UHFFFAOYSA-N -1 1 304.365 3.622 20 0 DHADMM Cc1nocc1[N-]C(=O)c1csc(-c2c(F)cccc2F)n1 ZINC001130356889 1025668614 /nfs/dbraw/zinc/66/86/14/1025668614.db2.gz HNUHHKADLGYERJ-UHFFFAOYSA-N -1 1 321.308 3.637 20 0 DHADMM CCOc1cc(C(=O)NC2C(C)(C)C2(C)C)cc(Cl)c1[O-] ZINC001137231722 1025995418 /nfs/dbraw/zinc/99/54/18/1025995418.db2.gz YUVWNMMCYUHRMV-UHFFFAOYSA-N -1 1 311.809 3.609 20 0 DHADMM Cc1c(=O)[n-]c(SCOC2CCC2)nc1-c1ccccc1 ZINC000289772137 1026167525 /nfs/dbraw/zinc/16/75/25/1026167525.db2.gz WHNXPIIULJGWKH-UHFFFAOYSA-N -1 1 302.399 3.776 20 0 DHADMM O=C(N[C@@H]1CC[C@H](c2cccc(F)c2)C1)c1ccc([O-])cc1F ZINC000280232875 1026618480 /nfs/dbraw/zinc/61/84/80/1026618480.db2.gz OLWFUVHLUNEJRV-GXTWGEPZSA-N -1 1 317.335 3.737 20 0 DHADMM CSCCc1ccccc1NC(=O)c1ccc([O-])c(F)c1 ZINC001170592262 1026653852 /nfs/dbraw/zinc/65/38/52/1026653852.db2.gz MBWMJVXRANZWEQ-UHFFFAOYSA-N -1 1 305.374 3.689 20 0 DHADMM COC(=O)c1c(F)cc(F)cc1-c1c(Cl)ccc([O-])c1F ZINC001244541888 1026770597 /nfs/dbraw/zinc/77/05/97/1026770597.db2.gz JKZLBEJQDODXQI-UHFFFAOYSA-N -1 1 316.662 3.917 20 0 DHADMM CC(C)c1cccnc1[N-]S(=O)(=O)CCC1CCCCC1 ZINC000573176753 1027270096 /nfs/dbraw/zinc/27/00/96/1027270096.db2.gz LSLLNEVCUZFIMR-UHFFFAOYSA-N -1 1 310.463 3.917 20 0 DHADMM C[C@H]1C[C@H](c2cccc(F)c2)N(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000573379524 1027286365 /nfs/dbraw/zinc/28/63/65/1027286365.db2.gz KQTYIOHWVPRWDB-YVEFUNNKSA-N -1 1 314.360 3.502 20 0 DHADMM C[C@@]1(C(=O)[O-])CCCN(Cc2csc(C3CCCCC3)n2)C1 ZINC000574164496 1027368597 /nfs/dbraw/zinc/36/85/97/1027368597.db2.gz LQMIAXWMCCKTGO-QGZVFWFLSA-N -1 1 322.474 3.878 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@](F)(c2ccccc2)C1 ZINC000575763895 1027498907 /nfs/dbraw/zinc/49/89/07/1027498907.db2.gz BVBHQHBHLIVICA-QGZVFWFLSA-N -1 1 319.763 3.757 20 0 DHADMM [O-]c1ccc(-c2noc(/C=C\C3CCOCC3)n2)c(Cl)c1 ZINC000576577722 1027635100 /nfs/dbraw/zinc/63/51/00/1027635100.db2.gz GJIFVELGLKGSJL-RJRFIUFISA-N -1 1 306.749 3.535 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CN1CCC[C@H]1c1ccc(F)cc1 ZINC000576643578 1027643220 /nfs/dbraw/zinc/64/32/20/1027643220.db2.gz XAYNKTPFTFSWAQ-HNNXBMFYSA-N -1 1 303.333 3.762 20 0 DHADMM Cc1cccc(NC(=O)c2ccc([O-])c(F)c2)c1Br ZINC000813520963 1027657105 /nfs/dbraw/zinc/65/71/05/1027657105.db2.gz NCPKFIHKPDMBDP-UHFFFAOYSA-N -1 1 324.149 3.855 20 0 DHADMM Cc1noc(C2CC2)c1[N-]C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000159049527 1027703671 /nfs/dbraw/zinc/70/36/71/1027703671.db2.gz DWXAPJFLWPLDLM-UHFFFAOYSA-N -1 1 321.720 3.674 20 0 DHADMM O=c1cc(CN2C[C@H]3CCCC[C@H]32)c2cc(Cl)c([O-])cc2o1 ZINC000368093722 1028298084 /nfs/dbraw/zinc/29/80/84/1028298084.db2.gz TYGRGAVTUMIVLZ-QMTHXVAHSA-N -1 1 319.788 3.526 20 0 DHADMM O=C(NCc1ccc(Cl)cc1F)c1c([O-])cccc1Cl ZINC000779116939 1028301726 /nfs/dbraw/zinc/30/17/26/1028301726.db2.gz OCSFACFBITWPEQ-UHFFFAOYSA-N -1 1 314.143 3.768 20 0 DHADMM O=c1cc(C(F)F)nc(SCc2ccc3ncccc3c2)[n-]1 ZINC000579411102 1028404385 /nfs/dbraw/zinc/40/43/85/1028404385.db2.gz KWUNCQOOKRQBDQ-UHFFFAOYSA-N -1 1 319.336 3.960 20 0 DHADMM CC1(/C=C\c2nc(-c3ccc([O-])cc3Cl)no2)CCOCC1 ZINC000579437441 1028408996 /nfs/dbraw/zinc/40/89/96/1028408996.db2.gz NGBFXSMZDRRTRW-PLNGDYQASA-N -1 1 320.776 3.926 20 0 DHADMM Cc1cc2c(ncnc2SCC(=O)c2ccc([O-])cc2)s1 ZINC000579433161 1028409010 /nfs/dbraw/zinc/40/90/10/1028409010.db2.gz FZTUDKSELAGJOW-UHFFFAOYSA-N -1 1 316.407 3.680 20 0 DHADMM FC(F)SCc1ccc(C[N-]c2nnc(C(F)F)o2)o1 ZINC000189291091 1028565528 /nfs/dbraw/zinc/56/55/28/1028565528.db2.gz VAICZYJCRRKJDP-UHFFFAOYSA-N -1 1 311.260 3.668 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@H]2[C@@H](C(F)(F)F)[C@H]21 ZINC000371094838 1028667205 /nfs/dbraw/zinc/66/72/05/1028667205.db2.gz RSYUNWQSMBMINJ-GLQYFDAESA-N -1 1 321.298 3.568 20 0 DHADMM O=C([O-])[C@H](c1ccsc1)N1CCc2cc(Cl)ccc2C1 ZINC000566358073 1028708120 /nfs/dbraw/zinc/70/81/20/1028708120.db2.gz CXFVGDFMRGYCNS-AWEZNQCLSA-N -1 1 307.802 3.586 20 0 DHADMM Cc1nc(C(C)C)ccc1CN(C)Cc1ccc(C(=O)[O-])cc1 ZINC000566803649 1028784673 /nfs/dbraw/zinc/78/46/73/1028784673.db2.gz ZSABXAHUTZDJAM-UHFFFAOYSA-N -1 1 312.413 3.844 20 0 DHADMM Cc1nc(C(C)C)ccc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000816427118 1028863388 /nfs/dbraw/zinc/86/33/88/1028863388.db2.gz KSXAEJTVVPBJDZ-UHFFFAOYSA-N -1 1 305.765 3.520 20 0 DHADMM COCOc1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC000816433792 1028870601 /nfs/dbraw/zinc/87/06/01/1028870601.db2.gz ZIPDLDALMBJMOU-UHFFFAOYSA-N -1 1 315.369 3.751 20 0 DHADMM Cc1ccc(C)c([C@H]2CN(CCCCCC(=O)[O-])[C@H](C)CO2)c1 ZINC000568065830 1029004264 /nfs/dbraw/zinc/00/42/64/1029004264.db2.gz IFIBEXJCHNASGJ-SJLPKXTDSA-N -1 1 319.445 3.710 20 0 DHADMM CCOc1cc(/C=C(/C#N)c2ccccn2)cc(Cl)c1[O-] ZINC000043078827 1029139327 /nfs/dbraw/zinc/13/93/27/1029139327.db2.gz VLIYNLZXYSXIPB-GHXNOFRVSA-N -1 1 300.745 3.903 20 0 DHADMM C[C@H](C(=O)[N-]OCCC1CC1)c1ccccc1C(F)(F)F ZINC000817383383 1029140018 /nfs/dbraw/zinc/14/00/18/1029140018.db2.gz KXLNBPJEPRDHGV-JTQLQIEISA-N -1 1 301.308 3.657 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CN1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000568992515 1029158528 /nfs/dbraw/zinc/15/85/28/1029158528.db2.gz NISJEALJROQAKL-LBPRGKRZSA-N -1 1 319.323 3.697 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000628961276 1029195422 /nfs/dbraw/zinc/19/54/22/1029195422.db2.gz ZKPPPCOKPKPVSX-BDAKNGLRSA-N -1 1 305.271 3.839 20 0 DHADMM O=S(=O)([N-]c1cccc(F)c1)c1cccc(C(F)F)c1 ZINC000780362435 1029227910 /nfs/dbraw/zinc/22/79/10/1029227910.db2.gz CHJIPODYSKZUPJ-UHFFFAOYSA-N -1 1 301.289 3.564 20 0 DHADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H](c2ccccc2)C(C)C)c1 ZINC001135978248 1029233584 /nfs/dbraw/zinc/23/35/84/1029233584.db2.gz LAKRKCMPZPOEOW-QGZVFWFLSA-N -1 1 311.381 3.640 20 0 DHADMM CCc1nc(SCc2ccccc2OC2CC2)[n-]c(=O)c1C ZINC000629184876 1029267519 /nfs/dbraw/zinc/26/75/19/1029267519.db2.gz UHYCKRXJTGMYMR-UHFFFAOYSA-N -1 1 316.426 3.887 20 0 DHADMM COc1cccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c1C ZINC000629317010 1029302327 /nfs/dbraw/zinc/30/23/27/1029302327.db2.gz WLGIBYQLZQFLRQ-UHFFFAOYSA-N -1 1 323.389 3.560 20 0 DHADMM CC1=C(C)C[C@@H](C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CC1 ZINC000629379574 1029319119 /nfs/dbraw/zinc/31/91/19/1029319119.db2.gz FIDWRTMRTIJXIL-AWEZNQCLSA-N -1 1 311.385 3.653 20 0 DHADMM CC[C@](C)(OC)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529539820 1029379824 /nfs/dbraw/zinc/37/98/24/1029379824.db2.gz VMQUUBFNKIYWMM-INIZCTEOSA-N -1 1 307.777 3.952 20 0 DHADMM C[C@@H]1C[C@@H](C)[C@@H](C(=O)Nc2cc(Cl)c([O-])c3ccccc23)O1 ZINC000529540344 1029380552 /nfs/dbraw/zinc/38/05/52/1029380552.db2.gz YPEZYCOJUJUKRW-LYGAQUJYSA-N -1 1 319.788 3.951 20 0 DHADMM C[C@H]1C[C@H](CC(=O)Nc2n[n-]c(C(F)(F)F)n2)CC(C)(C)C1 ZINC000303133975 1029592607 /nfs/dbraw/zinc/59/26/07/1029592607.db2.gz CLCVKLSTHXEHGV-DTWKUNHWSA-N -1 1 318.343 3.615 20 0 DHADMM C[C@@H]1C[C@H](CC(=O)Nc2n[n-]c(C(F)(F)F)n2)CC(C)(C)C1 ZINC000303133980 1029593934 /nfs/dbraw/zinc/59/39/34/1029593934.db2.gz CLCVKLSTHXEHGV-RKDXNWHRSA-N -1 1 318.343 3.615 20 0 DHADMM CCC(C)(C)CC(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000450701636 1029622510 /nfs/dbraw/zinc/62/25/10/1029622510.db2.gz WZFJGCGUTMGMRA-UHFFFAOYSA-N -1 1 322.796 3.596 20 0 DHADMM CCC(C)(C)CC(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000450701636 1029622516 /nfs/dbraw/zinc/62/25/16/1029622516.db2.gz WZFJGCGUTMGMRA-UHFFFAOYSA-N -1 1 322.796 3.596 20 0 DHADMM O=C(C[C@@H](c1ccc(O)cc1)C1CC1)Nc1cccc(F)c1[O-] ZINC000530003621 1029709124 /nfs/dbraw/zinc/70/91/24/1029709124.db2.gz CFPBNJSGYGFJGO-CQSZACIVSA-N -1 1 315.344 3.759 20 0 DHADMM COc1cnc(C=Cc2cc(C)c(OC(F)F)c(C)c2)[n-]c1=O ZINC000821008917 1029804322 /nfs/dbraw/zinc/80/43/22/1029804322.db2.gz UMVCBMNUIUJYSV-PLNGDYQASA-N -1 1 322.311 3.579 20 0 DHADMM Cc1ccccc1C[C@H](C)NC(=O)c1cc(Cl)ccc1[O-] ZINC001136512258 1029886829 /nfs/dbraw/zinc/88/68/29/1029886829.db2.gz VZJMOVKEYKKNBE-LBPRGKRZSA-N -1 1 303.789 3.715 20 0 DHADMM CC(C)Cc1ncc(C(=O)Nc2ccc([O-])c(F)c2F)s1 ZINC000821970715 1029906882 /nfs/dbraw/zinc/90/68/82/1029906882.db2.gz QKTSLGJORARKOY-UHFFFAOYSA-N -1 1 312.341 3.578 20 0 DHADMM O=C(Nc1cc(-n2cccc2)ccc1F)c1cccc([O-])c1F ZINC001136537485 1029937007 /nfs/dbraw/zinc/93/70/07/1029937007.db2.gz LGTYAKJRPBIWOJ-UHFFFAOYSA-N -1 1 314.291 3.713 20 0 DHADMM C[C@H]1CC=CC[C@@H]1C(=O)Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000357336823 1030003636 /nfs/dbraw/zinc/00/36/36/1030003636.db2.gz MNAXWSKELXMDFQ-AAEUAGOBSA-N -1 1 322.368 3.759 20 0 DHADMM COc1cc(C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1[O-] ZINC000357706426 1030160324 /nfs/dbraw/zinc/16/03/24/1030160324.db2.gz OWJJBOZLCYPFQJ-SNVBAGLBSA-N -1 1 305.761 3.545 20 0 DHADMM O=S(=O)([N-]C1CCCCCCC1)c1ccc(C(F)F)o1 ZINC000866381599 1030266710 /nfs/dbraw/zinc/26/67/10/1030266710.db2.gz NMZATSRDQLVHFQ-UHFFFAOYSA-N -1 1 307.362 3.608 20 0 DHADMM CCOc1cc(C(=O)N2CC(C)(C)[C@@H]2C2CC2)cc(Cl)c1[O-] ZINC000291880370 1030681322 /nfs/dbraw/zinc/68/13/22/1030681322.db2.gz IMMHYXYTGRIFFQ-HNNXBMFYSA-N -1 1 323.820 3.705 20 0 DHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@H](C)CC2CC2)c1 ZINC000825010909 1030685891 /nfs/dbraw/zinc/68/58/91/1030685891.db2.gz BLAKFFMAMUTVRR-LLVKDONJSA-N -1 1 314.351 3.774 20 0 DHADMM O=C([N-]c1nncs1)c1occc1CSc1ccccc1 ZINC000247494550 1030692566 /nfs/dbraw/zinc/69/25/66/1030692566.db2.gz NRMRBDKVJSSNDJ-UHFFFAOYSA-N -1 1 317.395 3.676 20 0 DHADMM CC(C)[C@H](F)C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000843886271 1030881098 /nfs/dbraw/zinc/88/10/98/1030881098.db2.gz OJTTWPLCLCJJRA-VIFPVBQESA-N -1 1 324.577 3.741 20 0 DHADMM C[C@H](c1cccs1)N(C)C(=O)c1ncc2ccccc2c1[O-] ZINC001625982193 1030896633 /nfs/dbraw/zinc/89/66/33/1030896633.db2.gz CYPMRDSSPCZPRZ-LLVKDONJSA-N -1 1 312.394 3.835 20 0 DHADMM CCC[C@@H](Cc1ccccc1)NC(=O)c1cccc([O-])c1F ZINC001143696695 1030909033 /nfs/dbraw/zinc/90/90/33/1030909033.db2.gz MWKRASCCXHGONC-AWEZNQCLSA-N -1 1 301.361 3.673 20 0 DHADMM CCCCc1cc(NC(=O)c2ccc3ccccc3c2[O-])n[nH]1 ZINC001143793847 1030972607 /nfs/dbraw/zinc/97/26/07/1030972607.db2.gz KFAVROVYJLUUOE-UHFFFAOYSA-N -1 1 309.369 3.863 20 0 DHADMM C[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000263415517 1031192814 /nfs/dbraw/zinc/19/28/14/1031192814.db2.gz NCJOPWOGZHKBIP-JTQLQIEISA-N -1 1 309.818 3.973 20 0 DHADMM C[C@@H](C(=O)[O-])N(C)Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000263415517 1031192820 /nfs/dbraw/zinc/19/28/20/1031192820.db2.gz NCJOPWOGZHKBIP-JTQLQIEISA-N -1 1 309.818 3.973 20 0 DHADMM Cc1noc(C(C)C)c1[N-]C(=O)c1cc(Br)co1 ZINC000928783210 1031379081 /nfs/dbraw/zinc/37/90/81/1031379081.db2.gz YGVGFDYJINYRHN-UHFFFAOYSA-N -1 1 313.151 3.714 20 0 DHADMM CCc1[n-]n(-c2ncnc(Cl)c2C(C)C)c(=O)c1C(C)C ZINC000871957521 1031387167 /nfs/dbraw/zinc/38/71/67/1031387167.db2.gz WBZGJXKFLCRRNI-NSHDSACASA-N -1 1 308.813 3.638 20 0 DHADMM Cc1nc(C2(NCc3cccc([O-])c3Cl)CCCCC2)no1 ZINC000293639453 1031550200 /nfs/dbraw/zinc/55/02/00/1031550200.db2.gz RPOWXXZYYFJWMF-UHFFFAOYSA-N -1 1 321.808 3.686 20 0 DHADMM CC1(C)CN(C(=O)c2cc(Cl)ccc2[O-])[C@H]1c1cccnc1 ZINC000293646131 1031555831 /nfs/dbraw/zinc/55/58/31/1031555831.db2.gz DSLIIPQYNMKGEI-HNNXBMFYSA-N -1 1 316.788 3.664 20 0 DHADMM Cc1ccc([C@H](C)C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001144455216 1031611371 /nfs/dbraw/zinc/61/13/71/1031611371.db2.gz PZIXXLZRZAXNDS-AWEZNQCLSA-N -1 1 321.380 3.629 20 0 DHADMM CC1(C)CN(C(=O)c2cc(Cl)ccc2[O-])[C@H]1c1ccncc1 ZINC000293813641 1031635781 /nfs/dbraw/zinc/63/57/81/1031635781.db2.gz HBAKOLQOQMHIGS-HNNXBMFYSA-N -1 1 316.788 3.664 20 0 DHADMM O=C(NCc1nc2ccccc2s1)c1cc(Cl)ccc1[O-] ZINC000036063485 1031736066 /nfs/dbraw/zinc/73/60/66/1031736066.db2.gz DYZFBRVPDZUVLD-UHFFFAOYSA-N -1 1 318.785 3.585 20 0 DHADMM CC1(C)CCc2onc(CNCc3cccc([O-])c3Cl)c2C1 ZINC000873174750 1031739162 /nfs/dbraw/zinc/73/91/62/1031739162.db2.gz NAPSROJHRNGHST-UHFFFAOYSA-N -1 1 320.820 3.838 20 0 DHADMM CCC[C@H](C)N(C)C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC000930221101 1031743395 /nfs/dbraw/zinc/74/33/95/1031743395.db2.gz GLDWJEIXAACDHF-LBPRGKRZSA-N -1 1 315.369 3.725 20 0 DHADMM CC(C)c1nc(CN(C)Cc2cc(F)c([O-])cc2F)cs1 ZINC001144657960 1031800771 /nfs/dbraw/zinc/80/07/71/1031800771.db2.gz OUCGIPHYTZMTRW-UHFFFAOYSA-N -1 1 312.385 3.882 20 0 DHADMM [O-]c1cc(F)c(CN2CCSC[C@H]2c2ccccc2)cc1F ZINC001144658408 1031813575 /nfs/dbraw/zinc/81/35/75/1031813575.db2.gz VIWQTDIWCPZZIQ-INIZCTEOSA-N -1 1 321.392 3.961 20 0 DHADMM Cc1cc(C)cc(CCC(=O)Nc2cc(F)cc(F)c2[O-])c1 ZINC001142542920 1032007278 /nfs/dbraw/zinc/00/72/78/1032007278.db2.gz WXDDKDHHHOQPCA-UHFFFAOYSA-N -1 1 305.324 3.859 20 0 DHADMM Cc1ccc(N(C(=O)c2cnc(C3CC3)[n-]c2=O)C2CCC2)cc1 ZINC000923658546 1033309062 /nfs/dbraw/zinc/30/90/62/1033309062.db2.gz LYFCDKDZVXCBDF-UHFFFAOYSA-N -1 1 323.396 3.567 20 0 DHADMM Cc1ccc([C@@H](C)[N@@H+](C)Cc2nnc(-c3ccccc3O)o2)cc1 ZINC000877969029 1033534062 /nfs/dbraw/zinc/53/40/62/1033534062.db2.gz URCNJJVMYHIFFU-CQSZACIVSA-N -1 1 323.396 3.944 20 0 DHADMM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc3c2CCO3)cc1 ZINC000478681757 1033551990 /nfs/dbraw/zinc/55/19/90/1033551990.db2.gz PTPDLELDGUCUDX-UHFFFAOYSA-N -1 1 317.410 3.546 20 0 DHADMM CCN(CC)C(=O)c1ccc(Nc2cc(F)c([O-])cc2F)cc1 ZINC001174065176 1034069357 /nfs/dbraw/zinc/06/93/57/1034069357.db2.gz XHLCSNBPLFKNPE-UHFFFAOYSA-N -1 1 320.339 3.896 20 0 DHADMM COc1ncc(Nc2cc(Cl)c(C)c(Cl)c2[O-])cn1 ZINC001174035116 1034087327 /nfs/dbraw/zinc/08/73/27/1034087327.db2.gz NETKOLNLHRTIQD-UHFFFAOYSA-N -1 1 300.145 3.550 20 0 DHADMM O=C(c1ccc(Nc2ccc(F)c(F)c2[O-])cc1)N1CCCC1 ZINC001174069765 1034129396 /nfs/dbraw/zinc/12/93/96/1034129396.db2.gz XPLHYYDSXXIPKN-UHFFFAOYSA-N -1 1 318.323 3.650 20 0 DHADMM CC(C)(C)NC(=O)c1ccc(Nc2ccnc(Cl)c2[O-])cc1 ZINC001174126755 1034150487 /nfs/dbraw/zinc/15/04/87/1034150487.db2.gz NSHLTLAXYWGCNW-UHFFFAOYSA-N -1 1 319.792 3.713 20 0 DHADMM CC(C)NC(=O)c1ccc(Nc2cc([O-])c(F)c(F)c2)cc1 ZINC001174149610 1034175610 /nfs/dbraw/zinc/17/56/10/1034175610.db2.gz IEJPPRITYXZAOF-UHFFFAOYSA-N -1 1 306.312 3.552 20 0 DHADMM COc1ccc(Nc2cc3ccc([O-])cc3oc2=O)cc1Cl ZINC001174152151 1034177967 /nfs/dbraw/zinc/17/79/67/1034177967.db2.gz FKGGQWXLKDBAAE-UHFFFAOYSA-N -1 1 317.728 3.904 20 0 DHADMM CC(C)NC(=O)c1ccc(Nc2cc(F)c([O-])cc2F)cc1 ZINC001174150708 1034178390 /nfs/dbraw/zinc/17/83/90/1034178390.db2.gz XEKKVJYHZWIHTL-UHFFFAOYSA-N -1 1 306.312 3.552 20 0 DHADMM CSc1nc(Nc2ccc3c(c2)ncn3C(C)C)cc(=O)[n-]1 ZINC001174382133 1034357847 /nfs/dbraw/zinc/35/78/47/1034357847.db2.gz ZZGVVDLHLLFTGS-UHFFFAOYSA-N -1 1 315.402 3.578 20 0 DHADMM CC(C)=CC[C@H](NCc1cc2cc(C)c(C)cc2o1)C(=O)[O-] ZINC000864528757 1034378084 /nfs/dbraw/zinc/37/80/84/1034378084.db2.gz TVPKMHAPHGLBGQ-INIZCTEOSA-N -1 1 301.386 3.949 20 0 DHADMM CCc1cccc2cc(CN[C@@H](CC=C(C)C)C(=O)[O-])oc21 ZINC000864528677 1034379121 /nfs/dbraw/zinc/37/91/21/1034379121.db2.gz RSFAAYKIMICDLQ-INIZCTEOSA-N -1 1 301.386 3.894 20 0 DHADMM O=c1ccn(-c2ccc(Nc3ccc4c(c3)CCCO4)cc2)[n-]1 ZINC001174721497 1034582778 /nfs/dbraw/zinc/58/27/78/1034582778.db2.gz HOMBBCHOICLJDQ-UHFFFAOYSA-N -1 1 307.353 3.647 20 0 DHADMM Cc1nc(SCc2ccnc(Cl)c2)[n-]c(=O)c1C1CC1 ZINC000865373493 1034613300 /nfs/dbraw/zinc/61/33/00/1034613300.db2.gz WOJVNDRAMDTGIF-UHFFFAOYSA-N -1 1 307.806 3.709 20 0 DHADMM CCOc1cc(C(=O)Nc2cc(C)cc(C)n2)cc(Cl)c1[O-] ZINC000186892783 1034669955 /nfs/dbraw/zinc/66/99/55/1034669955.db2.gz OTBRCZUJGJRIQW-UHFFFAOYSA-N -1 1 320.776 3.708 20 0 DHADMM CC[C@H](C)CO[N-]C(=O)[C@H](C)c1cccc(Br)c1 ZINC000794844019 1034685991 /nfs/dbraw/zinc/68/59/91/1034685991.db2.gz VJLWMYPMPXHKIL-WDEREUQCSA-N -1 1 314.223 3.647 20 0 DHADMM COc1c(C)cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1C ZINC001174997281 1034724465 /nfs/dbraw/zinc/72/44/65/1034724465.db2.gz OPOLMOXJPHNVES-UHFFFAOYSA-N -1 1 309.369 3.947 20 0 DHADMM C[C@@H](C1CC1)n1nccc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000192274547 1034790152 /nfs/dbraw/zinc/79/01/52/1034790152.db2.gz BSXGLIUWTAFASL-VIFPVBQESA-N -1 1 320.780 3.857 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCC(C)(C)C[C@@H]1C ZINC000843812892 1034865553 /nfs/dbraw/zinc/86/55/53/1034865553.db2.gz PNUUCNLYBXXIHB-AAEUAGOBSA-N -1 1 319.449 3.559 20 0 DHADMM CC(C)OC(=O)c1ccc(Nc2cc(F)c([O-])cc2F)cc1 ZINC001175258619 1034908580 /nfs/dbraw/zinc/90/85/80/1034908580.db2.gz HMULIAHEWBESIB-UHFFFAOYSA-N -1 1 307.296 3.979 20 0 DHADMM C[C@H]1CN(Cc2ccc(Cl)cc2C(=O)[O-])CCC1(F)F ZINC001142647431 1034915961 /nfs/dbraw/zinc/91/59/61/1034915961.db2.gz WJEVDTINZPSRDT-VIFPVBQESA-N -1 1 303.736 3.515 20 0 DHADMM CCOc1ncc(Nc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC001175559934 1035043206 /nfs/dbraw/zinc/04/32/06/1035043206.db2.gz NIRBZPBDYJTOHI-UHFFFAOYSA-N -1 1 300.145 3.631 20 0 DHADMM [O-]c1c(F)c(F)ccc1Nc1ccnc(Br)c1 ZINC001175749240 1035103809 /nfs/dbraw/zinc/10/38/09/1035103809.db2.gz VMTOEVVFHOSOOR-UHFFFAOYSA-N -1 1 301.090 3.572 20 0 DHADMM CC(C)c1cccc(Nc2cc(S(C)(=O)=O)ccc2[O-])c1 ZINC001175778799 1035119951 /nfs/dbraw/zinc/11/99/51/1035119951.db2.gz UTVQXHYXTGRAID-UHFFFAOYSA-N -1 1 305.399 3.663 20 0 DHADMM CC(=O)OCc1cccc(C)c1Nc1cc(F)c([O-])cc1F ZINC001212771924 1035147653 /nfs/dbraw/zinc/14/76/53/1035147653.db2.gz JGIQXBIHMZUVGS-UHFFFAOYSA-N -1 1 307.296 3.786 20 0 DHADMM O=c1ccn(-c2ccc(Nc3ccccc3OC(F)F)cc2)[n-]1 ZINC001176014238 1035185059 /nfs/dbraw/zinc/18/50/59/1035185059.db2.gz FUCNRSVFRCCIQK-UHFFFAOYSA-N -1 1 317.295 3.923 20 0 DHADMM Cc1cnc(-c2nc(=O)c3c4c(sc3[n-]2)CSCC4)s1 ZINC000668142563 1035186987 /nfs/dbraw/zinc/18/69/87/1035186987.db2.gz URDCRSAMKPGVNT-UHFFFAOYSA-N -1 1 321.452 3.618 20 0 DHADMM CC(=O)N1CC=C(Nc2cc(Cl)c(C)c(Cl)c2[O-])CC1 ZINC001176037661 1035188699 /nfs/dbraw/zinc/18/86/99/1035188699.db2.gz WVDIAMLLTNBRLX-UHFFFAOYSA-N -1 1 315.200 3.555 20 0 DHADMM O=C([O-])C[C@@H](NCc1cc(Cl)ccc1F)c1cccs1 ZINC000160738000 1035228787 /nfs/dbraw/zinc/22/87/87/1035228787.db2.gz WDHVFVSJBMWFRW-GFCCVEGCSA-N -1 1 313.781 3.846 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(Cl)c(C)c2)cc1N ZINC001176338054 1035243560 /nfs/dbraw/zinc/24/35/60/1035243560.db2.gz QZVAXMUXHOWKAM-UHFFFAOYSA-N -1 1 324.833 3.648 20 0 DHADMM C[C@H](OC(=O)c1ccc([O-])cc1F)C(=O)c1ccc(Cl)cc1 ZINC000773566427 1035251169 /nfs/dbraw/zinc/25/11/69/1035251169.db2.gz NPNGSRWVRMRRGQ-VIFPVBQESA-N -1 1 322.719 3.613 20 0 DHADMM O=C1Cc2cc(Nc3ccc(Cl)c(Cl)c3[O-])ccc2N1 ZINC001176432123 1035263215 /nfs/dbraw/zinc/26/32/15/1035263215.db2.gz BWEMQPTVMLVISG-UHFFFAOYSA-N -1 1 309.152 3.937 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cccnc2OC(F)(F)F)c1F ZINC001176663454 1035308894 /nfs/dbraw/zinc/30/88/94/1035308894.db2.gz KSWXAINCDSBUHL-UHFFFAOYSA-N -1 1 324.180 3.847 20 0 DHADMM Cc1nn(C)c2cc(Nc3c(F)cc(F)c([O-])c3F)ccc12 ZINC001176673704 1035311592 /nfs/dbraw/zinc/31/15/92/1035311592.db2.gz WYAXQOBCIWPPGM-UHFFFAOYSA-N -1 1 307.275 3.748 20 0 DHADMM CCn1cc2cc(Nc3c(F)cc(F)c([O-])c3F)ccc2n1 ZINC001176673755 1035311718 /nfs/dbraw/zinc/31/17/18/1035311718.db2.gz ZQHPFEMSXSLIBR-UHFFFAOYSA-N -1 1 307.275 3.923 20 0 DHADMM COc1nccc(Nc2c(F)cc(F)c([O-])c2F)c1Cl ZINC001176663421 1035317612 /nfs/dbraw/zinc/31/76/12/1035317612.db2.gz DYIGOPZRVNACRD-UHFFFAOYSA-N -1 1 304.655 3.610 20 0 DHADMM COC(=O)c1sc(C)cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176663048 1035318234 /nfs/dbraw/zinc/31/82/34/1035318234.db2.gz AMSATVTUGATBNK-UHFFFAOYSA-N -1 1 317.288 3.710 20 0 DHADMM Cc1coc(-c2cccc(NC(=O)c3cc(F)ccc3[O-])c2)n1 ZINC000163503477 1035324319 /nfs/dbraw/zinc/32/43/19/1035324319.db2.gz MHAFPVMNQRRIDF-UHFFFAOYSA-N -1 1 312.300 3.747 20 0 DHADMM Cc1cc(C)c(/C=C\CNCc2nc(C(=O)[O-])cs2)cc1C ZINC000903996196 1035338592 /nfs/dbraw/zinc/33/85/92/1035338592.db2.gz CFAQGVNLJMZRKJ-PLNGDYQASA-N -1 1 316.426 3.570 20 0 DHADMM C[C@@H](Cc1ccccc1F)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001176988629 1035339709 /nfs/dbraw/zinc/33/97/09/1035339709.db2.gz REQKXHGKEMIAGQ-NSHDSACASA-N -1 1 321.779 3.680 20 0 DHADMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000484541822 1035359080 /nfs/dbraw/zinc/35/90/80/1035359080.db2.gz LPBJOTNAXYOSLY-UHFFFAOYSA-N -1 1 319.426 3.757 20 0 DHADMM C[C@@H](N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2)C(=O)[O-] ZINC000904204126 1035385249 /nfs/dbraw/zinc/38/52/49/1035385249.db2.gz SWDLAKNJFNWPAC-SJKOYZFVSA-N -1 1 315.438 3.779 20 0 DHADMM CSc1ccc([O-])c(-c2nc(-c3ccc(F)cc3)no2)c1 ZINC000904274129 1035393981 /nfs/dbraw/zinc/39/39/81/1035393981.db2.gz PMYMXAUWGLASHA-UHFFFAOYSA-N -1 1 302.330 3.970 20 0 DHADMM CCc1cc(=O)[n-]c(SCCCOc2c(C)cccc2C)n1 ZINC000195070690 1035408129 /nfs/dbraw/zinc/40/81/29/1035408129.db2.gz NKOMSZQHNRHOIQ-UHFFFAOYSA-N -1 1 318.442 3.510 20 0 DHADMM CCc1cc(=O)[n-]c(SCCCOc2cc(C)cc(C)c2)n1 ZINC000195072608 1035408937 /nfs/dbraw/zinc/40/89/37/1035408937.db2.gz OBXFMFOWGGXCIK-UHFFFAOYSA-N -1 1 318.442 3.510 20 0 DHADMM CCCCN(Cc1c(C)oc(C)c1C)C(=O)c1ncccc1[O-] ZINC001178530612 1035433976 /nfs/dbraw/zinc/43/39/76/1035433976.db2.gz UUOMZZUXWBJYGT-UHFFFAOYSA-N -1 1 316.401 3.748 20 0 DHADMM COc1cccc([O-])c1C(=O)Nc1cc2ccccc2c(OC)c1 ZINC001178754007 1035445455 /nfs/dbraw/zinc/44/54/55/1035445455.db2.gz YXXRHOQAVVNHLZ-UHFFFAOYSA-N -1 1 323.348 3.815 20 0 DHADMM C[C@]1(Cc2cccs2)CCCN1C(=O)c1cccc([O-])c1F ZINC001179564216 1035482859 /nfs/dbraw/zinc/48/28/59/1035482859.db2.gz MCBMTJCOAWJNLP-QGZVFWFLSA-N -1 1 319.401 3.830 20 0 DHADMM Cc1cc(F)cc(C(=O)Nc2ccc3[nH][n-]c(=O)c3c2)c1Cl ZINC001193311989 1035600732 /nfs/dbraw/zinc/60/07/32/1035600732.db2.gz TYFDNDHXWDOVEK-UHFFFAOYSA-N -1 1 319.723 3.622 20 0 DHADMM COC(=O)c1c(C)scc1Nc1cc([O-])c(F)c(F)c1F ZINC001249960658 1035625847 /nfs/dbraw/zinc/62/58/47/1035625847.db2.gz PGABWADWWJXGKX-UHFFFAOYSA-N -1 1 317.288 3.710 20 0 DHADMM O=C([O-])c1ccc(CN[C@H](c2ccc(F)cc2)C2CCC2)nc1 ZINC000905724962 1035627863 /nfs/dbraw/zinc/62/78/63/1035627863.db2.gz QWFGIHXMZDXMBR-KRWDZBQOSA-N -1 1 314.360 3.550 20 0 DHADMM C/C(=C\c1ccccc1)CN1CCOc2cc(C(=O)[O-])ccc2C1 ZINC000905799133 1035658459 /nfs/dbraw/zinc/65/84/59/1035658459.db2.gz PTBHMRNVMPVXHF-RVDMUPIBSA-N -1 1 323.392 3.683 20 0 DHADMM O=C(Nc1cccc(Oc2ccccc2)n1)c1ccc(O)cc1[O-] ZINC001180669036 1035733844 /nfs/dbraw/zinc/73/38/44/1035733844.db2.gz VXXZPJZONLTIQF-UHFFFAOYSA-N -1 1 322.320 3.537 20 0 DHADMM CN(C)c1ccccc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000192189988 1035778404 /nfs/dbraw/zinc/77/84/04/1035778404.db2.gz GMIPYJUPQBCPIU-UHFFFAOYSA-N -1 1 305.765 3.756 20 0 DHADMM CCCCCCOC(=O)Nc1cc2ccc([O-])cc2oc1=O ZINC001194161861 1035856688 /nfs/dbraw/zinc/85/66/88/1035856688.db2.gz CJFSDMKBWRNFRI-UHFFFAOYSA-N -1 1 305.330 3.627 20 0 DHADMM COC(=O)c1c[n-]c(SCc2ccccc2C(F)(F)F)n1 ZINC000193544992 1035895989 /nfs/dbraw/zinc/89/59/89/1035895989.db2.gz WEPRKHFMVNJHDY-UHFFFAOYSA-N -1 1 316.304 3.507 20 0 DHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1cc(F)c(C)c(F)c1 ZINC001194638940 1035976677 /nfs/dbraw/zinc/97/66/77/1035976677.db2.gz OIKWXWCJUOTABX-UHFFFAOYSA-N -1 1 311.353 3.691 20 0 DHADMM CC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)cccc2C)c1 ZINC001194639345 1035977349 /nfs/dbraw/zinc/97/73/49/1035977349.db2.gz PVAWROOHRLDFPU-UHFFFAOYSA-N -1 1 317.410 3.615 20 0 DHADMM [O-]c1cc(F)c(Nc2c(F)c(F)ccc2CO)cc1Cl ZINC001250026709 1036039093 /nfs/dbraw/zinc/03/90/93/1036039093.db2.gz TZLGINMBMBHJHA-UHFFFAOYSA-N -1 1 303.667 3.699 20 0 DHADMM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ncc(C)cc1[O-] ZINC000494817066 1036051340 /nfs/dbraw/zinc/05/13/40/1036051340.db2.gz BOVDARXOORRDRB-SJORKVTESA-N -1 1 324.424 3.894 20 0 DHADMM O=c1[nH]cccc1Nc1cc(Br)cc(Cl)c1[O-] ZINC001206480940 1036100333 /nfs/dbraw/zinc/10/03/33/1036100333.db2.gz KQBPPLZFNVDSPZ-UHFFFAOYSA-N -1 1 315.554 3.652 20 0 DHADMM COc1c(Br)cccc1[N-]c1nnc(C(C)C)o1 ZINC001250037979 1036130036 /nfs/dbraw/zinc/13/00/36/1036130036.db2.gz SNEROHQBDUUJPA-UHFFFAOYSA-N -1 1 312.167 3.708 20 0 DHADMM COc1ccccc1OC(=O)Nc1cc([O-])c(Cl)cc1F ZINC001195262350 1036195843 /nfs/dbraw/zinc/19/58/43/1036195843.db2.gz SPBUSQHSDHHELA-UHFFFAOYSA-N -1 1 311.696 3.804 20 0 DHADMM Cc1ccc([O-])c(C(=O)N2CCC[C@@H]2c2cc3ccccc3[nH]2)n1 ZINC001195324524 1036203920 /nfs/dbraw/zinc/20/39/20/1036203920.db2.gz QAOCZTUDKHJAPR-MRXNPFEDSA-N -1 1 321.380 3.554 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1ccc(-c2ccccc2)cc1F ZINC001195492646 1036266738 /nfs/dbraw/zinc/26/67/38/1036266738.db2.gz NPXSRIZQBRRQSN-UHFFFAOYSA-N -1 1 318.373 3.936 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1ccccc1Cc1ccccc1 ZINC001195487281 1036267490 /nfs/dbraw/zinc/26/74/90/1036267490.db2.gz PYSAOBHCAWFMJN-UHFFFAOYSA-N -1 1 314.410 3.720 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1c(Cl)cc(C)cc1Cl ZINC001195490481 1036269334 /nfs/dbraw/zinc/26/93/34/1036269334.db2.gz HNUIJYXGWGZNFP-UHFFFAOYSA-N -1 1 307.202 3.745 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1cccc(-c2cccc(F)c2)c1 ZINC001195486977 1036269630 /nfs/dbraw/zinc/26/96/30/1036269630.db2.gz OQJMGAFHWQSQIO-UHFFFAOYSA-N -1 1 318.373 3.936 20 0 DHADMM COc1cnc(C(=O)[N-]c2ccccc2SC(C)(C)C)o1 ZINC001195800924 1036349485 /nfs/dbraw/zinc/34/94/85/1036349485.db2.gz NTRZVBGBDORCTE-UHFFFAOYSA-N -1 1 306.387 3.826 20 0 DHADMM Cc1cc(F)ccc1NC(=S)Nc1cc(F)cc(F)c1[O-] ZINC001196126087 1036444695 /nfs/dbraw/zinc/44/46/95/1036444695.db2.gz RWVDESANVGTOSI-UHFFFAOYSA-N -1 1 312.316 3.927 20 0 DHADMM [O-]c1ccc(CNCc2cccc(OC3CC3)c2F)c(F)c1F ZINC001182796252 1036446081 /nfs/dbraw/zinc/44/60/81/1036446081.db2.gz SBPPESKFSBVRSD-UHFFFAOYSA-N -1 1 323.314 3.641 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)C1=CCCCCC1 ZINC000908709069 1036489623 /nfs/dbraw/zinc/48/96/23/1036489623.db2.gz GDCLRRDBNYDGOQ-UHFFFAOYSA-N -1 1 310.191 3.984 20 0 DHADMM C/C=C\COc1cccc(CC(=O)Nc2ccc(F)cc2[O-])c1 ZINC001183053992 1036513249 /nfs/dbraw/zinc/51/32/49/1036513249.db2.gz BHHKQTOJJIPFAD-IHWYPQMZSA-N -1 1 315.344 3.667 20 0 DHADMM Cc1[nH]nc2cc(NC(=O)c3cc(Cl)c(F)cc3[O-])ccc12 ZINC001196466108 1036536807 /nfs/dbraw/zinc/53/68/07/1036536807.db2.gz FNZBXKLBVMAAFD-UHFFFAOYSA-N -1 1 319.723 3.622 20 0 DHADMM C[C@H]1CN(Cc2cccc([O-])c2Cl)C[C@@H](CC(F)(F)F)O1 ZINC000668769779 1036615359 /nfs/dbraw/zinc/61/53/59/1036615359.db2.gz ZGZHQGHIVVCRCF-GXSJLCMTSA-N -1 1 323.742 3.587 20 0 DHADMM CC1(C)CCC(C)(C)c2cc(C(=O)Nc3c[n-][nH]c3=O)ccc21 ZINC001183563396 1036620137 /nfs/dbraw/zinc/62/01/37/1036620137.db2.gz RNDSDSFUCFOXPO-UHFFFAOYSA-N -1 1 313.401 3.717 20 0 DHADMM [O-]c1c(F)cc(F)c(CCCOc2ccc(F)cc2)c1F ZINC001250115942 1036624167 /nfs/dbraw/zinc/62/41/67/1036624167.db2.gz HIJJSLAFOLNUOB-UHFFFAOYSA-N -1 1 300.251 3.960 20 0 DHADMM CC(C)(O)C=CNc1cc(Br)cc(Cl)c1[O-] ZINC001203226494 1036680746 /nfs/dbraw/zinc/68/07/46/1036680746.db2.gz DOCKTYYKKSUBQL-ONEGZZNKSA-N -1 1 306.587 3.505 20 0 DHADMM CCCC1(CCC)CCCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000913806759 1036727382 /nfs/dbraw/zinc/72/73/82/1036727382.db2.gz BPZGKDOIZWENRV-UHFFFAOYSA-N -1 1 317.433 3.635 20 0 DHADMM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909984738 1036730291 /nfs/dbraw/zinc/73/02/91/1036730291.db2.gz SIGZYJKGZGULSZ-RKDXNWHRSA-N -1 1 309.337 3.783 20 0 DHADMM Cc1nc(CC2CC2)sc1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909986442 1036732453 /nfs/dbraw/zinc/73/24/53/1036732453.db2.gz KYOCXQYROVNNAM-UHFFFAOYSA-N -1 1 324.352 3.640 20 0 DHADMM CCC(CC)(CC)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000761476577 1036916753 /nfs/dbraw/zinc/91/67/53/1036916753.db2.gz WRWZOFWEIXYXDL-UHFFFAOYSA-N -1 1 306.402 3.897 20 0 DHADMM CSc1nc(NC(=O)Nc2cccc(Cl)c2C)cc(=O)[n-]1 ZINC001184655108 1036920209 /nfs/dbraw/zinc/92/02/09/1036920209.db2.gz LBLILXYLGIJFDT-UHFFFAOYSA-N -1 1 324.793 3.510 20 0 DHADMM [O-]c1cccc(NC(=S)Nc2ccc3c(c2)OCO3)c1Cl ZINC001198288193 1036988564 /nfs/dbraw/zinc/98/85/64/1036988564.db2.gz SPHFKHBVYRWSIL-UHFFFAOYSA-N -1 1 322.773 3.583 20 0 DHADMM CC(=O)CCCCOC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000762876320 1037044389 /nfs/dbraw/zinc/04/43/89/1037044389.db2.gz ALYKCQNZYYXPMJ-UHFFFAOYSA-N -1 1 305.157 3.615 20 0 DHADMM CC[C@@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)c1ccccn1 ZINC000911142433 1037074876 /nfs/dbraw/zinc/07/48/76/1037074876.db2.gz QMHABTIQMLIJOP-GFCCVEGCSA-N -1 1 324.302 3.687 20 0 DHADMM Cc1cc(C(=O)[N-]c2ccccc2SC(F)(F)F)on1 ZINC000915655467 1037120222 /nfs/dbraw/zinc/12/02/22/1037120222.db2.gz WFBWWLZQDZLEPZ-UHFFFAOYSA-N -1 1 302.277 3.847 20 0 DHADMM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc2occc2c1 ZINC001198816022 1037138674 /nfs/dbraw/zinc/13/86/74/1037138674.db2.gz BWLVLPOFDHTNTC-UHFFFAOYSA-N -1 1 307.758 3.887 20 0 DHADMM Cc1cccc([N-]S(=O)(=O)c2ccc3occc3c2)c1C ZINC001198816144 1037138905 /nfs/dbraw/zinc/13/89/05/1037138905.db2.gz FLDSIRXXXCXXSF-UHFFFAOYSA-N -1 1 301.367 3.850 20 0 DHADMM CSc1cccc([N-]S(=O)(=O)c2ccc3occc3c2)c1 ZINC001198860755 1037149808 /nfs/dbraw/zinc/14/98/08/1037149808.db2.gz BXJSCFMRGWCJOQ-UHFFFAOYSA-N -1 1 319.407 3.956 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)ccc1Cl ZINC001185484197 1037157445 /nfs/dbraw/zinc/15/74/45/1037157445.db2.gz BBEAOHPBNGTFRB-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(C2CC2)c1 ZINC001185836946 1037245170 /nfs/dbraw/zinc/24/51/70/1037245170.db2.gz ZDYUNEGYKDSQAX-UHFFFAOYSA-N -1 1 305.374 3.812 20 0 DHADMM C[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1cccc(Cl)c1F ZINC001186237753 1037341617 /nfs/dbraw/zinc/34/16/17/1037341617.db2.gz ZANSPUIBRHJRIM-MRVPVSSYSA-N -1 1 311.715 3.815 20 0 DHADMM O=C(Nc1cncc(-c2ccccc2)c1)c1ccc([O-])cc1F ZINC001186318046 1037356913 /nfs/dbraw/zinc/35/69/13/1037356913.db2.gz CYZOHKNJZHFSMJ-UHFFFAOYSA-N -1 1 308.312 3.846 20 0 DHADMM CN(C(=O)c1ccc([O-])cc1F)C(C)(C)Cc1ccccc1 ZINC001186326386 1037359390 /nfs/dbraw/zinc/35/93/90/1037359390.db2.gz CQAGOLDSFREVCI-UHFFFAOYSA-N -1 1 301.361 3.625 20 0 DHADMM O=C(Nc1ncccc1-c1ccccc1)c1ccc([O-])cc1F ZINC001186311559 1037365017 /nfs/dbraw/zinc/36/50/17/1037365017.db2.gz XNJUWNPTCLLKTJ-UHFFFAOYSA-N -1 1 308.312 3.846 20 0 DHADMM [O-]c1c(F)cc(F)cc1NC(=S)NCC1CCCCC1 ZINC001199928544 1037374380 /nfs/dbraw/zinc/37/43/80/1037374380.db2.gz SFIFUEYAYFIGIC-UHFFFAOYSA-N -1 1 300.374 3.537 20 0 DHADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1cccc(Cl)c1F ZINC001186337207 1037376782 /nfs/dbraw/zinc/37/67/82/1037376782.db2.gz FVYKHPRSDAJDKC-MRVPVSSYSA-N -1 1 311.715 3.815 20 0 DHADMM [O-]c1cc(NC(=S)NC2CCCCCC2)c(F)cc1F ZINC001199969046 1037388607 /nfs/dbraw/zinc/38/86/07/1037388607.db2.gz INOYPTGBKVUBLN-UHFFFAOYSA-N -1 1 300.374 3.680 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)N[C@@H]1CCCc2ccccc21 ZINC001186454057 1037403647 /nfs/dbraw/zinc/40/36/47/1037403647.db2.gz ZRGKHDOUCSVSMH-GFCCVEGCSA-N -1 1 318.323 3.870 20 0 DHADMM Cc1nc(-c2ccc(NC(=O)c3ccc([O-])cc3F)cc2)co1 ZINC000776111111 1037443806 /nfs/dbraw/zinc/44/38/06/1037443806.db2.gz BUZHQZNJFOUOQT-UHFFFAOYSA-N -1 1 312.300 3.747 20 0 DHADMM Cc1c(Nc2c([O-])cc(F)cc2F)cnn1-c1ccccc1 ZINC001201373925 1037618190 /nfs/dbraw/zinc/61/81/90/1037618190.db2.gz FSABJFLZXBJEAE-UHFFFAOYSA-N -1 1 301.296 3.908 20 0 DHADMM CCC(C)(C)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182903520 1037680540 /nfs/dbraw/zinc/68/05/40/1037680540.db2.gz OHQUVPQDYRVZAI-UHFFFAOYSA-N -1 1 300.196 3.838 20 0 DHADMM Cc1cc2c(cc1C)[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)CO2 ZINC000184820350 1037760688 /nfs/dbraw/zinc/76/06/88/1037760688.db2.gz YDZDJXWOMRQSNL-CYBMUJFWSA-N -1 1 317.772 3.777 20 0 DHADMM CCCc1cc(=O)[n-]c(SCCO[C@@H]2CCCC[C@H]2C)n1 ZINC001188163206 1037831744 /nfs/dbraw/zinc/83/17/44/1037831744.db2.gz PPLHYHARKLMYHD-TZMCWYRMSA-N -1 1 310.463 3.822 20 0 DHADMM O=C(Nc1cccc(Cl)c1F)Nc1cc(Cl)ncc1[O-] ZINC001188385310 1037882299 /nfs/dbraw/zinc/88/22/99/1037882299.db2.gz FSXUBWTXZNAPKR-UHFFFAOYSA-N -1 1 316.119 3.877 20 0 DHADMM O=C(Nc1ccc2n[nH]cc2c1)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188564433 1037920697 /nfs/dbraw/zinc/92/06/97/1037920697.db2.gz WPJJQWXANXQYCL-UHFFFAOYSA-N -1 1 321.258 3.540 20 0 DHADMM CCc1cccc(S(=O)(=O)[N-]c2cc(F)c(OC)cc2C)c1 ZINC000187068798 1037945002 /nfs/dbraw/zinc/94/50/02/1037945002.db2.gz PWCNWLCESLBCHB-UHFFFAOYSA-N -1 1 323.389 3.506 20 0 DHADMM [O-]c1cc(F)c(Nc2ccc(CO)c(F)c2Cl)cc1F ZINC001250301427 1038007491 /nfs/dbraw/zinc/00/74/91/1038007491.db2.gz AOWYEWLZSUOEAD-UHFFFAOYSA-N -1 1 303.667 3.699 20 0 DHADMM O=S(=O)(CC1CC1)[N-]c1ccccc1Oc1ccc(F)cc1 ZINC001188926941 1038008946 /nfs/dbraw/zinc/00/89/46/1038008946.db2.gz PBGJRPMNABKKON-UHFFFAOYSA-N -1 1 321.373 3.770 20 0 DHADMM Cc1ccc(Oc2ccccc2[N-]S(=O)(=O)CC2CC2)cc1 ZINC001188964355 1038024396 /nfs/dbraw/zinc/02/43/96/1038024396.db2.gz VJLQIJXHNKQWCN-UHFFFAOYSA-N -1 1 317.410 3.939 20 0 DHADMM O=c1cc(C(F)F)nc(S[C@@H]2CCCc3cccnc32)[n-]1 ZINC001189476454 1038155136 /nfs/dbraw/zinc/15/51/36/1038155136.db2.gz LWCFVMNSPPYOCK-SNVBAGLBSA-N -1 1 309.341 3.685 20 0 DHADMM O=S(=O)(Cc1cc(F)ccc1F)[N-]c1cccc2occc21 ZINC001189697176 1038195040 /nfs/dbraw/zinc/19/50/40/1038195040.db2.gz MDEBQXOFFGIJCM-UHFFFAOYSA-N -1 1 323.320 3.653 20 0 DHADMM CC[C@H]1CC[C@H](C)N1C(=O)c1ccc(Br)cc1[O-] ZINC000127574505 1038198674 /nfs/dbraw/zinc/19/86/74/1038198674.db2.gz MYNBBRAJIJNLOE-ONGXEEELSA-N -1 1 312.207 3.558 20 0 DHADMM CC[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(Br)cc1[O-] ZINC000127574761 1038199675 /nfs/dbraw/zinc/19/96/75/1038199675.db2.gz MYNBBRAJIJNLOE-MWLCHTKSSA-N -1 1 312.207 3.558 20 0 DHADMM Cc1cccc([N-]S(=O)(=O)CCCF)c1Oc1ccccc1 ZINC001189905881 1038230256 /nfs/dbraw/zinc/23/02/56/1038230256.db2.gz DYUQZGQOIJBHMC-UHFFFAOYSA-N -1 1 323.389 3.889 20 0 DHADMM COc1ccc(C)c([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1 ZINC001190463574 1038322747 /nfs/dbraw/zinc/32/27/47/1038322747.db2.gz GVHKGHXOQRKEOJ-UHFFFAOYSA-N -1 1 317.410 3.682 20 0 DHADMM O=S(=O)([N-]c1cccc2ncccc12)c1ccc(C2CC2)cc1 ZINC001190460102 1038323859 /nfs/dbraw/zinc/32/38/59/1038323859.db2.gz FLJYKZQZZZMWGQ-UHFFFAOYSA-N -1 1 324.405 3.913 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2ccn3C)c(C)c1 ZINC000588834658 1038382446 /nfs/dbraw/zinc/38/24/46/1038382446.db2.gz PUABNZODQLCYDE-UHFFFAOYSA-N -1 1 314.410 3.596 20 0 DHADMM Cc1cccc(CNC(=O)Nc2cc([O-])c(Cl)cc2F)c1 ZINC001190995197 1038424236 /nfs/dbraw/zinc/42/42/36/1038424236.db2.gz VDLLLVUVLSKQQB-UHFFFAOYSA-N -1 1 308.740 3.815 20 0 DHADMM CCCCc1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2)cc1 ZINC001191225168 1038471932 /nfs/dbraw/zinc/47/19/32/1038471932.db2.gz QUJHDNHFWUIZOQ-UHFFFAOYSA-N -1 1 324.833 3.878 20 0 DHADMM O=C(Nc1ccc(-n2cccc2)cc1)c1cc([O-])cc(F)c1F ZINC001192651828 1038686885 /nfs/dbraw/zinc/68/68/85/1038686885.db2.gz OMIJTWSETUBSBS-UHFFFAOYSA-N -1 1 314.291 3.713 20 0 DHADMM COc1cc(C)c(NC(=O)c2cc([O-])cc(F)c2F)cc1C ZINC001192671216 1038689963 /nfs/dbraw/zinc/68/99/63/1038689963.db2.gz XQXKRVRIISJESH-UHFFFAOYSA-N -1 1 307.296 3.548 20 0 DHADMM CC(C)[C@H](NC(=O)c1cc([O-])cc(F)c1F)c1ccc(F)cc1 ZINC001192679349 1038690681 /nfs/dbraw/zinc/69/06/81/1038690681.db2.gz SDGUSVSREHTOKP-INIZCTEOSA-N -1 1 323.314 3.937 20 0 DHADMM Cc1cccc([C@@H](C)NC(=O)c2cc([O-])cc(F)c2F)c1C ZINC001192684607 1038692375 /nfs/dbraw/zinc/69/23/75/1038692375.db2.gz RDMSAZPNXXBXIA-LLVKDONJSA-N -1 1 305.324 3.778 20 0 DHADMM O=C([O-])c1ccc(CN2CCC[C@@H]2c2ccsc2)c(F)c1 ZINC000574405660 1039638539 /nfs/dbraw/zinc/63/85/39/1039638539.db2.gz BSDCJEDWMOTCLN-OAHLLOKOSA-N -1 1 305.374 3.923 20 0 DHADMM COc1ccccc1CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000605446462 1039684001 /nfs/dbraw/zinc/68/40/01/1039684001.db2.gz CWUMHGVAHFXBAQ-UHFFFAOYSA-N -1 1 316.304 3.502 20 0 DHADMM COc1cc(C(=O)Nc2c([O-])cccc2F)ccc1OC(C)C ZINC000605440628 1039684673 /nfs/dbraw/zinc/68/46/73/1039684673.db2.gz XGFRNDIBLLDZLO-UHFFFAOYSA-N -1 1 319.332 3.579 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1cnc(-c2ccccc2)s1 ZINC000605440484 1039685047 /nfs/dbraw/zinc/68/50/47/1039685047.db2.gz SSTUYGGUOJHFHC-UHFFFAOYSA-N -1 1 314.341 3.907 20 0 DHADMM O=S(=O)([N-]CCCC1CC1)c1cc(Cl)sc1Cl ZINC000605588254 1039721595 /nfs/dbraw/zinc/72/15/95/1039721595.db2.gz GWXVMEVDLUPSMP-UHFFFAOYSA-N -1 1 314.259 3.523 20 0 DHADMM CC(C)c1nc(=NCCCCOc2ccc(Cl)cc2)o[n-]1 ZINC000605690533 1039740267 /nfs/dbraw/zinc/74/02/67/1039740267.db2.gz YMQOWOOZCXDQSN-UHFFFAOYSA-N -1 1 309.797 3.539 20 0 DHADMM CS[C@H]1CC[C@H](NC(=O)c2ccc3ccccc3c2[O-])C1 ZINC000231678166 1040382215 /nfs/dbraw/zinc/38/22/15/1040382215.db2.gz KJTGDFZITUKMCA-STQMWFEESA-N -1 1 301.411 3.559 20 0 DHADMM O=C(CSc1ccc2c(c1)CCC2)Nc1c([O-])cccc1F ZINC000608365293 1040471939 /nfs/dbraw/zinc/47/19/39/1040471939.db2.gz FWIRZAFWKSMKAN-UHFFFAOYSA-N -1 1 317.385 3.751 20 0 DHADMM COc1cccc2cc(C(=O)Nc3c([O-])cccc3F)oc21 ZINC000608367569 1040473441 /nfs/dbraw/zinc/47/34/41/1040473441.db2.gz XGYCQLHLOALKTL-UHFFFAOYSA-N -1 1 301.273 3.538 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1ccc2[nH]c(C(F)F)nc2c1 ZINC000608366750 1040475284 /nfs/dbraw/zinc/47/52/84/1040475284.db2.gz XMWCEGPULFXPBC-UHFFFAOYSA-N -1 1 321.258 3.598 20 0 DHADMM C[C@@H]1CCN(C(=O)c2ccc([O-])cc2F)[C@H](c2ccco2)C1 ZINC000181247503 334963714 /nfs/dbraw/zinc/96/37/14/334963714.db2.gz HWUQURPHGSARRA-ABAIWWIYSA-N -1 1 303.333 3.738 20 0 DHADMM O=c1cc(C(F)(F)F)nc(SCc2ccccc2Cl)[n-]1 ZINC000005155168 181211358 /nfs/dbraw/zinc/21/13/58/181211358.db2.gz IHMXULODJZJJHD-UHFFFAOYSA-N -1 1 320.723 3.734 20 0 DHADMM O=S(=O)([N-]c1ccc(Cl)cc1F)c1ccccc1Cl ZINC000006316523 181329360 /nfs/dbraw/zinc/32/93/60/181329360.db2.gz CKNTXEJUTQBLSG-UHFFFAOYSA-N -1 1 320.172 3.933 20 0 DHADMM COc1cc(C(=O)N2CCC[C@H]2c2ccco2)cc(Cl)c1[O-] ZINC000135117922 335023743 /nfs/dbraw/zinc/02/37/43/335023743.db2.gz RUCFJBDPSPVJAN-LBPRGKRZSA-N -1 1 321.760 3.625 20 0 DHADMM CC(C)c1nc(Cc2noc(-c3ccc([O-])cc3F)n2)cs1 ZINC000274991454 130281267 /nfs/dbraw/zinc/28/12/67/130281267.db2.gz LXRDOGQZDJKROE-UHFFFAOYSA-N -1 1 319.361 3.752 20 0 DHADMM C[C@H]1C(=O)CC[C@H](c2nc(-c3ccc([O-])cc3F)no2)C1(C)C ZINC000289181970 131363712 /nfs/dbraw/zinc/36/37/12/131363712.db2.gz WJEYOLFKJHMDPD-JOYOIKCWSA-N -1 1 318.348 3.690 20 0 DHADMM Cc1nc(CC(C)C)c([N-]S(=O)(=O)Cc2ccccc2)s1 ZINC000340644061 132117447 /nfs/dbraw/zinc/11/74/47/132117447.db2.gz ZVJKOTTTYWECMP-UHFFFAOYSA-N -1 1 324.471 3.592 20 0 DHADMM CC(C)[C@@H]1C[C@@](NCc2cccs2)(C(=O)[O-])c2ccccc21 ZINC000340690893 132158216 /nfs/dbraw/zinc/15/82/16/132158216.db2.gz NBMRBIJTPBZRIG-YJBOKZPZSA-N -1 1 315.438 3.961 20 0 DHADMM C[C@H](NCc1ccc(-c2ccc(C(F)(F)F)cc2)o1)C(=O)[O-] ZINC000340700105 132163841 /nfs/dbraw/zinc/16/38/41/132163841.db2.gz ZVKQSLOJDAJWOV-VIFPVBQESA-N -1 1 313.275 3.528 20 0 DHADMM CC(C)(C)c1nnc([N-]C(=O)c2ccc(C(F)F)o2)s1 ZINC000624516748 435382969 /nfs/dbraw/zinc/38/29/69/435382969.db2.gz MHCMTXZKZLNNGI-UHFFFAOYSA-N -1 1 301.318 3.619 20 0 DHADMM O=C(Nc1cccc(Oc2ccccn2)c1)c1ccc(O)cc1[O-] ZINC000175431783 332890298 /nfs/dbraw/zinc/89/02/98/332890298.db2.gz FSCIHGPTEDRTLM-UHFFFAOYSA-N -1 1 322.320 3.537 20 0 DHADMM O=C([O-])[C@H](NCc1ccc(Cl)c(F)c1)c1ccccc1F ZINC000426767146 331777605 /nfs/dbraw/zinc/77/76/05/331777605.db2.gz KQQAFYPHUNPCND-CQSZACIVSA-N -1 1 311.715 3.534 20 0 DHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2cc3c(cccc3F)[nH]2)o1 ZINC000426768621 331909745 /nfs/dbraw/zinc/90/97/45/331909745.db2.gz ASJINSYHGGJKMT-HNNXBMFYSA-N -1 1 316.332 3.514 20 0 DHADMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000096659364 332138709 /nfs/dbraw/zinc/13/87/09/332138709.db2.gz XWPTURGLRXOGFE-UHFFFAOYSA-N -1 1 303.427 3.921 20 0 DHADMM O=C([O-])[C@@H](NCc1ccc2ccccc2c1)c1ccccc1F ZINC000426782652 332152679 /nfs/dbraw/zinc/15/26/79/332152679.db2.gz HIWXXVTVVKMWHA-SFHVURJKSA-N -1 1 309.340 3.894 20 0 DHADMM CCCSC[C@@H](NCc1ccc(C(C)(C)C)s1)C(=O)[O-] ZINC000426788579 332153563 /nfs/dbraw/zinc/15/35/63/332153563.db2.gz NVVGVNJBCLTNSH-GFCCVEGCSA-N -1 1 315.504 3.732 20 0 DHADMM Cc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)cc1C ZINC000426812267 332157002 /nfs/dbraw/zinc/15/70/02/332157002.db2.gz XOHGWQVOTJICEI-KRWDZBQOSA-N -1 1 319.351 3.887 20 0 DHADMM CC[C@@H]1CN(C(=O)c2ncc(C)cc2[O-])CC[C@@H]1c1ccccc1 ZINC000427259808 332191056 /nfs/dbraw/zinc/19/10/56/332191056.db2.gz YKJNHZNYVUJLKW-WBVHZDCISA-N -1 1 324.424 3.752 20 0 DHADMM CC(C)c1ccc([C@H]2CCCN2C(=O)c2ncccc2[O-])cc1 ZINC000427652253 332476522 /nfs/dbraw/zinc/47/65/22/332476522.db2.gz CZGJHXFHZHZTOX-MRXNPFEDSA-N -1 1 310.397 3.888 20 0 DHADMM CCCc1nc(C(=O)[N-]c2c(F)cc(Cl)cc2F)co1 ZINC000429088057 332519033 /nfs/dbraw/zinc/51/90/33/332519033.db2.gz PAPLMMCSWQTLBI-UHFFFAOYSA-N -1 1 300.692 3.811 20 0 DHADMM C[C@H]1c2cccn2CCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000179386410 333025229 /nfs/dbraw/zinc/02/52/29/333025229.db2.gz ZPMTZNVBIVPBEK-ZDUSSCGKSA-N -1 1 306.365 3.564 20 0 DHADMM O=C(NCc1ccc(Cl)cc1Cl)c1ccc([O-])cc1F ZINC000181036897 333029291 /nfs/dbraw/zinc/02/92/91/333029291.db2.gz AWKAGRVSBJHBAQ-UHFFFAOYSA-N -1 1 314.143 3.768 20 0 DHADMM O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc([O-])cc1F ZINC000181100115 333029528 /nfs/dbraw/zinc/02/95/28/333029528.db2.gz SWFABEFNOCKEDQ-UHFFFAOYSA-N -1 1 315.222 3.682 20 0 DHADMM C[C@H](NC(=O)c1ccc([O-])cc1F)c1nc(C(C)(C)C)cs1 ZINC000181211241 333029661 /nfs/dbraw/zinc/02/96/61/333029661.db2.gz WBJJUBOBUNBNCQ-VIFPVBQESA-N -1 1 322.405 3.776 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1F ZINC000460428714 333084990 /nfs/dbraw/zinc/08/49/90/333084990.db2.gz PMHFMLXXHYCGPH-UHFFFAOYSA-N -1 1 311.353 3.691 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc(C)c1F ZINC000460437985 333087252 /nfs/dbraw/zinc/08/72/52/333087252.db2.gz QHRBLPWFSMLACH-UHFFFAOYSA-N -1 1 318.373 3.725 20 0 DHADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)cc1 ZINC000319242659 333277282 /nfs/dbraw/zinc/27/72/82/333277282.db2.gz XDIPIUHFANAYOX-LBPRGKRZSA-N -1 1 321.446 3.847 20 0 DHADMM O=C(c1ccccc1[O-])N1CCc2c1cccc2C(F)(F)F ZINC000185794085 333371036 /nfs/dbraw/zinc/37/10/36/333371036.db2.gz ZHWZWHLCCYPAIH-UHFFFAOYSA-N -1 1 307.271 3.614 20 0 DHADMM COc1cc(NC(=O)c2ccc([O-])cc2F)ccc1OC(C)C ZINC000185829784 333371293 /nfs/dbraw/zinc/37/12/93/333371293.db2.gz SILAMIJMKDUPKS-UHFFFAOYSA-N -1 1 319.332 3.579 20 0 DHADMM CC[C@H]1[C@H](C)CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000187410713 333454927 /nfs/dbraw/zinc/45/49/27/333454927.db2.gz XAPALAPXERHMEL-SKDRFNHKSA-N -1 1 301.308 3.672 20 0 DHADMM O=C([O-])C[C@H](NCc1cc(Cl)ccc1F)c1ccsc1 ZINC000426684095 333521053 /nfs/dbraw/zinc/52/10/53/333521053.db2.gz XFNAEQRRGSZNBL-ZDUSSCGKSA-N -1 1 313.781 3.846 20 0 DHADMM Cc1cccc([C@@H](NCc2ccccc2Cl)C(=O)[O-])c1C ZINC000426733392 333531179 /nfs/dbraw/zinc/53/11/79/333531179.db2.gz MIKFTPFBNRQYJD-MRXNPFEDSA-N -1 1 303.789 3.872 20 0 DHADMM Cc1cc(O[C@H](C)C(=O)Nc2ccc(F)cc2[O-])ccc1Cl ZINC000531756415 333552378 /nfs/dbraw/zinc/55/23/78/333552378.db2.gz FKPGLEZOUPDXRF-SNVBAGLBSA-N -1 1 323.751 3.899 20 0 DHADMM CC1(C)CC=C(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CC1 ZINC000411400106 333665082 /nfs/dbraw/zinc/66/50/82/333665082.db2.gz NERJHBANZIDREB-UHFFFAOYSA-N -1 1 311.385 3.857 20 0 DHADMM O=C(NCc1coc2ccccc12)c1cc(Cl)ccc1[O-] ZINC000436645939 333985403 /nfs/dbraw/zinc/98/54/03/333985403.db2.gz FMOJBSNOEPCTML-UHFFFAOYSA-N -1 1 301.729 3.722 20 0 DHADMM CN(Cc1ccc2ccccc2c1)C(=O)c1ccc([O-])cc1F ZINC000436863818 334012463 /nfs/dbraw/zinc/01/24/63/334012463.db2.gz WGZLRGQOFAGEFR-UHFFFAOYSA-N -1 1 309.340 3.957 20 0 DHADMM CC(=O)Nc1ccc([O-])c(-c2nc([C@H](C)C(C)(C)C)no2)c1 ZINC000436934241 334017872 /nfs/dbraw/zinc/01/78/72/334017872.db2.gz WHXJJCSIFGUPLG-VIFPVBQESA-N -1 1 303.362 3.550 20 0 DHADMM CC(C)c1scnc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000436957204 334021033 /nfs/dbraw/zinc/02/10/33/334021033.db2.gz WNPJCAIMOYIDEU-UHFFFAOYSA-N -1 1 305.334 3.828 20 0 DHADMM Cc1cccc(C)c1CS(=O)(=O)[N-]c1ncc(Cl)cc1C ZINC000296082662 334229741 /nfs/dbraw/zinc/22/97/41/334229741.db2.gz WAWAULCGOIZVIP-UHFFFAOYSA-N -1 1 324.833 3.602 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1F ZINC000048653293 334290895 /nfs/dbraw/zinc/29/08/95/334290895.db2.gz CYWQCDKESRZIAK-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1F ZINC000048652527 334291085 /nfs/dbraw/zinc/29/10/85/334291085.db2.gz YBLLKVZYGYYVEX-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)cc1C ZINC000048655432 334293764 /nfs/dbraw/zinc/29/37/64/334293764.db2.gz YUBJDCIZXBCVNW-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM O=C(CCOc1ccccc1F)Nc1ccc([O-])c(Cl)c1 ZINC000111668116 334352797 /nfs/dbraw/zinc/35/27/97/334352797.db2.gz ZEJVMNVWNPTKEA-UHFFFAOYSA-N -1 1 309.724 3.592 20 0 DHADMM COc1cccc(CCC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000111668402 334352962 /nfs/dbraw/zinc/35/29/62/334352962.db2.gz OTTDUQPUHHSNSJ-UHFFFAOYSA-N -1 1 305.761 3.626 20 0 DHADMM COc1cc(C(=O)N2C[C@@H](C)CC(C)(C)C2)cc(Cl)c1[O-] ZINC000443132841 338445384 /nfs/dbraw/zinc/44/53/84/338445384.db2.gz MQRSYFAEZCUVPT-JTQLQIEISA-N -1 1 311.809 3.562 20 0 DHADMM COc1cc(C(=O)N2C[C@H](C)CC(C)(C)C2)cc(Cl)c1[O-] ZINC000443132842 338445386 /nfs/dbraw/zinc/44/53/86/338445386.db2.gz MQRSYFAEZCUVPT-SNVBAGLBSA-N -1 1 311.809 3.562 20 0 DHADMM O=S(=O)([N-]c1ccc(-c2ccc[nH]2)cc1)c1cccc(F)c1 ZINC000341938613 334494166 /nfs/dbraw/zinc/49/41/66/334494166.db2.gz DJTZNQRTXMDTQO-UHFFFAOYSA-N -1 1 316.357 3.622 20 0 DHADMM CCc1c(C)sc2[nH]c(-c3ccc([O-])cc3Cl)nc(=O)c12 ZINC000190096417 334921992 /nfs/dbraw/zinc/92/19/92/334921992.db2.gz YCNVSCCBRKZQDL-UHFFFAOYSA-N -1 1 320.801 3.881 20 0 DHADMM Cc1noc(C)c1[N-]C(=O)c1coc(-c2ccccc2Cl)n1 ZINC000345388453 335322372 /nfs/dbraw/zinc/32/23/72/335322372.db2.gz YGDGFXUNSZFCNQ-UHFFFAOYSA-N -1 1 317.732 3.852 20 0 DHADMM O=c1cc(C(F)(F)F)nc(CNc2cccc(F)c2Cl)[n-]1 ZINC000345404091 335323658 /nfs/dbraw/zinc/32/36/58/335323658.db2.gz LSQVZZJWPWPLRR-UHFFFAOYSA-N -1 1 321.661 3.606 20 0 DHADMM CCc1nc(C)c(-c2nc(-c3ccc([O-])c(F)c3)no2)s1 ZINC000445476318 338496010 /nfs/dbraw/zinc/49/60/10/338496010.db2.gz BDGIJFXDHGEYEM-UHFFFAOYSA-N -1 1 305.334 3.576 20 0 DHADMM COc1ccc(-c2nc(-c3ccc4c(c3)CCC4)no2)c([O-])c1 ZINC000323969871 335734385 /nfs/dbraw/zinc/73/43/85/335734385.db2.gz AAFRJTITOCHIRP-UHFFFAOYSA-N -1 1 308.337 3.607 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2cscc2C)cc1CC ZINC000535991653 335807543 /nfs/dbraw/zinc/80/75/43/335807543.db2.gz UAHQSEYEWFIHKY-UHFFFAOYSA-N -1 1 309.456 3.982 20 0 DHADMM CN(Cc1ccc(O)cc1)C(=O)c1ccc2ccccc2c1[O-] ZINC000194350806 338515817 /nfs/dbraw/zinc/51/58/17/338515817.db2.gz SPMNMWRIWBKXBC-UHFFFAOYSA-N -1 1 307.349 3.523 20 0 DHADMM CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000332336072 336168883 /nfs/dbraw/zinc/16/88/83/336168883.db2.gz QCHVPPPJDWXTRN-JSGCOSHPSA-N -1 1 321.808 3.759 20 0 DHADMM Cc1cnc(C(=O)N2CC=C(c3cc(C)cc(C)c3)CC2)c([O-])c1 ZINC000332399361 336170981 /nfs/dbraw/zinc/17/09/81/336170981.db2.gz UWQDGBOOQXGTJO-UHFFFAOYSA-N -1 1 322.408 3.642 20 0 DHADMM Cc1nc(SCc2noc(C3CCCCC3)n2)[n-]c(=O)c1C ZINC000332672954 336178332 /nfs/dbraw/zinc/17/83/32/336178332.db2.gz NLFKHFGUELWHFR-UHFFFAOYSA-N -1 1 320.418 3.522 20 0 DHADMM O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1c[nH]c2ccccc2c1=O ZINC000332794401 336185109 /nfs/dbraw/zinc/18/51/09/336185109.db2.gz HNTXWHWRJZDIRD-SOUVJXGZSA-N -1 1 324.424 3.617 20 0 DHADMM O=C(c1ccc(Br)c([O-])c1)N1CCCC2(CCC2)C1 ZINC000352173172 336198945 /nfs/dbraw/zinc/19/89/45/336198945.db2.gz YPHYGGHRERORQH-UHFFFAOYSA-N -1 1 324.218 3.561 20 0 DHADMM Cc1ccc(F)c([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000103057896 336237526 /nfs/dbraw/zinc/23/75/26/336237526.db2.gz VHWKCWAWZZBSJB-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM CC(=O)[C@H]1C[C@@H](CC(=O)Nc2ccc([O-])c(Cl)c2)C1(C)C ZINC000353991921 336453102 /nfs/dbraw/zinc/45/31/02/336453102.db2.gz FLHGOYKCXKTGOC-CMPLNLGQSA-N -1 1 309.793 3.626 20 0 DHADMM CCc1nc(C(=O)[N-]c2c(C)noc2-c2ccccc2)c(C)o1 ZINC000354792782 336482522 /nfs/dbraw/zinc/48/25/22/336482522.db2.gz VGFHIPWONXAVDT-UHFFFAOYSA-N -1 1 311.341 3.761 20 0 DHADMM Cc1ccc(-c2ccc(C)c(NC(=O)c3cncc([O-])c3)c2)o1 ZINC000355520598 336512792 /nfs/dbraw/zinc/51/27/92/336512792.db2.gz KBEQXONDABGPDT-UHFFFAOYSA-N -1 1 308.337 3.916 20 0 DHADMM Cc1cc(-c2nc3ccc(-c4ccccc4)cc3c(=O)[n-]2)no1 ZINC000358831771 336644383 /nfs/dbraw/zinc/64/43/83/336644383.db2.gz QRQIZGPUSOFMNL-UHFFFAOYSA-N -1 1 303.321 3.966 20 0 DHADMM O=C(N[C@@H](Cc1ccccc1)c1cccs1)c1cncc([O-])c1 ZINC000116981476 336850348 /nfs/dbraw/zinc/85/03/48/336850348.db2.gz BLCDJVLBXVIBPA-INIZCTEOSA-N -1 1 324.405 3.563 20 0 DHADMM [O-]c1ccc(-c2noc([C@@H]3C[C@H]3c3cccnc3)n2)c(Cl)c1 ZINC000373157912 336950183 /nfs/dbraw/zinc/95/01/83/336950183.db2.gz IDNVYTDYHLZQIW-QWHCGFSZSA-N -1 1 313.744 3.762 20 0 DHADMM [O-]c1ccc(-c2noc([C@@H]3C[C@@H]3c3ccco3)n2)c(Cl)c1 ZINC000373168857 336950423 /nfs/dbraw/zinc/95/04/23/336950423.db2.gz CNDDAMRPEXGTBG-WDEREUQCSA-N -1 1 302.717 3.960 20 0 DHADMM Cc1ccc(-c2cnccn2)cc1NC(=O)c1ccc([O-])cc1F ZINC000373624154 336967014 /nfs/dbraw/zinc/96/70/14/336967014.db2.gz OPWHJJGIGDULCJ-UHFFFAOYSA-N -1 1 323.327 3.549 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)cc1C ZINC000193484349 337007711 /nfs/dbraw/zinc/00/77/11/337007711.db2.gz BKIVYZRTWJQLIZ-UHFFFAOYSA-N -1 1 300.383 3.586 20 0 DHADMM CC(F)(F)C(=O)[N-][C@@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000377407084 337052098 /nfs/dbraw/zinc/05/20/98/337052098.db2.gz HSXYPDQIGPMXDM-MRVPVSSYSA-N -1 1 310.127 3.588 20 0 DHADMM O=C(NCC1CC(c2ccccc2)C1)c1c(F)ccc([O-])c1F ZINC000377835562 337062010 /nfs/dbraw/zinc/06/20/10/337062010.db2.gz UXWWTPUMUBTMTH-UHFFFAOYSA-N -1 1 317.335 3.594 20 0 DHADMM C[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)n1cnc2ccccc21 ZINC000182864479 337190426 /nfs/dbraw/zinc/19/04/26/337190426.db2.gz WTRAAUPWZDFHKN-SNVBAGLBSA-N -1 1 315.760 3.595 20 0 DHADMM Oc1cc(F)cc(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000186165230 337254062 /nfs/dbraw/zinc/25/40/62/337254062.db2.gz YWHCMECCGWLPEE-MRXNPFEDSA-N -1 1 321.417 3.774 20 0 DHADMM Cc1csc([C@@H]2CCCN(Cc3cc(O)cc(F)c3)C2)n1 ZINC000186205702 337254705 /nfs/dbraw/zinc/25/47/05/337254705.db2.gz ZZVHRYLLFZNNMR-CYBMUJFWSA-N -1 1 306.406 3.676 20 0 DHADMM CCOc1cc(C(=O)N2CCCC[C@@H](C)C2)cc(Cl)c1[O-] ZINC000186434528 337256186 /nfs/dbraw/zinc/25/61/86/337256186.db2.gz OVOLPSFYQSRRLB-LLVKDONJSA-N -1 1 311.809 3.707 20 0 DHADMM CCOc1cc(C(=O)N2CCC[C@@H](C)CC2)cc(Cl)c1[O-] ZINC000186716412 337258858 /nfs/dbraw/zinc/25/88/58/337258858.db2.gz XOODZVPPPVWYPM-LLVKDONJSA-N -1 1 311.809 3.707 20 0 DHADMM CCOc1cc(C(=O)N2C[C@H](C)CC[C@@H]2C)cc(Cl)c1[O-] ZINC000186843014 337260618 /nfs/dbraw/zinc/26/06/18/337260618.db2.gz GNXBJGFBJSHOEQ-MNOVXSKESA-N -1 1 311.809 3.705 20 0 DHADMM CSc1ccc([N-]S(=O)(=O)c2cc(C)sc2C)cc1 ZINC000028810744 337388664 /nfs/dbraw/zinc/38/86/64/337388664.db2.gz QRANTMKULVBEJX-UHFFFAOYSA-N -1 1 313.469 3.888 20 0 DHADMM CCO[C@H](Cc1nc(-c2ccc([O-])c(F)c2)no1)C1=CCCC1 ZINC000445476478 337509047 /nfs/dbraw/zinc/50/90/47/337509047.db2.gz CYUXVPMKJSUEKT-OAHLLOKOSA-N -1 1 318.348 3.639 20 0 DHADMM CCOc1cc(-c2noc(Cc3ccoc3)n2)cc(Cl)c1[O-] ZINC000445412350 337682444 /nfs/dbraw/zinc/68/24/44/337682444.db2.gz NVDYSJUZFRDSBG-UHFFFAOYSA-N -1 1 320.732 3.678 20 0 DHADMM CC(C)c1cc(-c2nc(-c3ccc([O-])cc3Cl)no2)on1 ZINC000445445272 337841917 /nfs/dbraw/zinc/84/19/17/337841917.db2.gz IUNKHDYVYVIZSQ-UHFFFAOYSA-N -1 1 305.721 3.874 20 0 DHADMM CCOc1cccnc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445447788 337847705 /nfs/dbraw/zinc/84/77/05/337847705.db2.gz PZIXUNIDMHMBFV-UHFFFAOYSA-N -1 1 317.732 3.556 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)c(F)c1 ZINC000121440186 337893022 /nfs/dbraw/zinc/89/30/22/337893022.db2.gz PSLYKNPNLGUWGU-UHFFFAOYSA-N -1 1 315.316 3.522 20 0 DHADMM C[C@H](c1cccnc1)N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000122111566 337907500 /nfs/dbraw/zinc/90/75/00/337907500.db2.gz UTPCKDIWBIRVEJ-CYBMUJFWSA-N -1 1 306.365 3.774 20 0 DHADMM CCCc1nc(C)c(CSc2nc(C(F)F)cc(=O)[n-]2)o1 ZINC000515172739 337981581 /nfs/dbraw/zinc/98/15/81/337981581.db2.gz DQNIFYRYBAXJMP-UHFFFAOYSA-N -1 1 315.345 3.661 20 0 DHADMM O=C([O-])c1ccccc1CCN1CCc2sc(Cl)cc2C1 ZINC000516301672 338010151 /nfs/dbraw/zinc/01/01/51/338010151.db2.gz XNNLPICFEOEJSW-UHFFFAOYSA-N -1 1 321.829 3.701 20 0 DHADMM CCSc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cn1 ZINC000445452407 338016666 /nfs/dbraw/zinc/01/66/66/338016666.db2.gz CIHGJBJTJNSNOA-UHFFFAOYSA-N -1 1 317.345 3.755 20 0 DHADMM [O-]c1ccc(-c2noc(-c3ccc4ncsc4c3)n2)c(F)c1 ZINC000445455423 338017282 /nfs/dbraw/zinc/01/72/82/338017282.db2.gz KDHBNOJKEUVDCD-UHFFFAOYSA-N -1 1 313.313 3.858 20 0 DHADMM [O-]c1ccc(F)cc1-c1nc(-c2ccc(O)cc2Cl)no1 ZINC000445455403 338017309 /nfs/dbraw/zinc/01/73/09/338017309.db2.gz POCQUCRAINIMKN-UHFFFAOYSA-N -1 1 306.680 3.607 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cncc4ccccc43)n2)c(F)c1 ZINC000445455101 338017342 /nfs/dbraw/zinc/01/73/42/338017342.db2.gz NZTQPDDXVBSXRC-UHFFFAOYSA-N -1 1 307.284 3.797 20 0 DHADMM CCCc1ncc(-c2nc(-c3ccc([O-])cc3F)no2)s1 ZINC000445458750 338018120 /nfs/dbraw/zinc/01/81/20/338018120.db2.gz YYMAPYICKZHGJF-UHFFFAOYSA-N -1 1 305.334 3.657 20 0 DHADMM Cc1ccc(OCc2nc(-c3ccc([O-])cc3F)no2)cc1C ZINC000445460512 338020563 /nfs/dbraw/zinc/02/05/63/338020563.db2.gz ROXRJUQALVTIOX-UHFFFAOYSA-N -1 1 314.316 3.777 20 0 DHADMM COc1cc(-c2nc(-c3ccc([O-])cc3F)no2)ccc1Cl ZINC000445461365 338022227 /nfs/dbraw/zinc/02/22/27/338022227.db2.gz GVRIOWWWSYCXQL-UHFFFAOYSA-N -1 1 320.707 3.910 20 0 DHADMM C[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1ncccc1[O-] ZINC000426414828 338031330 /nfs/dbraw/zinc/03/13/30/338031330.db2.gz BKNLVAZVBBCTEF-JTQLQIEISA-N -1 1 324.302 3.639 20 0 DHADMM Cc1cnc(C(=O)N[C@@H](CC(F)(F)F)c2ccccc2)c([O-])c1 ZINC000426631884 338036710 /nfs/dbraw/zinc/03/67/10/338036710.db2.gz ZYJJTQGCPLXUSR-LBPRGKRZSA-N -1 1 324.302 3.519 20 0 DHADMM CCc1cccc(Cl)c1CNCc1ccccc1CC(=O)[O-] ZINC000426708175 338038795 /nfs/dbraw/zinc/03/87/95/338038795.db2.gz HMLXIOFIYYHKKL-UHFFFAOYSA-N -1 1 317.816 3.819 20 0 DHADMM Cc1cccc([C@H](NCc2ccccc2Cl)C(=O)[O-])c1C ZINC000426733391 338039807 /nfs/dbraw/zinc/03/98/07/338039807.db2.gz MIKFTPFBNRQYJD-INIZCTEOSA-N -1 1 303.789 3.872 20 0 DHADMM COc1ccc(C)cc1CN[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000426734896 338039852 /nfs/dbraw/zinc/03/98/52/338039852.db2.gz BVOAZJUQRJPOPT-MRXNPFEDSA-N -1 1 319.788 3.573 20 0 DHADMM CCOc1cc(C(=O)N(C)[C@@H]2CC[C@@H](C)C2)cc(Cl)c1[O-] ZINC000430471701 338107556 /nfs/dbraw/zinc/10/75/56/338107556.db2.gz UZFSKVKHJSEWCV-ZYHUDNBSSA-N -1 1 311.809 3.705 20 0 DHADMM O=S(=O)([N-]c1cc(F)cc(F)c1F)c1ccccc1Cl ZINC000431167615 338124676 /nfs/dbraw/zinc/12/46/76/338124676.db2.gz MBXGRGOYJCLPAP-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM COC(=O)c1c[n-]c(S[C@@H]2CCc3ccc(Cl)cc32)n1 ZINC000432671915 338162184 /nfs/dbraw/zinc/16/21/84/338162184.db2.gz XCGUFGPKXQZPFY-GFCCVEGCSA-N -1 1 308.790 3.629 20 0 DHADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)C1CCCCCC1 ZINC000433027523 338177231 /nfs/dbraw/zinc/17/72/31/338177231.db2.gz VVCDVBQXKXDTKD-UHFFFAOYSA-N -1 1 306.431 3.691 20 0 DHADMM CCCCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435423150 338239733 /nfs/dbraw/zinc/23/97/33/338239733.db2.gz RZYGNXOLVQVXFA-UHFFFAOYSA-N -1 1 314.209 3.601 20 0 DHADMM O=C(NCC1CCC(F)(F)CC1)c1ccc(Cl)cc1[O-] ZINC000436510671 338274719 /nfs/dbraw/zinc/27/47/19/338274719.db2.gz DZJFPYNYCFJJSJ-UHFFFAOYSA-N -1 1 303.736 3.601 20 0 DHADMM CC[C@H]1C[C@]1(NC(=O)c1ccc([O-])cc1F)c1cccc(C)c1 ZINC000436510929 338274727 /nfs/dbraw/zinc/27/47/27/338274727.db2.gz JSHAOUQFGREYJL-ORAYPTAESA-N -1 1 313.372 3.895 20 0 DHADMM COc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1Cl ZINC000436520762 338274955 /nfs/dbraw/zinc/27/49/55/338274955.db2.gz JBKAIZUOUANJTH-UHFFFAOYSA-N -1 1 320.707 3.910 20 0 DHADMM CC(C)N(Cc1ccc(F)cc1)C(=O)c1cc(F)ccc1[O-] ZINC000436541258 338276052 /nfs/dbraw/zinc/27/60/52/338276052.db2.gz WYSIAPDHJDDINS-UHFFFAOYSA-N -1 1 305.324 3.721 20 0 DHADMM CC(C)c1ccc(C(=O)N2CCN(C)c3ccccc32)c([O-])c1 ZINC000436560012 338277134 /nfs/dbraw/zinc/27/71/34/338277134.db2.gz ZPFDNXFLOCHBOI-UHFFFAOYSA-N -1 1 310.397 3.612 20 0 DHADMM C[C@H](CCc1cccn1C)NC(=O)c1ccc2ccccc2c1[O-] ZINC000436568043 338277498 /nfs/dbraw/zinc/27/74/98/338277498.db2.gz UZIZOEYGRNATLZ-CQSZACIVSA-N -1 1 322.408 3.635 20 0 DHADMM COc1ccc(NC(=O)c2ccc3ccccc3c2[O-])c(C)n1 ZINC000436592220 338279016 /nfs/dbraw/zinc/27/90/16/338279016.db2.gz ZRNDZYSCXCLTHY-UHFFFAOYSA-N -1 1 308.337 3.510 20 0 DHADMM C[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000436600909 338279533 /nfs/dbraw/zinc/27/95/33/338279533.db2.gz GTUQGRNJBALNKQ-CYBMUJFWSA-N -1 1 321.376 3.612 20 0 DHADMM O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1c([O-])cccc1F ZINC000436615140 338280058 /nfs/dbraw/zinc/28/00/58/338280058.db2.gz CGJATYXSFCRBRY-UWVGGRQHSA-N -1 1 319.298 3.630 20 0 DHADMM CC(C)Oc1ccc(NC(=O)c2ccc(O)cc2[O-])cc1Cl ZINC000436651629 338281564 /nfs/dbraw/zinc/28/15/64/338281564.db2.gz XHBPGKIYGOBRCE-UHFFFAOYSA-N -1 1 321.760 3.791 20 0 DHADMM C[C@H](NC(=O)c1ccc([O-])cc1F)c1ccc2ncsc2c1 ZINC000436683123 338282742 /nfs/dbraw/zinc/28/27/42/338282742.db2.gz SPQSBSIULPNOPM-VIFPVBQESA-N -1 1 316.357 3.632 20 0 DHADMM CCCc1nc(C)c(CNC(=O)c2cc3ccccc3cc2[O-])o1 ZINC000436689251 338282947 /nfs/dbraw/zinc/28/29/47/338282947.db2.gz MUSDNGVREFKGIN-UHFFFAOYSA-N -1 1 324.380 3.724 20 0 DHADMM COc1cc(O)cc(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000436704224 338283344 /nfs/dbraw/zinc/28/33/44/338283344.db2.gz GKFBEDPGNYRZRE-UHFFFAOYSA-N -1 1 309.321 3.512 20 0 DHADMM Cc1c(NC(=O)C(=O)c2ccc([O-])cc2)cccc1C(F)(F)F ZINC000436705203 338283464 /nfs/dbraw/zinc/28/34/64/338283464.db2.gz OHUXIGFCEOIEET-UHFFFAOYSA-N -1 1 323.270 3.541 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H]1Cc1ccccc1 ZINC000436723760 338284123 /nfs/dbraw/zinc/28/41/23/338284123.db2.gz VZQFRHBFBKFONF-HNNXBMFYSA-N -1 1 315.800 3.893 20 0 DHADMM CC(C)CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1CC1 ZINC000436751937 338285414 /nfs/dbraw/zinc/28/54/14/338285414.db2.gz OVQKCPVXEMXPDR-UHFFFAOYSA-N -1 1 301.308 3.672 20 0 DHADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C(C)(C)C1 ZINC000436749992 338285474 /nfs/dbraw/zinc/28/54/74/338285474.db2.gz DDKRIXLBHROTDW-VIFPVBQESA-N -1 1 301.308 3.672 20 0 DHADMM CCC[C@H]1SCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436753871 338285521 /nfs/dbraw/zinc/28/55/21/338285521.db2.gz WFZUVCRSCUEELA-GFCCVEGCSA-N -1 1 319.348 3.726 20 0 DHADMM CCN(C(=O)c1ccccc1[O-])c1ccc(Br)cc1 ZINC000436753300 338285599 /nfs/dbraw/zinc/28/55/99/338285599.db2.gz CKLKRWWUAVLOTL-UHFFFAOYSA-N -1 1 320.186 3.821 20 0 DHADMM O=C(N[C@@H]1CCCC(F)(F)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436753893 338285674 /nfs/dbraw/zinc/28/56/74/338285674.db2.gz WHXFQBYPECIOHL-SECBINFHSA-N -1 1 323.261 3.719 20 0 DHADMM CCOc1ccccc1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000436765008 338286404 /nfs/dbraw/zinc/28/64/04/338286404.db2.gz OGLLEHXZROCOGG-UHFFFAOYSA-N -1 1 321.760 3.705 20 0 DHADMM CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436769972 338286640 /nfs/dbraw/zinc/28/66/40/338286640.db2.gz PJGXJXZYCRCNGO-GXSJLCMTSA-N -1 1 301.308 3.814 20 0 DHADMM COc1cc(Cl)c(NC(=O)c2ccc([O-])cc2F)cc1C ZINC000436778680 338286923 /nfs/dbraw/zinc/28/69/23/338286923.db2.gz HLICUWLUJUSWAG-UHFFFAOYSA-N -1 1 309.724 3.754 20 0 DHADMM CCc1nn(C)cc1-c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000436785406 338287237 /nfs/dbraw/zinc/28/72/37/338287237.db2.gz DPNPKPJFUOQDMQ-UHFFFAOYSA-N -1 1 320.352 3.558 20 0 DHADMM C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1ccc([O-])cc1F ZINC000436786321 338287262 /nfs/dbraw/zinc/28/72/62/338287262.db2.gz XILWJNCFWWOJDD-ZFWWWQNUSA-N -1 1 313.372 3.940 20 0 DHADMM O=C(Nc1cccc(NCC(F)(F)F)c1)c1ccccc1[O-] ZINC000436789516 338287443 /nfs/dbraw/zinc/28/74/43/338287443.db2.gz DKBQCFTXZNIORA-UHFFFAOYSA-N -1 1 310.275 3.619 20 0 DHADMM CC(C)C[C@@H](C)n1nccc1NC(=O)c1ccc([O-])cc1F ZINC000436789050 338287478 /nfs/dbraw/zinc/28/74/78/338287478.db2.gz BTMXUHVTPOXSEL-LLVKDONJSA-N -1 1 305.353 3.587 20 0 DHADMM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccc([O-])cc1F ZINC000436793722 338287561 /nfs/dbraw/zinc/28/75/61/338287561.db2.gz SLKVRWHBCVGDKC-XNJGSVPQSA-N -1 1 313.372 3.938 20 0 DHADMM O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)c1cc(Cl)ccc1[O-] ZINC000436798794 338287860 /nfs/dbraw/zinc/28/78/60/338287860.db2.gz VNSRTQMTDGSQIN-RNCFNFMXSA-N -1 1 323.726 3.610 20 0 DHADMM O=C(Nc1c2c(cc3c1CCC3)CCC2)c1ccc([O-])cc1F ZINC000436819262 338288427 /nfs/dbraw/zinc/28/84/27/338288427.db2.gz XRRMNAIZGITFAL-UHFFFAOYSA-N -1 1 311.356 3.761 20 0 DHADMM O=C(N[C@H](c1cccnc1)C1CC1)c1cc2ccccc2cc1[O-] ZINC000436823521 338288685 /nfs/dbraw/zinc/28/86/85/338288685.db2.gz BMTXTQRWDHJVCB-IBGZPJMESA-N -1 1 318.376 3.822 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCCc2occc2C1 ZINC000436857552 338290179 /nfs/dbraw/zinc/29/01/79/338290179.db2.gz QIFMDMOXYKIBBW-UHFFFAOYSA-N -1 1 307.349 3.727 20 0 DHADMM [O-]c1ccc(-c2noc([C@@H]3CCC(F)(F)C3)n2)c(Cl)c1 ZINC000436873973 338290985 /nfs/dbraw/zinc/29/09/85/338290985.db2.gz RJRWBHOSOVETJA-SSDOTTSWSA-N -1 1 300.692 3.998 20 0 DHADMM CC(C)(C)OC1CC(Cc2nc(-c3ccc([O-])c(F)c3)no2)C1 ZINC000436878995 338291513 /nfs/dbraw/zinc/29/15/13/338291513.db2.gz LSHOIZCETORMBI-UHFFFAOYSA-N -1 1 320.364 3.718 20 0 DHADMM C[C@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436893325 338292258 /nfs/dbraw/zinc/29/22/58/338292258.db2.gz MWLCSVAJMGVLCN-GFCCVEGCSA-N -1 1 323.348 3.541 20 0 DHADMM O=C(Nc1cccc2[nH]c(=O)oc21)c1cc2ccccc2cc1[O-] ZINC000436932868 338294266 /nfs/dbraw/zinc/29/42/66/338294266.db2.gz RFHPGVMESMACHD-UHFFFAOYSA-N -1 1 320.304 3.645 20 0 DHADMM [O-]c1ccc(Oc2ccccc2)cc1-c1nc(-c2ccon2)no1 ZINC000436946910 338295277 /nfs/dbraw/zinc/29/52/77/338295277.db2.gz CLJSVUYIKJFIPW-UHFFFAOYSA-N -1 1 321.292 3.890 20 0 DHADMM Cc1cccc(C2(c3noc(-c4ccc([O-])cc4F)n3)CC2)c1 ZINC000436956147 338295938 /nfs/dbraw/zinc/29/59/38/338295938.db2.gz PBZCQZWUUDNKKN-UHFFFAOYSA-N -1 1 310.328 3.970 20 0 DHADMM CCOc1cc(-c2noc(C[C@@H]3C[C@H]3C)n2)cc(Cl)c1[O-] ZINC000436956784 338295955 /nfs/dbraw/zinc/29/59/55/338295955.db2.gz UGULUPUBQRYTCS-BDAKNGLRSA-N -1 1 308.765 3.693 20 0 DHADMM O=C(N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)c1c([O-])cccc1F ZINC000437005101 338297479 /nfs/dbraw/zinc/29/74/79/338297479.db2.gz VENDYNKZUYVMAX-TZMCWYRMSA-N -1 1 317.335 3.737 20 0 DHADMM Cc1ccc(F)c(CN(C)C(=O)c2ccc(Cl)cc2[O-])c1 ZINC000437007088 338297590 /nfs/dbraw/zinc/29/75/90/338297590.db2.gz ZUIBTCZACCDHOH-UHFFFAOYSA-N -1 1 307.752 3.765 20 0 DHADMM CC(C)[C@@H](CC(F)(F)F)NC(=O)c1ccc(Cl)cc1[O-] ZINC000438600989 338349599 /nfs/dbraw/zinc/34/95/99/338349599.db2.gz OOMICDHZIMLVKJ-SNVBAGLBSA-N -1 1 309.715 3.752 20 0 DHADMM CC(C)C[C@@H](NC(=O)c1cncc([O-])c1)c1ccc(Cl)cc1 ZINC000439313420 338366688 /nfs/dbraw/zinc/36/66/88/338366688.db2.gz CWEMPHJAUHIZSB-MRXNPFEDSA-N -1 1 318.804 3.958 20 0 DHADMM O=S(=O)([N-]c1cccc(C(F)F)c1)c1ccc(F)cc1 ZINC000195452057 338900477 /nfs/dbraw/zinc/90/04/77/338900477.db2.gz SKKLLRRCZNQIGH-UHFFFAOYSA-N -1 1 301.289 3.564 20 0 DHADMM O=C(Nc1ccc2nccnc2c1)c1cc2ccccc2cc1[O-] ZINC000195696538 338914266 /nfs/dbraw/zinc/91/42/66/338914266.db2.gz ZZCACTRQXJISLX-UHFFFAOYSA-N -1 1 315.332 3.741 20 0 DHADMM CC[C@@H]1CCC[C@H]1CNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000456053114 338918044 /nfs/dbraw/zinc/91/80/44/338918044.db2.gz XYVAQCMAKVEJDU-MNOVXSKESA-N -1 1 311.809 3.610 20 0 DHADMM Cc1ccc(C)c([C@H]2CCCN2C(=O)c2ncc(C)cc2[O-])c1 ZINC000460128280 338935819 /nfs/dbraw/zinc/93/58/19/338935819.db2.gz KLSGQWJCDYPJOT-MRXNPFEDSA-N -1 1 310.397 3.690 20 0 DHADMM Cc1cnc(C(=O)N(C)[C@H]2CCC[C@H]2c2ccccc2)c([O-])c1 ZINC000458018852 338986119 /nfs/dbraw/zinc/98/61/19/338986119.db2.gz DHBRZLKOPZFHKJ-HOTGVXAUSA-N -1 1 310.397 3.504 20 0 DHADMM COc1ccc([N-]S(=O)(=O)c2ccccc2C(C)C)cc1F ZINC000468546887 339265855 /nfs/dbraw/zinc/26/58/55/339265855.db2.gz FWAVWQGJBZFKCP-UHFFFAOYSA-N -1 1 323.389 3.759 20 0 DHADMM C[C@@H]1C[C@H]1[C@@H](NC(=O)c1cncc([O-])c1)c1ccc(Cl)cc1 ZINC000469716481 339296342 /nfs/dbraw/zinc/29/63/42/339296342.db2.gz SYNJAIOFJYERGW-GTTSAUCSSA-N -1 1 316.788 3.568 20 0 DHADMM CCc1cc([N-]S(=O)(=O)c2ccc(COC)cc2)ccc1C ZINC000477315445 339492298 /nfs/dbraw/zinc/49/22/98/339492298.db2.gz RETVXCLLOHHKKS-UHFFFAOYSA-N -1 1 319.426 3.505 20 0 DHADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)cc1 ZINC000485103925 339698569 /nfs/dbraw/zinc/69/85/69/339698569.db2.gz VSNVYZGSINOCAV-UHFFFAOYSA-N -1 1 311.403 3.657 20 0 DHADMM CCCCCN(C(=O)c1cc(F)cc2nn[nH]c21)[C@@H](C)CCC ZINC000503182748 340122779 /nfs/dbraw/zinc/12/27/79/340122779.db2.gz SQPCJTRNRJOPDR-LBPRGKRZSA-N -1 1 320.412 3.918 20 0 DHADMM CCc1cc(=O)[n-]c(SCc2c(Cl)cccc2OC)n1 ZINC000506443605 340194588 /nfs/dbraw/zinc/19/45/88/340194588.db2.gz MGUNFHCLDVPOHI-UHFFFAOYSA-N -1 1 310.806 3.699 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2cccc3ncccc32)cc1C ZINC000508030983 340237793 /nfs/dbraw/zinc/23/77/93/340237793.db2.gz FLTFLPQFXMYIMG-UHFFFAOYSA-N -1 1 312.394 3.652 20 0 DHADMM COc1ccccc1C(C)(C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000509171373 340263050 /nfs/dbraw/zinc/26/30/50/340263050.db2.gz MICKYXOMGMMQQI-UHFFFAOYSA-N -1 1 319.788 3.971 20 0 DHADMM COc1cccc2c1CCN(Cc1cccc([O-])c1Cl)C2 ZINC000512364812 340358924 /nfs/dbraw/zinc/35/89/24/340358924.db2.gz MTIFBCUSCUPHRX-UHFFFAOYSA-N -1 1 303.789 3.613 20 0 DHADMM COCc1ccccc1[N-]S(=O)(=O)c1ccccc1C(C)C ZINC000188947290 340523657 /nfs/dbraw/zinc/52/36/57/340523657.db2.gz NIXZPLLPVZHTNB-UHFFFAOYSA-N -1 1 319.426 3.757 20 0 DHADMM CCC[C@@H](C(=O)Nc1c(C)[n-][nH]c1=O)c1cccc(Cl)c1 ZINC000529421432 340754984 /nfs/dbraw/zinc/75/49/84/340754984.db2.gz LXVARLFZCTURRV-GFCCVEGCSA-N -1 1 307.781 3.600 20 0 DHADMM CCO[C@@H](CC)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529539125 340760939 /nfs/dbraw/zinc/76/09/39/340760939.db2.gz PVIUHBAKHYJRLG-AWEZNQCLSA-N -1 1 307.777 3.952 20 0 DHADMM CCc1c(C(=O)Nc2cccc(F)c2[O-])cnn1C1CCCC1 ZINC000530005902 340775808 /nfs/dbraw/zinc/77/58/08/340775808.db2.gz NVHILZZGMWIRQO-UHFFFAOYSA-N -1 1 317.364 3.658 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])c1ccccc1N1CCCCC1 ZINC000530006107 340775930 /nfs/dbraw/zinc/77/59/30/340775930.db2.gz OZAQVVUZVUNWHF-UHFFFAOYSA-N -1 1 314.360 3.774 20 0 DHADMM CC(=O)c1ccc(-c2nc3cc(Cl)ccc3c(=O)[n-]2)c(F)c1 ZINC000538510032 340829923 /nfs/dbraw/zinc/82/99/23/340829923.db2.gz JBRAZFKLOAUHRJ-UHFFFAOYSA-N -1 1 316.719 3.998 20 0 DHADMM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1ncccc1[O-] ZINC000127487818 340851835 /nfs/dbraw/zinc/85/18/35/340851835.db2.gz MSMNQZCISCXJIX-CQSZACIVSA-N -1 1 310.397 3.791 20 0 DHADMM Cc1ccc([C@H]2CCN(C(=O)c3cc(Cl)ccc3[O-])C2)cc1 ZINC000542456976 341008099 /nfs/dbraw/zinc/00/80/99/341008099.db2.gz ZFADOJFBKDHPRS-AWEZNQCLSA-N -1 1 315.800 3.984 20 0 DHADMM Cc1ccnc(Oc2ccc(NC(=O)c3ccccc3[O-])cc2)n1 ZINC000133068292 341153503 /nfs/dbraw/zinc/15/35/03/341153503.db2.gz ASAVCZKWRNGSCJ-UHFFFAOYSA-N -1 1 321.336 3.535 20 0 DHADMM CCc1noc(C)c1[N-]C(=O)c1coc(C2CCCCC2)n1 ZINC000547622885 341223443 /nfs/dbraw/zinc/22/34/43/341223443.db2.gz JKULBCRUWAGASQ-UHFFFAOYSA-N -1 1 303.362 3.833 20 0 DHADMM CC(C)Oc1ccccc1[C@H](C)NC(=O)c1c([O-])cccc1F ZINC000548122182 341248114 /nfs/dbraw/zinc/24/81/14/341248114.db2.gz SQKVPLMAIYJNGF-LBPRGKRZSA-N -1 1 317.360 3.810 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@](F)(c2ccccc2)C1 ZINC000564345667 341255208 /nfs/dbraw/zinc/25/52/08/341255208.db2.gz JXWUTIAAXFBQGQ-KRWDZBQOSA-N -1 1 319.763 3.757 20 0 DHADMM Cc1ccccc1C1CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000080026147 341268655 /nfs/dbraw/zinc/26/86/55/341268655.db2.gz JVEUBFXUGCCEPO-UHFFFAOYSA-N -1 1 313.372 3.860 20 0 DHADMM COc1cc(C(=O)Nc2cc(C)ccc2F)cc(Cl)c1[O-] ZINC000553537196 341431386 /nfs/dbraw/zinc/43/13/86/341431386.db2.gz FVYYRMFYUUGZGR-UHFFFAOYSA-N -1 1 309.724 3.754 20 0 DHADMM Cc1nc(S[C@@H](C)C(=O)c2cccc(Cl)c2)[n-]c(=O)c1C ZINC000565708048 341535762 /nfs/dbraw/zinc/53/57/62/341535762.db2.gz JRYQQMJCIMCFDW-JTQLQIEISA-N -1 1 322.817 3.816 20 0 DHADMM Cc1nc(-c2ccc(NC[C@@H]3C[C@H]3C3CCC3)nc2)[n-]c(=O)c1C ZINC000566851774 341569952 /nfs/dbraw/zinc/56/99/52/341569952.db2.gz CNCUCMSGFVKADW-HOTGVXAUSA-N -1 1 324.428 3.709 20 0 DHADMM O=C(c1ccc([O-])cc1F)N(Cc1ccco1)Cc1ccco1 ZINC000154785092 341596038 /nfs/dbraw/zinc/59/60/38/341596038.db2.gz FNIUZCFGOAYZFK-UHFFFAOYSA-N -1 1 315.300 3.560 20 0 DHADMM CC[C@@H](NC(=O)c1ccc([O-])cc1F)c1cc(F)ccc1F ZINC000154920086 341598142 /nfs/dbraw/zinc/59/81/42/341598142.db2.gz IEYZIFSZTXBZCY-OAHLLOKOSA-N -1 1 309.287 3.691 20 0 DHADMM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000155538029 341608931 /nfs/dbraw/zinc/60/89/31/341608931.db2.gz HOKBKNFYPKZOEO-QMMMGPOBSA-N -1 1 308.765 3.783 20 0 DHADMM CC(C)(C)c1nnc([N-]C(=O)c2cc(F)c(F)cc2F)s1 ZINC000129894003 519125921 /nfs/dbraw/zinc/12/59/21/519125921.db2.gz KKTNFYNEXUICDN-UHFFFAOYSA-N -1 1 315.320 3.505 20 0 DHADMM CC1(C)CCC[C@H](C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)C1 ZINC000339588057 520353509 /nfs/dbraw/zinc/35/35/09/520353509.db2.gz VCIDNEZIQXVUOR-ZDUSSCGKSA-N -1 1 313.401 3.937 20 0 DHADMM CC[C@H](c1ccncc1)N(CC)C(=O)c1ccc([O-])cc1F ZINC000181993081 522976127 /nfs/dbraw/zinc/97/61/27/522976127.db2.gz GIJMTDIJAOMXKK-MRXNPFEDSA-N -1 1 302.349 3.540 20 0 DHADMM CC[C@@H](c1ccncc1)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000128421420 523117554 /nfs/dbraw/zinc/11/75/54/523117554.db2.gz UFCPQKLWRJQWQR-AWEZNQCLSA-N -1 1 304.777 3.664 20 0 DHADMM C[C@@H]1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C[C@H]1C ZINC000338402953 524479768 /nfs/dbraw/zinc/47/97/68/524479768.db2.gz OCKLYONTYMJFPE-GHMZBOCLSA-N -1 1 318.804 3.712 20 0 DHADMM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1ncccc1[O-] ZINC000129524917 526051911 /nfs/dbraw/zinc/05/19/11/526051911.db2.gz KRKZUIFYLVRQBY-RYUDHWBXSA-N -1 1 318.804 3.705 20 0 DHADMM Cc1nc2ccc(NC(=O)c3c(F)ccc([O-])c3F)cc2s1 ZINC000339234300 527146881 /nfs/dbraw/zinc/14/68/81/527146881.db2.gz OYLDXSRGNSPDTC-UHFFFAOYSA-N -1 1 320.320 3.841 20 0 DHADMM O=C(Nc1ccc(OC2CCCCC2)cc1)c1cncc([O-])c1 ZINC000339955202 527245364 /nfs/dbraw/zinc/24/53/64/527245364.db2.gz CNCVQKOIDFCAKQ-UHFFFAOYSA-N -1 1 312.369 3.751 20 0 DHADMM Cn1ccc2c(NCc3cccc([O-])c3Cl)cccc2c1=O ZINC000339390215 527374387 /nfs/dbraw/zinc/37/43/87/527374387.db2.gz JOCPSEOEIOCDCB-UHFFFAOYSA-N -1 1 314.772 3.510 20 0 DHADMM O=C([O-])C[C@H]1CCCN(Cc2csc(-c3ccsc3)n2)C1 ZINC000054300420 597078637 /nfs/dbraw/zinc/07/86/37/597078637.db2.gz AIEFPSRDTCHNLF-LLVKDONJSA-N -1 1 322.455 3.558 20 0 DHADMM C[C@H](NCc1ccc(C(=O)[O-])cc1)c1cc(F)c(F)c(F)c1 ZINC000818052399 597244326 /nfs/dbraw/zinc/24/43/26/597244326.db2.gz HNYSMKPBIRFMMF-VIFPVBQESA-N -1 1 309.287 3.653 20 0 DHADMM CCSc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000821460883 607316859 /nfs/dbraw/zinc/31/68/59/607316859.db2.gz GAYLEGZDQWUNJX-UHFFFAOYSA-N -1 1 317.443 3.652 20 0 DHADMM C[C@@H](Sc1cccc(F)c1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000736193901 598242873 /nfs/dbraw/zinc/24/28/73/598242873.db2.gz UJNZIZXPTXEGRP-SECBINFHSA-N -1 1 318.352 3.998 20 0 DHADMM C[C@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1Cl ZINC000736661718 599709664 /nfs/dbraw/zinc/70/96/64/599709664.db2.gz HCXRSXZZUJLVHK-BONVTDFDSA-N -1 1 307.752 3.956 20 0 DHADMM CC[C@@H](C)N(C)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000565104447 599780524 /nfs/dbraw/zinc/78/05/24/599780524.db2.gz RLJJDRABERHVSX-LLVKDONJSA-N -1 1 304.415 3.739 20 0 DHADMM Cc1oc(CNC2(c3ccc(F)cc3)CCC2)cc1C(=O)[O-] ZINC000738983446 599780902 /nfs/dbraw/zinc/78/09/02/599780902.db2.gz RRVCRWUMCLEJNY-UHFFFAOYSA-N -1 1 303.333 3.594 20 0 DHADMM CCCN(Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)C1CC1 ZINC000574091266 600102806 /nfs/dbraw/zinc/10/28/06/600102806.db2.gz DHHVFXJPNOGLAD-UHFFFAOYSA-N -1 1 316.426 3.883 20 0 DHADMM CC(C)N(CCC(=O)[O-])Cc1csc(-c2cccs2)n1 ZINC000652479151 600220792 /nfs/dbraw/zinc/22/07/92/600220792.db2.gz MDRNIMVOEWPQGV-UHFFFAOYSA-N -1 1 310.444 3.557 20 0 DHADMM O=C([O-])CCN(Cc1cccc(F)c1)Cc1ccc(F)c(F)c1 ZINC000739723055 600329412 /nfs/dbraw/zinc/32/94/12/600329412.db2.gz CVCTYZZWJCLMIF-UHFFFAOYSA-N -1 1 323.314 3.581 20 0 DHADMM Cc1ccc2[nH]c3c(c2c1)CN([C@H](C(=O)[O-])c1ccccc1)CC3 ZINC000656769346 600405340 /nfs/dbraw/zinc/40/53/40/600405340.db2.gz YKVLKNGZGIIGBH-IBGZPJMESA-N -1 1 320.392 3.660 20 0 DHADMM C[C@@H]1SCCN(Cc2ccc(C(=O)[O-])o2)[C@@H]1c1ccccc1 ZINC000569130664 600489979 /nfs/dbraw/zinc/48/99/79/600489979.db2.gz WWGWRCBMXOSQHW-LRDDRELGSA-N -1 1 317.410 3.656 20 0 DHADMM C[C@@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1ccc(F)c(F)c1 ZINC000827718109 600732105 /nfs/dbraw/zinc/73/21/05/600732105.db2.gz OTQJZZNGZYRAGN-RFAUZJTJSA-N -1 1 309.287 3.580 20 0 DHADMM CCCOc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000578479360 600739084 /nfs/dbraw/zinc/73/90/84/600739084.db2.gz JVXUILAQVGRHGV-QGZVFWFLSA-N -1 1 317.360 3.530 20 0 DHADMM CCN(CCOc1ccc(C(=O)[O-])cc1Cl)Cc1ccoc1 ZINC000652408139 600822892 /nfs/dbraw/zinc/82/28/92/600822892.db2.gz DQWSXOPMNLGVLY-UHFFFAOYSA-N -1 1 323.776 3.532 20 0 DHADMM C[C@H]1C[C@H](c2cccc(F)c2)N(Cc2cc(C(=O)[O-])co2)C1 ZINC000578634822 600836050 /nfs/dbraw/zinc/83/60/50/600836050.db2.gz KJDZODALKNLKPI-MEDUHNTESA-N -1 1 303.333 3.700 20 0 DHADMM Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2ccc(C(=O)[O-])o2)o1 ZINC000832931478 600858246 /nfs/dbraw/zinc/85/82/46/600858246.db2.gz YMXYGMGPNIGCHN-RISCZKNCSA-N -1 1 303.358 3.852 20 0 DHADMM Cc1cccnc1[C@H](N[C@@H](C)c1ccc(C(=O)[O-])o1)C(C)C ZINC000738785047 600956383 /nfs/dbraw/zinc/95/63/83/600956383.db2.gz GGHRGYSJEQUCKG-SWLSCSKDSA-N -1 1 302.374 3.729 20 0 DHADMM CCN(Cc1cc(C(=O)[O-])oc1C)[C@@H](C)c1cccc(O)c1 ZINC000829718735 601007098 /nfs/dbraw/zinc/00/70/98/601007098.db2.gz QKNQQPUPYSYJDC-NSHDSACASA-N -1 1 303.358 3.575 20 0 DHADMM O=C([O-])c1occc1CN1CC=C(c2ccc(Cl)cc2)CC1 ZINC000833345996 601598029 /nfs/dbraw/zinc/59/80/29/601598029.db2.gz JCDGPYDHGFMSOT-UHFFFAOYSA-N -1 1 317.772 3.921 20 0 DHADMM Cc1sc(C(=O)[O-])cc1CN1CCC[C@H](C(F)(F)F)C1 ZINC000122769872 601613659 /nfs/dbraw/zinc/61/36/59/601613659.db2.gz KCOIIQGZEGETNM-JTQLQIEISA-N -1 1 307.337 3.529 20 0 DHADMM Cc1nc(C)c([C@@H](C)N(C)Cc2ccc(C(=O)[O-])c(F)c2)s1 ZINC000571346136 601632619 /nfs/dbraw/zinc/63/26/19/601632619.db2.gz YWFKOZOVMNKUFS-SNVBAGLBSA-N -1 1 322.405 3.790 20 0 DHADMM Cc1cccnc1[C@H](NCc1ccc(C(=O)[O-])c(F)c1)C(C)C ZINC000832984228 601640864 /nfs/dbraw/zinc/64/08/64/601640864.db2.gz YRBIJKCGVWCVJM-MRXNPFEDSA-N -1 1 316.376 3.714 20 0 DHADMM C[C@H](c1ccc(F)c(F)c1)N(C)Cc1ccsc1C(=O)[O-] ZINC000569011066 601805238 /nfs/dbraw/zinc/80/52/38/601805238.db2.gz WCWLOTVCQRIFCE-SECBINFHSA-N -1 1 311.353 3.918 20 0 DHADMM Cc1nc(C)c([C@@H](C)N(C)Cc2ccsc2C(=O)[O-])s1 ZINC000566802032 601824034 /nfs/dbraw/zinc/82/40/34/601824034.db2.gz SJIIWGNCULSUKR-SECBINFHSA-N -1 1 310.444 3.713 20 0 DHADMM Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccsc1C(=O)[O-])CCC2 ZINC000569229110 601825036 /nfs/dbraw/zinc/82/50/36/601825036.db2.gz HPSRNSGFRVVTHK-LBPRGKRZSA-N -1 1 322.455 3.721 20 0 DHADMM Cc1nc2c(s1)[C@@H](N(C)Cc1ccsc1C(=O)[O-])CCC2 ZINC000569229110 601825038 /nfs/dbraw/zinc/82/50/38/601825038.db2.gz HPSRNSGFRVVTHK-LBPRGKRZSA-N -1 1 322.455 3.721 20 0 DHADMM CCc1nc(C)c([C@@H](C)N(C)Cc2ccsc2C(=O)[O-])s1 ZINC000830309375 601833654 /nfs/dbraw/zinc/83/36/54/601833654.db2.gz CRJAYIAFPVJIRO-SNVBAGLBSA-N -1 1 324.471 3.967 20 0 DHADMM CCc1ncc(CN2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])s1 ZINC000833677609 604684692 /nfs/dbraw/zinc/68/46/92/604684692.db2.gz WNTAIALVRNSFOG-DZGCQCFKSA-N -1 1 322.474 3.561 20 0 DHADMM C[C@H](Oc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1)C(=O)[O-] ZINC000833538707 604710578 /nfs/dbraw/zinc/71/05/78/604710578.db2.gz VCSTZMSZSAFOIG-VIFPVBQESA-N -1 1 316.744 3.735 20 0 DHADMM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1Cc1occc1C(=O)[O-] ZINC000517382537 604721994 /nfs/dbraw/zinc/72/19/94/604721994.db2.gz YSRYLRTUPXRYIY-GHMZBOCLSA-N -1 1 303.333 3.625 20 0 DHADMM C[C@H](c1ccc(F)cc1)N(C)Cc1ccc(C(=O)[O-])cc1F ZINC000833549289 604749077 /nfs/dbraw/zinc/74/90/77/604749077.db2.gz WEUFJLYSMFCEDY-LLVKDONJSA-N -1 1 305.324 3.856 20 0 DHADMM CCOc1ccc([C@@H](C)N[C@@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC000833663858 605067008 /nfs/dbraw/zinc/06/70/08/605067008.db2.gz NKSVKJRZUZCFAU-NEPJUHHUSA-N -1 1 303.358 3.788 20 0 DHADMM CC(C)Oc1cccc([C@@H](C)NCc2occc2C(=O)[O-])c1 ZINC000833507157 605070233 /nfs/dbraw/zinc/07/02/33/605070233.db2.gz WNWSISMYUBPFNH-GFCCVEGCSA-N -1 1 303.358 3.616 20 0 DHADMM CC(C)(C(=O)[O-])[C@@H](NCc1c(F)cccc1F)c1ccccc1 ZINC000833412473 605677592 /nfs/dbraw/zinc/67/75/92/605677592.db2.gz AFDKMABSXWYVJX-INIZCTEOSA-N -1 1 319.351 3.907 20 0 DHADMM CCCCCNc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000821056858 606446883 /nfs/dbraw/zinc/44/68/83/606446883.db2.gz ZJHLAGGXBGTLMX-UHFFFAOYSA-N -1 1 324.388 3.656 20 0 DHADMM Cc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1Cl ZINC000826299436 608451984 /nfs/dbraw/zinc/45/19/84/608451984.db2.gz FHQFHOZVRPFWGK-UHFFFAOYSA-N -1 1 305.794 3.502 20 0 DHADMM c1cc(-c2nn[n-]n2)sc1CNc1csc2ccccc12 ZINC000826523774 609445388 /nfs/dbraw/zinc/44/53/88/609445388.db2.gz XIZBNCLNUONWFS-UHFFFAOYSA-N -1 1 313.411 3.755 20 0 DHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ncccc2Cl)c1 ZINC000180201188 1013057304 /nfs/dbraw/zinc/05/73/04/1013057304.db2.gz MTPMGJPCRDASJQ-UHFFFAOYSA-N -1 1 310.806 3.659 20 0 DHADMM O=S(=O)([N-]c1ncccc1Cl)c1ccc2ccccc2c1 ZINC000180194953 1013059098 /nfs/dbraw/zinc/05/90/98/1013059098.db2.gz FOCFFMMSJIKMJF-UHFFFAOYSA-N -1 1 318.785 3.689 20 0 DHADMM O=C(N[C@H](c1ccc(Cl)cc1)C1CCC1)c1cncc([O-])c1 ZINC000339926939 1013094228 /nfs/dbraw/zinc/09/42/28/1013094228.db2.gz OSQZWDCCKKEISQ-INIZCTEOSA-N -1 1 316.788 3.712 20 0 DHADMM O=C([O-])[C@H]1CN(C/C=C\c2ccc(F)cc2)Cc2ccccc21 ZINC001594954209 954973921 /nfs/dbraw/zinc/97/39/21/954973921.db2.gz ZKOOXGFTNRYQOE-JXCVUKRWSA-N -1 1 311.356 3.523 20 0 DHADMM C[C@@](NCc1cccc(Cl)c1F)(C(=O)[O-])c1ccccc1 ZINC001589131208 956191776 /nfs/dbraw/zinc/19/17/76/956191776.db2.gz FRZCKXJMNOGFKZ-INIZCTEOSA-N -1 1 307.752 3.569 20 0 DHADMM COc1ccc(N(C)C(=O)c2ccc3ccc(O)cc3c2[O-])cc1 ZINC001144938901 1032065462 /nfs/dbraw/zinc/06/54/62/1032065462.db2.gz PWFJPDOAJYEFNE-UHFFFAOYSA-N -1 1 323.348 3.536 20 0 DHADMM Cc1nc(CN2CCCC[C@@H]2CC(=O)[O-])sc1C(C)(C)C ZINC000923255278 957108897 /nfs/dbraw/zinc/10/88/97/957108897.db2.gz CKWXLARMDWYTOT-GFCCVEGCSA-N -1 1 310.463 3.578 20 0 DHADMM O=C([O-])[C@@H]1CN(Cc2cccc(C(F)F)c2)Cc2ccccc21 ZINC000391198584 972323299 /nfs/dbraw/zinc/32/32/99/972323299.db2.gz OMUSLLQXNYGVIZ-MRXNPFEDSA-N -1 1 317.335 3.808 20 0 DHADMM Cc1nc(CNC2(C(=O)[O-])CCCCC2)sc1C(C)(C)C ZINC001594453821 959405673 /nfs/dbraw/zinc/40/56/73/959405673.db2.gz OSJYDBPPDRBCRG-UHFFFAOYSA-N -1 1 310.463 3.626 20 0 DHADMM CCCN(Cc1ccc(C(=O)[O-])cc1Br)C1CC1 ZINC000226719385 959894913 /nfs/dbraw/zinc/89/49/13/959894913.db2.gz BUPDLEBXJVVKPG-UHFFFAOYSA-N -1 1 312.207 3.522 20 0 DHADMM O=C(Nc1cc(C(F)F)ccc1F)c1c(F)ccc([O-])c1F ZINC001144940592 1032071362 /nfs/dbraw/zinc/07/13/62/1032071362.db2.gz ZJBAKKFOWWBUIK-UHFFFAOYSA-N -1 1 317.213 3.999 20 0 DHADMM C[C@@H](CNC(=O)c1cc2ccccc2cc1[O-])CC(F)(F)F ZINC000397037892 1013244126 /nfs/dbraw/zinc/24/41/26/1013244126.db2.gz GZBJCFSDYPUNTG-SNVBAGLBSA-N -1 1 311.303 3.864 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(-n2cccc2)c(F)c1 ZINC000340331260 1013497362 /nfs/dbraw/zinc/49/73/62/1013497362.db2.gz SEGDPHOSAJYHTF-UHFFFAOYSA-N -1 1 314.291 3.713 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000340328814 1013498374 /nfs/dbraw/zinc/49/83/74/1013498374.db2.gz NCLPSYMVYQPFKI-ZYHUDNBSSA-N -1 1 307.271 3.552 20 0 DHADMM Cc1cnc(C(=O)N2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)c([O-])c1 ZINC000331136540 1013860168 /nfs/dbraw/zinc/86/01/68/1013860168.db2.gz IULKBDDKEQBHQK-FMKPAKJESA-N -1 1 310.397 3.502 20 0 DHADMM CC(=O)c1cc(F)c([N-]C(=O)c2c(F)cccc2F)c(F)c1 ZINC000340532010 1013927232 /nfs/dbraw/zinc/92/72/32/1013927232.db2.gz LCDVQJWKRZWRSP-UHFFFAOYSA-N -1 1 311.234 3.698 20 0 DHADMM CCN(Cc1ccc(OC)cc1)C(=O)c1cc(Cl)ccc1[O-] ZINC000124517445 1013961376 /nfs/dbraw/zinc/96/13/76/1013961376.db2.gz KLNLZCYRKSISSD-UHFFFAOYSA-N -1 1 319.788 3.717 20 0 DHADMM C[C@H](c1ccc(F)c(F)c1)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000320901262 970728136 /nfs/dbraw/zinc/72/81/36/970728136.db2.gz FYTWLOQOLRPLGS-ABAIWWIYSA-N -1 1 317.335 3.710 20 0 DHADMM Cc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1OC(C)C ZINC000683880967 1014090474 /nfs/dbraw/zinc/09/04/74/1014090474.db2.gz HLRNIODGONMMDV-UHFFFAOYSA-N -1 1 303.333 3.879 20 0 DHADMM O=C(CCOc1cccc(Cl)c1)Nc1c([O-])cccc1F ZINC000089541356 1014102386 /nfs/dbraw/zinc/10/23/86/1014102386.db2.gz OWYARILOLWRZAG-UHFFFAOYSA-N -1 1 309.724 3.592 20 0 DHADMM C[C@@H](c1cccc(Cl)c1)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000086763931 1014113498 /nfs/dbraw/zinc/11/34/98/1014113498.db2.gz XIABWVOZSQHTEL-TVQRCGJNSA-N -1 1 321.726 3.740 20 0 DHADMM CC(C)CCOc1ccc(NC(=O)c2cncc([O-])c2)c(F)c1 ZINC000655360355 1014118817 /nfs/dbraw/zinc/11/88/17/1014118817.db2.gz FYGPVTBUEGMNCU-UHFFFAOYSA-N -1 1 318.348 3.604 20 0 DHADMM O=C([O-])c1occc1CN(Cc1ccc(Cl)cc1)C1CC1 ZINC000519757297 974334893 /nfs/dbraw/zinc/33/48/93/974334893.db2.gz DHSOXGOUPKLBSM-UHFFFAOYSA-N -1 1 305.761 3.796 20 0 DHADMM CC(C)N(Cc1ccc(C(=O)[O-])cc1Br)C1CC1 ZINC000565101574 974567774 /nfs/dbraw/zinc/56/77/74/974567774.db2.gz PYGNKKRAJBNVJM-UHFFFAOYSA-N -1 1 312.207 3.520 20 0 DHADMM C[C@H](CN(Cc1nc(C2CCCCC2)cs1)C1CC1)C(=O)[O-] ZINC000571219562 974725849 /nfs/dbraw/zinc/72/58/49/974725849.db2.gz KOOXRVJVZWBSKG-GFCCVEGCSA-N -1 1 322.474 3.876 20 0 DHADMM COc1ccc([C@H]2CCCN2Cc2cc(C)c(C(=O)[O-])o2)cc1 ZINC000571410064 974728669 /nfs/dbraw/zinc/72/86/69/974728669.db2.gz OGRCEVXTHCATJZ-MRXNPFEDSA-N -1 1 315.369 3.632 20 0 DHADMM CC(C)[C@H]1CN(Cc2ccc(C(=O)[O-])c(Cl)c2)CCS1 ZINC000575130811 974795303 /nfs/dbraw/zinc/79/53/03/974795303.db2.gz HPPCIJKSWOEQES-CQSZACIVSA-N -1 1 313.850 3.612 20 0 DHADMM Cc1oc(CN(Cc2ccco2)C2CCCC2)cc1C(=O)[O-] ZINC000652389314 975518551 /nfs/dbraw/zinc/51/85/51/975518551.db2.gz NQZLKJDABGZTEN-UHFFFAOYSA-N -1 1 303.358 3.824 20 0 DHADMM Cc1sc(C(=O)[O-])cc1CN1C[C@H](C)OC2(CCCCC2)C1 ZINC000656191992 975645592 /nfs/dbraw/zinc/64/55/92/975645592.db2.gz IEVUKQABEQPLLQ-LBPRGKRZSA-N -1 1 323.458 3.678 20 0 DHADMM O=C([O-])c1ccoc1CN(Cc1ccccc1F)CC1CC1 ZINC000656765433 975697477 /nfs/dbraw/zinc/69/74/77/975697477.db2.gz MAFBVQDKJSMLKO-UHFFFAOYSA-N -1 1 303.333 3.529 20 0 DHADMM O=C([O-])c1csc(CN2CCC[C@@H](C3CCCCC3)C2)n1 ZINC000659803888 975894815 /nfs/dbraw/zinc/89/48/15/975894815.db2.gz PEQJOJAPZDSJSY-CYBMUJFWSA-N -1 1 308.447 3.634 20 0 DHADMM CCCc1cccc(CN[C@H](C(=O)[O-])c2cc(F)ccc2F)c1 ZINC000683173715 976078894 /nfs/dbraw/zinc/07/88/94/976078894.db2.gz OXWDGMHSQVMSEP-KRWDZBQOSA-N -1 1 319.351 3.833 20 0 DHADMM CC(C)c1[nH]c(C[N@H+]2CCSC(C)(C)CC2)cc1C(=O)[O-] ZINC001591913122 976354477 /nfs/dbraw/zinc/35/44/77/976354477.db2.gz XXSDZLCWBDJVFX-UHFFFAOYSA-N -1 1 310.463 3.554 20 0 DHADMM O=C1N[C@@H](c2ccc([O-])c(Cl)c2)Nc2cc(Cl)ccc21 ZINC000067438752 1014413490 /nfs/dbraw/zinc/41/34/90/1014413490.db2.gz FNEMKHBCHFKVGS-ZDUSSCGKSA-N -1 1 309.152 3.553 20 0 DHADMM Cc1cnc(C(=O)N2CCC[C@H]2CCC2CCCC2)c([O-])c1 ZINC000427738796 1014523544 /nfs/dbraw/zinc/52/35/44/1014523544.db2.gz CEZNBZBBKFLQHY-HNNXBMFYSA-N -1 1 302.418 3.671 20 0 DHADMM CC[C@H](N[C@H]1COc2ccc(C)cc21)c1ccc(C(=O)[O-])cc1 ZINC001595283825 980349565 /nfs/dbraw/zinc/34/95/65/980349565.db2.gz LJZGJALLOKAHQI-IRXDYDNUSA-N -1 1 311.381 3.868 20 0 DHADMM CC[C@H](NCc1cc(C(=O)[O-])ccc1Cl)c1ccncc1 ZINC001595298774 980421296 /nfs/dbraw/zinc/42/12/96/980421296.db2.gz COGKBYJONWMVBG-HNNXBMFYSA-N -1 1 304.777 3.674 20 0 DHADMM C[C@H]1CCN(Cc2ccc(-c3ccc(F)cc3)o2)[C@H](C(=O)[O-])C1 ZINC000902018924 980694831 /nfs/dbraw/zinc/69/48/31/980694831.db2.gz VUBWMVSMYJWEFN-LRDDRELGSA-N -1 1 317.360 3.771 20 0 DHADMM C[C@@H]1CCN(Cc2ccc(F)c(C(F)(F)F)c2)[C@H](C(=O)[O-])C1 ZINC000902018458 980695052 /nfs/dbraw/zinc/69/50/52/980695052.db2.gz UWLOTFWKCKQUBD-RNCFNFMXSA-N -1 1 319.298 3.530 20 0 DHADMM Cc1occc1CNCc1ccc(C(=O)[O-])cc1C(F)(F)F ZINC000902195580 980778051 /nfs/dbraw/zinc/77/80/51/980778051.db2.gz ISOVABFWRZIKMH-UHFFFAOYSA-N -1 1 313.275 3.595 20 0 DHADMM O=C([O-])c1cccc(CN[C@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000902223928 980789446 /nfs/dbraw/zinc/78/94/46/980789446.db2.gz SQUQQUITOZCNMW-KRWDZBQOSA-N -1 1 314.360 3.550 20 0 DHADMM CCc1oc(CNC(C)(C)c2cccc(C)c2)cc1C(=O)[O-] ZINC000902288016 980818803 /nfs/dbraw/zinc/81/88/03/980818803.db2.gz YOKZGXFBUUAQCP-UHFFFAOYSA-N -1 1 301.386 3.874 20 0 DHADMM C[C@H](NCc1cc(C(=O)[O-])co1)c1ccccc1C(F)(F)F ZINC000902314184 980829360 /nfs/dbraw/zinc/82/93/60/980829360.db2.gz YMOVPOOPBFXZNM-VIFPVBQESA-N -1 1 313.275 3.847 20 0 DHADMM O=C([O-])c1cccc(CNC2(c3ccc(Cl)cc3)CCC2)n1 ZINC000902373230 980860512 /nfs/dbraw/zinc/86/05/12/980860512.db2.gz ORWRIBCCNHPYNM-UHFFFAOYSA-N -1 1 316.788 3.602 20 0 DHADMM O=C([O-])c1csc(CNCc2ccsc2C(F)(F)F)c1 ZINC000902493158 980909385 /nfs/dbraw/zinc/90/93/85/980909385.db2.gz HZBNNRODPYOQMH-UHFFFAOYSA-N -1 1 321.345 3.816 20 0 DHADMM CCCN(Cc1cc(C(=O)[O-])ccc1Br)C1CC1 ZINC000903896514 981026198 /nfs/dbraw/zinc/02/61/98/981026198.db2.gz CUFRRJUJKDQWME-UHFFFAOYSA-N -1 1 312.207 3.522 20 0 DHADMM C[C@@H](NCc1ccc(C(=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000905718722 981121917 /nfs/dbraw/zinc/12/19/17/981121917.db2.gz LLYOSSWQGBZMAY-SNVBAGLBSA-N -1 1 324.302 3.649 20 0 DHADMM COc1ccc([C@H](C)NCc2ccc(/C=C\C(=O)[O-])o2)cc1C ZINC000905726636 981125495 /nfs/dbraw/zinc/12/54/95/981125495.db2.gz DSOUXLREQGHVMJ-JWJUJFCLSA-N -1 1 315.369 3.545 20 0 DHADMM CCc1oc(CN[C@@H](C)c2ccc(F)cc2C)cc1C(=O)[O-] ZINC000905729039 981128311 /nfs/dbraw/zinc/12/83/11/981128311.db2.gz UENDTTXNUVTPOZ-NSHDSACASA-N -1 1 305.349 3.839 20 0 DHADMM CCCN(Cc1cc(C(=O)[O-])cs1)Cc1ccccc1F ZINC001595885972 982911623 /nfs/dbraw/zinc/91/16/23/982911623.db2.gz QFOLFXVDCUZIMV-UHFFFAOYSA-N -1 1 307.390 3.998 20 0 DHADMM Cc1cccc2c1CCN(C(=O)c1c([O-])cccc1Cl)C2 ZINC000729538068 1014991594 /nfs/dbraw/zinc/99/15/94/1014991594.db2.gz MYNVCIGSJHNHLG-UHFFFAOYSA-N -1 1 301.773 3.553 20 0 DHADMM Cc1ccc(C[C@@H]2CCCN2C(=O)c2cc(F)ccc2[O-])cc1 ZINC000094139079 1015027039 /nfs/dbraw/zinc/02/70/39/1015027039.db2.gz UBCHIVCMQCSUNV-INIZCTEOSA-N -1 1 313.372 3.687 20 0 DHADMM Cc1cccc2c1CCN(C(=O)c1cc(Cl)ccc1[O-])C2 ZINC000729538669 1015082519 /nfs/dbraw/zinc/08/25/19/1015082519.db2.gz WGRCQAKDZPDUJK-UHFFFAOYSA-N -1 1 301.773 3.553 20 0 DHADMM COc1ccc(SCc2cc(=O)oc3cc([O-])ccc23)cc1 ZINC000007294640 1015133047 /nfs/dbraw/zinc/13/30/47/1015133047.db2.gz AOFKGFYVWSCKRM-UHFFFAOYSA-N -1 1 314.362 3.800 20 0 DHADMM CCOC[C@@H]1CCCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000313465645 1015180329 /nfs/dbraw/zinc/18/03/29/1015180329.db2.gz XRGHJMMHLOTQDN-HNNXBMFYSA-N -1 1 313.397 3.577 20 0 DHADMM CCOc1ccc2nc(S[C@H](C(=O)[O-])[C@H](C)CC)[nH]c2c1 ZINC001597145591 986907109 /nfs/dbraw/zinc/90/71/09/986907109.db2.gz IRPZPAQOBKNTLH-RNCFNFMXSA-N -1 1 308.403 3.553 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1O ZINC000034256920 1015278059 /nfs/dbraw/zinc/27/80/59/1015278059.db2.gz YIYKCDIOSSGMCM-UHFFFAOYSA-N -1 1 305.399 3.625 20 0 DHADMM CC(C)(C)[C@@H](NCc1cc(-c2ccc(Cl)cc2)no1)C(=O)[O-] ZINC001589717196 987864520 /nfs/dbraw/zinc/86/45/20/987864520.db2.gz NGDNNTFTQBLMDZ-AWEZNQCLSA-N -1 1 322.792 3.584 20 0 DHADMM C[C@@H](NCc1ccc(C(=O)[O-])cc1F)c1ccc2c(c1)CCC2 ZINC001599841428 988842041 /nfs/dbraw/zinc/84/20/41/988842041.db2.gz HEVOKCMLZXXHFO-GFCCVEGCSA-N -1 1 313.372 3.863 20 0 DHADMM CCc1oc(CNCc2cccc(OC(C)C)c2)cc1C(=O)[O-] ZINC001597805943 989418132 /nfs/dbraw/zinc/41/81/32/989418132.db2.gz UNTOKTMQTYNHRJ-UHFFFAOYSA-N -1 1 317.385 3.617 20 0 DHADMM O=C([O-])C[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000054299687 1015490649 /nfs/dbraw/zinc/49/06/49/1015490649.db2.gz KOZDSFKOLZQQAX-SNVBAGLBSA-N -1 1 302.201 3.680 20 0 DHADMM CC(C)(C)c1ccc(CNCc2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC001590486626 990085273 /nfs/dbraw/zinc/08/52/73/990085273.db2.gz ADIMOQUBXZIDHT-ZHACJKMWSA-N -1 1 313.397 3.965 20 0 DHADMM O=C(NCc1ccc([O-])c(Cl)c1)N1CC[C@@H]1C1CCCC1 ZINC000896312003 1015546916 /nfs/dbraw/zinc/54/69/16/1015546916.db2.gz XRWFSRYDHUFRIH-CQSZACIVSA-N -1 1 308.809 3.520 20 0 DHADMM Oc1cccc(C[N@H+]2CCC[C@H](Cc3nccs3)C2)c1Cl ZINC000896529190 1015612158 /nfs/dbraw/zinc/61/21/58/1015612158.db2.gz YWZNMCUSZDVVQU-GFCCVEGCSA-N -1 1 322.861 3.957 20 0 DHADMM C[C@@H](SCCC[N-]C(=O)C(F)(F)F)c1ccccc1F ZINC000178335210 1015635023 /nfs/dbraw/zinc/63/50/23/1015635023.db2.gz CIEZBRWWPNPBQL-SECBINFHSA-N -1 1 309.328 3.689 20 0 DHADMM CC(C)CCCCCC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001591236699 992118623 /nfs/dbraw/zinc/11/86/23/992118623.db2.gz MADOYELNSPFMDH-UHFFFAOYSA-N -1 1 317.389 3.806 20 0 DHADMM CN(Cc1nc2cc(C(=O)[O-])ccc2[nH]1)C(C)(C)c1ccccc1 ZINC001598537153 992853278 /nfs/dbraw/zinc/85/32/78/992853278.db2.gz NAGXUFOQPLOXGG-UHFFFAOYSA-N -1 1 323.396 3.628 20 0 DHADMM CSCC[C@@H](NCc1ccc(-c2ccc(C)cc2)o1)C(=O)[O-] ZINC000276960696 1015777676 /nfs/dbraw/zinc/77/76/76/1015777676.db2.gz FSFIAPPKTKLUCN-OAHLLOKOSA-N -1 1 319.426 3.551 20 0 DHADMM O=C(c1ncccc1[O-])N1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000153967314 1015783645 /nfs/dbraw/zinc/78/36/45/1015783645.db2.gz WVGPMPQKPUUUEZ-GZKZCVOOSA-N -1 1 322.408 3.885 20 0 DHADMM C[C@@H](N[C@H](C)c1ccc2c(c1)CCCO2)c1ccc(C(=O)[O-])o1 ZINC001593198858 994175610 /nfs/dbraw/zinc/17/56/10/994175610.db2.gz VCISFLQABWFUIF-VXGBXAGGSA-N -1 1 315.369 3.715 20 0 DHADMM COc1ccc2nc(S[C@@H](C(=O)[O-])c3ccsc3)[nH]c2c1 ZINC001599635135 994276225 /nfs/dbraw/zinc/27/62/25/994276225.db2.gz PQCSWESAZZYRRV-GFCCVEGCSA-N -1 1 320.395 3.551 20 0 DHADMM C[C@H](NCc1cc(C2CC2)ccc1F)c1cncc(C(=O)[O-])c1 ZINC001593293648 994685652 /nfs/dbraw/zinc/68/56/52/994685652.db2.gz WMUJMYXVQIFZPL-NSHDSACASA-N -1 1 314.360 3.647 20 0 DHADMM C[C@H](c1cccc(Cl)c1F)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001593699811 996172568 /nfs/dbraw/zinc/17/25/68/996172568.db2.gz ZVQISQAQMPVOFQ-PWSUYJOCSA-N -1 1 311.784 3.727 20 0 DHADMM C[C@H](c1nc(C(=O)[O-])co1)N1CCC[C@H](C2CCCCC2)C1 ZINC001593725984 996285921 /nfs/dbraw/zinc/28/59/21/996285921.db2.gz XFBSBDXOWDAYFW-OCCSQVGLSA-N -1 1 306.406 3.726 20 0 DHADMM C[C@H](c1ncc(C(=O)[O-])s1)N1CC[C@@H](c2cccc(F)c2)C1 ZINC001593732368 996311649 /nfs/dbraw/zinc/31/16/49/996311649.db2.gz SKEBMHMWKHULGY-ZYHUDNBSSA-N -1 1 320.389 3.531 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)C1([C@@H]2CCCCO2)CCC1 ZINC000866869551 1016164440 /nfs/dbraw/zinc/16/44/40/1016164440.db2.gz WTDFKIIINZZECJ-AWEZNQCLSA-N -1 1 309.793 3.724 20 0 DHADMM C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1cc(C(=O)[O-])ccc1Cl ZINC001594177393 998689001 /nfs/dbraw/zinc/68/90/01/998689001.db2.gz XGPVHFMAORTMQN-KWQFWETISA-N -1 1 321.726 3.811 20 0 DHADMM C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1cccc(C(=O)[O-])c1Cl ZINC001594177425 998689142 /nfs/dbraw/zinc/68/91/42/998689142.db2.gz XLMZMUTWVOHJLT-KWQFWETISA-N -1 1 321.726 3.811 20 0 DHADMM CSc1ccc(C)c([N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000553483965 1033709991 /nfs/dbraw/zinc/70/99/91/1033709991.db2.gz BCJLRSIBYWDNOA-UHFFFAOYSA-N -1 1 307.440 3.826 20 0 DHADMM C[C@@H]1CCN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)[C@H]2CCCC[C@H]12 ZINC001594423524 999581560 /nfs/dbraw/zinc/58/15/60/999581560.db2.gz YLKMOMRAQSYHHB-MRRJBJDNSA-N -1 1 316.445 3.991 20 0 DHADMM COC1(CNC(=O)c2cc3ccccc3cc2[O-])CCCCC1 ZINC000622520378 1016446851 /nfs/dbraw/zinc/44/68/51/1016446851.db2.gz QNJLPCVBGXLRSZ-UHFFFAOYSA-N -1 1 313.397 3.625 20 0 DHADMM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccc(Cl)cc1 ZINC000622698278 1016534544 /nfs/dbraw/zinc/53/45/44/1016534544.db2.gz HDJBZMJZZYXXKR-MRVPVSSYSA-N -1 1 311.715 3.815 20 0 DHADMM CC1(C(=O)[O-])CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000062844387 1016745636 /nfs/dbraw/zinc/74/56/36/1016745636.db2.gz BCOYFKSFUKQJRK-UHFFFAOYSA-N -1 1 302.201 3.680 20 0 DHADMM C[C@H]1C[C@H](C)CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000684869197 1016747642 /nfs/dbraw/zinc/74/76/42/1016747642.db2.gz OZDZUCWRYMLJFD-UWVGGRQHSA-N -1 1 301.308 3.529 20 0 DHADMM C[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)CC1 ZINC000684871865 1016757825 /nfs/dbraw/zinc/75/78/25/1016757825.db2.gz LPXDAVZJOOOIOE-SNVBAGLBSA-N -1 1 301.308 3.673 20 0 DHADMM CC[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000684871237 1016754902 /nfs/dbraw/zinc/75/49/02/1016754902.db2.gz CEDJSFSNDZCLMM-SNVBAGLBSA-N -1 1 301.308 3.673 20 0 DHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCC[C@@H]2CCC[C@H]21 ZINC000684876301 1016768834 /nfs/dbraw/zinc/76/88/34/1016768834.db2.gz SIPWYUOSGWAURB-GXFFZTMASA-N -1 1 313.319 3.816 20 0 DHADMM CC(C)(C)CCc1noc(-c2[n-]cnc2C(=O)c2ccccc2)n1 ZINC000347268025 1016830566 /nfs/dbraw/zinc/83/05/66/1016830566.db2.gz QUNGWYWICBGYTJ-UHFFFAOYSA-N -1 1 324.384 3.669 20 0 DHADMM Cc1nc(-c2ccc(N[C@H]3CCCC4(CC4)C3)nc2)[n-]c(=O)c1C ZINC000897041351 1017013512 /nfs/dbraw/zinc/01/35/12/1017013512.db2.gz LNOLCEVTBWAOCL-HNNXBMFYSA-N -1 1 324.428 3.996 20 0 DHADMM CC(C)(C)[C@H]([N-]C(=O)C(F)(F)c1ccccc1)C(F)(F)F ZINC000073133727 1017246484 /nfs/dbraw/zinc/24/64/84/1017246484.db2.gz FQTMXAYXRYIVCA-JTQLQIEISA-N -1 1 309.278 3.872 20 0 DHADMM Cc1nc(C)c(C(=O)Nc2cccc(C(F)(F)F)c2[O-])s1 ZINC001147241242 1032294724 /nfs/dbraw/zinc/29/47/24/1032294724.db2.gz VNEWUCORBMOQEQ-UHFFFAOYSA-N -1 1 316.304 3.737 20 0 DHADMM C[C@@H](CCC(C)(C)C)NC(=O)c1ncc2ccccc2c1[O-] ZINC001147198454 1032287924 /nfs/dbraw/zinc/28/79/24/1032287924.db2.gz GBMMMTPYVTURKI-LBPRGKRZSA-N -1 1 300.402 3.885 20 0 DHADMM Cc1cccc([C@@H]2CCCCCN2C(=O)c2ccc([O-])cn2)c1 ZINC001147372336 1032302852 /nfs/dbraw/zinc/30/28/52/1032302852.db2.gz FMBHRTGUYTWBOD-SFHVURJKSA-N -1 1 310.397 3.853 20 0 DHADMM CC(C)c1cc(C(=O)[N-]c2nc(F)c(F)c(Cl)c2F)no1 ZINC001147476361 1032311775 /nfs/dbraw/zinc/31/17/75/1032311775.db2.gz WTNLYCHYMGFVLU-UHFFFAOYSA-N -1 1 319.670 3.516 20 0 DHADMM O=C(Cc1ccc([O-])c(Cl)c1)NCC1(C2CCC2)CCC1 ZINC001161044740 1032327880 /nfs/dbraw/zinc/32/78/80/1032327880.db2.gz LGZUKNKDSOTETR-UHFFFAOYSA-N -1 1 307.821 3.675 20 0 DHADMM CCc1ccccc1[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000120010686 1032329894 /nfs/dbraw/zinc/32/98/94/1032329894.db2.gz AADYTQGBLIJTIW-UHFFFAOYSA-N -1 1 312.394 3.598 20 0 DHADMM CC(C)n1cc2cc(NC(=O)c3cccc([O-])c3F)ccc2n1 ZINC001147682508 1032331066 /nfs/dbraw/zinc/33/10/66/1032331066.db2.gz BXLFRVVTKYTPIR-UHFFFAOYSA-N -1 1 313.332 3.714 20 0 DHADMM CCO[C@H]1[C@H](C(=O)Nc2cc(Cl)c([O-])c3ccccc23)[C@@H]1C ZINC001148253387 1032379658 /nfs/dbraw/zinc/37/96/58/1032379658.db2.gz QVXHUIVHXXYZOX-FVLGBLRTSA-N -1 1 319.788 3.808 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC001148320258 1032390624 /nfs/dbraw/zinc/39/06/24/1032390624.db2.gz XOWWFJZEEGQJGJ-UHFFFAOYSA-N -1 1 321.380 3.954 20 0 DHADMM Cc1ccc(-c2csc3[n-]c(-c4ccon4)nc(=O)c23)c(C)c1 ZINC000074797468 1017270318 /nfs/dbraw/zinc/27/03/18/1017270318.db2.gz NSGZOLFFNVEWIR-UHFFFAOYSA-N -1 1 323.377 3.923 20 0 DHADMM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1c([O-])cccc1F ZINC001625777472 1011944407 /nfs/dbraw/zinc/94/44/07/1011944407.db2.gz QVLZSRWADUXBTD-CYBMUJFWSA-N -1 1 317.360 3.876 20 0 DHADMM Cc1ccc([O-])c(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)c1 ZINC000514206882 1012296637 /nfs/dbraw/zinc/29/66/37/1012296637.db2.gz WAAFREHTLRLILU-UHFFFAOYSA-N -1 1 312.756 3.771 20 0 DHADMM COc1ccc(C(=O)Nc2cnccc2-c2ccccc2)c([O-])c1 ZINC000683225165 1012506702 /nfs/dbraw/zinc/50/67/02/1012506702.db2.gz XUDPAVKEJWLIFL-UHFFFAOYSA-N -1 1 320.348 3.715 20 0 DHADMM COc1ccc(C(=O)Nc2sc(C)nc2CC(C)C)c([O-])c1 ZINC000436583495 1012757541 /nfs/dbraw/zinc/75/75/41/1012757541.db2.gz HHUVMYLKUZNPDE-UHFFFAOYSA-N -1 1 320.414 3.617 20 0 DHADMM C[C@@H](c1c(F)cccc1F)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000436760009 1012766463 /nfs/dbraw/zinc/76/64/63/1012766463.db2.gz KEWDRFHPCZYVMB-VIFPVBQESA-N -1 1 309.287 3.643 20 0 DHADMM CCC(CC)[C@H](NC(=O)c1cncc([O-])c1)c1cccs1 ZINC000339813721 1012889569 /nfs/dbraw/zinc/88/95/69/1012889569.db2.gz QEEBVYNCYVHXNN-HNNXBMFYSA-N -1 1 304.415 3.756 20 0 DHADMM C[C@H]1[C@@H](C(F)(F)F)CCN1c1c(C(=O)[O-])cnc2ccccc21 ZINC000517153887 1012920287 /nfs/dbraw/zinc/92/02/87/1012920287.db2.gz KAQNETQKNSQTGN-CABZTGNLSA-N -1 1 324.302 3.710 20 0 DHADMM CCCc1ccc(S(=O)(=O)[N-]c2ccccc2N(C)C)cc1 ZINC000517615211 1013025944 /nfs/dbraw/zinc/02/59/44/1013025944.db2.gz UONAIJZRVATWHX-UHFFFAOYSA-N -1 1 318.442 3.506 20 0 DHADMM CCOc1cc(-c2noc([C@H](C)OCC)n2)cc(Cl)c1[O-] ZINC000350797461 1017331443 /nfs/dbraw/zinc/33/14/43/1017331443.db2.gz XPHCPDADLYPMAC-QMMMGPOBSA-N -1 1 312.753 3.592 20 0 DHADMM Cc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2F)c1Cl ZINC000179951828 1017333117 /nfs/dbraw/zinc/33/31/17/1017333117.db2.gz NGOWXQDYGFRHDU-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM CCCc1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000614791823 1017462246 /nfs/dbraw/zinc/46/22/46/1017462246.db2.gz LPFUIKDZKPAOCE-UHFFFAOYSA-N -1 1 307.390 3.887 20 0 DHADMM CC(C)c1nsc([N-]C(=O)c2nc(C(C)(C)C)cs2)n1 ZINC000874692825 1032705547 /nfs/dbraw/zinc/70/55/47/1032705547.db2.gz HTHVFSUTZILWND-UHFFFAOYSA-N -1 1 310.448 3.668 20 0 DHADMM [O-]c1ccc(-c2noc(/C=C/c3cncc(F)c3)n2)c(Cl)c1 ZINC000445450285 1032719381 /nfs/dbraw/zinc/71/93/81/1032719381.db2.gz RUSGVMCUWOOHOK-DAFODLJHSA-N -1 1 317.707 3.800 20 0 DHADMM COc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)cc(Cl)c1[O-] ZINC000153545870 1017792533 /nfs/dbraw/zinc/79/25/33/1017792533.db2.gz SPZSMJFGFXUUOW-GXFFZTMASA-N -1 1 311.809 3.705 20 0 DHADMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000171013509 1017812141 /nfs/dbraw/zinc/81/21/41/1017812141.db2.gz BIZDLTRVKUQIRO-GFCCVEGCSA-N -1 1 323.389 3.642 20 0 DHADMM Cc1ccc(Cc2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445444862 1017862988 /nfs/dbraw/zinc/86/29/88/1017862988.db2.gz HHRLKIMIBUDLDM-UHFFFAOYSA-N -1 1 300.745 3.995 20 0 DHADMM COc1csc(-c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445445335 1017865223 /nfs/dbraw/zinc/86/52/23/1017865223.db2.gz JFQKGTSKTCFFFF-UHFFFAOYSA-N -1 1 308.746 3.833 20 0 DHADMM C[C@@H](c1nc(-c2ccc([O-])c(F)c2)no1)c1cccc(F)c1 ZINC000445478315 1017875809 /nfs/dbraw/zinc/87/58/09/1017875809.db2.gz CKIRPWXZSRRVBB-SECBINFHSA-N -1 1 302.280 3.872 20 0 DHADMM [O-]c1ccc(-c2noc(-c3ccc4ccccc4n3)n2)cc1F ZINC000445478439 1017877380 /nfs/dbraw/zinc/87/73/80/1017877380.db2.gz QQNIKFLLVHYXLL-UHFFFAOYSA-N -1 1 307.284 3.797 20 0 DHADMM Cc1cccc([C@H]([N-]c2nnc(C(C)C)o2)c2ccccn2)c1 ZINC000583005481 1017943682 /nfs/dbraw/zinc/94/36/82/1017943682.db2.gz IFJLTHUYBFJFTI-INIZCTEOSA-N -1 1 308.385 4.098 20 0 DHADMM COc1cc(C(=O)N2CC[C@@H](CC(C)C)C2)cc(Cl)c1[O-] ZINC000153929526 1018082226 /nfs/dbraw/zinc/08/22/26/1018082226.db2.gz XOLYKRYEXKIDJK-NSHDSACASA-N -1 1 311.809 3.562 20 0 DHADMM CC(C)[C@H]1C[C@@H](Cc2nc(-c3ccc([O-])c(F)c3)no2)CCO1 ZINC000278126799 1018176222 /nfs/dbraw/zinc/17/62/22/1018176222.db2.gz JWORPDFJXYLEIR-XHDPSFHLSA-N -1 1 320.364 3.575 20 0 DHADMM Oc1cc(Cl)c(C[N@H+]2CCC3(C2)CCOCC3)c(Cl)c1 ZINC001142115082 1018368004 /nfs/dbraw/zinc/36/80/04/1018368004.db2.gz WILAXWSBWFMWTE-UHFFFAOYSA-N -1 1 316.228 3.702 20 0 DHADMM CCc1nc(SCc2ccn(C3CCCC3)n2)[n-]c(=O)c1C ZINC000566499010 1018387173 /nfs/dbraw/zinc/38/71/73/1018387173.db2.gz SQQRKFZBWMKSPP-UHFFFAOYSA-N -1 1 318.446 3.657 20 0 DHADMM Cc1nc(CCCc2nc(-c3ccc([O-])c(F)c3)no2)cs1 ZINC000278240350 1018425615 /nfs/dbraw/zinc/42/56/15/1018425615.db2.gz SJBRBEWOTHGETR-UHFFFAOYSA-N -1 1 319.361 3.522 20 0 DHADMM CCc1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1CC ZINC000486093825 1018541544 /nfs/dbraw/zinc/54/15/44/1018541544.db2.gz STIOMXTYSPPCEB-UHFFFAOYSA-N -1 1 307.390 3.751 20 0 DHADMM C[C@@H]1CCN(Cc2cccc(Cl)c2Cl)C[C@@H]1C(=O)[O-] ZINC000583564177 1018560972 /nfs/dbraw/zinc/56/09/72/1018560972.db2.gz DIECKFSTKCGPGF-KOLCDFICSA-N -1 1 302.201 3.536 20 0 DHADMM COc1cccc2cc(C(=O)Nc3ccc(F)cc3[O-])oc21 ZINC000676056185 1018651033 /nfs/dbraw/zinc/65/10/33/1018651033.db2.gz ULZZMBQUCQOFNC-UHFFFAOYSA-N -1 1 301.273 3.538 20 0 DHADMM CC(C)Oc1ccc(NC(=O)c2ccc([O-])cc2F)c(F)c1 ZINC001626026409 1018819599 /nfs/dbraw/zinc/81/95/99/1018819599.db2.gz VGNLHCFEBYDVDO-UHFFFAOYSA-N -1 1 307.296 3.710 20 0 DHADMM Cc1cc(C)n2nc(Nc3cc(F)c([O-])c(Cl)c3)cc2n1 ZINC001214482618 1018968311 /nfs/dbraw/zinc/96/83/11/1018968311.db2.gz FCAZVFQANCKYKN-UHFFFAOYSA-N -1 1 306.728 3.588 20 0 DHADMM [O-]c1c(F)cc(Nc2cn3nc(Cl)ccc3n2)cc1Cl ZINC001214482736 1018996093 /nfs/dbraw/zinc/99/60/93/1018996093.db2.gz LDBLKRDDOPFLKF-UHFFFAOYSA-N -1 1 313.119 3.624 20 0 DHADMM C[C@@H]1CN(Cc2csc(C3CCCCC3)n2)C[C@@]1(C)C(=O)[O-] ZINC000584178254 1019006108 /nfs/dbraw/zinc/00/61/08/1019006108.db2.gz JJKUVPYQMNJTMG-SJKOYZFVSA-N -1 1 322.474 3.733 20 0 DHADMM Cc1nc(CN2CCC[C@@H](CC(=O)[O-])CC2)sc1C(C)(C)C ZINC000923241144 1019084285 /nfs/dbraw/zinc/08/42/85/1019084285.db2.gz OKNZGVRDJMSWCY-CYBMUJFWSA-N -1 1 324.490 3.826 20 0 DHADMM O=C(NCc1cc(F)cc(F)c1)c1cc2ccccc2cc1[O-] ZINC000030163228 1019194508 /nfs/dbraw/zinc/19/45/08/1019194508.db2.gz CRGYILJEKNBUDC-UHFFFAOYSA-N -1 1 313.303 3.754 20 0 DHADMM CCN1Cc2ccc(Nc3cc(F)c([O-])c(Cl)c3)cc2C1=O ZINC001214489413 1019234680 /nfs/dbraw/zinc/23/46/80/1019234680.db2.gz CHIFENFGFWGATF-UHFFFAOYSA-N -1 1 320.751 3.904 20 0 DHADMM C[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ccc(F)c(F)c1 ZINC000142926467 1019368147 /nfs/dbraw/zinc/36/81/47/1019368147.db2.gz ZJDQCWGYVXECME-MRVPVSSYSA-N -1 1 311.715 3.815 20 0 DHADMM O=C(Nc1nnc(C2CC2)s1)c1ccc2ccccc2c1[O-] ZINC000078534012 1019370146 /nfs/dbraw/zinc/37/01/46/1019370146.db2.gz TXIZQGHSNVGMEE-UHFFFAOYSA-N -1 1 311.366 3.527 20 0 DHADMM [O-]c1cccnc1-c1nc(-c2cccc3nccc(Cl)c32)no1 ZINC001212482464 1019423217 /nfs/dbraw/zinc/42/32/17/1019423217.db2.gz NFNKIMOCPDRNAB-UHFFFAOYSA-N -1 1 324.727 3.706 20 0 DHADMM Cc1csc([C@H](C)NC(=O)c2ccc3ccccc3c2[O-])n1 ZINC000170774439 1019430819 /nfs/dbraw/zinc/43/08/19/1019430819.db2.gz FJXBQGMDBHSKCM-NSHDSACASA-N -1 1 312.394 3.801 20 0 DHADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(F)cc(Cl)c1 ZINC000477405589 1032834054 /nfs/dbraw/zinc/83/40/54/1032834054.db2.gz XDOJNMYJMUDOKF-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM CC(=O)c1cc(Nc2cc(F)cc(F)c2[O-])cc(C(C)=O)c1 ZINC001212491753 1019499919 /nfs/dbraw/zinc/49/99/19/1019499919.db2.gz ZJVFJFWOWQUQKK-UHFFFAOYSA-N -1 1 305.280 3.819 20 0 DHADMM Cc1n[n-]c(=NCc2ccccc2-c2ccccc2C)n1C1CC1 ZINC000453050986 1019512319 /nfs/dbraw/zinc/51/23/19/1019512319.db2.gz WWCKMYHJRTUVDX-UHFFFAOYSA-N -1 1 318.424 3.931 20 0 DHADMM COc1ccc(/C=C(\C)C(=O)Nc2cccc(F)c2[O-])cc1F ZINC001171638010 1032836949 /nfs/dbraw/zinc/83/69/49/1032836949.db2.gz RPIWGQQQVPEZPW-CSKARUKUSA-N -1 1 319.307 3.721 20 0 DHADMM COc1ccc2c(c1)CCN2C(=O)c1ccc(C(C)C)cc1[O-] ZINC000060471312 1019696726 /nfs/dbraw/zinc/69/67/26/1019696726.db2.gz MUAOXKFKTCXRBB-UHFFFAOYSA-N -1 1 311.381 3.727 20 0 DHADMM COc1ccc(/C=C(/C)C(=O)Nc2c([O-])cccc2F)cc1F ZINC000755616760 1019744258 /nfs/dbraw/zinc/74/42/58/1019744258.db2.gz UGWZEPWYMDMDIE-NTMALXAHSA-N -1 1 319.307 3.721 20 0 DHADMM O=C([O-])C[C@H](NCc1cccc(Cl)c1F)c1cccs1 ZINC000166720322 1019814960 /nfs/dbraw/zinc/81/49/60/1019814960.db2.gz WIJJZGPZQPIIED-NSHDSACASA-N -1 1 313.781 3.846 20 0 DHADMM O=C(c1ccc([O-])c(F)c1)N1CCC(Cc2ccccc2)CC1 ZINC000167441047 1019872081 /nfs/dbraw/zinc/87/20/81/1019872081.db2.gz AINWRGCHHJPLGK-UHFFFAOYSA-N -1 1 313.372 3.626 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1cccc(C(F)(F)F)c1F ZINC000080028490 1019923355 /nfs/dbraw/zinc/92/33/55/1019923355.db2.gz HQQSVKCFSUCVMJ-UHFFFAOYSA-N -1 1 317.213 3.942 20 0 DHADMM CC(C)(C)OCCOC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730360118 1019978825 /nfs/dbraw/zinc/97/88/25/1019978825.db2.gz QTYKUTDOXZSIQY-UHFFFAOYSA-N -1 1 307.173 3.671 20 0 DHADMM C[C@H]1CN(C(=O)c2cc(Cl)ccc2[O-])Cc2ccccc21 ZINC000922324744 1020004471 /nfs/dbraw/zinc/00/44/71/1020004471.db2.gz RSFZISNAJRRCHY-NSHDSACASA-N -1 1 301.773 3.805 20 0 DHADMM CCC(CC)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000069602497 1020053871 /nfs/dbraw/zinc/05/38/71/1020053871.db2.gz XVVIIEYFUAPYPG-UHFFFAOYSA-N -1 1 302.248 3.522 20 0 DHADMM CN(CCCOc1ccccc1)C(=O)c1cc(Cl)ccc1[O-] ZINC000073925348 1020126555 /nfs/dbraw/zinc/12/65/55/1020126555.db2.gz LNFCKULMFBDOFE-UHFFFAOYSA-N -1 1 319.788 3.587 20 0 DHADMM O=C([N-]CC1(Sc2ccccc2)CCCC1)C(F)(F)F ZINC000731653965 1020129090 /nfs/dbraw/zinc/12/90/90/1020129090.db2.gz DLTPJDDSWKRCGT-UHFFFAOYSA-N -1 1 303.349 3.770 20 0 DHADMM C[C@@H](c1ccccc1Cl)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000086764076 1020173796 /nfs/dbraw/zinc/17/37/96/1020173796.db2.gz NOTGUZXLORUDOH-TVQRCGJNSA-N -1 1 321.726 3.740 20 0 DHADMM CCCC[C@H](CCC)CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000084826799 1020219657 /nfs/dbraw/zinc/21/96/57/1020219657.db2.gz IWWWWLWGPXZMOE-AWEZNQCLSA-N -1 1 321.465 3.538 20 0 DHADMM O=C(Nc1ccc2c(c1)oc1ccccc12)c1cncc([O-])c1 ZINC000732271475 1020220725 /nfs/dbraw/zinc/22/07/25/1020220725.db2.gz YQADKGSNLZVRPE-UHFFFAOYSA-N -1 1 304.305 3.939 20 0 DHADMM CCS[C@H]1CCCCN(C(=O)c2c([O-])cccc2Cl)C1 ZINC000732579520 1020259072 /nfs/dbraw/zinc/25/90/72/1020259072.db2.gz IBLDIJYGPQOSCF-NSHDSACASA-N -1 1 313.850 3.793 20 0 DHADMM C[C@@H](COC(C)(C)C)Oc1nc2c(cc(Cl)nc2Cl)[n-]1 ZINC001231045360 1020310346 /nfs/dbraw/zinc/31/03/46/1020310346.db2.gz 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CSCCc1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000613503584 1021011252 /nfs/dbraw/zinc/01/12/52/1021011252.db2.gz LTFCXIYYYXDJBJ-UHFFFAOYSA-N -1 1 305.374 3.689 20 0 DHADMM Cc1nccc(-c2cccc(NC(=O)c3cc(F)ccc3[O-])c2)n1 ZINC000175192540 1021024392 /nfs/dbraw/zinc/02/43/92/1021024392.db2.gz UNVXQTPMWVNCMK-UHFFFAOYSA-N -1 1 323.327 3.549 20 0 DHADMM CN(CCCCc1ccccc1)C(=O)c1cc(F)ccc1[O-] ZINC000175199679 1021025217 /nfs/dbraw/zinc/02/52/17/1021025217.db2.gz DHXJKRREMMICBH-UHFFFAOYSA-N -1 1 301.361 3.626 20 0 DHADMM CC(F)(F)c1ccc(-c2nc3cccc(F)c3c(=O)[n-]2)cc1 ZINC000685896785 1021040163 /nfs/dbraw/zinc/04/01/63/1021040163.db2.gz WVPBTIGMCXRSPC-UHFFFAOYSA-N -1 1 304.271 3.841 20 0 DHADMM CCS[C@@H]1CC[C@H](N(C)C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000175392312 1021042220 /nfs/dbraw/zinc/04/22/20/1021042220.db2.gz POUXKDDLAZOSPM-NWDGAFQWSA-N -1 1 313.850 3.792 20 0 DHADMM O=C([N-]O[C@@H]1CCCCO1)[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000107582068 1021335271 /nfs/dbraw/zinc/33/52/71/1021335271.db2.gz SYEUZUDFWASSGQ-OKZBNKHCSA-N -1 1 311.381 3.518 20 0 DHADMM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)c1c([O-])cccc1Cl ZINC000743643516 1021336898 /nfs/dbraw/zinc/33/68/98/1021336898.db2.gz YXXOLYLYQINGGB-PBHICJAKSA-N -1 1 301.773 3.506 20 0 DHADMM C[C@@H](CNC(=O)c1c([O-])cccc1Cl)Sc1ccccc1 ZINC000743730705 1021359053 /nfs/dbraw/zinc/35/90/53/1021359053.db2.gz CNFHATUSWOJEOJ-NSHDSACASA-N -1 1 321.829 3.956 20 0 DHADMM COc1cccc([C@@H](C)CC(=O)Nc2c([O-])cccc2F)c1 ZINC000084631939 1021461458 /nfs/dbraw/zinc/46/14/58/1021461458.db2.gz LSCJXXVPSLEVDH-NSHDSACASA-N -1 1 303.333 3.672 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)C1(c2cccc(F)c2)CC1 ZINC000129590114 1021519179 /nfs/dbraw/zinc/51/91/79/1021519179.db2.gz QSPXGOWWFHPJFF-UHFFFAOYSA-N -1 1 305.736 3.855 20 0 DHADMM CC[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1c(C)noc1C ZINC000129708070 1021555028 /nfs/dbraw/zinc/55/50/28/1021555028.db2.gz UZDAMHSKYIKWDO-GFCCVEGCSA-N -1 1 308.765 3.532 20 0 DHADMM C[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])C[C@H](C)S1 ZINC000070387720 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/nfs/dbraw/zinc/85/70/26/1023857026.db2.gz VNHOZSWKBNZUEA-MNOVXSKESA-N -1 1 322.792 3.650 20 0 DHADMM O=C([O-])CCN(Cc1c(Cl)cccc1Cl)CC1CC1 ZINC000652468782 1023881425 /nfs/dbraw/zinc/88/14/25/1023881425.db2.gz RMCXOFNTRIOQLK-UHFFFAOYSA-N -1 1 302.201 3.680 20 0 DHADMM O=C(NCC1(c2ccccc2)CCCCCC1)c1cncc([O-])c1 ZINC001143522820 1023973981 /nfs/dbraw/zinc/97/39/81/1023973981.db2.gz NHWHLFTYJBYDNM-UHFFFAOYSA-N -1 1 324.424 3.809 20 0 DHADMM CC1(C)CCC[C@@H](CSc2nc(C(F)F)cc(=O)[n-]2)O1 ZINC000882170282 1023983787 /nfs/dbraw/zinc/98/37/87/1023983787.db2.gz NYLQEPZFVXCPMP-QMMMGPOBSA-N -1 1 304.362 3.560 20 0 DHADMM [O-]c1c(Cl)cc(Cl)cc1C=NNc1ccc(Cl)nn1 ZINC000254730474 1023996921 /nfs/dbraw/zinc/99/69/21/1023996921.db2.gz SGXVUVPJMPIKFN-UHFFFAOYSA-N -1 1 317.563 3.588 20 0 DHADMM CCCCOc1ccc(C(=O)NOC2CCCCC2)c([O-])c1 ZINC000789851639 1024176989 /nfs/dbraw/zinc/17/69/89/1024176989.db2.gz SUONANDZYNYITC-UHFFFAOYSA-N -1 1 307.390 3.565 20 0 DHADMM COc1cccc([C@H](C)CC(=O)Nc2nc(Cl)ccc2[O-])c1 ZINC000789931718 1024184879 /nfs/dbraw/zinc/18/48/79/1024184879.db2.gz KBQSGOQBPFVLDO-SNVBAGLBSA-N -1 1 320.776 3.582 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])[C@H]1CCCc2sccc21 ZINC000790051674 1024213867 /nfs/dbraw/zinc/21/38/67/1024213867.db2.gz PPNSOPOLCNJBRU-VIFPVBQESA-N -1 1 308.790 3.561 20 0 DHADMM Cc1c2cc(F)ccc2oc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790047311 1024214117 /nfs/dbraw/zinc/21/41/17/1024214117.db2.gz CNMZAMAYYQNROC-UHFFFAOYSA-N -1 1 320.707 3.887 20 0 DHADMM Cc1oc2ccccc2c1CC(=O)Nc1nc(Cl)ccc1[O-] ZINC000790055150 1024216251 /nfs/dbraw/zinc/21/62/51/1024216251.db2.gz DPVSBSXSMQZQHT-UHFFFAOYSA-N -1 1 316.744 3.676 20 0 DHADMM CC(C)=CCC[C@@H](C)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632393627 1024246502 /nfs/dbraw/zinc/24/65/02/1024246502.db2.gz VJPSZNIOPJHKRB-SNVBAGLBSA-N -1 1 307.362 3.630 20 0 DHADMM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1[O-] ZINC000531756388 1024300169 /nfs/dbraw/zinc/30/01/69/1024300169.db2.gz ZWBULFFXFPGLAW-SECBINFHSA-N -1 1 309.724 3.591 20 0 DHADMM O=S(=O)([N-]c1ccc(F)c(F)c1F)c1ccccc1Cl ZINC000007405034 1024409293 /nfs/dbraw/zinc/40/92/93/1024409293.db2.gz JNHVINNGNSHHPL-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM CC(C)c1nnc([N-]C(=O)c2cc(F)c(Cl)cc2F)s1 ZINC000134454915 1033216112 /nfs/dbraw/zinc/21/61/12/1033216112.db2.gz ZUYRXTQDMAMOJX-UHFFFAOYSA-N -1 1 317.748 3.845 20 0 DHADMM CN(C)C(=O)Sc1ccc(-c2ccc([O-])c(F)c2F)nc1 ZINC001243339937 1024522558 /nfs/dbraw/zinc/52/25/58/1024522558.db2.gz TUYOSKJSIUNUGW-UHFFFAOYSA-N -1 1 310.325 3.506 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(-c2cccs2)[nH]n1 ZINC000111668009 1024548514 /nfs/dbraw/zinc/54/85/14/1024548514.db2.gz ZYMRJDRPSNPFEC-UHFFFAOYSA-N -1 1 319.773 3.750 20 0 DHADMM CCSc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000111667238 1024549706 /nfs/dbraw/zinc/54/97/06/1024549706.db2.gz PZLFXIARVUJBRF-UHFFFAOYSA-N -1 1 308.790 3.805 20 0 DHADMM O=C(Nc1nc2ccccc2[nH]1)c1ccc2ccccc2c1[O-] ZINC000005974948 1024565485 /nfs/dbraw/zinc/56/54/85/1024565485.db2.gz YNROTJIYSVXXPT-UHFFFAOYSA-N -1 1 303.321 3.674 20 0 DHADMM O=C(c1cncc([O-])c1)N1CCc2cc(-c3ccccc3)ccc21 ZINC000532273686 1024592474 /nfs/dbraw/zinc/59/24/74/1024592474.db2.gz ZJRRCYRHZBCVSA-UHFFFAOYSA-N -1 1 316.360 3.657 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)NC1CCCCC1 ZINC001202616147 1024612280 /nfs/dbraw/zinc/61/22/80/1024612280.db2.gz ZXIAVYZQIOCHBJ-UHFFFAOYSA-N -1 1 313.195 3.609 20 0 DHADMM CC[C@@H]1[C@@H](C)CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000187410729 1025107479 /nfs/dbraw/zinc/10/74/79/1025107479.db2.gz XAPALAPXERHMEL-JOYOIKCWSA-N -1 1 301.308 3.672 20 0 DHADMM CC[C@@H](C)[C@H]([N-]C(=O)C(F)(F)Cc1ccccc1)C(F)(F)F ZINC000793970546 1025202081 /nfs/dbraw/zinc/20/20/81/1025202081.db2.gz BTRQBAPWZWYJKM-PWSUYJOCSA-N -1 1 323.305 3.958 20 0 DHADMM Cc1nc(-c2ccc(NC[C@@H]3C[C@@H]3[C@@H]3C[C@H]3C)nc2)[n-]c(=O)c1C ZINC000884649508 1025208948 /nfs/dbraw/zinc/20/89/48/1025208948.db2.gz FUPFDVXDJBDFMA-NWLYGAKOSA-N -1 1 324.428 3.565 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CCOc2ccc(Cl)cc21 ZINC000353868161 1025271764 /nfs/dbraw/zinc/27/17/64/1025271764.db2.gz CXXGWVBQJLJOTJ-LLVKDONJSA-N -1 1 321.735 3.690 20 0 DHADMM CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)C1=CCCCC1 ZINC000829824483 1025334287 /nfs/dbraw/zinc/33/42/87/1025334287.db2.gz QRHHFBAKFDUIJQ-UHFFFAOYSA-N -1 1 313.394 3.813 20 0 DHADMM C[C@H]1CCCC[C@H]1OCC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885676668 1025378278 /nfs/dbraw/zinc/37/82/78/1025378278.db2.gz RGDQCJDEFJFNMY-LKFCYVNXSA-N -1 1 315.772 3.719 20 0 DHADMM C[C@H]1CCC[C@H](OCC(=O)Nc2cc(F)c([O-])cc2Cl)C1 ZINC000885676519 1025378552 /nfs/dbraw/zinc/37/85/52/1025378552.db2.gz PSTUKFNXJIDWHZ-UWVGGRQHSA-N -1 1 315.772 3.719 20 0 DHADMM CSCC1(CC(=O)Nc2cc(F)c([O-])cc2Cl)CC1 ZINC000885679732 1025380973 /nfs/dbraw/zinc/38/09/73/1025380973.db2.gz FWUULCDBEZLRHG-UHFFFAOYSA-N -1 1 303.786 3.657 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@@H]1CCCC(F)(F)C1 ZINC000885678033 1025381183 /nfs/dbraw/zinc/38/11/83/1025381183.db2.gz HCHATJFUTKPQQT-SSDOTTSWSA-N -1 1 307.699 3.949 20 0 DHADMM CCCCC[C@@H](C)CC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129759875 1025410469 /nfs/dbraw/zinc/41/04/69/1025410469.db2.gz UYIOEYKHJADBSL-GFCCVEGCSA-N -1 1 305.422 3.606 20 0 DHADMM CCCc1cc(C(=O)[N-]c2c(F)ccc(OCC)c2F)no1 ZINC000410628513 1025473169 /nfs/dbraw/zinc/47/31/69/1025473169.db2.gz XYLMTUAMFXUYJP-UHFFFAOYSA-N -1 1 310.300 3.556 20 0 DHADMM C[C@@]1(CNC(=O)c2c(F)ccc([O-])c2F)C[C@H]1c1ccccc1 ZINC000355033691 1025585422 /nfs/dbraw/zinc/58/54/22/1025585422.db2.gz XGHSHLYZPRVUPY-SGTLLEGYSA-N -1 1 317.335 3.594 20 0 DHADMM Cc1ccc(O)c(C[N@H+](C)[C@@H](c2ccccc2)c2ccccn2)n1 ZINC000130924825 1025673832 /nfs/dbraw/zinc/67/38/32/1025673832.db2.gz GUNBSGNXZOWFKT-FQEVSTJZSA-N -1 1 319.408 3.712 20 0 DHADMM Cc1cccc2nc(-c3cccc(NC(=O)C(C)C)c3)[n-]c(=O)c12 ZINC000614113978 1025731424 /nfs/dbraw/zinc/73/14/24/1025731424.db2.gz ZFSREZMFQWNYSE-UHFFFAOYSA-N -1 1 321.380 3.905 20 0 DHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000806449132 1025894404 /nfs/dbraw/zinc/89/44/04/1025894404.db2.gz RHIHGDVMIAJTBE-JKSUJKDBSA-N -1 1 319.364 3.525 20 0 DHADMM CCCCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(F)c([O-])c2)C1(C)C ZINC001137233779 1026007430 /nfs/dbraw/zinc/00/74/30/1026007430.db2.gz BRQDYIXMAWSVKS-CVEARBPZSA-N -1 1 323.408 3.587 20 0 DHADMM CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc([O-])c2F)C1(C)C ZINC001137234988 1026016482 /nfs/dbraw/zinc/01/64/82/1026016482.db2.gz YPJUQYDDZKVYKK-HUUCEWRRSA-N -1 1 323.408 3.587 20 0 DHADMM C[C@@H]1CCC[C@@H](C)C1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC001211796451 1026034929 /nfs/dbraw/zinc/03/49/29/1026034929.db2.gz HUTNLWRNICVQDG-VXGBXAGGSA-N -1 1 307.415 3.536 20 0 DHADMM O=S(=O)([N-]c1ccc2[nH]ccc2c1)c1ccc2ncccc2c1 ZINC000356717978 1026143272 /nfs/dbraw/zinc/14/32/72/1026143272.db2.gz ZJUMJFACXUKXPB-UHFFFAOYSA-N -1 1 323.377 3.517 20 0 DHADMM O=C([N-]Cc1ccc(F)c(F)c1)C(F)(F)c1ccccc1F ZINC000765598047 1026260691 /nfs/dbraw/zinc/26/06/91/1026260691.db2.gz AHVHRBXJBRNILY-UHFFFAOYSA-N -1 1 315.241 3.512 20 0 DHADMM C[C@H](C1CC1)n1nccc1NCc1c([O-])ccc(Cl)c1F ZINC000190933802 1026299456 /nfs/dbraw/zinc/29/94/56/1026299456.db2.gz YLQWGYQLPFYENA-SECBINFHSA-N -1 1 309.772 3.964 20 0 DHADMM Cc1ccc(-c2c(F)c([O-])ccc2Cl)cc1S(C)(=O)=O ZINC001244540586 1026764213 /nfs/dbraw/zinc/76/42/13/1026764213.db2.gz BURGMCYPUBFGEY-UHFFFAOYSA-N -1 1 314.765 3.564 20 0 DHADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c(C)n1 ZINC000414464917 1026852855 /nfs/dbraw/zinc/85/28/55/1026852855.db2.gz ZPWWBUYLJGTGFW-UHFFFAOYSA-N -1 1 324.833 3.769 20 0 DHADMM O=S(=O)(/C=C/c1ccc(F)cc1)[N-]c1cc(C2CC2)ccn1 ZINC000811838039 1027098709 /nfs/dbraw/zinc/09/87/09/1027098709.db2.gz PZQVRPBQCWPUJR-CSKARUKUSA-N -1 1 318.373 3.511 20 0 DHADMM Oc1cccnc1C[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000561950421 1027139788 /nfs/dbraw/zinc/13/97/88/1027139788.db2.gz CYHXUQSLKBDIQE-MRXNPFEDSA-N -1 1 304.340 3.793 20 0 DHADMM C[C@H](C(=O)[N-]OC/C=C/Cl)c1ccc(C(F)(F)F)cc1 ZINC000812408929 1027286781 /nfs/dbraw/zinc/28/67/81/1027286781.db2.gz UTZZVXQSWNQODV-NOKZVFQSSA-N -1 1 307.699 3.609 20 0 DHADMM COc1cccc(-c2n[nH]cc2C=CC(=O)c2ccc([O-])cc2)c1 ZINC000047168613 1027532541 /nfs/dbraw/zinc/53/25/41/1027532541.db2.gz XQNMVWPDQYSXLG-JXMROGBWSA-N -1 1 320.348 3.687 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cccc2ccc(=O)[nH]c21 ZINC000813494329 1027651701 /nfs/dbraw/zinc/65/17/01/1027651701.db2.gz HXDZLCJZTNNUMY-UHFFFAOYSA-N -1 1 314.728 3.552 20 0 DHADMM CCC(=O)Nc1ccccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000813494396 1027654176 /nfs/dbraw/zinc/65/41/76/1027654176.db2.gz KICUHOBCYWUTRB-UHFFFAOYSA-N -1 1 318.760 3.646 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1c1cccnc1 ZINC000363495935 1027654619 /nfs/dbraw/zinc/65/46/19/1027654619.db2.gz KEANHFFNLFSWER-SFHVURJKSA-N -1 1 318.376 3.918 20 0 DHADMM Cc1cc(CN(Cc2cccc(F)c2)C2CC2)oc1C(=O)[O-] ZINC000576879078 1027672469 /nfs/dbraw/zinc/67/24/69/1027672469.db2.gz BLPREBZJPZGQOK-UHFFFAOYSA-N -1 1 303.333 3.590 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CN1CCC[C@@H]1c1cccc(F)c1 ZINC000578241988 1028098243 /nfs/dbraw/zinc/09/82/43/1028098243.db2.gz DZNOQUUDVZUSOS-OAHLLOKOSA-N -1 1 303.333 3.762 20 0 DHADMM CCc1nc(SC[C@@H]2CCC3(CCCC3)O2)[n-]c(=O)c1C ZINC000578381333 1028136825 /nfs/dbraw/zinc/13/68/25/1028136825.db2.gz ULOAGNLHXSHDPV-LBPRGKRZSA-N -1 1 308.447 3.637 20 0 DHADMM CCc1nc(SCCO[C@@H]2CCCC[C@H]2C)[n-]c(=O)c1C ZINC000578523993 1028171221 /nfs/dbraw/zinc/17/12/21/1028171221.db2.gz YACBGNTYWUVTFG-BXUZGUMPSA-N -1 1 310.463 3.740 20 0 DHADMM [O-]c1cccc(CNCc2c(F)cc(F)cc2F)c1Cl ZINC000815151133 1028405681 /nfs/dbraw/zinc/40/56/81/1028405681.db2.gz AXFHKNGBCDMGTP-UHFFFAOYSA-N -1 1 301.695 3.753 20 0 DHADMM CCc1cc(=O)[n-]c(SC[C@@H]2CCC3(CCCCC3)O2)n1 ZINC000368915227 1028423449 /nfs/dbraw/zinc/42/34/49/1028423449.db2.gz SELHZGGKVZVCQI-ZDUSSCGKSA-N -1 1 308.447 3.719 20 0 DHADMM CCOc1cc(C(=O)N2CCC23CCCCC3)cc(Cl)c1[O-] ZINC000370059755 1028560759 /nfs/dbraw/zinc/56/07/59/1028560759.db2.gz KUNCWAFWOWWAFV-UHFFFAOYSA-N -1 1 323.820 3.993 20 0 DHADMM Cc1nc(CN(C)[C@@H](C)CC(=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000565250808 1028562872 /nfs/dbraw/zinc/56/28/72/1028562872.db2.gz QSXNKATVDUPMPA-JTQLQIEISA-N -1 1 322.792 3.598 20 0 DHADMM O=C(Nc1ccc(N2CCCC2)c(F)c1)c1cc(F)ccc1[O-] ZINC000748032776 1028632608 /nfs/dbraw/zinc/63/26/08/1028632608.db2.gz HQBARRSTMILCEW-UHFFFAOYSA-N -1 1 318.323 3.523 20 0 DHADMM COc1cc(Cl)c([N-]S(=O)(=O)c2cccs2)cc1C ZINC000565853259 1028644872 /nfs/dbraw/zinc/64/48/72/1028644872.db2.gz BTHMSPPQERIVSR-UHFFFAOYSA-N -1 1 317.819 3.519 20 0 DHADMM Cc1cc(CN2CCC[C@@H]2c2cccc(F)c2)oc1C(=O)[O-] ZINC000566359373 1028710840 /nfs/dbraw/zinc/71/08/40/1028710840.db2.gz SCFDMCXDVYFKBR-OAHLLOKOSA-N -1 1 303.333 3.762 20 0 DHADMM Cc1[n-][nH]c(=O)c1NC(=O)c1sc2ccccc2c1Cl ZINC000816741339 1028996417 /nfs/dbraw/zinc/99/64/17/1028996417.db2.gz HVQOTAFYZAEFMH-UHFFFAOYSA-N -1 1 307.762 3.544 20 0 DHADMM Cc1ccc(C)c([C@H]2CN(CCCCCC(=O)[O-])[C@@H](C)CO2)c1 ZINC000568065829 1029004019 /nfs/dbraw/zinc/00/40/19/1029004019.db2.gz IFIBEXJCHNASGJ-FUHWJXTLSA-N -1 1 319.445 3.710 20 0 DHADMM C[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])C[C@H](C)C1(F)F ZINC000628386910 1029027905 /nfs/dbraw/zinc/02/79/05/1029027905.db2.gz IRPUPDGKJJZHEK-TXEJJXNPSA-N -1 1 319.351 3.909 20 0 DHADMM CC1(C)CN(C(=O)c2c([O-])cccc2Cl)[C@@H]1c1ccncc1 ZINC000817174966 1029088592 /nfs/dbraw/zinc/08/85/92/1029088592.db2.gz CSSWMDAYNXKNEH-OAHLLOKOSA-N -1 1 316.788 3.664 20 0 DHADMM C[C@@H](C(=O)[N-]OC1CCCCC1)c1cn(C)c2ccccc12 ZINC000779323309 1029094898 /nfs/dbraw/zinc/09/48/98/1029094898.db2.gz MSJIEZXNYOLLRG-CYBMUJFWSA-N -1 1 300.402 3.662 20 0 DHADMM COc1ccc2cc([C@H](C)C(=O)[N-]OCCC3CC3)ccc2c1 ZINC000817393846 1029144796 /nfs/dbraw/zinc/14/47/96/1029144796.db2.gz YEWXFMGJSSKKSU-ZDUSSCGKSA-N -1 1 313.397 3.800 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CN1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000568992514 1029157135 /nfs/dbraw/zinc/15/71/35/1029157135.db2.gz NISJEALJROQAKL-GFCCVEGCSA-N -1 1 319.323 3.697 20 0 DHADMM O=C(c1c(F)ccc([O-])c1F)N1CC=C(c2cccs2)CC1 ZINC000374008449 1029186361 /nfs/dbraw/zinc/18/63/61/1029186361.db2.gz FDYIDVILSPKHMJ-UHFFFAOYSA-N -1 1 321.348 3.661 20 0 DHADMM COc1ccc2c(c1)[C@@H](C(=O)Nc1cccc(F)c1[O-])CCC2 ZINC000628959823 1029195973 /nfs/dbraw/zinc/19/59/73/1029195973.db2.gz BPOMNONDPLCXLO-ZDUSSCGKSA-N -1 1 315.344 3.599 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000628961278 1029196111 /nfs/dbraw/zinc/19/61/11/1029196111.db2.gz ZKPPPCOKPKPVSX-IUCAKERBSA-N -1 1 305.271 3.839 20 0 DHADMM C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2cccc(F)c2[O-])o1 ZINC000628960550 1029196357 /nfs/dbraw/zinc/19/63/57/1029196357.db2.gz IEJJVFDDHKPPPD-CMPLNLGQSA-N -1 1 303.333 3.819 20 0 DHADMM CC[C@](C)(NC(=O)c1c([O-])cccc1F)c1ccc(F)cc1 ZINC001170873303 1029208966 /nfs/dbraw/zinc/20/89/66/1029208966.db2.gz GQSMEOCXSGBHIY-KRWDZBQOSA-N -1 1 305.324 3.726 20 0 DHADMM CCc1nc(SCCCN(C)c2ccccc2)[n-]c(=O)c1C ZINC000569988142 1029298093 /nfs/dbraw/zinc/29/80/93/1029298093.db2.gz FFVDDEPYHCBAIV-UHFFFAOYSA-N -1 1 317.458 3.672 20 0 DHADMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)Cc2ccc(C)cc2)n[nH]1 ZINC000570123966 1029319275 /nfs/dbraw/zinc/31/92/75/1029319275.db2.gz YFSZBBNRIWBJRZ-CYBMUJFWSA-N -1 1 321.446 3.564 20 0 DHADMM COC1(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CCC1 ZINC000529538585 1029400523 /nfs/dbraw/zinc/40/05/23/1029400523.db2.gz GAHWUQLSXOLOAN-UHFFFAOYSA-N -1 1 305.761 3.706 20 0 DHADMM CC[C@@H](CCc1ccccc1)NC(=O)c1ccc([O-])cc1F ZINC000529799700 1029578364 /nfs/dbraw/zinc/57/83/64/1029578364.db2.gz MYBRSGDKUSKGES-AWEZNQCLSA-N -1 1 301.361 3.673 20 0 DHADMM Cc1nc(-c2ccc(NC[C@@H]3C[C@H]3C(C)C)nc2)[n-]c(=O)c1C ZINC000450807247 1029672674 /nfs/dbraw/zinc/67/26/74/1029672674.db2.gz GLNVBXXWINVCLE-GJZGRUSLSA-N -1 1 312.417 3.565 20 0 DHADMM C[C@H]1CC(F)(F)CCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000530016309 1029707226 /nfs/dbraw/zinc/70/72/26/1029707226.db2.gz SKNIYIXTEYBOMB-NSHDSACASA-N -1 1 305.324 3.805 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])c1ccc(OC2CCCC2)nc1 ZINC000530005405 1029710668 /nfs/dbraw/zinc/71/06/68/1029710668.db2.gz JXYQSWLDEXFABC-UHFFFAOYSA-N -1 1 316.332 3.500 20 0 DHADMM CCc1c(C(=O)Nc2cccc(F)c2[O-])cnn1C(CC)CC ZINC000530004147 1029710863 /nfs/dbraw/zinc/71/08/63/1029710863.db2.gz CBVHPCAQNPERHM-UHFFFAOYSA-N -1 1 319.380 3.904 20 0 DHADMM CC(C)(CC(=O)CSc1nc(C2CC2)cc(=O)[n-]1)C1CC1 ZINC000450913587 1029737043 /nfs/dbraw/zinc/73/70/43/1029737043.db2.gz VLWIUMSEJDCIBY-UHFFFAOYSA-N -1 1 306.431 3.547 20 0 DHADMM CC(C)Oc1ccc(Cl)cc1[N-]S(=O)(=O)CCCCF ZINC000451047996 1029776314 /nfs/dbraw/zinc/77/63/14/1029776314.db2.gz DKGHRYSUPXFLEV-UHFFFAOYSA-N -1 1 323.817 3.619 20 0 DHADMM O=S(=O)([N-]c1ccc2nc(Cl)sc2c1)c1ccccc1 ZINC000821097292 1029815059 /nfs/dbraw/zinc/81/50/59/1029815059.db2.gz QYLIFFKOUDULQI-UHFFFAOYSA-N -1 1 324.814 3.751 20 0 DHADMM CCOc1ccccc1[C@@H](CC)NC(=O)c1cc(F)ccc1[O-] ZINC001136504733 1029876021 /nfs/dbraw/zinc/87/60/21/1029876021.db2.gz MJONVKJZDPBZTI-OAHLLOKOSA-N -1 1 317.360 3.811 20 0 DHADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c1 ZINC000193473881 1029929920 /nfs/dbraw/zinc/92/99/20/1029929920.db2.gz UGZXGDIWAZZJGI-UHFFFAOYSA-N -1 1 300.383 3.586 20 0 DHADMM Cc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC001256790103 1029972927 /nfs/dbraw/zinc/97/29/27/1029972927.db2.gz AGGQQPUCQHECAV-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM CCCn1ncc(C(=O)Nc2ccc([O-])c(Cl)c2)c1C1CC1 ZINC000357369815 1030020273 /nfs/dbraw/zinc/02/02/73/1030020273.db2.gz GLZMKCRWQJDHIB-UHFFFAOYSA-N -1 1 319.792 3.782 20 0 DHADMM [O-]c1cccc(CNc2cccc3c2OCCCO3)c1Cl ZINC000865850543 1030059136 /nfs/dbraw/zinc/05/91/36/1030059136.db2.gz SFQDRGMQGWZTKI-UHFFFAOYSA-N -1 1 305.761 3.819 20 0 DHADMM CCCC[C@@H]1CCC[C@H]1NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001136601561 1030076188 /nfs/dbraw/zinc/07/61/88/1030076188.db2.gz ZDPGQZMFDRDUDW-CZUORRHYSA-N -1 1 303.402 3.602 20 0 DHADMM CN(OCc1ccccc1)C(=O)c1ccc2ccccc2c1[O-] ZINC000121208330 1030436579 /nfs/dbraw/zinc/43/65/79/1030436579.db2.gz BMLKEOCTZGTTAL-UHFFFAOYSA-N -1 1 307.349 3.749 20 0 DHADMM Cc1cnc(C(=O)N(Cc2cccc(Cl)c2)C(C)C)c([O-])c1 ZINC000358625151 1030563352 /nfs/dbraw/zinc/56/33/52/1030563352.db2.gz CDYAFLSOQDHIPN-UHFFFAOYSA-N -1 1 318.804 3.800 20 0 DHADMM CC(C)c1nc(CSc2nc(C(F)F)cc(=O)[n-]2)cs1 ZINC000558462507 1030585981 /nfs/dbraw/zinc/58/59/81/1030585981.db2.gz FZFKDCHHDSGWHP-UHFFFAOYSA-N -1 1 317.386 3.992 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CC2(CCC2)[C@H]1C1CC1 ZINC000291814934 1030654683 /nfs/dbraw/zinc/65/46/83/1030654683.db2.gz BWKOKUDSFSSNST-GOSISDBHSA-N -1 1 307.393 3.950 20 0 DHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@@H](C)C(C)C)c1 ZINC000825011774 1030685103 /nfs/dbraw/zinc/68/51/03/1030685103.db2.gz WNKWSWGNEIINEN-NSHDSACASA-N -1 1 302.340 3.630 20 0 DHADMM CCSCC[C@@H](C)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001137013010 1030764924 /nfs/dbraw/zinc/76/49/24/1030764924.db2.gz OXVYBPCSVCSZKC-LLVKDONJSA-N -1 1 319.426 3.513 20 0 DHADMM CCOc1cc(C(=O)N2CCC[C@H](C3CC3)C2)cc(Cl)c1[O-] ZINC000292136543 1030834225 /nfs/dbraw/zinc/83/42/25/1030834225.db2.gz SBYFVARBNQRUIS-LBPRGKRZSA-N -1 1 323.820 3.707 20 0 DHADMM CCC[C@H](Cc1ccccc1)NC(=O)c1cccc([O-])c1F ZINC001143696696 1030909624 /nfs/dbraw/zinc/90/96/24/1030909624.db2.gz MWKRASCCXHGONC-CQSZACIVSA-N -1 1 301.361 3.673 20 0 DHADMM CC(C)N(C)c1cccc(NC(=O)c2cccc([O-])c2F)c1 ZINC001143980447 1031146354 /nfs/dbraw/zinc/14/63/54/1031146354.db2.gz CAESEWJWPWRTCI-UHFFFAOYSA-N -1 1 302.349 3.628 20 0 DHADMM O=C(NOCCCC(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000871212555 1031163376 /nfs/dbraw/zinc/16/33/76/1031163376.db2.gz YEZXVNADTQKPRW-UHFFFAOYSA-N -1 1 313.275 3.549 20 0 DHADMM Cc1nc(SCc2scnc2Cl)[n-]c(=O)c1C1CC1 ZINC000871679569 1031264798 /nfs/dbraw/zinc/26/47/98/1031264798.db2.gz NIBAHOLSBVBCSB-UHFFFAOYSA-N -1 1 313.835 3.770 20 0 DHADMM CCc1[n-]n(-c2nc3cc(Cl)ccc3cc2C)c(=O)c1F ZINC000871958828 1031389869 /nfs/dbraw/zinc/38/98/69/1031389869.db2.gz GHHZGBKHVNTXRO-CYBMUJFWSA-N -1 1 305.740 3.647 20 0 DHADMM [O-]c1c(-c2nc(CCC3CCOCC3)no2)ccc2ccccc21 ZINC000293302208 1031418397 /nfs/dbraw/zinc/41/83/97/1031418397.db2.gz XUMYJZDHHQBVLX-UHFFFAOYSA-N -1 1 324.380 3.955 20 0 DHADMM C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])[C@H]1c1ccccc1 ZINC000536724437 1031423997 /nfs/dbraw/zinc/42/39/97/1031423997.db2.gz CHCPISKZXSHSNA-BDJLRTHQSA-N -1 1 301.773 3.879 20 0 DHADMM C[C@@H](c1cccc(Cl)c1)N1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1 ZINC000872168563 1031548064 /nfs/dbraw/zinc/54/80/64/1031548064.db2.gz YGIKGBXLDOPQOH-UWJYBYFXSA-N -1 1 321.726 3.596 20 0 DHADMM Cc1nc(SCc2ncc(-c3ccccc3)o2)[n-]c(=O)c1C ZINC000537413663 1031596335 /nfs/dbraw/zinc/59/63/35/1031596335.db2.gz TUQGEBBCZFGNGN-UHFFFAOYSA-N -1 1 313.382 3.746 20 0 DHADMM COc1ccc(C2CC2)c([N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000872414869 1031602936 /nfs/dbraw/zinc/60/29/36/1031602936.db2.gz RSICEDVVZQOWDK-UHFFFAOYSA-N -1 1 317.410 3.682 20 0 DHADMM Cc1ccc([C@H]2CCCN2Cc2c(F)cc([O-])cc2F)cn1 ZINC001144558911 1031711369 /nfs/dbraw/zinc/71/13/69/1031711369.db2.gz FIZNKACDINUDGU-QGZVFWFLSA-N -1 1 304.340 3.711 20 0 DHADMM CCN(Cc1ccc(OC)cc1)Cc1c(F)cc([O-])cc1F ZINC001144561613 1031713138 /nfs/dbraw/zinc/71/31/38/1031713138.db2.gz KCFLZMSRQTYCJA-UHFFFAOYSA-N -1 1 307.340 3.701 20 0 DHADMM COc1cccc([N-]S(=O)(=O)c2cccc3ccccc32)c1 ZINC000035685898 1031733471 /nfs/dbraw/zinc/73/34/71/1031733471.db2.gz GZQZQDIDXGCORT-UHFFFAOYSA-N -1 1 313.378 3.649 20 0 DHADMM Cc1ccccc1O[C@@H]1CCN(Cc2cc(F)c([O-])cc2F)C1 ZINC001144665914 1031802554 /nfs/dbraw/zinc/80/25/54/1031802554.db2.gz DEBVVJXXTADWNR-CQSZACIVSA-N -1 1 319.351 3.632 20 0 DHADMM C[C@H](CC(C)(C)C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000361386753 1031900387 /nfs/dbraw/zinc/90/03/87/1031900387.db2.gz OPCAWWNWBUWPBD-LLVKDONJSA-N -1 1 301.390 3.793 20 0 DHADMM CC(C)(Cc1ccc(O)cc1)C(=O)Nc1cc(F)cc(F)c1[O-] ZINC001142546026 1032000017 /nfs/dbraw/zinc/00/00/17/1032000017.db2.gz PBEKPWKCPPQGJH-UHFFFAOYSA-N -1 1 321.323 3.583 20 0 DHADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1SCCc2ccccc21 ZINC001142543022 1032006507 /nfs/dbraw/zinc/00/65/07/1032006507.db2.gz YWVIJHNNCYZTLF-OAHLLOKOSA-N -1 1 321.348 3.640 20 0 DHADMM Cn1nccc1[C@@H]1CCCCN1Cc1cccc([O-])c1Cl ZINC000294490529 1032026928 /nfs/dbraw/zinc/02/69/28/1032026928.db2.gz BDGPYTFSUDVMOG-AWEZNQCLSA-N -1 1 305.809 3.506 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2ccc3ncsc3c2)ccc1F ZINC000105590671 1032046176 /nfs/dbraw/zinc/04/61/76/1032046176.db2.gz GPAXTRMBPGYEEI-UHFFFAOYSA-N -1 1 322.386 3.545 20 0 DHADMM Cc1nc(C(C)C)oc1CNC(=O)c1ccc2ccccc2c1[O-] ZINC000615155607 1033453853 /nfs/dbraw/zinc/45/38/53/1033453853.db2.gz LDZLWRNZDUIKOK-UHFFFAOYSA-N -1 1 324.380 3.895 20 0 DHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC[C@@H]1C1CCCC1 ZINC000889413891 1033665805 /nfs/dbraw/zinc/66/58/05/1033665805.db2.gz JDVWSFIFFQSWMH-QGZVFWFLSA-N -1 1 311.381 3.656 20 0 DHADMM CCOc1ccc(-c2noc(-c3ccncc3[O-])n2)cc1Cl ZINC001212721367 1033696657 /nfs/dbraw/zinc/69/66/57/1033696657.db2.gz MIQBKGRNZMCAHF-UHFFFAOYSA-N -1 1 317.732 3.556 20 0 DHADMM Cc1c(Cl)cc(Nc2ccccc2C(N)=O)c([O-])c1Cl ZINC001173980724 1034052410 /nfs/dbraw/zinc/05/24/10/1034052410.db2.gz AVZZLZZRJAZZQO-UHFFFAOYSA-N -1 1 311.168 3.850 20 0 DHADMM O=C([O-])C1=CC[C@H](Nc2ccnc3cc(C(F)(F)F)ccc32)C1 ZINC000863478768 1034108838 /nfs/dbraw/zinc/10/88/38/1034108838.db2.gz RHUXGEVCXSAPAF-NSHDSACASA-N -1 1 322.286 3.839 20 0 DHADMM O=C([N-]Oc1ccc(F)cc1)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000898573041 1034116102 /nfs/dbraw/zinc/11/61/02/1034116102.db2.gz GJSJIMCVCNGOTH-UWVGGRQHSA-N -1 1 305.271 3.604 20 0 DHADMM CC(C)NC(=O)c1ccc(Nc2c([O-])cc(F)cc2F)cc1 ZINC001174148506 1034173467 /nfs/dbraw/zinc/17/34/67/1034173467.db2.gz FOPZRDDOIOLFEM-UHFFFAOYSA-N -1 1 306.312 3.552 20 0 DHADMM O=C([N-]CCCSCC1CCC(F)(F)CC1)C(F)(F)F ZINC000842194811 1034321211 /nfs/dbraw/zinc/32/12/11/1034321211.db2.gz ZFQSPYZXLGNEDV-UHFFFAOYSA-N -1 1 319.339 3.614 20 0 DHADMM Cc1sc(C)c2c1[n-]c(Cc1ccc(Cl)nc1C)nc2=O ZINC000864355736 1034327695 /nfs/dbraw/zinc/32/76/95/1034327695.db2.gz PZPPHXMJNJJZFF-UHFFFAOYSA-N -1 1 319.817 3.961 20 0 DHADMM Cn1cc(-c2ccc(Nc3c([O-])cc(F)cc3F)cc2)cn1 ZINC001174377778 1034350041 /nfs/dbraw/zinc/35/00/41/1034350041.db2.gz IDGOLWOYNPDAMN-UHFFFAOYSA-N -1 1 301.296 3.815 20 0 DHADMM Cn1cc(-c2ccc(Nc3cc(F)c([O-])cc3F)cc2)cn1 ZINC001174379212 1034353158 /nfs/dbraw/zinc/35/31/58/1034353158.db2.gz HDQCAGKJKFOUBA-UHFFFAOYSA-N -1 1 301.296 3.815 20 0 DHADMM Cn1cc(-c2ccc(Nc3cc([O-])c(F)c(F)c3)cc2)cn1 ZINC001174380540 1034356184 /nfs/dbraw/zinc/35/61/84/1034356184.db2.gz RIIYJOCFDPMSTA-UHFFFAOYSA-N -1 1 301.296 3.815 20 0 DHADMM O=C([O-])CCc1cccc(CNCc2sccc2Cl)c1 ZINC000864518416 1034372843 /nfs/dbraw/zinc/37/28/43/1034372843.db2.gz JBGMNKBJDBFYSC-UHFFFAOYSA-N -1 1 309.818 3.709 20 0 DHADMM Cc1cc(Nc2cccc(C=CC(=O)[O-])c2)c2ccccc2n1 ZINC001174493969 1034411059 /nfs/dbraw/zinc/41/10/59/1034411059.db2.gz NWVTYWIVNZIDBV-MDZDMXLPSA-N -1 1 304.349 3.807 20 0 DHADMM [O-]c1c(F)c(F)ccc1Nc1ccc(N2CCCCC2)nc1 ZINC001174523377 1034481213 /nfs/dbraw/zinc/48/12/13/1034481213.db2.gz KKGDDRUWDFTWRA-UHFFFAOYSA-N -1 1 305.328 3.799 20 0 DHADMM CCc1nc(SCc2ccc(C)c(Cl)n2)[n-]c(=O)c1C ZINC000865369978 1034611303 /nfs/dbraw/zinc/61/13/03/1034611303.db2.gz FZNQZXGGXJKEIC-UHFFFAOYSA-N -1 1 309.822 3.702 20 0 DHADMM Cc1nc(SCc2csc(Cl)n2)[n-]c(=O)c1C1CC1 ZINC000865373072 1034613169 /nfs/dbraw/zinc/61/31/69/1034613169.db2.gz FEGMYZLSSWMFQN-UHFFFAOYSA-N -1 1 313.835 3.770 20 0 DHADMM Cc1noc([N-]c2cccc3c4ccccc4oc32)c1C(N)=O ZINC001174856201 1034647023 /nfs/dbraw/zinc/64/70/23/1034647023.db2.gz XXANHYCCNKBSGZ-UHFFFAOYSA-N -1 1 307.309 3.725 20 0 DHADMM CC(C)OC(=O)c1cccc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001174918051 1034681933 /nfs/dbraw/zinc/68/19/33/1034681933.db2.gz RSESDULWKOZNNK-UHFFFAOYSA-N -1 1 307.296 3.979 20 0 DHADMM Cc1nc(Cl)sc1C(=O)[N-]c1c(F)cc(F)cc1F ZINC000129364593 1034712732 /nfs/dbraw/zinc/71/27/32/1034712732.db2.gz QQUSCFPYAIRGTM-UHFFFAOYSA-N -1 1 306.696 3.775 20 0 DHADMM C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142643394 1034860228 /nfs/dbraw/zinc/86/02/28/1034860228.db2.gz SCBRZRDGNGEVDW-UHFFFAOYSA-N -1 1 307.752 3.809 20 0 DHADMM O=C([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001142643279 1034861052 /nfs/dbraw/zinc/86/10/52/1034861052.db2.gz OIRQYINTHXBSNN-GFCCVEGCSA-N -1 1 321.726 3.607 20 0 DHADMM O=C([O-])c1cc(Cl)ccc1CN1CC[C@@H](F)C(F)(F)CC1 ZINC001142643279 1034861059 /nfs/dbraw/zinc/86/10/59/1034861059.db2.gz OIRQYINTHXBSNN-GFCCVEGCSA-N -1 1 321.726 3.607 20 0 DHADMM CCOc1cccc(F)c1Nc1cc2ccc([O-])cc2oc1=O ZINC001175224315 1034874223 /nfs/dbraw/zinc/87/42/23/1034874223.db2.gz WPTUSGUPCPOPSZ-UHFFFAOYSA-N -1 1 315.300 3.780 20 0 DHADMM O=c1oc2cc([O-])ccc2cc1Nc1ccc2ncccc2c1 ZINC001175375835 1034959690 /nfs/dbraw/zinc/95/96/90/1034959690.db2.gz ZXGATCHIYVRNKC-UHFFFAOYSA-N -1 1 304.305 3.790 20 0 DHADMM COc1ncc([N-]c2cc(-c3cccc(OC)c3)no2)s1 ZINC001175386968 1034965193 /nfs/dbraw/zinc/96/51/93/1034965193.db2.gz IGJFHLLNZGTEJD-UHFFFAOYSA-N -1 1 303.343 3.559 20 0 DHADMM CSc1ncc(Nc2c(Cl)ccc([O-])c2Cl)cn1 ZINC001175649632 1035060245 /nfs/dbraw/zinc/06/02/45/1035060245.db2.gz GZKQCMOEQNSLJY-UHFFFAOYSA-N -1 1 302.186 3.955 20 0 DHADMM COC(=O)c1cccc2nc([N-]c3cnc(C)s3)sc21 ZINC001212125589 1035108401 /nfs/dbraw/zinc/10/84/01/1035108401.db2.gz FIGSGEQUQSXDQJ-UHFFFAOYSA-N -1 1 305.384 3.591 20 0 DHADMM Brc1cccc(-c2cc([N-]c3cscn3)on2)n1 ZINC001175940638 1035152787 /nfs/dbraw/zinc/15/27/87/1035152787.db2.gz HVINGURXKULRAU-UHFFFAOYSA-N -1 1 323.175 3.699 20 0 DHADMM COc1cccc2[nH]c(Nc3cc4ccc([O-])cc4oc3=O)cc21 ZINC001176061612 1035198973 /nfs/dbraw/zinc/19/89/73/1035198973.db2.gz KGMWDBSZGZLWIH-UHFFFAOYSA-N -1 1 322.320 3.732 20 0 DHADMM CCOC(=O)c1cc([N-]c2c(F)ccc3ccc(C)nc32)on1 ZINC001176116367 1035207762 /nfs/dbraw/zinc/20/77/62/1035207762.db2.gz ZOJNQWFTTRSIDP-UHFFFAOYSA-N -1 1 315.304 3.591 20 0 DHADMM Cc1nnc([N-]c2ccc(OC(C)C)cc2C(F)(F)F)o1 ZINC001176174313 1035212542 /nfs/dbraw/zinc/21/25/42/1035212542.db2.gz SLDOPLNSNXKLKZ-UHFFFAOYSA-N -1 1 301.268 3.928 20 0 DHADMM COc1cc(COC(=O)c2ccc([O-])cc2F)ccc1SC ZINC000773574250 1035252408 /nfs/dbraw/zinc/25/24/08/1035252408.db2.gz CQOVPJHUYDOSLD-UHFFFAOYSA-N -1 1 322.357 3.619 20 0 DHADMM O=C([O-])c1cc(Nc2ccncc2Oc2ccccc2)cs1 ZINC001176436980 1035264088 /nfs/dbraw/zinc/26/40/88/1035264088.db2.gz MTCABQDVZAQDGN-UHFFFAOYSA-N -1 1 312.350 3.799 20 0 DHADMM O=C(OCc1coc(-c2cccs2)n1)c1ccc([O-])cc1F ZINC000773578340 1035267910 /nfs/dbraw/zinc/26/79/10/1035267910.db2.gz GBEFOWIVOQOOIK-UHFFFAOYSA-N -1 1 319.313 3.605 20 0 DHADMM O=C(OCc1coc(-c2ccccc2)n1)c1ccc([O-])cc1F ZINC000773580149 1035272160 /nfs/dbraw/zinc/27/21/60/1035272160.db2.gz HWCOROQLMLIZGZ-UHFFFAOYSA-N -1 1 313.284 3.543 20 0 DHADMM CCOc1cc(C(=O)N[C@@H]2CC3CCC2CC3)cc(Cl)c1[O-] ZINC000483489570 1035273268 /nfs/dbraw/zinc/27/32/68/1035273268.db2.gz NSEMWXZPQORHAR-QIMFLAQGSA-N -1 1 323.820 3.753 20 0 DHADMM FC(F)(F)Oc1cccc([N-]c2nnc(-c3ccco3)o2)c1 ZINC001176536336 1035287149 /nfs/dbraw/zinc/28/71/49/1035287149.db2.gz UHZGJMXEUYHTOL-UHFFFAOYSA-N -1 1 311.219 3.972 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cnnc(Cl)c2Cl)c1F ZINC001176663398 1035309065 /nfs/dbraw/zinc/30/90/65/1035309065.db2.gz IQHZVXNXMWMKKY-UHFFFAOYSA-N -1 1 310.062 3.650 20 0 DHADMM COc1cc(Cl)ncc1Nc1c(F)cc(F)c([O-])c1F ZINC001176670480 1035309786 /nfs/dbraw/zinc/30/97/86/1035309786.db2.gz WFNRABRINWBMOJ-UHFFFAOYSA-N -1 1 304.655 3.610 20 0 DHADMM COc1ccc(Nc2c(F)cc(F)c([O-])c2F)c(OC)c1F ZINC001176670633 1035310856 /nfs/dbraw/zinc/31/08/56/1035310856.db2.gz IUUDMQCQZNHJEJ-UHFFFAOYSA-N -1 1 317.238 3.709 20 0 DHADMM COC(=O)c1ccc(C)c(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176673703 1035311679 /nfs/dbraw/zinc/31/16/79/1035311679.db2.gz WWPGGXNSZTZVBU-UHFFFAOYSA-N -1 1 311.259 3.648 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cccnc2C(F)(F)F)c1F ZINC001176663165 1035317983 /nfs/dbraw/zinc/31/79/83/1035317983.db2.gz CXBYDJWRVZLMKD-UHFFFAOYSA-N -1 1 308.181 3.967 20 0 DHADMM Cc1cc(C)c(CC(=O)NCc2ccc([O-])c(Cl)c2)c(C)c1 ZINC001176988320 1035342041 /nfs/dbraw/zinc/34/20/41/1035342041.db2.gz KPOVQBHHEBNYPD-UHFFFAOYSA-N -1 1 317.816 3.830 20 0 DHADMM C/C(=C/c1ccccc1)CN[C@@H](C)c1nc(C(=O)[O-])cs1 ZINC000904023910 1035342870 /nfs/dbraw/zinc/34/28/70/1035342870.db2.gz LNLHRKNOYYENLW-KGTBHZDVSA-N -1 1 302.399 3.595 20 0 DHADMM COc1ccc2oc(CN[C@H](CCCC(C)C)C(=O)[O-])cc2c1 ZINC000904035901 1035347858 /nfs/dbraw/zinc/34/78/58/1035347858.db2.gz IQDSWAGHJMRHIS-MRXNPFEDSA-N -1 1 319.401 3.811 20 0 DHADMM Cc1cc(F)ccc1[C@@H](C)NC(=O)c1c([O-])cccc1Cl ZINC001177316308 1035363893 /nfs/dbraw/zinc/36/38/93/1035363893.db2.gz YXJZAGQYWISGEI-SNVBAGLBSA-N -1 1 307.752 3.984 20 0 DHADMM COc1ccc(-c2noc(-c3cc(SC)ccc3[O-])n2)cc1 ZINC000904362132 1035404147 /nfs/dbraw/zinc/40/41/47/1035404147.db2.gz BVYJGXRDZKKINK-UHFFFAOYSA-N -1 1 314.366 3.840 20 0 DHADMM Cc1ncoc1-c1ccc(NC(=O)c2cccc([O-])c2F)cc1 ZINC001178330059 1035422687 /nfs/dbraw/zinc/42/26/87/1035422687.db2.gz LTEYLNCQPNOBOE-UHFFFAOYSA-N -1 1 312.300 3.747 20 0 DHADMM CCCCCCN(Cc1ccc(C)o1)C(=O)c1ccc([O-])cn1 ZINC001178320811 1035423273 /nfs/dbraw/zinc/42/32/73/1035423273.db2.gz LJJDYTJYHTXKHV-UHFFFAOYSA-N -1 1 316.401 3.911 20 0 DHADMM O=C(NCc1cc(Cl)ccn1)c1ccc2ccccc2c1[O-] ZINC000436733205 1035487218 /nfs/dbraw/zinc/48/72/18/1035487218.db2.gz UGRDAJZTOVFSSG-UHFFFAOYSA-N -1 1 312.756 3.524 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1c(F)cccc1F ZINC001179656604 1035487604 /nfs/dbraw/zinc/48/76/04/1035487604.db2.gz UQRVGYHJKSMNSQ-UHFFFAOYSA-N -1 1 301.651 3.715 20 0 DHADMM CCc1ccccc1CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC001179660446 1035488186 /nfs/dbraw/zinc/48/81/86/1035488186.db2.gz SANLLXZEGKXQKT-UHFFFAOYSA-N -1 1 307.752 3.928 20 0 DHADMM COCc1sccc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001179660497 1035488219 /nfs/dbraw/zinc/48/82/19/1035488219.db2.gz UJVCMWBNIQMKIH-UHFFFAOYSA-N -1 1 315.753 3.645 20 0 DHADMM CCc1cccc(CC(=O)Nc2cc(F)c([O-])cc2Cl)c1 ZINC001179660581 1035488344 /nfs/dbraw/zinc/48/83/44/1035488344.db2.gz XQAFPZPCVXRZJT-UHFFFAOYSA-N -1 1 307.752 3.928 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)N[C@@H]1CCc2ccccc21 ZINC001192995575 1035527170 /nfs/dbraw/zinc/52/71/70/1035527170.db2.gz MWDMNPSTHOGPCT-CQSZACIVSA-N -1 1 302.761 3.855 20 0 DHADMM CC1(C)CCC[C@H](CNC(=O)c2ccc3ccccc3c2[O-])O1 ZINC001180009228 1035566603 /nfs/dbraw/zinc/56/66/03/1035566603.db2.gz DHGNMDGZDHLXMQ-CQSZACIVSA-N -1 1 313.397 3.623 20 0 DHADMM C[C@@H](NC(=O)Nc1c(F)cc([O-])cc1F)c1ccc(F)cc1 ZINC001193147575 1035577486 /nfs/dbraw/zinc/57/74/86/1035577486.db2.gz HMIPMWZJTKNOFU-MRVPVSSYSA-N -1 1 310.275 3.692 20 0 DHADMM CCCCCCN(Cc1ccco1)C(=O)c1ncccc1[O-] ZINC001180200042 1035619571 /nfs/dbraw/zinc/61/95/71/1035619571.db2.gz FBWFRKYXEJNUBH-UHFFFAOYSA-N -1 1 302.374 3.603 20 0 DHADMM CC1(C)CC[C@@H](NCc2ccc(C(=O)[O-])cn2)c2ccccc21 ZINC000905724407 1035627930 /nfs/dbraw/zinc/62/79/30/1035627930.db2.gz KCMNVPXJMSMELD-QGZVFWFLSA-N -1 1 310.397 3.682 20 0 DHADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(CC)c2)c1 ZINC000195654139 1035630197 /nfs/dbraw/zinc/63/01/97/1035630197.db2.gz CMDFOIKNOVDOLR-UHFFFAOYSA-N -1 1 317.410 3.643 20 0 DHADMM O=C([O-])c1ccc(CNC2(c3cccc(Cl)c3)CCC2)nc1 ZINC000905726003 1035630636 /nfs/dbraw/zinc/63/06/36/1035630636.db2.gz CTOMYIDWRHKHKS-UHFFFAOYSA-N -1 1 316.788 3.602 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)OC1CCCC1 ZINC001193565947 1035666555 /nfs/dbraw/zinc/66/65/55/1035666555.db2.gz CDVRNBBNOHHOLQ-UHFFFAOYSA-N -1 1 300.152 3.646 20 0 DHADMM O=C(Nc1ccc([O-])c(Br)c1)OC1CCCC1 ZINC001193556145 1035673892 /nfs/dbraw/zinc/67/38/92/1035673892.db2.gz UHECDGGZODMPKX-UHFFFAOYSA-N -1 1 300.152 3.646 20 0 DHADMM CCCCCOC(=O)Nc1cccc([O-])c1Br ZINC001193774893 1035723843 /nfs/dbraw/zinc/72/38/43/1035723843.db2.gz FGMREJWAWBHYFT-UHFFFAOYSA-N -1 1 302.168 3.893 20 0 DHADMM CC(C)(C)COC(=O)Nc1cccc([O-])c1Br ZINC001194391660 1035920061 /nfs/dbraw/zinc/92/00/61/1035920061.db2.gz NCBHPHDFAGCGEH-UHFFFAOYSA-N -1 1 302.168 3.749 20 0 DHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)c1 ZINC000194034545 1035966373 /nfs/dbraw/zinc/96/63/73/1035966373.db2.gz PTVDFTFYCYZTJD-UHFFFAOYSA-N -1 1 319.426 3.721 20 0 DHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc2c(ccn2C)c1 ZINC001194633672 1035974425 /nfs/dbraw/zinc/97/44/25/1035974425.db2.gz DNVSWUKRKZVRRV-UHFFFAOYSA-N -1 1 314.410 3.596 20 0 DHADMM CC[C@@H](CC(C)C)C(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001181804355 1035996179 /nfs/dbraw/zinc/99/61/79/1035996179.db2.gz DBASTXNYVSRNLA-ZDUSSCGKSA-N -1 1 301.390 3.589 20 0 DHADMM COc1cc(O)cc(-c2nc3ccc(C(C)C)cc3c(=O)[n-]2)c1 ZINC000485892317 1036033858 /nfs/dbraw/zinc/03/38/58/1036033858.db2.gz XSRSBIDSWAHJLU-UHFFFAOYSA-N -1 1 310.353 3.840 20 0 DHADMM Cc1ccc2nc(NC(=O)c3cc([O-])cnc3Cl)sc2c1 ZINC001195298013 1036210487 /nfs/dbraw/zinc/21/04/87/1036210487.db2.gz LSYPUUDFSFXOBP-UHFFFAOYSA-N -1 1 319.773 3.611 20 0 DHADMM CC(C)[C@@H](NC(=O)c1cc([O-])cnc1Cl)c1ccc(F)cc1 ZINC001195311977 1036219899 /nfs/dbraw/zinc/21/98/99/1036219899.db2.gz DUFXZKYHNGWXIM-CQSZACIVSA-N -1 1 322.767 3.707 20 0 DHADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000229339250 1036264284 /nfs/dbraw/zinc/26/42/84/1036264284.db2.gz NLVVMADRPNBNRB-UHFFFAOYSA-N -1 1 315.316 3.522 20 0 DHADMM Cc1ccc(F)cc1NC(=S)Nc1cc([O-])c(F)cc1F ZINC001195912238 1036382536 /nfs/dbraw/zinc/38/25/36/1036382536.db2.gz MTVUQNBOFSKJDQ-UHFFFAOYSA-N -1 1 312.316 3.927 20 0 DHADMM [O-]c1c(F)cccc1NC(=S)NCc1cccc(Cl)c1 ZINC001195979784 1036398056 /nfs/dbraw/zinc/39/80/56/1036398056.db2.gz NMJNTYOXCYCPRE-UHFFFAOYSA-N -1 1 310.781 3.671 20 0 DHADMM Cc1cc(F)ccc1NC(=S)Nc1ccc([O-])c(F)c1F ZINC001196116686 1036455838 /nfs/dbraw/zinc/45/58/38/1036455838.db2.gz ZPZCJLILKSTFLH-UHFFFAOYSA-N -1 1 312.316 3.927 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000908707489 1036486279 /nfs/dbraw/zinc/48/62/79/1036486279.db2.gz IXYMWIOQILZJAB-OPRDCNLKSA-N -1 1 310.191 3.529 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)[C@H]1C[C@@H]1C1CCCC1 ZINC000908707528 1036486420 /nfs/dbraw/zinc/48/64/20/1036486420.db2.gz KFJVZSZLGPLKDV-MNOVXSKESA-N -1 1 324.218 3.920 20 0 DHADMM CC[C@@H](C)CCC(=O)Nc1cccc([O-])c1Br ZINC000908708579 1036487540 /nfs/dbraw/zinc/48/75/40/1036487540.db2.gz ZLNVFDLUNKXSIW-SECBINFHSA-N -1 1 300.196 3.920 20 0 DHADMM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1cccc([O-])c1Br ZINC000908711201 1036488982 /nfs/dbraw/zinc/48/89/82/1036488982.db2.gz ZWDKQKJTYVEVGB-XPTSAGLGSA-N -1 1 312.207 3.775 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)[C@@H]1CC12CCCC2 ZINC000908713935 1036490108 /nfs/dbraw/zinc/49/01/08/1036490108.db2.gz WBIDGJNPTYDVFB-VIFPVBQESA-N -1 1 310.191 3.674 20 0 DHADMM C[C@H]1CCC[C@H](C(=O)Nc2cccc([O-])c2Br)C1 ZINC000908713997 1036490642 /nfs/dbraw/zinc/49/06/42/1036490642.db2.gz YGMAURQWUGCZSH-UWVGGRQHSA-N -1 1 312.207 3.920 20 0 DHADMM CC(=O)c1ccc(NC(=S)Nc2cc(F)cc(F)c2[O-])cc1 ZINC001196563492 1036561482 /nfs/dbraw/zinc/56/14/82/1036561482.db2.gz MUOVYAFULYZSOC-UHFFFAOYSA-N -1 1 322.336 3.682 20 0 DHADMM C[C@H]1CN(Cc2cccc([O-])c2Cl)C[C@H](CC(F)(F)F)O1 ZINC000668769782 1036616321 /nfs/dbraw/zinc/61/63/21/1036616321.db2.gz ZGZHQGHIVVCRCF-ONGXEEELSA-N -1 1 323.742 3.587 20 0 DHADMM CC1(CC(=O)Nc2cccc(C(F)(F)F)c2[O-])CCOCC1 ZINC001183844426 1036683116 /nfs/dbraw/zinc/68/31/16/1036683116.db2.gz JNAFEVDXJNJHIQ-UHFFFAOYSA-N -1 1 317.307 3.556 20 0 DHADMM CCOCCC1(C(=O)Nc2cc([O-])c(F)cc2F)CCCC1 ZINC000909984779 1036728849 /nfs/dbraw/zinc/72/88/49/1036728849.db2.gz SXKNESHOVDDBDY-UHFFFAOYSA-N -1 1 313.344 3.596 20 0 DHADMM Cc1nc(C2CC2)ccc1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909987119 1036731907 /nfs/dbraw/zinc/73/19/07/1036731907.db2.gz IUEZXBSFYYQEHJ-UHFFFAOYSA-N -1 1 304.296 3.504 20 0 DHADMM O=C(C[C@@]12CCCC[C@@H]1C2(F)F)Nc1cc([O-])c(F)cc1F ZINC000909988261 1036742707 /nfs/dbraw/zinc/74/27/07/1036742707.db2.gz CIVFJCIQJIFROL-JSGCOSHPSA-N -1 1 317.282 3.825 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)C1(C(F)(F)F)CCCC1 ZINC000909987701 1036743055 /nfs/dbraw/zinc/74/30/55/1036743055.db2.gz CQQBVKKJNGFVIL-UHFFFAOYSA-N -1 1 309.234 3.732 20 0 DHADMM CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000175018990 1036978014 /nfs/dbraw/zinc/97/80/14/1036978014.db2.gz DJSATQPCELJOMG-CQSZACIVSA-N -1 1 323.751 3.981 20 0 DHADMM Brc1cccc(-c2cc([N-]c3cnoc3)on2)c1 ZINC001203230900 1036991720 /nfs/dbraw/zinc/99/17/20/1036991720.db2.gz AFZBRHINSGTDRP-UHFFFAOYSA-N -1 1 306.119 3.836 20 0 DHADMM FC(F)(F)c1nc(=NC[C@H]2CCCCC(F)(F)C2)s[n-]1 ZINC000488431223 1037017773 /nfs/dbraw/zinc/01/77/73/1037017773.db2.gz HIXJUVWEDVGUEI-ZETCQYMHSA-N -1 1 315.311 3.606 20 0 DHADMM Cc1nc(C(C)C)sc1C(=O)Nc1cc(F)cc(F)c1[O-] ZINC000910981041 1037019923 /nfs/dbraw/zinc/01/99/23/1037019923.db2.gz KBTBHTVAJDKEAK-UHFFFAOYSA-N -1 1 312.341 3.811 20 0 DHADMM CN(C(=O)c1cncc([O-])c1)C1c2ccccc2-c2ccccc21 ZINC000175864814 1037094764 /nfs/dbraw/zinc/09/47/64/1037094764.db2.gz YDMACMIJGLOQHQ-UHFFFAOYSA-N -1 1 316.360 3.629 20 0 DHADMM O=S(=O)([N-]c1ccc2occc2c1)c1ccc2occc2c1 ZINC001198868087 1037154649 /nfs/dbraw/zinc/15/46/49/1037154649.db2.gz FEQZFVDVQRXAPS-UHFFFAOYSA-N -1 1 313.334 3.980 20 0 DHADMM O=C(Cc1ccc([O-])c(Cl)c1)Nc1ncsc1C1CC1 ZINC000914120426 1037165079 /nfs/dbraw/zinc/16/50/79/1037165079.db2.gz GEKLNIRLJOXLGL-UHFFFAOYSA-N -1 1 308.790 3.561 20 0 DHADMM COc1ccc(S(=O)(=O)[N-]c2csc(Cl)c2)c(C)c1 ZINC001198907313 1037169189 /nfs/dbraw/zinc/16/91/89/1037169189.db2.gz MIYURWRCJRCKCV-UHFFFAOYSA-N -1 1 317.819 3.519 20 0 DHADMM CCC(CC)(CC)SCC(=O)[N-]C(=O)c1ccc(OC)cc1 ZINC000762970448 1037174315 /nfs/dbraw/zinc/17/43/15/1037174315.db2.gz UXPLYCMZUZPDFJ-UHFFFAOYSA-N -1 1 323.458 3.654 20 0 DHADMM O=C(Nc1ccc2c(c1)CCC2)Nc1cc([O-])c(F)cc1F ZINC001185762527 1037229844 /nfs/dbraw/zinc/22/98/44/1037229844.db2.gz FRMHZPBSDGSQDQ-UHFFFAOYSA-N -1 1 304.296 3.803 20 0 DHADMM CCc1noc(C)c1[N-]C(=O)c1nc(-c2ccccc2)cs1 ZINC000178843494 1037352015 /nfs/dbraw/zinc/35/20/15/1037352015.db2.gz LXWYBEHHFZUUEB-UHFFFAOYSA-N -1 1 313.382 3.921 20 0 DHADMM O=c1nc(NCC[C@@H]2C[C@H]2Cc2ccccc2)cc(Cl)[n-]1 ZINC000912406087 1037379750 /nfs/dbraw/zinc/37/97/50/1037379750.db2.gz ITECYPUCISVXAK-CHWSQXEVSA-N -1 1 303.793 3.516 20 0 DHADMM Cc1noc(C2CC2)c1[N-]C(=O)c1cc2c(ccnc2Cl)o1 ZINC000867343142 1037404207 /nfs/dbraw/zinc/40/42/07/1037404207.db2.gz LZGSFHZYENXXSE-UHFFFAOYSA-N -1 1 317.732 3.907 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])N[C@H]1CCCc2ccccc21 ZINC001186458140 1037423022 /nfs/dbraw/zinc/42/30/22/1037423022.db2.gz QYTSCCLNKRCIPQ-AWEZNQCLSA-N -1 1 300.333 3.730 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1F)N[C@@H]1CCCc2ccccc21 ZINC001186460954 1037425201 /nfs/dbraw/zinc/42/52/01/1037425201.db2.gz OENLBEMDTNQRIP-CQSZACIVSA-N -1 1 318.323 3.870 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1F)N[C@H]1CCCc2ccccc21 ZINC001186460952 1037425794 /nfs/dbraw/zinc/42/57/94/1037425794.db2.gz OENLBEMDTNQRIP-AWEZNQCLSA-N -1 1 318.323 3.870 20 0 DHADMM CCC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1F ZINC001186565462 1037443131 /nfs/dbraw/zinc/44/31/31/1037443131.db2.gz FDWMPZRRKRTXFQ-WCQYABFASA-N -1 1 317.401 3.602 20 0 DHADMM CCC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1F ZINC001186565461 1037443522 /nfs/dbraw/zinc/44/35/22/1037443522.db2.gz FDWMPZRRKRTXFQ-DGCLKSJQSA-N -1 1 317.401 3.602 20 0 DHADMM Cc1cc(NC(=S)Nc2cc(F)cc(F)c2[O-])ccc1F ZINC001201039802 1037518106 /nfs/dbraw/zinc/51/81/06/1037518106.db2.gz KTWHBRXQHCPJRO-UHFFFAOYSA-N -1 1 312.316 3.927 20 0 DHADMM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-]c1ccoc1 ZINC001187044683 1037554214 /nfs/dbraw/zinc/55/42/14/1037554214.db2.gz ZFWJCXABMMBUCO-UHFFFAOYSA-N -1 1 306.170 3.528 20 0 DHADMM C[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)c1sccc1Cl ZINC001187102258 1037576603 /nfs/dbraw/zinc/57/66/03/1037576603.db2.gz SZYDCVHLNCDBKA-VIFPVBQESA-N -1 1 309.884 3.895 20 0 DHADMM CCC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F ZINC001201279611 1037579291 /nfs/dbraw/zinc/57/92/91/1037579291.db2.gz LXZLBFXKSOHYGO-ZETCQYMHSA-N -1 1 314.209 3.599 20 0 DHADMM CC(C)CCCC[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001187207492 1037603998 /nfs/dbraw/zinc/60/39/98/1037603998.db2.gz AJSLRPLAURFUBV-UHFFFAOYSA-N -1 1 307.818 3.584 20 0 DHADMM O=C(Nc1ccc(F)c(Cl)c1)Nc1cc(Cl)ncc1[O-] ZINC001187672349 1037688780 /nfs/dbraw/zinc/68/87/80/1037688780.db2.gz UYKHPRVYFCSGDH-UHFFFAOYSA-N -1 1 316.119 3.877 20 0 DHADMM COc1ccc(Cl)cc1NC(=O)Nc1ccc(F)cc1[O-] ZINC001187925931 1037756066 /nfs/dbraw/zinc/75/60/66/1037756066.db2.gz UIJAAMRHCOYMTN-UHFFFAOYSA-N -1 1 310.712 3.837 20 0 DHADMM Cc1ccc(F)c([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c1 ZINC000185168211 1037785363 /nfs/dbraw/zinc/78/53/63/1037785363.db2.gz OIHXUOIVAYBYJI-UHFFFAOYSA-N -1 1 322.336 3.555 20 0 DHADMM C[C@H](OC(=O)c1cc(-c2ccco2)n[nH]1)c1ccc(F)cc1 ZINC000913298468 1037790094 /nfs/dbraw/zinc/79/00/94/1037790094.db2.gz MNGVMPYVYQBEFU-JTQLQIEISA-N -1 1 300.289 3.727 20 0 DHADMM Cc1cc(C)c(NC(=O)c2ccc([O-])c(C(F)(F)F)c2)cn1 ZINC001188562480 1037921081 /nfs/dbraw/zinc/92/10/81/1037921081.db2.gz FGGYISCMCPDIGV-UHFFFAOYSA-N -1 1 310.275 3.675 20 0 DHADMM CCOCc1cccc([N-]S(=O)(=O)c2ccccc2CC)c1 ZINC000187394927 1037964900 /nfs/dbraw/zinc/96/49/00/1037964900.db2.gz HYVJGDASAMADTG-UHFFFAOYSA-N -1 1 319.426 3.586 20 0 DHADMM Cc1cc(C)c(S(=O)(=O)[N-]c2cnc(Cl)cc2C)c(C)c1 ZINC000153029663 1038058579 /nfs/dbraw/zinc/05/85/79/1038058579.db2.gz XBPLQOYXCKHKLD-UHFFFAOYSA-N -1 1 324.833 3.769 20 0 DHADMM Cc1nc(SCc2cccc(OC(C)(C)C)n2)[n-]c(=O)c1C ZINC001189061478 1038062056 /nfs/dbraw/zinc/06/20/56/1038062056.db2.gz PIFLNBLDIYFJSL-UHFFFAOYSA-N -1 1 319.430 3.664 20 0 DHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)c(C)c(C)c2)c1 ZINC001189232875 1038091561 /nfs/dbraw/zinc/09/15/61/1038091561.db2.gz ULKBPBNSUSYULS-UHFFFAOYSA-N -1 1 317.410 3.615 20 0 DHADMM CCCc1cccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)c1 ZINC001189241717 1038096715 /nfs/dbraw/zinc/09/67/15/1038096715.db2.gz VWEYMZDBDOVEMI-UHFFFAOYSA-N -1 1 317.410 3.643 20 0 DHADMM Cc1ccccc1Oc1ccccc1[N-]S(=O)(=O)CCCF ZINC001189910788 1038231017 /nfs/dbraw/zinc/23/10/17/1038231017.db2.gz CSFMHYWUESRXSL-UHFFFAOYSA-N -1 1 323.389 3.889 20 0 DHADMM CC(C)=CCC[C@@H](C)[N-]S(=O)(=O)c1sccc1Cl ZINC001190466230 1038327747 /nfs/dbraw/zinc/32/77/47/1038327747.db2.gz WVLGGHCACDBTAR-SNVBAGLBSA-N -1 1 307.868 3.815 20 0 DHADMM COc1cc(C(=O)Nc2cccc(C(C)C)n2)cc(Cl)c1[O-] ZINC001191129911 1038441436 /nfs/dbraw/zinc/44/14/36/1038441436.db2.gz ZKSALICVQUUCJA-UHFFFAOYSA-N -1 1 320.776 3.825 20 0 DHADMM CCc1nccc(C)c1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC001191138314 1038456852 /nfs/dbraw/zinc/45/68/52/1038456852.db2.gz DRJNVPATJBWPTM-UHFFFAOYSA-N -1 1 320.776 3.572 20 0 DHADMM CCc1cc(=O)[nH]c(C[N@@H+]2CCCC[C@@H]2c2ccc(C)cc2)n1 ZINC001191195808 1038457767 /nfs/dbraw/zinc/45/77/67/1038457767.db2.gz ZSWBNNJWYQBLGY-QGZVFWFLSA-N -1 1 311.429 3.780 20 0 DHADMM Cc1ccc(N(C)C(=O)c2cc(Br)ccc2[O-])cc1 ZINC000157002465 1038478529 /nfs/dbraw/zinc/47/85/29/1038478529.db2.gz QSKIPRNAQZDTIR-UHFFFAOYSA-N -1 1 320.186 3.740 20 0 DHADMM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)F)o1)[C@@H]1CCC[C@@H](C)C1 ZINC001191393946 1038493991 /nfs/dbraw/zinc/49/39/91/1038493991.db2.gz BZSFIYPAQVEJCS-OUAUKWLOSA-N -1 1 321.389 3.710 20 0 DHADMM Cc1csc([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)c1 ZINC001191866443 1038562458 /nfs/dbraw/zinc/56/24/58/1038562458.db2.gz RWBZNEHLACVQFR-UHFFFAOYSA-N -1 1 319.810 3.791 20 0 DHADMM O=C(NCc1ccc(Cl)s1)c1c([O-])cccc1Cl ZINC000057307910 1038608698 /nfs/dbraw/zinc/60/86/98/1038608698.db2.gz AHSOVISHLVMHBN-UHFFFAOYSA-N -1 1 302.182 3.691 20 0 DHADMM Cn1cc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3[O-])c2n1 ZINC001192322642 1038628785 /nfs/dbraw/zinc/62/87/85/1038628785.db2.gz HYFMQOMIHBTJLX-UHFFFAOYSA-N -1 1 323.396 3.829 20 0 DHADMM CC(C)(C)c1ccc(C(=O)N2CCCc3cc(N)ccc32)c([O-])c1 ZINC001192335933 1038629354 /nfs/dbraw/zinc/62/93/54/1038629354.db2.gz PKLIJKQYCMNXFG-UHFFFAOYSA-N -1 1 324.424 3.865 20 0 DHADMM CC1(CNC(=O)c2c(F)ccc([O-])c2F)CCC(F)(F)CC1 ZINC001192556073 1038675683 /nfs/dbraw/zinc/67/56/83/1038675683.db2.gz LVSFSAPEVLEAMT-UHFFFAOYSA-N -1 1 319.298 3.616 20 0 DHADMM O=C(Nc1cccc2cc(O)ccc21)c1c(F)ccc([O-])c1F ZINC001192539495 1038679554 /nfs/dbraw/zinc/67/95/54/1038679554.db2.gz JQWLHXMOJBFQAV-UHFFFAOYSA-N -1 1 315.275 3.782 20 0 DHADMM O=C(Nc1cc(F)cc2cccnc21)c1c(F)ccc([O-])c1F ZINC001192539848 1038679664 /nfs/dbraw/zinc/67/96/64/1038679664.db2.gz KGLPTWOYYRDCIG-UHFFFAOYSA-N -1 1 318.254 3.610 20 0 DHADMM Cc1nc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])sc1C ZINC001192608948 1038683605 /nfs/dbraw/zinc/68/36/05/1038683605.db2.gz VZNZLQJVYFNCBX-UHFFFAOYSA-N -1 1 316.304 3.737 20 0 DHADMM COc1ccc([C@@H](C)N(C)C(=O)c2cc([O-])cc(F)c2F)cc1 ZINC001192663755 1038693085 /nfs/dbraw/zinc/69/30/85/1038693085.db2.gz HHKXDYAUQLOUQU-SNVBAGLBSA-N -1 1 321.323 3.512 20 0 DHADMM COc1cccc([C@H](C)NC(=O)Nc2ccc([O-])c(F)c2F)c1 ZINC001192881469 1038716050 /nfs/dbraw/zinc/71/60/50/1038716050.db2.gz KVOQWMNNBMYODY-VIFPVBQESA-N -1 1 322.311 3.562 20 0 DHADMM COc1cccc([C@H](C)NC(=O)Nc2cc(F)c([O-])c(F)c2)c1 ZINC001192882193 1038717336 /nfs/dbraw/zinc/71/73/36/1038717336.db2.gz BDKMWGNRSLKZRJ-VIFPVBQESA-N -1 1 322.311 3.562 20 0 DHADMM CCC[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccccn1 ZINC000591460159 1038874311 /nfs/dbraw/zinc/87/43/11/1038874311.db2.gz HFRVEMBSKBRIMI-AWEZNQCLSA-N -1 1 304.777 3.712 20 0 DHADMM C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1c([O-])cccc1F ZINC000605435863 1039681505 /nfs/dbraw/zinc/68/15/05/1039681505.db2.gz ISXKKRGEXDHRFE-VIFPVBQESA-N -1 1 309.724 3.591 20 0 DHADMM C[C@H]1CCc2sc(C(=O)Nc3c([O-])cccc3F)cc2C1 ZINC000605439270 1039682730 /nfs/dbraw/zinc/68/27/30/1039682730.db2.gz VSPXXABEDMGVJT-VIFPVBQESA-N -1 1 305.374 3.970 20 0 DHADMM O=C(Nc1c([O-])cccc1F)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000605440465 1039683887 /nfs/dbraw/zinc/68/38/87/1039683887.db2.gz SIKLSXGCCQZZME-GHMZBOCLSA-N -1 1 305.736 3.927 20 0 DHADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2)cc1 ZINC000226512242 1039694805 /nfs/dbraw/zinc/69/48/05/1039694805.db2.gz ONJFKKIVAFVQGC-UHFFFAOYSA-N -1 1 324.833 3.734 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)s1 ZINC000069572750 1039899560 /nfs/dbraw/zinc/89/95/60/1039899560.db2.gz PKUFHEPINCMOGS-UHFFFAOYSA-N -1 1 305.783 3.650 20 0 DHADMM CCc1nc(C[N@H+](C)Cc2c(O)ccc3ccncc32)cs1 ZINC000063128505 1040130114 /nfs/dbraw/zinc/13/01/14/1040130114.db2.gz BZCSDIXXSXXUDB-UHFFFAOYSA-N -1 1 313.426 3.591 20 0 DHADMM CS[C@@H]1CC[C@@H](NC(=O)c2cc3ccccc3cc2[O-])C1 ZINC000231678207 1040381102 /nfs/dbraw/zinc/38/11/02/1040381102.db2.gz RVIJKYQQOHIXDX-ZIAGYGMSSA-N -1 1 301.411 3.559 20 0 DHADMM CS[C@@H]1CC[C@H](NC(=O)c2ccc3ccccc3c2[O-])C1 ZINC000231678162 1040381344 /nfs/dbraw/zinc/38/13/44/1040381344.db2.gz KJTGDFZITUKMCA-QWHCGFSZSA-N -1 1 301.411 3.559 20 0 DHADMM CC(C)(C)c1ccc(OCC(=O)Nc2c([O-])cccc2F)cc1 ZINC000608365354 1040471599 /nfs/dbraw/zinc/47/15/99/1040471599.db2.gz HHGNCRLAMWYHSR-UHFFFAOYSA-N -1 1 317.360 3.846 20 0 DHADMM Cc1c2cc(F)ccc2oc1C(=O)Nc1c([O-])cccc1F ZINC000608365744 1040472602 /nfs/dbraw/zinc/47/26/02/1040472602.db2.gz BDHBAFWJXJPKRG-UHFFFAOYSA-N -1 1 303.264 3.977 20 0 DHADMM CCCOc1ccc(CCC(=O)Nc2c([O-])cccc2F)cc1 ZINC000608367349 1040474013 /nfs/dbraw/zinc/47/40/13/1040474013.db2.gz WUTHBDRXYLFUCG-UHFFFAOYSA-N -1 1 317.360 3.891 20 0 DHADMM O=C(COc1cccc2ccccc21)Nc1c([O-])cccc1F ZINC000608366828 1040475439 /nfs/dbraw/zinc/47/54/39/1040475439.db2.gz NVYDIHRGXHCXHX-UHFFFAOYSA-N -1 1 311.312 3.702 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000456292885 1040764778 /nfs/dbraw/zinc/76/47/78/1040764778.db2.gz XLLLYZWPOOEQBE-QZTJIDSGSA-N -1 1 307.393 3.806 20 0 DHADMM CC1(C)Cc2ccsc2CN1C(=O)c1ccc([O-])cc1F ZINC000457322315 1041084649 /nfs/dbraw/zinc/08/46/49/1041084649.db2.gz VQYXLGYMSMCAMY-UHFFFAOYSA-N -1 1 305.374 3.570 20 0 DHADMM O=C([O-])C[C@@H](NCc1sccc1Cl)c1ccsc1 ZINC000417540659 334961914 /nfs/dbraw/zinc/96/19/14/334961914.db2.gz XKEMKBGIQAIXJC-SNVBAGLBSA-N -1 1 301.820 3.769 20 0 DHADMM O=S(=O)([N-]c1ccc2[nH]ccc2c1)c1ccc(F)c(Cl)c1 ZINC000006416284 181339108 /nfs/dbraw/zinc/33/91/08/181339108.db2.gz CZNNCTKZHXGHHS-UHFFFAOYSA-N -1 1 324.764 3.761 20 0 DHADMM O=C([O-])C[C@H](NCc1ccco1)c1cccc(C(F)(F)F)c1 ZINC000417575351 334995098 /nfs/dbraw/zinc/99/50/98/334995098.db2.gz FPXMYVONFOBRHQ-ZDUSSCGKSA-N -1 1 313.275 3.604 20 0 DHADMM Cc1ccccc1NCCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000391591146 335017962 /nfs/dbraw/zinc/01/79/62/335017962.db2.gz MXVOYFCEJMULSK-UHFFFAOYSA-N -1 1 313.332 3.544 20 0 DHADMM O=C([O-])[C@@H]1C[C@@H](NCc2sccc2Cl)c2ccccc21 ZINC000417630468 335018760 /nfs/dbraw/zinc/01/87/60/335018760.db2.gz RBOHHKDDUXRBNN-DGCLKSJQSA-N -1 1 307.802 3.804 20 0 DHADMM CCc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000016130180 182034926 /nfs/dbraw/zinc/03/49/26/182034926.db2.gz IWTUPRMDLOKGGJ-UHFFFAOYSA-N -1 1 313.781 3.842 20 0 DHADMM Cc1ccc(-c2ccc(CN[C@@H](C(=O)[O-])[C@@H](C)C3CC3)o2)cc1 ZINC000417642432 335026146 /nfs/dbraw/zinc/02/61/46/335026146.db2.gz VMGQHAFXDJOPHQ-SCLBCKFNSA-N -1 1 313.397 3.844 20 0 DHADMM Cc1csc(-c2nc(=O)c3c4c(sc3[n-]2)C[C@@H](C)CC4)n1 ZINC000183639307 335039184 /nfs/dbraw/zinc/03/91/84/335039184.db2.gz WRPZYBATVYBRPD-ZETCQYMHSA-N -1 1 317.439 3.541 20 0 DHADMM O=C([O-])[C@H]1CC12CCN(Cc1cc(Cl)cc(Cl)c1)CC2 ZINC000405366286 335043557 /nfs/dbraw/zinc/04/35/57/335043557.db2.gz UWBYIXCHHOWQCQ-CYBMUJFWSA-N -1 1 314.212 3.680 20 0 DHADMM CCOc1cc(C(=O)N2[C@H](C)CC[C@H]2CC)cc(Cl)c1[O-] ZINC000273822276 130171469 /nfs/dbraw/zinc/17/14/69/130171469.db2.gz FWZSZXHYBZKXJY-ZYHUDNBSSA-N -1 1 311.809 3.847 20 0 DHADMM Cc1cc(C)cc(C[C@@H](C)NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000280975834 130829742 /nfs/dbraw/zinc/82/97/42/130829742.db2.gz OWOZJTGGXIPDIF-GFCCVEGCSA-N -1 1 319.351 3.648 20 0 DHADMM Cc1noc(C)c1[N-]C(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000340252636 131275948 /nfs/dbraw/zinc/27/59/48/131275948.db2.gz BAGLRZVCCBMSAG-UHFFFAOYSA-N -1 1 323.761 3.914 20 0 DHADMM COCc1ccccc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC000295341847 131897658 /nfs/dbraw/zinc/89/76/58/131897658.db2.gz PZIXGTYPZHSZAG-UHFFFAOYSA-N -1 1 317.410 3.511 20 0 DHADMM CC(C)C[C@@H](C)CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000340752819 132178369 /nfs/dbraw/zinc/17/83/69/132178369.db2.gz JXBYBDOGFWIJSR-GFCCVEGCSA-N -1 1 301.390 3.793 20 0 DHADMM C[C@H](C1CC1)n1cc([N-]c2nnc(-c3ccccn3)s2)cn1 ZINC000516806005 429382845 /nfs/dbraw/zinc/38/28/45/429382845.db2.gz IPOPDUORMUSEPZ-SNVBAGLBSA-N -1 1 312.402 3.511 20 0 DHADMM Cc1csc([C@@H](NC(=O)c2ccc(Cl)cc2[O-])C2CC2)n1 ZINC000173409971 332829886 /nfs/dbraw/zinc/82/98/86/332829886.db2.gz LBKFHYQNUHDYGJ-ZDUSSCGKSA-N -1 1 322.817 3.692 20 0 DHADMM COc1cc(C(=O)NC2CCC3(CC3)CC2)cc(Cl)c1[O-] ZINC000584091193 331709331 /nfs/dbraw/zinc/70/93/31/331709331.db2.gz RMJUUCYUTMYWLE-UHFFFAOYSA-N -1 1 309.793 3.507 20 0 DHADMM CCOc1cc(C(=O)NCc2cccc(C)c2)cc(Cl)c1[O-] ZINC000186450911 332928071 /nfs/dbraw/zinc/92/80/71/332928071.db2.gz FXJDXJMNXKOJIG-UHFFFAOYSA-N -1 1 319.788 3.683 20 0 DHADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@H]2CCC[C@@H]21 ZINC000087777676 331795856 /nfs/dbraw/zinc/79/58/56/331795856.db2.gz WTZYQWDRGSTSRE-MFKMUULPSA-N -1 1 324.218 3.559 20 0 DHADMM C/C=C\c1ccc([N-]S(=O)(=O)c2ccc(COC)cc2)cc1 ZINC000584193813 331862200 /nfs/dbraw/zinc/86/22/00/331862200.db2.gz GTTPOKWLQRXCNQ-ARJAWSKDSA-N -1 1 317.410 3.667 20 0 DHADMM CSCc1cccc(NC(=O)c2cn[nH]c2-c2ccncc2)c1 ZINC000518336740 332015455 /nfs/dbraw/zinc/01/54/55/332015455.db2.gz LBGQPOQSKFYGMI-UHFFFAOYSA-N -1 1 324.409 3.587 20 0 DHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2cc3ccc(F)cc3[nH]2)o1 ZINC000426775401 332031227 /nfs/dbraw/zinc/03/12/27/332031227.db2.gz SLQMLWUAOYBNTJ-HNNXBMFYSA-N -1 1 316.332 3.514 20 0 DHADMM Cc1cc(CN[C@H](C(=O)[O-])c2ccccc2F)ccc1Cl ZINC000426807296 332155666 /nfs/dbraw/zinc/15/56/66/332155666.db2.gz MTDCVIJPHVJQBE-HNNXBMFYSA-N -1 1 307.752 3.703 20 0 DHADMM O=C([O-])[C@@H](NCc1cccc(Cl)c1Cl)c1ccsc1 ZINC000426837030 332156540 /nfs/dbraw/zinc/15/65/40/332156540.db2.gz WBPOXIKWSSHBDX-LBPRGKRZSA-N -1 1 316.209 3.970 20 0 DHADMM CCc1ccc([C@@H](NCc2cccc(Cl)c2F)C(=O)[O-])cc1 ZINC000426813745 332157115 /nfs/dbraw/zinc/15/71/15/332157115.db2.gz ZEAKINSJQLMXRF-MRXNPFEDSA-N -1 1 321.779 3.957 20 0 DHADMM CCC[C@@H](C)C[C@@H](NCc1cnc(C(C)(C)C)s1)C(=O)[O-] ZINC000426825695 332158197 /nfs/dbraw/zinc/15/81/97/332158197.db2.gz REBSPLNPYTUGQB-DGCLKSJQSA-N -1 1 312.479 3.810 20 0 DHADMM Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2ncc(C)cc2[O-])o1 ZINC000408225455 332336380 /nfs/dbraw/zinc/33/63/80/332336380.db2.gz UKCXLEKPTQNQGF-RISCZKNCSA-N -1 1 314.385 3.610 20 0 DHADMM CCC[C@@H](CC)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000561522399 332459745 /nfs/dbraw/zinc/45/97/45/332459745.db2.gz FOKXIJWPCDUZQB-SSDOTTSWSA-N -1 1 316.275 3.912 20 0 DHADMM O=C(c1ncccc1[O-])N1CCC[C@@H]1CCC1CCCCC1 ZINC000427750627 332506092 /nfs/dbraw/zinc/50/60/92/332506092.db2.gz ZSKSPFZSMWOWDB-OAHLLOKOSA-N -1 1 302.418 3.752 20 0 DHADMM Cc1ccc(CS(=O)(=O)[N-]c2cc(C3CC3)ccn2)cc1C ZINC000562808328 332628270 /nfs/dbraw/zinc/62/82/70/332628270.db2.gz CIYFNFWPPKHJPV-UHFFFAOYSA-N -1 1 316.426 3.518 20 0 DHADMM CCCc1cc(=O)[n-]c(SCC(=O)c2ccc(C)c(C)c2)n1 ZINC000016583926 333002903 /nfs/dbraw/zinc/00/29/03/333002903.db2.gz PEFPDLMTKLMVKM-UHFFFAOYSA-N -1 1 316.426 3.727 20 0 DHADMM Cn1cccc1[C@@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000180351835 333027867 /nfs/dbraw/zinc/02/78/67/333027867.db2.gz KEQGSZQLTWGUAV-SFHVURJKSA-N -1 1 320.392 3.861 20 0 DHADMM O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1ccc([O-])cc1F ZINC000181227999 333029705 /nfs/dbraw/zinc/02/97/05/333029705.db2.gz WNNXPLCYHASISK-RDTXWAMCSA-N -1 1 313.372 3.673 20 0 DHADMM [O-]c1ccc(-c2nc(Cc3c(F)cccc3Cl)no2)c(F)c1 ZINC000318692122 333202879 /nfs/dbraw/zinc/20/28/79/333202879.db2.gz HGXCYYTWBQTAOI-UHFFFAOYSA-N -1 1 322.698 3.965 20 0 DHADMM COc1cc(-c2nc(-c3ccc(C)o3)no2)cc(Cl)c1[O-] ZINC000582101573 333222990 /nfs/dbraw/zinc/22/29/90/333222990.db2.gz QSWOIXMQYSRDHC-UHFFFAOYSA-N -1 1 306.705 3.673 20 0 DHADMM Cc1ccc(-c2n[nH]c(NC(=O)[C@H](c3ccccc3)C(C)C)n2)o1 ZINC000497742544 333286059 /nfs/dbraw/zinc/28/60/59/333286059.db2.gz MLRPDHMWUOZEDZ-HNNXBMFYSA-N -1 1 324.384 3.751 20 0 DHADMM CC(C)COc1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000319411564 333298868 /nfs/dbraw/zinc/29/88/68/333298868.db2.gz HDEVDPHBNWMPGM-UHFFFAOYSA-N -1 1 323.389 3.661 20 0 DHADMM O=c1cc(C(F)F)nc(SC[C@H]2CCC3(CCCC3)O2)[n-]1 ZINC000570976084 333472908 /nfs/dbraw/zinc/47/29/08/333472908.db2.gz NFXYSBMWEQDDAT-SECBINFHSA-N -1 1 316.373 3.704 20 0 DHADMM CCc1nc(CNCc2c(C)oc3ccccc32)ccc1C(=O)[O-] ZINC000426637771 333511951 /nfs/dbraw/zinc/51/19/51/333511951.db2.gz NDHZGBKSRBWUQO-UHFFFAOYSA-N -1 1 324.380 3.687 20 0 DHADMM O=C1CC[C@H](c2nc(-c3ccc([O-])c(F)c3)no2)c2ccccc21 ZINC000436872816 334013283 /nfs/dbraw/zinc/01/32/83/334013283.db2.gz LDCGBUNHEJBOEV-ZDUSSCGKSA-N -1 1 324.311 3.690 20 0 DHADMM COc1ccc(-c2nc([C@H](C)c3cccs3)no2)c([O-])c1 ZINC000436942465 334019655 /nfs/dbraw/zinc/01/96/55/334019655.db2.gz VVDVAVBHZWTNMA-SECBINFHSA-N -1 1 302.355 3.664 20 0 DHADMM CC[C@@H](C)N(CC(=O)[O-])Cc1ccc(-c2cccc(F)c2F)o1 ZINC000414684033 334068424 /nfs/dbraw/zinc/06/84/24/334068424.db2.gz PYCOPVSQMMLOIH-LLVKDONJSA-N -1 1 323.339 3.910 20 0 DHADMM CC[C@H]1CCCCCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000442976981 338440841 /nfs/dbraw/zinc/44/08/41/338440841.db2.gz NKNVGEOFCMABCQ-LBPRGKRZSA-N -1 1 311.809 3.849 20 0 DHADMM Cn1c2ccccc2nc1-c1ccc([O-])c(Br)c1 ZINC000048878386 334300843 /nfs/dbraw/zinc/30/08/43/334300843.db2.gz AKLHDMCNTWLGME-UHFFFAOYSA-N -1 1 303.159 3.708 20 0 DHADMM COc1cc(C(=O)N2CC[C@@H](C)C[C@@H](C)C2)cc(Cl)c1[O-] ZINC000443061804 338442663 /nfs/dbraw/zinc/44/26/63/338442663.db2.gz KEWFGYAUUUFTIK-GHMZBOCLSA-N -1 1 311.809 3.562 20 0 DHADMM CC[C@H](C)Oc1ccc(-c2nc(=O)c3sccc3[n-]2)cc1 ZINC000112118839 334361828 /nfs/dbraw/zinc/36/18/28/334361828.db2.gz ZYTWGFFGRUOTBC-JTQLQIEISA-N -1 1 300.383 3.829 20 0 DHADMM O=C(Nc1cccc(Cl)c1O)c1cc(F)c([O-])c(Cl)c1 ZINC000189375522 334893387 /nfs/dbraw/zinc/89/33/87/334893387.db2.gz DOYBAQOUEAOVPZ-UHFFFAOYSA-N -1 1 316.115 3.796 20 0 DHADMM Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)c1ncccc1[O-] ZINC000444611018 338476673 /nfs/dbraw/zinc/47/66/73/338476673.db2.gz QOOQEYMGICZMDW-GFCCVEGCSA-N -1 1 324.302 3.519 20 0 DHADMM O=C(Nc1ccccc1CCC(F)(F)F)c1cncc([O-])c1 ZINC000346376036 335402354 /nfs/dbraw/zinc/40/23/54/335402354.db2.gz PYPBPRLGPPUIQN-UHFFFAOYSA-N -1 1 310.275 3.534 20 0 DHADMM CCOc1cccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445482482 338496498 /nfs/dbraw/zinc/49/64/98/338496498.db2.gz QBWQRECQNDQKEU-UHFFFAOYSA-N -1 1 300.289 3.647 20 0 DHADMM CCc1cccc(-c2nc(-c3ccc([O-])cc3F)no2)c1O ZINC000520716771 336036598 /nfs/dbraw/zinc/03/65/98/336036598.db2.gz OAYCIMDCIGMTBG-UHFFFAOYSA-N -1 1 300.289 3.516 20 0 DHADMM CC(C)c1ccc(C[C@H]2CCN(C(=O)c3ncccc3[O-])C2)cc1 ZINC000331592442 336141277 /nfs/dbraw/zinc/14/12/77/336141277.db2.gz YIUAHVBLNFNVHC-MRXNPFEDSA-N -1 1 324.424 3.615 20 0 DHADMM CN(C(=O)c1ccc(Cl)cc1[O-])[C@H]1CCc2ccccc21 ZINC000192626783 336200196 /nfs/dbraw/zinc/20/01/96/336200196.db2.gz ARWCTWKENSFKBK-HNNXBMFYSA-N -1 1 301.773 3.805 20 0 DHADMM Cc1cnc(C(=O)N2CC3(CCCCC3)[C@@H]2C(C)C)c([O-])c1 ZINC000333763201 336209714 /nfs/dbraw/zinc/20/97/14/336209714.db2.gz PRQMKBONZFLTPY-INIZCTEOSA-N -1 1 302.418 3.527 20 0 DHADMM CC[C@H](Cc1ccccc1)C(=O)Nc1nc(-c2ccc(C)o2)n[nH]1 ZINC000532445973 336247794 /nfs/dbraw/zinc/24/77/94/336247794.db2.gz VYQGNFCGDMTGGY-CQSZACIVSA-N -1 1 324.384 3.581 20 0 DHADMM O=C(Cn1ccc2ccc(Cl)cc21)Nc1ccc(F)cc1[O-] ZINC000532622302 336257242 /nfs/dbraw/zinc/25/72/42/336257242.db2.gz XOHMLHGELUECBP-UHFFFAOYSA-N -1 1 318.735 3.778 20 0 DHADMM COc1cccc(-c2noc([N-][C@@H](C)c3nc(C)cs3)n2)c1 ZINC000301417278 336305297 /nfs/dbraw/zinc/30/52/97/336305297.db2.gz RFNFEIFNUAQOHO-JTQLQIEISA-N -1 1 316.386 3.683 20 0 DHADMM CC(C)c1cccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)n1 ZINC000355557429 336514126 /nfs/dbraw/zinc/51/41/26/336514126.db2.gz RZQVDUVAAFTIEL-UHFFFAOYSA-N -1 1 322.368 3.553 20 0 DHADMM C[C@@H]1CCC[C@H](CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)C1 ZINC000355990937 336531226 /nfs/dbraw/zinc/53/12/26/336531226.db2.gz PCGBYSWREHQFRY-OLZOCXBDSA-N -1 1 313.401 3.937 20 0 DHADMM C[C@H]1CC(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)C[C@H](C)C1 ZINC000356332964 336546558 /nfs/dbraw/zinc/54/65/58/336546558.db2.gz FRNHJGBXKDTNJI-VXGBXAGGSA-N -1 1 313.401 3.793 20 0 DHADMM Cc1cc([C@@H]2CCCN2C(=O)c2cc3ccccc3cc2[O-])no1 ZINC000361224317 336745131 /nfs/dbraw/zinc/74/51/31/336745131.db2.gz RXPCWCSWXPILJI-KRWDZBQOSA-N -1 1 322.364 3.819 20 0 DHADMM Cc1ccccc1[C@H]1C[C@H](NC(=O)c2c(F)ccc([O-])c2F)C1 ZINC000367667174 336827620 /nfs/dbraw/zinc/82/76/20/336827620.db2.gz AUBGTYSHWKZGDC-HAQNSBGRSA-N -1 1 317.335 3.655 20 0 DHADMM CCc1noc(C)c1[N-]C(=O)c1ncoc1-c1ccc(C)cc1 ZINC000120875768 336923704 /nfs/dbraw/zinc/92/37/04/336923704.db2.gz UQBPRQGZJWCGFC-UHFFFAOYSA-N -1 1 311.341 3.761 20 0 DHADMM CCCCOc1ccccc1NC(=O)c1ccc(O)cc1[O-] ZINC000193780748 337080132 /nfs/dbraw/zinc/08/01/32/337080132.db2.gz QKEFQZKRGXKDBB-UHFFFAOYSA-N -1 1 301.342 3.529 20 0 DHADMM O=C(Nc1ccc(CNc2ccccc2)cc1)c1cncc([O-])c1 ZINC000176286238 337150635 /nfs/dbraw/zinc/15/06/35/337150635.db2.gz NZVXMRPAODTEJA-UHFFFAOYSA-N -1 1 319.364 3.652 20 0 DHADMM O=c1cc(C(F)(F)F)nc(CNc2cccc(C(F)F)c2)[n-]1 ZINC000179763383 337171731 /nfs/dbraw/zinc/17/17/31/337171731.db2.gz KOJOTYQBYWPAOC-UHFFFAOYSA-N -1 1 319.233 3.751 20 0 DHADMM CSc1ccc(C(=O)[N-]c2nc(-c3cccs3)ns2)o1 ZINC000182128021 337186733 /nfs/dbraw/zinc/18/67/33/337186733.db2.gz VOOTWUOSKXLNKP-UHFFFAOYSA-N -1 1 323.424 3.834 20 0 DHADMM COc1ccsc1C(=O)[N-]c1c(C)noc1-c1ccccc1 ZINC000183370920 337191496 /nfs/dbraw/zinc/19/14/96/337191496.db2.gz QHSXXXOCEKYVMX-UHFFFAOYSA-N -1 1 314.366 3.972 20 0 DHADMM CCOc1cc(C(=O)N2CCC[C@H](C)CC2)cc(Cl)c1[O-] ZINC000186716394 337258976 /nfs/dbraw/zinc/25/89/76/337258976.db2.gz XOODZVPPPVWYPM-NSHDSACASA-N -1 1 311.809 3.707 20 0 DHADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1c(Cl)cccc1Cl ZINC000397479924 337264991 /nfs/dbraw/zinc/26/49/91/337264991.db2.gz DEGXXEGZQMRBAZ-VHSXEESVSA-N -1 1 302.201 3.679 20 0 DHADMM C[C@@H](c1ccncc1)N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000121992071 337905062 /nfs/dbraw/zinc/90/50/62/337905062.db2.gz WWEWCFXZBFCOCJ-ZDUSSCGKSA-N -1 1 306.365 3.774 20 0 DHADMM COc1ccc(C(=O)Nc2ccc(OC(C)C)cc2C)c([O-])c1 ZINC000537640614 337954759 /nfs/dbraw/zinc/95/47/59/337954759.db2.gz VCIBSUFMVISVOY-UHFFFAOYSA-N -1 1 315.369 3.749 20 0 DHADMM COc1ccccc1Cc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445450484 338002596 /nfs/dbraw/zinc/00/25/96/338002596.db2.gz UAXZQZNTXXVFFI-UHFFFAOYSA-N -1 1 316.744 3.695 20 0 DHADMM [O-]c1ccc(-c2noc(/C=C/c3cccc(F)c3)n2)c(F)c1 ZINC000445453321 338016902 /nfs/dbraw/zinc/01/69/02/338016902.db2.gz HUABKXWEDHSNDT-QPJJXVBHSA-N -1 1 300.264 3.891 20 0 DHADMM C[C@@H](Oc1cccc(F)c1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445454765 338017213 /nfs/dbraw/zinc/01/72/13/338017213.db2.gz ARMXYPDAOMGLFH-SECBINFHSA-N -1 1 318.279 3.860 20 0 DHADMM C[C@@H](Oc1ccccc1F)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445458444 338018023 /nfs/dbraw/zinc/01/80/23/338018023.db2.gz XJNOMMFKWUXEBX-SECBINFHSA-N -1 1 318.279 3.860 20 0 DHADMM Cc1ncc(/C=C\c2nc(-c3ccc([O-])cc3F)no2)s1 ZINC000445458801 338018155 /nfs/dbraw/zinc/01/81/55/338018155.db2.gz ZRIIFTPQAFDDJZ-HYXAFXHYSA-N -1 1 303.318 3.517 20 0 DHADMM Cc1ccccc1C1(c2nc(-c3ccc([O-])cc3F)no2)CC1 ZINC000445458804 338018167 /nfs/dbraw/zinc/01/81/67/338018167.db2.gz ZSBKQGYWESGKCO-UHFFFAOYSA-N -1 1 310.328 3.970 20 0 DHADMM C[C@@H](Sc1ccccn1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445457507 338018315 /nfs/dbraw/zinc/01/83/15/338018315.db2.gz NMGKRTFGSNXQFH-SECBINFHSA-N -1 1 317.345 3.830 20 0 DHADMM [O-]c1ccc(-c2noc(/C=C\c3ccc4c(c3)CCO4)n2)c(F)c1 ZINC000445463817 338032061 /nfs/dbraw/zinc/03/20/61/338032061.db2.gz RDVVAYGMZNMXGL-KXFIGUGUSA-N -1 1 324.311 3.687 20 0 DHADMM CCc1nc(CNCc2ccc3ccccc3c2)ccc1C(=O)[O-] ZINC000426652600 338037157 /nfs/dbraw/zinc/03/71/57/338037157.db2.gz VPPSRAKUUKUHIF-UHFFFAOYSA-N -1 1 320.392 3.785 20 0 DHADMM O=C([O-])C[C@H](NCc1cc2cc(F)ccc2o1)c1ccsc1 ZINC000426690680 338038173 /nfs/dbraw/zinc/03/81/73/338038173.db2.gz CEDYKKUMQPYHBL-AWEZNQCLSA-N -1 1 319.357 3.939 20 0 DHADMM Cc1ccc([C@@H](NCc2cccc(Cl)c2F)C(=O)[O-])cc1 ZINC000426716033 338038986 /nfs/dbraw/zinc/03/89/86/338038986.db2.gz UMJCHGFLLVCGCW-OAHLLOKOSA-N -1 1 307.752 3.703 20 0 DHADMM COc1ccc2oc(CN[C@H](CCC(C)(C)C)C(=O)[O-])cc2c1 ZINC000426755485 338040869 /nfs/dbraw/zinc/04/08/69/338040869.db2.gz ZSGRARFQGHSNPS-OAHLLOKOSA-N -1 1 319.401 3.811 20 0 DHADMM COc1cc(C)ccc1-c1noc(-c2cc(-c3ccco3)n[nH]2)n1 ZINC000432550237 338158703 /nfs/dbraw/zinc/15/87/03/338158703.db2.gz RXALVOISOWJBEW-UHFFFAOYSA-N -1 1 322.324 3.704 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2ccc(N3CCC3=O)cc2)c([O-])c1 ZINC000436482630 338273696 /nfs/dbraw/zinc/27/36/96/338273696.db2.gz APVQAVBVTLZWJP-UHFFFAOYSA-N -1 1 324.380 3.505 20 0 DHADMM CC(C)[C@H](NC(=O)c1ccc([O-])cc1F)c1ccc(F)cc1 ZINC000436512133 338274616 /nfs/dbraw/zinc/27/46/16/338274616.db2.gz LZTUZSAQFHDMDD-INIZCTEOSA-N -1 1 305.324 3.798 20 0 DHADMM Cc1cc(F)cc2c1CN(C(=O)c1cc(Cl)ccc1[O-])CC2 ZINC000436512382 338274657 /nfs/dbraw/zinc/27/46/57/338274657.db2.gz JSICCTWFUTYGTH-UHFFFAOYSA-N -1 1 319.763 3.692 20 0 DHADMM Cc1cc(F)cc2c1CN(C(=O)c1ccc(Cl)cc1[O-])CC2 ZINC000436511222 338274711 /nfs/dbraw/zinc/27/47/11/338274711.db2.gz IBLKUWJRDBMXRW-UHFFFAOYSA-N -1 1 319.763 3.692 20 0 DHADMM CC(C)(C)c1ccc(NC(=O)c2ccc([O-])cc2F)c(O)c1 ZINC000436515510 338274731 /nfs/dbraw/zinc/27/47/31/338274731.db2.gz RKUUVTYCGIEJMJ-UHFFFAOYSA-N -1 1 303.333 3.787 20 0 DHADMM CC(C)Cn1nccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436520913 338274962 /nfs/dbraw/zinc/27/49/62/338274962.db2.gz BACVKCWHJTZJCW-UHFFFAOYSA-N -1 1 309.369 3.650 20 0 DHADMM CC(C)c1ccc(C(=O)N2CCc3cc(F)c(F)cc32)c([O-])c1 ZINC000436522643 338275072 /nfs/dbraw/zinc/27/50/72/338275072.db2.gz WCBOPBNSYLOTSS-UHFFFAOYSA-N -1 1 317.335 3.997 20 0 DHADMM Cc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1OC(F)F ZINC000436551254 338276773 /nfs/dbraw/zinc/27/67/73/338276773.db2.gz XWIZFCGGGABMJU-UHFFFAOYSA-N -1 1 311.259 3.693 20 0 DHADMM CC(C)OCc1cccc(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000436553596 338276920 /nfs/dbraw/zinc/27/69/20/338276920.db2.gz HTDJLIAWUXOGIL-UHFFFAOYSA-N -1 1 303.333 3.709 20 0 DHADMM CCCOc1ccc(NC(=O)c2cc(F)ccc2[O-])c(C)c1 ZINC000436556589 338276978 /nfs/dbraw/zinc/27/69/78/338276978.db2.gz OHMDVTCZWUKNTF-UHFFFAOYSA-N -1 1 303.333 3.881 20 0 DHADMM Cc1ccc(CC[C@H](C)NC(=O)c2ccc(Cl)cc2[O-])o1 ZINC000436564341 338277278 /nfs/dbraw/zinc/27/72/78/338277278.db2.gz GTXVVDKKTIQRAC-JTQLQIEISA-N -1 1 307.777 3.698 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000436570198 338277618 /nfs/dbraw/zinc/27/76/18/338277618.db2.gz NQNJBRVYHQAREB-HNNXBMFYSA-N -1 1 305.736 3.772 20 0 DHADMM C[C@@H]1CCN(C(=O)c2cc(F)ccc2[O-])[C@@H]1c1cccc(F)c1 ZINC000436574946 338277757 /nfs/dbraw/zinc/27/77/57/338277757.db2.gz NHTUBQIPKYICNP-DIFFPNOSSA-N -1 1 317.335 3.894 20 0 DHADMM CCOc1cc(Cl)ccc1NC(=O)c1ccc(OC)cc1[O-] ZINC000436587660 338278636 /nfs/dbraw/zinc/27/86/36/338278636.db2.gz PYRAZWOBDMNGOB-UHFFFAOYSA-N -1 1 321.760 3.705 20 0 DHADMM CCCOc1cc(F)ccc1NC(=O)c1ccc(OC)cc1[O-] ZINC000436591440 338278901 /nfs/dbraw/zinc/27/89/01/338278901.db2.gz WTDAFLOSFNEJIL-UHFFFAOYSA-N -1 1 319.332 3.581 20 0 DHADMM O=C(NC1CCC2(CCCCC2)CC1)C(=O)c1ccc([O-])cc1 ZINC000436593312 338279186 /nfs/dbraw/zinc/27/91/86/338279186.db2.gz DERGQZZZTUTIQR-UHFFFAOYSA-N -1 1 315.413 3.584 20 0 DHADMM O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1ccc2ccccc2c1[O-] ZINC000436597143 338279363 /nfs/dbraw/zinc/27/93/63/338279363.db2.gz PCVOSYOWEFGYED-CEXWTWQISA-N -1 1 315.372 3.614 20 0 DHADMM Cc1ccccc1[C@H]1CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000436622227 338280299 /nfs/dbraw/zinc/28/02/99/338280299.db2.gz CVUIWUUVRDVJQK-ZDUSSCGKSA-N -1 1 315.800 3.984 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000436626005 338280558 /nfs/dbraw/zinc/28/05/58/338280558.db2.gz HADVIRBUAOGCPR-XVJNWHFHSA-N -1 1 311.356 3.849 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CC(c2ccccc2F)C1 ZINC000436654535 338281642 /nfs/dbraw/zinc/28/16/42/338281642.db2.gz FVYHCZLBJOUGLS-UHFFFAOYSA-N -1 1 321.351 3.924 20 0 DHADMM C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)c1ccc([O-])cc1F ZINC000436656309 338281937 /nfs/dbraw/zinc/28/19/37/338281937.db2.gz MPNCSFHBHHIVFO-KZULUSFZSA-N -1 1 313.372 3.975 20 0 DHADMM C[C@H]1CCN(C(=O)c2cc(F)ccc2[O-])CC12CCCCC2 ZINC000436660340 338282047 /nfs/dbraw/zinc/28/20/47/338282047.db2.gz CASVSFNQRHOJLG-ZDUSSCGKSA-N -1 1 305.393 3.964 20 0 DHADMM Cc1[nH]nc(C(F)F)c1NC(=O)c1cc2ccccc2cc1[O-] ZINC000436666208 338282252 /nfs/dbraw/zinc/28/22/52/338282252.db2.gz QBVHTEZDPGHCQP-UHFFFAOYSA-N -1 1 317.295 3.767 20 0 DHADMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccc2ncsc2c1 ZINC000436679749 338282477 /nfs/dbraw/zinc/28/24/77/338282477.db2.gz HHCCNGDYPNFBOR-VIFPVBQESA-N -1 1 316.357 3.632 20 0 DHADMM CC[C@H](C)Oc1ccc(NC(=O)c2ccc(OC)cc2[O-])cc1 ZINC000436683708 338282738 /nfs/dbraw/zinc/28/27/38/338282738.db2.gz ZZODJWQSYPQVOT-LBPRGKRZSA-N -1 1 315.369 3.830 20 0 DHADMM [O-]c1ccc(-c2nc(-c3ccccc3OC(F)F)no2)c(F)c1 ZINC000436686925 338282840 /nfs/dbraw/zinc/28/28/40/338282840.db2.gz FVTLNLJBRCIOJY-UHFFFAOYSA-N -1 1 322.242 3.850 20 0 DHADMM C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1cncc(F)c1 ZINC000436713871 338283750 /nfs/dbraw/zinc/28/37/50/338283750.db2.gz KLIOZKFMOHZKTR-LLVKDONJSA-N -1 1 310.328 3.571 20 0 DHADMM C[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])[C@@H]1c1ccccc1 ZINC000436717095 338283875 /nfs/dbraw/zinc/28/38/75/338283875.db2.gz DPGONMQVPFYVFO-ZBEGNZNMSA-N -1 1 301.773 3.879 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H]1Cc1ccccc1 ZINC000436723764 338284252 /nfs/dbraw/zinc/28/42/52/338284252.db2.gz VZQFRHBFBKFONF-OAHLLOKOSA-N -1 1 315.800 3.893 20 0 DHADMM CCC(CC)n1ccc(C(=O)Nc2ccc(Cl)cc2[O-])n1 ZINC000436735563 338284707 /nfs/dbraw/zinc/28/47/07/338284707.db2.gz DDKRQLHCIFCJRS-UHFFFAOYSA-N -1 1 307.781 3.856 20 0 DHADMM Cc1ccc(NC(=O)c2ccccc2[O-])cc1OCC(F)F ZINC000436739843 338284909 /nfs/dbraw/zinc/28/49/09/338284909.db2.gz QPWAANPCBSCLDQ-UHFFFAOYSA-N -1 1 307.296 3.597 20 0 DHADMM CC1(C)CN(C(=O)c2cc(F)ccc2[O-])[C@@H]1c1cccs1 ZINC000436745563 338285292 /nfs/dbraw/zinc/28/52/92/338285292.db2.gz CSXMBTGSPCNUBI-CQSZACIVSA-N -1 1 305.374 3.816 20 0 DHADMM C[C@@H]1CCCCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436749642 338285401 /nfs/dbraw/zinc/28/54/01/338285401.db2.gz BLSVFCJJWASVTF-SNVBAGLBSA-N -1 1 301.308 3.816 20 0 DHADMM CN(CCc1ccccc1)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436761912 338286180 /nfs/dbraw/zinc/28/61/80/338286180.db2.gz BBMMVSVMRYASMW-UHFFFAOYSA-N -1 1 323.314 3.726 20 0 DHADMM C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1cc(F)ccc1[O-] ZINC000436783558 338287159 /nfs/dbraw/zinc/28/71/59/338287159.db2.gz MQUIDYBACVTEMY-HIFRSBDPSA-N -1 1 313.372 3.940 20 0 DHADMM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1cc(Cl)ccc1[O-] ZINC000436798793 338287771 /nfs/dbraw/zinc/28/77/71/338287771.db2.gz VNSRTQMTDGSQIN-NOZJJQNGSA-N -1 1 323.726 3.610 20 0 DHADMM CCc1ccc(C(=O)N(C)c2ccc(SC)cc2)c([O-])c1 ZINC000436820092 338288625 /nfs/dbraw/zinc/28/86/25/338288625.db2.gz KMTXPDWFNAUYEZ-UHFFFAOYSA-N -1 1 301.411 3.953 20 0 DHADMM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc([O-])cc3F)C2)cc1 ZINC000436827444 338288872 /nfs/dbraw/zinc/28/88/72/338288872.db2.gz NUXYYXVMPKGXNC-DZGCQCFKSA-N -1 1 313.372 3.858 20 0 DHADMM O=C(NC[C@@H]1CCc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000436828903 338288948 /nfs/dbraw/zinc/28/89/48/338288948.db2.gz JTKWSDHYQMFRNQ-LBPRGKRZSA-N -1 1 301.773 3.505 20 0 DHADMM CCc1ccc(C(=O)N2C[C@@H](C)CN(C)c3ccccc32)c([O-])c1 ZINC000436831893 338289007 /nfs/dbraw/zinc/28/90/07/338289007.db2.gz HJNSTZMCPHOKSD-AWEZNQCLSA-N -1 1 324.424 3.687 20 0 DHADMM O=C(Nc1nc(-c2ccco2)cs1)c1ccc([O-])cc1F ZINC000436869973 338290763 /nfs/dbraw/zinc/29/07/63/338290763.db2.gz MFPORRAAIFKHLM-UHFFFAOYSA-N -1 1 304.302 3.500 20 0 DHADMM O=C1CC[C@@H](c2nc(-c3ccc([O-])cc3F)no2)c2ccccc21 ZINC000436870699 338290786 /nfs/dbraw/zinc/29/07/86/338290786.db2.gz FGWWPBYYMMPLOT-CYBMUJFWSA-N -1 1 324.311 3.690 20 0 DHADMM Cc1cc2n[nH]cc2cc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000436889195 338291974 /nfs/dbraw/zinc/29/19/74/338291974.db2.gz VHBJQVBFQZYEAB-UHFFFAOYSA-N -1 1 317.348 3.982 20 0 DHADMM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436893326 338292298 /nfs/dbraw/zinc/29/22/98/338292298.db2.gz MWLCSVAJMGVLCN-LBPRGKRZSA-N -1 1 323.348 3.541 20 0 DHADMM O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2)C1)c1c([O-])cccc1F ZINC000436921688 338293362 /nfs/dbraw/zinc/29/33/62/338293362.db2.gz KJODIPVKMAVWTF-TZMCWYRMSA-N -1 1 317.335 3.737 20 0 DHADMM O=C(N[C@H]1CCSc2ccc(F)cc21)c1c([O-])cccc1F ZINC000436951656 338295523 /nfs/dbraw/zinc/29/55/23/338295523.db2.gz ZRSZYWOWRMCVDP-LBPRGKRZSA-N -1 1 321.348 3.637 20 0 DHADMM O=C(Nc1cccc(-c2cccs2)c1)C(=O)c1ccc([O-])cc1 ZINC000436967986 338296221 /nfs/dbraw/zinc/29/62/21/338296221.db2.gz UDEIUVWHQJTYOM-UHFFFAOYSA-N -1 1 323.373 3.942 20 0 DHADMM O=C(NCc1cc(F)cc(F)c1)c1ccc2ccccc2c1[O-] ZINC000436984838 338296737 /nfs/dbraw/zinc/29/67/37/338296737.db2.gz NORQTSZCHQZWPI-UHFFFAOYSA-N -1 1 313.303 3.754 20 0 DHADMM CC[C@H](C)n1nc(C(=O)Nc2ccc(Cl)cc2[O-])cc1C ZINC000437002473 338297285 /nfs/dbraw/zinc/29/72/85/338297285.db2.gz HOPRUZVXCQBULS-VIFPVBQESA-N -1 1 307.781 3.774 20 0 DHADMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc([C@H](C)CC)cc2)c1C ZINC000438226185 338337175 /nfs/dbraw/zinc/33/71/75/338337175.db2.gz VDMAAXBHJFAZDQ-LLVKDONJSA-N -1 1 321.446 3.595 20 0 DHADMM CC(=O)c1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000438977750 338357536 /nfs/dbraw/zinc/35/75/36/338357536.db2.gz WLQSBLRZZFRRKV-UHFFFAOYSA-N -1 1 309.365 3.726 20 0 DHADMM COc1cc(C(=O)N(C)[C@H]2CCC[C@H](C)C2)cc(Cl)c1[O-] ZINC000442858345 338435345 /nfs/dbraw/zinc/43/53/45/338435345.db2.gz RUZIYCXRFOGAIG-JQWIXIFHSA-N -1 1 311.809 3.705 20 0 DHADMM COc1cc(C)cc([N-]S(=O)(=O)c2ccc(F)c(C)c2)c1C ZINC000447260334 338547852 /nfs/dbraw/zinc/54/78/52/338547852.db2.gz KIPOBWZRSRCIHR-UHFFFAOYSA-N -1 1 323.389 3.560 20 0 DHADMM C[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccc(Cl)cn1 ZINC000194683927 338715719 /nfs/dbraw/zinc/71/57/19/338715719.db2.gz AFEFVWRXYBPPLZ-QMMMGPOBSA-N -1 1 311.168 3.585 20 0 DHADMM Cc1cc(C)c(S(=O)(=O)[N-]c2cncc(Cl)c2C)c(C)c1 ZINC000451063829 338720132 /nfs/dbraw/zinc/72/01/32/338720132.db2.gz GZNLJZIUSOQEGN-UHFFFAOYSA-N -1 1 324.833 3.769 20 0 DHADMM [O-]c1ccc(-c2noc(C3(C(F)(F)F)CCC3)n2)cc1F ZINC000453178961 338803361 /nfs/dbraw/zinc/80/33/61/338803361.db2.gz PIXYGOSYNIGRMA-UHFFFAOYSA-N -1 1 302.227 3.565 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000456292891 338925012 /nfs/dbraw/zinc/92/50/12/338925012.db2.gz XLLLYZWPOOEQBE-ZWKOTPCHSA-N -1 1 307.393 3.806 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000456797223 338941213 /nfs/dbraw/zinc/94/12/13/338941213.db2.gz ZNWGDXGICVAQGH-SFYZADRCSA-N -1 1 323.261 3.978 20 0 DHADMM CC[C@@H]1CC[C@H](C)N(C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000456800122 338941288 /nfs/dbraw/zinc/94/12/88/338941288.db2.gz NNJIBMWOAMPBGH-WDEREUQCSA-N -1 1 311.809 3.705 20 0 DHADMM CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1CC(C)(C)C1 ZINC000458185571 338991107 /nfs/dbraw/zinc/99/11/07/338991107.db2.gz MFUVSRVNPARUCZ-UHFFFAOYSA-N -1 1 301.308 3.672 20 0 DHADMM Cc1cnc(C(=O)N2CCC[C@H]2c2cccc(C)c2C)c([O-])c1 ZINC000460189583 339014512 /nfs/dbraw/zinc/01/45/12/339014512.db2.gz DMKILMMJYONXJY-INIZCTEOSA-N -1 1 310.397 3.690 20 0 DHADMM CC(C)N(Cc1cccc(F)c1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459314063 339021200 /nfs/dbraw/zinc/02/12/00/339021200.db2.gz YVNOJYHWGILVRS-UHFFFAOYSA-N -1 1 315.392 3.609 20 0 DHADMM CCCCCN(Cc1ccc(F)cc1)C(=O)c1ncccc1[O-] ZINC000460196376 339022191 /nfs/dbraw/zinc/02/21/91/339022191.db2.gz HBIDAYXZSCFGRU-UHFFFAOYSA-N -1 1 316.376 3.759 20 0 DHADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)c1ccc(Cl)cc1 ZINC000470445711 339319974 /nfs/dbraw/zinc/31/99/74/339319974.db2.gz LLDRMAKYALPEEA-UHFFFAOYSA-N -1 1 320.801 3.688 20 0 DHADMM COc1cc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)ccc1F ZINC000471615496 339349693 /nfs/dbraw/zinc/34/96/93/339349693.db2.gz UIACXKHOZYRIAI-UHFFFAOYSA-N -1 1 323.389 3.759 20 0 DHADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)c1 ZINC000476256302 339472392 /nfs/dbraw/zinc/47/23/92/339472392.db2.gz HWILCTOSGYSQFF-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM Cc1ccccc1S(=O)(=O)[N-]c1ccnc(-c2ccccc2)c1 ZINC000479321676 339531187 /nfs/dbraw/zinc/53/11/87/339531187.db2.gz WZZBVWJTXZXCEP-UHFFFAOYSA-N -1 1 324.405 3.858 20 0 DHADMM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000479503235 339538369 /nfs/dbraw/zinc/53/83/69/339538369.db2.gz OJZPEZMTCORUDQ-UHFFFAOYSA-N -1 1 318.423 3.714 20 0 DHADMM Cc1ccccc1S(=O)(=O)[N-]c1ccccc1N(C)C(C)C ZINC000500823686 340067867 /nfs/dbraw/zinc/06/78/67/340067867.db2.gz QHTREDSZIXYBBG-UHFFFAOYSA-N -1 1 318.442 3.640 20 0 DHADMM Cc1ccccc1N1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000506994644 340205034 /nfs/dbraw/zinc/20/50/34/340205034.db2.gz KPZMJCHYFUGAIX-UHFFFAOYSA-N -1 1 316.832 3.676 20 0 DHADMM C[N@@H+](CCCOc1ccccc1)Cc1cccc(O)c1Cl ZINC000507534979 340224664 /nfs/dbraw/zinc/22/46/64/340224664.db2.gz QGAHTNWDHDQWRY-UHFFFAOYSA-N -1 1 305.805 3.947 20 0 DHADMM Cc1cc([N-]S(=O)(=O)c2cccs2)c(Cl)cc1F ZINC000507550324 340224993 /nfs/dbraw/zinc/22/49/93/340224993.db2.gz LXBVAKRLDRADMR-UHFFFAOYSA-N -1 1 305.783 3.650 20 0 DHADMM [O-]c1cccc(CN2CCO[C@H](c3ccccc3F)C2)c1Cl ZINC000508171731 340240086 /nfs/dbraw/zinc/24/00/86/340240086.db2.gz AXBIFQJVRTWIOX-INIZCTEOSA-N -1 1 321.779 3.758 20 0 DHADMM CCCCOc1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000511257843 340324536 /nfs/dbraw/zinc/32/45/36/340324536.db2.gz KJSWHSAOMWLMFE-UHFFFAOYSA-N -1 1 319.426 3.975 20 0 DHADMM CCc1nc([C@H](C)NC(=O)c2cc(Cl)ccc2[O-])cs1 ZINC000303487260 340327638 /nfs/dbraw/zinc/32/76/38/340327638.db2.gz LFRDAXDXRYPTAS-QMMMGPOBSA-N -1 1 310.806 3.556 20 0 DHADMM COC(=O)c1cc(NCc2cccc([O-])c2Cl)ccc1C ZINC000512238240 340353632 /nfs/dbraw/zinc/35/36/32/340353632.db2.gz ZEQYOSJTPPLIBY-UHFFFAOYSA-N -1 1 305.761 3.753 20 0 DHADMM C[C@H]1[C@H](C(F)(F)F)CCN1c1c(C(=O)[O-])cnc2ccccc21 ZINC000517153888 340464539 /nfs/dbraw/zinc/46/45/39/340464539.db2.gz KAQNETQKNSQTGN-JOYOIKCWSA-N -1 1 324.302 3.710 20 0 DHADMM C[C@@H](c1ccccc1Cl)N(C(=O)c1ncccc1[O-])C1CC1 ZINC000123363548 340751420 /nfs/dbraw/zinc/75/14/20/340751420.db2.gz ZADGUXBMMHUWAH-NSHDSACASA-N -1 1 316.788 3.806 20 0 DHADMM COc1ccc(C2(C(=O)Nc3cccc(F)c3[O-])CCC2)cc1 ZINC000530005987 340775998 /nfs/dbraw/zinc/77/59/98/340775998.db2.gz LMHNUVZLQMWXRJ-UHFFFAOYSA-N -1 1 315.344 3.600 20 0 DHADMM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000124297965 340798328 /nfs/dbraw/zinc/79/83/28/340798328.db2.gz VZAVLSBOYZNOBB-HOTGVXAUSA-N -1 1 310.397 3.586 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc2c(cccc2F)[nH]1 ZINC000129609699 340975720 /nfs/dbraw/zinc/97/57/20/340975720.db2.gz AYUONIYTQSHTQL-UHFFFAOYSA-N -1 1 304.708 3.918 20 0 DHADMM COc1csc(C(=O)[N-]c2c(C)noc2-c2ccccc2)c1 ZINC000130880570 341052533 /nfs/dbraw/zinc/05/25/33/341052533.db2.gz TWZKWMBLDSDDLR-UHFFFAOYSA-N -1 1 314.366 3.972 20 0 DHADMM CC(C)c1ccc(CCNC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000564294235 341141253 /nfs/dbraw/zinc/14/12/53/341141253.db2.gz YXJLWJHTPJAABI-UHFFFAOYSA-N -1 1 319.351 3.766 20 0 DHADMM CSCc1ccccc1[N-]S(=O)(=O)c1ccccc1C ZINC000546778782 341182294 /nfs/dbraw/zinc/18/22/94/341182294.db2.gz QPIVPNUZLPJCJY-UHFFFAOYSA-N -1 1 307.440 3.659 20 0 DHADMM CC[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CCS1 ZINC000135392786 341238498 /nfs/dbraw/zinc/23/84/98/341238498.db2.gz IIQQEMFSWCQNND-ZDUSSCGKSA-N -1 1 301.411 3.513 20 0 DHADMM CC(=O)Nc1cccc(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000078787771 341247632 /nfs/dbraw/zinc/24/76/32/341247632.db2.gz UYKFLCPRHBTHMT-UHFFFAOYSA-N -1 1 320.348 3.756 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2ccc3ncccc3c2)c(C)s1 ZINC000135936509 341248494 /nfs/dbraw/zinc/24/84/94/341248494.db2.gz IUVFYPCGXALWRJ-UHFFFAOYSA-N -1 1 318.423 3.714 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@](F)(c2ccccc2)C1 ZINC000564345711 341255126 /nfs/dbraw/zinc/25/51/26/341255126.db2.gz JXWUTIAAXFBQGQ-QGZVFWFLSA-N -1 1 319.763 3.757 20 0 DHADMM CCOCc1cccc([N-]S(=O)(=O)c2cccc(CC)c2)c1 ZINC000080939659 341276994 /nfs/dbraw/zinc/27/69/94/341276994.db2.gz PNKPLSQKVBLZNV-UHFFFAOYSA-N -1 1 319.426 3.586 20 0 DHADMM O=C([N-]c1c(F)cccc1F)c1occc1Br ZINC000080938105 341277009 /nfs/dbraw/zinc/27/70/09/341277009.db2.gz DTLKFWFXLACQRI-UHFFFAOYSA-N -1 1 302.074 3.573 20 0 DHADMM CCc1onc(C)c1[N-]C(=O)c1ncoc1-c1ccc(C)cc1 ZINC000089392533 341404059 /nfs/dbraw/zinc/40/40/59/341404059.db2.gz BYQZNKUGHPFSSZ-UHFFFAOYSA-N -1 1 311.341 3.761 20 0 DHADMM Cc1cc(F)ccc1Cc1noc(-c2ccc([O-])cc2F)n1 ZINC000556004948 341492312 /nfs/dbraw/zinc/49/23/12/341492312.db2.gz LELLRGXLNUAOQU-UHFFFAOYSA-N -1 1 302.280 3.620 20 0 DHADMM CC1(CC(=O)Nc2c([O-])cc(Br)cc2Cl)CC1 ZINC000573849467 341741164 /nfs/dbraw/zinc/74/11/64/341741164.db2.gz JCLYZPKAHRTLET-UHFFFAOYSA-N -1 1 318.598 3.937 20 0 DHADMM CC[C@H]1CCCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000338370080 523081790 /nfs/dbraw/zinc/08/17/90/523081790.db2.gz SLFIUVUSILJPLL-NSHDSACASA-N -1 1 318.804 3.856 20 0 DHADMM CC[C@]1(C)CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000338413129 523566005 /nfs/dbraw/zinc/56/60/05/523566005.db2.gz BEWTUAWNAKYFOD-QGZVFWFLSA-N -1 1 318.804 3.856 20 0 DHADMM C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000226397620 526038390 /nfs/dbraw/zinc/03/83/90/526038390.db2.gz FNOVYJWYCDHZDM-GXSJLCMTSA-N -1 1 302.201 3.851 20 0 DHADMM C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](C(=O)[O-])C1 ZINC000226397625 526045950 /nfs/dbraw/zinc/04/59/50/526045950.db2.gz FNOVYJWYCDHZDM-MWLCHTKSSA-N -1 1 302.201 3.851 20 0 DHADMM O=c1nc(CN2CCC3(CCCC3)CC2)[n-]c2ccsc21 ZINC000265635206 526378199 /nfs/dbraw/zinc/37/81/99/526378199.db2.gz GRLOSNMLNPTOCR-UHFFFAOYSA-N -1 1 303.431 3.553 20 0 DHADMM CCCc1nc(CSc2nc(C(F)F)cc(=O)[n-]2)cs1 ZINC000289449711 535534301 /nfs/dbraw/zinc/53/43/01/535534301.db2.gz DVOTVAOAMCXMIL-UHFFFAOYSA-N -1 1 317.386 3.821 20 0 DHADMM O=C([O-])c1cccc(CN[C@H](c2ccccc2)c2ccncc2)c1 ZINC000392452096 598203172 /nfs/dbraw/zinc/20/31/72/598203172.db2.gz KMVDFOFSPYCBFF-LJQANCHMSA-N -1 1 318.376 3.659 20 0 DHADMM Fc1cccc(Oc2ccc(Cl)cc2F)c1-c1nnn[n-]1 ZINC000737644815 598234966 /nfs/dbraw/zinc/23/49/66/598234966.db2.gz NBRNOSSHVWPQNT-UHFFFAOYSA-N -1 1 308.675 3.591 20 0 DHADMM Fc1cccc(Oc2ccc(Cl)cc2F)c1-c1nn[n-]n1 ZINC000737644815 598234969 /nfs/dbraw/zinc/23/49/69/598234969.db2.gz NBRNOSSHVWPQNT-UHFFFAOYSA-N -1 1 308.675 3.591 20 0 DHADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc2ccccc2c1 ZINC000736138979 599394266 /nfs/dbraw/zinc/39/42/66/599394266.db2.gz SYWMUIVSENBVCM-GFCCVEGCSA-N -1 1 316.368 3.588 20 0 DHADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc2ccccc2c1 ZINC000736138979 599394269 /nfs/dbraw/zinc/39/42/69/599394269.db2.gz SYWMUIVSENBVCM-GFCCVEGCSA-N -1 1 316.368 3.588 20 0 DHADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(C(C)(C)C)cc1 ZINC000736137827 599411417 /nfs/dbraw/zinc/41/14/17/599411417.db2.gz NZZZOEBKMVZOIC-LBPRGKRZSA-N -1 1 322.416 3.732 20 0 DHADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(C(C)(C)C)cc1 ZINC000736137827 599411419 /nfs/dbraw/zinc/41/14/19/599411419.db2.gz NZZZOEBKMVZOIC-LBPRGKRZSA-N -1 1 322.416 3.732 20 0 DHADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1cc2ccccc2s1 ZINC000736139634 599433533 /nfs/dbraw/zinc/43/35/33/599433533.db2.gz VXVJTRYNFFUFJQ-JTQLQIEISA-N -1 1 322.397 3.650 20 0 DHADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1cc2ccccc2s1 ZINC000736139634 599433534 /nfs/dbraw/zinc/43/35/34/599433534.db2.gz VXVJTRYNFFUFJQ-JTQLQIEISA-N -1 1 322.397 3.650 20 0 DHADMM C[C@H](Sc1cccc(F)c1-c1nn[n-]n1)c1cccs1 ZINC000736193341 599532156 /nfs/dbraw/zinc/53/21/56/599532156.db2.gz PHMULJHZUBZLLW-QMMMGPOBSA-N -1 1 306.391 3.921 20 0 DHADMM CCN(Cc1cc(C(=O)[O-])co1)[C@@H](C)c1cccc(OC)c1 ZINC000519167211 599847094 /nfs/dbraw/zinc/84/70/94/599847094.db2.gz KSHXFACGXWCMIV-LBPRGKRZSA-N -1 1 303.358 3.570 20 0 DHADMM CC1CCC(OC2CCN(Cc3cc(C(=O)[O-])co3)CC2)CC1 ZINC000652411068 599866801 /nfs/dbraw/zinc/86/68/01/599866801.db2.gz YLPOYSLZJQQVNF-UHFFFAOYSA-N -1 1 321.417 3.538 20 0 DHADMM CC(C)N(CCC(=O)[O-])Cc1csc(-c2ccc(F)cc2)n1 ZINC000652479161 600221436 /nfs/dbraw/zinc/22/14/36/600221436.db2.gz MXQJYNVZSIYVDW-UHFFFAOYSA-N -1 1 322.405 3.634 20 0 DHADMM CN(Cc1ccc(Cl)cc1F)[C@H](C(=O)[O-])c1ccccc1 ZINC000737472047 600407675 /nfs/dbraw/zinc/40/76/75/600407675.db2.gz JTHQQZRFYFENSF-HNNXBMFYSA-N -1 1 307.752 3.737 20 0 DHADMM COc1ccc(C)cc1[C@@H](C)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737975409 600419387 /nfs/dbraw/zinc/41/93/87/600419387.db2.gz HPWNBJUAMRPCGO-PXAZEXFGSA-N -1 1 317.360 3.619 20 0 DHADMM C[C@@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1ccc(Cl)cc1 ZINC000827718285 600732366 /nfs/dbraw/zinc/73/23/66/600732366.db2.gz QEBVHUWDBCJFIB-MEBBXXQBSA-N -1 1 307.752 3.956 20 0 DHADMM C[C@H](N[C@H](C(=O)[O-])c1ccccc1F)c1ccc(Cl)cc1 ZINC000827718284 600732380 /nfs/dbraw/zinc/73/23/80/600732380.db2.gz QEBVHUWDBCJFIB-BONVTDFDSA-N -1 1 307.752 3.956 20 0 DHADMM CCOc1cccc([C@@H](C)N[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000830099500 600744601 /nfs/dbraw/zinc/74/46/01/600744601.db2.gz GNIWXXNHBKJOAW-PXAZEXFGSA-N -1 1 317.360 3.701 20 0 DHADMM CCCN(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)C1CC1 ZINC000582186895 600825407 /nfs/dbraw/zinc/82/54/07/600825407.db2.gz WMIPVNSDJIEJQC-UHFFFAOYSA-N -1 1 316.426 3.883 20 0 DHADMM CCN(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)CC1CC1 ZINC000582306262 600829141 /nfs/dbraw/zinc/82/91/41/600829141.db2.gz IDPZMBAPADRXAW-UHFFFAOYSA-N -1 1 316.426 3.740 20 0 DHADMM CN(Cc1cccc(Cl)c1)[C@@H](C(=O)[O-])c1ccccc1F ZINC000830844533 600982821 /nfs/dbraw/zinc/98/28/21/600982821.db2.gz CAOJUBSKPVFZAV-OAHLLOKOSA-N -1 1 307.752 3.737 20 0 DHADMM C[C@@H]1CCN(Cc2cc(C(=O)[O-])co2)[C@@H]1c1cccc(F)c1 ZINC000574164077 601118183 /nfs/dbraw/zinc/11/81/83/601118183.db2.gz BLQSMIWKSWXXEA-BZNIZROVSA-N -1 1 303.333 3.700 20 0 DHADMM C[C@H](CN(Cc1cnc(Cl)s1)Cc1ccccc1)C(=O)[O-] ZINC000827454625 601136230 /nfs/dbraw/zinc/13/62/30/601136230.db2.gz DCKOBYSPVPRLGV-LLVKDONJSA-N -1 1 324.833 3.519 20 0 DHADMM O=C([O-])c1ccc(CN2CCC[C@H]2c2ccsc2)cc1F ZINC000580451235 601619516 /nfs/dbraw/zinc/61/95/16/601619516.db2.gz AEKDXVCRPWFCOS-HNNXBMFYSA-N -1 1 305.374 3.923 20 0 DHADMM O=C([O-])c1ccc(CSc2nc(-c3ccccc3)n[nH]2)s1 ZINC000833317638 601892080 /nfs/dbraw/zinc/89/20/80/601892080.db2.gz ZUTBJGCMYYHSDD-UHFFFAOYSA-N -1 1 317.395 3.524 20 0 DHADMM O=C([O-])[C@H](c1cc(Cl)cc(Cl)c1)N1C[C@@H]2CCC[C@@H]21 ZINC000833171787 602049678 /nfs/dbraw/zinc/04/96/78/602049678.db2.gz PWBBTTUKOHZVKS-HJIKLVIJSA-N -1 1 300.185 3.603 20 0 DHADMM C[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1ccc(Cl)s1 ZINC000825503072 603534937 /nfs/dbraw/zinc/53/49/37/603534937.db2.gz OJIQEGTXVHOYQF-MRVPVSSYSA-N -1 1 311.794 3.737 20 0 DHADMM CC[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1ccc(F)cc1F ZINC000826619316 603555084 /nfs/dbraw/zinc/55/50/84/603555084.db2.gz IZNXGLBLYSTBDG-CQSZACIVSA-N -1 1 321.327 3.691 20 0 DHADMM C[C@H]1C[C@@H]1c1ccc(CN(Cc2c[nH]c(C(=O)[O-])c2)C2CC2)o1 ZINC000833604622 604533291 /nfs/dbraw/zinc/53/32/91/604533291.db2.gz KQLJVHHDLHXOJA-NHYWBVRUSA-N -1 1 314.385 3.594 20 0 DHADMM C[C@H]1CN(Cc2cc(C(F)(F)F)ccc2Cl)C[C@H]1C(=O)[O-] ZINC000833630498 604666110 /nfs/dbraw/zinc/66/61/10/604666110.db2.gz UIOSPQTZXSUMRJ-GZMMTYOYSA-N -1 1 321.726 3.511 20 0 DHADMM C[C@@]1(C(=O)[O-])CCN(Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000263449954 604673983 /nfs/dbraw/zinc/67/39/83/604673983.db2.gz ADDQJNGLBIBIAU-CYBMUJFWSA-N -1 1 321.726 3.655 20 0 DHADMM Cc1ccc([C@H](C)NCc2ccc([C@@H](C)NC(=O)[O-])cc2)o1 ZINC000830257490 605119885 /nfs/dbraw/zinc/11/98/85/605119885.db2.gz UZLJGKADJQBEJU-OLZOCXBDSA-N -1 1 302.374 3.767 20 0 DHADMM CCN(CCC(F)(F)F)Cc1cccc2c1N(C(=O)[O-])CC2 ZINC000833857195 605577614 /nfs/dbraw/zinc/57/76/14/605577614.db2.gz GHXPPROHSVLXGR-UHFFFAOYSA-N -1 1 316.323 3.501 20 0 DHADMM C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc(C(=O)[O-])s1 ZINC000833604336 605703999 /nfs/dbraw/zinc/70/39/99/605703999.db2.gz DTQREEDUCPQUCP-IUCAKERBSA-N -1 1 307.337 3.609 20 0 DHADMM O=C([O-])N[C@H]1C[C@@H](NCc2cc3ccccc3o2)c2ccccc21 ZINC000834159736 605795756 /nfs/dbraw/zinc/79/57/56/605795756.db2.gz WHEGKTIPQJZEPB-SJORKVTESA-N -1 1 322.364 3.976 20 0 DHADMM c1ccc(-c2ccc(Oc3cccc(-c4nnn[n-]4)n3)cc2)cc1 ZINC000826519430 607895305 /nfs/dbraw/zinc/89/53/05/607895305.db2.gz YHWOLRQHKNLENU-UHFFFAOYSA-N -1 1 315.336 3.721 20 0 DHADMM c1ccc(-c2ccc(Oc3cccc(-c4nn[n-]n4)n3)cc2)cc1 ZINC000826519430 607895306 /nfs/dbraw/zinc/89/53/06/607895306.db2.gz YHWOLRQHKNLENU-UHFFFAOYSA-N -1 1 315.336 3.721 20 0 DHADMM CC(C)(C)CC(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000824080602 607929050 /nfs/dbraw/zinc/92/90/50/607929050.db2.gz YIUMVZPBOXPTAP-UHFFFAOYSA-N -1 1 321.450 3.600 20 0 DHADMM CC(C)(C)CC(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000824080602 607929051 /nfs/dbraw/zinc/92/90/51/607929051.db2.gz YIUMVZPBOXPTAP-UHFFFAOYSA-N -1 1 321.450 3.600 20 0 DHADMM CC(C)=C(C)C(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000824177252 608349725 /nfs/dbraw/zinc/34/97/25/608349725.db2.gz FSSRKACSJRWVQB-UHFFFAOYSA-N -1 1 319.434 3.521 20 0 DHADMM CC(C)=C(C)C(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000824177252 608349727 /nfs/dbraw/zinc/34/97/27/608349727.db2.gz FSSRKACSJRWVQB-UHFFFAOYSA-N -1 1 319.434 3.521 20 0 DHADMM c1ccc([C@H](CC2CCC2)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000826520278 609321862 /nfs/dbraw/zinc/32/18/62/609321862.db2.gz DXQALBDBEUZCHD-INIZCTEOSA-N -1 1 320.400 3.605 20 0 DHADMM c1ccc([C@H](CC2CCC2)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000826520278 609321864 /nfs/dbraw/zinc/32/18/64/609321864.db2.gz DXQALBDBEUZCHD-INIZCTEOSA-N -1 1 320.400 3.605 20 0 DHADMM CC[C@]1(C(=O)[O-])CCCN(Cc2nc(C(C)(C)C)cs2)C1 ZINC000094969429 949188634 /nfs/dbraw/zinc/18/86/34/949188634.db2.gz UVHJFFBOGJTXMZ-INIZCTEOSA-N -1 1 310.463 3.517 20 0 DHADMM O=C([O-])c1cccc(CN[C@H]2CCOc3c(Cl)cccc32)c1 ZINC001595245158 949513564 /nfs/dbraw/zinc/51/35/64/949513564.db2.gz WIXWWXQGZYDPJX-HNNXBMFYSA-N -1 1 317.772 3.652 20 0 DHADMM O=C(NC[C@H]1CCCCC(F)(F)C1)c1c(F)ccc([O-])c1F ZINC000293546214 1013099661 /nfs/dbraw/zinc/09/96/61/1013099661.db2.gz BNFVIPATTCRYFO-VIFPVBQESA-N -1 1 319.298 3.616 20 0 DHADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2cc(Cl)ccc2Cl)C1 ZINC000263138246 950287025 /nfs/dbraw/zinc/28/70/25/950287025.db2.gz DJTFSSBHDNIXEK-MWLCHTKSSA-N -1 1 302.201 3.536 20 0 DHADMM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2cc(Cl)ccc2Cl)C1 ZINC000263138241 950287124 /nfs/dbraw/zinc/28/71/24/950287124.db2.gz DJTFSSBHDNIXEK-GXSJLCMTSA-N -1 1 302.201 3.536 20 0 DHADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000263467264 950477679 /nfs/dbraw/zinc/47/76/79/950477679.db2.gz CWPVHSLLVYOCKO-MWLCHTKSSA-N -1 1 319.298 3.530 20 0 DHADMM O=C([O-])C[C@@H]1CCCN(Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000317033888 950897164 /nfs/dbraw/zinc/89/71/64/950897164.db2.gz TWFNMESLKAOULN-JTQLQIEISA-N -1 1 319.298 3.531 20 0 DHADMM O=C(c1cncc([O-])c1)N(Cc1cccc(F)c1)C1CCCC1 ZINC000339945972 1013117982 /nfs/dbraw/zinc/11/79/82/1013117982.db2.gz FRQIDYOZNMYSRG-UHFFFAOYSA-N -1 1 314.360 3.511 20 0 DHADMM C[C@H](N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)c1cccnc1Cl ZINC001589123147 956143816 /nfs/dbraw/zinc/14/38/16/956143816.db2.gz IYPMIDWJRGDCHK-LKTVYLICSA-N -1 1 316.788 3.699 20 0 DHADMM COC[C@H](NCc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001593957033 956440236 /nfs/dbraw/zinc/44/02/36/956440236.db2.gz KFZHIIUXMBQBES-INIZCTEOSA-N -1 1 319.788 3.516 20 0 DHADMM COC[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC001593957034 956440730 /nfs/dbraw/zinc/44/07/30/956440730.db2.gz KFZHIIUXMBQBES-MRXNPFEDSA-N -1 1 319.788 3.516 20 0 DHADMM C[C@@]1(C(=O)[O-])CCCN1Cc1ccc(-c2cccc(F)c2F)o1 ZINC001589186782 956562830 /nfs/dbraw/zinc/56/28/30/956562830.db2.gz CYSHHQVJRCNXDD-KRWDZBQOSA-N -1 1 321.323 3.664 20 0 DHADMM CC[C@@]1(C(=O)[O-])CCCN(Cc2ncc(C(C)(C)C)s2)C1 ZINC000904400706 956955132 /nfs/dbraw/zinc/95/51/32/956955132.db2.gz LOELJJQTFUFWDW-MRXNPFEDSA-N -1 1 310.463 3.517 20 0 DHADMM COc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C)c2)c(Cl)c1 ZINC001594094634 958389878 /nfs/dbraw/zinc/38/98/78/958389878.db2.gz QYUFMQZKGLUBSA-MRXNPFEDSA-N -1 1 319.788 3.573 20 0 DHADMM O=c1c2c([n-]n1Cc1cnc3ccccc3c1)CCCCCC2 ZINC000634618217 1013275255 /nfs/dbraw/zinc/27/52/55/1013275255.db2.gz JUGRYTQICNMAPU-INIZCTEOSA-N -1 1 307.397 3.903 20 0 DHADMM COC1(c2noc(-c3cc(SC)ccc3[O-])n2)CCCC1 ZINC000664836700 1013440331 /nfs/dbraw/zinc/44/03/31/1013440331.db2.gz UZXNTVCRJWAOKI-UHFFFAOYSA-N -1 1 306.387 3.580 20 0 DHADMM CCOc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1OCC ZINC000340331033 1013498016 /nfs/dbraw/zinc/49/80/16/1013498016.db2.gz OBHBCURHWAJPFK-UHFFFAOYSA-N -1 1 319.332 3.581 20 0 DHADMM CSCc1cc(C(=O)Nc2ccc(F)cc2[O-])ccc1F ZINC000340331130 1013498587 /nfs/dbraw/zinc/49/85/87/1013498587.db2.gz RHBIVAZOCRSJCX-UHFFFAOYSA-N -1 1 309.337 3.786 20 0 DHADMM CO[C@@H](c1nc(-c2ccc([O-])cc2F)no1)C1CCCCC1 ZINC000664849106 1013499529 /nfs/dbraw/zinc/49/95/29/1013499529.db2.gz CSKAKBVYLLGBQH-CQSZACIVSA-N -1 1 306.337 3.849 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1cnc(-c2ccco2)s1 ZINC000340331750 1013500361 /nfs/dbraw/zinc/50/03/61/1013500361.db2.gz AWNLVTRQJXDILW-UHFFFAOYSA-N -1 1 304.302 3.500 20 0 DHADMM CSc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(C)o2)cc1 ZINC000426769978 1013501539 /nfs/dbraw/zinc/50/15/39/1013501539.db2.gz NPKQPJVUDRTWRD-AWEZNQCLSA-N -1 1 305.399 3.616 20 0 DHADMM C[C@@H](c1cccc(Cl)c1)N(C)Cc1ccc(C(=O)[O-])cn1 ZINC000094762726 1013538120 /nfs/dbraw/zinc/53/81/20/1013538120.db2.gz RROSMFLQLYFEFZ-NSHDSACASA-N -1 1 304.777 3.626 20 0 DHADMM CCc1cc(=O)[n-]c(S[C@H](C)CCSc2ccccc2)n1 ZINC000188113301 1013635219 /nfs/dbraw/zinc/63/52/19/1013635219.db2.gz BYODKJSOOVGTJV-GFCCVEGCSA-N -1 1 320.483 3.995 20 0 DHADMM [O-]c1ccc(-c2noc(CNc3ccccc3Cl)n2)cc1F ZINC000683593007 1013703191 /nfs/dbraw/zinc/70/31/91/1013703191.db2.gz FJKJKYGFYZRRMM-UHFFFAOYSA-N -1 1 319.723 3.847 20 0 DHADMM O=C(Nc1ccc2[nH]ccc2c1)c1ccc2cccnc2c1[O-] ZINC000143170711 1013773971 /nfs/dbraw/zinc/77/39/71/1013773971.db2.gz SZFIVDMOHDEGMP-UHFFFAOYSA-N -1 1 303.321 3.674 20 0 DHADMM CN(C(=O)c1ccc([O-])cc1F)[C@H]1CCC[C@H]1c1ccccc1 ZINC000458023254 1013844140 /nfs/dbraw/zinc/84/41/40/1013844140.db2.gz IMFDOSACIGWTTP-YJBOKZPZSA-N -1 1 313.372 3.940 20 0 DHADMM O=C([O-])[C@H](NCc1cc(Cl)ccc1F)c1ccc(F)cc1 ZINC001605904498 972752654 /nfs/dbraw/zinc/75/26/54/972752654.db2.gz XJVKQUOFYPCGAL-CQSZACIVSA-N -1 1 311.715 3.534 20 0 DHADMM O=C([O-])[C@H]1CN(C/C=C\c2cccc(F)c2)Cc2ccccc21 ZINC001606046478 973152743 /nfs/dbraw/zinc/15/27/43/973152743.db2.gz RCDIVDBIOOBKJG-SUZKBHRPSA-N -1 1 311.356 3.523 20 0 DHADMM Cc1cccc([C@H](NCc2ccc(Cl)cc2F)C(=O)[O-])c1 ZINC001605328836 973189788 /nfs/dbraw/zinc/18/97/88/973189788.db2.gz DWTVRZXXMLQIDN-HNNXBMFYSA-N -1 1 307.752 3.703 20 0 DHADMM CC(C)c1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cc1 ZINC000028781216 1014103283 /nfs/dbraw/zinc/10/32/83/1014103283.db2.gz HURZRHCPYWKGLA-UHFFFAOYSA-N -1 1 311.353 3.889 20 0 DHADMM COc1ccc([C@H](C)N(C)Cc2ccc(C(=O)[O-])cc2F)cc1 ZINC000566357548 974606352 /nfs/dbraw/zinc/60/63/52/974606352.db2.gz BJOKGRLIGDRELP-LBPRGKRZSA-N -1 1 317.360 3.726 20 0 DHADMM COc1cccc([C@@H](C)[N@H+]2CCc3ccc(C(=O)[O-])cc3C2)c1 ZINC000567281367 974631625 /nfs/dbraw/zinc/63/16/25/974631625.db2.gz WCWWGQSSPSNWDD-CYBMUJFWSA-N -1 1 311.381 3.513 20 0 DHADMM COc1cccc([C@@H](C)N2CCc3ccc(C(=O)[O-])cc3C2)c1 ZINC000567281367 974631628 /nfs/dbraw/zinc/63/16/28/974631628.db2.gz WCWWGQSSPSNWDD-CYBMUJFWSA-N -1 1 311.381 3.513 20 0 DHADMM C[C@]12CCN(Cc3cc(C(=O)[O-])ccc3Cl)C[C@H]1C2(F)F ZINC000570226352 974708156 /nfs/dbraw/zinc/70/81/56/974708156.db2.gz QVTZMESHAPDSNN-OCCSQVGLSA-N -1 1 315.747 3.515 20 0 DHADMM C[C@@H](CN(Cc1nc(C2CCCCC2)cs1)C1CC1)C(=O)[O-] ZINC000571219563 974725930 /nfs/dbraw/zinc/72/59/30/974725930.db2.gz KOOXRVJVZWBSKG-LBPRGKRZSA-N -1 1 322.474 3.876 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CN(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000574525959 974784291 /nfs/dbraw/zinc/78/42/91/974784291.db2.gz WKXNFVMRSXOWSC-VIFPVBQESA-N -1 1 309.312 3.757 20 0 DHADMM COc1cccc([C@@H]2CCCN2Cc2cc(C)c(C(=O)[O-])o2)c1 ZINC000577736969 974841322 /nfs/dbraw/zinc/84/13/22/974841322.db2.gz DBDLDQJUNXCIRQ-INIZCTEOSA-N -1 1 315.369 3.632 20 0 DHADMM O=C([O-])c1cccc(CN2CCCC(F)(F)CC2)c1Cl ZINC000629368767 975086519 /nfs/dbraw/zinc/08/65/19/975086519.db2.gz UBCPQGXJGBVFMD-UHFFFAOYSA-N -1 1 303.736 3.659 20 0 DHADMM O=C([O-])[C@@H](c1ccsc1)N1CCc2c(Cl)cccc2C1 ZINC000652411074 975524951 /nfs/dbraw/zinc/52/49/51/975524951.db2.gz ZQHQTIBPWXTJTR-CQSZACIVSA-N -1 1 307.802 3.586 20 0 DHADMM CC12CC(C1)CN2[C@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000663315678 975942808 /nfs/dbraw/zinc/94/28/08/975942808.db2.gz LZFTTYFAYHSMLF-ZAQGZADTSA-N -1 1 300.185 3.603 20 0 DHADMM O=C([O-])c1ccc(CNCc2ccccc2C2CC2)nc1C1CC1 ZINC000669479766 976006335 /nfs/dbraw/zinc/00/63/35/976006335.db2.gz JKUABIREUURFQX-UHFFFAOYSA-N -1 1 322.408 3.824 20 0 DHADMM CC(C)c1[nH]c(CN2CC[C@@](C)(C(F)(F)F)C2)cc1C(=O)[O-] ZINC001591912542 976348173 /nfs/dbraw/zinc/34/81/73/976348173.db2.gz OUTAPAMYXUAOIT-CQSZACIVSA-N -1 1 318.339 3.611 20 0 DHADMM O=S(=O)(Cc1cc(Cl)ccc1Cl)c1ccc([O-])cc1 ZINC000078797312 1031045615 /nfs/dbraw/zinc/04/56/15/1031045615.db2.gz YQRJNLUMMAQMNN-UHFFFAOYSA-N -1 1 317.193 3.673 20 0 DHADMM CCN(C(=O)c1ccc(Br)cc1[O-])[C@H](C)C(C)C ZINC000576120238 1014407712 /nfs/dbraw/zinc/40/77/12/1014407712.db2.gz AFJHRDZDBLCCSF-SNVBAGLBSA-N -1 1 314.223 3.661 20 0 DHADMM O=C1N[C@H](c2ccc([O-])c(Cl)c2)Nc2cc(Cl)ccc21 ZINC000067438748 1014413790 /nfs/dbraw/zinc/41/37/90/1014413790.db2.gz FNEMKHBCHFKVGS-CYBMUJFWSA-N -1 1 309.152 3.553 20 0 DHADMM COc1ccc(C(=O)/C=C\c2ccc([O-])c(Cl)c2)cc1OC ZINC000207709879 1014476315 /nfs/dbraw/zinc/47/63/15/1014476315.db2.gz RBJFCSFONWEHLK-UTCJRWHESA-N -1 1 318.756 3.959 20 0 DHADMM [O-]c1cc(F)cc(F)c1Nc1ccc(Cl)c(CO)c1F ZINC001215607771 1014564195 /nfs/dbraw/zinc/56/41/95/1014564195.db2.gz FTUVPNIYNVHJGJ-UHFFFAOYSA-N -1 1 303.667 3.699 20 0 DHADMM CC[C@H](N[C@@H](C)c1cncc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC001595281375 980333515 /nfs/dbraw/zinc/33/35/15/980333515.db2.gz MZWRUSFJKNCHOW-QFYYESIMSA-N -1 1 320.339 3.860 20 0 DHADMM CC[C@@H](NCc1ccc(C(=O)[O-])c(C)c1)c1c(C)noc1C ZINC001595298972 980423198 /nfs/dbraw/zinc/42/31/98/980423198.db2.gz GATYVIXHJZGTQJ-OAHLLOKOSA-N -1 1 302.374 3.539 20 0 DHADMM CC[C@H](NCc1ccc(CC(=O)[O-])cc1)c1ccc(F)cc1F ZINC001595299932 980431956 /nfs/dbraw/zinc/43/19/56/980431956.db2.gz KEQZGJCUFTYCIJ-KRWDZBQOSA-N -1 1 319.351 3.833 20 0 DHADMM CCCc1ccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)cc1 ZINC000901831332 980550581 /nfs/dbraw/zinc/55/05/81/980550581.db2.gz ZHJFFGKUPXWAHA-UHFFFAOYSA-N -1 1 324.424 3.900 20 0 DHADMM C/C(=C\c1ccccc1)CN[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000901910160 980622738 /nfs/dbraw/zinc/62/27/38/980622738.db2.gz FIWVUVMPLUQXQF-JATZPVMKSA-N -1 1 302.399 3.595 20 0 DHADMM C[N@@H+](CCCCc1ccccc1)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC000902140517 980753641 /nfs/dbraw/zinc/75/36/41/980753641.db2.gz HCOSEUUEYKOORL-SEYXRHQNSA-N -1 1 313.397 3.832 20 0 DHADMM CC[C@@H](c1ccccc1OC)N(C)Cc1cc(C(=O)[O-])oc1C ZINC001595363863 980787693 /nfs/dbraw/zinc/78/76/93/980787693.db2.gz KUQRNRDKQREWMR-HNNXBMFYSA-N -1 1 317.385 3.878 20 0 DHADMM Cc1oc(CNC(C)(C)c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000902340248 980839882 /nfs/dbraw/zinc/83/98/82/980839882.db2.gz FCXZLUAEPSRLJC-UHFFFAOYSA-N -1 1 309.312 3.589 20 0 DHADMM Cc1cc(CN[C@@H]2CCCc3ccc(F)cc32)oc1C(=O)[O-] ZINC000902447144 980891963 /nfs/dbraw/zinc/89/19/63/980891963.db2.gz YOGIPSJGNZFDAR-OAHLLOKOSA-N -1 1 303.333 3.593 20 0 DHADMM Cc1oc(CNCc2cccc(OC(C)(C)C)c2)cc1C(=O)[O-] ZINC000902502122 980911730 /nfs/dbraw/zinc/91/17/30/980911730.db2.gz NSINEHZDNFJGSH-UHFFFAOYSA-N -1 1 317.385 3.753 20 0 DHADMM Cc1cccc(C2=CCN(Cc3ccc(C(=O)[O-])o3)CC2)c1C ZINC000903963351 981078997 /nfs/dbraw/zinc/07/89/97/981078997.db2.gz XQZSCKLTGPWYIU-UHFFFAOYSA-N -1 1 311.381 3.884 20 0 DHADMM O=C(Nc1ccc2c(c1)OCO2)c1cc2ccccc2cc1[O-] ZINC000028646135 1014862974 /nfs/dbraw/zinc/86/29/74/1014862974.db2.gz FNPMPDXZUCRYSZ-UHFFFAOYSA-N -1 1 307.305 3.526 20 0 DHADMM COc1cc(C(=O)NC[C@H]2CCC[C@H](C)C2)cc(Cl)c1[O-] ZINC000443348964 1014880622 /nfs/dbraw/zinc/88/06/22/1014880622.db2.gz WPEHFFCRGHDVTB-QWRGUYRKSA-N -1 1 311.809 3.610 20 0 DHADMM Cc1nc(CN2CCC(CCC(=O)[O-])CC2)sc1C(C)(C)C ZINC000923254542 982853348 /nfs/dbraw/zinc/85/33/48/982853348.db2.gz BCAZPYQZGMGKOT-UHFFFAOYSA-N -1 1 324.490 3.826 20 0 DHADMM O=C([O-])c1cccc(/C=C/C(=O)c2ccccc2O)c1Cl ZINC000188800590 1015036260 /nfs/dbraw/zinc/03/62/60/1015036260.db2.gz VEQMANIYZBCELY-CMDGGOBGSA-N -1 1 302.713 3.640 20 0 DHADMM C[C@H](N[C@H](C(=O)[O-])c1ccccc1Cl)c1cccc(O)c1 ZINC001599901154 984829433 /nfs/dbraw/zinc/82/94/33/984829433.db2.gz UVYHZBXSSQKAEI-BONVTDFDSA-N -1 1 305.761 3.522 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCc2sccc2C1 ZINC000012216084 1015199463 /nfs/dbraw/zinc/19/94/63/1015199463.db2.gz QTUZXDSMQFXRSZ-UHFFFAOYSA-N -1 1 309.390 3.805 20 0 DHADMM CCS[C@@H]1CCCCN([C@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001597258918 987274644 /nfs/dbraw/zinc/27/46/44/987274644.db2.gz ZFKNMGZOAYOIGR-GHMZBOCLSA-N -1 1 314.476 3.510 20 0 DHADMM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)C(C)(C)c1ccccc1 ZINC000280863546 1015332826 /nfs/dbraw/zinc/33/28/26/1015332826.db2.gz DPCBVXXQXIZBJC-LLVKDONJSA-N -1 1 319.351 3.767 20 0 DHADMM CCc1onc(-c2ccccc2Cl)c1C(=O)[N-]c1cnoc1 ZINC000684423326 1015337297 /nfs/dbraw/zinc/33/72/97/1015337297.db2.gz CWZHQILFEFWSLO-UHFFFAOYSA-N -1 1 317.732 3.798 20 0 DHADMM CC(C)(C)[C@@H](Sc1nc(C=Cc2ccccc2)n[nH]1)C(=O)[O-] ZINC001589722415 987890059 /nfs/dbraw/zinc/89/00/59/987890059.db2.gz GBDNPLSSLBNLCD-LXKVQUBZSA-N -1 1 317.414 3.567 20 0 DHADMM c1nn(C2CCCC2)cc1[N-]c1nnc(-c2ccccn2)s1 ZINC000895889555 1015347948 /nfs/dbraw/zinc/34/79/48/1015347948.db2.gz XGHOFACNZKXEFQ-UHFFFAOYSA-N -1 1 312.402 3.655 20 0 DHADMM CCc1ccc(C)nc1NCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001597514923 988125055 /nfs/dbraw/zinc/12/50/55/988125055.db2.gz YYFCQHKFXLACCD-UHFFFAOYSA-N -1 1 304.777 3.916 20 0 DHADMM CCc1ccc(C2=CCN(Cc3cncc(C(=O)[O-])c3)CC2)cc1 ZINC001597518639 988139456 /nfs/dbraw/zinc/13/94/56/988139456.db2.gz XFQWZLXOBYVAIN-UHFFFAOYSA-N -1 1 322.408 3.632 20 0 DHADMM CSc1cccc(F)c1CNCc1ccsc1C(=O)[O-] ZINC001599822812 988544354 /nfs/dbraw/zinc/54/43/54/988544354.db2.gz XELZONYRNFGZOS-UHFFFAOYSA-N -1 1 311.403 3.597 20 0 DHADMM CSc1ccccc1CN(C)[C@@H](C)c1ccc(C(=O)[O-])o1 ZINC001599824083 988566322 /nfs/dbraw/zinc/56/63/22/988566322.db2.gz QDHCLJFSYYYWIV-NSHDSACASA-N -1 1 305.399 3.893 20 0 DHADMM Cc1nc(-c2ccc(NCCC3CC=CC3)nc2)[n-]c(=O)c1C ZINC000896096099 1015452844 /nfs/dbraw/zinc/45/28/44/1015452844.db2.gz VELYARQSRREPCR-UHFFFAOYSA-N -1 1 310.401 3.629 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN[C@]1(c2ccccc2)CC1(C)C ZINC001597767205 989218567 /nfs/dbraw/zinc/21/85/67/989218567.db2.gz HPZPKGJINJVTTF-IBGZPJMESA-N -1 1 313.397 3.955 20 0 DHADMM CC(C)(Cc1nc(-c2ccc([O-])c(F)c2)no1)CC(F)F ZINC000896221394 1015502939 /nfs/dbraw/zinc/50/29/39/1015502939.db2.gz GOMHLZIDOUWEAH-UHFFFAOYSA-N -1 1 300.280 3.805 20 0 DHADMM O=C(NCc1ccc([O-])c(Cl)c1)N1CC[C@H]1C1CCCC1 ZINC000896312002 1015545667 /nfs/dbraw/zinc/54/56/67/1015545667.db2.gz XRWFSRYDHUFRIH-AWEZNQCLSA-N -1 1 308.809 3.520 20 0 DHADMM Oc1cccc(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)c1Cl ZINC000896529191 1015612988 /nfs/dbraw/zinc/61/29/88/1015612988.db2.gz YWZNMCUSZDVVQU-LBPRGKRZSA-N -1 1 322.861 3.957 20 0 DHADMM CCCc1cc(C(=O)[N-]c2nnc(C(CC)CC)s2)no1 ZINC000294703074 1032121190 /nfs/dbraw/zinc/12/11/90/1032121190.db2.gz ZESHDRQSHUNGQT-UHFFFAOYSA-N -1 1 308.407 3.635 20 0 DHADMM Cc1cnc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c([O-])c1 ZINC000329316993 1015682849 /nfs/dbraw/zinc/68/28/49/1015682849.db2.gz QRAMLYNWJVJDFB-GVDBMIGSSA-N -1 1 322.408 3.504 20 0 DHADMM COc1cc(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)cc(Cl)c1[O-] ZINC000153890520 1015693442 /nfs/dbraw/zinc/69/34/42/1015693442.db2.gz RQIJYZUREQEIDE-TZMCWYRMSA-N -1 1 323.820 3.753 20 0 DHADMM C[N@@H+](CCc1ccccc1F)Cc1cc(C(=O)[O-])ccc1Cl ZINC001598501713 992442868 /nfs/dbraw/zinc/44/28/68/992442868.db2.gz BIVULFLQKITPDC-UHFFFAOYSA-N -1 1 321.779 3.852 20 0 DHADMM CN(CCc1ccccc1F)Cc1cc(C(=O)[O-])ccc1Cl ZINC001598501713 992442873 /nfs/dbraw/zinc/44/28/73/992442873.db2.gz BIVULFLQKITPDC-UHFFFAOYSA-N -1 1 321.779 3.852 20 0 DHADMM CN(Cc1ccsc1C(=O)[O-])Cc1ccc(F)c(Cl)c1 ZINC001598517615 992636964 /nfs/dbraw/zinc/63/69/64/992636964.db2.gz PARRVGYDTKBKJI-UHFFFAOYSA-N -1 1 313.781 3.871 20 0 DHADMM CN(Cc1ccc2cc[nH]c2c1)Cc1ccc(C(=O)[O-])cc1F ZINC001598524550 992702784 /nfs/dbraw/zinc/70/27/84/992702784.db2.gz IDFKWPZMAVKYCE-UHFFFAOYSA-N -1 1 312.344 3.637 20 0 DHADMM CN(Cc1[nH]cc(C(=O)[O-])c1C1CC1)Cc1cccc(Cl)c1 ZINC001598526110 992723256 /nfs/dbraw/zinc/72/32/56/992723256.db2.gz LCIJBPGOLINJBK-UHFFFAOYSA-N -1 1 318.804 3.876 20 0 DHADMM O=C([N-]c1c(F)cc(F)cc1F)c1ccoc1Br ZINC000236152455 1015762050 /nfs/dbraw/zinc/76/20/50/1015762050.db2.gz DNLRZOOFPULPSC-UHFFFAOYSA-N -1 1 320.064 3.712 20 0 DHADMM Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)[N-]OCc1ccccn1 ZINC000909539620 1015783568 /nfs/dbraw/zinc/78/35/68/1015783568.db2.gz GGMSSYKZGRLKTD-HUUCEWRRSA-N -1 1 310.397 3.619 20 0 DHADMM Cc1cc(C)cc(C[C@H](C)NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000280975837 1015816395 /nfs/dbraw/zinc/81/63/95/1015816395.db2.gz OWOZJTGGXIPDIF-LBPRGKRZSA-N -1 1 319.351 3.648 20 0 DHADMM C[C@H](N[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl)c1ccc[nH]1 ZINC001593195626 994148976 /nfs/dbraw/zinc/14/89/76/994148976.db2.gz SAEALCMTMADMED-ISVAXAHUSA-N -1 1 313.184 3.798 20 0 DHADMM C[C@H](N[C@@H](CCC(=O)[O-])c1ccccc1)c1cccc(O)c1F ZINC001593205194 994210856 /nfs/dbraw/zinc/21/08/56/994210856.db2.gz YQMGMGZYYKTGCO-WFASDCNBSA-N -1 1 317.360 3.788 20 0 DHADMM C[C@H](N[C@@H]1CCSc2ccccc21)c1cc(C(=O)[O-])co1 ZINC001593231306 994372690 /nfs/dbraw/zinc/37/26/90/994372690.db2.gz JEKARSAJEHRXSM-GXFFZTMASA-N -1 1 303.383 3.866 20 0 DHADMM C[C@H](NCc1ccc(C(=O)[O-])cc1F)c1nccc2ccccc21 ZINC001593295803 994692562 /nfs/dbraw/zinc/69/25/62/994692562.db2.gz HOJAYUQURSLILV-LBPRGKRZSA-N -1 1 324.355 3.923 20 0 DHADMM C[C@H](NCc1cncc(C(=O)[O-])c1)c1ccccc1C(F)(F)F ZINC001593310847 994775283 /nfs/dbraw/zinc/77/52/83/994775283.db2.gz MIXUMMMYQYGGAW-JTQLQIEISA-N -1 1 324.302 3.649 20 0 DHADMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)C1CC1 ZINC000657176154 1015944699 /nfs/dbraw/zinc/94/46/99/1015944699.db2.gz KHJSKYVAPZCKIR-ZETCQYMHSA-N -1 1 314.259 3.522 20 0 DHADMM C[C@@H](Oc1ccccc1CN(C)[C@H](C)c1cccs1)C(=O)[O-] ZINC001593644267 995958542 /nfs/dbraw/zinc/95/85/42/995958542.db2.gz GWPJYHFXGOGMBV-CHWSQXEVSA-N -1 1 319.426 3.793 20 0 DHADMM C[C@H](c1nc(C(=O)[O-])co1)N1CC[C@@H](C)C2(CCCCC2)C1 ZINC001593724773 996269345 /nfs/dbraw/zinc/26/93/45/996269345.db2.gz IXKIZEUAZNJPBA-CHWSQXEVSA-N -1 1 306.406 3.726 20 0 DHADMM Cc1cc(C(C)(C)C(=O)[O-])ccc1-c1cc(C(F)(F)F)n[nH]1 ZINC000657203388 1016031700 /nfs/dbraw/zinc/03/17/00/1016031700.db2.gz UODSVWOSPFILHO-UHFFFAOYSA-N -1 1 312.291 3.766 20 0 DHADMM COc1ccc(C(=O)[O-])cc1CN[C@H](C)c1cc(C)sc1C ZINC001599500193 997103218 /nfs/dbraw/zinc/10/32/18/997103218.db2.gz GKZOSIMGZIBEIN-LLVKDONJSA-N -1 1 319.426 3.923 20 0 DHADMM CC[C@H](OCCSc1ncc(C)c(=O)[n-]1)c1ccccc1 ZINC000657261842 1016128659 /nfs/dbraw/zinc/12/86/59/1016128659.db2.gz IAGXMTGJDTUMGY-AWEZNQCLSA-N -1 1 304.415 3.751 20 0 DHADMM CCC(CC)[C@H](C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000342244403 1016175169 /nfs/dbraw/zinc/17/51/69/1016175169.db2.gz DNIGJVYCMDYZCX-NSHDSACASA-N -1 1 301.390 3.793 20 0 DHADMM C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1csc(C(=O)[O-])c1 ZINC001594298891 999152358 /nfs/dbraw/zinc/15/23/58/999152358.db2.gz MYPGWPWFOVAKEF-WCBMZHEXSA-N -1 1 307.337 3.609 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@H](CC(F)(F)F)C1 ZINC000277465736 1016347013 /nfs/dbraw/zinc/34/70/13/1016347013.db2.gz PMYHFJAAGIUYLK-NSHDSACASA-N -1 1 323.314 3.960 20 0 DHADMM CC[C@@H](CC(F)F)C(=O)Nc1cccc([O-])c1Br ZINC000908706357 1036485276 /nfs/dbraw/zinc/48/52/76/1036485276.db2.gz ACMRFWGLZLSNSC-ZETCQYMHSA-N -1 1 322.149 3.775 20 0 DHADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC001167558833 1016536960 /nfs/dbraw/zinc/53/69/60/1016536960.db2.gz MHJFRFCCGMIWHO-ZFWWWQNUSA-N -1 1 307.821 3.769 20 0 DHADMM CSc1cccnc1[N-]C(=O)c1oc(CC(C)C)nc1C ZINC000652878197 1016671597 /nfs/dbraw/zinc/67/15/97/1016671597.db2.gz VRMQDAWMFPYWDJ-UHFFFAOYSA-N -1 1 305.403 3.551 20 0 DHADMM Cc1ccc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)c(O)c1 ZINC000684869999 1016746050 /nfs/dbraw/zinc/74/60/50/1016746050.db2.gz FNPJAMMNOKRVFV-UHFFFAOYSA-N -1 1 311.259 3.677 20 0 DHADMM Cc1cccc(CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)c1 ZINC000684870581 1016751745 /nfs/dbraw/zinc/75/17/45/1016751745.db2.gz JVCFFGMCZBHWJO-UHFFFAOYSA-N -1 1 309.287 3.649 20 0 DHADMM O=C(N[C@@H]1CCCC(F)(F)C1)c1ccc2ccc(O)cc2c1[O-] ZINC000897053202 1017017013 /nfs/dbraw/zinc/01/70/13/1017017013.db2.gz CDKJKKFHRNKFKU-LLVKDONJSA-N -1 1 321.323 3.559 20 0 DHADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCC(C2CCC2)CC1 ZINC001146445399 1032222336 /nfs/dbraw/zinc/22/23/36/1032222336.db2.gz IDLHBBWLTOBGEA-UHFFFAOYSA-N -1 1 307.821 3.627 20 0 DHADMM COc1cccc2c(C(=O)Nc3c([O-])cccc3F)coc21 ZINC001146491911 1032226714 /nfs/dbraw/zinc/22/67/14/1032226714.db2.gz GDHXKRXBPCIDTH-UHFFFAOYSA-N -1 1 301.273 3.538 20 0 DHADMM Cc1cccc([C@H]2CCCCCN2C(=O)c2ccc([O-])cn2)c1 ZINC001147372335 1032302522 /nfs/dbraw/zinc/30/25/22/1032302522.db2.gz FMBHRTGUYTWBOD-GOSISDBHSA-N -1 1 310.397 3.853 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc3ncccc23)cc1C ZINC000119543275 1032306269 /nfs/dbraw/zinc/30/62/69/1032306269.db2.gz WSAHBBYAISRECU-UHFFFAOYSA-N -1 1 312.394 3.652 20 0 DHADMM Cc1cc(NC(=O)c2cc(F)ccc2[O-])ccc1Br ZINC000128583018 1032383515 /nfs/dbraw/zinc/38/35/15/1032383515.db2.gz SEUJJMGGEMNSCX-UHFFFAOYSA-N -1 1 324.149 3.855 20 0 DHADMM C[C@@H]1c2ccccc2CN1C(=O)Cc1ccc([O-])c(Cl)c1 ZINC001148789664 1032440980 /nfs/dbraw/zinc/44/09/80/1032440980.db2.gz CEXMMVHQKHNEAC-LLVKDONJSA-N -1 1 301.773 3.692 20 0 DHADMM Cc1c[nH]c(=O)cc1NC(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148860962 1032449226 /nfs/dbraw/zinc/44/92/26/1032449226.db2.gz DSKJPLBLBNPULO-UHFFFAOYSA-N -1 1 320.348 3.721 20 0 DHADMM Cc1ncc(NC(=O)c2cccc(-c3ccccc3)c2[O-])nc1C ZINC001148860950 1032449283 /nfs/dbraw/zinc/44/92/83/1032449283.db2.gz DDIOILZKVMBAOR-UHFFFAOYSA-N -1 1 319.364 3.718 20 0 DHADMM COc1ccnc(NC(=O)c2cccc(-c3ccccc3)c2[O-])c1 ZINC001148861329 1032449413 /nfs/dbraw/zinc/44/94/13/1032449413.db2.gz PKORHXLWSNJFIB-UHFFFAOYSA-N -1 1 320.348 3.715 20 0 DHADMM CN(C)c1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001148800539 1032445916 /nfs/dbraw/zinc/44/59/16/1032445916.db2.gz GGANNIQXTARUOX-UHFFFAOYSA-N -1 1 324.302 3.729 20 0 DHADMM O=C(Nc1cccnc1F)c1cccc(-c2ccccc2)c1[O-] ZINC001148860977 1032449750 /nfs/dbraw/zinc/44/97/50/1032449750.db2.gz FIMWPMMIDDSESB-UHFFFAOYSA-N -1 1 308.312 3.846 20 0 DHADMM Cc1cc(O)cnc1NC(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148861069 1032449899 /nfs/dbraw/zinc/44/98/99/1032449899.db2.gz JMHXQOXWNHVSTB-UHFFFAOYSA-N -1 1 320.348 3.721 20 0 DHADMM O=C(Cc1ccc([O-])c(Cl)c1)N(CCC1CC1)CC1CC1 ZINC000633651473 1032595410 /nfs/dbraw/zinc/59/54/10/1032595410.db2.gz BKTOLLAAIAEZNO-UHFFFAOYSA-N -1 1 307.821 3.627 20 0 DHADMM CC1(C)C[C@H](c2ccccc2)N(C(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000425118589 1012297427 /nfs/dbraw/zinc/29/74/27/1012297427.db2.gz LSLVEHRCYGPKBE-QGZVFWFLSA-N -1 1 323.392 3.575 20 0 DHADMM COc1ccc(-c2nc(-c3ccccc3Cl)no2)c([O-])c1 ZINC000109037547 1012405173 /nfs/dbraw/zinc/40/51/73/1012405173.db2.gz KTHACMOGXVJRJT-UHFFFAOYSA-N -1 1 302.717 3.771 20 0 DHADMM Cc1cccc(C)c1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000157560152 1012476636 /nfs/dbraw/zinc/47/66/36/1012476636.db2.gz LLLNJANTBNYENO-UHFFFAOYSA-N -1 1 315.316 3.522 20 0 DHADMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c(C)n1 ZINC000515217283 1012582798 /nfs/dbraw/zinc/58/27/98/1012582798.db2.gz WLWWSKQBUHGCGN-UHFFFAOYSA-N -1 1 316.426 3.685 20 0 DHADMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(F)c2F)c1 ZINC000124222114 1012658401 /nfs/dbraw/zinc/65/84/01/1012658401.db2.gz GESFBNONIWXNPX-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM CC(C)c1noc([N-][C@H](CO)c2cccc(Cl)c2Cl)n1 ZINC000664565031 1012749407 /nfs/dbraw/zinc/74/94/07/1012749407.db2.gz KPSGLDVXJUFAOB-SNVBAGLBSA-N -1 1 316.188 3.645 20 0 DHADMM O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)c1cncc([O-])c1 ZINC000339847330 1012929539 /nfs/dbraw/zinc/92/95/39/1012929539.db2.gz OWTKQRYOCOMQNO-QGZVFWFLSA-N -1 1 314.360 3.588 20 0 DHADMM O=C(Nc1nc(-c2ccco2)n[nH]1)c1cc(F)c2ccccc2c1 ZINC000339862416 1012968646 /nfs/dbraw/zinc/96/86/46/1012968646.db2.gz VTVYJCIROUOYPR-UHFFFAOYSA-N -1 1 322.299 3.609 20 0 DHADMM COc1ccc(C(=O)Nc2cccc(CSC)c2)c([O-])c1 ZINC000517622567 1013028007 /nfs/dbraw/zinc/02/80/07/1013028007.db2.gz JDVAWCVAIDYKSC-UHFFFAOYSA-N -1 1 303.383 3.516 20 0 DHADMM [O-]c1ccc(-c2nc([C@@H]3CCOC4(CCCC4)C3)no2)c(F)c1 ZINC000897186551 1017133646 /nfs/dbraw/zinc/13/36/46/1017133646.db2.gz BXTZREQQSIGNKV-LLVKDONJSA-N -1 1 318.348 3.788 20 0 DHADMM CC(C)c1ccc2nc(-c3ccc4nccnc4c3)[n-]c(=O)c2c1 ZINC000117991065 1017286841 /nfs/dbraw/zinc/28/68/41/1017286841.db2.gz DYZVVKQBBXTTJL-UHFFFAOYSA-N -1 1 316.364 3.657 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000456787613 1017427607 /nfs/dbraw/zinc/42/76/07/1017427607.db2.gz QQPKKPVPXRGMIV-RQJHMYQMSA-N -1 1 309.234 3.588 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000456787610 1017428280 /nfs/dbraw/zinc/42/82/80/1017428280.db2.gz QQPKKPVPXRGMIV-BQBZGAKWSA-N -1 1 309.234 3.588 20 0 DHADMM O=c1ccn(-c2ccc(NCc3csc(C4CC4)n3)cc2)[n-]1 ZINC000623777063 1017461306 /nfs/dbraw/zinc/46/13/06/1017461306.db2.gz MYHXBZVJYOLHRL-UHFFFAOYSA-N -1 1 312.398 3.524 20 0 DHADMM Cc1cc(C(=O)[N-]c2nc(C(C)C)ns2)c(C(F)(F)F)o1 ZINC000874694379 1032707958 /nfs/dbraw/zinc/70/79/58/1032707958.db2.gz OPAPLEQDGPXBEI-UHFFFAOYSA-N -1 1 319.308 3.834 20 0 DHADMM COc1ccc(Cc2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445449081 1017856319 /nfs/dbraw/zinc/85/63/19/1017856319.db2.gz SZQBCARLLZTTGX-UHFFFAOYSA-N -1 1 316.744 3.695 20 0 DHADMM CC(=O)c1cccc(-c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445444865 1017862906 /nfs/dbraw/zinc/86/29/06/1017862906.db2.gz HIAYEJXSJKIBOP-UHFFFAOYSA-N -1 1 314.728 3.965 20 0 DHADMM CC(C)c1cc(-c2nc(-c3ccc([O-])cc3Cl)no2)n(C)n1 ZINC000445446408 1017864543 /nfs/dbraw/zinc/86/45/43/1017864543.db2.gz DLCKGWWMRDUWQI-UHFFFAOYSA-N -1 1 318.764 3.620 20 0 DHADMM [O-]c1ccc(-c2noc(-c3ccnc4ccccc43)n2)c(F)c1 ZINC000445465402 1017866009 /nfs/dbraw/zinc/86/60/09/1017866009.db2.gz YGZDZYRYOBXZEX-UHFFFAOYSA-N -1 1 307.284 3.797 20 0 DHADMM [O-]c1ccc(-c2noc(CCc3ccc(F)cc3)n2)cc1F ZINC000445478597 1017874369 /nfs/dbraw/zinc/87/43/69/1017874369.db2.gz DDOVFXVZBJUHGY-UHFFFAOYSA-N -1 1 302.280 3.506 20 0 DHADMM [O-]c1ccc(-c2noc(/C=C/c3cccc(F)c3)n2)cc1F ZINC000445477685 1017875179 /nfs/dbraw/zinc/87/51/79/1017875179.db2.gz OULRFRNMOYSFMV-QPJJXVBHSA-N -1 1 300.264 3.891 20 0 DHADMM C[C@H](COc1ccccc1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445480857 1017877103 /nfs/dbraw/zinc/87/71/03/1017877103.db2.gz LDDGESJOEAEDNJ-LLVKDONJSA-N -1 1 314.316 3.764 20 0 DHADMM O=S(=O)([N-]c1ccccc1Oc1cccc(F)c1)C1CC1 ZINC000171338132 1017925920 /nfs/dbraw/zinc/92/59/20/1017925920.db2.gz ZJMMJUNNBYSMOR-UHFFFAOYSA-N -1 1 307.346 3.522 20 0 DHADMM CC(C)[C@@H]1C[C@@H](Cc2nc(-c3ccc([O-])c(F)c3)no2)CCO1 ZINC000278126795 1018175759 /nfs/dbraw/zinc/17/57/59/1018175759.db2.gz JWORPDFJXYLEIR-NHYWBVRUSA-N -1 1 320.364 3.575 20 0 DHADMM CCOC(=O)Cc1cccc(Nc2cc(F)c([O-])cc2F)c1 ZINC001212526926 1018222528 /nfs/dbraw/zinc/22/25/28/1018222528.db2.gz CKSMGSBLOWJDFM-UHFFFAOYSA-N -1 1 307.296 3.520 20 0 DHADMM C[C@](Cc1ccccc1)(NC(=O)c1ccc([O-])c(F)c1)C1CC1 ZINC000654500683 1018262963 /nfs/dbraw/zinc/26/29/63/1018262963.db2.gz WXEMXRQDMFUCRB-LJQANCHMSA-N -1 1 313.372 3.673 20 0 DHADMM Cc1ccccc1C[C@H](C)N(C)C(=O)c1ccc([O-])cc1F ZINC000446981471 1018307420 /nfs/dbraw/zinc/30/74/20/1018307420.db2.gz PJPAPWTWEXUZLL-ZDUSSCGKSA-N -1 1 301.361 3.543 20 0 DHADMM C[C@H]1CCN(Cc2c(Cl)cc(O)cc2Cl)CC[C@]1(C)O ZINC001142105767 1018313206 /nfs/dbraw/zinc/31/32/06/1018313206.db2.gz MOHBHQORCIUIQP-BONVTDFDSA-N -1 1 318.244 3.682 20 0 DHADMM O=C([N-]Oc1ccccc1F)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000874912847 1032759080 /nfs/dbraw/zinc/75/90/80/1032759080.db2.gz UAXVCAQRSKPDSO-NXEZZACHSA-N -1 1 305.271 3.604 20 0 DHADMM CCOc1c(F)cccc1Nc1cc2ccc([O-])cc2oc1=O ZINC001212535413 1018367174 /nfs/dbraw/zinc/36/71/74/1018367174.db2.gz VFNVEJZUXGULJJ-UHFFFAOYSA-N -1 1 315.300 3.780 20 0 DHADMM O=C1[N-]C(=O)C(=Cc2cc(C(F)(F)F)ccc2Cl)S1 ZINC000874928224 1032763094 /nfs/dbraw/zinc/76/30/94/1032763094.db2.gz MMEFJJCBSKSTRV-XBXARRHUSA-N -1 1 307.680 3.683 20 0 DHADMM CCCCCOc1cc(C=C2SC(=O)[N-]C2=O)ccc1OC ZINC000874928312 1032763661 /nfs/dbraw/zinc/76/36/61/1032763661.db2.gz RBRAHYDCHNMWEK-UVTDQMKNSA-N -1 1 321.398 3.588 20 0 DHADMM [O-]c1c(Cl)cc(Cl)cc1Nc1cnn([C@@H]2CCOC2)c1 ZINC001205197788 1018466816 /nfs/dbraw/zinc/46/68/16/1018466816.db2.gz ABRXJAURRCNPLO-SNVBAGLBSA-N -1 1 314.172 3.601 20 0 DHADMM CC(C)[C@@H]1C[C@H](Cc2nc(-c3ccc([O-])cc3F)no2)CCO1 ZINC000278304473 1018544250 /nfs/dbraw/zinc/54/42/50/1018544250.db2.gz XUUGVHPZWXXFGT-ABAIWWIYSA-N -1 1 320.364 3.575 20 0 DHADMM CC(=O)[C@H](C)CCCCc1nc(-c2ccc([O-])cc2F)no1 ZINC000278334337 1018578774 /nfs/dbraw/zinc/57/87/74/1018578774.db2.gz ZWOJBSYWQPIYTR-SNVBAGLBSA-N -1 1 306.337 3.519 20 0 DHADMM CC(C)C[C@H](C(=O)[O-])N(C)Cc1c(Cl)cccc1Cl ZINC000565720513 1032782173 /nfs/dbraw/zinc/78/21/73/1032782173.db2.gz HKPZHJRRKMFZCU-CYBMUJFWSA-N -1 1 304.217 3.925 20 0 DHADMM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1cc(F)ccc1[O-] ZINC000385796280 1018790218 /nfs/dbraw/zinc/79/02/18/1018790218.db2.gz QTSGSIFQRMJMOP-CYBMUJFWSA-N -1 1 313.372 3.972 20 0 DHADMM O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1cccc(Cl)c1 ZINC000130439754 1032792681 /nfs/dbraw/zinc/79/26/81/1032792681.db2.gz GCJYPQLIZGIFQZ-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM C[N@@H+](CCCCc1ccccc1)Cc1ccc(C(=O)[O-])cc1F ZINC000565101266 1018906723 /nfs/dbraw/zinc/90/67/23/1018906723.db2.gz DBHSFZFJFOBGBA-UHFFFAOYSA-N -1 1 315.388 3.979 20 0 DHADMM C[C@@]1(CN=c2nc(C(F)(F)F)[n-]s2)C[C@@H]1c1ccccc1 ZINC000338737619 1018924581 /nfs/dbraw/zinc/92/45/81/1018924581.db2.gz FDMVSXNKIOPNCH-MFKMUULPSA-N -1 1 313.348 3.585 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])c1ccccc1Oc1cccnc1 ZINC001171632565 1032796339 /nfs/dbraw/zinc/79/63/39/1032796339.db2.gz GAZDXIJNPCFYKL-UHFFFAOYSA-N -1 1 324.311 3.971 20 0 DHADMM CCCCOc1ccc(C(=O)Nc2cccc(F)c2[O-])cc1 ZINC001171632935 1032799767 /nfs/dbraw/zinc/79/97/67/1032799767.db2.gz XTDIVINHKJQHLG-UHFFFAOYSA-N -1 1 303.333 3.963 20 0 DHADMM O=C(CCc1cncc2ccccc21)Nc1c([O-])cccc1F ZINC000765610975 1019001663 /nfs/dbraw/zinc/00/16/63/1019001663.db2.gz WFLLPTKBKMEIFE-UHFFFAOYSA-N -1 1 310.328 3.651 20 0 DHADMM COc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000111666453 1019046603 /nfs/dbraw/zinc/04/66/03/1019046603.db2.gz UBNNLELUURWKMY-ZIAGYGMSSA-N -1 1 317.772 3.796 20 0 DHADMM CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc([O-])cc1F ZINC000387202777 1019059016 /nfs/dbraw/zinc/05/90/16/1019059016.db2.gz CRSMFLXMXVNVLB-ZDUSSCGKSA-N -1 1 301.361 3.972 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)cc1 ZINC000063849406 1019084833 /nfs/dbraw/zinc/08/48/33/1019084833.db2.gz FTSRQZYCAWMWOM-UHFFFAOYSA-N -1 1 319.426 3.721 20 0 DHADMM Cc1c(=O)[n-]c(SCC(=O)CC2CC2)nc1-c1ccccc1 ZINC000278725295 1019095203 /nfs/dbraw/zinc/09/52/03/1019095203.db2.gz MNFABQLNAOIIKO-UHFFFAOYSA-N -1 1 314.410 3.619 20 0 DHADMM O=C(Nc1csc(-c2ccccc2)n1)c1ccc([O-])cc1F ZINC000672332598 1019146952 /nfs/dbraw/zinc/14/69/52/1019146952.db2.gz YGEFABQRSJELOQ-UHFFFAOYSA-N -1 1 314.341 3.907 20 0 DHADMM COC(=O)Cc1ccccc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214486587 1019159032 /nfs/dbraw/zinc/15/90/32/1019159032.db2.gz OGFUGBJSKOFZJQ-UHFFFAOYSA-N -1 1 309.724 3.644 20 0 DHADMM Nc1cccc(S(=O)(=O)[N-]c2ccc(C3CCCC3)cc2)c1 ZINC001212457611 1019236773 /nfs/dbraw/zinc/23/67/73/1019236773.db2.gz LEVSZCVGNHWUFH-UHFFFAOYSA-N -1 1 316.426 3.727 20 0 DHADMM [O-]c1cccnc1-c1nc(-c2cccc(-c3ccncc3)c2)no1 ZINC001212480806 1019417674 /nfs/dbraw/zinc/41/76/74/1019417674.db2.gz JWFCPLMLJBOHJL-UHFFFAOYSA-N -1 1 316.320 3.566 20 0 DHADMM [O-]c1cccnc1-c1nc(-c2cccc(Cl)c2Cl)no1 ZINC001212480822 1019418878 /nfs/dbraw/zinc/41/88/78/1019418878.db2.gz KTHJOVGFWYLYCG-UHFFFAOYSA-N -1 1 308.124 3.811 20 0 DHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000107033210 1019628232 /nfs/dbraw/zinc/62/82/32/1019628232.db2.gz DHDSOJKWPLEJPQ-UHFFFAOYSA-N -1 1 323.389 3.722 20 0 DHADMM CC(C)[C@H](CNC(=O)c1ccc([O-])c(F)c1)Cc1ccccc1 ZINC000682571985 1019652012 /nfs/dbraw/zinc/65/20/12/1019652012.db2.gz WIAGOPAIGXSVPZ-INIZCTEOSA-N -1 1 315.388 3.776 20 0 DHADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(O)c2)cc1 ZINC000145117526 1019677450 /nfs/dbraw/zinc/67/74/50/1019677450.db2.gz LJKQMGBWEVVING-UHFFFAOYSA-N -1 1 319.426 3.881 20 0 DHADMM COc1cccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)c1 ZINC000727354179 1019697828 /nfs/dbraw/zinc/69/78/28/1019697828.db2.gz LQOPRMSGXSSFGH-UHFFFAOYSA-N -1 1 313.378 3.649 20 0 DHADMM Cc1cccc(N(C)C(=O)c2cc(Br)ccc2[O-])c1 ZINC000171296539 1019730061 /nfs/dbraw/zinc/73/00/61/1019730061.db2.gz CTJLZMMRPJSKEZ-UHFFFAOYSA-N -1 1 320.186 3.740 20 0 DHADMM O=c1nc(N2CCC(CCc3ccccc3)CC2)cc(Cl)[n-]1 ZINC000858332646 1032850246 /nfs/dbraw/zinc/85/02/46/1032850246.db2.gz YVIATQZVKOXJCF-UHFFFAOYSA-N -1 1 317.820 3.685 20 0 DHADMM CC[C@H](Cc1ccccc1)NC(=O)c1c([O-])cccc1Cl ZINC000727860979 1019829986 /nfs/dbraw/zinc/82/99/86/1019829986.db2.gz LOSNTJMDKAMCCE-CYBMUJFWSA-N -1 1 303.789 3.797 20 0 DHADMM CC(C)C[C@@H](C)CC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000727881664 1019835842 /nfs/dbraw/zinc/83/58/42/1019835842.db2.gz LSHITOFUXZUSLN-GFCCVEGCSA-N -1 1 318.369 3.614 20 0 DHADMM CC(C)Cn1ncc(NC(=O)c2ccc([O-])c(F)c2)c1C1CC1 ZINC000673382508 1019844979 /nfs/dbraw/zinc/84/49/79/1019844979.db2.gz WRTCBDZXJZOJEE-UHFFFAOYSA-N -1 1 317.364 3.514 20 0 DHADMM c1csc(-c2c[nH]c(C[N-]c3nc(-c4ccccc4)no3)n2)c1 ZINC000673452993 1019959158 /nfs/dbraw/zinc/95/91/58/1019959158.db2.gz WANHYPFATLSAOM-UHFFFAOYSA-N -1 1 323.381 3.800 20 0 DHADMM O=c1cc(C(F)F)nc(SCc2cnc3ccccc3c2)[n-]1 ZINC000685575209 1019960780 /nfs/dbraw/zinc/96/07/80/1019960780.db2.gz HXKRZORXHJFFKL-UHFFFAOYSA-N -1 1 319.336 3.960 20 0 DHADMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(C2=CCCC2)cc1 ZINC000685590346 1019965160 /nfs/dbraw/zinc/96/51/60/1019965160.db2.gz GUSKEPGLRQDUGP-UHFFFAOYSA-N -1 1 322.290 3.643 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N=NC3)cc1 ZINC000039726902 1020017306 /nfs/dbraw/zinc/01/73/06/1020017306.db2.gz IKHDGUBBUFAZEQ-UHFFFAOYSA-N -1 1 301.371 3.647 20 0 DHADMM C[C@H](CCc1ccco1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000069728030 1020058653 /nfs/dbraw/zinc/05/86/53/1020058653.db2.gz DCIJKDWEGDQGLB-CYBMUJFWSA-N -1 1 309.365 3.890 20 0 DHADMM Cc1cc2ccccc2n1CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111667423 1020148993 /nfs/dbraw/zinc/14/89/93/1020148993.db2.gz ZRBZJHUENRANKI-UHFFFAOYSA-N -1 1 314.772 3.947 20 0 DHADMM O=C(N[C@H](c1ccccc1)C1CCCCC1)c1cncc([O-])c1 ZINC000731869231 1020167400 /nfs/dbraw/zinc/16/74/00/1020167400.db2.gz CSYGYMLPHVLCAW-GOSISDBHSA-N -1 1 310.397 3.839 20 0 DHADMM C[C@H](c1cccc(Cl)c1)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000086763934 1020173702 /nfs/dbraw/zinc/17/37/02/1020173702.db2.gz XIABWVOZSQHTEL-NOZJJQNGSA-N -1 1 321.726 3.740 20 0 DHADMM O=S(=O)([N-]c1ccc2ccccc2c1)c1ccc(F)c(F)c1 ZINC000003288743 1020332045 /nfs/dbraw/zinc/33/20/45/1020332045.db2.gz UUUVGTHBYFGHBP-UHFFFAOYSA-N -1 1 319.332 3.919 20 0 DHADMM CC[C@H](C)Cc1c(C)sc2nc(-c3ccon3)[n-]c(=O)c12 ZINC000673697059 1020452338 /nfs/dbraw/zinc/45/23/38/1020452338.db2.gz MEETWWYOYMMJPR-QMMMGPOBSA-N -1 1 303.387 3.949 20 0 DHADMM COc1cc(C(=O)[N-]c2ccccc2SC(C)C)sn1 ZINC000626107914 1020507871 /nfs/dbraw/zinc/50/78/71/1020507871.db2.gz IKILTGSSGQOOFS-UHFFFAOYSA-N -1 1 308.428 3.905 20 0 DHADMM O=C(NCC1(c2ccccc2)CC1)c1c([O-])cccc1Cl ZINC000144442816 1020520150 /nfs/dbraw/zinc/52/01/50/1020520150.db2.gz HZGWNYJHKMPRKU-UHFFFAOYSA-N -1 1 301.773 3.507 20 0 DHADMM CCCCCC[C@H](CC)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000735040014 1020686549 /nfs/dbraw/zinc/68/65/49/1020686549.db2.gz IYRMKFHBGPCSJL-VIFPVBQESA-N -1 1 306.332 3.759 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC(C(F)(F)F)CC1 ZINC000173011075 1020895840 /nfs/dbraw/zinc/89/58/40/1020895840.db2.gz UVLLMIXEJJOKFC-UHFFFAOYSA-N -1 1 323.314 3.960 20 0 DHADMM C[C@@H]1CN(C(=O)c2ncc3ccccc3c2[O-])[C@@H]2CCCC[C@@H]21 ZINC000613398836 1020934369 /nfs/dbraw/zinc/93/43/69/1020934369.db2.gz MBEJAKQZCZSORW-XNRPHZJLSA-N -1 1 310.397 3.591 20 0 DHADMM Cc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(O)cc1[O-] ZINC000174047692 1020956302 /nfs/dbraw/zinc/95/63/02/1020956302.db2.gz UWXKYOZTLIAFJD-UHFFFAOYSA-N -1 1 311.259 3.677 20 0 DHADMM CC1(C)[C@@H](CNc2cc(Cl)[n-]c(=O)n2)[C@@H]1c1ccccc1 ZINC000858566813 1032949086 /nfs/dbraw/zinc/94/90/86/1032949086.db2.gz GYZHBAKMYUDSOJ-FZMZJTMJSA-N -1 1 303.793 3.687 20 0 DHADMM COc1ccc(C(=O)N(CC2CCC2)c2ccccc2)c([O-])c1 ZINC000175398849 1021044678 /nfs/dbraw/zinc/04/46/78/1021044678.db2.gz CUMWYWRRBBHDTB-UHFFFAOYSA-N -1 1 311.381 3.848 20 0 DHADMM CCCn1cc([N-]c2nn3cc(-c4ccccc4)nc3s2)cn1 ZINC000742419582 1021119571 /nfs/dbraw/zinc/11/95/71/1021119571.db2.gz IJLDZVTZYRORSH-UHFFFAOYSA-N -1 1 324.413 3.808 20 0 DHADMM [O-]c1c(Cl)cc(CN2CCC[C@]3(CCOC3)C2)cc1Cl ZINC001140835245 1021124120 /nfs/dbraw/zinc/12/41/20/1021124120.db2.gz QULJBFCRCMWUBS-HNNXBMFYSA-N -1 1 316.228 3.702 20 0 DHADMM [O-]c1c(Br)cccc1CNc1ccc(Cl)cn1 ZINC000181537511 1021235120 /nfs/dbraw/zinc/23/51/20/1021235120.db2.gz RWJSHLOKHSRWCK-UHFFFAOYSA-N -1 1 313.582 3.815 20 0 DHADMM COc1ccc(NC(=O)Nc2cc([O-])c(Cl)cc2F)cc1 ZINC001202393999 1021245552 /nfs/dbraw/zinc/24/55/52/1021245552.db2.gz ATDJARHOWVVBJZ-UHFFFAOYSA-N -1 1 310.712 3.837 20 0 DHADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000031665917 1021450348 /nfs/dbraw/zinc/45/03/48/1021450348.db2.gz WDGWXJJTKWRYAJ-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM C[C@@]1(CNC(=O)c2cc3ccccc3cc2[O-])CCCS1 ZINC000129475366 1021495174 /nfs/dbraw/zinc/49/51/74/1021495174.db2.gz ZHXRJALXRSBWEZ-KRWDZBQOSA-N -1 1 301.411 3.561 20 0 DHADMM COCCOc1ccccc1Nc1cc([O-])c(Cl)cc1F ZINC001212639560 1032984722 /nfs/dbraw/zinc/98/47/22/1032984722.db2.gz QONQIYSFMDAAOW-UHFFFAOYSA-N -1 1 311.740 3.954 20 0 DHADMM CCCC[C@H](CC)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000744769924 1021602671 /nfs/dbraw/zinc/60/26/71/1021602671.db2.gz SUPSJTSYOKNDPY-LBPRGKRZSA-N -1 1 318.369 3.758 20 0 DHADMM CC(C)CCO[C@H]1CC[C@H](Nc2cc(Cl)[n-]c(=O)n2)CC1 ZINC000858743106 1032992674 /nfs/dbraw/zinc/99/26/74/1032992674.db2.gz CMCMBHNTDXHWBH-HAQNSBGRSA-N -1 1 313.829 3.621 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H]2CCC[C@@H](C)C2)c1 ZINC000745156818 1021668923 /nfs/dbraw/zinc/66/89/23/1021668923.db2.gz LYPZSZREZFIVFE-MLGOLLRUSA-N -1 1 304.386 3.507 20 0 DHADMM O=c1cc(C(F)(F)F)nc(SCc2ccc(Cl)nc2)[n-]1 ZINC000109713058 1021717837 /nfs/dbraw/zinc/71/78/37/1021717837.db2.gz ATDKKCYCGYAUOT-UHFFFAOYSA-N -1 1 321.711 3.542 20 0 DHADMM C/C(=C\C(=O)OCc1cc(=O)oc2cc([O-])ccc12)C(C)(C)C ZINC000745597644 1021741270 /nfs/dbraw/zinc/74/12/70/1021741270.db2.gz RJLAHKZVBQLRTI-YRNVUSSQSA-N -1 1 316.353 3.534 20 0 DHADMM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)CCC1(F)F ZINC000644601226 1021779223 /nfs/dbraw/zinc/77/92/23/1021779223.db2.gz DHFBTUVAUNEQJA-QMMMGPOBSA-N -1 1 323.261 3.528 20 0 DHADMM Cc1nc(-c2ccc(N[C@@H](C3CC3)C3CCC3)nc2)[n-]c(=O)c1C ZINC000556847031 1021890319 /nfs/dbraw/zinc/89/03/19/1021890319.db2.gz FXROFSFZZRZFMY-QGZVFWFLSA-N -1 1 324.428 3.852 20 0 DHADMM O=C(NC[C@H]1CCCc2ccccc21)c1c([O-])cccc1Cl ZINC000920441472 1022120934 /nfs/dbraw/zinc/12/09/34/1022120934.db2.gz ILTLAGMFCLUIEF-CYBMUJFWSA-N -1 1 315.800 3.896 20 0 DHADMM C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2c([O-])cccc2Cl)o1 ZINC000920455975 1022123484 /nfs/dbraw/zinc/12/34/84/1022123484.db2.gz JWTPUUUAGNLUQX-MWLCHTKSSA-N -1 1 305.761 3.692 20 0 DHADMM COc1cccc(SC)c1[N-]C(=O)c1cc(C(C)C)no1 ZINC000416125182 1022143358 /nfs/dbraw/zinc/14/33/58/1022143358.db2.gz VWWQOJCIEVWJSJ-UHFFFAOYSA-N -1 1 306.387 3.781 20 0 DHADMM CC(C)c1cccc(CN[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000853033662 1022204567 /nfs/dbraw/zinc/20/45/67/1022204567.db2.gz SJKDUWGAHIGLLM-QGZVFWFLSA-N -1 1 301.361 3.865 20 0 DHADMM O=C(NCc1ccc([O-])c(Cl)c1)N(CCC1CC1)CC1CC1 ZINC000876400226 1033039038 /nfs/dbraw/zinc/03/90/38/1033039038.db2.gz WJLVKYQGVUTFRP-UHFFFAOYSA-N -1 1 322.836 3.767 20 0 DHADMM CCC[C@H]1C[C@@H](C(=O)Nc2cc(F)c([O-])cc2Cl)CCO1 ZINC000885675820 1022443068 /nfs/dbraw/zinc/44/30/68/1022443068.db2.gz BYEHALURVKQFHR-UWVGGRQHSA-N -1 1 315.772 3.719 20 0 DHADMM CO[C@@H]1CCC[C@@H](CC(=O)Nc2cc(F)c([O-])cc2Cl)C1 ZINC000885678311 1022462793 /nfs/dbraw/zinc/46/27/93/1022462793.db2.gz MUHDKEHDCYWCEW-NXEZZACHSA-N -1 1 315.772 3.719 20 0 DHADMM O=C1N=NC(=O)c2c(Nc3ccc(Cl)c([O-])c3)cccc21 ZINC001212593414 1022488611 /nfs/dbraw/zinc/48/86/11/1022488611.db2.gz PRVZTFSBYQMJNQ-UHFFFAOYSA-N -1 1 301.689 3.535 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CC2CC1(c1ccccc1)C2 ZINC000621014192 1022513795 /nfs/dbraw/zinc/51/37/95/1022513795.db2.gz KAFNLIPIKRLFRZ-UHFFFAOYSA-N -1 1 313.784 3.807 20 0 DHADMM CN(C[C@H]1CC1(C)C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000621050103 1022534852 /nfs/dbraw/zinc/53/48/52/1022534852.db2.gz QDIGWVRJNSDWMD-SNVBAGLBSA-N -1 1 301.308 3.529 20 0 DHADMM O=c1ccn(-c2ccc(Nc3ccc(Cl)c(O)c3)cc2)[n-]1 ZINC001212595561 1022561214 /nfs/dbraw/zinc/56/12/14/1022561214.db2.gz ZQAJZQLKABTDAW-UHFFFAOYSA-N -1 1 301.733 3.681 20 0 DHADMM Cc1noc(C2CC2)c1[N-]C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000183934562 1022567238 /nfs/dbraw/zinc/56/72/38/1022567238.db2.gz VAEJRNOOCUUCKM-UHFFFAOYSA-N -1 1 321.720 3.674 20 0 DHADMM O=C(Nc1ccc2c(c1)[C@@H](O)CCCC2)c1ccc([O-])cc1F ZINC000855549332 1022649290 /nfs/dbraw/zinc/64/92/90/1022649290.db2.gz AZTABOHTEMIURM-KRWDZBQOSA-N -1 1 315.344 3.543 20 0 DHADMM C[C@@H]1CCC(C)(C)N1C(=O)c1ccc(Br)cc1[O-] ZINC000616164938 1022653668 /nfs/dbraw/zinc/65/36/68/1022653668.db2.gz LCBCLVZRLSSYDG-SECBINFHSA-N -1 1 312.207 3.558 20 0 DHADMM CON(Cc1ccccc1)C(=O)c1ccc2ccccc2c1[O-] ZINC000180858922 1022862693 /nfs/dbraw/zinc/86/26/93/1022862693.db2.gz KATCWHXQUCKWQG-UHFFFAOYSA-N -1 1 307.349 3.749 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC(c2ccco2)CC1 ZINC000617379573 1022932105 /nfs/dbraw/zinc/93/21/05/1022932105.db2.gz GLRWFPLVYBMQIQ-UHFFFAOYSA-N -1 1 305.761 3.658 20 0 DHADMM CCC(=O)CCCSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000163916727 1022933463 /nfs/dbraw/zinc/93/34/63/1022933463.db2.gz QBOUARHWXPJTOV-UHFFFAOYSA-N -1 1 316.426 3.597 20 0 DHADMM CCc1onc(C)c1[N-]C(=O)c1csc(-c2cccs2)n1 ZINC000089399740 1023083045 /nfs/dbraw/zinc/08/30/45/1023083045.db2.gz XLMAJCHMHIKPCY-UHFFFAOYSA-N -1 1 319.411 3.983 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccoc1Br ZINC000193326165 1023092772 /nfs/dbraw/zinc/09/27/72/1023092772.db2.gz MRBUDKCNJDCXAF-UHFFFAOYSA-N -1 1 316.538 3.653 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CC2(CCCC2)[C@H]1c1ccco1 ZINC000617920129 1023097840 /nfs/dbraw/zinc/09/78/40/1023097840.db2.gz YWXMEIOBOLBEDV-MRXNPFEDSA-N -1 1 315.344 3.882 20 0 DHADMM O=C(N[C@H](c1ccccc1)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000622324460 1023108200 /nfs/dbraw/zinc/10/82/00/1023108200.db2.gz RGHWEXHMRFTSOR-CYBMUJFWSA-N -1 1 313.250 3.565 20 0 DHADMM O=C(NC12CC3CC(CC(C3)C1)C2)c1c([O-])cccc1Cl ZINC000769569704 1023182973 /nfs/dbraw/zinc/18/29/73/1023182973.db2.gz HWSDAXMEXNXQRJ-UHFFFAOYSA-N -1 1 305.805 3.744 20 0 DHADMM CN(C(=O)c1c([O-])cccc1Cl)[C@@H]1CCc2ccccc2C1 ZINC000769860871 1023220778 /nfs/dbraw/zinc/22/07/78/1023220778.db2.gz ZGUYVGRHDYEEOO-CQSZACIVSA-N -1 1 315.800 3.675 20 0 DHADMM CCSCC[C@@H](C)N(C)C(=O)c1c([O-])cccc1Cl ZINC000769931995 1023250304 /nfs/dbraw/zinc/25/03/04/1023250304.db2.gz IVCOVXUQYHCLLK-SNVBAGLBSA-N -1 1 301.839 3.649 20 0 DHADMM Cn1cccc1[C@@H]1CCCCN1C(=O)c1c([O-])cccc1Cl ZINC000769937374 1023252884 /nfs/dbraw/zinc/25/28/84/1023252884.db2.gz GMQGSFFJDRFBPP-AWEZNQCLSA-N -1 1 318.804 3.752 20 0 DHADMM CCc1ccc(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc1C ZINC000770267693 1023290092 /nfs/dbraw/zinc/29/00/92/1023290092.db2.gz MPJCQLZAOMGMGZ-UHFFFAOYSA-N -1 1 313.401 3.737 20 0 DHADMM Cc1nc(S[C@@H](C)c2nc3ccccc3o2)[n-]c(=O)c1C ZINC000538657695 1033129576 /nfs/dbraw/zinc/12/95/76/1033129576.db2.gz SKPJPVIBAMWWOY-JTQLQIEISA-N -1 1 301.371 3.794 20 0 DHADMM O=C(Nc1cc(F)cc(Cl)c1O)c1cccc(Cl)c1[O-] ZINC000771502481 1023445544 /nfs/dbraw/zinc/44/55/44/1023445544.db2.gz AUUNVUURMAAQLR-UHFFFAOYSA-N -1 1 316.115 3.796 20 0 DHADMM Cc1cccnc1COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000771958445 1023493359 /nfs/dbraw/zinc/49/33/59/1023493359.db2.gz MPLPYSQEPJWOCV-UHFFFAOYSA-N -1 1 312.152 3.759 20 0 DHADMM O=C([N-][C@H](c1cccc2ccccc21)C(F)(F)F)C(F)F ZINC000787510239 1023797192 /nfs/dbraw/zinc/79/71/92/1023797192.db2.gz FYXVYNCRMFYEJL-LLVKDONJSA-N -1 1 303.230 3.825 20 0 DHADMM O=S(=O)([N-]c1cc(F)ccc1F)c1cccc(Cl)c1F ZINC000048652775 1023800782 /nfs/dbraw/zinc/80/07/82/1023800782.db2.gz BTHHDJDSMBRMEF-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c1 ZINC000048655429 1023802937 /nfs/dbraw/zinc/80/29/37/1023802937.db2.gz ZJEUBODLTHVPBI-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(Cl)c(F)c1 ZINC000048655374 1023802975 /nfs/dbraw/zinc/80/29/75/1023802975.db2.gz UERUFIQZYQVYBJ-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM CCCCN(Cc1nc2cc(C(=O)[O-])ccc2n1CC)C1CC1 ZINC000652395310 1023839475 /nfs/dbraw/zinc/83/94/75/1023839475.db2.gz NEDJSFABXRYJKZ-UHFFFAOYSA-N -1 1 315.417 3.519 20 0 DHADMM Cc1onc(OC(F)F)c1[N-]C(=O)c1cc(Cl)ccc1F ZINC000788108585 1023847673 /nfs/dbraw/zinc/84/76/73/1023847673.db2.gz AVKOUSAIJFEXAI-UHFFFAOYSA-N -1 1 320.654 3.629 20 0 DHADMM C[C@H](N(C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)C1(C)CC1 ZINC000652440318 1023867839 /nfs/dbraw/zinc/86/78/39/1023867839.db2.gz LGTBGSIDGCJPQD-LBPRGKRZSA-N -1 1 314.385 3.660 20 0 DHADMM Cc1cnc(SC[C@@H]2CC[C@@H](c3ccccc3)O2)[n-]c1=O ZINC000882174937 1023985799 /nfs/dbraw/zinc/98/57/99/1023985799.db2.gz XWXNZHDBJAEPRU-KBPBESRZSA-N -1 1 302.399 3.503 20 0 DHADMM C[C@@H](CCOC(=O)c1ccc([O-])cc1F)OCc1ccccc1 ZINC000789083184 1023990790 /nfs/dbraw/zinc/99/07/90/1023990790.db2.gz WESZEKQSXFQNQU-ZDUSSCGKSA-N -1 1 318.344 3.684 20 0 DHADMM C[C@H](OC1CCCCCC1)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000789930601 1024184603 /nfs/dbraw/zinc/18/46/03/1024184603.db2.gz ZSUPTVQMFKUYSN-JTQLQIEISA-N -1 1 312.797 3.507 20 0 DHADMM O=C(CCc1ccc(Cl)s1)Nc1nc(Cl)ccc1[O-] ZINC000789930183 1024185070 /nfs/dbraw/zinc/18/50/70/1024185070.db2.gz GEBKLJYTQQHIOT-UHFFFAOYSA-N -1 1 317.197 3.727 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1CCSc2ccccc21 ZINC000790047746 1024213400 /nfs/dbraw/zinc/21/34/00/1024213400.db2.gz NVYSTKSPPVUITL-SNVBAGLBSA-N -1 1 320.801 3.659 20 0 DHADMM Cc1c2cccc(F)c2oc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790047359 1024214323 /nfs/dbraw/zinc/21/43/23/1024214323.db2.gz FUFOVFWSDMUEKB-UHFFFAOYSA-N -1 1 320.707 3.887 20 0 DHADMM CC1(NC(=O)Cc2ccc([O-])c(Cl)c2)CCC(F)(F)CC1 ZINC000632406666 1024362179 /nfs/dbraw/zinc/36/21/79/1024362179.db2.gz BJFFPAPOEMXMJD-UHFFFAOYSA-N -1 1 317.763 3.672 20 0 DHADMM Cc1cc(C=O)c([O-])c(C(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)c1 ZINC001137188186 1024406311 /nfs/dbraw/zinc/40/63/11/1024406311.db2.gz REGUINLDHFJJGM-RHSMWYFYSA-N -1 1 323.392 3.531 20 0 DHADMM CCOc1cc(C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)cc(Cl)c1[O-] ZINC000618517572 1024413979 /nfs/dbraw/zinc/41/39/79/1024413979.db2.gz KAXJVKVSQLVPEV-MDZLAQPJSA-N -1 1 323.820 3.610 20 0 DHADMM O=C(Nc1cccc2ocnc21)c1cc2ccccc2cc1[O-] ZINC000791000120 1024415087 /nfs/dbraw/zinc/41/50/87/1024415087.db2.gz CQPWUHSAHHKIRS-UHFFFAOYSA-N -1 1 304.305 3.939 20 0 DHADMM Cc1cc(C)cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000339121696 1024571331 /nfs/dbraw/zinc/57/13/31/1024571331.db2.gz WZVMLADTCFRAAO-UHFFFAOYSA-N -1 1 307.353 3.651 20 0 DHADMM CC[C@H](C)n1ncc(NC(=O)c2cc(SC)ccc2[O-])c1C ZINC000613940466 1024595205 /nfs/dbraw/zinc/59/52/05/1024595205.db2.gz IZZVSRGMLLBRPF-JTQLQIEISA-N -1 1 319.430 3.842 20 0 DHADMM Cc1nc(-c2cccc(NC(=O)c3ccc(O)cc3[O-])c2)oc1C ZINC000194208593 1024619606 /nfs/dbraw/zinc/61/96/06/1024619606.db2.gz WOQWUABTCQOYAY-UHFFFAOYSA-N -1 1 324.336 3.622 20 0 DHADMM C[C@@H]1CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CCS1 ZINC000859786600 1033225936 /nfs/dbraw/zinc/22/59/36/1033225936.db2.gz LOYGEPSISRXZSH-GFCCVEGCSA-N -1 1 317.410 3.582 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(F)cc2cccnc21 ZINC000163071586 1024643469 /nfs/dbraw/zinc/64/34/69/1024643469.db2.gz NKKFVXNXIVGIDN-UHFFFAOYSA-N -1 1 316.719 3.985 20 0 DHADMM O=C([N-]c1c(F)cccc1F)c1cnc(-c2ccco2)s1 ZINC000348971874 1024655882 /nfs/dbraw/zinc/65/58/82/1024655882.db2.gz CUFGFHAOUPGVDG-UHFFFAOYSA-N -1 1 306.293 3.934 20 0 DHADMM Cc1nc2ccc(C(=O)Nc3ccc([O-])c(Cl)c3)cc2o1 ZINC000792259745 1024657098 /nfs/dbraw/zinc/65/70/98/1024657098.db2.gz SJTVWXPFPYKSFJ-UHFFFAOYSA-N -1 1 302.717 3.748 20 0 DHADMM C[C@H](C(=O)[O-])N(C)Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000263431027 1024989492 /nfs/dbraw/zinc/98/94/92/1024989492.db2.gz SBOPQCGHSGBMNY-SNVBAGLBSA-N -1 1 309.818 3.973 20 0 DHADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(Cl)cc1Cl ZINC000263457105 1025016487 /nfs/dbraw/zinc/01/64/87/1025016487.db2.gz AZBOTFYROHNOLX-MWLCHTKSSA-N -1 1 302.201 3.679 20 0 DHADMM Cc1cc(-c2nc3ccc(O)cc3c(=O)[n-]2)nc2ccccc12 ZINC000436710572 1025200242 /nfs/dbraw/zinc/20/02/42/1025200242.db2.gz WBKOTPADJNHXNJ-UHFFFAOYSA-N -1 1 303.321 3.565 20 0 DHADMM CCCCC[C@@H](C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)C(C)C ZINC001129639949 1025367520 /nfs/dbraw/zinc/36/75/20/1025367520.db2.gz VMKNBAXHXAEDMX-CYBMUJFWSA-N -1 1 319.449 3.852 20 0 DHADMM CC1(C)CCc2nc(NC(=O)c3cccc([O-])c3F)sc2C1 ZINC001299495900 1025370650 /nfs/dbraw/zinc/37/06/50/1025370650.db2.gz KCOHFGUBWGKBKP-UHFFFAOYSA-N -1 1 320.389 3.755 20 0 DHADMM COC1(C(=O)Nc2cc(F)c([O-])cc2Cl)CCCCCC1 ZINC000885673720 1025377957 /nfs/dbraw/zinc/37/79/57/1025377957.db2.gz VFFGPRHVYRUNMD-UHFFFAOYSA-N -1 1 315.772 3.863 20 0 DHADMM CCS[C@H](C(=O)Nc1cc(F)c([O-])cc1Cl)C(C)C ZINC000885674810 1025378031 /nfs/dbraw/zinc/37/80/31/1025378031.db2.gz VYSNPHRPMIRNTJ-LBPRGKRZSA-N -1 1 305.802 3.901 20 0 DHADMM CC[C@@H]1C[C@H](CC(=O)Nc2cc(F)c([O-])cc2Cl)CCO1 ZINC000885676896 1025379375 /nfs/dbraw/zinc/37/93/75/1025379375.db2.gz VZVCDEHLJJSILL-NXEZZACHSA-N -1 1 315.772 3.719 20 0 DHADMM Cc1noc([N-]C(=O)c2ccc(-c3ccccc3Cl)o2)n1 ZINC000042702921 1025447612 /nfs/dbraw/zinc/44/76/12/1025447612.db2.gz GLLHXNGTUUNUKQ-UHFFFAOYSA-N -1 1 303.705 3.544 20 0 DHADMM COc1ccc(Nc2cc(Cl)cc(Cl)c2[O-])c(CO)c1 ZINC001211745409 1025764427 /nfs/dbraw/zinc/76/44/27/1025764427.db2.gz WLMYVICKSDWYIF-UHFFFAOYSA-N -1 1 314.168 3.944 20 0 DHADMM CCC1CCC(CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)CC1 ZINC000747366792 1026008674 /nfs/dbraw/zinc/00/86/74/1026008674.db2.gz HIUGZCBYFJTOML-UHFFFAOYSA-N -1 1 319.449 3.560 20 0 DHADMM CCC[C@H](Cc1ccccc1)NC(=O)c1c(F)ccc([O-])c1F ZINC000289683075 1026130141 /nfs/dbraw/zinc/13/01/41/1026130141.db2.gz MUEGJODNGUSVQO-CYBMUJFWSA-N -1 1 319.351 3.812 20 0 DHADMM CC(C)=CC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000808112786 1026204047 /nfs/dbraw/zinc/20/40/47/1026204047.db2.gz KTHKCGCMRPZMPY-UHFFFAOYSA-N -1 1 304.571 3.713 20 0 DHADMM O=C([N-]c1ccnc(Cl)c1F)c1c(F)c(F)cc(F)c1F ZINC001275517942 1026276580 /nfs/dbraw/zinc/27/65/80/1026276580.db2.gz CJSZBSWYCMHMAI-UHFFFAOYSA-N -1 1 322.620 3.683 20 0 DHADMM CC(C)(C)CCCC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000729026136 1026354960 /nfs/dbraw/zinc/35/49/60/1026354960.db2.gz LZYBFLRXTQEELW-UHFFFAOYSA-N -1 1 318.369 3.758 20 0 DHADMM O=C(N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)c1ccc([O-])cc1F ZINC000280175244 1026608239 /nfs/dbraw/zinc/60/82/39/1026608239.db2.gz CGQNVZYTLITIOF-TZMCWYRMSA-N -1 1 317.335 3.737 20 0 DHADMM CC[C@H](C)CCNc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000664231034 1026703325 /nfs/dbraw/zinc/70/33/25/1026703325.db2.gz SHLRTZAQSNNPIB-NSHDSACASA-N -1 1 300.406 3.709 20 0 DHADMM CCC(CC)[C@H](CCNC(=O)c1c([O-])cccc1Cl)OC ZINC000747618223 1026806851 /nfs/dbraw/zinc/80/68/51/1026806851.db2.gz WCLRBMSJHZCUOI-AWEZNQCLSA-N -1 1 313.825 3.617 20 0 DHADMM Cc1cccc(C2(CNC(=O)c3ncccc3[O-])CCCCC2)c1 ZINC001625924557 1026838453 /nfs/dbraw/zinc/83/84/53/1026838453.db2.gz INORAOILRAFKAG-UHFFFAOYSA-N -1 1 324.424 3.728 20 0 DHADMM Cc1cccc([C@@H](C)CNC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000561967125 1027151006 /nfs/dbraw/zinc/15/10/06/1027151006.db2.gz HBQZFOBZFQFLBX-NSHDSACASA-N -1 1 305.324 3.512 20 0 DHADMM C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)c1ccc([O-])cc1F ZINC000295261124 1027164698 /nfs/dbraw/zinc/16/46/98/1027164698.db2.gz DFIQNUQVHCYOSB-IVZWLZJFSA-N -1 1 319.298 3.723 20 0 DHADMM C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)c1ccc([O-])cc1F ZINC000295261122 1027165692 /nfs/dbraw/zinc/16/56/92/1027165692.db2.gz DFIQNUQVHCYOSB-AEJSXWLSSA-N -1 1 319.298 3.723 20 0 DHADMM C[C@@H](C1CC1)N(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1CC1 ZINC000271909308 1027177085 /nfs/dbraw/zinc/17/70/85/1027177085.db2.gz DCEVDQWCMZAAQR-VIFPVBQESA-N -1 1 313.319 3.814 20 0 DHADMM C[C@@H](C(=O)[N-]OC/C=C\Cl)c1ccccc1C(F)(F)F ZINC000812400527 1027260275 /nfs/dbraw/zinc/26/02/75/1027260275.db2.gz NULLBCCRBULLGE-WQAKUFEDSA-N -1 1 307.699 3.609 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(Oc2ccccc2)cn1 ZINC000576302729 1027601084 /nfs/dbraw/zinc/60/10/84/1027601084.db2.gz PTRIGSFTYUGLAX-UHFFFAOYSA-N -1 1 324.311 3.971 20 0 DHADMM CCOc1cc(C(=O)N2CC(C3CCCC3)C2)cc(Cl)c1[O-] ZINC000365413262 1027940948 /nfs/dbraw/zinc/94/09/48/1027940948.db2.gz XGLPNBUDCMYKBU-UHFFFAOYSA-N -1 1 323.820 3.707 20 0 DHADMM COc1cc(F)c(NCc2cccc([O-])c2Cl)cc1OC ZINC000815133164 1028393313 /nfs/dbraw/zinc/39/33/13/1028393313.db2.gz GEFHFZNFYHPCOU-UHFFFAOYSA-N -1 1 311.740 3.814 20 0 DHADMM CC(=O)c1cccc(NC(=O)c2ccc3ccccc3c2[O-])c1O ZINC000565383645 1028581265 /nfs/dbraw/zinc/58/12/65/1028581265.db2.gz BOUAEASHCXXGOC-UHFFFAOYSA-N -1 1 321.332 3.706 20 0 DHADMM O=C(Nc1cc(F)ccc1O)c1ccc(C(F)(F)F)cc1[O-] ZINC001138016563 1028607801 /nfs/dbraw/zinc/60/78/01/1028607801.db2.gz QKEZZVTZMKCWNB-UHFFFAOYSA-N -1 1 315.222 3.508 20 0 DHADMM CO[C@@H]1CC[C@H](C(=O)Nc2cc(Cl)c([O-])c3ccccc23)C1 ZINC000628233486 1028952799 /nfs/dbraw/zinc/95/27/99/1028952799.db2.gz FZYGDHISIVASFU-WDEREUQCSA-N -1 1 319.788 3.952 20 0 DHADMM C[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C[C@@H](C)C1(F)F ZINC000628387564 1029027376 /nfs/dbraw/zinc/02/73/76/1029027376.db2.gz WBDCHWFSHBDZQW-VXGBXAGGSA-N -1 1 319.351 3.909 20 0 DHADMM Cc1cc2[nH]ncc2cc1NC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000816974060 1029045615 /nfs/dbraw/zinc/04/56/15/1029045615.db2.gz PZPZITIWSHKHLU-UHFFFAOYSA-N -1 1 324.365 3.554 20 0 DHADMM CCOc1cc(O)ccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000190973362 1029232717 /nfs/dbraw/zinc/23/27/17/1029232717.db2.gz VSUPRFJPNRJFPU-UHFFFAOYSA-N -1 1 323.348 3.902 20 0 DHADMM Cc1cccc(-c2ccc([N-]S(=O)(=O)CCCCF)nc2)c1 ZINC000629352110 1029308022 /nfs/dbraw/zinc/30/80/22/1029308022.db2.gz NRRHLTNHTQKGAA-UHFFFAOYSA-N -1 1 322.405 3.548 20 0 DHADMM COCc1ccccc1NC(=O)c1cc(SC)ccc1[O-] ZINC001136265782 1029605788 /nfs/dbraw/zinc/60/57/88/1029605788.db2.gz HDZWWGXIBWCEOZ-UHFFFAOYSA-N -1 1 303.383 3.513 20 0 DHADMM Cc1c(C(=O)Nc2cccc(F)c2[O-])cnn1C1CCCCC1 ZINC000530005469 1029710924 /nfs/dbraw/zinc/71/09/24/1029710924.db2.gz LAYBXWKPCDAQJN-UHFFFAOYSA-N -1 1 317.364 3.794 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])c1ccc(N2CCCCC2)cc1 ZINC000530005517 1029711488 /nfs/dbraw/zinc/71/14/88/1029711488.db2.gz LVSUTIVBTFXSGV-UHFFFAOYSA-N -1 1 314.360 3.774 20 0 DHADMM O=C(Nc1ccc(-c2ccccc2)cn1)c1cccc([O-])c1F ZINC001136340116 1029727522 /nfs/dbraw/zinc/72/75/22/1029727522.db2.gz DZYRKAHJJWDIIZ-UHFFFAOYSA-N -1 1 308.312 3.846 20 0 DHADMM O=C(c1cccc([O-])c1F)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001136348810 1029741316 /nfs/dbraw/zinc/74/13/16/1029741316.db2.gz WHHSKRKLOZAMCG-CQSZACIVSA-N -1 1 317.335 3.518 20 0 DHADMM CC(C)c1nnc([N-]C(=O)c2nc3ccccc3s2)s1 ZINC000121476964 1029744869 /nfs/dbraw/zinc/74/48/69/1029744869.db2.gz COQLGNKBISUXON-UHFFFAOYSA-N -1 1 304.400 3.524 20 0 DHADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(OC(C)C)c2)c1 ZINC000451089452 1029788927 /nfs/dbraw/zinc/78/89/27/1029788927.db2.gz MKMRVMFZDQHDLL-UHFFFAOYSA-N -1 1 305.399 3.583 20 0 DHADMM CCCCCOc1ccc(C=Cc2ncc(OC)c(=O)[n-]2)cc1 ZINC000821008958 1029804401 /nfs/dbraw/zinc/80/44/01/1029804401.db2.gz VEFBEHVKFXYQNK-FLIBITNWSA-N -1 1 314.385 3.930 20 0 DHADMM Cc1ccc2cccc([N-]S(=O)(=O)C3=CCCCC3)c2n1 ZINC000821172897 1029818547 /nfs/dbraw/zinc/81/85/47/1029818547.db2.gz IHPPLMQXDRDCJW-UHFFFAOYSA-N -1 1 302.399 3.743 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000821374748 1029828857 /nfs/dbraw/zinc/82/88/57/1029828857.db2.gz HWLREXZLFJACMS-GARJFASQSA-N -1 1 324.218 3.920 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC000821375193 1029829295 /nfs/dbraw/zinc/82/92/95/1029829295.db2.gz OZIWAZSIDPGRFB-JGPRNRPPSA-N -1 1 324.218 3.920 20 0 DHADMM COc1ccc(C)cc1CNC(=O)c1ccc2ccccc2c1[O-] ZINC001136437765 1029832010 /nfs/dbraw/zinc/83/20/10/1029832010.db2.gz RGMOAKFGMZADLI-UHFFFAOYSA-N -1 1 321.376 3.792 20 0 DHADMM CC[C@@H](C)CO[N-]C(=O)[C@@H](C)c1ccccc1C(F)(F)F ZINC000794867653 1030017749 /nfs/dbraw/zinc/01/77/49/1030017749.db2.gz ZQXFVIOISZEGSZ-MNOVXSKESA-N -1 1 303.324 3.903 20 0 DHADMM CCCc1cc(C(=O)[N-]c2nnc(C3CCCCC3)s2)no1 ZINC000822686055 1030099060 /nfs/dbraw/zinc/09/90/60/1030099060.db2.gz IJCPBEUPPHZXEA-UHFFFAOYSA-N -1 1 320.418 3.779 20 0 DHADMM C[C@@H](C(=O)Nc1ccc(F)cc1[O-])c1cn(C)c2ccccc12 ZINC000357638070 1030135584 /nfs/dbraw/zinc/13/55/84/1030135584.db2.gz RRBCISDEKQIMQZ-LLVKDONJSA-N -1 1 312.344 3.765 20 0 DHADMM C[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])CCC1(F)F ZINC000290870224 1030230877 /nfs/dbraw/zinc/23/08/77/1030230877.db2.gz JAUHCWABGISMQN-NSHDSACASA-N -1 1 305.324 3.663 20 0 DHADMM Cc1csc(C(=O)[N-]c2nnc(C(F)F)s2)c1Cl ZINC000358049222 1030300692 /nfs/dbraw/zinc/30/06/92/1030300692.db2.gz YLICIDDTKGLLKA-UHFFFAOYSA-N -1 1 309.750 3.751 20 0 DHADMM Cc1noc(C)c1[N-]C(=O)c1ncoc1-c1ccccc1Cl ZINC000358217026 1030384393 /nfs/dbraw/zinc/38/43/93/1030384393.db2.gz CZIHFQHEHICCCB-UHFFFAOYSA-N -1 1 317.732 3.852 20 0 DHADMM O=C([N-]c1nnc(-c2ccccc2)s1)c1sccc1F ZINC000339078956 1030528238 /nfs/dbraw/zinc/52/82/38/1030528238.db2.gz SGRBLKSWKBWVLN-UHFFFAOYSA-N -1 1 305.359 3.658 20 0 DHADMM Cc1cnc(C(=O)N2CCC[C@H]2c2ccccc2Cl)c([O-])c1 ZINC000358624002 1030562061 /nfs/dbraw/zinc/56/20/61/1030562061.db2.gz DUZUIXLIVKYEQD-AWEZNQCLSA-N -1 1 316.788 3.726 20 0 DHADMM C[S@](=O)(=NC([O-])=CC(F)(F)C(F)(F)F)C1CCCCC1 ZINC000926000083 1030574448 /nfs/dbraw/zinc/57/44/48/1030574448.db2.gz IFWYGDJZUFGBDO-HXUWFJFHSA-N -1 1 321.311 3.531 20 0 DHADMM CC(C)[S@@](C)(=O)=NC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000926056416 1030592019 /nfs/dbraw/zinc/59/20/19/1030592019.db2.gz YFNPZXDQFJAYJG-GOSISDBHSA-N -1 1 304.824 3.529 20 0 DHADMM O=S(=O)([N-]c1ccccc1Cl)c1cc(F)c(F)cc1F ZINC000105589398 1030595208 /nfs/dbraw/zinc/59/52/08/1030595208.db2.gz GNMMMORQPKYSSI-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM CC[C@@H](C)N(CC)C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC000824652225 1030600199 /nfs/dbraw/zinc/60/01/99/1030600199.db2.gz XSFKCZJJEJWADI-GFCCVEGCSA-N -1 1 315.369 3.725 20 0 DHADMM Cc1cc(C(=O)[N-]c2cc(F)ccc2SCC(F)F)no1 ZINC000078189217 1030920371 /nfs/dbraw/zinc/92/03/71/1030920371.db2.gz CQMVCSQPAZGIFB-UHFFFAOYSA-N -1 1 316.304 3.732 20 0 DHADMM C[C@H](c1ccccc1F)N(C)CCOc1cccc(C(=O)[O-])c1 ZINC000320432966 1030946401 /nfs/dbraw/zinc/94/64/01/1030946401.db2.gz AZAOLOYJBXXWBW-CYBMUJFWSA-N -1 1 317.360 3.596 20 0 DHADMM CC[C@H](CC(=O)OCc1cc(=O)oc2cc([O-])ccc12)C(C)C ZINC000729759393 1031024849 /nfs/dbraw/zinc/02/48/49/1031024849.db2.gz CKMNDZNYVPDAEB-GFCCVEGCSA-N -1 1 318.369 3.614 20 0 DHADMM CCC[C@H](NCc1ccc(-c2cccc(F)c2C)o1)C(=O)[O-] ZINC000262692460 1031136243 /nfs/dbraw/zinc/13/62/43/1031136243.db2.gz GRWCOBOIFWFSPO-HNNXBMFYSA-N -1 1 305.349 3.737 20 0 DHADMM O=C([N-]c1cc(F)c(F)c(F)c1F)c1coc(C2CCC2)n1 ZINC000871268919 1031178560 /nfs/dbraw/zinc/17/85/60/1031178560.db2.gz JMNKDHKRNJPFSF-UHFFFAOYSA-N -1 1 314.238 3.751 20 0 DHADMM CC(C)[C@@H](NCc1ccc(C(=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000263382913 1031189246 /nfs/dbraw/zinc/18/92/46/1031189246.db2.gz CCGOEQCAPAMGPE-QGZVFWFLSA-N -1 1 323.396 3.748 20 0 DHADMM O=C(NCCC1(c2ccccc2)CC1)c1c(F)ccc([O-])c1F ZINC000927540894 1031197683 /nfs/dbraw/zinc/19/76/83/1031197683.db2.gz AOOWCCVFOKHCQZ-UHFFFAOYSA-N -1 1 317.335 3.522 20 0 DHADMM COc1c(C)cccc1CNC(=O)c1ccc2ccccc2c1[O-] ZINC001144101102 1031246320 /nfs/dbraw/zinc/24/63/20/1031246320.db2.gz MZDZCFODZIYPHK-UHFFFAOYSA-N -1 1 321.376 3.792 20 0 DHADMM Cc1cccnc1-n1[n-]c(Cc2ccccc2)c(C(C)C)c1=O ZINC000871955169 1031384792 /nfs/dbraw/zinc/38/47/92/1031384792.db2.gz KPURKUBTLGPWAS-KRWDZBQOSA-N -1 1 307.397 3.608 20 0 DHADMM CC1(C)CCc2c([n-]n(Cc3cnc4ccccc4c3)c2=O)C1 ZINC000871959299 1031390429 /nfs/dbraw/zinc/39/04/29/1031390429.db2.gz OZXKLWPTZMCVOL-OAHLLOKOSA-N -1 1 307.397 3.759 20 0 DHADMM CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)cc1C ZINC000536701144 1031406567 /nfs/dbraw/zinc/40/65/67/1031406567.db2.gz FGBBGGZLNHPIKX-UHFFFAOYSA-N -1 1 323.389 3.506 20 0 DHADMM [O-]c1ccc(-c2noc(C3(c4cccc(F)c4)CC3)n2)cc1F ZINC000445477436 1031531129 /nfs/dbraw/zinc/53/11/29/1031531129.db2.gz OBUCQIINCFSHSF-UHFFFAOYSA-N -1 1 314.291 3.800 20 0 DHADMM CC[C@H](Sc1nc(C)c(C)c(=O)[n-]1)C(=O)c1ccccc1 ZINC000537417105 1031596539 /nfs/dbraw/zinc/59/65/39/1031596539.db2.gz PLQFHOFHJQIQHL-ZDUSSCGKSA-N -1 1 302.399 3.553 20 0 DHADMM O=C(NCCCc1cccs1)NCc1ccc([O-])c(Cl)c1 ZINC000872955387 1031682122 /nfs/dbraw/zinc/68/21/22/1031682122.db2.gz IPDNYCPZWKPOKW-UHFFFAOYSA-N -1 1 324.833 3.539 20 0 DHADMM Cc1ccccc1O[C@H]1CCN(Cc2c(F)cc([O-])cc2F)C1 ZINC001144555153 1031704065 /nfs/dbraw/zinc/70/40/65/1031704065.db2.gz XNBVOQDSJQWXEN-AWEZNQCLSA-N -1 1 319.351 3.632 20 0 DHADMM Cc1cnc(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)c([O-])c1 ZINC001144623834 1031772701 /nfs/dbraw/zinc/77/27/01/1031772701.db2.gz SZIXCVILONJNKA-INIZCTEOSA-N -1 1 314.360 3.506 20 0 DHADMM CC1(C)CN(C(=O)c2cc(F)ccc2[O-])c2cc(F)ccc21 ZINC001144660737 1031817460 /nfs/dbraw/zinc/81/74/60/1031817460.db2.gz KATLDEGJNCIXLM-UHFFFAOYSA-N -1 1 303.308 3.608 20 0 DHADMM CC1(C)CC[C@H]1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000561554161 1031962859 /nfs/dbraw/zinc/96/28/59/1031962859.db2.gz IOCIAWMOBZOANZ-SSDOTTSWSA-N -1 1 314.259 3.522 20 0 DHADMM CC(C)c1ccccc1OCC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001142537239 1031972340 /nfs/dbraw/zinc/97/23/40/1031972340.db2.gz FIOHKTDTJZCHOX-UHFFFAOYSA-N -1 1 321.323 3.811 20 0 DHADMM Cc1ccccc1OCCCNC(=O)c1ccc(Cl)cc1[O-] ZINC001144904477 1032036246 /nfs/dbraw/zinc/03/62/46/1032036246.db2.gz NNQNLGUNPYLBDO-UHFFFAOYSA-N -1 1 319.788 3.553 20 0 DHADMM Cc1ccc(F)c(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)c1 ZINC001212688425 1033446877 /nfs/dbraw/zinc/44/68/77/1033446877.db2.gz AXVCZVXUWNBMHV-UHFFFAOYSA-N -1 1 312.226 3.593 20 0 DHADMM Cc1ccc(F)c(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)c1 ZINC001212688425 1033446882 /nfs/dbraw/zinc/44/68/82/1033446882.db2.gz AXVCZVXUWNBMHV-UHFFFAOYSA-N -1 1 312.226 3.593 20 0 DHADMM FC(F)(F)c1cnc(-c2nc(-c3cccc(Cl)c3)no2)[n-]1 ZINC001212690059 1033461494 /nfs/dbraw/zinc/46/14/94/1033461494.db2.gz VNVWQLJHGPRGEO-UHFFFAOYSA-N -1 1 314.654 3.799 20 0 DHADMM FC(F)(F)c1c[n-]c(-c2nc(-c3cccc(Cl)c3)no2)n1 ZINC001212690059 1033461504 /nfs/dbraw/zinc/46/15/04/1033461504.db2.gz VNVWQLJHGPRGEO-UHFFFAOYSA-N -1 1 314.654 3.799 20 0 DHADMM CCCCCc1nnc([N-]C(=O)c2cc(C(C)C)on2)s1 ZINC000152226083 1033507491 /nfs/dbraw/zinc/50/74/91/1033507491.db2.gz SPABSYWOERLBEH-UHFFFAOYSA-N -1 1 308.407 3.635 20 0 DHADMM CC1(C(=O)Nc2nc(Cl)ccc2[O-])CCC(F)(F)CC1 ZINC000861252206 1033619535 /nfs/dbraw/zinc/61/95/35/1033619535.db2.gz WLGISOJUTSFFQS-UHFFFAOYSA-N -1 1 304.724 3.595 20 0 DHADMM CSc1cc(F)c(-c2noc(-c3ccncc3[O-])n2)cc1F ZINC001212722404 1033685292 /nfs/dbraw/zinc/68/52/92/1033685292.db2.gz FAEWKMTWMZLQSH-UHFFFAOYSA-N -1 1 321.308 3.504 20 0 DHADMM [O-]c1cnccc1-c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC001212721254 1033697626 /nfs/dbraw/zinc/69/76/26/1033697626.db2.gz GJWZMYWEHCLCFK-UHFFFAOYSA-N -1 1 307.231 3.523 20 0 DHADMM C[C@H]1CSCCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000889912617 1033775154 /nfs/dbraw/zinc/77/51/54/1033775154.db2.gz GUZMOAONGCVTGR-LBPRGKRZSA-N -1 1 301.411 3.513 20 0 DHADMM CC(C)OCCC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000862295085 1033813951 /nfs/dbraw/zinc/81/39/51/1033813951.db2.gz XVGMZXOSJPVUEJ-UHFFFAOYSA-N -1 1 307.777 3.952 20 0 DHADMM CCOC(=O)c1nc(C2CC2)oc1[N-]c1c(F)cccc1F ZINC001173859369 1033891499 /nfs/dbraw/zinc/89/14/99/1033891499.db2.gz MXVUFBKOJHHUOM-UHFFFAOYSA-N -1 1 308.284 3.751 20 0 DHADMM CC(C)(C)c1ncc(/C=C\C(=O)Nc2cccc(F)c2[O-])s1 ZINC000863010650 1033976060 /nfs/dbraw/zinc/97/60/60/1033976060.db2.gz XHAWBHKGEHIJLC-FPLPWBNLSA-N -1 1 320.389 3.937 20 0 DHADMM O=C([N-]Oc1ccc(F)cc1)C1CCC(C(F)(F)F)CC1 ZINC000898575839 1034117462 /nfs/dbraw/zinc/11/74/62/1034117462.db2.gz YISQPAJLFOVWMD-UHFFFAOYSA-N -1 1 305.271 3.604 20 0 DHADMM CC(C)(C)NC(=O)c1ccc(Nc2cc(F)c([O-])cc2F)cc1 ZINC001174127525 1034150733 /nfs/dbraw/zinc/15/07/33/1034150733.db2.gz VUYNLVFIVQXIKI-UHFFFAOYSA-N -1 1 320.339 3.942 20 0 DHADMM [O-]c1cc(Nc2cnn(Cc3ccccc3)c2)cc(F)c1F ZINC001174134614 1034158880 /nfs/dbraw/zinc/15/88/80/1034158880.db2.gz LSVAZJXZNRHFQT-UHFFFAOYSA-N -1 1 301.296 3.659 20 0 DHADMM Cc1n[nH]c(C)c1Nc1c(Cl)ccc(Br)c1[O-] ZINC001174216845 1034227921 /nfs/dbraw/zinc/22/79/21/1034227921.db2.gz BGRZTRLJVMEEAU-UHFFFAOYSA-N -1 1 316.586 3.892 20 0 DHADMM Cc1sc(C)c2c1[n-]c(Cc1ccc3c(c1)CCO3)nc2=O ZINC000864354615 1034325995 /nfs/dbraw/zinc/32/59/95/1034325995.db2.gz HOHOVCLHRZTKHH-UHFFFAOYSA-N -1 1 312.394 3.539 20 0 DHADMM COc1ccc(Cc2nc(=O)c3c(C)sc(C)c3[n-]2)cc1 ZINC000864356192 1034326631 /nfs/dbraw/zinc/32/66/31/1034326631.db2.gz RKAQYRQSCNSGFE-UHFFFAOYSA-N -1 1 300.383 3.613 20 0 DHADMM C[C@H]1CC(F)(F)CCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000899140790 1034467501 /nfs/dbraw/zinc/46/75/01/1034467501.db2.gz CXEMEKQGGSINPJ-JTQLQIEISA-N -1 1 321.323 3.511 20 0 DHADMM CCNC(=O)Nc1ccc(Nc2cc(F)c([O-])cc2F)cc1 ZINC001174521235 1034478777 /nfs/dbraw/zinc/47/87/77/1034478777.db2.gz KICVALRBQQIMLI-UHFFFAOYSA-N -1 1 307.300 3.555 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)c(C)n1 ZINC000128690828 1034482723 /nfs/dbraw/zinc/48/27/23/1034482723.db2.gz UVWSLVHDXOGRKN-UHFFFAOYSA-N -1 1 318.442 3.797 20 0 DHADMM COc1ccc(C(F)(F)F)cc1[N-]c1nnc(C(C)C)o1 ZINC001174773875 1034600894 /nfs/dbraw/zinc/60/08/94/1034600894.db2.gz FISAIDPJXCSTMO-UHFFFAOYSA-N -1 1 301.268 3.964 20 0 DHADMM CCOc1cc(C(=O)Nc2c(C)noc2CC)cc(Cl)c1[O-] ZINC000186972110 1034675714 /nfs/dbraw/zinc/67/57/14/1034675714.db2.gz RFUGPAHKNRCBDZ-UHFFFAOYSA-N -1 1 324.764 3.555 20 0 DHADMM CC(C)(C)[C@H]1CCCN(C(=O)c2c(F)ccc([O-])c2F)CC1 ZINC000555555485 1034801583 /nfs/dbraw/zinc/80/15/83/1034801583.db2.gz JBKASGCDANHNKQ-NSHDSACASA-N -1 1 311.372 3.959 20 0 DHADMM Cc1ccc2c(c1)C[N@H+](Cc1ccc(Cl)cc1C(=O)[O-])CC2 ZINC001142643461 1034860864 /nfs/dbraw/zinc/86/08/64/1034860864.db2.gz VYZFFXPYJYCOAG-UHFFFAOYSA-N -1 1 315.800 3.905 20 0 DHADMM Cc1ccc2c(c1)CN(Cc1ccc(Cl)cc1C(=O)[O-])CC2 ZINC001142643461 1034860874 /nfs/dbraw/zinc/86/08/74/1034860874.db2.gz VYZFFXPYJYCOAG-UHFFFAOYSA-N -1 1 315.800 3.905 20 0 DHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N(CC(F)F)C1CCC1 ZINC000899784568 1034894280 /nfs/dbraw/zinc/89/42/80/1034894280.db2.gz IZSXIQDKQKMZHZ-UHFFFAOYSA-N -1 1 321.323 3.511 20 0 DHADMM COc1ccc(C(C)=O)c(Nc2c(F)ccc([O-])c2F)c1C ZINC001175267960 1034914513 /nfs/dbraw/zinc/91/45/13/1034914513.db2.gz FXZOQAAPMKHDFK-UHFFFAOYSA-N -1 1 307.296 3.934 20 0 DHADMM Cc1coc(-c2cc(NC(=O)c3ccccc3[O-])ccc2C)n1 ZINC000159467789 1035060020 /nfs/dbraw/zinc/06/00/20/1035060020.db2.gz HBPOVGFSHYGYSV-UHFFFAOYSA-N -1 1 308.337 3.916 20 0 DHADMM CCc1c(Cl)cc(Nc2cnc(N)nc2C)c([O-])c1Cl ZINC001175674982 1035081063 /nfs/dbraw/zinc/08/10/63/1035081063.db2.gz QGYZLDVKOQRWCY-UHFFFAOYSA-N -1 1 313.188 3.686 20 0 DHADMM Cc1cc([C@@H](C)N(C)Cc2ccc(F)cc2C)oc1C(=O)[O-] ZINC000568068604 1035178583 /nfs/dbraw/zinc/17/85/83/1035178583.db2.gz MTFNQOGFEFVYDE-GFCCVEGCSA-N -1 1 305.349 3.927 20 0 DHADMM [O-]c1cc(Nc2cnn(Cc3cccs3)c2)cc(F)c1F ZINC001176162467 1035221809 /nfs/dbraw/zinc/22/18/09/1035221809.db2.gz MVIJZDYXJUSITI-UHFFFAOYSA-N -1 1 307.325 3.720 20 0 DHADMM O=C(OCc1cc(Cl)nc(Cl)c1)c1ccc([O-])cc1F ZINC000773564550 1035238610 /nfs/dbraw/zinc/23/86/10/1035238610.db2.gz GFDIMDVQOXZSMT-UHFFFAOYSA-N -1 1 316.115 3.590 20 0 DHADMM CC(C)(C)c1nnc([N-]c2ccc(O)cc2C(F)(F)F)o1 ZINC001176338075 1035243525 /nfs/dbraw/zinc/24/35/25/1035243525.db2.gz MVNUYCQNBZYGCT-UHFFFAOYSA-N -1 1 301.268 3.835 20 0 DHADMM CCc1cc([N-]S(=O)(=O)c2ccc(C)c(N)c2)ccc1Cl ZINC001176391328 1035254664 /nfs/dbraw/zinc/25/46/64/1035254664.db2.gz OZTDTNXQZDKUNX-UHFFFAOYSA-N -1 1 324.833 3.594 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cnccc2OC(F)(F)F)c1F ZINC001176663399 1035308753 /nfs/dbraw/zinc/30/87/53/1035308753.db2.gz IWPYTVIXPFYTOV-UHFFFAOYSA-N -1 1 324.180 3.847 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cnccc2C(F)(F)F)c1F ZINC001176663487 1035309198 /nfs/dbraw/zinc/30/91/98/1035309198.db2.gz GVEZUSFEGLYZFR-UHFFFAOYSA-N -1 1 308.181 3.967 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ccc(CO)cc2Cl)c1F ZINC001176672047 1035309929 /nfs/dbraw/zinc/30/99/29/1035309929.db2.gz GVAXPAWENHVSIV-UHFFFAOYSA-N -1 1 303.667 3.699 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ccccc2-n2ccnc2)c1F ZINC001176670580 1035310052 /nfs/dbraw/zinc/31/00/52/1035310052.db2.gz ZGBMOQKCYDGCEV-UHFFFAOYSA-N -1 1 305.259 3.739 20 0 DHADMM Nc1ccc(N(c2c(F)cc(F)c([O-])c2F)C2CCCC2)nc1 ZINC001176669026 1035310177 /nfs/dbraw/zinc/31/01/77/1035310177.db2.gz CKVCYVIDJMCRSY-UHFFFAOYSA-N -1 1 323.318 3.867 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ccc(-n3ccnc3)cc2)c1F ZINC001176669876 1035310475 /nfs/dbraw/zinc/31/04/75/1035310475.db2.gz NRRIFXKONYGZAQ-UHFFFAOYSA-N -1 1 305.259 3.739 20 0 DHADMM COc1ccc(F)c(Nc2c(F)cc(F)c([O-])c2F)c1F ZINC001176673349 1035311565 /nfs/dbraw/zinc/31/15/65/1035311565.db2.gz TVSIVUUDILVEJD-UHFFFAOYSA-N -1 1 305.202 3.840 20 0 DHADMM COCCOc1cccc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176672370 1035312276 /nfs/dbraw/zinc/31/22/76/1035312276.db2.gz IBVIJHCBWCUXBN-UHFFFAOYSA-N -1 1 313.275 3.578 20 0 DHADMM CCOC(=O)c1ccsc1Nc1c(F)cc(F)c([O-])c1F ZINC001176662397 1035316735 /nfs/dbraw/zinc/31/67/35/1035316735.db2.gz ODFPDKNYOVWOMF-UHFFFAOYSA-N -1 1 317.288 3.791 20 0 DHADMM Cc1cnc(Cl)c(CN[C@@H](C(=O)[O-])c2cccc(C)c2C)c1 ZINC000904006450 1035344421 /nfs/dbraw/zinc/34/44/21/1035344421.db2.gz WPBZURJACTWBLI-OAHLLOKOSA-N -1 1 318.804 3.576 20 0 DHADMM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1ccc(Cl)cn1 ZINC000904030941 1035347424 /nfs/dbraw/zinc/34/74/24/1035347424.db2.gz FBGSIBGGPYDDSF-MRXNPFEDSA-N -1 1 318.804 3.603 20 0 DHADMM C[C@H](N[C@H](c1cccs1)c1ccc2c(c1)CCCC2)C(=O)[O-] ZINC000904204124 1035385370 /nfs/dbraw/zinc/38/53/70/1035385370.db2.gz SWDLAKNJFNWPAC-SJCJKPOMSA-N -1 1 315.438 3.779 20 0 DHADMM O=c1cc(C2CC2)nc(SCc2cccc3cccnc32)[n-]1 ZINC000195083177 1035411384 /nfs/dbraw/zinc/41/13/84/1035411384.db2.gz ANLRLBBNGMPTLS-UHFFFAOYSA-N -1 1 309.394 3.900 20 0 DHADMM Cc1cccc(C)c1CN(C)C(=O)c1c(F)ccc([O-])c1F ZINC001179361328 1035476019 /nfs/dbraw/zinc/47/60/19/1035476019.db2.gz YQFYRMCHGWTXGE-UHFFFAOYSA-N -1 1 305.324 3.559 20 0 DHADMM COc1cnc(C=Cc2cccc(OC(C)(C)C)c2)[n-]c1=O ZINC000905077461 1035477813 /nfs/dbraw/zinc/47/78/13/1035477813.db2.gz WYRUZIVGMLPZHH-CMDGGOBGSA-N -1 1 300.358 3.539 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCCc2c(O)cccc21 ZINC000190818529 1035636486 /nfs/dbraw/zinc/63/64/86/1035636486.db2.gz YLNMRSIMZOMGJC-CYBMUJFWSA-N -1 1 317.772 3.810 20 0 DHADMM C/C(=C/c1ccccc1)CN1CCOc2c(cccc2C(=O)[O-])C1 ZINC000905741949 1035639159 /nfs/dbraw/zinc/63/91/59/1035639159.db2.gz XMABYUORMRNTCE-QINSGFPZSA-N -1 1 323.392 3.683 20 0 DHADMM Cc1cccnc1[C@@H](C)NC(=O)c1cc2ccccc2cc1[O-] ZINC001180701040 1035749105 /nfs/dbraw/zinc/74/91/05/1035749105.db2.gz HIOCSNIRACZVEA-CYBMUJFWSA-N -1 1 306.365 3.740 20 0 DHADMM Cc1cccc(C(C)(C)C)c1[N-]S(=O)(=O)c1ccccc1N ZINC001193935266 1035766357 /nfs/dbraw/zinc/76/63/57/1035766357.db2.gz WEYOJZOEARCJHX-UHFFFAOYSA-N -1 1 318.442 3.676 20 0 DHADMM CC(=O)c1ccc(-c2nc3ccc(Cl)cc3c(=O)[n-]2)c(F)c1 ZINC000539611896 1035794539 /nfs/dbraw/zinc/79/45/39/1035794539.db2.gz HJULVJTYQODKOF-UHFFFAOYSA-N -1 1 316.719 3.998 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)cc1F ZINC000195451467 1035899607 /nfs/dbraw/zinc/89/96/07/1035899607.db2.gz HUXWBMWDYREORB-UHFFFAOYSA-N -1 1 315.316 3.873 20 0 DHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc2ncsc2c1 ZINC001194603516 1035967234 /nfs/dbraw/zinc/96/72/34/1035967234.db2.gz XMJKKWMYXJMLBX-UHFFFAOYSA-N -1 1 318.423 3.714 20 0 DHADMM O=C(Nc1cccc2cc(O)ccc21)c1c[n-]c(C(F)(F)F)n1 ZINC001194783055 1036019424 /nfs/dbraw/zinc/01/94/24/1036019424.db2.gz BVSRFCDEMDPMHP-UHFFFAOYSA-N -1 1 321.258 3.540 20 0 DHADMM CC[C@@H](C)COC(=O)Nc1ccc([O-])c(Br)c1 ZINC001194800064 1036034391 /nfs/dbraw/zinc/03/43/91/1036034391.db2.gz DUJAQEUMBRBNNL-MRVPVSSYSA-N -1 1 302.168 3.749 20 0 DHADMM CC[C@@H](C)COC(=O)Nc1cccc([O-])c1Br ZINC001194811656 1036042814 /nfs/dbraw/zinc/04/28/14/1036042814.db2.gz NSSKRIDAWFDVER-MRVPVSSYSA-N -1 1 302.168 3.749 20 0 DHADMM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ncc(C)cc1[O-] ZINC000494817063 1036053402 /nfs/dbraw/zinc/05/34/02/1036053402.db2.gz BOVDARXOORRDRB-DLBZAZTESA-N -1 1 324.424 3.894 20 0 DHADMM O=C([N-]c1noc2cccnc21)c1sccc1C(F)(F)F ZINC001195199003 1036179155 /nfs/dbraw/zinc/17/91/55/1036179155.db2.gz WSJUXQOVDGORDA-UHFFFAOYSA-N -1 1 313.260 3.555 20 0 DHADMM CCCCOc1ccc(C(=O)Nc2ccc(Cl)nc2)c([O-])c1 ZINC001182295026 1036189351 /nfs/dbraw/zinc/18/93/51/1036189351.db2.gz WSOLVEZFPRKUEG-UHFFFAOYSA-N -1 1 320.776 3.872 20 0 DHADMM Cc1ccc([O-])c(C(=O)Nc2ccccc2Cc2ccccc2)n1 ZINC001195326305 1036205154 /nfs/dbraw/zinc/20/51/54/1036205154.db2.gz ODIXFRLSBWCAMV-UHFFFAOYSA-N -1 1 318.376 3.939 20 0 DHADMM Cc1cccc([C@@H](C)NC(=O)c2cc([O-])cnc2Cl)c1C ZINC001195315771 1036219795 /nfs/dbraw/zinc/21/97/95/1036219795.db2.gz SLIFVTJGSLXGTF-LLVKDONJSA-N -1 1 304.777 3.548 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1cccc(-c2csc(C)n2)c1 ZINC001195449387 1036246513 /nfs/dbraw/zinc/24/65/13/1036246513.db2.gz UTZJMEHCUDJHJD-UHFFFAOYSA-N -1 1 321.427 3.561 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1cccc(C(F)F)c1Cl ZINC001195493111 1036266643 /nfs/dbraw/zinc/26/66/43/1036266643.db2.gz VPAWECIRQUYBCH-UHFFFAOYSA-N -1 1 308.737 3.721 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1cc(F)c(Cl)cc1Cl ZINC001195486913 1036269445 /nfs/dbraw/zinc/26/94/45/1036269445.db2.gz MRNBGXKPQMGXQX-UHFFFAOYSA-N -1 1 311.165 3.575 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1cc(Cl)c(Cl)cc1C ZINC001195492928 1036269803 /nfs/dbraw/zinc/26/98/03/1036269803.db2.gz RIXFECIIMYSLQC-UHFFFAOYSA-N -1 1 307.202 3.745 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(O)cc2)c2ccccc12 ZINC001195802872 1036355203 /nfs/dbraw/zinc/35/52/03/1036355203.db2.gz PAYPBSYDJHNAOL-UHFFFAOYSA-N -1 1 313.378 3.655 20 0 DHADMM CC(C)Sc1ccccc1[N-]S(=O)(=O)c1ccc(O)cc1 ZINC001195802388 1036355310 /nfs/dbraw/zinc/35/53/10/1036355310.db2.gz AMYUEXPCGQTELB-UHFFFAOYSA-N -1 1 323.439 3.694 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1ccc(Cl)c2ncccc12 ZINC000669908816 1036395854 /nfs/dbraw/zinc/39/58/54/1036395854.db2.gz PYAMINXFVKUPOJ-UHFFFAOYSA-N -1 1 316.719 3.985 20 0 DHADMM Cc1cc(F)ccc1NC(=S)Nc1cc(F)c([O-])c(F)c1 ZINC001196122286 1036455627 /nfs/dbraw/zinc/45/56/27/1036455627.db2.gz HGTMHUAMMNSDPA-UHFFFAOYSA-N -1 1 312.316 3.927 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000908707486 1036486808 /nfs/dbraw/zinc/48/68/08/1036486808.db2.gz IXYMWIOQILZJAB-AEJSXWLSSA-N -1 1 310.191 3.529 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)[C@H]1C[C@H]1C1CCCC1 ZINC000908707529 1036487382 /nfs/dbraw/zinc/48/73/82/1036487382.db2.gz KFJVZSZLGPLKDV-QWRGUYRKSA-N -1 1 324.218 3.920 20 0 DHADMM CCCCSCC(=O)Nc1cccc([O-])c1Br ZINC000908713833 1036488616 /nfs/dbraw/zinc/48/86/16/1036488616.db2.gz DCTCGLYYPGEGCA-UHFFFAOYSA-N -1 1 318.236 3.627 20 0 DHADMM CC[C@H](C)[C@H](C)C(=O)Nc1cccc([O-])c1Br ZINC000908708969 1036489066 /nfs/dbraw/zinc/48/90/66/1036489066.db2.gz DKQVKIKASYHFNO-IUCAKERBSA-N -1 1 300.196 3.775 20 0 DHADMM O=C(C[C@@H]1C=CCCC1)Nc1cccc([O-])c1Br ZINC000908709417 1036490210 /nfs/dbraw/zinc/49/02/10/1036490210.db2.gz JSHZSOUCZFSKIM-SNVBAGLBSA-N -1 1 310.191 3.840 20 0 DHADMM CCC[C@@H](CC)C(=O)Nc1cccc([O-])c1Br ZINC000908716832 1036493873 /nfs/dbraw/zinc/49/38/73/1036493873.db2.gz BHGWMOKBXUAMKW-SECBINFHSA-N -1 1 300.196 3.920 20 0 DHADMM CC(=O)c1ccsc1[N-]C(=O)c1snc(Cl)c1Cl ZINC001196334607 1036506029 /nfs/dbraw/zinc/50/60/29/1036506029.db2.gz WVJYAOKLORIVFL-UHFFFAOYSA-N -1 1 321.210 3.966 20 0 DHADMM C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1[O-] ZINC001183054267 1036511888 /nfs/dbraw/zinc/51/18/88/1036511888.db2.gz JFRNBDLGNZXAOX-SECBINFHSA-N -1 1 309.337 3.790 20 0 DHADMM CCCc1ccc([N-]S(=O)(=O)c2ccc(COC)cc2)cc1 ZINC000774605418 1036544049 /nfs/dbraw/zinc/54/40/49/1036544049.db2.gz RNESZFPGWYIXSQ-UHFFFAOYSA-N -1 1 319.426 3.586 20 0 DHADMM CC(C)(C)c1ncc(C(=O)Nc2cc([O-])c(F)cc2F)s1 ZINC000909979180 1036729322 /nfs/dbraw/zinc/72/93/22/1036729322.db2.gz NYWYHYFOFAMWHV-UHFFFAOYSA-N -1 1 312.341 3.677 20 0 DHADMM CC(C)Cc1nc(C(=O)Nc2cc([O-])c(F)cc2F)cs1 ZINC000909979009 1036729883 /nfs/dbraw/zinc/72/98/83/1036729883.db2.gz MGNYNMZBZKYUIC-UHFFFAOYSA-N -1 1 312.341 3.578 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)[C@H]1C[C@]12CCc1ccccc12 ZINC000909982051 1036736495 /nfs/dbraw/zinc/73/64/95/1036736495.db2.gz CUHOMIYZIQCOIM-XIKOKIGWSA-N -1 1 315.319 3.513 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000909988472 1036741395 /nfs/dbraw/zinc/74/13/95/1036741395.db2.gz LVCSKBPLFLBVFX-HTQZYQBOSA-N -1 1 323.261 3.978 20 0 DHADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(SC)c1 ZINC000488263139 1036927442 /nfs/dbraw/zinc/92/74/42/1036927442.db2.gz HPGDYXCMEVDOSW-UHFFFAOYSA-N -1 1 307.440 3.772 20 0 DHADMM O=S(=O)([N-]c1ccc(OC2CCC2)c(F)c1)c1ccccc1 ZINC000175040424 1036983659 /nfs/dbraw/zinc/98/36/59/1036983659.db2.gz NXYLNJVHGHJBMB-UHFFFAOYSA-N -1 1 321.373 3.558 20 0 DHADMM Cc1ccc(C(=O)Nc2cc(F)cc(F)c2[O-])c(C2CC2)n1 ZINC000910986632 1037017815 /nfs/dbraw/zinc/01/78/15/1037017815.db2.gz IDVHWCJAQLAWCD-UHFFFAOYSA-N -1 1 304.296 3.504 20 0 DHADMM O=C(Nc1cc(F)cc(F)c1[O-])C1CCC(C(F)(F)F)CC1 ZINC000910993742 1037023516 /nfs/dbraw/zinc/02/35/16/1037023516.db2.gz QGPHROCRANZYBS-UHFFFAOYSA-N -1 1 323.261 3.978 20 0 DHADMM O=S(=O)(Nc1c(Cl)ccc([O-])c1Cl)c1ccsc1 ZINC001185383814 1037121080 /nfs/dbraw/zinc/12/10/80/1037121080.db2.gz HMSVZDIGAAFBND-UHFFFAOYSA-N -1 1 324.210 3.561 20 0 DHADMM CCOc1cccc([N-]S(=O)(=O)c2ccc3occc3c2)c1 ZINC001198858712 1037148314 /nfs/dbraw/zinc/14/83/14/1037148314.db2.gz GPHXSZZQHACVNQ-UHFFFAOYSA-N -1 1 317.366 3.632 20 0 DHADMM Cc1c(F)cc([N-]S(=O)(=O)c2cccc(F)c2C)cc1F ZINC001185829709 1037245196 /nfs/dbraw/zinc/24/51/96/1037245196.db2.gz XWUNXYZVTKIPJH-UHFFFAOYSA-N -1 1 315.316 3.522 20 0 DHADMM Cc1nc2cc(Cl)c(NC(=O)c3ccc([O-])cc3F)cc2o1 ZINC001186329334 1037373268 /nfs/dbraw/zinc/37/32/68/1037373268.db2.gz QPUUCGUZCOVENZ-UHFFFAOYSA-N -1 1 320.707 3.887 20 0 DHADMM Cc1ccccc1CC(C)(C)CNC(=O)c1ccc([O-])cc1F ZINC001186339529 1037378831 /nfs/dbraw/zinc/37/88/31/1037378831.db2.gz INBJJRZFRJJSLA-UHFFFAOYSA-N -1 1 315.388 3.838 20 0 DHADMM CC(C)(C)c1ccc(CNC(=O)c2ccc([O-])cc2F)cc1 ZINC001186337808 1037379076 /nfs/dbraw/zinc/37/90/76/1037379076.db2.gz SZGUINBYTQFZET-UHFFFAOYSA-N -1 1 301.361 3.759 20 0 DHADMM O=C(c1ncc2ccccc2c1[O-])N1CC=CC12CCCCC2 ZINC000912472246 1037403764 /nfs/dbraw/zinc/40/37/64/1037403764.db2.gz NTFAXTFPCWHLMC-UHFFFAOYSA-N -1 1 308.381 3.655 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])NC12CC3CC(CC(C3)C1)C2 ZINC001186684413 1037466312 /nfs/dbraw/zinc/46/63/12/1037466312.db2.gz SOMCLERAIITEIZ-UHFFFAOYSA-N -1 1 304.365 3.622 20 0 DHADMM CCCCCc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)n[nH]1 ZINC001151582376 1037491049 /nfs/dbraw/zinc/49/10/49/1037491049.db2.gz HLKRIIHUNSRULU-UHFFFAOYSA-N -1 1 307.781 3.754 20 0 DHADMM Cc1cc(NC(=S)Nc2cc(Cl)ncc2[O-])ccc1F ZINC001201029343 1037512399 /nfs/dbraw/zinc/51/23/99/1037512399.db2.gz ACLMLKCXKIMLLM-UHFFFAOYSA-N -1 1 311.769 3.697 20 0 DHADMM O=S(=O)([N-][C@@H]1CC=CCC1)c1cc(Cl)c(Cl)cc1F ZINC001201286187 1037584582 /nfs/dbraw/zinc/58/45/82/1037584582.db2.gz SAKHRMIQXJNAQI-MRVPVSSYSA-N -1 1 324.204 3.520 20 0 DHADMM CC[C@@H](O)[C@@H](C)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000912858414 1037628744 /nfs/dbraw/zinc/62/87/44/1037628744.db2.gz ODXISCRVGIZJMJ-YMTOWFKASA-N -1 1 307.777 3.544 20 0 DHADMM Cc1cc(C)c(C(=O)Nc2cc(C)cc(Br)c2[O-])o1 ZINC000182917007 1037679104 /nfs/dbraw/zinc/67/91/04/1037679104.db2.gz LMZKHBIUJWPBMD-UHFFFAOYSA-N -1 1 324.174 3.925 20 0 DHADMM CCCCc1nc(C)c(CC(=O)Nc2cccc(F)c2[O-])s1 ZINC000913159833 1037738382 /nfs/dbraw/zinc/73/83/82/1037738382.db2.gz XLSXCCCLRGXPPS-UHFFFAOYSA-N -1 1 322.405 3.820 20 0 DHADMM Cc1[nH]c2c(cccc2NC(=O)c2ncc(C(F)(F)F)[n-]2)c1C ZINC001188289491 1037855614 /nfs/dbraw/zinc/85/56/14/1037855614.db2.gz XVEYVZLVMBOWDW-UHFFFAOYSA-N -1 1 322.290 3.779 20 0 DHADMM Cc1[nH]c2c(cccc2NC(=O)c2nc(C(F)(F)F)c[n-]2)c1C ZINC001188289491 1037855634 /nfs/dbraw/zinc/85/56/34/1037855634.db2.gz XVEYVZLVMBOWDW-UHFFFAOYSA-N -1 1 322.290 3.779 20 0 DHADMM O=S(=O)([N-]c1ccc(Cl)c(F)c1Cl)c1ccoc1 ZINC001188610146 1037931017 /nfs/dbraw/zinc/93/10/17/1037931017.db2.gz HGZKHTCRJYDDOF-UHFFFAOYSA-N -1 1 310.133 3.526 20 0 DHADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc([C@H](C)OC)c1 ZINC000187401406 1037964338 /nfs/dbraw/zinc/96/43/38/1037964338.db2.gz ITVDHSALZCONPF-ZDUSSCGKSA-N -1 1 319.426 3.757 20 0 DHADMM CCOc1ccccc1NC(=O)Nc1cc(F)c(F)cc1[O-] ZINC001202148026 1038062157 /nfs/dbraw/zinc/06/21/57/1038062157.db2.gz OVMSTPDGCGWLKX-UHFFFAOYSA-N -1 1 308.284 3.713 20 0 DHADMM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)CC1 ZINC001189320762 1038125760 /nfs/dbraw/zinc/12/57/60/1038125760.db2.gz JBDNFMOAUOEGFC-PWSUYJOCSA-N -1 1 319.829 3.726 20 0 DHADMM O=c1cc(C(F)F)nc(S[C@H]2CCCc3cccnc32)[n-]1 ZINC001189476453 1038154879 /nfs/dbraw/zinc/15/48/79/1038154879.db2.gz LWCFVMNSPPYOCK-JTQLQIEISA-N -1 1 309.341 3.685 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])c1ccc(Oc2cccnc2)cc1 ZINC001151771349 1038172518 /nfs/dbraw/zinc/17/25/18/1038172518.db2.gz HKKBESDCWFVYRS-UHFFFAOYSA-N -1 1 324.311 3.971 20 0 DHADMM O=C(Nc1ccccc1[S-])c1ccc(CN2CCCCC2)o1 ZINC001189746978 1038203318 /nfs/dbraw/zinc/20/33/18/1038203318.db2.gz ZHZFLZWZHGMFLI-UHFFFAOYSA-N -1 1 316.426 3.807 20 0 DHADMM CCOc1cc(C(=O)Nc2cccc(OC)c2)cc(Cl)c1[O-] ZINC000192981965 1038203491 /nfs/dbraw/zinc/20/34/91/1038203491.db2.gz QGJPVXJSRVFEQM-UHFFFAOYSA-N -1 1 321.760 3.705 20 0 DHADMM CCc1cccc(C)c1NC(=O)Nc1cc(Cl)ncc1[O-] ZINC001189949080 1038237476 /nfs/dbraw/zinc/23/74/76/1038237476.db2.gz BOKUSAYZVRDZIA-UHFFFAOYSA-N -1 1 305.765 3.955 20 0 DHADMM COc1cc([O-])c(C(=O)Nc2ccccc2C(F)F)c(OC)c1 ZINC001190138406 1038265897 /nfs/dbraw/zinc/26/58/97/1038265897.db2.gz SKVZGDYJAGOGRC-UHFFFAOYSA-N -1 1 323.295 3.599 20 0 DHADMM O=c1cc(-c2ccccc2)nc(SCCc2cscn2)[n-]1 ZINC001190211071 1038282011 /nfs/dbraw/zinc/28/20/11/1038282011.db2.gz RGVGPQRKSXNCNG-UHFFFAOYSA-N -1 1 315.423 3.641 20 0 DHADMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)C1CCCC1 ZINC001190275078 1038287647 /nfs/dbraw/zinc/28/76/47/1038287647.db2.gz VVHYVOKXJBFWAD-CYBMUJFWSA-N -1 1 319.829 3.726 20 0 DHADMM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1 ZINC001190499579 1038325591 /nfs/dbraw/zinc/32/55/91/1038325591.db2.gz DQPOPCBUQHQRRF-UHFFFAOYSA-N -1 1 305.374 3.812 20 0 DHADMM Cc1cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc(F)c1F ZINC001190513052 1038332520 /nfs/dbraw/zinc/33/25/20/1038332520.db2.gz YATRPPQFORVEKW-UHFFFAOYSA-N -1 1 323.364 3.951 20 0 DHADMM O=S(=O)([N-]c1ccc(C2CCCCC2)cc1)c1ccncc1 ZINC001190846474 1038395573 /nfs/dbraw/zinc/39/55/73/1038395573.db2.gz MTEWDHNBZIMREL-UHFFFAOYSA-N -1 1 316.426 3.930 20 0 DHADMM O=S(=O)([N-]c1ccc(-c2ccsc2)cc1)c1ccncc1 ZINC001190897625 1038402410 /nfs/dbraw/zinc/40/24/10/1038402410.db2.gz HZVWIYGOMSGBCB-UHFFFAOYSA-N -1 1 316.407 3.611 20 0 DHADMM CCCCc1ccc(S(=O)(=O)[N-]c2ccc(C)nc2)cc1 ZINC001191224087 1038471543 /nfs/dbraw/zinc/47/15/43/1038471543.db2.gz LYZMAQOFWVZNBX-UHFFFAOYSA-N -1 1 304.415 3.533 20 0 DHADMM COc1cc(C(=O)N[C@H](C)c2ccsc2)cc(Cl)c1[O-] ZINC000669918860 1038558413 /nfs/dbraw/zinc/55/84/13/1038558413.db2.gz MVTLZAAVLCAFDH-MRVPVSSYSA-N -1 1 311.790 3.607 20 0 DHADMM CCc1ncsc1NC(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192313339 1038624708 /nfs/dbraw/zinc/62/47/08/1038624708.db2.gz BHAWETBXAXYBEC-UHFFFAOYSA-N -1 1 304.415 3.961 20 0 DHADMM Cc1[nH]nc2ncc(NC(=O)c3ccc(C(C)(C)C)cc3[O-])cc12 ZINC001192313612 1038625524 /nfs/dbraw/zinc/62/55/24/1038625524.db2.gz FDCVOOMTGWLOJK-UHFFFAOYSA-N -1 1 324.384 3.522 20 0 DHADMM O=C(Nc1cccc2cc(O)ccc21)c1cc([O-])cc(F)c1F ZINC001192670635 1038689942 /nfs/dbraw/zinc/68/99/42/1038689942.db2.gz LHPJCQLHVFMKIZ-UHFFFAOYSA-N -1 1 315.275 3.782 20 0 DHADMM O=C(Nc1cc(Cl)cc2ncoc21)c1cc([O-])cc(F)c1F ZINC001192670015 1038690117 /nfs/dbraw/zinc/69/01/17/1038690117.db2.gz CBJUZAACJUJEMA-UHFFFAOYSA-N -1 1 324.670 3.717 20 0 DHADMM CN(C(=O)c1cc([O-])cc(F)c1F)C(C)(C)Cc1ccccc1 ZINC001192665911 1038693005 /nfs/dbraw/zinc/69/30/05/1038693005.db2.gz XNQUJBCSZJSXOK-UHFFFAOYSA-N -1 1 319.351 3.764 20 0 DHADMM COc1ccc([C@H](C)N(C)C(=O)c2cc([O-])cc(F)c2F)cc1 ZINC001192663753 1038693626 /nfs/dbraw/zinc/69/36/26/1038693626.db2.gz HHKXDYAUQLOUQU-JTQLQIEISA-N -1 1 321.323 3.512 20 0 DHADMM COc1cccc([C@H](C)NC(=O)Nc2cc(F)c([O-])cc2F)c1 ZINC001192885552 1038710671 /nfs/dbraw/zinc/71/06/71/1038710671.db2.gz CXNOYZQNOAGZCN-VIFPVBQESA-N -1 1 322.311 3.562 20 0 DHADMM O=C(NCCSC(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000225816343 1039214158 /nfs/dbraw/zinc/21/41/58/1039214158.db2.gz CMYBXEXUGBQOHH-UHFFFAOYSA-N -1 1 315.316 3.528 20 0 DHADMM CC1(C)CN(C(=O)c2cc3ccccc3cc2[O-])C(C)(C)CO1 ZINC000604238489 1039413299 /nfs/dbraw/zinc/41/32/99/1039413299.db2.gz IZRSPZXMSAIMIJ-UHFFFAOYSA-N -1 1 313.397 3.575 20 0 DHADMM Cc1ccc(C)c(C(=O)CCC(=O)Nc2c([O-])cccc2F)c1 ZINC000605440670 1039684825 /nfs/dbraw/zinc/68/48/25/1039684825.db2.gz YIVNVDMCSFBMCT-UHFFFAOYSA-N -1 1 315.344 3.750 20 0 DHADMM C[C@@]1(CO)CCCN(Cc2ccc(Cl)c([O-])c2Cl)CC1 ZINC001232623970 1039865467 /nfs/dbraw/zinc/86/54/67/1039865467.db2.gz AAKXYECKMGXAQM-OAHLLOKOSA-N -1 1 318.244 3.684 20 0 DHADMM CC[C@@]1(C(=O)[O-])CCCN(Cc2csc(C(C)(C)C)n2)C1 ZINC000062877420 1040024686 /nfs/dbraw/zinc/02/46/86/1040024686.db2.gz LCULSYGFYHCBDY-MRXNPFEDSA-N -1 1 310.463 3.517 20 0 DHADMM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000607615665 1040207000 /nfs/dbraw/zinc/20/70/00/1040207000.db2.gz JVWNNHBHKBUDIF-UHFFFAOYSA-N -1 1 323.389 3.804 20 0 DHADMM CSCC1(Cc2noc(-c3cc(SC)ccc3[O-])n2)CC1 ZINC000596607167 1040510622 /nfs/dbraw/zinc/51/06/22/1040510622.db2.gz IUBULDLBUPDSCG-UHFFFAOYSA-N -1 1 322.455 3.850 20 0 DHADMM COc1cccc(-c2ccc(C[N-]C(=O)C(F)(F)F)cc2)c1 ZINC000174418943 1040636667 /nfs/dbraw/zinc/63/66/67/1040636667.db2.gz NDNXWQWEMLYJEM-UHFFFAOYSA-N -1 1 309.287 3.541 20 0 DHADMM CC[C@H]1CCc2nc(NC(=O)c3ccc([O-])cc3F)sc2C1 ZINC000181154487 334962246 /nfs/dbraw/zinc/96/22/46/334962246.db2.gz YFPZMBYUFSSDRZ-VIFPVBQESA-N -1 1 320.389 3.755 20 0 DHADMM CCOc1cc(C(=O)N[C@H]2CCCC2(C)C)cc(Cl)c1[O-] ZINC000186852965 200021689 /nfs/dbraw/zinc/02/16/89/200021689.db2.gz SUIRROQLKYELRJ-ZDUSSCGKSA-N -1 1 311.809 3.753 20 0 DHADMM C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@H](C(=O)[O-])C1 ZINC000006763495 181385097 /nfs/dbraw/zinc/38/50/97/181385097.db2.gz FNOVYJWYCDHZDM-ONGXEEELSA-N -1 1 302.201 3.851 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCCC[C@@H]1c1ncc[nH]1 ZINC000094071851 193343252 /nfs/dbraw/zinc/34/32/52/193343252.db2.gz MPECAVXJCYSTQZ-MRXNPFEDSA-N -1 1 321.380 3.636 20 0 DHADMM O=C([O-])[C@H]1C[C@H](NCc2sccc2Cl)c2ccccc21 ZINC000417630467 335018910 /nfs/dbraw/zinc/01/89/10/335018910.db2.gz RBOHHKDDUXRBNN-AAEUAGOBSA-N -1 1 307.802 3.804 20 0 DHADMM CCC[C@H](C)N(C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000563816782 335028564 /nfs/dbraw/zinc/02/85/64/335028564.db2.gz UGMCVFJUTJNZKA-LBPRGKRZSA-N -1 1 302.374 3.660 20 0 DHADMM [O-]c1ccc(-c2noc(CCCC3CCOCC3)n2)c(Cl)c1 ZINC000289078965 131356189 /nfs/dbraw/zinc/35/61/89/131356189.db2.gz MWENKUPAQRCOOP-UHFFFAOYSA-N -1 1 322.792 3.845 20 0 DHADMM O=C(N[C@H]1CCC[C@H]1c1ccccc1)c1c(F)ccc([O-])c1F ZINC000289391808 131381627 /nfs/dbraw/zinc/38/16/27/131381627.db2.gz NQVMVLUAMITSTK-JSGCOSHPSA-N -1 1 317.335 3.737 20 0 DHADMM O=C([O-])c1ccc(CNCc2ccc(Cl)cc2)nc1C1CC1 ZINC000417707032 335068515 /nfs/dbraw/zinc/06/85/15/335068515.db2.gz QBMMPWXCIYUAQH-UHFFFAOYSA-N -1 1 316.788 3.600 20 0 DHADMM Cc1cc2cc(CN[C@@H](CC3CCC3)C(=O)[O-])oc2cc1C ZINC000417714409 335070207 /nfs/dbraw/zinc/07/02/07/335070207.db2.gz ZRYLNGGQQMVOPG-INIZCTEOSA-N -1 1 301.386 3.783 20 0 DHADMM COc1ccccc1[C@@H]([N-]c1nnc(C(C)C)o1)c1ccccn1 ZINC000516950931 435563038 /nfs/dbraw/zinc/56/30/38/435563038.db2.gz BRSCXCSTGFYHBT-MRXNPFEDSA-N -1 1 324.384 3.798 20 0 DHADMM Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)C2 ZINC000173380229 332829457 /nfs/dbraw/zinc/82/94/57/332829457.db2.gz NQIFCULCBPIEBA-MRXNPFEDSA-N -1 1 317.772 3.605 20 0 DHADMM CCc1nc(SC[C@H]2CCc3ccccc32)[n-]c(=O)c1C ZINC000574927937 332851648 /nfs/dbraw/zinc/85/16/48/332851648.db2.gz BWKDZCUPYQBBGL-CYBMUJFWSA-N -1 1 300.427 3.875 20 0 DHADMM COc1ccc(C(C)(C)C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000182867817 331535830 /nfs/dbraw/zinc/53/58/30/331535830.db2.gz IVLPRADZUBTBFX-UHFFFAOYSA-N -1 1 319.788 3.971 20 0 DHADMM C[C@H]1CCN(C(=O)c2cc(F)ccc2[O-])[C@@H](c2ccco2)C1 ZINC000091990862 332099718 /nfs/dbraw/zinc/09/97/18/332099718.db2.gz JIHLFAAKDQOSOK-SMDDNHRTSA-N -1 1 303.333 3.738 20 0 DHADMM C[C@@H](c1cccc(O)c1)N(C)C(=O)c1ccc(Cl)cc1[O-] ZINC000092602233 332135898 /nfs/dbraw/zinc/13/58/98/332135898.db2.gz YZMWIPMNHQUFTR-JTQLQIEISA-N -1 1 305.761 3.584 20 0 DHADMM CC(C)Oc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000426806243 332155770 /nfs/dbraw/zinc/15/57/70/332155770.db2.gz IYAGHFRFKGPWBS-QGZVFWFLSA-N -1 1 317.360 3.528 20 0 DHADMM COc1cc(C(=O)NCC2(C3CCC3)CCC2)cc(Cl)c1[O-] ZINC000560478543 332344181 /nfs/dbraw/zinc/34/41/81/332344181.db2.gz BJONHVJAHNWZTN-UHFFFAOYSA-N -1 1 323.820 3.754 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1coc(-c2ccccc2)n1 ZINC000150718857 332407933 /nfs/dbraw/zinc/40/79/33/332407933.db2.gz CGLGEKHLISMUMI-UHFFFAOYSA-N -1 1 314.728 3.953 20 0 DHADMM O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)c1ccc([O-])cc1F ZINC000181227965 333029698 /nfs/dbraw/zinc/02/96/98/333029698.db2.gz WNNXPLCYHASISK-KDOFPFPSSA-N -1 1 313.372 3.673 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2c(C)ccnc2C)cc1CC ZINC000460551044 333103609 /nfs/dbraw/zinc/10/36/09/333103609.db2.gz LRNYXUBTKOSISI-UHFFFAOYSA-N -1 1 318.442 3.624 20 0 DHADMM CC(C)[C@H](CC1CCCC1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000525748918 333219788 /nfs/dbraw/zinc/21/97/88/333219788.db2.gz JLMPCNIQQIKTBO-JTQLQIEISA-N -1 1 318.343 3.615 20 0 DHADMM CCCc1cc(=O)[n-]c(SCc2ncc(C(C)(C)C)o2)n1 ZINC000497661791 333275401 /nfs/dbraw/zinc/27/54/01/333275401.db2.gz XYMPCFDKMDXXDB-UHFFFAOYSA-N -1 1 307.419 3.713 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1csc(-c2ccccc2)n1 ZINC000533971196 333552431 /nfs/dbraw/zinc/55/24/31/333552431.db2.gz JVXXHYGVIWZYLH-UHFFFAOYSA-N -1 1 314.341 3.907 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc3ccncc32)cc1C ZINC000531780432 333557743 /nfs/dbraw/zinc/55/77/43/333557743.db2.gz FGMKSPMWDKMPHB-UHFFFAOYSA-N -1 1 312.394 3.652 20 0 DHADMM Cc1cnc(SCCCOc2ccc(Cl)cc2)[n-]c1=O ZINC000571106969 333662159 /nfs/dbraw/zinc/66/21/59/333662159.db2.gz UCNUJQXAHMOYPF-UHFFFAOYSA-N -1 1 310.806 3.705 20 0 DHADMM Cc1cc(C)c([N-]S(=O)(=O)c2cc(Cl)ccc2C)c(C)n1 ZINC000414459122 333986797 /nfs/dbraw/zinc/98/67/97/333986797.db2.gz OEMAHJAWQUAIPD-UHFFFAOYSA-N -1 1 324.833 3.769 20 0 DHADMM Cn1ccc(/C=C\c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000436872766 334013806 /nfs/dbraw/zinc/01/38/06/334013806.db2.gz NMXACDRWGDYDOI-DJWKRKHSSA-N -1 1 301.733 3.605 20 0 DHADMM CC[C@H](C)N(CC(=O)[O-])Cc1cnc(-c2cccs2)s1 ZINC000414677297 334066766 /nfs/dbraw/zinc/06/67/66/334066766.db2.gz IGNDYOQTBIXIIX-JTQLQIEISA-N -1 1 310.444 3.557 20 0 DHADMM COc1cc(C(=O)N2CCCC23CCCCC3)cc(Cl)c1[O-] ZINC000443060357 338442607 /nfs/dbraw/zinc/44/26/07/338442607.db2.gz OWRDQGFRFHFHSU-UHFFFAOYSA-N -1 1 323.820 3.993 20 0 DHADMM O=C(CCCOCc1ccccc1)Nc1ccc([O-])c(Cl)c1 ZINC000111667934 334352866 /nfs/dbraw/zinc/35/28/66/334352866.db2.gz GSEYFROIPQXUKE-UHFFFAOYSA-N -1 1 319.788 3.981 20 0 DHADMM CC[C@@H](C)CN(CC)C(=O)c1ccc(Br)cc1[O-] ZINC000093263907 334679588 /nfs/dbraw/zinc/67/95/88/334679588.db2.gz SLWIDKMJNAJBAQ-SNVBAGLBSA-N -1 1 314.223 3.663 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(OC(F)F)c(F)c1 ZINC000343890325 335203824 /nfs/dbraw/zinc/20/38/24/335203824.db2.gz TXIUWWXINHPVMA-UHFFFAOYSA-N -1 1 315.222 3.524 20 0 DHADMM O=C([N-]c1nnc(/C=C/c2ccco2)s1)c1sccc1F ZINC000344490846 335256424 /nfs/dbraw/zinc/25/64/24/335256424.db2.gz PHZZPUMZDILWRC-ONEGZZNKSA-N -1 1 321.358 3.754 20 0 DHADMM Cc1cccc([C@H]2CCCCN2C(=O)c2cncc([O-])c2)c1C ZINC000346394976 335404104 /nfs/dbraw/zinc/40/41/04/335404104.db2.gz WLVPLGXONMPMHG-GOSISDBHSA-N -1 1 310.397 3.771 20 0 DHADMM Cc1cccc(C2(c3nc(-c4ccc([O-])c(F)c4)no3)CC2)c1 ZINC000445479580 338496245 /nfs/dbraw/zinc/49/62/45/338496245.db2.gz JUHJIBUEEZUOLU-UHFFFAOYSA-N -1 1 310.328 3.970 20 0 DHADMM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000094158767 335721599 /nfs/dbraw/zinc/72/15/99/335721599.db2.gz VJGICXBTCUDEGE-LLVKDONJSA-N -1 1 321.779 3.888 20 0 DHADMM CCCc1ncc(-c2nc(-c3ccc([O-])c(F)c3)no2)s1 ZINC000445481479 338496386 /nfs/dbraw/zinc/49/63/86/338496386.db2.gz PKPOWGPLLYOMTC-UHFFFAOYSA-N -1 1 305.334 3.657 20 0 DHADMM [O-]c1ccc(-c2noc(COc3ccc(Cl)cc3)n2)cc1F ZINC000445481596 338496515 /nfs/dbraw/zinc/49/65/15/338496515.db2.gz MJRCGMYKGGKFIX-UHFFFAOYSA-N -1 1 320.707 3.814 20 0 DHADMM [O-]c1ccc(F)cc1-c1nc(Cc2nccc3ccccc32)no1 ZINC000445509370 338497635 /nfs/dbraw/zinc/49/76/35/338497635.db2.gz RYTOCLCLBPIICH-UHFFFAOYSA-N -1 1 321.311 3.720 20 0 DHADMM O=C(CCSCc1ccccc1)Nc1ccc(F)cc1[O-] ZINC000350699517 335773246 /nfs/dbraw/zinc/77/32/46/335773246.db2.gz GZVNOZZYJGFWOU-UHFFFAOYSA-N -1 1 305.374 3.793 20 0 DHADMM COc1ccccc1[C@@H]1CC[N@H+](Cc2c(F)ccc(O)c2F)C1 ZINC000351645124 336054938 /nfs/dbraw/zinc/05/49/38/336054938.db2.gz VEOHTRURKLOYBI-GFCCVEGCSA-N -1 1 319.351 3.669 20 0 DHADMM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2ncc(C)cc2[O-])cc1 ZINC000331832007 336149941 /nfs/dbraw/zinc/14/99/41/336149941.db2.gz DZAWVUHABVLTGA-IAGOWNOFSA-N -1 1 324.424 3.812 20 0 DHADMM Cc1ccc(C)c([C@H]2CCCN2C(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000331901025 336152223 /nfs/dbraw/zinc/15/22/23/336152223.db2.gz NLJGFLFBBKGCDN-GOSISDBHSA-N -1 1 323.392 3.555 20 0 DHADMM CCc1ccc([C@@H]2CCCCN2C(=O)c2ncc(C)cc2[O-])o1 ZINC000331978889 336154970 /nfs/dbraw/zinc/15/49/70/336154970.db2.gz XPDNYGOCAOROOU-AWEZNQCLSA-N -1 1 314.385 3.618 20 0 DHADMM COc1cccc(-c2noc([N-][C@@H](C)c3ncc(C)s3)n2)c1 ZINC000301550738 336314221 /nfs/dbraw/zinc/31/42/21/336314221.db2.gz MEVGWSMAAAXODF-JTQLQIEISA-N -1 1 316.386 3.683 20 0 DHADMM C[C@@H](c1ccco1)N(C)CCOc1ccc(C(=O)[O-])cc1Cl ZINC000514608714 336386047 /nfs/dbraw/zinc/38/60/47/336386047.db2.gz XJMOAVSBGTWCHQ-NSHDSACASA-N -1 1 323.776 3.703 20 0 DHADMM Cc1cccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1C ZINC000353681010 336434531 /nfs/dbraw/zinc/43/45/31/336434531.db2.gz UNCZMJZJZQTECT-UHFFFAOYSA-N -1 1 312.394 3.652 20 0 DHADMM O=C(Nc1ccc2c(c1)C(=O)CCC2)c1cc([O-])ccc1Cl ZINC000354859731 336485268 /nfs/dbraw/zinc/48/52/68/336485268.db2.gz ZWQUXUWEWFZNHA-UHFFFAOYSA-N -1 1 315.756 3.817 20 0 DHADMM CCC1(Cc2ccccc2)CCN(C(=O)c2cncc([O-])c2)CC1 ZINC000355497169 336511877 /nfs/dbraw/zinc/51/18/77/336511877.db2.gz IFXDKHJYGMPUDI-UHFFFAOYSA-N -1 1 324.424 3.662 20 0 DHADMM CCc1ccc([C@@H]2CCCCCN2C(=O)c2ncccc2[O-])o1 ZINC000358614557 336636811 /nfs/dbraw/zinc/63/68/11/336636811.db2.gz ISRXKDKDBZDHDE-AWEZNQCLSA-N -1 1 314.385 3.700 20 0 DHADMM COc1cc(C(=O)N(C)C2CCCCCC2)cc(Cl)c1[O-] ZINC000359133684 336659416 /nfs/dbraw/zinc/65/94/16/336659416.db2.gz ZRWURZHIYWJPHD-UHFFFAOYSA-N -1 1 311.809 3.849 20 0 DHADMM COc1cc(-c2nc(-c3cccs3)no2)cc(Cl)c1[O-] ZINC000443109275 336716790 /nfs/dbraw/zinc/71/67/90/336716790.db2.gz YEBCTWGOPIKOSI-UHFFFAOYSA-N -1 1 308.746 3.833 20 0 DHADMM C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000117991806 336861523 /nfs/dbraw/zinc/86/15/23/336861523.db2.gz JZHBMIPBAHIWKK-BJOHPYRUSA-N -1 1 303.745 3.549 20 0 DHADMM COC(=O)c1c[n-]c(S[C@H]2CCCc3ccc(F)cc32)n1 ZINC000193559461 337078385 /nfs/dbraw/zinc/07/83/85/337078385.db2.gz XWWLSDORQQLGBT-ZDUSSCGKSA-N -1 1 306.362 3.505 20 0 DHADMM Cc1cccc(C)c1CS(=O)(=O)[N-]c1cccc(C2CC2)n1 ZINC000583184837 337259769 /nfs/dbraw/zinc/25/97/69/337259769.db2.gz MDHRPAFWPGTOMY-UHFFFAOYSA-N -1 1 316.426 3.518 20 0 DHADMM CCOc1cc(C(=O)N2CC[C@@H](C)[C@@H](C)C2)cc(Cl)c1[O-] ZINC000186981611 337262026 /nfs/dbraw/zinc/26/20/26/337262026.db2.gz QWQFQLKUZJMXHK-MNOVXSKESA-N -1 1 311.809 3.562 20 0 DHADMM COC(=O)c1c[n-]c(SCc2csc(C3CCCC3)n2)n1 ZINC000187599502 337267158 /nfs/dbraw/zinc/26/71/58/337267158.db2.gz HEWWBVDMDMXCCC-UHFFFAOYSA-N -1 1 323.443 3.603 20 0 DHADMM Cc1cc(CN(Cc2ccc(F)cc2)C2CC2)oc1C(=O)[O-] ZINC000583818137 337338538 /nfs/dbraw/zinc/33/85/38/337338538.db2.gz OMNSGUWIEJPLMA-UHFFFAOYSA-N -1 1 303.333 3.590 20 0 DHADMM C[C@@]1(C(=O)[O-])CCCN(Cc2nc(C3CCCCC3)cs2)C1 ZINC000584475188 337346244 /nfs/dbraw/zinc/34/62/44/337346244.db2.gz XBBPBCQAGBLUHR-QGZVFWFLSA-N -1 1 322.474 3.878 20 0 DHADMM O=C([O-])c1ccc(CN[C@@H]2CCCOc3c(F)cccc32)cc1 ZINC000263404037 337628025 /nfs/dbraw/zinc/62/80/25/337628025.db2.gz JCTKWESBAWJJTL-MRXNPFEDSA-N -1 1 315.344 3.527 20 0 DHADMM O=C([O-])c1cccc(CN[C@@H]2CCCOc3ccc(F)cc32)c1 ZINC000263444113 337629355 /nfs/dbraw/zinc/62/93/55/337629355.db2.gz FKDIKYXIZYSBGT-MRXNPFEDSA-N -1 1 315.344 3.527 20 0 DHADMM O=C([O-])c1ccc(CN[C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC000263490456 337630400 /nfs/dbraw/zinc/63/04/00/337630400.db2.gz QYGWKMRKMRIFLZ-MRXNPFEDSA-N -1 1 315.344 3.527 20 0 DHADMM CC1(C)[C@H](c2ccccc2)CCN1C(=O)c1ccc([O-])cc1F ZINC000422065658 337668784 /nfs/dbraw/zinc/66/87/84/337668784.db2.gz LKOCAFMWVXRYPK-INIZCTEOSA-N -1 1 313.372 3.940 20 0 DHADMM Cc1cccc(OCc2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445444860 337840337 /nfs/dbraw/zinc/84/03/37/337840337.db2.gz HHIHJXKSGPDJDY-UHFFFAOYSA-N -1 1 316.744 3.983 20 0 DHADMM CCOc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)c(C)c1 ZINC000055663356 337848959 /nfs/dbraw/zinc/84/89/59/337848959.db2.gz UZJXYVRKERODNT-UHFFFAOYSA-N -1 1 323.389 3.642 20 0 DHADMM [O-]c1ccc(-c2noc(C3(c4ccccc4F)CC3)n2)c(F)c1 ZINC000445455455 338017319 /nfs/dbraw/zinc/01/73/19/338017319.db2.gz KNMZEWYOTOSQQI-UHFFFAOYSA-N -1 1 314.291 3.800 20 0 DHADMM COc1cc(-c2nc(-c3ccc([O-])cc3F)no2)ccc1C ZINC000445455557 338017321 /nfs/dbraw/zinc/01/73/21/338017321.db2.gz DYXFLVRHKZTPIT-UHFFFAOYSA-N -1 1 300.289 3.565 20 0 DHADMM CCOc1ccccc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000445456900 338017565 /nfs/dbraw/zinc/01/75/65/338017565.db2.gz WJNSNMYRIIPBTE-UHFFFAOYSA-N -1 1 300.289 3.647 20 0 DHADMM CCN(Cc1ccc2ccccc2c1)C(=O)c1ncc(C)cc1[O-] ZINC000426432396 338032076 /nfs/dbraw/zinc/03/20/76/338032076.db2.gz XKQAARUJDVGOAC-UHFFFAOYSA-N -1 1 320.392 3.911 20 0 DHADMM CCc1cccc(Cl)c1CNCc1ccc(C(=O)[O-])cc1 ZINC000426697205 338038357 /nfs/dbraw/zinc/03/83/57/338038357.db2.gz SNQCXTQBILHHHO-UHFFFAOYSA-N -1 1 303.789 3.890 20 0 DHADMM O=C([O-])[C@H](NC/C=C\c1ccc(F)cc1)c1c(F)cccc1F ZINC000426733828 338039816 /nfs/dbraw/zinc/03/98/16/338039816.db2.gz OFPVNQZHQGCTCF-RXYHWBRQSA-N -1 1 321.298 3.533 20 0 DHADMM Cc1nc2ccc(C(=O)Nc3ccc(F)cc3[O-])cc2s1 ZINC000431893843 338141101 /nfs/dbraw/zinc/14/11/01/338141101.db2.gz JULUNCHCKQJNJI-UHFFFAOYSA-N -1 1 302.330 3.702 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)cc1 ZINC000432620668 338161069 /nfs/dbraw/zinc/16/10/69/338161069.db2.gz STAHWJSGOLXXTB-UHFFFAOYSA-N -1 1 300.383 3.531 20 0 DHADMM COC(=O)c1c[n-]c(SCc2cccc(Cl)c2Cl)n1 ZINC000432665721 338161869 /nfs/dbraw/zinc/16/18/69/338161869.db2.gz QISGCHWTJAZWSN-UHFFFAOYSA-N -1 1 317.197 3.795 20 0 DHADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(SC)cc2)c1 ZINC000433805900 338202572 /nfs/dbraw/zinc/20/25/72/338202572.db2.gz ZNUUCIYMSDLTSK-UHFFFAOYSA-N -1 1 307.440 3.772 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cn1 ZINC000435576052 338242483 /nfs/dbraw/zinc/24/24/83/338242483.db2.gz UOKOWYKYLLPVRX-UHFFFAOYSA-N -1 1 322.368 3.553 20 0 DHADMM CSc1ccc2nc(-c3n[nH]c4cc(C(=O)[O-])ccc43)[nH]c2c1 ZINC000435686419 338245237 /nfs/dbraw/zinc/24/52/37/338245237.db2.gz USXAEBWJDAGQPG-UHFFFAOYSA-N -1 1 324.365 3.526 20 0 DHADMM CSc1ccc2[nH]c(-c3[nH]nc4cc(C(=O)[O-])ccc43)nc2c1 ZINC000435686419 338245238 /nfs/dbraw/zinc/24/52/38/338245238.db2.gz USXAEBWJDAGQPG-UHFFFAOYSA-N -1 1 324.365 3.526 20 0 DHADMM COc1cc(C)c([N-]S(=O)(=O)c2cccc(F)c2C)cc1C ZINC000435727050 338246343 /nfs/dbraw/zinc/24/63/43/338246343.db2.gz CSVYQVZMFCTTQQ-UHFFFAOYSA-N -1 1 323.389 3.560 20 0 DHADMM CCC(CC)n1ccc(CSc2nc(C3CC3)cc(=O)[n-]2)n1 ZINC000436247117 338263332 /nfs/dbraw/zinc/26/33/32/338263332.db2.gz SDKGPSYNNBTSOL-UHFFFAOYSA-N -1 1 318.446 3.910 20 0 DHADMM CSc1ccc([C@H](C)NC(=O)c2c([O-])cccc2F)cc1 ZINC000436495745 338274293 /nfs/dbraw/zinc/27/42/93/338274293.db2.gz OOKNOKMHPWVIGG-JTQLQIEISA-N -1 1 305.374 3.744 20 0 DHADMM CO[C@H]1CCC[C@H](c2nc(-c3ccc([O-])cc3Cl)no2)C1 ZINC000436520888 338275006 /nfs/dbraw/zinc/27/50/06/338275006.db2.gz JROJNMSWDMLQMP-ONGXEEELSA-N -1 1 308.765 3.768 20 0 DHADMM COc1cc(Cl)cc(-c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000436521644 338275074 /nfs/dbraw/zinc/27/50/74/338275074.db2.gz NVCRGKFMOFDXCF-UHFFFAOYSA-N -1 1 320.707 3.910 20 0 DHADMM COc1ccc(N(CC(C)C)C(=O)c2cc(F)ccc2[O-])cc1 ZINC000436539679 338276110 /nfs/dbraw/zinc/27/61/10/338276110.db2.gz MAGOGGBVCMGSCH-UHFFFAOYSA-N -1 1 317.360 3.843 20 0 DHADMM CC(C)c1ccc(C(=O)N2C[C@H](C)Oc3ccccc32)c([O-])c1 ZINC000436542908 338276366 /nfs/dbraw/zinc/27/63/66/338276366.db2.gz JHIZFNQGNGFQLO-ZDUSSCGKSA-N -1 1 311.381 3.943 20 0 DHADMM CC(C)Oc1ccc(NC(=O)c2cc(F)ccc2[O-])c(F)c1 ZINC000436549111 338276571 /nfs/dbraw/zinc/27/65/71/338276571.db2.gz WLKKTCSWLHSRLL-UHFFFAOYSA-N -1 1 307.296 3.710 20 0 DHADMM Cc1csc(C2(NC(=O)c3ccc(Cl)cc3[O-])CCC2)n1 ZINC000436547235 338276577 /nfs/dbraw/zinc/27/65/77/338276577.db2.gz JCLCPQANJMKXFQ-UHFFFAOYSA-N -1 1 322.817 3.620 20 0 DHADMM CCSc1cccc(NC(=O)c2ccc(OC)cc2[O-])c1 ZINC000436551451 338276611 /nfs/dbraw/zinc/27/66/11/338276611.db2.gz ZDJIIMTYOLJRJD-UHFFFAOYSA-N -1 1 303.383 3.765 20 0 DHADMM CCCN(CCc1cccc(F)c1)C(=O)c1cc(F)ccc1[O-] ZINC000436551218 338276737 /nfs/dbraw/zinc/27/67/37/338276737.db2.gz XLBSHMFAAGIXJS-UHFFFAOYSA-N -1 1 319.351 3.765 20 0 DHADMM CC(C)COc1ccccc1NC(=O)c1cc(F)ccc1[O-] ZINC000436561456 338276986 /nfs/dbraw/zinc/27/69/86/338276986.db2.gz IYFMJAHHEMSIIS-UHFFFAOYSA-N -1 1 303.333 3.818 20 0 DHADMM COc1ccc(NC(=O)c2cc3ccccc3cc2[O-])c(C)n1 ZINC000436586631 338278621 /nfs/dbraw/zinc/27/86/21/338278621.db2.gz TZXKHIQUWIDYIR-UHFFFAOYSA-N -1 1 308.337 3.510 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCc2ccc(F)cc2C1 ZINC000436600870 338279243 /nfs/dbraw/zinc/27/92/43/338279243.db2.gz GNNLTAZAWJTTNF-UHFFFAOYSA-N -1 1 321.351 3.883 20 0 DHADMM C[C@H](CCc1ccc(O)cc1)NC(=O)c1ccc(Cl)cc1[O-] ZINC000436603550 338279392 /nfs/dbraw/zinc/27/93/92/338279392.db2.gz LUAKVEMOARFELZ-LLVKDONJSA-N -1 1 319.788 3.502 20 0 DHADMM Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)nn1[C@@H](C)C1CC1 ZINC000436622577 338280391 /nfs/dbraw/zinc/28/03/91/338280391.db2.gz DHVGGKZKSHGIMB-JTQLQIEISA-N -1 1 319.792 3.774 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000436626004 338280556 /nfs/dbraw/zinc/28/05/56/338280556.db2.gz HADVIRBUAOGCPR-WHLNPGIBSA-N -1 1 311.356 3.849 20 0 DHADMM C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)c1ccc([O-])cc1F ZINC000436656308 338281950 /nfs/dbraw/zinc/28/19/50/338281950.db2.gz MPNCSFHBHHIVFO-KPZWWZAWSA-N -1 1 313.372 3.975 20 0 DHADMM C[C@H]1CCN(C(=O)c2ccc([O-])cc2F)CC12CCCCC2 ZINC000436659962 338282075 /nfs/dbraw/zinc/28/20/75/338282075.db2.gz BLEBDTLDZXOMES-ZDUSSCGKSA-N -1 1 305.393 3.964 20 0 DHADMM CN(Cc1c(F)cccc1F)C(=O)c1cc(Cl)ccc1[O-] ZINC000436665391 338282175 /nfs/dbraw/zinc/28/21/75/338282175.db2.gz NYHDVUNXOIIFPE-UHFFFAOYSA-N -1 1 311.715 3.596 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N(CC(F)F)CC1CCC1 ZINC000436664328 338282207 /nfs/dbraw/zinc/28/22/07/338282207.db2.gz LAMOSEHSQMNHMD-UHFFFAOYSA-N -1 1 303.736 3.553 20 0 DHADMM O=C(NC1(c2ccc(Cl)cc2)CCC1)c1ccc([O-])cc1F ZINC000436705014 338283479 /nfs/dbraw/zinc/28/34/79/338283479.db2.gz IRFVGVYSJAULNT-UHFFFAOYSA-N -1 1 319.763 3.994 20 0 DHADMM O=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)c1ccc([O-])cc1F ZINC000436732370 338284590 /nfs/dbraw/zinc/28/45/90/338284590.db2.gz CWKAHEAMCLJUME-CABCVRRESA-N -1 1 313.372 3.988 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCCn2c(cc3ccccc32)C1 ZINC000436742159 338285047 /nfs/dbraw/zinc/28/50/47/338285047.db2.gz VCXRMEHQOQEAPR-UHFFFAOYSA-N -1 1 324.355 3.532 20 0 DHADMM CN(C(=O)c1cc(Br)ccc1[O-])C1(C)CCCC1 ZINC000436743712 338285208 /nfs/dbraw/zinc/28/52/08/338285208.db2.gz ZLMDEKXIPGCXEU-UHFFFAOYSA-N -1 1 312.207 3.559 20 0 DHADMM Cc1nc(C)c(NC(=O)c2ccc(C(F)(F)F)cc2[O-])s1 ZINC000436750501 338285329 /nfs/dbraw/zinc/28/53/29/338285329.db2.gz GBXCSYVZAWFXRG-UHFFFAOYSA-N -1 1 316.304 3.737 20 0 DHADMM CCN(Cc1cccc(Cl)c1)C(=O)c1cc(F)ccc1[O-] ZINC000436750459 338285406 /nfs/dbraw/zinc/28/54/06/338285406.db2.gz XGCSNBQUBVJSMP-UHFFFAOYSA-N -1 1 307.752 3.847 20 0 DHADMM CC(C)C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000436751912 338285448 /nfs/dbraw/zinc/28/54/48/338285448.db2.gz OLHRXZNSBJWGBM-NSHDSACASA-N -1 1 315.335 3.919 20 0 DHADMM Cc1ccc([C@H](C)N(C)C(=O)c2cc(F)ccc2[O-])c(C)c1 ZINC000436755281 338285626 /nfs/dbraw/zinc/28/56/26/338285626.db2.gz MRCQNDVORZTLOU-ZDUSSCGKSA-N -1 1 301.361 3.981 20 0 DHADMM Cc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1C(F)(F)F ZINC000436762264 338286111 /nfs/dbraw/zinc/28/61/11/338286111.db2.gz BMCJIZOJVZBNLD-UHFFFAOYSA-N -1 1 323.270 3.541 20 0 DHADMM CCN(C(=O)c1ccc(OC)cc1[O-])c1cccc(Cl)c1 ZINC000436761119 338286202 /nfs/dbraw/zinc/28/62/02/338286202.db2.gz VZFXOKBEDCTCQY-UHFFFAOYSA-N -1 1 305.761 3.721 20 0 DHADMM Cc1cncc(CCc2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000436781074 338287079 /nfs/dbraw/zinc/28/70/79/338287079.db2.gz BFTBKJWSMBPRFQ-UHFFFAOYSA-N -1 1 315.760 3.584 20 0 DHADMM CCc1cnccc1[C@H](C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000436793161 338287651 /nfs/dbraw/zinc/28/76/51/338287651.db2.gz PZPKJDIOSAULSF-ZDUSSCGKSA-N -1 1 320.392 3.994 20 0 DHADMM O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)c1cc(Cl)ccc1[O-] ZINC000436798795 338287734 /nfs/dbraw/zinc/28/77/34/338287734.db2.gz VNSRTQMTDGSQIN-TVQRCGJNSA-N -1 1 323.726 3.610 20 0 DHADMM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc([O-])cc3F)C2)cc1 ZINC000436827447 338288808 /nfs/dbraw/zinc/28/88/08/338288808.db2.gz NUXYYXVMPKGXNC-HIFRSBDPSA-N -1 1 313.372 3.858 20 0 DHADMM CCc1ccc(C(=O)N2C[C@H](C)Oc3cc(F)ccc32)c([O-])c1 ZINC000436834147 338289147 /nfs/dbraw/zinc/28/91/47/338289147.db2.gz NSVMDFMPHALRRR-NSHDSACASA-N -1 1 315.344 3.521 20 0 DHADMM O=C(Nc1ccc2n[nH]cc2c1)c1ccc2ccccc2c1[O-] ZINC000436846903 338289665 /nfs/dbraw/zinc/28/96/65/338289665.db2.gz OPLJMBOUWICBLC-UHFFFAOYSA-N -1 1 303.321 3.674 20 0 DHADMM Cc1cccc([C@@H]2CCN(C(=O)c3ccc(Cl)cc3[O-])C2)c1 ZINC000436847805 338289793 /nfs/dbraw/zinc/28/97/93/338289793.db2.gz LTHGEOFMXWOMGD-CQSZACIVSA-N -1 1 315.800 3.984 20 0 DHADMM CC(C)(C)Oc1cc(F)ccc1NC(=O)c1ccc(O)cc1[O-] ZINC000436867785 338290687 /nfs/dbraw/zinc/29/06/87/338290687.db2.gz DKESASTXTABTIT-UHFFFAOYSA-N -1 1 319.332 3.667 20 0 DHADMM Cc1nc2cc(-c3nc(-c4ccc([O-])c(F)c4)no3)ccc2o1 ZINC000436871771 338291037 /nfs/dbraw/zinc/29/10/37/338291037.db2.gz IDLMMIFXHUGIML-UHFFFAOYSA-N -1 1 311.272 3.698 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3ccc(Cl)s3)n2)cc1F ZINC000436880156 338291536 /nfs/dbraw/zinc/29/15/36/338291536.db2.gz PJFMZLBXNKEQPC-UHFFFAOYSA-N -1 1 310.737 3.887 20 0 DHADMM CCc1ccccc1-c1noc(-c2cc(NC(C)=O)ccc2[O-])n1 ZINC000436886214 338291815 /nfs/dbraw/zinc/29/18/15/338291815.db2.gz GHDBYWCATPAORQ-UHFFFAOYSA-N -1 1 323.352 3.630 20 0 DHADMM CCOCc1ccc(-c2noc(-c3cc(F)ccc3[O-])n2)cc1 ZINC000436912105 338293246 /nfs/dbraw/zinc/29/32/46/338293246.db2.gz VZHYIZLKNSLMNU-UHFFFAOYSA-N -1 1 314.316 3.785 20 0 DHADMM O=C(Nc1cccc2[nH]c(=O)oc21)c1ccc2ccccc2c1[O-] ZINC000436932137 338294262 /nfs/dbraw/zinc/29/42/62/338294262.db2.gz ALJMXAYHZGCHNE-UHFFFAOYSA-N -1 1 320.304 3.645 20 0 DHADMM Cc1cccc2c(Cc3noc(-c4cc(F)ccc4[O-])n3)c[nH]c21 ZINC000436938732 338294581 /nfs/dbraw/zinc/29/45/81/338294581.db2.gz MIMIZSBDSBTRJQ-UHFFFAOYSA-N -1 1 323.327 3.962 20 0 DHADMM O=C(NC1(c2ccc(Cl)cc2)CC1)c1c([O-])cccc1F ZINC000436957518 338295854 /nfs/dbraw/zinc/29/58/54/338295854.db2.gz VYPAWHLSMOLLHF-UHFFFAOYSA-N -1 1 305.736 3.604 20 0 DHADMM CC(C)Oc1cc(F)ccc1NC(=O)c1cc(F)ccc1[O-] ZINC000436966102 338296248 /nfs/dbraw/zinc/29/62/48/338296248.db2.gz LVJLHGHPSVPRIY-UHFFFAOYSA-N -1 1 307.296 3.710 20 0 DHADMM COc1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1O ZINC000436970437 338296312 /nfs/dbraw/zinc/29/63/12/338296312.db2.gz LFNOQVFTFOKWOP-UHFFFAOYSA-N -1 1 309.321 3.512 20 0 DHADMM CSCc1cccnc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000436975982 338296525 /nfs/dbraw/zinc/29/65/25/338296525.db2.gz ABNLLIDENCRZIB-UHFFFAOYSA-N -1 1 308.790 3.556 20 0 DHADMM Cc1cscc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000439052129 338359646 /nfs/dbraw/zinc/35/96/46/338359646.db2.gz CEXHJCVDLKRGHN-UHFFFAOYSA-N -1 1 323.439 3.571 20 0 DHADMM O=S(=O)([N-]c1ccc2ccoc2c1)c1ccc(F)c(F)c1 ZINC000442845534 338434321 /nfs/dbraw/zinc/43/43/21/338434321.db2.gz IEDIYPBGZAJDQC-UHFFFAOYSA-N -1 1 309.293 3.512 20 0 DHADMM CCc1cc(=O)[n-]c(S[C@H]2CCc3c2cccc3Cl)n1 ZINC000195059374 338847834 /nfs/dbraw/zinc/84/78/34/338847834.db2.gz MPTYYYULHHKCBT-ZDUSSCGKSA-N -1 1 306.818 3.765 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000456797217 338941205 /nfs/dbraw/zinc/94/12/05/338941205.db2.gz ZNWGDXGICVAQGH-HTQZYQBOSA-N -1 1 323.261 3.978 20 0 DHADMM Cc1ccc([C@@H]2CCC[N@H+]2Cc2cc(=O)[nH]c(C3CC3)n2)s1 ZINC000459356358 339024094 /nfs/dbraw/zinc/02/40/94/339024094.db2.gz BLPYDUQEXXJADA-AWEZNQCLSA-N -1 1 315.442 3.767 20 0 DHADMM CC(C)(NCc1cc(=O)[nH]c(C2CC2)n1)c1ccc(Cl)cc1 ZINC000459356829 339024134 /nfs/dbraw/zinc/02/41/34/339024134.db2.gz AWOYBFQSFPMGDA-UHFFFAOYSA-N -1 1 317.820 3.738 20 0 DHADMM C[C@H]1CC[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)[C@@H](c2ccco2)C1 ZINC000459370116 339025203 /nfs/dbraw/zinc/02/52/03/339025203.db2.gz WXMZPZVOGYGHFT-SWLSCSKDSA-N -1 1 313.401 3.626 20 0 DHADMM C[C@@H]1CC[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)[C@@H](c2ccco2)C1 ZINC000459370115 339025265 /nfs/dbraw/zinc/02/52/65/339025265.db2.gz WXMZPZVOGYGHFT-IUODEOHRSA-N -1 1 313.401 3.626 20 0 DHADMM CCOc1cc(C[NH2+]Cc2cnc(C3CC3)o2)cc(Cl)c1O ZINC000459579792 339037161 /nfs/dbraw/zinc/03/71/61/339037161.db2.gz ZQKNYWQWHQDTAS-UHFFFAOYSA-N -1 1 322.792 3.600 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2ccccc2C(C)C)cc1O ZINC000468344297 339260194 /nfs/dbraw/zinc/26/01/94/339260194.db2.gz QFGXANUCOYJCHH-UHFFFAOYSA-N -1 1 305.399 3.625 20 0 DHADMM CCc1ccc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)cc1C ZINC000471601014 339349020 /nfs/dbraw/zinc/34/90/20/339349020.db2.gz GMXHRGNFYZQLAL-UHFFFAOYSA-N -1 1 323.389 3.506 20 0 DHADMM COc1cc(C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1[O-] ZINC000476716642 339481020 /nfs/dbraw/zinc/48/10/20/339481020.db2.gz XZWYPYPAUASFPH-UHFFFAOYSA-N -1 1 312.152 3.960 20 0 DHADMM CCc1ccccc1S(=O)(=O)[N-]c1ccccc1SC ZINC000488292745 339775849 /nfs/dbraw/zinc/77/58/49/339775849.db2.gz FLKQKZOHWXORPD-UHFFFAOYSA-N -1 1 307.440 3.772 20 0 DHADMM CCc1ccc(-c2noc(-c3cc(-c4ccco4)n[nH]3)n2)cc1 ZINC000505001706 340158401 /nfs/dbraw/zinc/15/84/01/340158401.db2.gz APBUTSWFCZRZLV-UHFFFAOYSA-N -1 1 306.325 3.949 20 0 DHADMM COc1cc(C(=O)N2c3ccccc3C[C@@H]2C)cc(Cl)c1[O-] ZINC000505139191 340162497 /nfs/dbraw/zinc/16/24/97/340162497.db2.gz BMRGPGHXSODKEZ-JTQLQIEISA-N -1 1 317.772 3.646 20 0 DHADMM CCSc1cccc([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000505279597 340165368 /nfs/dbraw/zinc/16/53/68/340165368.db2.gz FTUWDKYHNXEUNZ-UHFFFAOYSA-N -1 1 307.440 3.908 20 0 DHADMM Oc1cccc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)c1Cl ZINC000507984345 340236921 /nfs/dbraw/zinc/23/69/21/340236921.db2.gz FGMQRHOBNBBIHR-HNNXBMFYSA-N -1 1 302.805 3.732 20 0 DHADMM CN(C[C@H]1CC=CCC1)C(=O)c1ccc(Br)cc1[O-] ZINC000402732166 340260369 /nfs/dbraw/zinc/26/03/69/340260369.db2.gz GUPSSTFFLBBZFW-NSHDSACASA-N -1 1 324.218 3.583 20 0 DHADMM O=S(=O)([N-]c1cccc(Cl)c1F)c1cccc(F)c1F ZINC000509657884 340276082 /nfs/dbraw/zinc/27/60/82/340276082.db2.gz LQDCXTKSLAVBKO-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM O=C(Nc1nc(-c2cccc(F)c2)cs1)c1ccccc1[O-] ZINC000302952922 340289719 /nfs/dbraw/zinc/28/97/19/340289719.db2.gz NBXOIPDBWAEFHS-UHFFFAOYSA-N -1 1 314.341 3.907 20 0 DHADMM O=C(Nc1nc(-c2ccco2)n[nH]1)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000510841057 340312656 /nfs/dbraw/zinc/31/26/56/340312656.db2.gz IEGFUCQTHFRSSH-RWMBFGLXSA-N -1 1 314.389 3.610 20 0 DHADMM CCOc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1F ZINC000511135332 340322098 /nfs/dbraw/zinc/32/20/98/340322098.db2.gz OIVWCZYUAXCBCO-UHFFFAOYSA-N -1 1 323.389 3.642 20 0 DHADMM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000512005844 340345129 /nfs/dbraw/zinc/34/51/29/340345129.db2.gz IUMVJXUSDYKBOF-NKWVEPMBSA-N -1 1 316.275 3.768 20 0 DHADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c1 ZINC000176700169 340430455 /nfs/dbraw/zinc/43/04/55/340430455.db2.gz IHANYTTYUTTYDM-UHFFFAOYSA-N -1 1 315.316 3.873 20 0 DHADMM O=S(=O)([N-]c1cc(Cl)c(F)c(Cl)c1)c1ccccc1 ZINC000236237524 340662645 /nfs/dbraw/zinc/66/26/45/340662645.db2.gz XAXLZCUHSPIRHH-UHFFFAOYSA-N -1 1 320.172 3.933 20 0 DHADMM CCOc1ccc(OCC)c(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000322707880 340705953 /nfs/dbraw/zinc/70/59/53/340705953.db2.gz NNLWWOQEBZUPSV-UHFFFAOYSA-N -1 1 319.332 3.581 20 0 DHADMM CCO[C@@H](c1noc(-c2ccc([O-])cc2F)n1)c1ccccc1 ZINC000322849023 340706560 /nfs/dbraw/zinc/70/65/60/340706560.db2.gz UZLWHOMBYVJFQF-OAHLLOKOSA-N -1 1 314.316 3.707 20 0 DHADMM COCC(C)(C)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529538536 340760776 /nfs/dbraw/zinc/76/07/76/340760776.db2.gz DBKQXKYQUKHUEZ-UHFFFAOYSA-N -1 1 307.777 3.810 20 0 DHADMM CO[C@H](C(=O)Nc1cc(Cl)c([O-])c2ccccc12)C1CC1 ZINC000529538707 340760949 /nfs/dbraw/zinc/76/09/49/340760949.db2.gz KIHFPHJZDBQNKN-HNNXBMFYSA-N -1 1 305.761 3.562 20 0 DHADMM Cc1nc(SCc2ncc(Cl)cc2Cl)[n-]c(=O)c1C ZINC000539616540 340892929 /nfs/dbraw/zinc/89/29/29/340892929.db2.gz POZFSEMUBIVICC-UHFFFAOYSA-N -1 1 316.213 3.793 20 0 DHADMM CC(C)c1noc(-c2ccc(NC(=O)OC(C)(C)C)cc2[O-])n1 ZINC000130657830 341037051 /nfs/dbraw/zinc/03/70/51/341037051.db2.gz ACCZSMAQMCJPLK-UHFFFAOYSA-N -1 1 319.361 3.913 20 0 DHADMM CC1(C)CN(C(=O)c2ccc3ccccc3c2[O-])CCS1 ZINC000081925870 341310070 /nfs/dbraw/zinc/31/00/70/341310070.db2.gz CDGFHNMLRLRTJV-UHFFFAOYSA-N -1 1 301.411 3.513 20 0 DHADMM CC(=O)c1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1O ZINC000552070569 341367320 /nfs/dbraw/zinc/36/73/20/341367320.db2.gz WWWIRPLJZZZVEX-UHFFFAOYSA-N -1 1 321.332 3.706 20 0 DHADMM CCc1ncc(-c2nc(-c3ccc([O-])cc3Cl)no2)s1 ZINC000566717750 341566116 /nfs/dbraw/zinc/56/61/16/341566116.db2.gz FYAIRZNNSUEUSQ-UHFFFAOYSA-N -1 1 307.762 3.782 20 0 DHADMM CC[C@H](NC(=O)c1ccc([O-])cc1F)c1cc(F)ccc1F ZINC000154919974 341598077 /nfs/dbraw/zinc/59/80/77/341598077.db2.gz IEYZIFSZTXBZCY-HNNXBMFYSA-N -1 1 309.287 3.691 20 0 DHADMM O=C(NC1(c2cccc(Cl)c2)CC1)c1ccc([O-])cc1F ZINC000154921664 341598169 /nfs/dbraw/zinc/59/81/69/341598169.db2.gz YUNMRZZUEPCFAB-UHFFFAOYSA-N -1 1 305.736 3.604 20 0 DHADMM O=C(Nc1ccc(-c2ncco2)cc1)c1c(F)ccc([O-])c1F ZINC000576865155 341866814 /nfs/dbraw/zinc/86/68/14/341866814.db2.gz ZALLFNXKTJVRSU-UHFFFAOYSA-N -1 1 316.263 3.578 20 0 DHADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ncccc2F)cc1 ZINC000180257986 522041215 /nfs/dbraw/zinc/04/12/15/522041215.db2.gz OLRLCWGTQIRENF-NSHDSACASA-N -1 1 308.378 3.535 20 0 DHADMM C[C@H]1C[C@H](C)CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000338337454 524879695 /nfs/dbraw/zinc/87/96/95/524879695.db2.gz ISUIERSNHBHVTR-QWRGUYRKSA-N -1 1 318.804 3.712 20 0 DHADMM O=C(CCOCc1ccccc1)Nc1ccc([O-])c(Cl)c1 ZINC000111668700 526526986 /nfs/dbraw/zinc/52/69/86/526526986.db2.gz DNBYBRNVQRMFNN-UHFFFAOYSA-N -1 1 305.761 3.591 20 0 DHADMM Cc1occc1CN(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180430141 526821175 /nfs/dbraw/zinc/82/11/75/526821175.db2.gz ITAYOXXWCOCDSF-UHFFFAOYSA-N -1 1 313.275 3.585 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1coc(C2CCCCC2)n1 ZINC000338414696 527214013 /nfs/dbraw/zinc/21/40/13/527214013.db2.gz FGYJMNQMNCRRTM-UHFFFAOYSA-N -1 1 304.321 3.819 20 0 DHADMM CCCCCc1nnc([N-]C(=O)c2csc(Cl)n2)s1 ZINC000274418077 535147023 /nfs/dbraw/zinc/14/70/23/535147023.db2.gz CZSFKNFWIUHYAA-UHFFFAOYSA-N -1 1 316.839 3.633 20 0 DHADMM C[C@@H](NCc1ccc(C(=O)[O-])cc1)c1nc2ccccc2s1 ZINC000818053727 597244283 /nfs/dbraw/zinc/24/42/83/597244283.db2.gz UBQMBRSJZQHFIM-LLVKDONJSA-N -1 1 312.394 3.845 20 0 DHADMM C[C@H](NCc1cccc(C(=O)[O-])c1)c1cc(F)c(F)c(F)c1 ZINC000820149079 598192040 /nfs/dbraw/zinc/19/20/40/598192040.db2.gz UXSPHWBCLRQWQU-VIFPVBQESA-N -1 1 309.287 3.653 20 0 DHADMM C[C@@H](Sc1cccc(F)c1-c1nn[n-]n1)c1ccccc1F ZINC000736193767 598242258 /nfs/dbraw/zinc/24/22/58/598242258.db2.gz SVDPRZYDFILALS-SECBINFHSA-N -1 1 318.352 3.998 20 0 DHADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1ccc(C(C)(C)C)cc1 ZINC000736137823 599411375 /nfs/dbraw/zinc/41/13/75/599411375.db2.gz NZZZOEBKMVZOIC-GFCCVEGCSA-N -1 1 322.416 3.732 20 0 DHADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1ccc(C(C)(C)C)cc1 ZINC000736137823 599411378 /nfs/dbraw/zinc/41/13/78/599411378.db2.gz NZZZOEBKMVZOIC-GFCCVEGCSA-N -1 1 322.416 3.732 20 0 DHADMM C[C@H](CCC(C)(C)C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000735987010 599442805 /nfs/dbraw/zinc/44/28/05/599442805.db2.gz WITGBVKTPCZVDY-SSDOTTSWSA-N -1 1 314.846 3.603 20 0 DHADMM C[C@H](CCC(C)(C)C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000735987010 599442806 /nfs/dbraw/zinc/44/28/06/599442806.db2.gz WITGBVKTPCZVDY-SSDOTTSWSA-N -1 1 314.846 3.603 20 0 DHADMM C[C@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)c1ccccc1 ZINC000736137275 599544061 /nfs/dbraw/zinc/54/40/61/599544061.db2.gz JHFYSYHXMHHEJQ-LBPRGKRZSA-N -1 1 316.368 3.588 20 0 DHADMM C[C@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)c1ccccc1 ZINC000736137275 599544063 /nfs/dbraw/zinc/54/40/63/599544063.db2.gz JHFYSYHXMHHEJQ-LBPRGKRZSA-N -1 1 316.368 3.588 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CNC1(c2ccc(F)cc2)CCC1 ZINC000738964355 599780953 /nfs/dbraw/zinc/78/09/53/599780953.db2.gz SWXQXPJFQLEFHM-UHFFFAOYSA-N -1 1 303.333 3.594 20 0 DHADMM O=C([O-])c1coc(CNC2(c3ccc(Cl)cc3)CCC2)c1 ZINC000740267341 599793931 /nfs/dbraw/zinc/79/39/31/599793931.db2.gz ICNKQSUSCDXLJA-UHFFFAOYSA-N -1 1 305.761 3.800 20 0 DHADMM Cc1oc(CNC2(c3ccc(F)cc3)CCCC2)cc1C(=O)[O-] ZINC000738985164 599803843 /nfs/dbraw/zinc/80/38/43/599803843.db2.gz ZVFUMUJPVZHGMB-UHFFFAOYSA-N -1 1 317.360 3.984 20 0 DHADMM COc1ccccc1[C@@H]1CCCCN1Cc1ccc(C(=O)[O-])o1 ZINC000738130498 599993027 /nfs/dbraw/zinc/99/30/27/599993027.db2.gz RREZKAPMYKSXRU-HNNXBMFYSA-N -1 1 315.369 3.714 20 0 DHADMM Cc1ccc([C@H]2CCCN2Cc2ccc(F)cc2C(=O)[O-])o1 ZINC000571529072 600218102 /nfs/dbraw/zinc/21/81/02/600218102.db2.gz ACOMSQCNVCTJDW-OAHLLOKOSA-N -1 1 303.333 3.762 20 0 DHADMM COc1ccccc1[C@@H](C)N[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000738121467 600315204 /nfs/dbraw/zinc/31/52/04/600315204.db2.gz SARGIVBZZNDGKI-BZNIZROVSA-N -1 1 319.788 3.825 20 0 DHADMM COc1ccc(C)cc1[C@H](C)N[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737975410 600419359 /nfs/dbraw/zinc/41/93/59/600419359.db2.gz HPWNBJUAMRPCGO-SJCJKPOMSA-N -1 1 317.360 3.619 20 0 DHADMM C[C@H]1SCCN(Cc2ccoc2C(=O)[O-])[C@@H]1c1ccccc1 ZINC000573975335 600489951 /nfs/dbraw/zinc/48/99/51/600489951.db2.gz MZLPKNOMEWJRDN-DOMZBBRYSA-N -1 1 317.410 3.656 20 0 DHADMM O=C([O-])[C@@H](NCc1ccsc1)c1ccc(Cl)cc1Cl ZINC000833169804 600739069 /nfs/dbraw/zinc/73/90/69/600739069.db2.gz KQEJVWCSAOFLIE-LBPRGKRZSA-N -1 1 316.209 3.970 20 0 DHADMM CCCCN(C)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000569228653 600815500 /nfs/dbraw/zinc/81/55/00/600815500.db2.gz DCCOAKVULHOWJM-UHFFFAOYSA-N -1 1 304.415 3.740 20 0 DHADMM CCc1nc(C)c([C@@H](C)N(C)Cc2cc(C(=O)[O-])oc2C)s1 ZINC000737281265 600966017 /nfs/dbraw/zinc/96/60/17/600966017.db2.gz HWCNTEKFOMAXKJ-SNVBAGLBSA-N -1 1 322.430 3.807 20 0 DHADMM Cc1ccc([C@@H]2CCCCN2Cc2cc(C(=O)[O-])oc2C)o1 ZINC000738581956 600968799 /nfs/dbraw/zinc/96/87/99/600968799.db2.gz IIPFAVQOVWBRNG-AWEZNQCLSA-N -1 1 303.358 3.915 20 0 DHADMM CCc1ccc([C@H]2CCCCN2Cc2ccc(C(=O)[O-])o2)o1 ZINC000737258259 600969612 /nfs/dbraw/zinc/96/96/12/600969612.db2.gz ADGUMBFUIZJRCH-CQSZACIVSA-N -1 1 303.358 3.860 20 0 DHADMM CN(Cc1ccc(Cl)cc1)[C@@H](C(=O)[O-])c1ccccc1F ZINC000830825178 600982843 /nfs/dbraw/zinc/98/28/43/600982843.db2.gz FELPXDQYQMXSJH-OAHLLOKOSA-N -1 1 307.752 3.737 20 0 DHADMM CC1(C)CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000563280485 601037494 /nfs/dbraw/zinc/03/74/94/601037494.db2.gz VHLXEKQAVINUMV-UHFFFAOYSA-N -1 1 316.426 3.740 20 0 DHADMM Cc1oc(CN(C)[C@@H]2CCc3ccc(F)cc32)cc1C(=O)[O-] ZINC000568064550 601154443 /nfs/dbraw/zinc/15/44/43/601154443.db2.gz IBCVJEJKYDWAJI-MRXNPFEDSA-N -1 1 303.333 3.545 20 0 DHADMM C/C(=C/CN(Cc1cccs1)Cc1cccs1)C(=O)[O-] ZINC000825733881 601154881 /nfs/dbraw/zinc/15/48/81/601154881.db2.gz GPYHPGWCVBJIGQ-SDQBBNPISA-N -1 1 307.440 3.843 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN1CCCC[C@H]1c1ccco1 ZINC000830369678 601419635 /nfs/dbraw/zinc/41/96/35/601419635.db2.gz SIYSVTDLQRQGSI-ZDUSSCGKSA-N -1 1 303.358 3.860 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN1CCCC[C@@H]1c1cccn1C ZINC000830368716 601424230 /nfs/dbraw/zinc/42/42/30/601424230.db2.gz AHHQTACSGGPEAS-OAHLLOKOSA-N -1 1 316.401 3.606 20 0 DHADMM C[C@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1F ZINC000736663206 601511086 /nfs/dbraw/zinc/51/10/86/601511086.db2.gz WURFBNXQSSNTED-VFZGTOFNSA-N -1 1 309.287 3.580 20 0 DHADMM O=C([O-])c1sccc1CSc1nc(-c2ccccc2)n[nH]1 ZINC000833348246 601807118 /nfs/dbraw/zinc/80/71/18/601807118.db2.gz QGMAWBNASIZNEX-UHFFFAOYSA-N -1 1 317.395 3.524 20 0 DHADMM Cc1cccc([C@H](C)SCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826296444 607536559 /nfs/dbraw/zinc/53/65/59/607536559.db2.gz XHPKKEMKFQDYOV-LBPRGKRZSA-N -1 1 311.414 3.565 20 0 DHADMM Cc1cccc([C@H](C)SCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826296444 607536562 /nfs/dbraw/zinc/53/65/62/607536562.db2.gz XHPKKEMKFQDYOV-LBPRGKRZSA-N -1 1 311.414 3.565 20 0 DHADMM C[C@H](NC(=O)[O-])c1ccc(CNCc2ccc(Cl)o2)cc1 ZINC000825401692 604413163 /nfs/dbraw/zinc/41/31/63/604413163.db2.gz DYIDUYYAUNFKRW-JTQLQIEISA-N -1 1 308.765 3.551 20 0 DHADMM C[C@@H](c1ccc(F)cc1)N(C)Cc1ccc(C(=O)[O-])cc1F ZINC000833549292 604748822 /nfs/dbraw/zinc/74/88/22/604748822.db2.gz WEUFJLYSMFCEDY-NSHDSACASA-N -1 1 305.324 3.856 20 0 DHADMM CC[C@@H](NCc1ccc(C(=O)[O-])cc1F)c1ccc(OC)cc1 ZINC000833644713 605062973 /nfs/dbraw/zinc/06/29/73/605062973.db2.gz QXMGOSZYRVFILM-QGZVFWFLSA-N -1 1 317.360 3.773 20 0 DHADMM CC(C)(C(=O)[O-])[C@@H](NCc1ccncc1Cl)c1ccccc1 ZINC000833413635 605182930 /nfs/dbraw/zinc/18/29/30/605182930.db2.gz JHQWDVXTALKWDP-HNNXBMFYSA-N -1 1 318.804 3.677 20 0 DHADMM CCN(Cc1ccccc1NCc1ccc2nc[nH]c2c1)C(=O)[O-] ZINC000827187084 605245814 /nfs/dbraw/zinc/24/58/14/605245814.db2.gz OUYIIBLXCWJVNG-UHFFFAOYSA-N -1 1 324.384 3.675 20 0 DHADMM O=C([O-])Nc1ccc2c(c1)CC[C@@H]2NCc1ccc(F)cc1F ZINC000834262962 605600045 /nfs/dbraw/zinc/60/00/45/605600045.db2.gz 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O=C([O-])C[C@@H]1CCCN(Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000389547020 951351877 /nfs/dbraw/zinc/35/18/77/951351877.db2.gz OCQGHKRXHPHMHE-JTQLQIEISA-N -1 1 319.298 3.531 20 0 DHADMM CC(C)n1c(CNCc2cccc(C(=O)[O-])c2)nc2ccccc21 ZINC001603114709 972190981 /nfs/dbraw/zinc/19/09/81/972190981.db2.gz OJFWUMVLRQPVFM-UHFFFAOYSA-N -1 1 323.396 3.605 20 0 DHADMM C[C@@]1(C(=O)[O-])CCCN(Cc2csc(-c3ccsc3)n2)C1 ZINC000062876941 957623750 /nfs/dbraw/zinc/62/37/50/957623750.db2.gz OYAUPLJLKOTYKC-OAHLLOKOSA-N -1 1 322.455 3.558 20 0 DHADMM O=C([O-])c1ccc(CN[C@H]2CCSc3ccc(Cl)cc32)o1 ZINC000071381134 957722872 /nfs/dbraw/zinc/72/28/72/957722872.db2.gz NUDPQMZCYUNVHH-LBPRGKRZSA-N -1 1 323.801 3.958 20 0 DHADMM Cc1ccc2sc(CN3CCC[C@H](CCC(=O)[O-])C3)nc2c1 ZINC001594386539 958677968 /nfs/dbraw/zinc/67/79/68/958677968.db2.gz XTDCNMJZRVUKEG-CYBMUJFWSA-N -1 1 318.442 3.682 20 0 DHADMM Cc1cccc([C@H](NCc2cccc(F)c2Cl)C(=O)[O-])c1 ZINC001594398396 958802904 /nfs/dbraw/zinc/80/29/04/958802904.db2.gz 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CC(C)c1[nH]c(CN(Cc2ccco2)C(C)C)cc1C(=O)[O-] ZINC001591910328 976318076 /nfs/dbraw/zinc/31/80/76/976318076.db2.gz BXXVHNAUWZIOOB-UHFFFAOYSA-N -1 1 304.390 3.840 20 0 DHADMM CC(C)c1ccc(CNCc2ccc(Cl)c(C(=O)[O-])n2)cc1 ZINC001591957596 976531778 /nfs/dbraw/zinc/53/17/78/976531778.db2.gz RRRBWSRVFVHHEQ-UHFFFAOYSA-N -1 1 318.804 3.846 20 0 DHADMM C[C@@H](CN(C)[C@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001592579592 978489717 /nfs/dbraw/zinc/48/97/17/978489717.db2.gz VIRGMJNBKADOPR-NWDGAFQWSA-N -1 1 304.415 3.638 20 0 DHADMM O=C(c1ncccc1[O-])N1CCC[C@H]1CCC1CCCCC1 ZINC000427750626 1014521700 /nfs/dbraw/zinc/52/17/00/1014521700.db2.gz ZSKSPFZSMWOWDB-HNNXBMFYSA-N -1 1 302.418 3.752 20 0 DHADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1cc(Cl)cc(Cl)c1 ZINC000263498834 1014556085 /nfs/dbraw/zinc/55/60/85/1014556085.db2.gz KHXKLEDHRKSJOZ-KOLCDFICSA-N -1 1 302.201 3.679 20 0 DHADMM CCC(CC)c1nnc([N-]C(=O)c2ncoc2C2CC2)s1 ZINC000294633394 1032095109 /nfs/dbraw/zinc/09/51/09/1032095109.db2.gz PLBYPRKJDIZIFE-UHFFFAOYSA-N -1 1 306.391 3.559 20 0 DHADMM CSc1ccc(CN(CCc2ccccc2)CC(=O)[O-])s1 ZINC000840995198 979294667 /nfs/dbraw/zinc/29/46/67/979294667.db2.gz UIRBDLISXGNJPF-UHFFFAOYSA-N -1 1 321.467 3.599 20 0 DHADMM O=C([O-])[C@H](c1ccccc1C(F)(F)F)N1CCC(F)(F)CC1 ZINC000863474314 979669178 /nfs/dbraw/zinc/66/91/78/979669178.db2.gz LQMORINQJPVXSP-NSHDSACASA-N -1 1 323.261 3.562 20 0 DHADMM C[C@@H](Cc1cccs1)N(C)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001592899891 979816525 /nfs/dbraw/zinc/81/65/25/979816525.db2.gz LINUQCDIMGBMMH-UWVGGRQHSA-N -1 1 310.444 3.527 20 0 DHADMM C[C@]1(NCc2ccc(/C=C\C(=O)[O-])o2)CCCc2ccccc21 ZINC000901439684 980288367 /nfs/dbraw/zinc/28/83/67/980288367.db2.gz WUFHQDXXYZIZFG-GDWUOILNSA-N -1 1 311.381 3.719 20 0 DHADMM CC[C@H](N[C@H](C)c1ccc(C(=O)[O-])o1)c1ccccc1OC ZINC001595281288 980332602 /nfs/dbraw/zinc/33/26/02/980332602.db2.gz LLEPRWRIMFXYDB-YPMHNXCESA-N -1 1 303.358 3.788 20 0 DHADMM CC[C@H](N[C@@H](C)c1ccc(C(=O)[O-])o1)c1ccccc1OC ZINC001595281285 980332613 /nfs/dbraw/zinc/33/26/13/980332613.db2.gz LLEPRWRIMFXYDB-AAEUAGOBSA-N -1 1 303.358 3.788 20 0 DHADMM CC[C@@](NCc1cc(C)cnc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595299304 980426053 /nfs/dbraw/zinc/42/60/53/980426053.db2.gz OVHPDCKVFXIBFZ-KRWDZBQOSA-N -1 1 318.804 3.523 20 0 DHADMM CC[C@@](NCc1cc(O)ccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595299340 980426722 /nfs/dbraw/zinc/42/67/22/980426722.db2.gz QBPUWJFYMYBDKD-KRWDZBQOSA-N -1 1 319.788 3.525 20 0 DHADMM CSc1ccc(CN[C@H](CCC(=O)[O-])c2ccccc2)o1 ZINC000901648606 980426990 /nfs/dbraw/zinc/42/69/90/980426990.db2.gz RUTBILZJBNTQOL-CQSZACIVSA-N -1 1 305.399 3.697 20 0 DHADMM O=C([O-])CCN(Cc1ccsc1)Cc1ccc(F)c(F)c1 ZINC000901657205 980431005 /nfs/dbraw/zinc/43/10/05/980431005.db2.gz PQQPDILDOPGVAQ-UHFFFAOYSA-N -1 1 311.353 3.503 20 0 DHADMM CCCOc1ccc(CNCc2cc(C)c(C(=O)[O-])o2)cc1C ZINC000901938017 980640080 /nfs/dbraw/zinc/64/00/80/980640080.db2.gz GZNRPFDYAXQTIW-UHFFFAOYSA-N -1 1 317.385 3.673 20 0 DHADMM CC[C@H](NCc1cccc(C(=O)[O-])n1)c1cccc(Cl)c1 ZINC000902110215 980738886 /nfs/dbraw/zinc/73/88/86/980738886.db2.gz VLWPAIDTFJEZGL-AWEZNQCLSA-N -1 1 304.777 3.674 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CN[C@H]1CCc2cc(Cl)ccc21 ZINC000902173473 980767614 /nfs/dbraw/zinc/76/76/14/980767614.db2.gz UMHFVRPJQIAOMX-AWEZNQCLSA-N -1 1 305.761 3.717 20 0 DHADMM CC1(C)C[C@@H](NCc2ccc(/C=C\C(=O)[O-])o2)c2ccccc21 ZINC000902262825 980806629 /nfs/dbraw/zinc/80/66/29/980806629.db2.gz GGBQAFZSHWQFPB-DOOKAGJSSA-N -1 1 311.381 3.890 20 0 DHADMM CC[C@H](NCc1cc(C(=O)[O-])cs1)c1ccc(F)cc1F ZINC000902286162 980818304 /nfs/dbraw/zinc/81/83/04/980818304.db2.gz GEGMQTDZHDKJBT-AWEZNQCLSA-N -1 1 311.353 3.965 20 0 DHADMM Cc1cc(CN[C@H]2c3cccc(F)c3CC[C@H]2C)oc1C(=O)[O-] ZINC000902287095 980819178 /nfs/dbraw/zinc/81/91/78/980819178.db2.gz VQKSTUUFRHTOJG-QLJPJBMISA-N -1 1 317.360 3.839 20 0 DHADMM CCc1oc(CNCc2ccc(Cl)c(C)c2)cc1C(=O)[O-] ZINC000902309023 980827473 /nfs/dbraw/zinc/82/74/73/980827473.db2.gz RXGDJNAXXQHGBU-UHFFFAOYSA-N -1 1 307.777 3.792 20 0 DHADMM CSCc1cc(F)ccc1CNCc1cc(C(=O)[O-])oc1C ZINC000902387996 980867009 /nfs/dbraw/zinc/86/70/09/980867009.db2.gz VJJNHQVAXNQCAQ-UHFFFAOYSA-N -1 1 323.389 3.578 20 0 DHADMM CC1(NCc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CC(F)(F)C1 ZINC000902446388 980891952 /nfs/dbraw/zinc/89/19/52/980891952.db2.gz UDKLKZRRPIWVQF-UHFFFAOYSA-N -1 1 321.323 3.922 20 0 DHADMM Cc1ccccc1[C@@]1(F)CCN(Cc2csc(C(=O)[O-])c2)C1 ZINC000902452058 980894076 /nfs/dbraw/zinc/89/40/76/980894076.db2.gz HSEULCGMOFMEOI-QGZVFWFLSA-N -1 1 319.401 3.825 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1nc(Cl)ccc1Cl ZINC000067738988 1014691113 /nfs/dbraw/zinc/69/11/13/1014691113.db2.gz SANYEYPVPWSWQS-UHFFFAOYSA-N -1 1 317.559 4.000 20 0 DHADMM CC[C@@H](c1ccccc1OC)N(C)Cc1ccc(C(=O)[O-])o1 ZINC000902542097 980926995 /nfs/dbraw/zinc/92/69/95/980926995.db2.gz DHRQMXTXBMQYSQ-AWEZNQCLSA-N -1 1 303.358 3.570 20 0 DHADMM CC[C@H]1c2ccsc2CCN1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001595503920 981277561 /nfs/dbraw/zinc/27/75/61/981277561.db2.gz HHIGATRVGJYITG-YVACAVLKSA-N -1 1 317.410 3.948 20 0 DHADMM C[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)C1CCCCC1 ZINC000581408390 1014790071 /nfs/dbraw/zinc/79/00/71/1014790071.db2.gz JXDQFLZBQOUUBW-GFCCVEGCSA-N -1 1 307.415 3.680 20 0 DHADMM COc1cc(C(=O)N[C@@H]2CC[C@H](C)[C@H](C)C2)cc(Cl)c1[O-] ZINC000443108488 1014814375 /nfs/dbraw/zinc/81/43/75/1014814375.db2.gz MXGIFJRRBVLMOF-HOSYDEDBSA-N -1 1 311.809 3.609 20 0 DHADMM COc1cc(-c2nc(-c3cccc(F)c3)no2)cc(Cl)c1[O-] ZINC000443104825 1014815624 /nfs/dbraw/zinc/81/56/24/1014815624.db2.gz VOLKCJFHUCJMFQ-UHFFFAOYSA-N -1 1 320.707 3.910 20 0 DHADMM COc1cc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc(Cl)c1[O-] ZINC000443288296 1014861802 /nfs/dbraw/zinc/86/18/02/1014861802.db2.gz LNKRAEZQTPMVMQ-DMDPSCGWSA-N -1 1 323.820 3.753 20 0 DHADMM CCc1cccc2cc(CN[C@H](CC(=O)[O-])c3ccncc3)oc21 ZINC000656568728 1014874721 /nfs/dbraw/zinc/87/47/21/1014874721.db2.gz ILHKBIWQSBLEMA-QGZVFWFLSA-N -1 1 324.380 3.696 20 0 DHADMM CCOc1cc(-c2nc(-c3ccncc3)no2)cc(Cl)c1[O-] ZINC000191172552 1014893205 /nfs/dbraw/zinc/89/32/05/1014893205.db2.gz FVODAMIRBCKMAY-UHFFFAOYSA-N -1 1 317.732 3.556 20 0 DHADMM CCOc1cc(-c2nc(-c3ccccn3)no2)cc(Cl)c1[O-] ZINC000191162269 1014894194 /nfs/dbraw/zinc/89/41/94/1014894194.db2.gz VFWRRQRGQMZSPE-UHFFFAOYSA-N -1 1 317.732 3.556 20 0 DHADMM CCCc1ncc(CN[C@H](CC)c2ccc(C(=O)[O-])cc2)o1 ZINC001596088246 983407747 /nfs/dbraw/zinc/40/77/47/983407747.db2.gz BDTRCLYMBXESFQ-OAHLLOKOSA-N -1 1 302.374 3.566 20 0 DHADMM CCN(c1ccc(NCc2ncc(C(=O)[O-])s2)cc1)C(C)C ZINC001596385760 983913637 /nfs/dbraw/zinc/91/36/37/983913637.db2.gz XVPUBWFETXKAHQ-UHFFFAOYSA-N -1 1 319.430 3.688 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000094017949 1015001042 /nfs/dbraw/zinc/00/10/42/1015001042.db2.gz IGJISDAHUAFEJO-OAHLLOKOSA-N -1 1 317.335 3.518 20 0 DHADMM CC(C)(C)c1cccc(NC(=O)c2c(F)ccc([O-])c2F)c1O ZINC000581635050 1015100513 /nfs/dbraw/zinc/10/05/13/1015100513.db2.gz QAAPRGVVJVEWIX-UHFFFAOYSA-N -1 1 321.323 3.926 20 0 DHADMM CCc1ccc(C)nc1[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000656738334 1015106217 /nfs/dbraw/zinc/10/62/17/1015106217.db2.gz SVYINTHBGKFQKF-UHFFFAOYSA-N -1 1 324.833 3.548 20 0 DHADMM CC(C)c1nn(C)cc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000324023462 1015127895 /nfs/dbraw/zinc/12/78/95/1015127895.db2.gz OJPZKYNKQZLXKA-UHFFFAOYSA-N -1 1 309.369 3.655 20 0 DHADMM CC1(C)CO[C@@H](c2cccc(F)c2)CN1CCCCCC(=O)[O-] ZINC000656766543 1015137866 /nfs/dbraw/zinc/13/78/66/1015137866.db2.gz XLILYANGAZKSQS-MRXNPFEDSA-N -1 1 323.408 3.623 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1O ZINC000033860614 1015145156 /nfs/dbraw/zinc/14/51/56/1015145156.db2.gz VQNXTPCOSZDJJU-UHFFFAOYSA-N -1 1 313.378 3.655 20 0 DHADMM CC(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000443719974 1015183450 /nfs/dbraw/zinc/18/34/50/1015183450.db2.gz COGDEZOMGGAUHR-SSDOTTSWSA-N -1 1 316.275 3.768 20 0 DHADMM Cc1c(C(=O)[O-])cc(CN2CCC[C@@H]2c2cccc(F)c2)n1C ZINC001599985391 986219770 /nfs/dbraw/zinc/21/97/70/986219770.db2.gz NAEVVWLJJBWFGE-QGZVFWFLSA-N -1 1 316.376 3.508 20 0 DHADMM CC[C@H](NCc1cc(C(=O)[O-])ccc1F)c1ccc(F)cc1 ZINC001597349337 987485136 /nfs/dbraw/zinc/48/51/36/987485136.db2.gz HBFKCGQKAHAZED-INIZCTEOSA-N -1 1 305.324 3.904 20 0 DHADMM CC(C)Cc1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)[nH]n1 ZINC000474421049 1015343219 /nfs/dbraw/zinc/34/32/19/1015343219.db2.gz JSUABBDYNQMEDH-UHFFFAOYSA-N -1 1 321.446 3.532 20 0 DHADMM CSCc1ccc(CNCc2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC001599802609 988202033 /nfs/dbraw/zinc/20/20/33/988202033.db2.gz PALWGZAMXRLEDM-CMDGGOBGSA-N -1 1 317.410 3.530 20 0 DHADMM CSc1ccc(F)cc1CN[C@H](C(=O)[O-])c1ccsc1 ZINC001599814226 988392092 /nfs/dbraw/zinc/39/20/92/988392092.db2.gz IPFHURAWIKTBJH-ZDUSSCGKSA-N -1 1 311.403 3.525 20 0 DHADMM CSc1ccc(F)cc1CNCc1ccsc1C(=O)[O-] ZINC001599814260 988393325 /nfs/dbraw/zinc/39/33/25/988393325.db2.gz KIAFTDQBJHOETA-UHFFFAOYSA-N -1 1 311.403 3.597 20 0 DHADMM CCc1cnccc1[C@H](C)NCc1cccc(C(=O)[O-])c1Cl ZINC001597637044 988621369 /nfs/dbraw/zinc/62/13/69/988621369.db2.gz UBDUZVXAKKQRHV-NSHDSACASA-N -1 1 318.804 3.846 20 0 DHADMM C[C@@H](NCc1c[nH]c(C(=O)[O-])c1)c1cc(Cl)ccc1Cl ZINC001599841542 988843398 /nfs/dbraw/zinc/84/33/98/988843398.db2.gz PXRWZMWIITWMBA-MRVPVSSYSA-N -1 1 313.184 3.871 20 0 DHADMM CCc1oc(CN2CCC(CC(F)(F)F)CC2)cc1C(=O)[O-] ZINC001597797371 989361881 /nfs/dbraw/zinc/36/18/81/989361881.db2.gz ZSSMMHXQYKGOGH-UHFFFAOYSA-N -1 1 319.323 3.705 20 0 DHADMM CCc1oc(CNCc2ccc3[nH]c(C)cc3c2)cc1C(=O)[O-] ZINC001597805631 989415480 /nfs/dbraw/zinc/41/54/80/989415480.db2.gz MGLUQTHKRBBHLP-UHFFFAOYSA-N -1 1 312.369 3.620 20 0 DHADMM CC(C)(C)c1csc(CNC2(C(=O)[O-])CCCCCC2)n1 ZINC001590532022 990142486 /nfs/dbraw/zinc/14/24/86/990142486.db2.gz BPFRZWAJGOIMPE-UHFFFAOYSA-N -1 1 310.463 3.708 20 0 DHADMM CC(C)(NCc1c[nH]c(C(=O)[O-])c1)c1cccc(Cl)c1F ZINC001590870385 990772479 /nfs/dbraw/zinc/77/24/79/990772479.db2.gz DQLKPABKPQAWFG-UHFFFAOYSA-N -1 1 310.756 3.530 20 0 DHADMM CN(Cc1ccc(O)cc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000041686526 1015622485 /nfs/dbraw/zinc/62/24/85/1015622485.db2.gz RTLWEKQVAJNEHJ-UHFFFAOYSA-N -1 1 307.349 3.523 20 0 DHADMM O=C(N[C@H]1CC[C@@H](c2cccc(F)c2)C1)c1ccc([O-])c(F)c1 ZINC000684513555 1015623289 /nfs/dbraw/zinc/62/32/89/1015623289.db2.gz HQPAHNQJGFNOPY-DOMZBBRYSA-N -1 1 317.335 3.737 20 0 DHADMM CC(C)CN(CCC(=O)[O-])Cc1c(F)ccc(F)c1Cl ZINC001591331746 992307534 /nfs/dbraw/zinc/30/75/34/992307534.db2.gz TUUFMVZPQBFBIV-UHFFFAOYSA-N -1 1 305.752 3.551 20 0 DHADMM CN(Cc1ccc(C(C)(C)C)cc1)Cc1ccc(C(=O)[O-])cn1 ZINC001598516526 992622950 /nfs/dbraw/zinc/62/29/50/992622950.db2.gz KMUDFNCODJZZGH-UHFFFAOYSA-N -1 1 312.413 3.709 20 0 DHADMM Cc1nc(-c2ccc(NCC(C)(C)C3CC3)nc2)[n-]c(=O)c1C ZINC000896786012 1015743224 /nfs/dbraw/zinc/74/32/24/1015743224.db2.gz PESJNGDTYACKJI-UHFFFAOYSA-N -1 1 312.417 3.709 20 0 DHADMM Cc1noc(C)c1C(C)(C)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000280912972 1015809645 /nfs/dbraw/zinc/80/96/45/1015809645.db2.gz WUVAGCVFYWELPK-UHFFFAOYSA-N -1 1 308.765 3.567 20 0 DHADMM C[C@H](NCC1(C(F)(F)F)CCCC1)c1ncc(C(=O)[O-])s1 ZINC001593250768 994487810 /nfs/dbraw/zinc/48/78/10/994487810.db2.gz WOIVJNKJAMFETN-QMMMGPOBSA-N -1 1 322.352 3.615 20 0 DHADMM C[C@@H](NCCSC1CCCCC1)c1ncc(C(=O)[O-])s1 ZINC001593270873 994598308 /nfs/dbraw/zinc/59/83/08/994598308.db2.gz AKNDZCKXVNWSII-SNVBAGLBSA-N -1 1 314.476 3.558 20 0 DHADMM C[C@H](NCc1ccc(Br)cc1)c1cc(C(=O)[O-])co1 ZINC001593292993 994681309 /nfs/dbraw/zinc/68/13/09/994681309.db2.gz RCKNOHIBTLSWKY-VIFPVBQESA-N -1 1 324.174 3.591 20 0 DHADMM C[C@@H](NCc1ccc(C(F)(F)F)cc1)c1cc(C(=O)[O-])co1 ZINC001593297648 994705333 /nfs/dbraw/zinc/70/53/33/994705333.db2.gz XSZOHCJRDWQJAA-SECBINFHSA-N -1 1 313.275 3.847 20 0 DHADMM C[C@@H](c1nc(C(=O)[O-])co1)N1CC[C@@H](C)C2(CCCCC2)C1 ZINC001593724774 996269000 /nfs/dbraw/zinc/26/90/00/996269000.db2.gz IXKIZEUAZNJPBA-OLZOCXBDSA-N -1 1 306.406 3.726 20 0 DHADMM CC[C@H](Cc1ccccc1-c1cc(C(F)(F)F)n[nH]1)C(=O)[O-] ZINC000657203380 1016030901 /nfs/dbraw/zinc/03/09/01/1016030901.db2.gz SROMILOZSBMOCG-SECBINFHSA-N -1 1 312.291 3.749 20 0 DHADMM Cc1cnc(SCC(=O)c2ccc(CC(C)C)cc2)[n-]c1=O ZINC000657261743 1016130916 /nfs/dbraw/zinc/13/09/16/1016130916.db2.gz HXQMQKZSHHJFEE-UHFFFAOYSA-N -1 1 316.426 3.664 20 0 DHADMM CCc1nc(SC[C@H](OC)C2CCCCC2)[n-]c(=O)c1C ZINC000657264083 1016138085 /nfs/dbraw/zinc/13/80/85/1016138085.db2.gz DDQDJVNVHWSFTK-AWEZNQCLSA-N -1 1 310.463 3.740 20 0 DHADMM CC1(F)CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC001594045271 997700030 /nfs/dbraw/zinc/70/00/30/997700030.db2.gz SCIZFUSYEUPERA-GFCCVEGCSA-N -1 1 320.191 3.943 20 0 DHADMM C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1csc(C(=O)[O-])c1 ZINC001594298892 999152371 /nfs/dbraw/zinc/15/23/71/999152371.db2.gz MYPGWPWFOVAKEF-WPRPVWTQSA-N -1 1 307.337 3.609 20 0 DHADMM CCC[C@@H](C)CCC[N@H+]1CCC[C@@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934269158 1016341104 /nfs/dbraw/zinc/34/11/04/1016341104.db2.gz DUMDCWHTGGMDCL-ZIAGYGMSSA-N -1 1 307.438 3.544 20 0 DHADMM Cc1cc(F)ccc1[C@H]1CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000622667499 1016511280 /nfs/dbraw/zinc/51/12/80/1016511280.db2.gz IWEACFTXLXDXPU-MRXNPFEDSA-N -1 1 317.335 3.956 20 0 DHADMM CCOc1cc(C(=O)N2CCC(C)=C(C)C2)cc(Cl)c1[O-] ZINC000281789929 1016733563 /nfs/dbraw/zinc/73/35/63/1016733563.db2.gz MAMZHDJYWVPQJR-UHFFFAOYSA-N -1 1 309.793 3.627 20 0 DHADMM C[C@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)c1ccccc1 ZINC000684869674 1016742693 /nfs/dbraw/zinc/74/26/93/1016742693.db2.gz XFAZGAWQBJWIMX-JTQLQIEISA-N -1 1 309.287 3.902 20 0 DHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCC[C@H]2CCC[C@H]21 ZINC000684876303 1016770105 /nfs/dbraw/zinc/77/01/05/1016770105.db2.gz SIPWYUOSGWAURB-ZWNOBZJWSA-N -1 1 313.319 3.816 20 0 DHADMM O=C([O-])C[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1Cl ZINC000086775342 1016885624 /nfs/dbraw/zinc/88/56/24/1016885624.db2.gz YDMNBWHAORPIHR-NSHDSACASA-N -1 1 302.201 3.823 20 0 DHADMM O=C([O-])C[C@@H]1CCCCN1Cc1cccc(Cl)c1Cl ZINC000086775342 1016885639 /nfs/dbraw/zinc/88/56/39/1016885639.db2.gz YDMNBWHAORPIHR-NSHDSACASA-N -1 1 302.201 3.823 20 0 DHADMM CN1CCN(C(=O)c2cc3ccccc3cc2[O-])c2ccccc21 ZINC000108144784 1032153278 /nfs/dbraw/zinc/15/32/78/1032153278.db2.gz CWYIIAVHIHEDIB-UHFFFAOYSA-N -1 1 318.376 3.642 20 0 DHADMM CC[C@H](C)C[C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001147860576 1032349693 /nfs/dbraw/zinc/34/96/93/1032349693.db2.gz IBNFONKALGIRSG-UWVGGRQHSA-N -1 1 303.324 3.966 20 0 DHADMM Cc1conc1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001148253085 1032378821 /nfs/dbraw/zinc/37/88/21/1032378821.db2.gz PCLGRXBFSAQCKO-UHFFFAOYSA-N -1 1 302.717 3.748 20 0 DHADMM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc([O-])cc2F)C1(CC)CC ZINC001148988072 1032456805 /nfs/dbraw/zinc/45/68/05/1032456805.db2.gz NISNPKDEBYLUBF-HOTGVXAUSA-N -1 1 323.408 3.587 20 0 DHADMM COc1ccccc1[C@H]1CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000094102412 1032569080 /nfs/dbraw/zinc/56/90/80/1032569080.db2.gz BKYRSUQXAKJNNH-OAHLLOKOSA-N -1 1 315.344 3.517 20 0 DHADMM CC(C)CC[N@@H+](C)Cn1c(Cc2cccs2)n[nH]c1=S ZINC000049516190 1011960773 /nfs/dbraw/zinc/96/07/73/1011960773.db2.gz AHOJHKJSCFBRFV-UHFFFAOYSA-N -1 1 310.492 3.528 20 0 DHADMM C[C@@H]1CCCN(Cc2cc(C(F)(F)F)ccc2F)[C@H]1C(=O)[O-] ZINC000424423738 1012016777 /nfs/dbraw/zinc/01/67/77/1012016777.db2.gz VNVPKDBAKNXSBF-NOZJJQNGSA-N -1 1 319.298 3.530 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CN(Cc1cccc(F)c1)C1CC1 ZINC000514867063 1012476734 /nfs/dbraw/zinc/47/67/34/1012476734.db2.gz QKUOBUXQGZCGKR-UHFFFAOYSA-N -1 1 303.333 3.590 20 0 DHADMM C[C@H]1CCN(Cc2c(Cl)cccc2Cl)C[C@H]1C(=O)[O-] ZINC000516768972 1012825909 /nfs/dbraw/zinc/82/59/09/1012825909.db2.gz KADBMCKDBFPVBM-VHSXEESVSA-N -1 1 302.201 3.536 20 0 DHADMM CC[C@@H]1CC[C@H](C)[N@H+]1Cc1nc2cc(C(=O)[O-])ccc2n1CC ZINC000516873009 1012852269 /nfs/dbraw/zinc/85/22/69/1012852269.db2.gz YJLXMLMKZOUOAY-GXTWGEPZSA-N -1 1 315.417 3.517 20 0 DHADMM O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1cncc([O-])c1 ZINC000339878578 1012989443 /nfs/dbraw/zinc/98/94/43/1012989443.db2.gz LIVOCUKHDSWUDE-IBGZPJMESA-N -1 1 318.376 3.501 20 0 DHADMM CCOC(=O)[C@@H]1CC[C@@H](Oc2cc(Cl)c([O-])cc2Cl)C1 ZINC001227646144 1017132377 /nfs/dbraw/zinc/13/23/77/1017132377.db2.gz OMUQOOOOYHADOG-RKDXNWHRSA-N -1 1 319.184 3.810 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000456787612 1017429307 /nfs/dbraw/zinc/42/93/07/1017429307.db2.gz QQPKKPVPXRGMIV-RNFRBKRXSA-N -1 1 309.234 3.588 20 0 DHADMM CC(C)c1nsc([N-]C(=O)c2nc(Cl)ccc2Cl)n1 ZINC000874698151 1032711499 /nfs/dbraw/zinc/71/14/99/1032711499.db2.gz USAADPPIMVGRQH-UHFFFAOYSA-N -1 1 317.201 3.616 20 0 DHADMM CC(C)c1[nH]ncc1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000445142848 1017769838 /nfs/dbraw/zinc/76/98/38/1017769838.db2.gz IKAQHWAMLFHAAP-UHFFFAOYSA-N -1 1 314.172 3.798 20 0 DHADMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000171013521 1017812407 /nfs/dbraw/zinc/81/24/07/1017812407.db2.gz CHCMHBNNLFHQIC-LBPRGKRZSA-N -1 1 323.389 3.642 20 0 DHADMM Cc1cncc(/C=C/c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445448696 1017856486 /nfs/dbraw/zinc/85/64/86/1017856486.db2.gz SPZZTEDYTOCVFV-GORDUTHDSA-N -1 1 313.744 3.969 20 0 DHADMM CC(C)Cn1cc(-c2nc(-c3ccc([O-])cc3Cl)no2)cn1 ZINC000445446939 1017856543 /nfs/dbraw/zinc/85/65/43/1017856543.db2.gz NFDTZUOAHCXNOC-UHFFFAOYSA-N -1 1 318.764 3.615 20 0 DHADMM CCOc1cccc(-c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445466262 1017870245 /nfs/dbraw/zinc/87/02/45/1017870245.db2.gz YHTYUZUUJPKJJO-UHFFFAOYSA-N -1 1 300.289 3.647 20 0 DHADMM [O-]c1ccc(-c2noc(C3=Cc4ccccc4OC3)n2)cc1F ZINC000445478359 1017874837 /nfs/dbraw/zinc/87/48/37/1017874837.db2.gz GQVUUOUEXDWPFL-UHFFFAOYSA-N -1 1 310.284 3.514 20 0 DHADMM Cc1cccc2c(Cc3nc(-c4ccc([O-])c(F)c4)no3)c[nH]c21 ZINC000445477533 1017875615 /nfs/dbraw/zinc/87/56/15/1017875615.db2.gz CQIGBXJPYCSZPK-UHFFFAOYSA-N -1 1 323.327 3.962 20 0 DHADMM C[C@H](c1nc(-c2ccc([O-])c(F)c2)no1)c1ccccc1F ZINC000445477059 1017876921 /nfs/dbraw/zinc/87/69/21/1017876921.db2.gz AKMGNUQFRKCLIM-VIFPVBQESA-N -1 1 302.280 3.872 20 0 DHADMM [O-]c1ccc(-c2noc(-c3csc(C4CC4)n3)n2)cc1F ZINC000445476592 1017881349 /nfs/dbraw/zinc/88/13/49/1017881349.db2.gz FIOFGJYSULVBIA-UHFFFAOYSA-N -1 1 303.318 3.582 20 0 DHADMM COc1cc(C(=O)N([C@H](C)C(C)C)C2CC2)cc(Cl)c1[O-] ZINC000153659101 1017938792 /nfs/dbraw/zinc/93/87/92/1017938792.db2.gz KKDANLSNRRXGQY-SNVBAGLBSA-N -1 1 311.809 3.703 20 0 DHADMM COc1cc(C(=O)N2CCC3(C2)CCCCC3)cc(Cl)c1[O-] ZINC000153896319 1018065660 /nfs/dbraw/zinc/06/56/60/1018065660.db2.gz AVUUVYLIMSWMNO-UHFFFAOYSA-N -1 1 323.820 3.851 20 0 DHADMM CCOC(=O)Cc1ccc(Nc2cc(F)c([O-])cc2F)cc1 ZINC001212521410 1018150734 /nfs/dbraw/zinc/15/07/34/1018150734.db2.gz DKXXGQKBIRQEMN-UHFFFAOYSA-N -1 1 307.296 3.520 20 0 DHADMM CCOC(=O)Cc1cccc(Nc2c([O-])cc(F)cc2F)c1 ZINC001212525760 1018206054 /nfs/dbraw/zinc/20/60/54/1018206054.db2.gz ILWHQPKRYOJSRP-UHFFFAOYSA-N -1 1 307.296 3.520 20 0 DHADMM O=C(NCc1ccc(-c2cccnc2)cc1)c1ccc([O-])cc1F ZINC000154946581 1018225273 /nfs/dbraw/zinc/22/52/73/1018225273.db2.gz RFTVNKKHSIIJGZ-UHFFFAOYSA-N -1 1 322.339 3.523 20 0 DHADMM COc1cc(-c2nc([C@H]3CCCS3)no2)cc(Cl)c1[O-] ZINC000350599977 1018240893 /nfs/dbraw/zinc/24/08/93/1018240893.db2.gz DDSDKNJKLWJIKY-SNVBAGLBSA-N -1 1 312.778 3.672 20 0 DHADMM COc1cc(SC)ccc1NC(=O)c1ccc([O-])cc1F ZINC000193254169 1018260541 /nfs/dbraw/zinc/26/05/41/1018260541.db2.gz JICJHOBTZVGIKQ-UHFFFAOYSA-N -1 1 307.346 3.514 20 0 DHADMM Cc1ccsc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000525533965 1018316146 /nfs/dbraw/zinc/31/61/46/1018316146.db2.gz FEPPJMVRSOMCTP-UHFFFAOYSA-N -1 1 305.783 3.650 20 0 DHADMM O=C(Nc1nc(C2CCCCC2)cs1)c1ccc(O)cc1[O-] ZINC001171509101 1032760950 /nfs/dbraw/zinc/76/09/50/1032760950.db2.gz XBOHEZSLTSMQQX-UHFFFAOYSA-N -1 1 318.398 3.854 20 0 DHADMM Cc1noc(C)c1[C@H](C)Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000278250614 1018443745 /nfs/dbraw/zinc/44/37/45/1018443745.db2.gz TXAMVSIXHYKNIA-MRVPVSSYSA-N -1 1 317.320 3.532 20 0 DHADMM CCOc1cccc([C@H](C)NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000343286819 1018550997 /nfs/dbraw/zinc/55/09/97/1018550997.db2.gz NXJZCEKEDZVXHZ-JTQLQIEISA-N -1 1 321.323 3.560 20 0 DHADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)cc1 ZINC000448078337 1018567298 /nfs/dbraw/zinc/56/72/98/1018567298.db2.gz RRJZDIZPVXLMED-UHFFFAOYSA-N -1 1 323.389 3.531 20 0 DHADMM Cc1cccc([N-]S(=O)(=O)c2c(C)ccc3ncccc32)c1 ZINC000673983723 1018600051 /nfs/dbraw/zinc/60/00/51/1018600051.db2.gz XKOIYCHVRLXOJO-UHFFFAOYSA-N -1 1 312.394 3.652 20 0 DHADMM Cc1ccc(-c2ocnc2C(=O)Nc2cccc(F)c2[O-])cc1 ZINC001171632735 1032794868 /nfs/dbraw/zinc/79/48/68/1032794868.db2.gz MTJJJWUFSVKSEP-UHFFFAOYSA-N -1 1 312.300 3.747 20 0 DHADMM C[C@]1(CN=c2nc(C(F)(F)F)[n-]s2)C[C@H]1c1ccccc1 ZINC000338737618 1018925544 /nfs/dbraw/zinc/92/55/44/1018925544.db2.gz FDMVSXNKIOPNCH-GXFFZTMASA-N -1 1 313.348 3.585 20 0 DHADMM Cc1oc(CN2CC[C@H](c3c(F)cccc3F)C2)cc1C(=O)[O-] ZINC000565106086 1018972579 /nfs/dbraw/zinc/97/25/79/1018972579.db2.gz QROUPVAGVNCKTQ-NSHDSACASA-N -1 1 321.323 3.554 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N(C)C)cc1 ZINC000007060340 1019001054 /nfs/dbraw/zinc/00/10/54/1019001054.db2.gz BHBZNSVVBDMAPP-UHFFFAOYSA-N -1 1 324.833 3.515 20 0 DHADMM Cc1nc(SCC(=O)c2ccc([O-])cc2)n(CC(C)C)c1C ZINC000026051626 1019122593 /nfs/dbraw/zinc/12/25/93/1019122593.db2.gz AGCJNEZLYHJYBQ-UHFFFAOYSA-N -1 1 318.442 3.837 20 0 DHADMM C[C@H](c1ccc(Cl)c(Cl)c1)N1CC[C@@H](CNC(=O)[O-])C1 ZINC000739054394 1019368628 /nfs/dbraw/zinc/36/86/28/1019368628.db2.gz RFURWATXYSOIAF-ZJUUUORDSA-N -1 1 317.216 3.644 20 0 DHADMM COc1ccc(C(=O)Nc2cc(F)ccc2OC(C)C)c([O-])c1 ZINC000171250084 1019725545 /nfs/dbraw/zinc/72/55/45/1019725545.db2.gz HQCAVJSXIGYAMY-UHFFFAOYSA-N -1 1 319.332 3.579 20 0 DHADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@H](Cc2ccccc2)C1 ZINC000166133136 1019773958 /nfs/dbraw/zinc/77/39/58/1019773958.db2.gz DMJDYKGLXYDAJG-OAHLLOKOSA-N -1 1 313.372 3.626 20 0 DHADMM Cc1nc(-c2ccccc2)oc1C(=O)Nc1c([O-])cccc1F ZINC000080028492 1019923047 /nfs/dbraw/zinc/92/30/47/1019923047.db2.gz UMDXPVIETAJUBV-UHFFFAOYSA-N -1 1 312.300 3.747 20 0 DHADMM Cc1noc(C)c1COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730358914 1019980151 /nfs/dbraw/zinc/98/01/51/1019980151.db2.gz DOWRBHKJFBPBGN-UHFFFAOYSA-N -1 1 316.140 3.661 20 0 DHADMM O=C([N-]c1nnc(Cc2ccccc2)s1)c1ccc(Cl)o1 ZINC000021565564 1020362602 /nfs/dbraw/zinc/36/26/02/1020362602.db2.gz FNJHAHHWRKFTND-UHFFFAOYSA-N -1 1 319.773 3.628 20 0 DHADMM O=c1nc(N2CCC[C@H](c3ccc(F)cc3)CC2)cc(Cl)[n-]1 ZINC000858469230 1032908006 /nfs/dbraw/zinc/90/80/06/1032908006.db2.gz OSSJPBFTQFTGRR-NSHDSACASA-N -1 1 321.783 3.749 20 0 DHADMM O=c1nc(N2CCC(c3ccc(Cl)cc3)CC2)cc(Cl)[n-]1 ZINC000858487679 1032917381 /nfs/dbraw/zinc/91/73/81/1032917381.db2.gz FOVIZYFMFQUNOF-UHFFFAOYSA-N -1 1 324.211 3.873 20 0 DHADMM O=C(Nc1cccnc1OCc1ccccc1)c1ccccc1[O-] ZINC000612687733 1020672911 /nfs/dbraw/zinc/67/29/11/1020672911.db2.gz STMUZIJSFHCKTD-UHFFFAOYSA-N -1 1 320.348 3.619 20 0 DHADMM CSc1ccc([N-]S(=O)(=O)/C=C\c2ccc(C)cc2)nc1 ZINC000734976268 1020681655 /nfs/dbraw/zinc/68/16/55/1020681655.db2.gz PWLOIWRISWPXBC-KTKRTIGZSA-N -1 1 320.439 3.525 20 0 DHADMM COC1(C(=O)Nc2ccc([O-])c(Cl)c2)CCC(F)(F)CC1 ZINC000612759519 1020695084 /nfs/dbraw/zinc/69/50/84/1020695084.db2.gz KXCNWALWLIUSMD-UHFFFAOYSA-N -1 1 319.735 3.579 20 0 DHADMM CCN(Cc1occc1C)C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000413976626 1020749529 /nfs/dbraw/zinc/74/95/29/1020749529.db2.gz JOQOFLYATYWITH-UHFFFAOYSA-N -1 1 323.776 3.618 20 0 DHADMM O=c1nc(N[C@H]2C[C@H](c3cccc(Cl)c3)C2)cc(Cl)[n-]1 ZINC000858525549 1032931771 /nfs/dbraw/zinc/93/17/71/1032931771.db2.gz DXMMCNMHHPJXKL-HOMQSWHASA-N -1 1 310.184 3.847 20 0 DHADMM O=c1nc(N[C@@H]2CC[C@H](c3cccc(F)c3)C2)cc(Cl)[n-]1 ZINC000858524020 1032932894 /nfs/dbraw/zinc/93/28/94/1032932894.db2.gz BQWFEQZRJJJBFM-CMPLNLGQSA-N -1 1 307.756 3.723 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)C2CC3(CC3)C2)c1 ZINC000613304796 1020895554 /nfs/dbraw/zinc/89/55/54/1020895554.db2.gz JFOZSIBCWVBFGU-UHFFFAOYSA-N -1 1 310.191 3.592 20 0 DHADMM O=c1cc(C(F)F)nc(SC[C@@H]2CCC3(CCC3)CO2)[n-]1 ZINC000917745595 1021357718 /nfs/dbraw/zinc/35/77/18/1021357718.db2.gz DWYYXEFYHOFPLV-VIFPVBQESA-N -1 1 316.373 3.561 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H](CCF)C1 ZINC000618686597 1021477334 /nfs/dbraw/zinc/47/73/34/1021477334.db2.gz FGKUZOZQARCNAQ-ZDUSSCGKSA-N -1 1 301.361 3.757 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H](CCF)C1 ZINC000618687780 1021479936 /nfs/dbraw/zinc/47/99/36/1021479936.db2.gz WSWZXTWKFMJSRV-CYBMUJFWSA-N -1 1 301.361 3.757 20 0 DHADMM CCc1onc(C)c1CSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000918462942 1021526425 /nfs/dbraw/zinc/52/64/25/1021526425.db2.gz KUCCCHLPSSYGDO-UHFFFAOYSA-N -1 1 305.403 3.519 20 0 DHADMM CC(C)Oc1ccc(F)cc1NC(=O)c1ccc([O-])cc1F ZINC000181944039 1021533731 /nfs/dbraw/zinc/53/37/31/1021533731.db2.gz KZUDGGZWQHUOAW-UHFFFAOYSA-N -1 1 307.296 3.710 20 0 DHADMM CCc1ccc(C(=O)OCCc2cc(C(C)=O)ccc2[O-])cc1 ZINC000744488415 1021561383 /nfs/dbraw/zinc/56/13/83/1021561383.db2.gz ASTYWKIUGLGSRY-UHFFFAOYSA-N -1 1 312.365 3.557 20 0 DHADMM O=C(N[C@H]1CCCc2sccc21)c1cc(Cl)ccc1[O-] ZINC000061367906 1021575807 /nfs/dbraw/zinc/57/58/07/1021575807.db2.gz SRXJAIODEFVBFS-LBPRGKRZSA-N -1 1 307.802 3.915 20 0 DHADMM CCc1ccsc1C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744853368 1021612766 /nfs/dbraw/zinc/61/27/66/1021612766.db2.gz WIFGMFXKGFEAKZ-UHFFFAOYSA-N -1 1 318.394 3.618 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C[C@H]2CCC[C@H](C)C2)c1 ZINC000744911101 1021623131 /nfs/dbraw/zinc/62/31/31/1021623131.db2.gz QJHCQJTYEMBJSQ-ZFWWWQNUSA-N -1 1 318.413 3.897 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)CC2=CCCCC2)c1 ZINC000744973609 1021631516 /nfs/dbraw/zinc/63/15/16/1021631516.db2.gz KDYYPOPCGYEXNN-UHFFFAOYSA-N -1 1 302.370 3.571 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H](C)c2ccsc2)c1 ZINC000745068362 1021649303 /nfs/dbraw/zinc/64/93/03/1021649303.db2.gz ZNKMENWYLWBGLM-NSHDSACASA-N -1 1 318.394 3.546 20 0 DHADMM Cc1c(=O)[n-]c(S[C@H](C)C(F)(F)F)nc1-c1ccccc1 ZINC000185054975 1021928713 /nfs/dbraw/zinc/92/87/13/1021928713.db2.gz UKVSQYMXGIAEPP-SECBINFHSA-N -1 1 314.332 3.788 20 0 DHADMM CCC(=O)c1cc(C(=O)Nc2cc([O-])c(F)cc2F)ccc1F ZINC001625893761 1021991995 /nfs/dbraw/zinc/99/19/95/1021991995.db2.gz MGTYONGPIPELSM-UHFFFAOYSA-N -1 1 323.270 3.655 20 0 DHADMM CC(C)[C@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CC1 ZINC000620044671 1022027019 /nfs/dbraw/zinc/02/70/19/1022027019.db2.gz LVXAKQYUJMLBQS-ZDUSSCGKSA-N -1 1 301.308 3.575 20 0 DHADMM C[C@@H]1[C@H](C(=O)[O-])CCCN1Cc1cc(Cl)cc(Cl)c1 ZINC000263026242 1022033848 /nfs/dbraw/zinc/03/38/48/1022033848.db2.gz GEKGYHLEIXMOCL-NOZJJQNGSA-N -1 1 302.201 3.679 20 0 DHADMM CC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Br)c([O-])c1 ZINC000620430638 1022150000 /nfs/dbraw/zinc/15/00/00/1022150000.db2.gz JVESUSYAWFQLLR-CLYYMRHHSA-N -1 1 324.218 3.558 20 0 DHADMM C[C@H](C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@H](C)C(C)(C)C ZINC001168922564 1022183770 /nfs/dbraw/zinc/18/37/70/1022183770.db2.gz OONLACNXUKTGGW-STQMWFEESA-N -1 1 315.417 3.835 20 0 DHADMM C[C@@H](C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@H](C)C(C)(C)C ZINC001168922562 1022184999 /nfs/dbraw/zinc/18/49/99/1022184999.db2.gz OONLACNXUKTGGW-OLZOCXBDSA-N -1 1 315.417 3.835 20 0 DHADMM O=C(NCc1ccc([O-])c(Cl)c1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000876393137 1033035468 /nfs/dbraw/zinc/03/54/68/1033035468.db2.gz DCMQYXUCAIBHKD-JSGCOSHPSA-N -1 1 308.809 3.520 20 0 DHADMM O=C(c1ncc2ccccc2c1[O-])N(CCC1CC1)CC1CC1 ZINC000620632493 1022209726 /nfs/dbraw/zinc/20/97/26/1022209726.db2.gz YYIDMWRMXDRUGN-UHFFFAOYSA-N -1 1 310.397 3.593 20 0 DHADMM CC[C@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)[C@H]1CC1(C)C ZINC000416276452 1022230850 /nfs/dbraw/zinc/23/08/50/1022230850.db2.gz MQVZKQUSQGIVSH-PWSUYJOCSA-N -1 1 311.809 3.609 20 0 DHADMM O=c1nc(CC(F)(F)F)[n-]c2sc(C(F)(F)F)cc21 ZINC000416412880 1022313767 /nfs/dbraw/zinc/31/37/67/1022313767.db2.gz OENOCTJKFOMVMD-UHFFFAOYSA-N -1 1 302.199 3.521 20 0 DHADMM Cc1ccc(C[C@@H](C)NC(=O)c2ccc([O-])cc2F)c(C)c1 ZINC000154876448 1022342369 /nfs/dbraw/zinc/34/23/69/1022342369.db2.gz YHXXLPVHMJMJOE-CYBMUJFWSA-N -1 1 301.361 3.509 20 0 DHADMM COCCC1(C(=O)Nc2cc(F)c([O-])cc2Cl)CCCC1 ZINC000885675773 1022443126 /nfs/dbraw/zinc/44/31/26/1022443126.db2.gz 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CCOc1cc(C(=O)NC2(C3CC3)CCC2)cc(Cl)c1[O-] ZINC000925701946 1023276158 /nfs/dbraw/zinc/27/61/58/1023276158.db2.gz IMDCCIKJONKSPD-UHFFFAOYSA-N -1 1 309.793 3.507 20 0 DHADMM CC[C@@H](C)OCC[C@@H](C)Nc1c(C)c(=O)[n-]n1-c1ccccc1 ZINC001172352835 1033133334 /nfs/dbraw/zinc/13/33/34/1033133334.db2.gz UHWRBMVHFYFXHD-ZIAGYGMSSA-N -1 1 317.433 3.892 20 0 DHADMM O=C([N-][C@H](c1ccc(F)cc1)c1ccccc1Cl)C(F)F ZINC000787047707 1023752582 /nfs/dbraw/zinc/75/25/82/1023752582.db2.gz CRDWAWMUYHXBJF-CYBMUJFWSA-N -1 1 313.706 3.950 20 0 DHADMM O=S(=O)([N-]c1cccc(F)c1F)c1cccc(Cl)c1F ZINC000049375344 1023769472 /nfs/dbraw/zinc/76/94/72/1023769472.db2.gz MFMWOKRXBFUICV-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1c([O-])cccc1Cl ZINC000787495058 1023797934 /nfs/dbraw/zinc/79/79/34/1023797934.db2.gz OEVABWDCNWCIRJ-SNVBAGLBSA-N -1 1 321.726 3.849 20 0 DHADMM C[C@@H](CNC(=O)c1cc2ccccc2cc1[O-])c1nccs1 ZINC000184306182 1023834675 /nfs/dbraw/zinc/83/46/75/1023834675.db2.gz GGWMFOXSEIVHDK-NSHDSACASA-N -1 1 312.394 3.535 20 0 DHADMM CCc1cc(=O)[n-]c(SC[C@@H]2CC[C@@H](c3ccccc3)O2)n1 ZINC000882154997 1023979635 /nfs/dbraw/zinc/97/96/35/1023979635.db2.gz CMGMNRCDMVLAQL-GJZGRUSLSA-N -1 1 316.426 3.757 20 0 DHADMM Cc1cnc(SC[C@H]2CC[C@H](c3ccccc3)O2)[n-]c1=O ZINC000882174946 1023986701 /nfs/dbraw/zinc/98/67/01/1023986701.db2.gz XWXNZHDBJAEPRU-ZIAGYGMSSA-N -1 1 302.399 3.503 20 0 DHADMM Cc1nc(SC[C@H]2CCC3(CCC3)O2)[n-]c(=O)c1C1CC1 ZINC000882277477 1024013885 /nfs/dbraw/zinc/01/38/85/1024013885.db2.gz MAFVGYJBLIFZOD-GFCCVEGCSA-N -1 1 306.431 3.562 20 0 DHADMM Cc1c(=O)[n-]n(-c2ccccc2)c1N[C@H](C)CCOCC(C)C ZINC001172468898 1033187992 /nfs/dbraw/zinc/18/79/92/1033187992.db2.gz QBIRKKVGJCSWOD-CQSZACIVSA-N -1 1 317.433 3.749 20 0 DHADMM C[C@@H](CC(=O)Nc1nc(Cl)ccc1[O-])c1ccc(F)cc1 ZINC000789930190 1024184920 /nfs/dbraw/zinc/18/49/20/1024184920.db2.gz GQWJTCXUFIERFG-VIFPVBQESA-N -1 1 308.740 3.712 20 0 DHADMM Cc1[nH]c2c(cccc2C(=O)Nc2nc(Cl)ccc2[O-])c1C ZINC000789930518 1024185127 /nfs/dbraw/zinc/18/51/27/1024185127.db2.gz UJGKUDUPCUORNO-UHFFFAOYSA-N -1 1 315.760 3.791 20 0 DHADMM CC(C)(C)n1nc(C(=O)Nc2ccc(F)cc2[O-])cc1C1CC1 ZINC000268989523 1024211785 /nfs/dbraw/zinc/21/17/85/1024211785.db2.gz DMAFGMXWBIBHRC-UHFFFAOYSA-N -1 1 317.364 3.613 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])c1occc1-c1ccccc1 ZINC000790055093 1024215046 /nfs/dbraw/zinc/21/50/46/1024215046.db2.gz CBKDXMCAXAQRRN-UHFFFAOYSA-N -1 1 314.728 3.953 20 0 DHADMM O=C(NC[C@@H]1CCC2(CCCCC2)O1)c1c([O-])cccc1Cl ZINC000791187217 1024448495 /nfs/dbraw/zinc/44/84/95/1024448495.db2.gz AJZMUWTVJNDSDG-LBPRGKRZSA-N -1 1 323.820 3.657 20 0 DHADMM COc1cc(-c2ccc([O-])c(F)c2F)ccc1OC(F)F ZINC001243342881 1024527973 /nfs/dbraw/zinc/52/79/73/1024527973.db2.gz NWYDQEJGVMZVKD-UHFFFAOYSA-N -1 1 302.223 3.947 20 0 DHADMM CC1(C)CN(C(=O)c2c(F)ccc([O-])c2F)Cc2ccccc21 ZINC000348969498 1024656359 /nfs/dbraw/zinc/65/63/59/1024656359.db2.gz UPNHDWXASNYWQG-UHFFFAOYSA-N -1 1 317.335 3.604 20 0 DHADMM C[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ccc(Cl)cn1 ZINC000792450739 1024671479 /nfs/dbraw/zinc/67/14/79/1024671479.db2.gz QSOCQEVEIGRING-MRVPVSSYSA-N -1 1 311.168 3.585 20 0 DHADMM CCOC(=O)c1cnc(C(C)=Cc2ccc3occc3c2)[n-]c1=O ZINC000349112699 1024676864 /nfs/dbraw/zinc/67/68/64/1024676864.db2.gz PFIVJOZROOSJGS-FLIBITNWSA-N -1 1 324.336 3.666 20 0 DHADMM CC(C)c1cccnc1[N-]S(=O)(=O)/C=C\c1ccccc1F ZINC000800041094 1024680958 /nfs/dbraw/zinc/68/09/58/1024680958.db2.gz IMJDPPZAZCAEIB-LUAWRHEFSA-N -1 1 320.389 3.757 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2occc2C(C)C)c1 ZINC000792616319 1024728504 /nfs/dbraw/zinc/72/85/04/1024728504.db2.gz RRQQFRILKYYQRE-UHFFFAOYSA-N -1 1 316.353 3.711 20 0 DHADMM O=C(Nc1cc(F)c(F)cc1[O-])Nc1cc(F)ccc1F ZINC001202658971 1024786570 /nfs/dbraw/zinc/78/65/70/1024786570.db2.gz NIYUEUFYSRFFFU-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)/C(C)=C/C(C)(C)C)c1 ZINC000772821160 1024794243 /nfs/dbraw/zinc/79/42/43/1024794243.db2.gz IGONBEGQJFWDRF-VAWYXSNFSA-N -1 1 304.386 3.673 20 0 DHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1c[nH]c2ccccc12 ZINC000888113483 1024800772 /nfs/dbraw/zinc/80/07/72/1024800772.db2.gz JKAPBEUUKDRBBU-UHFFFAOYSA-N -1 1 324.384 3.522 20 0 DHADMM CC1(C)CCC[C@@H](CNC(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC001299416815 1024892707 /nfs/dbraw/zinc/89/27/07/1024892707.db2.gz PMRLZYFFJAMTCT-CYBMUJFWSA-N -1 1 309.837 3.921 20 0 DHADMM O=C([N-]c1nc(-c2cccs2)ns1)c1c(F)cccc1F ZINC000353618752 1025157634 /nfs/dbraw/zinc/15/76/34/1025157634.db2.gz MVWGAZPBQPARKF-UHFFFAOYSA-N -1 1 323.349 3.797 20 0 DHADMM CCc1ccc(N(CC(C)C)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000794135517 1025225029 /nfs/dbraw/zinc/22/50/29/1025225029.db2.gz VCNMXPUZPPITGE-UHFFFAOYSA-N -1 1 313.397 3.963 20 0 DHADMM C[C@@H](N(C)C(=O)c1ccc(Br)cc1[O-])C(C)(C)C ZINC000044491273 1025255605 /nfs/dbraw/zinc/25/56/05/1025255605.db2.gz YTPQTAUJVCGPTQ-SECBINFHSA-N -1 1 314.223 3.661 20 0 DHADMM O=C([N-]c1ccnc(Cl)c1F)c1ocnc1-c1ccccc1 ZINC001129621322 1025360620 /nfs/dbraw/zinc/36/06/20/1025360620.db2.gz TYTBEYUODRQERO-UHFFFAOYSA-N -1 1 317.707 3.781 20 0 DHADMM CCCCCC[C@H](C)C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129639969 1025368650 /nfs/dbraw/zinc/36/86/50/1025368650.db2.gz VSJUSTHAWDFRGH-LBPRGKRZSA-N -1 1 305.422 3.606 20 0 DHADMM CCC(C)(C)OCc1ccccc1NC(=O)c1cncc([O-])c1 ZINC000354764326 1025499029 /nfs/dbraw/zinc/49/90/29/1025499029.db2.gz AYPJNRDWDPOLOJ-UHFFFAOYSA-N -1 1 314.385 3.745 20 0 DHADMM Cc1ccc(C(C)C)cc1OS(=O)(=O)c1cnc(C(C)C)[n-]1 ZINC000747233980 1025549594 /nfs/dbraw/zinc/54/95/94/1025549594.db2.gz PMVWASPKPORNHF-UHFFFAOYSA-N -1 1 322.430 3.733 20 0 DHADMM Cc1ccc(C(C)C)cc1OS(=O)(=O)c1c[n-]c(C(C)C)n1 ZINC000747233980 1025549608 /nfs/dbraw/zinc/54/96/08/1025549608.db2.gz PMVWASPKPORNHF-UHFFFAOYSA-N -1 1 322.430 3.733 20 0 DHADMM C[C@@]1(CNC(=O)c2c(F)ccc([O-])c2F)C[C@@H]1c1ccccc1 ZINC000355033693 1025586440 /nfs/dbraw/zinc/58/64/40/1025586440.db2.gz XGHSHLYZPRVUPY-XIKOKIGWSA-N -1 1 317.335 3.594 20 0 DHADMM COc1ccc(Nc2cc(Cl)c([O-])cc2Cl)c(CO)c1 ZINC001211745360 1025760525 /nfs/dbraw/zinc/76/05/25/1025760525.db2.gz SZZVWQQPTBYNGS-UHFFFAOYSA-N -1 1 314.168 3.944 20 0 DHADMM CCC1(NC(=O)c2cc(-c3ccc(C=O)o3)ccc2[O-])CCC1 ZINC001137229699 1025814141 /nfs/dbraw/zinc/81/41/41/1025814141.db2.gz SVLLIBNQMONGAT-UHFFFAOYSA-N -1 1 313.353 3.527 20 0 DHADMM [O-]c1cccc(CNc2ccc3c(c2)OCCCO3)c1Cl ZINC000393217689 1025958509 /nfs/dbraw/zinc/95/85/09/1025958509.db2.gz APTLIYSQRXOZFV-UHFFFAOYSA-N -1 1 305.761 3.819 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC[C@@H](C(C)C)CC1 ZINC000747395094 1026060010 /nfs/dbraw/zinc/06/00/10/1026060010.db2.gz FJSPVVCKUUBGQW-CQSZACIVSA-N -1 1 319.449 3.512 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC[C@@H]1CCCC[C@@H]1C ZINC000747396114 1026062689 /nfs/dbraw/zinc/06/26/89/1026062689.db2.gz VYGYYNGHMDBYLA-JSGCOSHPSA-N -1 1 319.449 3.560 20 0 DHADMM Cn1ncc2c1nc(Oc1ccc(-c3ccccc3)cc1)[n-]c2=O ZINC000356505348 1026068497 /nfs/dbraw/zinc/06/84/97/1026068497.db2.gz LZZIVOYQGWOQRU-UHFFFAOYSA-N -1 1 318.336 3.528 20 0 DHADMM CC(C)(C)c1nnc([N-]C(=O)c2ccoc2C(F)(F)F)s1 ZINC000289603356 1026095170 /nfs/dbraw/zinc/09/51/70/1026095170.db2.gz NTHQSOLSVTXQTM-UHFFFAOYSA-N -1 1 319.308 3.700 20 0 DHADMM Cc1ccc(C(F)(F)C(=O)[N-][C@H](C2CC2)C(F)(F)F)cc1 ZINC000807906003 1026144734 /nfs/dbraw/zinc/14/47/34/1026144734.db2.gz JKNREEPETGHUPW-LLVKDONJSA-N -1 1 307.262 3.544 20 0 DHADMM COc1cc(C(=O)Nc2cncc(C(C)C)c2)cc(Cl)c1[O-] ZINC000888242633 1026362932 /nfs/dbraw/zinc/36/29/32/1026362932.db2.gz NADGNELTMFXJDL-UHFFFAOYSA-N -1 1 320.776 3.825 20 0 DHADMM Cc1nc(SCCC(Cl)(Cl)Cl)[n-]c(=O)c1C ZINC000767138633 1026523030 /nfs/dbraw/zinc/52/30/30/1026523030.db2.gz BKVQSSFFDJOWIQ-UHFFFAOYSA-N -1 1 301.626 3.651 20 0 DHADMM COC(=O)c1ccc(OC)c(-c2c(Cl)ccc([O-])c2F)c1 ZINC001244543166 1026769286 /nfs/dbraw/zinc/76/92/86/1026769286.db2.gz PFWDWOAEQOVXNK-UHFFFAOYSA-N -1 1 310.708 3.647 20 0 DHADMM O=C(Oc1ccc2c[nH]nc2c1)c1cc2cc(Cl)sc2[n-]1 ZINC000810608537 1026806817 /nfs/dbraw/zinc/80/68/17/1026806817.db2.gz SURQQFUCFDMJOS-UHFFFAOYSA-N -1 1 317.757 3.978 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@@H](CC(F)(F)F)C1 ZINC000421939414 1027087112 /nfs/dbraw/zinc/08/71/12/1027087112.db2.gz LMIRHBKBDIQUTR-VIFPVBQESA-N -1 1 321.726 3.850 20 0 DHADMM Oc1cccnc1C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000561950419 1027140012 /nfs/dbraw/zinc/14/00/12/1027140012.db2.gz CYHXUQSLKBDIQE-INIZCTEOSA-N -1 1 304.340 3.793 20 0 DHADMM CCOC(=O)/C(=C/c1ccc([O-])c(Cl)c1)c1ccnc(F)c1 ZINC000812247666 1027224983 /nfs/dbraw/zinc/22/49/83/1027224983.db2.gz SNRKTFAODKNONV-KPKJPENVSA-N -1 1 321.735 3.683 20 0 DHADMM CCC(=O)c1ccc(O)c(NC(=O)c2cccc(Cl)c2[O-])c1 ZINC000812708051 1027377578 /nfs/dbraw/zinc/37/75/78/1027377578.db2.gz JYKXDOGADQQUMO-UHFFFAOYSA-N -1 1 319.744 3.596 20 0 DHADMM C[C@H]1CCCC[C@@H]1OCCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000574797517 1027427859 /nfs/dbraw/zinc/42/78/59/1027427859.db2.gz DPXIOGSFOCIWKJ-ONGXEEELSA-N -1 1 318.389 3.807 20 0 DHADMM Cc1cccc(Cc2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000562556047 1027497334 /nfs/dbraw/zinc/49/73/34/1027497334.db2.gz NKSIRPHRJSOCHD-UHFFFAOYSA-N -1 1 300.745 3.995 20 0 DHADMM CC(C)CCc1nc(CN2[C@H](C)[C@H](C(=O)[O-])CC[C@@H]2C)cs1 ZINC000576649759 1027642314 /nfs/dbraw/zinc/64/23/14/1027642314.db2.gz HFULKHXFDXQVQC-GZBFAFLISA-N -1 1 324.490 3.805 20 0 DHADMM C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000296783162 1027732107 /nfs/dbraw/zinc/73/21/07/1027732107.db2.gz DWMOUDAYFJLCOV-IUCAKERBSA-N -1 1 321.726 3.849 20 0 DHADMM O=C(CCOc1cccc(F)c1)Nc1ccc([O-])c(Cl)c1 ZINC000601053585 1027959016 /nfs/dbraw/zinc/95/90/16/1027959016.db2.gz GDZORWIXEMJRFM-UHFFFAOYSA-N -1 1 309.724 3.592 20 0 DHADMM Cc1cnc(S[C@@H](C)C(=O)c2ccc(C(C)C)cc2)[n-]c1=O ZINC000563440100 1028044297 /nfs/dbraw/zinc/04/42/97/1028044297.db2.gz OLGXQHGJEJZASS-LBPRGKRZSA-N -1 1 316.426 3.978 20 0 DHADMM CSc1ccc([C@@H](C)NC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000578175853 1028078978 /nfs/dbraw/zinc/07/89/78/1028078978.db2.gz ZTMKJTVGOQWOSF-SECBINFHSA-N -1 1 323.364 3.883 20 0 DHADMM CCOc1cc(C(=O)NCC(C2CC2)C2CC2)cc(Cl)c1[O-] ZINC000578270029 1028108313 /nfs/dbraw/zinc/10/83/13/1028108313.db2.gz SHRDRRQTGVKMIW-UHFFFAOYSA-N -1 1 323.820 3.610 20 0 DHADMM C[C@@H]1[C@H](NC(=O)c2c(F)ccc([O-])c2F)C[C@H]1c1ccccc1 ZINC000368051719 1028293077 /nfs/dbraw/zinc/29/30/77/1028293077.db2.gz PJXUZEVXQMTOJG-ZKYQVNSYSA-N -1 1 317.335 3.592 20 0 DHADMM O=C([N-]c1nnc(C2CCCCC2)s1)c1ncoc1C1CC1 ZINC000815085653 1028356081 /nfs/dbraw/zinc/35/60/81/1028356081.db2.gz DEHARLKESVZORF-UHFFFAOYSA-N -1 1 318.402 3.704 20 0 DHADMM CCCC1(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC001545688953 1028426803 /nfs/dbraw/zinc/42/68/03/1028426803.db2.gz QDMGRLSZSKNTSW-UHFFFAOYSA-N -1 1 301.308 3.721 20 0 DHADMM CC(C)c1cccc(CNC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000565509048 1028596867 /nfs/dbraw/zinc/59/68/67/1028596867.db2.gz UQTHUCXYEDRRIA-UHFFFAOYSA-N -1 1 305.324 3.724 20 0 DHADMM O=C(NC1CCCCCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC001135252716 1028641529 /nfs/dbraw/zinc/64/15/29/1028641529.db2.gz CNYXXZWKOZGBRC-UHFFFAOYSA-N -1 1 301.308 3.864 20 0 DHADMM COc1ccc(CN(C)Cc2cccc([O-])c2Cl)cc1F ZINC000816482551 1028893591 /nfs/dbraw/zinc/89/35/91/1028893591.db2.gz KBRHWICZHRZCLX-UHFFFAOYSA-N -1 1 309.768 3.825 20 0 DHADMM O=C(NC[C@H](c1ccccc1)C1CC1)c1c([O-])cccc1Cl ZINC000817089406 1029072746 /nfs/dbraw/zinc/07/27/46/1029072746.db2.gz WXJSWLKKSCYZFD-CQSZACIVSA-N -1 1 315.800 3.969 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCCC(F)(F)CC1 ZINC000628637431 1029108615 /nfs/dbraw/zinc/10/86/15/1029108615.db2.gz RDOBUKRPNWUJRK-UHFFFAOYSA-N -1 1 305.324 3.807 20 0 DHADMM COc1cc(NCc2c([O-])ccc(Cl)c2F)cc(OC)c1 ZINC000190813540 1029165373 /nfs/dbraw/zinc/16/53/73/1029165373.db2.gz VMSVOEMOLYSKTE-UHFFFAOYSA-N -1 1 311.740 3.814 20 0 DHADMM O=C(Nc1ccc(-c2nccs2)cc1)c1cccc([O-])c1F ZINC001136005213 1029254418 /nfs/dbraw/zinc/25/44/18/1029254418.db2.gz MKSDZEGAPFDVBB-UHFFFAOYSA-N -1 1 314.341 3.907 20 0 DHADMM CCOC(=O)c1c(F)cncc1-c1c(F)ccc([O-])c1Cl ZINC001245831503 1029331538 /nfs/dbraw/zinc/33/15/38/1029331538.db2.gz LQUQGQMKVBWBRU-UHFFFAOYSA-N -1 1 313.687 3.563 20 0 DHADMM O=C(C[C@@H](c1ccc(O)cc1)C1CC1)Nc1ccc(F)cc1[O-] ZINC000412188505 1029355486 /nfs/dbraw/zinc/35/54/86/1029355486.db2.gz BUJQAMDFLUDTNM-OAHLLOKOSA-N -1 1 315.344 3.759 20 0 DHADMM CC(C)[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2Cl)CCS1 ZINC000570730549 1029410115 /nfs/dbraw/zinc/41/01/15/1029410115.db2.gz WEJAJHMTCYQWAY-AWEZNQCLSA-N -1 1 313.850 3.612 20 0 DHADMM Cc1cc(CN2CC[C@@H](c3c(F)cccc3F)C2)oc1C(=O)[O-] ZINC000570855888 1029430951 /nfs/dbraw/zinc/43/09/51/1029430951.db2.gz ZOTPZTZHEONKKH-LLVKDONJSA-N -1 1 321.323 3.554 20 0 DHADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1 ZINC000007402295 1029480868 /nfs/dbraw/zinc/48/08/68/1029480868.db2.gz XNEDUXLTKPUTJE-UHFFFAOYSA-N -1 1 307.390 3.924 20 0 DHADMM O=c1cc(C(F)(F)F)nc(SC[C@@H]2CCC(F)(F)C2)[n-]1 ZINC000450838000 1029708499 /nfs/dbraw/zinc/70/84/99/1029708499.db2.gz NWLFPAZIOCPRHQ-ZCFIWIBFSA-N -1 1 314.279 3.729 20 0 DHADMM CCC(CC)[C@@H](NC(=O)c1ncccc1[O-])c1cccs1 ZINC001136365435 1029756964 /nfs/dbraw/zinc/75/69/64/1029756964.db2.gz VVXGKNLCMIMMGY-CQSZACIVSA-N -1 1 304.415 3.756 20 0 DHADMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)[N@@H+]1Cc1cccc(C(F)(F)F)c1 ZINC000530179668 1029775272 /nfs/dbraw/zinc/77/52/72/1029775272.db2.gz NPBPRUKNKYXRAT-PTEHBNRSSA-N -1 1 315.335 3.779 20 0 DHADMM CC(C)N(Cc1cccc(F)c1)C(=O)c1ccc(F)c([O-])c1 ZINC001136390492 1029787127 /nfs/dbraw/zinc/78/71/27/1029787127.db2.gz HLBBYJICOXHAJK-UHFFFAOYSA-N -1 1 305.324 3.721 20 0 DHADMM O=C(Cc1csc(C2CC2)n1)Nc1ccc([O-])c(Cl)c1 ZINC000821147276 1029817589 /nfs/dbraw/zinc/81/75/89/1029817589.db2.gz CNZIYJBPCPOSFJ-UHFFFAOYSA-N -1 1 308.790 3.561 20 0 DHADMM CC(C)[C@H]1CC[C@@H](C)C[C@H]1CNC(=O)c1cc(F)ccc1[O-] ZINC001136488018 1029864314 /nfs/dbraw/zinc/86/43/14/1029864314.db2.gz CKARODQWHRNCSE-VNHYZAJKSA-N -1 1 307.409 3.970 20 0 DHADMM Cc1c(C(=O)Nc2ccc([O-])c(Cl)c2)cnn1CCC(C)C ZINC000357350531 1030014443 /nfs/dbraw/zinc/01/44/43/1030014443.db2.gz DDNQIICRLSCFNG-UHFFFAOYSA-N -1 1 321.808 3.849 20 0 DHADMM CC[C@H](C)CO[N-]C(=O)[C@H](C)c1ccccc1C(F)(F)F ZINC000794867656 1030029212 /nfs/dbraw/zinc/02/92/12/1030029212.db2.gz ZQXFVIOISZEGSZ-WDEREUQCSA-N -1 1 303.324 3.903 20 0 DHADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(Cl)cc2)[n-]c1=O ZINC000357401836 1030036687 /nfs/dbraw/zinc/03/66/87/1030036687.db2.gz QSTMYAFBFJPMRU-NTMALXAHSA-N -1 1 318.760 3.573 20 0 DHADMM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1cc(C2CC2)ccn1 ZINC000290932140 1030252730 /nfs/dbraw/zinc/25/27/30/1030252730.db2.gz KBNQUJSZZXNADP-UHFFFAOYSA-N -1 1 322.817 3.554 20 0 DHADMM C[C@H](NC(=O)c1ccc(F)c([O-])c1)c1nc2ccccc2s1 ZINC001136818471 1030471370 /nfs/dbraw/zinc/47/13/70/1030471370.db2.gz ZTDFOMWNNJIDDR-VIFPVBQESA-N -1 1 316.357 3.632 20 0 DHADMM O=C(Nc1ccccc1CC(F)(F)F)c1cccc([O-])c1F ZINC001136833072 1030491206 /nfs/dbraw/zinc/49/12/06/1030491206.db2.gz BXAKWVURVSGQIS-UHFFFAOYSA-N -1 1 313.250 3.888 20 0 DHADMM Cc1nc(C(C)C)oc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000291857668 1030670294 /nfs/dbraw/zinc/67/02/94/1030670294.db2.gz HGRTXHCPOUBRJO-UHFFFAOYSA-N -1 1 303.293 3.668 20 0 DHADMM CCC[C@@H](C)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000825010880 1030686438 /nfs/dbraw/zinc/68/64/38/1030686438.db2.gz AMSSKZDAVYCUAO-LLVKDONJSA-N -1 1 302.340 3.774 20 0 DHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@@H](C)C2CCC2)c1 ZINC000825011815 1030696897 /nfs/dbraw/zinc/69/68/97/1030696897.db2.gz YMPNKUANNIOWOA-NSHDSACASA-N -1 1 314.351 3.774 20 0 DHADMM CC[C@@H](C)c1nnc([C@@H](C)NCc2cccc([O-])c2Cl)[nH]1 ZINC000292746212 1031154969 /nfs/dbraw/zinc/15/49/69/1031154969.db2.gz ASUFBVHUNVVGGJ-NXEZZACHSA-N -1 1 308.813 3.528 20 0 DHADMM C[C@@H]1[C@H](C(=O)[O-])CCCN1Cc1csc(-c2cccs2)n1 ZINC000263015070 1031161441 /nfs/dbraw/zinc/16/14/41/1031161441.db2.gz CSEFEADLDXPSDQ-ZYHUDNBSSA-N -1 1 322.455 3.557 20 0 DHADMM CCCCc1nc(CN2CCC[C@H](CCC(=O)[O-])C2)cs1 ZINC000263159249 1031170206 /nfs/dbraw/zinc/17/02/06/1031170206.db2.gz QKBRQLPPDUQEPM-CYBMUJFWSA-N -1 1 310.463 3.563 20 0 DHADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1cc(C(F)(F)F)ccc1F ZINC000263319685 1031182864 /nfs/dbraw/zinc/18/28/64/1031182864.db2.gz JIPMCGXQGCPOIK-UWVGGRQHSA-N -1 1 319.298 3.530 20 0 DHADMM Cc1cccc(C2=CC[N@@H+](Cc3cccc(C(=O)[O-])c3)CC2)c1 ZINC000263403975 1031189323 /nfs/dbraw/zinc/18/93/23/1031189323.db2.gz JAHSYQYJMORGIL-UHFFFAOYSA-N -1 1 307.393 3.983 20 0 DHADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@@](F)(c2ccccc2)C1 ZINC000871372621 1031211209 /nfs/dbraw/zinc/21/12/09/1031211209.db2.gz UEZGVBVPAWMWJG-SFHVURJKSA-N -1 1 317.335 3.632 20 0 DHADMM CC1(C)CCc2c([n-]n(Cc3cccc4cccnc43)c2=O)C1 ZINC000871946779 1031386339 /nfs/dbraw/zinc/38/63/39/1031386339.db2.gz XTHVLBUSUGNTAM-HNNXBMFYSA-N -1 1 307.397 3.759 20 0 DHADMM Cc1cc([C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])on1 ZINC000536685238 1031393507 /nfs/dbraw/zinc/39/35/07/1031393507.db2.gz IRLNOQGIPZYUGC-INIZCTEOSA-N -1 1 322.364 3.819 20 0 DHADMM CO[C@@H]1CCCC[C@@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000293322801 1031427274 /nfs/dbraw/zinc/42/72/74/1031427274.db2.gz YEPSHHAUFGJXSP-WCQYABFASA-N -1 1 308.765 3.768 20 0 DHADMM C[C@@]1(C(F)(F)F)CCN(Cc2ccc(C(=O)[O-])c(Cl)c2)C1 ZINC000872166491 1031543304 /nfs/dbraw/zinc/54/33/04/1031543304.db2.gz KJXULTUMAUYNTI-CYBMUJFWSA-N -1 1 321.726 3.813 20 0 DHADMM CC(=O)c1cc(F)c([N-]C(=O)c2cnc(C3CC3)s2)c(F)c1 ZINC000537449455 1031600645 /nfs/dbraw/zinc/60/06/45/1031600645.db2.gz ZUNLIKNLNGRLIX-UHFFFAOYSA-N -1 1 322.336 3.754 20 0 DHADMM C[C@H]1Cc2ccccc2N(C(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC001144505247 1031650729 /nfs/dbraw/zinc/65/07/29/1031650729.db2.gz HMIWXWYDQDRGMR-LBPRGKRZSA-N -1 1 315.800 3.814 20 0 DHADMM [O-]c1cc(F)c(CN2Cc3ccccc3C(F)(F)C2)c(F)c1 ZINC001144542462 1031687197 /nfs/dbraw/zinc/68/71/97/1031687197.db2.gz YQUBOOOYWPPAMX-UHFFFAOYSA-N -1 1 311.278 3.778 20 0 DHADMM Cc1ccc(C(=O)Nc2cc(F)cc(F)c2[O-])c2ncccc12 ZINC001142545693 1031996395 /nfs/dbraw/zinc/99/63/95/1031996395.db2.gz HFAASFWQJVCRTK-UHFFFAOYSA-N -1 1 314.291 3.779 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c(F)c1 ZINC000105388607 1032035656 /nfs/dbraw/zinc/03/56/56/1032035656.db2.gz YJNIMANKNSUOJQ-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM CCOc1ccccc1-c1noc(-c2ncc(C(F)(F)F)[n-]2)n1 ZINC001212689707 1033462098 /nfs/dbraw/zinc/46/20/98/1033462098.db2.gz NGYMBVJECGLFFN-UHFFFAOYSA-N -1 1 324.262 3.544 20 0 DHADMM CCOc1ccccc1-c1noc(-c2nc(C(F)(F)F)c[n-]2)n1 ZINC001212689707 1033462103 /nfs/dbraw/zinc/46/21/03/1033462103.db2.gz NGYMBVJECGLFFN-UHFFFAOYSA-N -1 1 324.262 3.544 20 0 DHADMM CC(C)[N@@H+](Cc1nnc(-c2ccccc2O)o1)Cc1ccccc1 ZINC000877949746 1033526014 /nfs/dbraw/zinc/52/60/14/1033526014.db2.gz BIPUETCMXQJSRN-UHFFFAOYSA-N -1 1 323.396 3.853 20 0 DHADMM COc1cc([N-]S(=O)(=O)c2cc(C)cc(F)c2)c(C)cc1C ZINC000478725047 1033568161 /nfs/dbraw/zinc/56/81/61/1033568161.db2.gz QEKSTZARKRGAPB-UHFFFAOYSA-N -1 1 323.389 3.560 20 0 DHADMM O=C(NC1(Cc2ccccc2)CCC1)c1cc(Cl)ccc1[O-] ZINC001137250699 1033621095 /nfs/dbraw/zinc/62/10/95/1033621095.db2.gz BRXMKDVHODJFON-UHFFFAOYSA-N -1 1 315.800 3.941 20 0 DHADMM Cc1noc(C)c1[N-]C(=O)c1cc(-c2ccccc2Cl)on1 ZINC000063447175 1033651857 /nfs/dbraw/zinc/65/18/57/1033651857.db2.gz SPEWQSGLSYFBPU-UHFFFAOYSA-N -1 1 317.732 3.852 20 0 DHADMM O=S(=O)([N-]c1ccnc(-c2ccccc2)c1)c1ccccc1 ZINC000479239849 1033693741 /nfs/dbraw/zinc/69/37/41/1033693741.db2.gz FXDPEBQDVZRTPJ-UHFFFAOYSA-N -1 1 310.378 3.549 20 0 DHADMM CCC[C@@](C)(CC)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000479730487 1033878207 /nfs/dbraw/zinc/87/82/07/1033878207.db2.gz QNIGDCIMFRCWHN-QGZVFWFLSA-N -1 1 301.390 3.937 20 0 DHADMM Fc1cccc(F)c1[N-]c1nc2cccc(C(F)(F)F)n2n1 ZINC001173859900 1033892923 /nfs/dbraw/zinc/89/29/23/1033892923.db2.gz HFLAMTGYDDQXGX-UHFFFAOYSA-N -1 1 314.217 3.770 20 0 DHADMM CCN(CC)C(=O)c1ccc(Nc2ccnc(Cl)c2[O-])cc1 ZINC001174063904 1034066773 /nfs/dbraw/zinc/06/67/73/1034066773.db2.gz ZXAOAFSNUIQFDL-UHFFFAOYSA-N -1 1 319.792 3.666 20 0 DHADMM O=C(c1ccc(Nc2cc([O-])c(F)c(F)c2)cc1)N1CCCC1 ZINC001174069545 1034128405 /nfs/dbraw/zinc/12/84/05/1034128405.db2.gz NZYLQRWJDAZLEC-UHFFFAOYSA-N -1 1 318.323 3.650 20 0 DHADMM CCCCNC(=O)c1ccc([N-]c2nnc(C(C)(C)C)o2)cc1 ZINC001174121361 1034188856 /nfs/dbraw/zinc/18/88/56/1034188856.db2.gz DDXTWNZKTOADRV-UHFFFAOYSA-N -1 1 316.405 3.641 20 0 DHADMM CC(C)NC(=O)c1cccc(Nc2c([O-])cc(F)cc2F)c1 ZINC001174187149 1034204687 /nfs/dbraw/zinc/20/46/87/1034204687.db2.gz YVBSKJGWFLTIRJ-UHFFFAOYSA-N -1 1 306.312 3.552 20 0 DHADMM CC[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1c(C)noc1C ZINC000357383382 1034253158 /nfs/dbraw/zinc/25/31/58/1034253158.db2.gz YAWDWMLPKLPOFW-NSHDSACASA-N -1 1 308.765 3.783 20 0 DHADMM O=c1nc([C@H]2CCCO2)[n-]c2scc(-c3ccc(F)cc3)c21 ZINC000178984038 1034276848 /nfs/dbraw/zinc/27/68/48/1034276848.db2.gz YCAWXUQWWLJXRS-GFCCVEGCSA-N -1 1 316.357 3.642 20 0 DHADMM Cn1cc(-c2ccc(Nc3ccnc(Cl)c3[O-])cc2)cn1 ZINC001174378615 1034352922 /nfs/dbraw/zinc/35/29/22/1034352922.db2.gz GNSATCYNMMYOID-UHFFFAOYSA-N -1 1 300.749 3.585 20 0 DHADMM CC(C)=CC[C@@H](NCc1cc2cc(C)c(C)cc2o1)C(=O)[O-] ZINC000864528762 1034378499 /nfs/dbraw/zinc/37/84/99/1034378499.db2.gz TVPKMHAPHGLBGQ-MRXNPFEDSA-N -1 1 301.386 3.949 20 0 DHADMM Cc1nc2ccc(F)cn2c1Nc1cccc(/C=C/C(=O)[O-])c1 ZINC001174495603 1034412911 /nfs/dbraw/zinc/41/29/11/1034412911.db2.gz QSIYVNZUGJFSOV-VMPITWQZSA-N -1 1 311.316 3.623 20 0 DHADMM C[C@@H]1CO[C@@H](C(=O)Nc2cc(Cl)c([O-])c3ccccc23)C1 ZINC000899051578 1034428828 /nfs/dbraw/zinc/42/88/28/1034428828.db2.gz YFZNUPXMEQNVFT-LKFCYVNXSA-N -1 1 305.761 3.562 20 0 DHADMM Cc1ccc([C@H](C)NC(=O)Cc2ccc([O-])c(Cl)c2)s1 ZINC000864982427 1034491255 /nfs/dbraw/zinc/49/12/55/1034491255.db2.gz QSBPOPLHMKZUNF-JTQLQIEISA-N -1 1 309.818 3.835 20 0 DHADMM CCCCc1nc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@@H]32)cs1 ZINC000629373377 1034602318 /nfs/dbraw/zinc/60/23/18/1034602318.db2.gz IKUMWPHTDPCPIR-KKUMJFAQSA-N -1 1 322.474 3.561 20 0 DHADMM Cc1nc(SCc2ccc3c(c2)COC3)[n-]c(=O)c1C1CC1 ZINC000865373299 1034614423 /nfs/dbraw/zinc/61/44/23/1034614423.db2.gz NZSGUXKCGRTWQG-UHFFFAOYSA-N -1 1 314.410 3.691 20 0 DHADMM O=C(Nc1cc(F)cc(OC(F)F)c1)c1ccc(F)c([O-])c1 ZINC001174885932 1034640699 /nfs/dbraw/zinc/64/06/99/1034640699.db2.gz BYISEUMNMCYCLO-UHFFFAOYSA-N -1 1 315.222 3.524 20 0 DHADMM CC[C@@H](C)CO[N-]C(=O)[C@@H](C)c1cccc(Br)c1 ZINC000794844017 1034685779 /nfs/dbraw/zinc/68/57/79/1034685779.db2.gz VJLWMYPMPXHKIL-MNOVXSKESA-N -1 1 314.223 3.647 20 0 DHADMM O=C([O-])c1cc(Nc2ccncc2Oc2ccccc2)ccc1F ZINC001175215973 1034871708 /nfs/dbraw/zinc/87/17/08/1034871708.db2.gz WBUYWPJYLDWZPC-UHFFFAOYSA-N -1 1 324.311 3.877 20 0 DHADMM CC1(C)CN(Cc2ccc(Cl)cc2C(=O)[O-])CCC1(F)F ZINC001142647472 1034915302 /nfs/dbraw/zinc/91/53/02/1034915302.db2.gz XIUURYSIEUIVMB-UHFFFAOYSA-N -1 1 317.763 3.905 20 0 DHADMM CCOc1ccc(-c2cc([N-]c3cnc(OC)s3)on2)cc1 ZINC001175386837 1034965006 /nfs/dbraw/zinc/96/50/06/1034965006.db2.gz GKLQPMSDDCOPBD-UHFFFAOYSA-N -1 1 317.370 3.949 20 0 DHADMM CC(C)(C)c1ccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC000899914868 1034966160 /nfs/dbraw/zinc/96/61/60/1034966160.db2.gz MNRJIASNBFZUHB-UHFFFAOYSA-N -1 1 311.385 3.609 20 0 DHADMM [O-]c1cc(Cl)c(Nc2ccc(-c3nn[nH]n3)cc2)cc1Cl ZINC001175430180 1034980278 /nfs/dbraw/zinc/98/02/78/1034980278.db2.gz JCHXRPMSBKPJHU-UHFFFAOYSA-N -1 1 322.155 3.623 20 0 DHADMM CCOC(=O)c1c([N-]c2cncs2)sc2c1CCCC2=O ZINC001175494770 1035002821 /nfs/dbraw/zinc/00/28/21/1035002821.db2.gz DYINLKSSOPLOSZ-UHFFFAOYSA-N -1 1 322.411 3.644 20 0 DHADMM COc1cc(Nc2c(Cl)ccc([O-])c2Cl)c(F)cn1 ZINC001175692428 1035085946 /nfs/dbraw/zinc/08/59/46/1035085946.db2.gz SIVNWHHBTOENEF-UHFFFAOYSA-N -1 1 303.120 3.985 20 0 DHADMM [O-]c1cc(F)cc(F)c1Nc1ccnc(Br)c1 ZINC001175746735 1035102659 /nfs/dbraw/zinc/10/26/59/1035102659.db2.gz ZJSXYURAPQEHDN-UHFFFAOYSA-N -1 1 301.090 3.572 20 0 DHADMM Cc1ccc([N-]c2nnc(Br)s2)c(F)c1F ZINC001176091727 1035195189 /nfs/dbraw/zinc/19/51/89/1035195189.db2.gz UGIVUOIHVGEBNT-UHFFFAOYSA-N -1 1 306.135 3.631 20 0 DHADMM [O-]c1cc(F)cc(F)c1Nc1cnn(Cc2cccs2)c1 ZINC001176160936 1035221671 /nfs/dbraw/zinc/22/16/71/1035221671.db2.gz HPVPPFOLQBETLP-UHFFFAOYSA-N -1 1 307.325 3.720 20 0 DHADMM Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc([O-])cc2F)cc1C ZINC000773574831 1035257441 /nfs/dbraw/zinc/25/74/41/1035257441.db2.gz HSVKXYPMCJFQMK-GFCCVEGCSA-N -1 1 316.328 3.576 20 0 DHADMM CC(C)[C@H](OC(=O)c1ccc([O-])cc1F)C(=O)c1ccccc1 ZINC000773570216 1035257550 /nfs/dbraw/zinc/25/75/50/1035257550.db2.gz NEQPQUSIYNQZOU-KRWDZBQOSA-N -1 1 316.328 3.596 20 0 DHADMM O=c1oc2cc([O-])ccc2cc1Nc1cc(O)cc(Cl)c1 ZINC001176623713 1035303488 /nfs/dbraw/zinc/30/34/88/1035303488.db2.gz BGVZDGQDJKJTEI-UHFFFAOYSA-N -1 1 303.701 3.601 20 0 DHADMM Cn1cc(-c2ccc(Nc3c(F)cc(F)c([O-])c3F)cc2)cn1 ZINC001176670493 1035309833 /nfs/dbraw/zinc/30/98/33/1035309833.db2.gz WKSGXMJZASZULD-UHFFFAOYSA-N -1 1 319.286 3.954 20 0 DHADMM Cc1cc2nsnc2cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176671020 1035310154 /nfs/dbraw/zinc/31/01/54/1035310154.db2.gz QZYHYZPQPOMOQX-UHFFFAOYSA-N -1 1 311.288 3.866 20 0 DHADMM CC[C@H](C)[C@H](C)N(C(=O)c1ncc2ccccc2c1[O-])C1CC1 ZINC000668314813 1035319236 /nfs/dbraw/zinc/31/92/36/1035319236.db2.gz YWMLDZSQFPEQEZ-STQMWFEESA-N -1 1 312.413 3.980 20 0 DHADMM CCc1ccc([N-]S(=O)(=O)c2ccccc2COC)cc1C ZINC000484111793 1035319919 /nfs/dbraw/zinc/31/99/19/1035319919.db2.gz GHGIMVQYSFVETD-UHFFFAOYSA-N -1 1 319.426 3.505 20 0 DHADMM O=C(NCc1ccc([O-])c(Cl)c1)c1c(F)cccc1Cl ZINC001176988606 1035339402 /nfs/dbraw/zinc/33/94/02/1035339402.db2.gz QEYVEKNMHMHNFF-UHFFFAOYSA-N -1 1 314.143 3.768 20 0 DHADMM CC[C@@H](NCc1ccc(C2CCC2)cc1)c1nc(C(=O)[O-])c[nH]1 ZINC000904064761 1035356862 /nfs/dbraw/zinc/35/68/62/1035356862.db2.gz MDMPOJYECONASO-OAHLLOKOSA-N -1 1 313.401 3.616 20 0 DHADMM Cc1cc(NC(=O)c2ccc3ccccc3c2[O-])nn1C(C)C ZINC000904151362 1035377283 /nfs/dbraw/zinc/37/72/83/1035377283.db2.gz AFSFMTQHBUCTRG-UHFFFAOYSA-N -1 1 309.369 3.884 20 0 DHADMM C[C@@H](N[C@H](c1cccs1)c1ccc2c(c1)CCCC2)C(=O)[O-] ZINC000904204122 1035384995 /nfs/dbraw/zinc/38/49/95/1035384995.db2.gz SWDLAKNJFNWPAC-PXAZEXFGSA-N -1 1 315.438 3.779 20 0 DHADMM CCc1cc(=O)[n-]c(S[C@@H](C)c2cccc(Cl)c2F)n1 ZINC000195074020 1035410456 /nfs/dbraw/zinc/41/04/56/1035410456.db2.gz UARVTIQFTOONMT-QMMMGPOBSA-N -1 1 312.797 3.978 20 0 DHADMM CC(C)c1nc2ccccn2c1NC(=O)c1cccc([O-])c1F ZINC001178753159 1035445647 /nfs/dbraw/zinc/44/56/47/1035445647.db2.gz JTIHXCNONPOOFW-UHFFFAOYSA-N -1 1 313.332 3.555 20 0 DHADMM O=c1ccn(-c2ccc(NCc3cc(F)cc(Cl)c3)cc2)[n-]1 ZINC001179308594 1035473039 /nfs/dbraw/zinc/47/30/39/1035473039.db2.gz SANTYLSCVJGWEF-UHFFFAOYSA-N -1 1 317.751 3.983 20 0 DHADMM O=S(=O)([N-]c1ccccc1F)c1ccc(Cl)cc1Cl ZINC000485397182 1035593755 /nfs/dbraw/zinc/59/37/55/1035593755.db2.gz SDCQONCUGVPJMB-UHFFFAOYSA-N -1 1 320.172 3.933 20 0 DHADMM O=C(N[C@H]1Cc2ccc(Cl)cc2C1)c1ccc(Cl)cc1[O-] ZINC001180252693 1035631807 /nfs/dbraw/zinc/63/18/07/1035631807.db2.gz NYXUPQQQUSRBFG-ZDUSSCGKSA-N -1 1 322.191 3.596 20 0 DHADMM CCC(CC)Oc1ccccc1[N-]S(=O)(=O)CC1CCC1 ZINC001193523794 1035662213 /nfs/dbraw/zinc/66/22/13/1035662213.db2.gz NYXFKZYHSKPXAY-UHFFFAOYSA-N -1 1 311.447 3.796 20 0 DHADMM C[C@H](N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-])C(C)(C)C ZINC000539610363 1035794048 /nfs/dbraw/zinc/79/40/48/1035794048.db2.gz BIOODWGNXCGHHZ-VIFPVBQESA-N -1 1 303.324 3.918 20 0 DHADMM CC[C@H](C)COC(=O)Nc1ccc([O-])c(Br)c1 ZINC001194800065 1036036324 /nfs/dbraw/zinc/03/63/24/1036036324.db2.gz DUJAQEUMBRBNNL-QMMMGPOBSA-N -1 1 302.168 3.749 20 0 DHADMM CCCN(C(=O)c1ncc(C)cc1[O-])[C@H]1CCc2ccccc21 ZINC000494835484 1036078440 /nfs/dbraw/zinc/07/84/40/1036078440.db2.gz RXYMXBQEHAJJMC-INIZCTEOSA-N -1 1 310.397 3.635 20 0 DHADMM [O-]c1ccc(CNc2ccc([C@@H]3CCOC3)cc2)c(F)c1F ZINC001182063703 1036092272 /nfs/dbraw/zinc/09/22/72/1036092272.db2.gz YDBOYRNGTLCILC-CYBMUJFWSA-N -1 1 305.324 3.786 20 0 DHADMM CC[C@@H](C)OC(=O)Nc1cc(OC)cc(Br)c1[O-] ZINC001195114587 1036139341 /nfs/dbraw/zinc/13/93/41/1036139341.db2.gz FYUQZPZIQASLQE-SSDOTTSWSA-N -1 1 318.167 3.510 20 0 DHADMM CCOc1cc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc(Cl)c1[O-] ZINC000193149106 1036211257 /nfs/dbraw/zinc/21/12/57/1036211257.db2.gz SLUYOTMHJKMQEG-PHIMTYICSA-N -1 1 311.809 3.562 20 0 DHADMM CC(C)=CCC/C(C)=C/CNC(=O)c1cc([O-])cnc1Cl ZINC001195311843 1036218531 /nfs/dbraw/zinc/21/85/31/1036218531.db2.gz BLBSOUNTZLHLKP-KPKJPENVSA-N -1 1 308.809 3.863 20 0 DHADMM Cc1cc(C)cc([C@@H](C)NC(=O)c2cc([O-])cnc2Cl)c1 ZINC001195313338 1036220225 /nfs/dbraw/zinc/22/02/25/1036220225.db2.gz YNPTWBOUYKVKPB-LLVKDONJSA-N -1 1 304.777 3.548 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1ccc(Cc2ccccc2)cc1 ZINC001195484328 1036263382 /nfs/dbraw/zinc/26/33/82/1036263382.db2.gz LUHXJBBHVULYKC-UHFFFAOYSA-N -1 1 314.410 3.720 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1ccc(-c2cccs2)cc1 ZINC001195483373 1036264551 /nfs/dbraw/zinc/26/45/51/1036264551.db2.gz CGZDYOIBCVICLV-UHFFFAOYSA-N -1 1 306.412 3.858 20 0 DHADMM [O-]c1c(-c2nc(CC3CCOCC3)no2)ccc2ccccc21 ZINC000761978727 1036424080 /nfs/dbraw/zinc/42/40/80/1036424080.db2.gz DUINVOODCRDLQC-UHFFFAOYSA-N -1 1 310.353 3.565 20 0 DHADMM C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000541887355 1036454655 /nfs/dbraw/zinc/45/46/55/1036454655.db2.gz RASUQAUOELVPRM-VIFPVBQESA-N -1 1 309.724 3.591 20 0 DHADMM CC(C)(CC(=O)Nc1cccc([O-])c1Br)C1CC1 ZINC000908707065 1036486183 /nfs/dbraw/zinc/48/61/83/1036486183.db2.gz GXIVXLQVZRJIMV-UHFFFAOYSA-N -1 1 312.207 3.920 20 0 DHADMM CC1(C)CC[C@H](C(=O)Nc2cccc([O-])c2Br)C1 ZINC000908708749 1036486461 /nfs/dbraw/zinc/48/64/61/1036486461.db2.gz CPWZUYJDKANCRL-VIFPVBQESA-N -1 1 312.207 3.920 20 0 DHADMM CC[C@H]1CCC[C@H]1C(=O)Nc1cccc([O-])c1Br ZINC000908707468 1036486823 /nfs/dbraw/zinc/48/68/23/1036486823.db2.gz IGNLPPNJRLAUQX-VHSXEESVSA-N -1 1 312.207 3.920 20 0 DHADMM C[C@@H]1CC[C@H](CC(=O)Nc2cccc([O-])c2Br)C1 ZINC000908709303 1036489268 /nfs/dbraw/zinc/48/92/68/1036489268.db2.gz NNFPZCACRYTZDI-ZJUUUORDSA-N -1 1 312.207 3.920 20 0 DHADMM CC(C)(CC1CCC1)C(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001183909121 1036706114 /nfs/dbraw/zinc/70/61/14/1036706114.db2.gz BYZGWHAAQPHDGR-UHFFFAOYSA-N -1 1 313.401 3.733 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)[C@H]1CCCc2sccc21 ZINC000909984405 1036728644 /nfs/dbraw/zinc/72/86/44/1036728644.db2.gz NJHNYJPFNLUNNW-VIFPVBQESA-N -1 1 309.337 3.791 20 0 DHADMM CC(C)(C)c1nc(C(=O)Nc2cc([O-])c(F)cc2F)cs1 ZINC000909975943 1036729847 /nfs/dbraw/zinc/72/98/47/1036729847.db2.gz GJDICARPHQGKRZ-UHFFFAOYSA-N -1 1 312.341 3.677 20 0 DHADMM C[C@H](OC1CCCCCC1)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909984142 1036736144 /nfs/dbraw/zinc/73/61/44/1036736144.db2.gz JHJOKGVAIXTBLE-JTQLQIEISA-N -1 1 313.344 3.737 20 0 DHADMM Cc1ncc(C(=O)Nc2cccc(F)c2[O-])c(Cl)c1Cl ZINC001184130753 1036743770 /nfs/dbraw/zinc/74/37/70/1036743770.db2.gz FCJFYLLZUHSLLA-UHFFFAOYSA-N -1 1 315.131 3.794 20 0 DHADMM CCCCOc1ccc(C(=O)Nc2ccc(CC)cn2)c([O-])c1 ZINC001184191425 1036758318 /nfs/dbraw/zinc/75/83/18/1036758318.db2.gz XZPXJAHEKNHGAT-UHFFFAOYSA-N -1 1 314.385 3.781 20 0 DHADMM COCCOCc1cccc(NCc2cccc([O-])c2Cl)c1 ZINC000328495531 1036809978 /nfs/dbraw/zinc/80/99/78/1036809978.db2.gz UMLXOEFXKSESJK-UHFFFAOYSA-N -1 1 321.804 3.821 20 0 DHADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(C(C)(C)C)c(Cl)c1 ZINC000615217545 1036944235 /nfs/dbraw/zinc/94/42/35/1036944235.db2.gz IAJZEYRMMFLLNT-UHFFFAOYSA-N -1 1 307.781 3.627 20 0 DHADMM C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ncc2ccccc2c1[O-] ZINC000668844837 1036977094 /nfs/dbraw/zinc/97/70/94/1036977094.db2.gz KKPWVEXVRFUAQI-XJKCOSOUSA-N -1 1 310.397 3.734 20 0 DHADMM C[C@H](C(=O)[N-]OC1CCCC1)c1ccc(Br)cc1 ZINC000774866346 1037120683 /nfs/dbraw/zinc/12/06/83/1037120683.db2.gz UESPQCZGPLPBPD-JTQLQIEISA-N -1 1 312.207 3.543 20 0 DHADMM CN(C)c1ccc(NC(=S)Nc2cccc([O-])c2Cl)cc1 ZINC001198762810 1037126080 /nfs/dbraw/zinc/12/60/80/1037126080.db2.gz IUVISCPRFAMEKE-UHFFFAOYSA-N -1 1 321.833 3.921 20 0 DHADMM O=S(=O)([N-]c1ccc2ccncc2c1)c1ccc2occc2c1 ZINC001198861819 1037148479 /nfs/dbraw/zinc/14/84/79/1037148479.db2.gz LGNMULXFARNWGC-UHFFFAOYSA-N -1 1 324.361 3.782 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2N(C)C)ccc1Cl ZINC001185521504 1037168097 /nfs/dbraw/zinc/16/80/97/1037168097.db2.gz UKDOGNMGJZZMBK-UHFFFAOYSA-N -1 1 324.833 3.515 20 0 DHADMM O=C(Nc1c([O-])cccc1F)Nc1c(F)cc(F)cc1F ZINC001186055789 1037307769 /nfs/dbraw/zinc/30/77/69/1037307769.db2.gz KQRQOXNEBCDXCW-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM COC(=O)Cc1cccc(Nc2c(F)ccc([O-])c2Cl)c1 ZINC001250232890 1037331688 /nfs/dbraw/zinc/33/16/88/1037331688.db2.gz YAVXSOSAXXHCMU-UHFFFAOYSA-N -1 1 309.724 3.644 20 0 DHADMM CCCc1nc2ccc(NC(=O)c3ccc([O-])cc3F)cc2o1 ZINC001186329961 1037376516 /nfs/dbraw/zinc/37/65/16/1037376516.db2.gz XZVQQDLWBWDJCY-UHFFFAOYSA-N -1 1 314.316 3.877 20 0 DHADMM CC(C)Cc1nsc([N-]C(=O)c2nsc3ccccc32)n1 ZINC000912465136 1037393431 /nfs/dbraw/zinc/39/34/31/1037393431.db2.gz ZDZOZCSOEBFOAB-UHFFFAOYSA-N -1 1 318.427 3.599 20 0 DHADMM CSCCCCCCNC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000867346751 1037405865 /nfs/dbraw/zinc/40/58/65/1037405865.db2.gz KZZPZISHLMNDDI-UHFFFAOYSA-N -1 1 315.866 3.628 20 0 DHADMM O=C(Nc1cc(F)c([O-])c(F)c1)N[C@H]1CCCc2ccccc21 ZINC001186456967 1037420067 /nfs/dbraw/zinc/42/00/67/1037420067.db2.gz AVVDYXNRFMUBRM-HNNXBMFYSA-N -1 1 318.323 3.870 20 0 DHADMM Cc1ccc(-c2n[nH]c(NC(=O)CCCSC(C)(C)C)n2)o1 ZINC000152567368 1037423906 /nfs/dbraw/zinc/42/39/06/1037423906.db2.gz GYKIMFNSRAIWBC-UHFFFAOYSA-N -1 1 322.434 3.624 20 0 DHADMM O=C(Nc1c(F)cc([O-])cc1F)N[C@@H]1CCCc2ccccc21 ZINC001186461980 1037425627 /nfs/dbraw/zinc/42/56/27/1037425627.db2.gz VRMFWLAPQJEMTL-OAHLLOKOSA-N -1 1 318.323 3.870 20 0 DHADMM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000763196951 1037440473 /nfs/dbraw/zinc/44/04/73/1037440473.db2.gz NOYAIEWDLNFTDH-BDAKNGLRSA-N -1 1 308.790 3.553 20 0 DHADMM CC[C@@H](C(=O)Nc1nc(Cl)ccc1[O-])c1ccc(F)cc1 ZINC000763200873 1037462207 /nfs/dbraw/zinc/46/22/07/1037462207.db2.gz ZZOXXXLMNDAKFD-LLVKDONJSA-N -1 1 308.740 3.712 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)C[C@H]2C=CCC2)c1 ZINC000182911665 1037680143 /nfs/dbraw/zinc/68/01/43/1037680143.db2.gz IGUVNTXUNDQHIY-JTQLQIEISA-N -1 1 310.191 3.758 20 0 DHADMM CC(=O)Nc1cc(NCc2cccc([O-])c2Cl)ccc1F ZINC000328429459 1037816693 /nfs/dbraw/zinc/81/66/93/1037816693.db2.gz ATRUPFQXXRWXEI-UHFFFAOYSA-N -1 1 308.740 3.755 20 0 DHADMM Cc1cc(C)nc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])c1 ZINC001188144950 1037829693 /nfs/dbraw/zinc/82/96/93/1037829693.db2.gz WYVWSHDPQYLMIN-UHFFFAOYSA-N -1 1 310.275 3.675 20 0 DHADMM O=C(Nc1cnc2occc2c1)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188571787 1037921103 /nfs/dbraw/zinc/92/11/03/1037921103.db2.gz DMZBCHMCSPGRCR-UHFFFAOYSA-N -1 1 322.242 3.805 20 0 DHADMM CCc1ncsc1NC(=O)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188572943 1037935257 /nfs/dbraw/zinc/93/52/57/1037935257.db2.gz XJESUWATBKUZAO-UHFFFAOYSA-N -1 1 316.304 3.682 20 0 DHADMM Cc1ccccc1NC(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001202177573 1038084602 /nfs/dbraw/zinc/08/46/02/1038084602.db2.gz SHTJAQDSSWWQIW-UHFFFAOYSA-N -1 1 308.341 3.530 20 0 DHADMM Cc1cnc(SCCn2ccc3cc(Cl)ccc32)[n-]c1=O ZINC001189399450 1038147806 /nfs/dbraw/zinc/14/78/06/1038147806.db2.gz QBFOIFPADJTHFA-UHFFFAOYSA-N -1 1 319.817 3.891 20 0 DHADMM CCOc1cc(C(=O)Nc2ccccc2OC)cc(Cl)c1[O-] ZINC000192982124 1038203552 /nfs/dbraw/zinc/20/35/52/1038203552.db2.gz OXYIAGIRDNYSNF-UHFFFAOYSA-N -1 1 321.760 3.705 20 0 DHADMM O=c1cc(-c2ccccc2)nc(SCCc2ccncc2)[n-]1 ZINC001190201512 1038279838 /nfs/dbraw/zinc/27/98/38/1038279838.db2.gz SGPCULTXDUFIEZ-UHFFFAOYSA-N -1 1 309.394 3.579 20 0 DHADMM Cc1nc2ccccn2c1NC(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192313633 1038625158 /nfs/dbraw/zinc/62/51/58/1038625158.db2.gz FUYDJPNICMVOTJ-UHFFFAOYSA-N -1 1 323.396 3.898 20 0 DHADMM CC(C)(C)c1ccc(C(=O)Nc2cccn3nccc23)c([O-])c1 ZINC001192315179 1038625676 /nfs/dbraw/zinc/62/56/76/1038625676.db2.gz YSWSJAPDWZKRHA-UHFFFAOYSA-N -1 1 309.369 3.590 20 0 DHADMM Cc1ccc(CO)cc1NC(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192313624 1038626855 /nfs/dbraw/zinc/62/68/55/1038626855.db2.gz FMYKWMOLKAKPJA-UHFFFAOYSA-N -1 1 313.397 3.743 20 0 DHADMM Cc1cc([N-]S(=O)(=O)c2cnc(Cl)cc2C)cc(C)c1C ZINC001192357568 1038638215 /nfs/dbraw/zinc/63/82/15/1038638215.db2.gz BLJJRXZXKBBTNX-UHFFFAOYSA-N -1 1 324.833 3.769 20 0 DHADMM CC(C)[C@@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccc(F)cc1 ZINC001192551350 1038672844 /nfs/dbraw/zinc/67/28/44/1038672844.db2.gz FLMFIFBYGWCPQB-MRXNPFEDSA-N -1 1 323.314 3.937 20 0 DHADMM Cc1ccc(CN(C)C(=O)c2cc([O-])cc(F)c2F)cc1C ZINC001192664833 1038693562 /nfs/dbraw/zinc/69/35/62/1038693562.db2.gz GWXRKLCCHZIRAY-UHFFFAOYSA-N -1 1 305.324 3.559 20 0 DHADMM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)cc2F)c1 ZINC001192756452 1038700488 /nfs/dbraw/zinc/70/04/88/1038700488.db2.gz RNNZXGPKDIQIKL-UHFFFAOYSA-N -1 1 323.389 3.506 20 0 DHADMM CC(C)c1cc(C(=O)Nc2c([O-])cccc2F)nn1C(C)(C)C ZINC000605439308 1039681100 /nfs/dbraw/zinc/68/11/00/1039681100.db2.gz VVWFUPOWPWGLQS-UHFFFAOYSA-N -1 1 319.380 3.859 20 0 DHADMM COc1ccc(S[C@H](C)C(=O)Nc2c([O-])cccc2F)cc1 ZINC000605435041 1039681984 /nfs/dbraw/zinc/68/19/84/1039681984.db2.gz FKRXZSMREAIWKC-SNVBAGLBSA-N -1 1 321.373 3.659 20 0 DHADMM O=C(Nc1c([O-])cccc1F)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000605436850 1039682760 /nfs/dbraw/zinc/68/27/60/1039682760.db2.gz MSKFITAMJPRGBA-BDAKNGLRSA-N -1 1 305.271 3.839 20 0 DHADMM O=C(Nc1c([O-])cccc1F)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000605440468 1039683675 /nfs/dbraw/zinc/68/36/75/1039683675.db2.gz SIKLSXGCCQZZME-WDEREUQCSA-N -1 1 305.736 3.927 20 0 DHADMM Cc1cc(O[C@@H](C)C(=O)Nc2c([O-])cccc2F)ccc1Cl ZINC000608365234 1040470562 /nfs/dbraw/zinc/47/05/62/1040470562.db2.gz BLTYXKIZQQVXOW-JTQLQIEISA-N -1 1 323.751 3.899 20 0 DHADMM Cc1ccc(C)c(SCC(=O)Nc2c([O-])cccc2F)c1 ZINC000608365833 1040473509 /nfs/dbraw/zinc/47/35/09/1040473509.db2.gz SCIZWPWTROFXEO-UHFFFAOYSA-N -1 1 305.374 3.879 20 0 DHADMM Cc1nc(C(C)(C)C)sc1C(=O)Nc1c([O-])cccc1F ZINC000608366945 1040475228 /nfs/dbraw/zinc/47/52/28/1040475228.db2.gz CGYODXMRHVOZPG-UHFFFAOYSA-N -1 1 308.378 3.846 20 0 DHADMM CCn1cc(CC(=O)Nc2c([O-])cccc2F)c2ccccc21 ZINC000608366416 1040475269 /nfs/dbraw/zinc/47/52/69/1040475269.db2.gz JTHULSZKJBKEDI-UHFFFAOYSA-N -1 1 312.344 3.687 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1cc2cc(Cl)ccc2[nH]1 ZINC000608367453 1040475398 /nfs/dbraw/zinc/47/53/98/1040475398.db2.gz QYNUBXRNQWEKDC-UHFFFAOYSA-N -1 1 304.708 3.918 20 0 DHADMM CC(C)CCc1ccc(NC(=O)c2ccc([O-])cc2F)nc1 ZINC000456778133 1040914127 /nfs/dbraw/zinc/91/41/27/1040914127.db2.gz GQWYFQCGEXLTHI-UHFFFAOYSA-N -1 1 302.349 3.767 20 0 DHADMM CC(C)CN(C(=O)c1cncc([O-])c1)c1cccc(Cl)c1 ZINC000456779108 1040917173 /nfs/dbraw/zinc/91/71/73/1040917173.db2.gz HTQMXMHOHOWIKL-UHFFFAOYSA-N -1 1 304.777 3.743 20 0 DHADMM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000007428512 181465718 /nfs/dbraw/zinc/46/57/18/181465718.db2.gz JTYWXNKKVMTBPK-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCCC[C@@H]1c1ncc[nH]1 ZINC000094071807 193343138 /nfs/dbraw/zinc/34/31/38/193343138.db2.gz QAUUUSJWRZAIJM-MRXNPFEDSA-N -1 1 321.380 3.636 20 0 DHADMM O=C(CSc1ccc2c(c1)CCC2)c1ccc([O-])cc1O ZINC000018337906 182101555 /nfs/dbraw/zinc/10/15/55/182101555.db2.gz WZXBBAQZBLXBGW-UHFFFAOYSA-N -1 1 300.379 3.562 20 0 DHADMM Cc1cc(Br)ccc1NC(=O)c1ccccc1[O-] ZINC000019426363 182122478 /nfs/dbraw/zinc/12/24/78/182122478.db2.gz LQVJXEOICQAXCY-UHFFFAOYSA-N -1 1 306.159 3.715 20 0 DHADMM Cc1ccc(-c2ccc(CN[C@@H](C(=O)[O-])[C@H](C)C3CC3)o2)cc1 ZINC000417642431 335026165 /nfs/dbraw/zinc/02/61/65/335026165.db2.gz VMGQHAFXDJOPHQ-FZKQIMNGSA-N -1 1 313.397 3.844 20 0 DHADMM Cc1cc(CNCc2ccccc2OC(C)C)ccc1C(=O)[O-] ZINC000417665406 335033391 /nfs/dbraw/zinc/03/33/91/335033391.db2.gz CNWSTCMRAAEFSE-UHFFFAOYSA-N -1 1 313.397 3.770 20 0 DHADMM CN(Cc1nc2c3ccccc3oc2c(=O)[nH]1)CC1CCCC1 ZINC000064021180 335061817 /nfs/dbraw/zinc/06/18/17/335061817.db2.gz RLIFBVXWKOWJID-UHFFFAOYSA-N -1 1 311.385 3.704 20 0 DHADMM C[C@H]1C(=O)CC[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)C1(C)C ZINC000288941532 131346893 /nfs/dbraw/zinc/34/68/93/131346893.db2.gz BBQRWXATVIKASP-ONGXEEELSA-N -1 1 318.348 3.690 20 0 DHADMM Cn1cc(NC(=O)c2ccc([O-])cc2F)c(C2CCCCC2)n1 ZINC000295772028 131919830 /nfs/dbraw/zinc/91/98/30/131919830.db2.gz JWYDCGPHGJDHTE-UHFFFAOYSA-N -1 1 317.364 3.565 20 0 DHADMM CC(C)Cc1nnc([N-]C(=O)c2ccc(C(F)F)o2)s1 ZINC000624513832 429935584 /nfs/dbraw/zinc/93/55/84/429935584.db2.gz PTELSTRYAZFKSU-UHFFFAOYSA-N -1 1 301.318 3.520 20 0 DHADMM Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1F ZINC000313241792 331919594 /nfs/dbraw/zinc/91/95/94/331919594.db2.gz XGKPNCDTDCFSGX-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM CC(=O)[C@H](Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1)C(C)C ZINC000569483499 332101468 /nfs/dbraw/zinc/10/14/68/332101468.db2.gz OXAPGPUPXGRBTN-OAHLLOKOSA-N -1 1 316.426 3.863 20 0 DHADMM Cc1ccc(C)c(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)c1 ZINC000426809015 332152020 /nfs/dbraw/zinc/15/20/20/332152020.db2.gz ORRDJZGYMAPWRS-KRWDZBQOSA-N -1 1 319.351 3.887 20 0 DHADMM CCSc1cccc(CN[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000426786009 332153357 /nfs/dbraw/zinc/15/33/57/332153357.db2.gz RYUGUEWZDMELNA-INIZCTEOSA-N -1 1 319.401 3.853 20 0 DHADMM O=C([O-])[C@@H](NCc1ccc(F)c(Cl)c1)c1ccccc1F ZINC000426807489 332155696 /nfs/dbraw/zinc/15/56/96/332155696.db2.gz NSZBBMNFHHAZFS-AWEZNQCLSA-N -1 1 311.715 3.534 20 0 DHADMM Cc1cc(CN[C@@H](C(=O)[O-])c2ccccc2F)ccc1Cl ZINC000426807297 332155723 /nfs/dbraw/zinc/15/57/23/332155723.db2.gz MTDCVIJPHVJQBE-OAHLLOKOSA-N -1 1 307.752 3.703 20 0 DHADMM Cc1cnc(C(=O)N(C)[C@@H](c2ccccc2C)C(C)C)c([O-])c1 ZINC000426834452 332156438 /nfs/dbraw/zinc/15/64/38/332156438.db2.gz OJQSSTWKXHYKIU-GOSISDBHSA-N -1 1 312.413 3.873 20 0 DHADMM Cc1ccccc1CN[C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000426824883 332158068 /nfs/dbraw/zinc/15/80/68/332158068.db2.gz JTUHLKKJIJQKJZ-INIZCTEOSA-N -1 1 305.324 3.579 20 0 DHADMM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)c1ncccc1[O-] ZINC000426856433 332158688 /nfs/dbraw/zinc/15/86/88/332158688.db2.gz KTESJLZOMRDYJQ-MRXNPFEDSA-N -1 1 318.804 3.910 20 0 DHADMM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)c1ncccc1[O-] ZINC000426856432 332158751 /nfs/dbraw/zinc/15/87/51/332158751.db2.gz KTESJLZOMRDYJQ-INIZCTEOSA-N -1 1 318.804 3.910 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)c(F)c1 ZINC000560013515 332302075 /nfs/dbraw/zinc/30/20/75/332302075.db2.gz QHUKAIFKFMWYPL-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM C[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C[C@@H]1C(=O)[O-] ZINC000577750376 332306929 /nfs/dbraw/zinc/30/69/29/332306929.db2.gz ASOIZPYRZNYDFT-ONGXEEELSA-N -1 1 302.201 3.536 20 0 DHADMM CCOc1ccc(CN(C)[C@H](C)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000580201793 333002550 /nfs/dbraw/zinc/00/25/50/333002550.db2.gz FGBFZQHSMSSNHO-CYBMUJFWSA-N -1 1 317.385 3.878 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc(C)c1F ZINC000460429409 333085262 /nfs/dbraw/zinc/08/52/62/333085262.db2.gz MPAKATHXMMGWPC-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM COc1ccc(C(=O)Nc2ccccc2CSC)c([O-])c1 ZINC000186089439 333372000 /nfs/dbraw/zinc/37/20/00/333372000.db2.gz SEPOERCZSMNULV-UHFFFAOYSA-N -1 1 303.383 3.516 20 0 DHADMM Cc1ccsc1S(=O)(=O)[N-]c1cccc(C)c1Cl ZINC000525822065 333421783 /nfs/dbraw/zinc/42/17/83/333421783.db2.gz YLFHMPUAWWXCEJ-UHFFFAOYSA-N -1 1 301.820 3.819 20 0 DHADMM CCOc1cc(C(=O)N[C@H]2CCC[C@@H](C)C2)cc(Cl)c1[O-] ZINC000186569068 335158490 /nfs/dbraw/zinc/15/84/90/335158490.db2.gz GGXXKOOGVZKCGA-PWSUYJOCSA-N -1 1 311.809 3.753 20 0 DHADMM CCc1cc(=O)[n-]c(SCCCOc2cc(C)ccc2C)n1 ZINC000436211327 333880597 /nfs/dbraw/zinc/88/05/97/333880597.db2.gz QFJKTJLEHBWHDP-UHFFFAOYSA-N -1 1 318.442 3.923 20 0 DHADMM O=C(NCCCNc1ccccc1)c1cc2ccccc2cc1[O-] ZINC000110741629 334293014 /nfs/dbraw/zinc/29/30/14/334293014.db2.gz PUSNVDVIGHGFCX-UHFFFAOYSA-N -1 1 320.392 3.777 20 0 DHADMM Cc1ccc(O[C@@H](C)C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000111665906 334352689 /nfs/dbraw/zinc/35/26/89/334352689.db2.gz ATOMJLQPGOYQLU-NSHDSACASA-N -1 1 305.761 3.760 20 0 DHADMM COc1cc(C(=O)N2CC[C@@H](C)C3(CCC3)C2)cc(Cl)c1[O-] ZINC000443113150 338444993 /nfs/dbraw/zinc/44/49/93/338444993.db2.gz SOGAUTZMBPBDPL-LLVKDONJSA-N -1 1 323.820 3.707 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1cc2ccc(Cl)cc2[nH]1 ZINC000532012513 334371569 /nfs/dbraw/zinc/37/15/69/334371569.db2.gz NAQAQMNQKNAKPZ-UHFFFAOYSA-N -1 1 304.708 3.918 20 0 DHADMM Cc1ccc(SCC(=O)Nc2ccc(F)cc2[O-])c(C)c1 ZINC000532012601 334371599 /nfs/dbraw/zinc/37/15/99/334371599.db2.gz VSLRHHINYABQNQ-UHFFFAOYSA-N -1 1 305.374 3.879 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1C ZINC000112850706 334728396 /nfs/dbraw/zinc/72/83/96/334728396.db2.gz BGDZGQFTTLEWEW-UHFFFAOYSA-N -1 1 300.383 3.586 20 0 DHADMM CC(F)(F)c1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000188560314 334863402 /nfs/dbraw/zinc/86/34/02/334863402.db2.gz IFULPUIWOULVHM-UHFFFAOYSA-N -1 1 315.316 3.738 20 0 DHADMM Cc1oc2ccccc2c1CNC(=O)c1c(F)ccc([O-])c1F ZINC000343849683 335197021 /nfs/dbraw/zinc/19/70/21/335197021.db2.gz JGGJVODYXWYYAP-UHFFFAOYSA-N -1 1 317.291 3.655 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c(C)s1 ZINC000032531885 335294150 /nfs/dbraw/zinc/29/41/50/335294150.db2.gz ISTVREMTDNQJSP-UHFFFAOYSA-N -1 1 301.820 3.819 20 0 DHADMM O=C(Nc1ccccc1Nc1ccccc1)c1cncc([O-])c1 ZINC000346838356 335445155 /nfs/dbraw/zinc/44/51/55/335445155.db2.gz XAKSIRIFLWINJI-UHFFFAOYSA-N -1 1 305.337 3.783 20 0 DHADMM CCOC(=O)c1cnc(C(C)=Cc2ccc(C)c(C)c2)[n-]c1=O ZINC000347482779 335503454 /nfs/dbraw/zinc/50/34/54/335503454.db2.gz LMPLGPVOGOQMQV-LCYFTJDESA-N -1 1 312.369 3.536 20 0 DHADMM CCc1ccc(CN(C)C(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000347685658 335516362 /nfs/dbraw/zinc/51/63/62/335516362.db2.gz QJKVAOVFBWNRIX-UHFFFAOYSA-N -1 1 305.324 3.505 20 0 DHADMM CCOc1ccc(Cc2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445469253 338495654 /nfs/dbraw/zinc/49/56/54/338495654.db2.gz BDHYKHZZIABZRJ-UHFFFAOYSA-N -1 1 314.316 3.571 20 0 DHADMM Cc1ccc(F)c(OCc2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445481081 338496463 /nfs/dbraw/zinc/49/64/63/338496463.db2.gz OAPVZHAHSVOFMT-UHFFFAOYSA-N -1 1 318.279 3.608 20 0 DHADMM CC(C)c1nn(C)cc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000324017743 335764414 /nfs/dbraw/zinc/76/44/14/335764414.db2.gz MVWVHFGUHHSBQX-UHFFFAOYSA-N -1 1 309.369 3.655 20 0 DHADMM Cc1c(Br)cccc1C(=O)Nc1ccc(F)cc1[O-] ZINC000532266687 335927461 /nfs/dbraw/zinc/92/74/61/335927461.db2.gz RQDXQMKGUXUQSL-UHFFFAOYSA-N -1 1 324.149 3.855 20 0 DHADMM O=c1cc(C(F)(F)F)nc(SCCCc2ccccc2)[n-]1 ZINC000520294482 335959283 /nfs/dbraw/zinc/95/92/83/335959283.db2.gz ZHQOCCVLAQHNQC-UHFFFAOYSA-N -1 1 314.332 3.926 20 0 DHADMM COCCN(Cc1ccc(C)o1)Cc1cccc([O-])c1Cl ZINC000351672718 336057050 /nfs/dbraw/zinc/05/70/50/336057050.db2.gz NPTXTNOHXFYQGC-UHFFFAOYSA-N -1 1 309.793 3.596 20 0 DHADMM Cc1cnc(C(=O)N2CC[C@](C)(CCc3ccccc3)C2)c([O-])c1 ZINC000330214586 336125050 /nfs/dbraw/zinc/12/50/50/336125050.db2.gz GHDFTDKRIIAHGN-FQEVSTJZSA-N -1 1 324.424 3.581 20 0 DHADMM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2ncc(C)cc2[O-])cc1 ZINC000331832008 336150011 /nfs/dbraw/zinc/15/00/11/336150011.db2.gz DZAWVUHABVLTGA-IRXDYDNUSA-N -1 1 324.424 3.812 20 0 DHADMM CCCCSCCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000352423320 336217823 /nfs/dbraw/zinc/21/78/23/336217823.db2.gz NGJYYSDSFCJSBT-UHFFFAOYSA-N -1 1 319.430 3.644 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)nc1 ZINC000352486332 336221440 /nfs/dbraw/zinc/22/14/40/336221440.db2.gz PJYBPQIGDBSOOE-UHFFFAOYSA-N -1 1 322.368 3.553 20 0 DHADMM [O-]c1ccc(F)cc1-c1nc(-c2ccc3c(n2)CCCC3)no1 ZINC000324476378 336221963 /nfs/dbraw/zinc/22/19/63/336221963.db2.gz BETZWPHBCNBZLJ-UHFFFAOYSA-N -1 1 311.316 3.522 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(Oc2ccccc2)nc1 ZINC000532622196 336257285 /nfs/dbraw/zinc/25/72/85/336257285.db2.gz JXZOSWKBDPGIHZ-UHFFFAOYSA-N -1 1 324.311 3.971 20 0 DHADMM COc1cc(C(=O)NCCC(C)(C)C2CC2)cc(Cl)c1[O-] ZINC000580354213 336259871 /nfs/dbraw/zinc/25/98/71/336259871.db2.gz RJCCXEFYQAQEJC-UHFFFAOYSA-N -1 1 311.809 3.610 20 0 DHADMM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)ccc1F ZINC000580354452 336259878 /nfs/dbraw/zinc/25/98/78/336259878.db2.gz DUHDFRUVRBKRCF-UHFFFAOYSA-N -1 1 315.316 3.873 20 0 DHADMM Cc1nc(-c2ccc(N[C@@H]3CCC[C@@H](C)C3)nc2)[n-]c(=O)c1C ZINC000301382800 336303713 /nfs/dbraw/zinc/30/37/13/336303713.db2.gz VKGKVOAAFASSGP-IAQYHMDHSA-N -1 1 312.417 3.852 20 0 DHADMM Cc1nc(-c2ccc(N(C)C[C@H]3CC=CCC3)nc2)[n-]c(=O)c1C ZINC000302139873 336350361 /nfs/dbraw/zinc/35/03/61/336350361.db2.gz IZIRRERCGLKQJB-HNNXBMFYSA-N -1 1 324.428 3.654 20 0 DHADMM CC(C)Cc1nsc([N-]c2cnn(Cc3ccccc3)c2)n1 ZINC000302240402 336355925 /nfs/dbraw/zinc/35/59/25/336355925.db2.gz NFZYKBLRRLBDNX-UHFFFAOYSA-N -1 1 313.430 3.725 20 0 DHADMM C[C@H]1C[C@H](C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)C[C@@H](C)C1 ZINC000356332961 336546513 /nfs/dbraw/zinc/54/65/13/336546513.db2.gz FRNHJGBXKDTNJI-IMRBUKKESA-N -1 1 313.401 3.793 20 0 DHADMM O=C(NCc1ccc(C2CC2)cc1F)c1c(F)ccc([O-])c1F ZINC000358900919 336646722 /nfs/dbraw/zinc/64/67/22/336646722.db2.gz WQMUAXNZCFQLQA-UHFFFAOYSA-N -1 1 321.298 3.617 20 0 DHADMM O=C([N-]c1c(F)cc(F)cc1F)c1ccoc1C(F)(F)F ZINC000361856574 336775551 /nfs/dbraw/zinc/77/55/51/336775551.db2.gz QUJSFEWLGOCVNR-UHFFFAOYSA-N -1 1 309.165 3.968 20 0 DHADMM COC(=O)c1c[n-]c(S[C@@H](C)c2cccc(Cl)c2F)n1 ZINC000193553375 337078415 /nfs/dbraw/zinc/07/84/15/337078415.db2.gz OWJFMMQWJCCKFW-ZETCQYMHSA-N -1 1 314.769 3.842 20 0 DHADMM Cc1noc(C2CC2)c1[N-]C(=O)c1cnc(-c2ccco2)s1 ZINC000183934829 337195628 /nfs/dbraw/zinc/19/56/28/337195628.db2.gz PCNRDFWJEXPELC-UHFFFAOYSA-N -1 1 315.354 3.829 20 0 DHADMM O=C([O-])[C@@H](NCc1ccc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000583132634 337242699 /nfs/dbraw/zinc/24/26/99/337242699.db2.gz CFOPRINHYCTAEX-HNNXBMFYSA-N -1 1 305.761 3.553 20 0 DHADMM COC(=O)c1c[n-]c(SCc2cccc(C(F)(F)F)c2)n1 ZINC000187594581 337267192 /nfs/dbraw/zinc/26/71/92/337267192.db2.gz ZPSDOXMTTSIDFB-UHFFFAOYSA-N -1 1 316.304 3.507 20 0 DHADMM Cc1cc(C)cc(OCc2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000584569054 337364980 /nfs/dbraw/zinc/36/49/80/337364980.db2.gz KSALHWWVRNRDSF-UHFFFAOYSA-N -1 1 314.316 3.777 20 0 DHADMM CCOc1cc(C(=O)N2C[C@H]3CCCCC[C@@H]32)cc(Cl)c1[O-] ZINC000359874708 337440275 /nfs/dbraw/zinc/44/02/75/337440275.db2.gz RCPBKYBIZMUWKJ-RISCZKNCSA-N -1 1 323.820 3.849 20 0 DHADMM CC[C@H](C)c1cc(C(=O)[N-]c2ncnc3oc(C)c(C)c32)on1 ZINC000132647221 337442895 /nfs/dbraw/zinc/44/28/95/337442895.db2.gz NACJMVJOXKSHGY-QMMMGPOBSA-N -1 1 314.345 3.593 20 0 DHADMM O=C(CCC(=O)c1cccs1)Nc1ccc([O-])c(Cl)c1 ZINC000067738964 337543914 /nfs/dbraw/zinc/54/39/14/337543914.db2.gz CJCBKKHQLNRTRM-UHFFFAOYSA-N -1 1 309.774 3.709 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)c(F)c1 ZINC000084649918 338003748 /nfs/dbraw/zinc/00/37/48/338003748.db2.gz JDOFXPUKLOJDFJ-UHFFFAOYSA-N -1 1 315.316 3.522 20 0 DHADMM CCc1nc(SCC(=O)c2ccc(Cl)cc2)[n-]c(=O)c1C ZINC000516315823 338009560 /nfs/dbraw/zinc/00/95/60/338009560.db2.gz TYAYFCGAIPGZFJ-UHFFFAOYSA-N -1 1 322.817 3.681 20 0 DHADMM CN(CCC1CC1)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000516481734 338013383 /nfs/dbraw/zinc/01/33/83/338013383.db2.gz NAQXLRCLFOFGAJ-UHFFFAOYSA-N -1 1 316.426 3.740 20 0 DHADMM COc1ccccc1/C=C/c1nc(-c2ccc([O-])cc2F)no1 ZINC000445453715 338017107 /nfs/dbraw/zinc/01/71/07/338017107.db2.gz JGZMAPRILKZRDK-RMKNXTFCSA-N -1 1 312.300 3.760 20 0 DHADMM [O-]c1ccc(-c2noc(COc3ccc(Cl)cc3)n2)c(F)c1 ZINC000445460379 338019841 /nfs/dbraw/zinc/01/98/41/338019841.db2.gz AANOENOCCPTVGL-UHFFFAOYSA-N -1 1 320.707 3.814 20 0 DHADMM [O-]c1ccc(-c2noc(Cn3ccc4ccccc43)n2)c(F)c1 ZINC000445460872 338020900 /nfs/dbraw/zinc/02/09/00/338020900.db2.gz DFEGGIIGHAMWKL-UHFFFAOYSA-N -1 1 309.300 3.584 20 0 DHADMM O=c1[nH]c2ccccc2cc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000445461389 338022247 /nfs/dbraw/zinc/02/22/47/338022247.db2.gz GSRYQULNRFSQDJ-UHFFFAOYSA-N -1 1 323.283 3.502 20 0 DHADMM COc1cc(C(=O)NCC2(C)CCCCC2)cc(Cl)c1[O-] ZINC000426267762 338024189 /nfs/dbraw/zinc/02/41/89/338024189.db2.gz PWBQAMOXUTXZHV-UHFFFAOYSA-N -1 1 311.809 3.754 20 0 DHADMM Cc1cc2ccccc2n1Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000445462239 338024472 /nfs/dbraw/zinc/02/44/72/338024472.db2.gz KCGQBMHHQWHWON-UHFFFAOYSA-N -1 1 323.327 3.893 20 0 DHADMM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1ncccc1[O-] ZINC000426414831 338031248 /nfs/dbraw/zinc/03/12/48/338031248.db2.gz BKNLVAZVBBCTEF-SNVBAGLBSA-N -1 1 324.302 3.639 20 0 DHADMM Cc1cnc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)c([O-])c1 ZINC000426418778 338031445 /nfs/dbraw/zinc/03/14/45/338031445.db2.gz YEDZJBLJWVDTTA-UHFFFAOYSA-N -1 1 316.788 3.554 20 0 DHADMM Cc1cnc(C(=O)N[C@H](CC(F)(F)F)c2ccccc2)c([O-])c1 ZINC000426631883 338036716 /nfs/dbraw/zinc/03/67/16/338036716.db2.gz ZYJJTQGCPLXUSR-GFCCVEGCSA-N -1 1 324.302 3.519 20 0 DHADMM O=C([O-])Cc1ccccc1CNCc1cccc(Cl)c1Cl ZINC000426678929 338037982 /nfs/dbraw/zinc/03/79/82/338037982.db2.gz SHVTVOVWLWLHGP-UHFFFAOYSA-N -1 1 324.207 3.910 20 0 DHADMM O=C([O-])Cc1ccccc1CNCc1cc(Cl)ccc1Cl ZINC000426692299 338038195 /nfs/dbraw/zinc/03/81/95/338038195.db2.gz QOKRADVTFYJMRM-UHFFFAOYSA-N -1 1 324.207 3.910 20 0 DHADMM O=C([O-])c1cccc(CNCc2ccc(-c3ccccc3)o2)c1 ZINC000426701244 338038475 /nfs/dbraw/zinc/03/84/75/338038475.db2.gz ZGBHFHVSAOMGQV-UHFFFAOYSA-N -1 1 307.349 3.935 20 0 DHADMM CCc1ccc(-c2ccc(CN[C@@H](C(=O)[O-])C(C)C)o2)cc1 ZINC000426707778 338038802 /nfs/dbraw/zinc/03/88/02/338038802.db2.gz CTAYQVYVGYACFB-QGZVFWFLSA-N -1 1 301.386 3.708 20 0 DHADMM Cc1cc(C)cc([C@H](NCc2ccccc2Cl)C(=O)[O-])c1 ZINC000426757693 338041041 /nfs/dbraw/zinc/04/10/41/338041041.db2.gz PZUYEAATXDAQAK-INIZCTEOSA-N -1 1 303.789 3.872 20 0 DHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2ccc(Cl)c(F)c2)o1 ZINC000426765123 338041324 /nfs/dbraw/zinc/04/13/24/338041324.db2.gz KFWQPMXCDOSGOK-ZDUSSCGKSA-N -1 1 311.740 3.686 20 0 DHADMM CCOc1cc(C(=O)N(C)[C@H]2CC[C@H](C)C2)cc(Cl)c1[O-] ZINC000430471699 338107589 /nfs/dbraw/zinc/10/75/89/338107589.db2.gz UZFSKVKHJSEWCV-JQWIXIFHSA-N -1 1 311.809 3.705 20 0 DHADMM COC(=O)c1c[n-]c(SCc2ccc(SC(C)C)cc2)n1 ZINC000432673284 338162098 /nfs/dbraw/zinc/16/20/98/338162098.db2.gz WLVDICQXXAGQSX-UHFFFAOYSA-N -1 1 322.455 3.989 20 0 DHADMM CCOC(=O)c1cnc(C(C)=Cc2cc(Cl)cs2)[n-]c1=O ZINC000432701804 338163514 /nfs/dbraw/zinc/16/35/14/338163514.db2.gz BTVGSHBVJRHCLG-YWEYNIOJSA-N -1 1 324.789 3.634 20 0 DHADMM CCc1occc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000435794901 338249627 /nfs/dbraw/zinc/24/96/27/338249627.db2.gz ASYVSUHERSODRV-UHFFFAOYSA-N -1 1 324.174 3.871 20 0 DHADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000436053670 338256775 /nfs/dbraw/zinc/25/67/75/338256775.db2.gz FUXXQVNPYFKHLQ-UHFFFAOYSA-N -1 1 307.440 3.826 20 0 DHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc2[nH]ccc2cc1C ZINC000436163884 338260169 /nfs/dbraw/zinc/26/01/69/338260169.db2.gz SERRSQXYKXHNAU-UHFFFAOYSA-N -1 1 318.373 3.725 20 0 DHADMM CCc1cc(=O)[n-]c(S[C@H](C(=O)c2ccccc2)C(C)C)n1 ZINC000436214123 338262144 /nfs/dbraw/zinc/26/21/44/338262144.db2.gz ZIINGSJBAIHJPY-INIZCTEOSA-N -1 1 316.426 3.744 20 0 DHADMM CCc1cc(=O)[n-]c(SCC[C@H](C)OCc2ccccc2)n1 ZINC000436238250 338262859 /nfs/dbraw/zinc/26/28/59/338262859.db2.gz FSNIYCLKILOMNZ-ZDUSSCGKSA-N -1 1 318.442 3.832 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@@H](c2ccccc2F)C1 ZINC000436487282 338273784 /nfs/dbraw/zinc/27/37/84/338273784.db2.gz KOYQVPNISLXSRR-LLVKDONJSA-N -1 1 319.763 3.814 20 0 DHADMM COc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1Cl ZINC000436519741 338274846 /nfs/dbraw/zinc/27/48/46/338274846.db2.gz ASJWQRYZBQQXQK-UHFFFAOYSA-N -1 1 320.707 3.910 20 0 DHADMM C[C@H]1C[C@]1(NC(=O)c1ccc([O-])cc1F)c1ccc(Cl)cc1 ZINC000436516884 338274908 /nfs/dbraw/zinc/27/49/08/338274908.db2.gz XNOSYOACIHSXDG-DYZYQPBXSA-N -1 1 319.763 3.850 20 0 DHADMM O=C(NCCc1cc2ccccc2s1)c1ccc([O-])cc1F ZINC000436531722 338275495 /nfs/dbraw/zinc/27/54/95/338275495.db2.gz WJPRGQAKWWYEEH-UHFFFAOYSA-N -1 1 315.369 3.719 20 0 DHADMM CCCN(CC(C)C)C(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000436532104 338275546 /nfs/dbraw/zinc/27/55/46/338275546.db2.gz FFJLPIICZORXKD-UHFFFAOYSA-N -1 1 313.825 3.953 20 0 DHADMM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cc(F)ccc1[O-] ZINC000436575760 338278088 /nfs/dbraw/zinc/27/80/88/338278088.db2.gz NKIBAPAUSINXDP-HIFRSBDPSA-N -1 1 313.372 3.625 20 0 DHADMM COc1ccc2c(c1)N(C(=O)c1cc(F)ccc1[O-])CCCC2 ZINC000436583253 338278433 /nfs/dbraw/zinc/27/84/33/338278433.db2.gz KBKVKSSYKOBJOO-UHFFFAOYSA-N -1 1 315.344 3.523 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000436587600 338278547 /nfs/dbraw/zinc/27/85/47/338278547.db2.gz PQBARCOOGDTVKP-GFCCVEGCSA-N -1 1 319.763 3.814 20 0 DHADMM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2cc(F)ccc2[O-])C1 ZINC000436590174 338278771 /nfs/dbraw/zinc/27/87/71/338278771.db2.gz RQTFATHKYZEHBC-ZBEGNZNMSA-N -1 1 317.335 3.894 20 0 DHADMM CCCOc1cc(F)ccc1NC(=O)c1cc(F)ccc1[O-] ZINC000436591055 338278857 /nfs/dbraw/zinc/27/88/57/338278857.db2.gz VENZVNIWWJHYJP-UHFFFAOYSA-N -1 1 307.296 3.712 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2ccc([S@@](C)=O)cc2)c([O-])c1 ZINC000436591893 338278982 /nfs/dbraw/zinc/27/89/82/338278982.db2.gz RTGXDSGWBLAMRI-JOCHJYFZSA-N -1 1 317.410 3.505 20 0 DHADMM CCc1c(NC(=O)c2cc(F)ccc2[O-])cnn1C(CC)CC ZINC000436593015 338279131 /nfs/dbraw/zinc/27/91/31/338279131.db2.gz BLIDUQAATSGVCH-UHFFFAOYSA-N -1 1 319.380 3.904 20 0 DHADMM C[C@@H](CCc1ccc(O)cc1)NC(=O)c1ccc(Cl)cc1[O-] ZINC000436603552 338279429 /nfs/dbraw/zinc/27/94/29/338279429.db2.gz LUAKVEMOARFELZ-NSHDSACASA-N -1 1 319.788 3.502 20 0 DHADMM COc1ccc(O)c(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000436603556 338279481 /nfs/dbraw/zinc/27/94/81/338279481.db2.gz LUSWTBZJSGTTFJ-UHFFFAOYSA-N -1 1 309.321 3.512 20 0 DHADMM CCC(CC)n1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000436622664 338280229 /nfs/dbraw/zinc/28/02/29/338280229.db2.gz DOOZPAPUGMWGGS-UHFFFAOYSA-N -1 1 307.781 3.856 20 0 DHADMM COc1ccc2c(c1)CCCCN2C(=O)c1cc(F)ccc1[O-] ZINC000436621903 338280316 /nfs/dbraw/zinc/28/03/16/338280316.db2.gz YMDDYTRZMOAWSW-UHFFFAOYSA-N -1 1 315.344 3.523 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000436626419 338280561 /nfs/dbraw/zinc/28/05/61/338280561.db2.gz IQBAQNCVWLWHAX-SIJIIQCFSA-N -1 1 311.356 3.849 20 0 DHADMM C[C@H]1CCCc2ccccc2[C@H]1NC(=O)c1ccc([O-])cc1F ZINC000436656310 338281929 /nfs/dbraw/zinc/28/19/29/338281929.db2.gz MPNCSFHBHHIVFO-SGTLLEGYSA-N -1 1 313.372 3.975 20 0 DHADMM [O-]c1ccc(-c2noc([C@@H]3C[C@@H]3c3ccc(F)cc3)n2)cc1F ZINC000436683925 338282583 /nfs/dbraw/zinc/28/25/83/338282583.db2.gz WQASLAYSHXMLLS-CHWSQXEVSA-N -1 1 314.291 3.992 20 0 DHADMM COc1ccc(C(=O)Nc2cc(SC)ccc2C)c([O-])c1 ZINC000436689380 338283021 /nfs/dbraw/zinc/28/30/21/338283021.db2.gz NTPSTNBUEXKKPF-UHFFFAOYSA-N -1 1 303.383 3.683 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@@H](CC2CC2)C1 ZINC000436715025 338283938 /nfs/dbraw/zinc/28/39/38/338283938.db2.gz KMHLHINDOVWAGU-NSHDSACASA-N -1 1 313.319 3.673 20 0 DHADMM C[C@H](CNC(=O)c1cc(Cl)ccc1[O-])c1ccc(F)cc1 ZINC000436723796 338284306 /nfs/dbraw/zinc/28/43/06/338284306.db2.gz WDZUHVRPTBGULL-SNVBAGLBSA-N -1 1 307.752 3.718 20 0 DHADMM COc1ccc(C(=O)N2CCCSc3ccccc32)c([O-])c1 ZINC000436753824 338285508 /nfs/dbraw/zinc/28/55/08/338285508.db2.gz FIJUZYQPQXOUMV-UHFFFAOYSA-N -1 1 315.394 3.543 20 0 DHADMM O=C(N[C@H]1CCCC(F)(F)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436753896 338285657 /nfs/dbraw/zinc/28/56/57/338285657.db2.gz WHXFQBYPECIOHL-VIFPVBQESA-N -1 1 323.261 3.719 20 0 DHADMM CC(C)CN(CCc1ccccc1)C(=O)c1cc(F)ccc1[O-] ZINC000436759622 338286017 /nfs/dbraw/zinc/28/60/17/338286017.db2.gz CTOAKCSMRMKLAN-UHFFFAOYSA-N -1 1 315.388 3.872 20 0 DHADMM COc1ccc(-c2nc(-c3occc3C(C)C)no2)c([O-])c1 ZINC000436777533 338286929 /nfs/dbraw/zinc/28/69/29/338286929.db2.gz YLHCJDXXWZVCCL-UHFFFAOYSA-N -1 1 300.314 3.834 20 0 DHADMM C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1cc(F)ccc1[O-] ZINC000436783563 338287145 /nfs/dbraw/zinc/28/71/45/338287145.db2.gz MQUIDYBACVTEMY-ZFWWWQNUSA-N -1 1 313.372 3.940 20 0 DHADMM O=C(N[C@H](c1ccco1)c1ccccc1)c1cc(F)ccc1[O-] ZINC000436794149 338287627 /nfs/dbraw/zinc/28/76/27/338287627.db2.gz ALQDBXMKYQSCSW-KRWDZBQOSA-N -1 1 311.312 3.644 20 0 DHADMM CCc1cccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)c1 ZINC000436813718 338288271 /nfs/dbraw/zinc/28/82/71/338288271.db2.gz ISQDUVDQQUZEHU-UHFFFAOYSA-N -1 1 305.761 3.869 20 0 DHADMM C[C@H](CCCC(F)(F)F)NC(=O)c1ccc(Cl)cc1[O-] ZINC000436818525 338288410 /nfs/dbraw/zinc/28/84/10/338288410.db2.gz VPKADFJGDIFKKG-MRVPVSSYSA-N -1 1 309.715 3.897 20 0 DHADMM O=C(NC[C@H]1CCc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000436828902 338289001 /nfs/dbraw/zinc/28/90/01/338289001.db2.gz JTKWSDHYQMFRNQ-GFCCVEGCSA-N -1 1 301.773 3.505 20 0 DHADMM CCO[C@H](CCNC(=O)c1ccc2ccccc2c1[O-])C(C)C ZINC000436838669 338289348 /nfs/dbraw/zinc/28/93/48/338289348.db2.gz NBGWJNHVZMXGSJ-QGZVFWFLSA-N -1 1 315.413 3.726 20 0 DHADMM O=C(Nc1ccc(Oc2cccnc2)cc1)c1ccccc1[O-] ZINC000436844765 338289699 /nfs/dbraw/zinc/28/96/99/338289699.db2.gz AONQYPDAPZNJBE-UHFFFAOYSA-N -1 1 306.321 3.832 20 0 DHADMM O=C(Nc1ccc(Oc2cccnc2)cc1)c1ccc(O)cc1[O-] ZINC000436849682 338289780 /nfs/dbraw/zinc/28/97/80/338289780.db2.gz UPCXRZPTIJQHKT-UHFFFAOYSA-N -1 1 322.320 3.537 20 0 DHADMM Cc1cc(C(=O)Nc2ccc(Cl)cc2[O-])nn1[C@@H](C)C1CC1 ZINC000436871194 338290741 /nfs/dbraw/zinc/29/07/41/338290741.db2.gz JAOROKMZNHNNFX-JTQLQIEISA-N -1 1 319.792 3.774 20 0 DHADMM O=C(NCCSc1ccccc1)c1ccc(Cl)cc1[O-] ZINC000436870067 338290811 /nfs/dbraw/zinc/29/08/11/338290811.db2.gz NCWCPEULIZIGQK-UHFFFAOYSA-N -1 1 307.802 3.568 20 0 DHADMM CC(C)[C@H](c1nc(-c2ccc([O-])c(F)c2)no1)c1cccnc1 ZINC000436877459 338291229 /nfs/dbraw/zinc/29/12/29/338291229.db2.gz GMDJSAMMLDHGOG-HNNXBMFYSA-N -1 1 313.332 3.764 20 0 DHADMM COc1ccc(C(=O)Nc2ccc(OC(C)(C)C)cc2)c([O-])c1 ZINC000436915664 338293283 /nfs/dbraw/zinc/29/32/83/338293283.db2.gz RSTPCLXHNLXMFE-UHFFFAOYSA-N -1 1 315.369 3.830 20 0 DHADMM Cc1ccc(C(C)(C)NC(=O)c2cc3ccccc3cc2[O-])cn1 ZINC000436921962 338293546 /nfs/dbraw/zinc/29/35/46/338293546.db2.gz LHCFEVRELXGJDN-UHFFFAOYSA-N -1 1 320.392 3.914 20 0 DHADMM Cc1ccc(C(C)(C)NC(=O)c2ccc3ccccc3c2[O-])cn1 ZINC000436922630 338293681 /nfs/dbraw/zinc/29/36/81/338293681.db2.gz OWFAFIMFBXOOAC-UHFFFAOYSA-N -1 1 320.392 3.914 20 0 DHADMM O=C(NCCCCCOC1CCCCC1)c1c([O-])cccc1F ZINC000436956422 338295874 /nfs/dbraw/zinc/29/58/74/338295874.db2.gz MJAGUYALDLKVRO-UHFFFAOYSA-N -1 1 323.408 3.781 20 0 DHADMM CCCCOc1ccc(C(=O)N2CCc3ccccc32)c([O-])c1 ZINC000436974130 338296385 /nfs/dbraw/zinc/29/63/85/338296385.db2.gz WZVDKIABDYRGDQ-UHFFFAOYSA-N -1 1 311.381 3.774 20 0 DHADMM CCCCOc1ccc(C(=O)Nc2sc(C)nc2C)c([O-])c1 ZINC000436975526 338296408 /nfs/dbraw/zinc/29/64/08/338296408.db2.gz BDBQWGMBUJOKFZ-UHFFFAOYSA-N -1 1 320.414 3.897 20 0 DHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000438807352 338352274 /nfs/dbraw/zinc/35/22/74/338352274.db2.gz CYUPQKWWCYIGFD-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM COC(C)(C)CS(=O)(=O)[N-]c1ccccc1-c1ccccc1 ZINC000439251494 338364935 /nfs/dbraw/zinc/36/49/35/338364935.db2.gz OAPMKSZRLRTSAZ-UHFFFAOYSA-N -1 1 319.426 3.520 20 0 DHADMM O=C([O-])c1cccc2oc(/C=C/c3cc(F)c(O)c(F)c3)nc21 ZINC000439281246 338366023 /nfs/dbraw/zinc/36/60/23/338366023.db2.gz WMADULQUKWJRIU-SNAWJCMRSA-N -1 1 317.247 3.680 20 0 DHADMM COc1cc(C(=O)[N-]c2c(Cl)cc(Cl)cc2Cl)on1 ZINC000439287414 338366144 /nfs/dbraw/zinc/36/61/44/338366144.db2.gz WENCWQFEFVQRGD-UHFFFAOYSA-N -1 1 321.547 3.896 20 0 DHADMM Cc1ccc(CS(=O)(=O)[N-]c2ncccc2C(C)C)c(F)c1 ZINC000446790661 338536133 /nfs/dbraw/zinc/53/61/33/338536133.db2.gz CAXZJNAZMZZSPX-UHFFFAOYSA-N -1 1 322.405 3.594 20 0 DHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C)c(OC(C)C)c2)c1 ZINC000447266926 338547822 /nfs/dbraw/zinc/54/78/22/338547822.db2.gz ZAHYDRMHAAOTKG-UHFFFAOYSA-N -1 1 319.426 3.891 20 0 DHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1CCCCC1(F)F ZINC000449802798 338654134 /nfs/dbraw/zinc/65/41/34/338654134.db2.gz MBXBORYICGERGR-LBPRGKRZSA-N -1 1 321.327 3.546 20 0 DHADMM CCC[C@@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)C1CCC1 ZINC000458310725 338995646 /nfs/dbraw/zinc/99/56/46/338995646.db2.gz RGKYADNKFUYWRM-CYBMUJFWSA-N -1 1 311.809 3.753 20 0 DHADMM O=c1cc(CN2CCC[C@@H]2c2cccc(F)c2)nc(C2CC2)[nH]1 ZINC000459296745 339020011 /nfs/dbraw/zinc/02/00/11/339020011.db2.gz HEHGYMKAKOSBTK-MRXNPFEDSA-N -1 1 313.376 3.536 20 0 DHADMM Cc1ccsc1S(=O)(=O)[N-]c1c(C)cccc1Cl ZINC000461151074 339059887 /nfs/dbraw/zinc/05/98/87/339059887.db2.gz STAMTUZVIVNXEK-UHFFFAOYSA-N -1 1 301.820 3.819 20 0 DHADMM O=c1cc(C2CC2)nc(SCc2ccn(-c3ccccc3)n2)[n-]1 ZINC000470450385 339320047 /nfs/dbraw/zinc/32/00/47/339320047.db2.gz YVHBYGFXSPUSHD-UHFFFAOYSA-N -1 1 324.409 3.538 20 0 DHADMM CSc1cccc(C)c1[N-]S(=O)(=O)c1ccccc1C ZINC000471977548 339358627 /nfs/dbraw/zinc/35/86/27/339358627.db2.gz ICKWCWQEOBDUJM-UHFFFAOYSA-N -1 1 307.440 3.826 20 0 DHADMM CCCCOc1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000511256026 340324459 /nfs/dbraw/zinc/32/44/59/340324459.db2.gz CEVXYHNGLVJVKE-UHFFFAOYSA-N -1 1 323.389 3.805 20 0 DHADMM CC[C@H](CC1CCCCC1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000511540725 340330038 /nfs/dbraw/zinc/33/00/38/340330038.db2.gz MLYJDDUDROMPOC-SNVBAGLBSA-N -1 1 318.343 3.759 20 0 DHADMM CS[C@H]1CCC[C@@H](NC(=O)c2cc3ccccc3cc2[O-])C1 ZINC000303661707 340340984 /nfs/dbraw/zinc/34/09/84/340340984.db2.gz HNWXGKGWPIEWLV-CABCVRRESA-N -1 1 315.438 3.949 20 0 DHADMM CO[C@H]1Cc2ccccc2N(Cc2cccc([O-])c2Cl)C1 ZINC000513526111 340412209 /nfs/dbraw/zinc/41/22/09/340412209.db2.gz SGRHVPGWBIETPY-AWEZNQCLSA-N -1 1 303.789 3.623 20 0 DHADMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)c1 ZINC000176700838 340430479 /nfs/dbraw/zinc/43/04/79/340430479.db2.gz XAMLGVNEJLCQLK-GFCCVEGCSA-N -1 1 323.389 3.642 20 0 DHADMM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccccc1Cl ZINC000516817010 340456490 /nfs/dbraw/zinc/45/64/90/340456490.db2.gz YEIMINQUCPPOKQ-MRVPVSSYSA-N -1 1 311.715 3.815 20 0 DHADMM CCc1c(C(=O)Nc2ccc([O-])c(Cl)c2)cnn1CC(C)C ZINC000182867868 340485701 /nfs/dbraw/zinc/48/57/01/340485701.db2.gz XZCUPJNHHOVLGF-UHFFFAOYSA-N -1 1 321.808 3.713 20 0 DHADMM O=S(=O)([N-]c1ccc2scnc2c1)c1ccc(Cl)cc1 ZINC000195107113 340574396 /nfs/dbraw/zinc/57/43/96/340574396.db2.gz QTXLSFTZCYTOQP-UHFFFAOYSA-N -1 1 324.814 3.751 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)cc1F ZINC000194156258 340589610 /nfs/dbraw/zinc/58/96/10/340589610.db2.gz RNYMDFZRLCCKBY-UHFFFAOYSA-N -1 1 322.386 3.545 20 0 DHADMM Cc1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1C ZINC000525017885 340687186 /nfs/dbraw/zinc/68/71/86/340687186.db2.gz AANVYNNFZXMPCU-UHFFFAOYSA-N -1 1 315.316 3.522 20 0 DHADMM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1ncccc1[O-] ZINC000127696623 340855214 /nfs/dbraw/zinc/85/52/14/340855214.db2.gz LPEGDLBNZHHNJZ-MRXNPFEDSA-N -1 1 312.413 3.579 20 0 DHADMM O=C(Cc1cnc2ccccc2c1)Nc1ccc([O-])c(Cl)c1 ZINC000132664900 341137861 /nfs/dbraw/zinc/13/78/61/341137861.db2.gz SMPQYJUTNUUKHL-UHFFFAOYSA-N -1 1 312.756 3.775 20 0 DHADMM CCOc1cc(C(=O)N[C@H]2CCC(C)(C)C2)cc(Cl)c1[O-] ZINC000545843640 341143116 /nfs/dbraw/zinc/14/31/16/341143116.db2.gz YGZRUDNGNZLBEV-NSHDSACASA-N -1 1 311.809 3.753 20 0 DHADMM CCO[C@H](C)c1ncc(C(=O)[N-]c2c(C)noc2C2CC2)s1 ZINC000545919871 341146015 /nfs/dbraw/zinc/14/60/15/341146015.db2.gz QWDTUQPTQWDQIW-SECBINFHSA-N -1 1 321.402 3.667 20 0 DHADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3ncccc3c2)c1 ZINC000135935742 341248515 /nfs/dbraw/zinc/24/85/15/341248515.db2.gz XPSAUZKFWVOTKL-UHFFFAOYSA-N -1 1 312.394 3.652 20 0 DHADMM CC(C)c1nnc([N-]C(=O)c2coc(C3CCCCC3)n2)s1 ZINC000548259406 341253457 /nfs/dbraw/zinc/25/34/57/341253457.db2.gz UNUCFNJMGJTQDH-UHFFFAOYSA-N -1 1 320.418 3.950 20 0 DHADMM Cc1cnc(C(=O)N2CCCC[C@@H]2c2ccc(F)cc2)c([O-])c1 ZINC000548634020 341268070 /nfs/dbraw/zinc/26/80/70/341268070.db2.gz DOAHVDPGGXVJSU-OAHLLOKOSA-N -1 1 314.360 3.602 20 0 DHADMM CCCc1cc(=O)[n-]c(SC[C@@H](OC)c2ccccc2)n1 ZINC000549223941 341289012 /nfs/dbraw/zinc/28/90/12/341289012.db2.gz OPXVCCKUVFHTCY-CQSZACIVSA-N -1 1 304.415 3.615 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1Cc2ccccc2S1 ZINC000082192651 341317805 /nfs/dbraw/zinc/31/78/05/341317805.db2.gz KQMOSKXLXZCPOL-CQSZACIVSA-N -1 1 305.786 3.701 20 0 DHADMM Cc1cccc(OCCSc2nc(C(F)F)cc(=O)[n-]2)c1 ZINC000564391522 341391919 /nfs/dbraw/zinc/39/19/19/341391919.db2.gz FORKVFWKMILHCP-UHFFFAOYSA-N -1 1 312.341 3.599 20 0 DHADMM O=c1cc(C(F)F)nc(SCc2nc3ccccc3o2)[n-]1 ZINC000564392215 341395214 /nfs/dbraw/zinc/39/52/14/341395214.db2.gz VWFLFBKIAVIQMG-UHFFFAOYSA-N -1 1 309.297 3.553 20 0 DHADMM CC(C)(C)C[C@@H](NC(=O)c1ccc([O-])cc1F)C(F)(F)F ZINC000155720228 518678203 /nfs/dbraw/zinc/67/82/03/518678203.db2.gz CAWUPBSPZNJHOC-LLVKDONJSA-N -1 1 307.287 3.628 20 0 DHADMM CC1(C)CCCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000338386949 520326765 /nfs/dbraw/zinc/32/67/65/520326765.db2.gz VQJWAIZUAXNPKO-UHFFFAOYSA-N -1 1 318.804 3.856 20 0 DHADMM CC[C@@]1(C)CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000338413128 523711356 /nfs/dbraw/zinc/71/13/56/523711356.db2.gz BEWTUAWNAKYFOD-KRWDZBQOSA-N -1 1 318.804 3.856 20 0 DHADMM C[C@@H](C(=O)[N-]OCCC(F)(F)F)c1ccc2ccccc2c1 ZINC000162887106 524220450 /nfs/dbraw/zinc/22/04/50/524220450.db2.gz IDNRPIJEORIAQE-LLVKDONJSA-N -1 1 311.303 3.944 20 0 DHADMM Cc1noc(C)c1[C@H](C)CNC(=O)c1ccc2ccccc2c1[O-] ZINC000162773239 526575470 /nfs/dbraw/zinc/57/54/70/526575470.db2.gz BENXEBNEIKQEIK-LLVKDONJSA-N -1 1 324.380 3.684 20 0 DHADMM CC(C)(c1nc(-c2ccc([O-])cc2Cl)no1)C1CCOCC1 ZINC000289124237 535337327 /nfs/dbraw/zinc/33/73/27/535337327.db2.gz QLSHVLQBBGKTRQ-UHFFFAOYSA-N -1 1 322.792 3.800 20 0 DHADMM c1cc(-c2nn[n-]n2)sc1CNc1ccc2ccccc2c1 ZINC000823801818 607308758 /nfs/dbraw/zinc/30/87/58/607308758.db2.gz CECVXSIBYAYYMD-UHFFFAOYSA-N -1 1 307.382 3.694 20 0 DHADMM O=C([O-])c1ccc(CN[C@@H](c2ccccc2)c2cccnc2)cc1 ZINC000821545615 598214672 /nfs/dbraw/zinc/21/46/72/598214672.db2.gz JESBBYYQBGCFQF-IBGZPJMESA-N -1 1 318.376 3.659 20 0 DHADMM O=C([O-])[C@H](NCCC(F)(F)F)c1ccc(Cl)cc1Cl ZINC000833168390 600761362 /nfs/dbraw/zinc/76/13/62/600761362.db2.gz XRIFOTQAJVXYRT-SECBINFHSA-N -1 1 316.106 3.661 20 0 DHADMM O=C([O-])c1coc(CN2CCC(c3ccc(F)c(F)c3)CC2)c1 ZINC000740269952 599794929 /nfs/dbraw/zinc/79/49/29/599794929.db2.gz SHAGVUCZHWDKNV-UHFFFAOYSA-N -1 1 321.323 3.636 20 0 DHADMM C[C@@H]1c2ccsc2CCN1Cc1ccc(F)cc1C(=O)[O-] ZINC000071264873 600081986 /nfs/dbraw/zinc/08/19/86/600081986.db2.gz BGSWOAQEMQPWOL-SNVBAGLBSA-N -1 1 305.374 3.705 20 0 DHADMM C[C@@H](c1ccccc1F)N(C)Cc1ccc(F)cc1C(=O)[O-] ZINC000387939096 600085371 /nfs/dbraw/zinc/08/53/71/600085371.db2.gz DXVAFFOENCRMNG-NSHDSACASA-N -1 1 305.324 3.856 20 0 DHADMM CC[C@H]1c2ccsc2CCN1Cc1cc(C(=O)[O-])c(C)o1 ZINC000566359141 600104433 /nfs/dbraw/zinc/10/44/33/600104433.db2.gz RCJMBLUMLPHMBD-AWEZNQCLSA-N -1 1 305.399 3.857 20 0 DHADMM O=C([O-])c1cc(F)ccc1CN1CCCC[C@H]1c1ccco1 ZINC000740079816 600218054 /nfs/dbraw/zinc/21/80/54/600218054.db2.gz VFNXRVKPPNZKLK-HNNXBMFYSA-N -1 1 303.333 3.844 20 0 DHADMM Cc1nc2c(s1)[C@H](N(C)Cc1cc(C(=O)[O-])oc1C)CCC2 ZINC000563278521 600336374 /nfs/dbraw/zinc/33/63/74/600336374.db2.gz XLEKRCLZBUZNRK-CYBMUJFWSA-N -1 1 320.414 3.561 20 0 DHADMM O=C([O-])[C@H](c1cccc(Cl)c1)[N@H+]1CCc2sccc2C1 ZINC000517576772 600395798 /nfs/dbraw/zinc/39/57/98/600395798.db2.gz ZESMVEIHKILIKB-AWEZNQCLSA-N -1 1 307.802 3.586 20 0 DHADMM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCc2sccc2C1 ZINC000517576772 600395800 /nfs/dbraw/zinc/39/58/00/600395800.db2.gz ZESMVEIHKILIKB-AWEZNQCLSA-N -1 1 307.802 3.586 20 0 DHADMM CCc1ccc([C@H]2CCCN2Cc2cc(C(=O)[O-])c(C)o2)o1 ZINC000578635196 600410822 /nfs/dbraw/zinc/41/08/22/600410822.db2.gz ZUEDLNWWGCTHJL-OAHLLOKOSA-N -1 1 303.358 3.779 20 0 DHADMM Cc1ccc([C@H]2CCCCCN2Cc2cc(C(=O)[O-])co2)o1 ZINC000738584119 600442890 /nfs/dbraw/zinc/44/28/90/600442890.db2.gz TWIYXWMYMWSXNA-OAHLLOKOSA-N -1 1 303.358 3.997 20 0 DHADMM CC[C@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1F ZINC000736919150 600453281 /nfs/dbraw/zinc/45/32/81/600453281.db2.gz FRXWIXPQDKSKMR-HOTGVXAUSA-N -1 1 323.314 3.971 20 0 DHADMM O=C([O-])[C@@H](NCCC(F)(F)F)c1ccc(Cl)cc1Cl ZINC000833168392 600761655 /nfs/dbraw/zinc/76/16/55/600761655.db2.gz XRIFOTQAJVXYRT-VIFPVBQESA-N -1 1 316.106 3.661 20 0 DHADMM C[C@H]1CCCCN1Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000565101477 600815517 /nfs/dbraw/zinc/81/55/17/600815517.db2.gz MCZKMBQLXNGCHG-LBPRGKRZSA-N -1 1 316.426 3.883 20 0 DHADMM C[C@H]1CCCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC000652366886 600815826 /nfs/dbraw/zinc/81/58/26/600815826.db2.gz XKBSXQKVRAHCAT-LBPRGKRZSA-N -1 1 316.426 3.740 20 0 DHADMM C[C@@H]1C[C@@H](c2ccccc2F)N(Cc2ccc(C(=O)[O-])o2)C1 ZINC000582425576 600839863 /nfs/dbraw/zinc/83/98/63/600839863.db2.gz DOXZMBGIRBRNTB-ABAIWWIYSA-N -1 1 303.333 3.700 20 0 DHADMM CCc1ccc([C@@H]2CCCCN2Cc2occc2C(=O)[O-])o1 ZINC000521633897 600968310 /nfs/dbraw/zinc/96/83/10/600968310.db2.gz LYDKIADOBKHWSQ-AWEZNQCLSA-N -1 1 303.358 3.860 20 0 DHADMM C/C(=C/CN1CCC[C@@H]1c1cccc(Br)c1)C(=O)[O-] ZINC000825741269 601052335 /nfs/dbraw/zinc/05/23/35/601052335.db2.gz LEZAYZBOUJBSRI-SMJHDNPOSA-N -1 1 324.218 3.617 20 0 DHADMM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1C2CCC1CC2 ZINC000833172697 601156010 /nfs/dbraw/zinc/15/60/10/601156010.db2.gz XBWINXJJHDPPCV-ZPPKWKGLSA-N -1 1 300.185 3.746 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN1CCC[C@H]1c1ccc(C)o1 ZINC000574697122 601419146 /nfs/dbraw/zinc/41/91/46/601419146.db2.gz KTHBZXKATNEBGV-ZDUSSCGKSA-N -1 1 303.358 3.779 20 0 DHADMM C/C(=C\CN1CCC[C@H]1c1ccccc1Br)C(=O)[O-] ZINC000825741261 601498475 /nfs/dbraw/zinc/49/84/75/601498475.db2.gz LDWFMPSIZLAKFU-ZHZWZMEUSA-N -1 1 324.218 3.617 20 0 DHADMM Cc1ccc(CN(Cc2ccc(C(=O)[O-])c(F)c2)C2CC2)o1 ZINC000659786679 601619685 /nfs/dbraw/zinc/61/96/85/601619685.db2.gz WSJHTLKWVFYOHE-UHFFFAOYSA-N -1 1 303.333 3.590 20 0 DHADMM Cc1nc(C)c([C@H](C)N(C)Cc2ccc(C(=O)[O-])c(F)c2)s1 ZINC000571346135 601632841 /nfs/dbraw/zinc/63/28/41/601632841.db2.gz YWFKOZOVMNKUFS-JTQLQIEISA-N -1 1 322.405 3.790 20 0 DHADMM CSc1cc(C)ccc1CN[C@H](C(=O)[O-])c1ccccc1F ZINC000832774527 601644303 /nfs/dbraw/zinc/64/43/03/601644303.db2.gz NPMVWWLKMANKGK-INIZCTEOSA-N -1 1 319.401 3.772 20 0 DHADMM C[C@H]1c2ccc(F)cc2CCN1Cc1ccc(C(=O)[O-])s1 ZINC000828527016 601957421 /nfs/dbraw/zinc/95/74/21/601957421.db2.gz GTLXXVZTZXKAKA-JTQLQIEISA-N -1 1 305.374 3.705 20 0 DHADMM CC[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1cc(F)ccc1F ZINC000826620296 603557564 /nfs/dbraw/zinc/55/75/64/603557564.db2.gz QNCFYNKNJGYEJJ-CQSZACIVSA-N -1 1 321.327 3.691 20 0 DHADMM CC(C)Oc1ccc([C@@H](C)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000316747389 604329469 /nfs/dbraw/zinc/32/94/69/604329469.db2.gz YVEMHXZWFKEFOV-GFCCVEGCSA-N -1 1 303.358 3.616 20 0 DHADMM Cc1nc(CNC(C)(C)CC(=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000832997843 604442808 /nfs/dbraw/zinc/44/28/08/604442808.db2.gz ICCNWYLCTLMGJS-UHFFFAOYSA-N -1 1 322.792 3.646 20 0 DHADMM O=C([O-])[C@H]1CC12CCN(Cc1cccc(Cl)c1Cl)CC2 ZINC000405363338 604649299 /nfs/dbraw/zinc/64/92/99/604649299.db2.gz GUWDIWIODNLFGI-LLVKDONJSA-N -1 1 314.212 3.680 20 0 DHADMM O=C([O-])c1cc(CN2CCCC[C@H]2c2ccc(F)cc2)c[nH]1 ZINC000833780554 604667306 /nfs/dbraw/zinc/66/73/06/604667306.db2.gz ZPXKLGWNOHADPV-INIZCTEOSA-N -1 1 302.349 3.579 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN(C)[C@H](CC)c1ccncc1 ZINC000833679381 604720998 /nfs/dbraw/zinc/72/09/98/604720998.db2.gz YXRIFGPWERMMNE-CQSZACIVSA-N -1 1 302.374 3.518 20 0 DHADMM C/C(=C/CN[C@@H](C)c1cc(F)c(Cl)cc1Cl)C(=O)[O-] ZINC000833384491 605062443 /nfs/dbraw/zinc/06/24/43/605062443.db2.gz RJZOLFLPQPGXHZ-PFPYCLJUSA-N -1 1 306.164 3.814 20 0 DHADMM C[C@@H](NCc1ccc(C(=O)[O-])c(F)c1)c1ccc(F)cc1F ZINC000833739090 605138529 /nfs/dbraw/zinc/13/85/29/605138529.db2.gz FRWWNRXVQCOHTA-SECBINFHSA-N -1 1 309.287 3.653 20 0 DHADMM CC[C@H](NCc1ccc(C(=O)[O-])s1)c1ccc(F)cc1F ZINC000833643776 605143081 /nfs/dbraw/zinc/14/30/81/605143081.db2.gz HBIRIYBVVXXRIZ-ZDUSSCGKSA-N -1 1 311.353 3.965 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN[C@H](C)c1ccc(F)c(C)c1 ZINC000833681189 605176660 /nfs/dbraw/zinc/17/66/60/605176660.db2.gz WOICQJSMVPLHDE-LLVKDONJSA-N -1 1 305.349 3.839 20 0 DHADMM CC(C)(C(=O)[O-])[C@@H](NC/C(Cl)=C/Cl)c1ccccc1 ZINC000833413450 605177891 /nfs/dbraw/zinc/17/78/91/605177891.db2.gz NBOMBBDJTCRZRY-KGTBHZDVSA-N -1 1 302.201 3.747 20 0 DHADMM O=C([O-])N1CCCc2cc(NCc3ccc4nc[nH]c4c3)ccc21 ZINC000832018488 605254595 /nfs/dbraw/zinc/25/45/95/605254595.db2.gz MAIFHLXYYAQELS-UHFFFAOYSA-N -1 1 322.368 3.606 20 0 DHADMM c1cc2cccc(NCc3ccc(-c4nn[n-]n4)s3)c2s1 ZINC000826517342 607754132 /nfs/dbraw/zinc/75/41/32/607754132.db2.gz ZCAYMIMUINPAGN-UHFFFAOYSA-N -1 1 313.411 3.755 20 0 DHADMM O=C([O-])N1CCc2cccc(CN3CCC[C@H]3c3ccco3)c21 ZINC000834122231 605594422 /nfs/dbraw/zinc/59/44/22/605594422.db2.gz FSAYPCPEPYBXAM-HNNXBMFYSA-N -1 1 312.369 3.657 20 0 DHADMM O=C([O-])N[C@@H]1C[C@H](N[C@H]2CCOc3ccccc32)c2ccccc21 ZINC000834160825 605790938 /nfs/dbraw/zinc/79/09/38/605790938.db2.gz WYRRMHPDOLXRKC-YESZJQIVSA-N -1 1 324.380 3.554 20 0 DHADMM C(=Cc1ccc2ccccc2n1)c1ccc(-c2nn[n-]n2)s1 ZINC000819709862 606386682 /nfs/dbraw/zinc/38/66/82/606386682.db2.gz RWAFVIOSZRPYBX-FPLPWBNLSA-N -1 1 305.366 3.647 20 0 DHADMM CC(C)c1ccc(CSc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000824347632 607897961 /nfs/dbraw/zinc/89/79/61/607897961.db2.gz ICDLHWDKXIAGKQ-UHFFFAOYSA-N -1 1 311.414 3.677 20 0 DHADMM CC(C)c1ccc(CSc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000824347632 607897962 /nfs/dbraw/zinc/89/79/62/607897962.db2.gz ICDLHWDKXIAGKQ-UHFFFAOYSA-N -1 1 311.414 3.677 20 0 DHADMM CC(C)CCC(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000824244082 607929861 /nfs/dbraw/zinc/92/98/61/607929861.db2.gz QNPFESMNHZJIDL-UHFFFAOYSA-N -1 1 321.450 3.600 20 0 DHADMM CC(C)CCC(=O)Nc1cc(C(C)(C)C)sc1-c1nn[n-]n1 ZINC000824244082 607929862 /nfs/dbraw/zinc/92/98/62/607929862.db2.gz QNPFESMNHZJIDL-UHFFFAOYSA-N -1 1 321.450 3.600 20 0 DHADMM Cc1ccc(NCc2ccc(-c3nn[n-]n3)s2)c(Cl)c1 ZINC000826291437 608449903 /nfs/dbraw/zinc/44/99/03/608449903.db2.gz FUZCVPGGAIZENC-UHFFFAOYSA-N -1 1 305.794 3.502 20 0 DHADMM CC(C)c1ccc(SCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC001574416732 948760737 /nfs/dbraw/zinc/76/07/37/948760737.db2.gz FRVOEAUKRCERLI-UHFFFAOYSA-N -1 1 300.387 3.875 20 0 DHADMM CC(C)c1ccc(SCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC001574416732 948760746 /nfs/dbraw/zinc/76/07/46/948760746.db2.gz FRVOEAUKRCERLI-UHFFFAOYSA-N -1 1 300.387 3.875 20 0 DHADMM C[C@@H]1CN(Cc2cc(Cl)ccc2Cl)CC[C@@H]1C(=O)[O-] ZINC000302559254 950570078 /nfs/dbraw/zinc/57/00/78/950570078.db2.gz XTDFWZWEFORHED-SKDRFNHKSA-N -1 1 302.201 3.536 20 0 DHADMM O=C([O-])[C@H]1c2ccccc2CCN1Cc1sccc1Cl ZINC000313016049 950781604 /nfs/dbraw/zinc/78/16/04/950781604.db2.gz XCCRXJMOCQMBHN-CQSZACIVSA-N -1 1 307.802 3.586 20 0 DHADMM O=C([O-])C[C@H]1CCCN(Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000317033890 950897535 /nfs/dbraw/zinc/89/75/35/950897535.db2.gz TWFNMESLKAOULN-SNVBAGLBSA-N -1 1 319.298 3.531 20 0 DHADMM Cc1cccc([C@H]2CCCCCN2C(=O)c2cncc([O-])c2)c1 ZINC000339950330 1013142444 /nfs/dbraw/zinc/14/24/44/1013142444.db2.gz GJEQUDNREQVNSX-GOSISDBHSA-N -1 1 310.397 3.853 20 0 DHADMM CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)c1cncc([O-])c1 ZINC000339950914 1013143213 /nfs/dbraw/zinc/14/32/13/1013143213.db2.gz KRRCDCSPOOENHI-INIZCTEOSA-N -1 1 318.804 3.910 20 0 DHADMM O=C([O-])C1(CCN(Cc2c(F)cccc2F)C2CC2)CCC1 ZINC000903700834 956890420 /nfs/dbraw/zinc/89/04/20/956890420.db2.gz HODJWUPGEUQHGL-UHFFFAOYSA-N -1 1 309.356 3.574 20 0 DHADMM COc1ccc(Cl)cc1CN[C@H](C(=O)[O-])c1cccc(C)c1 ZINC001594098372 958417694 /nfs/dbraw/zinc/41/76/94/958417694.db2.gz JZPKWSICCAZCNR-INIZCTEOSA-N -1 1 319.788 3.573 20 0 DHADMM O=C(Nc1nc2c(s1)CCCCCC2)c1cc(F)ccc1[O-] ZINC001626668347 1013234509 /nfs/dbraw/zinc/23/45/09/1013234509.db2.gz ABRLZPAAXOOPEL-UHFFFAOYSA-N -1 1 320.389 3.899 20 0 DHADMM O=C([N-]Cc1cc(F)ccc1F)C(F)(F)c1ccc(F)cc1 ZINC000729440754 1013341909 /nfs/dbraw/zinc/34/19/09/1013341909.db2.gz LULPGCGYZNWYAN-UHFFFAOYSA-N -1 1 315.241 3.512 20 0 DHADMM Fc1ccc2nc([N-][C@@H](C[C@H]3CCCO3)C(F)(F)F)oc2c1 ZINC000894435193 1013360102 /nfs/dbraw/zinc/36/01/02/1013360102.db2.gz LYXCKZBTQFSMJM-SKDRFNHKSA-N -1 1 318.270 3.879 20 0 DHADMM C[C@@]1(C(=O)[O-])CCN(Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000263477221 962662682 /nfs/dbraw/zinc/66/26/82/962662682.db2.gz FNEKRAGNZXLUHK-CYBMUJFWSA-N -1 1 321.726 3.655 20 0 DHADMM Fc1ccc2nc([N-][C@@H](C[C@@H]3CCCO3)C(F)(F)F)oc2c1 ZINC000894435191 1013361908 /nfs/dbraw/zinc/36/19/08/1013361908.db2.gz LYXCKZBTQFSMJM-CABZTGNLSA-N -1 1 318.270 3.879 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000340330576 1013497650 /nfs/dbraw/zinc/49/76/50/1013497650.db2.gz RLXKVTJMNUDXSP-NWDGAFQWSA-N -1 1 307.271 3.552 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1cc(C2CCCCC2)[nH]n1 ZINC000340331343 1013498616 /nfs/dbraw/zinc/49/86/16/1013498616.db2.gz URPHHKJQAZNNSV-UHFFFAOYSA-N -1 1 303.337 3.554 20 0 DHADMM C[C@H](CC(=O)Nc1ccc(F)cc1[O-])C(=O)c1cccc(F)c1 ZINC000340331707 1013499847 /nfs/dbraw/zinc/49/98/47/1013499847.db2.gz XHSUEXRFIZAPHH-SNVBAGLBSA-N -1 1 319.307 3.518 20 0 DHADMM C[C@H](c1cccc(Cl)c1)N(C)Cc1ccc(C(=O)[O-])cn1 ZINC000094762727 1013538509 /nfs/dbraw/zinc/53/85/09/1013538509.db2.gz RROSMFLQLYFEFZ-LLVKDONJSA-N -1 1 304.777 3.626 20 0 DHADMM [O-]c1ccc(-c2noc(C[C@@H]3CCc4ccccc43)n2)c(F)c1 ZINC000683592194 1013697251 /nfs/dbraw/zinc/69/72/51/1013697251.db2.gz QUIUZRGNYPNKMJ-LBPRGKRZSA-N -1 1 310.328 3.854 20 0 DHADMM COCc1ccccc1CNC(=O)c1cc2ccccc2cc1[O-] ZINC000025303924 1013754193 /nfs/dbraw/zinc/75/41/93/1013754193.db2.gz IINRBWMVMGYEPT-UHFFFAOYSA-N -1 1 321.376 3.622 20 0 DHADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(F)cc1C(F)(F)F ZINC000263515596 967898681 /nfs/dbraw/zinc/89/86/81/967898681.db2.gz OPQPKFRBVZQMQU-ONGXEEELSA-N -1 1 319.298 3.530 20 0 DHADMM CCc1onc(C)c1[N-]C(=O)c1cc(-c2ccccc2)ns1 ZINC000340429517 1013772439 /nfs/dbraw/zinc/77/24/39/1013772439.db2.gz VIASTPRBXZZQFN-UHFFFAOYSA-N -1 1 313.382 3.921 20 0 DHADMM O=C(NCc1ccc(Cl)s1)c1ccc(Cl)cc1[O-] ZINC000070211463 1013780140 /nfs/dbraw/zinc/78/01/40/1013780140.db2.gz VHLOQLCZIWVMHR-UHFFFAOYSA-N -1 1 302.182 3.691 20 0 DHADMM [O-]c1cccc(CN[C@H](C[C@H]2CCCO2)C(F)(F)F)c1Cl ZINC000655854464 1013784493 /nfs/dbraw/zinc/78/44/93/1013784493.db2.gz VTIWZZUPLUHBBT-ZYHUDNBSSA-N -1 1 323.742 3.635 20 0 DHADMM CCc1nc(S[C@H](CC)C(=O)c2ccccc2)[n-]c(=O)c1C ZINC000579978739 1013828235 /nfs/dbraw/zinc/82/82/35/1013828235.db2.gz BNDCQAYAEMIRAO-CQSZACIVSA-N -1 1 316.426 3.807 20 0 DHADMM CCOc1cc(C(=O)N[C@H]2CCC[C@@H]2CC)cc(Cl)c1[O-] ZINC000334038707 1013887349 /nfs/dbraw/zinc/88/73/49/1013887349.db2.gz KLTDCTHOFCIHEA-GWCFXTLKSA-N -1 1 311.809 3.753 20 0 DHADMM CC(C)[C@H](NC(=O)Nc1ccc([O-])c(Cl)c1)C(F)(F)F ZINC000417437695 1013903992 /nfs/dbraw/zinc/90/39/92/1013903992.db2.gz RRRPQORIKJURPS-JTQLQIEISA-N -1 1 310.703 3.754 20 0 DHADMM O=C(N[C@@H]1CCCc2ccc(F)cc21)c1c(F)ccc([O-])c1F ZINC000580060200 1014010293 /nfs/dbraw/zinc/01/02/93/1014010293.db2.gz WRHUQTGCYSAYDB-CYBMUJFWSA-N -1 1 321.298 3.617 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1cc(C2CCCCC2)[nH]n1 ZINC000089493355 1014083807 /nfs/dbraw/zinc/08/38/07/1014083807.db2.gz REAMCFJNWNMTFB-UHFFFAOYSA-N -1 1 303.337 3.554 20 0 DHADMM C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000721214074 1014088017 /nfs/dbraw/zinc/08/80/17/1014088017.db2.gz XIYNDTXHXUNXEU-YYABJKIQSA-N -1 1 314.212 3.707 20 0 DHADMM C[C@H](c1cc(Cl)ccc1Cl)N1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000721214074 1014088021 /nfs/dbraw/zinc/08/80/21/1014088021.db2.gz XIYNDTXHXUNXEU-YYABJKIQSA-N -1 1 314.212 3.707 20 0 DHADMM FC(F)(F)[C@H](C[C@H]1CCCO1)[N-]c1nc2ccccc2o1 ZINC000656224242 1014149582 /nfs/dbraw/zinc/14/95/82/1014149582.db2.gz FDOUPNGMPGGMHS-SKDRFNHKSA-N -1 1 300.280 3.740 20 0 DHADMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1csc(C(C)(C)C)n1 ZINC000530177048 974363526 /nfs/dbraw/zinc/36/35/26/974363526.db2.gz WKRJEGQMEWOIMV-ZSBIGDGJSA-N -1 1 310.463 3.514 20 0 DHADMM O=C([O-])c1occc1CN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000564660535 974551510 /nfs/dbraw/zinc/55/15/10/974551510.db2.gz HORUUCPXUCGZSE-CQSZACIVSA-N -1 1 305.761 3.968 20 0 DHADMM O=C([O-])c1ccc(CN2CCC[C@H]2c2cccs2)c(F)c1 ZINC000565103805 974570487 /nfs/dbraw/zinc/57/04/87/974570487.db2.gz KQNCCKLAYGWYRT-AWEZNQCLSA-N -1 1 305.374 3.923 20 0 DHADMM CC(C)C[C@@H](C(=O)[O-])N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000568991985 974681680 /nfs/dbraw/zinc/68/16/80/974681680.db2.gz YYDHNNKWEFWGLA-KGLIPLIRSA-N -1 1 318.442 3.933 20 0 DHADMM C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1csc(C(=O)[O-])c1 ZINC000571453450 974729714 /nfs/dbraw/zinc/72/97/14/974729714.db2.gz SGCRTTYWRWOSBQ-VIFPVBQESA-N -1 1 311.353 3.918 20 0 DHADMM O=C([O-])C[C@@H]1CCCN1Cc1csc(C2CCCCC2)n1 ZINC000572889552 974756149 /nfs/dbraw/zinc/75/61/49/974756149.db2.gz RPMGHNBKIZBWPX-AWEZNQCLSA-N -1 1 308.447 3.630 20 0 DHADMM COc1ccccc1CN(Cc1ccccc1C(=O)[O-])C1CC1 ZINC000573808525 974771650 /nfs/dbraw/zinc/77/16/50/974771650.db2.gz NHCZIOGEPMYOMP-UHFFFAOYSA-N -1 1 311.381 3.558 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CN1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000576710549 974820590 /nfs/dbraw/zinc/82/05/90/974820590.db2.gz MBZWBQQWNXZBBU-SMDDNHRTSA-N -1 1 303.358 3.852 20 0 DHADMM CC(C)N(CCC(=O)[O-])Cc1nc(C2CCCCC2)cs1 ZINC000652478811 975547519 /nfs/dbraw/zinc/54/75/19/975547519.db2.gz ZCARAMCQJWYWPY-UHFFFAOYSA-N -1 1 310.463 3.876 20 0 DHADMM Cc1cc([C@@H](C)N2C[C@@H](C)OC3(CCCCC3)C2)oc1C(=O)[O-] ZINC000656192468 975647665 /nfs/dbraw/zinc/64/76/65/975647665.db2.gz VOMVQLMOCNEOIJ-ZIAGYGMSSA-N -1 1 321.417 3.771 20 0 DHADMM CC(C)Oc1cccc(CN[C@@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001591796767 976012290 /nfs/dbraw/zinc/01/22/90/976012290.db2.gz RZUPNNLJNMHSOO-LBPRGKRZSA-N -1 1 303.358 3.616 20 0 DHADMM CCOC(=O)/C=C/c1cccc(-c2cc(F)c([O-])cc2F)c1 ZINC001211351818 1014366830 /nfs/dbraw/zinc/36/68/30/1014366830.db2.gz DSVOXKVRDSTTKS-VOTSOKGWSA-N -1 1 304.292 3.914 20 0 DHADMM Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1c([O-])cccc1Cl ZINC000728309401 1014416935 /nfs/dbraw/zinc/41/69/35/1014416935.db2.gz WUFCTXHIJZRGEI-CYBMUJFWSA-N -1 1 317.772 3.526 20 0 DHADMM Cc1cc([N-]S(=O)(=O)c2ccccc2)ccc1-c1ccncc1 ZINC000427637959 1014462648 /nfs/dbraw/zinc/46/26/48/1014462648.db2.gz RSYSWANWUWVLLY-UHFFFAOYSA-N -1 1 324.405 3.858 20 0 DHADMM Cc1n[n-]c(=NCc2ccc(-c3ccc(C)cc3)o2)n1C1CC1 ZINC000340715755 1014482553 /nfs/dbraw/zinc/48/25/53/1014482553.db2.gz YBPBBVVXABGSDQ-UHFFFAOYSA-N -1 1 308.385 3.524 20 0 DHADMM C[C@@H](CN(Cc1ccc(F)c(Cl)c1Cl)C1CC1)C(=O)[O-] ZINC001592598595 978531413 /nfs/dbraw/zinc/53/14/13/978531413.db2.gz GWBPMJCQBVSQIO-QMMMGPOBSA-N -1 1 320.191 3.818 20 0 DHADMM Cc1nc(SCc2cccnc2C(F)(F)F)[n-]c(=O)c1C ZINC000629170730 1014504292 /nfs/dbraw/zinc/50/42/92/1014504292.db2.gz XPXQOLDGIWVHCC-UHFFFAOYSA-N -1 1 315.320 3.505 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN(C)[C@@H](C)c1ccc(F)cc1 ZINC000830355202 979016931 /nfs/dbraw/zinc/01/69/31/979016931.db2.gz BYTXZHXNIFXOTE-NSHDSACASA-N -1 1 305.349 3.872 20 0 DHADMM O=C(Nc1cnccc1-c1ccccc1)c1ccc([O-])cc1F ZINC000684172257 1014644071 /nfs/dbraw/zinc/64/40/71/1014644071.db2.gz YXUJOTGNDGVCKJ-UHFFFAOYSA-N -1 1 308.312 3.846 20 0 DHADMM O=C([O-])CC[C@H]1CCCN(Cc2ccc(C(F)(F)F)s2)C1 ZINC000901553463 980379347 /nfs/dbraw/zinc/37/93/47/980379347.db2.gz VGZZRCWNDKFBQS-SNVBAGLBSA-N -1 1 321.364 3.844 20 0 DHADMM CC[C@H](NCc1cc(C)c(C(=O)[O-])[nH]1)c1ccc(F)cc1F ZINC001595298748 980420586 /nfs/dbraw/zinc/42/05/86/980420586.db2.gz BAUYPOCIIYMRLC-AWEZNQCLSA-N -1 1 308.328 3.540 20 0 DHADMM Cc1cc(CN[C@@H](C)c2ccc(OC(C)C)cc2)oc1C(=O)[O-] ZINC000902176548 980769539 /nfs/dbraw/zinc/76/95/39/980769539.db2.gz LSLRAARAFFYVFH-ZDUSSCGKSA-N -1 1 317.385 3.924 20 0 DHADMM CC(C)[C@H](NCc1cccc(C(=O)[O-])n1)c1ccccc1Cl ZINC000902269416 980810174 /nfs/dbraw/zinc/81/01/74/980810174.db2.gz KUCGAUZEYZPTHM-INIZCTEOSA-N -1 1 318.804 3.920 20 0 DHADMM COc1ccccc1[C@H](CC(C)C)NCc1ccoc1C(=O)[O-] ZINC000902388185 980866802 /nfs/dbraw/zinc/86/68/02/980866802.db2.gz VCPYIKDXEMCERL-HNNXBMFYSA-N -1 1 317.385 3.863 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CN[C@@H]1CCCc2ccc(F)cc21 ZINC000902445136 980891493 /nfs/dbraw/zinc/89/14/93/980891493.db2.gz NEZRQPZQSVZDTB-OAHLLOKOSA-N -1 1 303.333 3.593 20 0 DHADMM O=C([O-])c1cc(CNCc2csc(C(F)(F)F)c2)cs1 ZINC000902447177 980892039 /nfs/dbraw/zinc/89/20/39/980892039.db2.gz ZGYFOLGVTYKJFE-UHFFFAOYSA-N -1 1 321.345 3.816 20 0 DHADMM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1CCC(F)CC1 ZINC000903607983 980988515 /nfs/dbraw/zinc/98/85/15/980988515.db2.gz POIAXBBAUABQLX-LBPRGKRZSA-N -1 1 306.164 3.553 20 0 DHADMM O=C([O-])[C@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](CF)C1 ZINC000903607873 980988675 /nfs/dbraw/zinc/98/86/75/980988675.db2.gz NQURHMRAFSJWHG-ZANVPECISA-N -1 1 320.191 3.801 20 0 DHADMM CC[C@@H](NCc1ccc(C(=O)[O-])cn1)c1cccc(Cl)c1 ZINC000905720230 981122527 /nfs/dbraw/zinc/12/25/27/981122527.db2.gz ZRLIHZDYKDAZLW-OAHLLOKOSA-N -1 1 304.777 3.674 20 0 DHADMM CC(C)(C)c1coc(CN[C@@H]2CCC[C@@H](CCCC(=O)[O-])C2)n1 ZINC000905790435 981151692 /nfs/dbraw/zinc/15/16/92/981151692.db2.gz SRDIVQRPJNKIOC-UONOGXRCSA-N -1 1 322.449 3.875 20 0 DHADMM COc1cc(C(=O)N(C)[C@@H]2CCC[C@@H](C)C2)cc(Cl)c1[O-] ZINC000442858349 1014750086 /nfs/dbraw/zinc/75/00/86/1014750086.db2.gz RUZIYCXRFOGAIG-ZYHUDNBSSA-N -1 1 311.809 3.705 20 0 DHADMM COc1cc(C(=O)NC[C@H]2CCCC[C@@H]2C)cc(Cl)c1[O-] ZINC000442952800 1014775398 /nfs/dbraw/zinc/77/53/98/1014775398.db2.gz UHTPJJZTNMDJJM-WDEREUQCSA-N -1 1 311.809 3.610 20 0 DHADMM COc1cc(C(=O)N2CCC[C@@H]2C(C)(C)C)cc(Cl)c1[O-] ZINC000442962216 1014779888 /nfs/dbraw/zinc/77/98/88/1014779888.db2.gz CPJFQYRPVCCMRW-CYBMUJFWSA-N -1 1 311.809 3.705 20 0 DHADMM COc1cc(C(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)cc(Cl)c1[O-] ZINC000443122624 1014820513 /nfs/dbraw/zinc/82/05/13/1014820513.db2.gz ZZSQMYAETNTENS-VHRBIJSZSA-N -1 1 323.820 3.705 20 0 DHADMM C[C@@H](CN(C)Cc1nc2c(s1)C(C)(C)CC(C)(C)C2)C(=O)[O-] ZINC000923249404 982853208 /nfs/dbraw/zinc/85/32/08/982853208.db2.gz WFJYCSZCLBREKQ-NSHDSACASA-N -1 1 324.490 3.546 20 0 DHADMM Cc1nc(SCc2cncc(Cl)c2)[n-]c(=O)c1C1CC1 ZINC000631023211 1014916012 /nfs/dbraw/zinc/91/60/12/1014916012.db2.gz MAEBCOFFWMILFR-UHFFFAOYSA-N -1 1 307.806 3.709 20 0 DHADMM C[C@@H]1CC[C@H](CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC001626758596 1014954799 /nfs/dbraw/zinc/95/47/99/1014954799.db2.gz IVTOAJKKDRUEAM-ZJUUUORDSA-N -1 1 301.308 3.577 20 0 DHADMM Cc1ccc(SCC(=O)Nc2c([O-])cccc2F)c(C)c1 ZINC000608365586 1014960890 /nfs/dbraw/zinc/96/08/90/1014960890.db2.gz GZDLOKOTEQHTFV-UHFFFAOYSA-N -1 1 305.374 3.879 20 0 DHADMM CCN(CCc1cccs1)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001596351483 983809176 /nfs/dbraw/zinc/80/91/76/983809176.db2.gz DBYOIMCJQGEDAI-JTQLQIEISA-N -1 1 310.444 3.528 20 0 DHADMM CC[N@@H+](CCc1cccs1)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001596351483 983809172 /nfs/dbraw/zinc/80/91/72/983809172.db2.gz DBYOIMCJQGEDAI-JTQLQIEISA-N -1 1 310.444 3.528 20 0 DHADMM O=C(Nc1ccc(F)c(C2CC2)c1)c1c(F)ccc([O-])c1F ZINC000581634896 1015100345 /nfs/dbraw/zinc/10/03/45/1015100345.db2.gz KCANJCFTTQUVLY-UHFFFAOYSA-N -1 1 307.271 3.939 20 0 DHADMM C[C@H](NC(=O)c1c([O-])cccc1Cl)c1ccc(F)cc1F ZINC000142884518 1015115358 /nfs/dbraw/zinc/11/53/58/1015115358.db2.gz LKFIYRWUHOTISU-QMMMGPOBSA-N -1 1 311.715 3.815 20 0 DHADMM CC[C@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C[C@H](CC)O1 ZINC000398763574 1015130920 /nfs/dbraw/zinc/13/09/20/1015130920.db2.gz FVESFRNKDIIKSR-HOTGVXAUSA-N -1 1 313.397 3.575 20 0 DHADMM O=C([O-])[C@@H](c1c(F)cccc1Cl)[N@H+]1CCC[C@H](CCF)C1 ZINC000656764301 1015133559 /nfs/dbraw/zinc/13/35/59/1015133559.db2.gz XBVUMQYOSNBSBS-QMTHXVAHSA-N -1 1 317.763 3.676 20 0 DHADMM CCOc1ccc2nc(S[C@@H](CC(C)C)C(=O)[O-])[nH]c2c1 ZINC001597145953 986908253 /nfs/dbraw/zinc/90/82/53/986908253.db2.gz PRPJNHPHXZGCQS-ZDUSSCGKSA-N -1 1 308.403 3.553 20 0 DHADMM CCOc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001597155265 986948388 /nfs/dbraw/zinc/94/83/88/986948388.db2.gz KFKSDCLYZVARGM-MRXNPFEDSA-N -1 1 319.788 3.654 20 0 DHADMM O=C(Cc1ccc(Cl)c(F)c1)Nc1cc([O-])c(F)cc1F ZINC001141833984 1015264794 /nfs/dbraw/zinc/26/47/94/1015264794.db2.gz QKSUQTSFDICGFK-UHFFFAOYSA-N -1 1 315.678 3.644 20 0 DHADMM CC[C@@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1ccccc1F ZINC001597291754 987381347 /nfs/dbraw/zinc/38/13/47/987381347.db2.gz VTYQRVYMBZFQLD-HZPDHXFCSA-N -1 1 305.324 3.831 20 0 DHADMM CCc1[nH]c(CN2CCC[C@@H]2c2ccsc2)cc1C(=O)[O-] ZINC001597386249 987602954 /nfs/dbraw/zinc/60/29/54/987602954.db2.gz HDRVYXGVIMBTRL-OAHLLOKOSA-N -1 1 304.415 3.674 20 0 DHADMM CCc1[nH]c(CNCc2cc(C3CC3)ccc2F)cc1C(=O)[O-] ZINC001597395584 987648486 /nfs/dbraw/zinc/64/84/86/987648486.db2.gz WOPUNXFOSCPMMM-UHFFFAOYSA-N -1 1 316.376 3.582 20 0 DHADMM CCc1ccc(-c2n[nH]c(S[C@@H](CC(C)C)C(=O)[O-])n2)cc1 ZINC001597492644 988030545 /nfs/dbraw/zinc/03/05/45/988030545.db2.gz XORRBQYFRGQALS-ZDUSSCGKSA-N -1 1 319.430 3.626 20 0 DHADMM CCc1ccc([C@@H](C)NCc2nc3cc(C(=O)[O-])ccc3[nH]2)cc1 ZINC001597562557 988307796 /nfs/dbraw/zinc/30/77/96/988307796.db2.gz HUDDCZATOSKHJJ-GFCCVEGCSA-N -1 1 323.396 3.674 20 0 DHADMM Cc1c(F)cccc1-c1ccc(C[N-]c2nnc(C(F)F)o2)o1 ZINC000346075019 1015378640 /nfs/dbraw/zinc/37/86/40/1015378640.db2.gz PFTSLXFRDPFUBU-UHFFFAOYSA-N -1 1 323.274 4.327 20 0 DHADMM CCc1ccc2c(c1)CN(Cc1ccsc1C(=O)[O-])CC2 ZINC001597569558 988336554 /nfs/dbraw/zinc/33/65/54/988336554.db2.gz XAGDBLKYENCIRC-UHFFFAOYSA-N -1 1 301.411 3.567 20 0 DHADMM CCc1noc(CC)c1CN[C@H](C)c1ccc(C(=O)[O-])cc1C ZINC001597748331 989131141 /nfs/dbraw/zinc/13/11/41/989131141.db2.gz HWULGWWYKQEDQP-GFCCVEGCSA-N -1 1 316.401 3.657 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN1C[C@@H](C)C[C@H]1c1cccnc1 ZINC001597762650 989198934 /nfs/dbraw/zinc/19/89/34/989198934.db2.gz IHCZVJAYVAPGNI-WFASDCNBSA-N -1 1 314.385 3.518 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN1CC[C@@](F)(c2ccccc2)C1 ZINC001597763185 989203516 /nfs/dbraw/zinc/20/35/16/989203516.db2.gz QVUKVIZIETZNCY-SFHVURJKSA-N -1 1 317.360 3.611 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN[C@@]1(c2ccccc2)CC1(C)C ZINC001597767206 989218936 /nfs/dbraw/zinc/21/89/36/989218936.db2.gz HPZPKGJINJVTTF-LJQANCHMSA-N -1 1 313.397 3.955 20 0 DHADMM CCc1oc(CN2C[C@@H](C)C[C@H]2c2cccnc2)cc1C(=O)[O-] ZINC001597797378 989361274 /nfs/dbraw/zinc/36/12/74/989361274.db2.gz ZYJMZUIIDSFEFQ-LRDDRELGSA-N -1 1 314.385 3.518 20 0 DHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC[C@@H]1C1CCC1 ZINC000896146546 1015474249 /nfs/dbraw/zinc/47/42/49/1015474249.db2.gz QKZJHKYVJYDGCB-QGZVFWFLSA-N -1 1 311.381 3.656 20 0 DHADMM CC(C)(Cc1nc(-c2ccc([O-])cc2F)no1)CC(F)F ZINC000896217175 1015509442 /nfs/dbraw/zinc/50/94/42/1015509442.db2.gz BZKFBTYRMUYZRD-UHFFFAOYSA-N -1 1 300.280 3.805 20 0 DHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N(CC1CC1)CC1CC1 ZINC000896401542 1015572153 /nfs/dbraw/zinc/57/21/53/1015572153.db2.gz ZPBBWOLIYBUCDV-UHFFFAOYSA-N -1 1 311.381 3.513 20 0 DHADMM COc1ccc(-c2noc([N-][C@H]3CCCc4cccnc43)n2)cc1 ZINC000896418634 1015579258 /nfs/dbraw/zinc/57/92/58/1015579258.db2.gz FUUMQELPBQDXDT-HNNXBMFYSA-N -1 1 322.368 3.630 20 0 DHADMM CC(C)C[C@@H]1CCCN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)C1 ZINC001591207574 992042498 /nfs/dbraw/zinc/04/24/98/992042498.db2.gz RFZPTEGVHUKJOL-ZDUSSCGKSA-N -1 1 315.417 3.519 20 0 DHADMM CN(Cc1cc(C(=O)[O-])no1)Cc1ccccc1-c1ccccc1 ZINC001598506881 992514853 /nfs/dbraw/zinc/51/48/53/992514853.db2.gz LSECMUPHGIPIEO-UHFFFAOYSA-N -1 1 322.364 3.672 20 0 DHADMM COc1ccc(CO)cc1Nc1ccc(Cl)c(Cl)c1[O-] ZINC001211529241 1015788010 /nfs/dbraw/zinc/78/80/10/1015788010.db2.gz OXWCOSNQIHQNFY-UHFFFAOYSA-N -1 1 314.168 3.944 20 0 DHADMM [O-]c1cccc(CN[C@@H](c2nccs2)C(F)(F)F)c1Cl ZINC000628372609 1015795882 /nfs/dbraw/zinc/79/58/82/1015795882.db2.gz DIHRJCLXZJEABJ-JTQLQIEISA-N -1 1 322.739 3.895 20 0 DHADMM CC[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001211889452 1015800442 /nfs/dbraw/zinc/80/04/42/1015800442.db2.gz BYSRGFIYRGKSOW-QWRGUYRKSA-N -1 1 319.829 3.584 20 0 DHADMM CC(C)[C@H](CNC(=O)c1c(F)ccc([O-])c1F)c1ccccc1 ZINC000280879689 1015805534 /nfs/dbraw/zinc/80/55/34/1015805534.db2.gz YOETUDZCDMGLOP-ZDUSSCGKSA-N -1 1 319.351 3.840 20 0 DHADMM CCOc1cc(C(=O)N[C@@H]2C[C@@]2(C)C(C)C)cc(Cl)c1[O-] ZINC000458162875 1015808515 /nfs/dbraw/zinc/80/85/15/1015808515.db2.gz YHVGBPVALJJMAJ-CJNGLKHVSA-N -1 1 311.809 3.609 20 0 DHADMM C[C@@H](N[C@H](C)c1ccc2c(c1)CCCO2)c1cc(C(=O)[O-])co1 ZINC001593195695 994149315 /nfs/dbraw/zinc/14/93/15/994149315.db2.gz DQWLAIHXSWPUNZ-VXGBXAGGSA-N -1 1 315.369 3.715 20 0 DHADMM C[C@@H](N[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl)c1ccc[nH]1 ZINC001593195625 994149365 /nfs/dbraw/zinc/14/93/65/994149365.db2.gz SAEALCMTMADMED-AMIZOPFISA-N -1 1 313.184 3.798 20 0 DHADMM COc1ccc2nc(SC[C@@H]3CCCC[C@@H]3C(=O)[O-])[nH]c2c1 ZINC001599635014 994273891 /nfs/dbraw/zinc/27/38/91/994273891.db2.gz MCEJLERWPLAKKV-JQWIXIFHSA-N -1 1 320.414 3.555 20 0 DHADMM C[C@@H](N[C@H]1CCCc2ccc(C(=O)[O-])cc21)c1ccns1 ZINC001593219011 994293066 /nfs/dbraw/zinc/29/30/66/994293066.db2.gz LNRFPNHVPXXNBU-YGRLFVJLSA-N -1 1 302.399 3.570 20 0 DHADMM C[C@H](N[C@H]1CCCc2ccc(C(=O)[O-])cc21)c1ccns1 ZINC001593219002 994293094 /nfs/dbraw/zinc/29/30/94/994293094.db2.gz LNRFPNHVPXXNBU-HZMBPMFUSA-N -1 1 302.399 3.570 20 0 DHADMM C[C@@H](N[C@H]1CCSc2ccccc21)c1cc(C(=O)[O-])co1 ZINC001593231308 994372229 /nfs/dbraw/zinc/37/22/29/994372229.db2.gz JEKARSAJEHRXSM-MFKMUULPSA-N -1 1 303.383 3.866 20 0 DHADMM C[C@H](NCCSC1CCCCC1)c1ncc(C(=O)[O-])s1 ZINC001593270872 994597907 /nfs/dbraw/zinc/59/79/07/994597907.db2.gz AKNDZCKXVNWSII-JTQLQIEISA-N -1 1 314.476 3.558 20 0 DHADMM C[C@H](NCc1ccc(C(F)(F)F)cc1)c1cc(C(=O)[O-])co1 ZINC001593297649 994704963 /nfs/dbraw/zinc/70/49/63/994704963.db2.gz XSZOHCJRDWQJAA-VIFPVBQESA-N -1 1 313.275 3.847 20 0 DHADMM C[C@H](N[C@@H]1CCCc2ccc(F)cc21)c1cc(C(=O)[O-])co1 ZINC001593354513 994993092 /nfs/dbraw/zinc/99/30/92/994993092.db2.gz SCCBXUOYGFENSZ-ZUZCIYMTSA-N -1 1 303.333 3.845 20 0 DHADMM C[C@@H](Oc1ccccc1CN(C)[C@@H](C)c1cccs1)C(=O)[O-] ZINC001593644269 995958064 /nfs/dbraw/zinc/95/80/64/995958064.db2.gz GWPJYHFXGOGMBV-QWHCGFSZSA-N -1 1 319.426 3.793 20 0 DHADMM CC[C@@H](Cc1ccccc1-c1cc(C(F)(F)F)n[nH]1)C(=O)[O-] ZINC000657203381 1016031991 /nfs/dbraw/zinc/03/19/91/1016031991.db2.gz SROMILOZSBMOCG-VIFPVBQESA-N -1 1 312.291 3.749 20 0 DHADMM Cc1cc2cc([N-]S(=O)(=O)c3cccc(C)c3)ccc2[nH]1 ZINC000046071559 1032137989 /nfs/dbraw/zinc/13/79/89/1032137989.db2.gz DFRZJMFQDVRYEB-UHFFFAOYSA-N -1 1 300.383 3.586 20 0 DHADMM COc1ccc(Cl)c2c1CCC[C@@H]2N(C)C/C=C(\C)C(=O)[O-] ZINC001599577061 998461809 /nfs/dbraw/zinc/46/18/09/998461809.db2.gz DSSNORDXTQAGIK-MARXPDLDSA-N -1 1 323.820 3.689 20 0 DHADMM C[C@H]1C[C@H](C(F)(F)F)CCN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC001594215232 998828338 /nfs/dbraw/zinc/82/83/38/998828338.db2.gz QQZYFZPCSKJJNT-GXSJLCMTSA-N -1 1 319.298 3.687 20 0 DHADMM C[C@@H]1C[C@@H](c2cccnc2)N(Cc2ccc(C(=O)[O-])c(F)c2)C1 ZINC001594272700 999056132 /nfs/dbraw/zinc/05/61/32/999056132.db2.gz TVLQOVXVHLNKDH-PXAZEXFGSA-N -1 1 314.360 3.502 20 0 DHADMM C[C@@H]1CC[C@@H](c2ccccc2)N(Cc2nc(C(=O)[O-])cs2)C1 ZINC001594330041 999268268 /nfs/dbraw/zinc/26/82/68/999268268.db2.gz IANXCRVQIUXAIQ-DOMZBBRYSA-N -1 1 316.426 3.815 20 0 DHADMM CCC[C@@H](C)CCC[N@H+]1CCC[C@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934269156 1016341488 /nfs/dbraw/zinc/34/14/88/1016341488.db2.gz DUMDCWHTGGMDCL-KGLIPLIRSA-N -1 1 307.438 3.544 20 0 DHADMM O=C(CO[C@@H]1CCCc2ccccc21)Nc1c([O-])cccc1F ZINC000684749884 1016364186 /nfs/dbraw/zinc/36/41/86/1016364186.db2.gz GFKMEVYCLBEHMW-MRXNPFEDSA-N -1 1 315.344 3.564 20 0 DHADMM O=C(Nc1ccc(OC2CCC2)c(F)c1)c1cc(F)ccc1[O-] ZINC000622412981 1016396810 /nfs/dbraw/zinc/39/68/10/1016396810.db2.gz ADJNJKHPZWJXLV-UHFFFAOYSA-N -1 1 319.307 3.854 20 0 DHADMM Cc1oc(C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)cc1C(=O)[O-] ZINC000563282131 1016499516 /nfs/dbraw/zinc/49/95/16/1016499516.db2.gz FPDBXCRTYMKOHE-ZNFPLGDCSA-N -1 1 311.381 3.964 20 0 DHADMM CC1(C)CCC[C@@H]([N-]S(=O)(=O)c2sccc2Cl)C1 ZINC001211542694 1016627422 /nfs/dbraw/zinc/62/74/22/1016627422.db2.gz HGCZLUTZGJLJBJ-SECBINFHSA-N -1 1 307.868 3.649 20 0 DHADMM CC1(C)CCC[C@@H]([N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC001211544065 1016681731 /nfs/dbraw/zinc/68/17/31/1016681731.db2.gz RRUZWEZRDIJGLB-CYBMUJFWSA-N -1 1 307.415 3.680 20 0 DHADMM CN(CC1CCCC1)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684871525 1016754853 /nfs/dbraw/zinc/75/48/53/1016754853.db2.gz DUULHLBRKNAAIM-UHFFFAOYSA-N -1 1 301.308 3.673 20 0 DHADMM COCC[C@@H]1CCCCN1Cc1cc(Cl)c([O-])cc1F ZINC001238147697 1016769630 /nfs/dbraw/zinc/76/96/30/1016769630.db2.gz AHZUKLGFMWNNEJ-LBPRGKRZSA-N -1 1 301.789 3.576 20 0 DHADMM COc1ccc2cc([C@H](C)C(=O)[N-]OC(C)(C)C)ccc2c1 ZINC000126054164 1032185164 /nfs/dbraw/zinc/18/51/64/1032185164.db2.gz ATUPMRZJGVVNKD-LBPRGKRZSA-N -1 1 301.386 3.798 20 0 DHADMM C[C@H]1SCCN(C(=O)c2ccc3ccccc3c2[O-])[C@@H]1C ZINC000118287893 1032241566 /nfs/dbraw/zinc/24/15/66/1032241566.db2.gz GRVZFJVTPWIKMX-VXGBXAGGSA-N -1 1 301.411 3.511 20 0 DHADMM C[C@@H]1CC[C@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)[C@H](C)C1 ZINC001146812298 1032249963 /nfs/dbraw/zinc/24/99/63/1032249963.db2.gz FXNNKMDLTHXAQJ-BREBYQMCSA-N -1 1 315.335 3.966 20 0 DHADMM CSc1cc(C)nc(SC)c1[N-]C(=O)c1ccc(C)nc1 ZINC001147156436 1032282147 /nfs/dbraw/zinc/28/21/47/1032282147.db2.gz PDNKHLFSBFBDNC-UHFFFAOYSA-N -1 1 319.455 3.790 20 0 DHADMM O=C(N[C@@H](CCc1ccccc1)C(F)F)c1ccc([O-])cc1F ZINC001147485084 1032319107 /nfs/dbraw/zinc/31/91/07/1032319107.db2.gz FIWUHGMOOQLSQM-HNNXBMFYSA-N -1 1 323.314 3.528 20 0 DHADMM C[C@H]1CCN(C(=O)c2ccc(F)c([O-])c2)[C@@H](c2ccco2)C1 ZINC001147922204 1032352275 /nfs/dbraw/zinc/35/22/75/1032352275.db2.gz ILRIKJKSMLMQEK-SMDDNHRTSA-N -1 1 303.333 3.738 20 0 DHADMM C[C@@H]1CCN(C(=O)c2ccc(F)c([O-])c2)[C@@H](c2ccco2)C1 ZINC001147922197 1032352651 /nfs/dbraw/zinc/35/26/51/1032352651.db2.gz ILRIKJKSMLMQEK-BXUZGUMPSA-N -1 1 303.333 3.738 20 0 DHADMM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1cccc([O-])c1F ZINC001147923230 1032352967 /nfs/dbraw/zinc/35/29/67/1032352967.db2.gz MDHCAGDKAFPONY-HNNXBMFYSA-N -1 1 319.351 3.668 20 0 DHADMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)c1ccccc1C1CC1 ZINC001148474033 1032404560 /nfs/dbraw/zinc/40/45/60/1032404560.db2.gz BBRCXZCRNXTZDX-UHFFFAOYSA-N -1 1 319.364 3.708 20 0 DHADMM C[C@]1(F)CCCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC001148795148 1032446410 /nfs/dbraw/zinc/44/64/10/1032446410.db2.gz WIRQCKSMGXYGOH-AWEZNQCLSA-N -1 1 319.298 3.765 20 0 DHADMM O=c1[nH]cc(-c2nc(-c3ccc([O-])cc3F)no2)c2ccccc12 ZINC000350611365 1017310615 /nfs/dbraw/zinc/31/06/15/1017310615.db2.gz NMONNNAEEBARBW-UHFFFAOYSA-N -1 1 323.283 3.502 20 0 DHADMM C[C@@H]1CCCN(Cc2cnc(-c3ccsc3)s2)[C@H]1C(=O)[O-] ZINC000424417358 1012019999 /nfs/dbraw/zinc/01/99/99/1012019999.db2.gz LRAOARUSIWLUAE-ZWNOBZJWSA-N -1 1 322.455 3.557 20 0 DHADMM CCc1cc(=O)[nH]c(C[N@@H+]2CC(C)(C)C[C@H]2c2ccccc2)n1 ZINC001171407026 1032597847 /nfs/dbraw/zinc/59/78/47/1032597847.db2.gz JECFDZPMELULGE-INIZCTEOSA-N -1 1 311.429 3.718 20 0 DHADMM CCCN(CC(F)(F)F)C(=O)c1cc2ccccc2cc1[O-] ZINC000314568720 1012302534 /nfs/dbraw/zinc/30/25/34/1012302534.db2.gz DWSDCKCBXDQSTD-UHFFFAOYSA-N -1 1 311.303 3.960 20 0 DHADMM CC(C)[C@H](O)[C@H]([N-]c1nc(C2CCC2)no1)c1ccccc1 ZINC000664533540 1012697109 /nfs/dbraw/zinc/69/71/09/1012697109.db2.gz UHFRQQLOJLVRMA-CABCVRRESA-N -1 1 301.390 3.507 20 0 DHADMM COc1cc(NC(=O)c2cncc([O-])c2)c(C2CC2)cc1Cl ZINC000655385158 1012747856 /nfs/dbraw/zinc/74/78/56/1012747856.db2.gz LKLWUUZGQLSDTP-UHFFFAOYSA-N -1 1 318.760 3.579 20 0 DHADMM C[C@@H]1CCN(Cc2c(Cl)cccc2Cl)C[C@@H]1C(=O)[O-] ZINC000516768973 1012827485 /nfs/dbraw/zinc/82/74/85/1012827485.db2.gz KADBMCKDBFPVBM-ZJUUUORDSA-N -1 1 302.201 3.536 20 0 DHADMM CCOC(=O)c1cnc(C(C)=Cc2ccccc2Cl)[n-]c1=O ZINC000347490758 1017113258 /nfs/dbraw/zinc/11/32/58/1017113258.db2.gz SMJKHMHLMLHVHJ-NTMALXAHSA-N -1 1 318.760 3.573 20 0 DHADMM CC[C@@H](C(=O)Nc1c([O-])cccc1F)c1ccc(OC)cc1 ZINC000684977129 1017150606 /nfs/dbraw/zinc/15/06/06/1017150606.db2.gz PIBQAORJCFODMB-CYBMUJFWSA-N -1 1 303.333 3.672 20 0 DHADMM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1c(O)cccc1F ZINC000185870268 1017463816 /nfs/dbraw/zinc/46/38/16/1017463816.db2.gz BFXNYQGRYSXZRL-UHFFFAOYSA-N -1 1 316.115 3.796 20 0 DHADMM CCc1cnc(NCc2cccc(Br)c2[O-])s1 ZINC000185964020 1017586940 /nfs/dbraw/zinc/58/69/40/1017586940.db2.gz VTGOVEHCWSUJTQ-UHFFFAOYSA-N -1 1 313.220 3.786 20 0 DHADMM Cc1cccc([C@H](C)C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000523525715 1017723040 /nfs/dbraw/zinc/72/30/40/1017723040.db2.gz CKPUKZZMQORMNI-ZDUSSCGKSA-N -1 1 321.380 3.833 20 0 DHADMM Cc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)c(O)c1 ZINC000445446068 1017865886 /nfs/dbraw/zinc/86/58/86/1017865886.db2.gz KVXQSNXKOILHRA-UHFFFAOYSA-N -1 1 302.717 3.777 20 0 DHADMM [O-]c1ccc(-c2noc(COc3cccc(Cl)c3)n2)cc1F ZINC000445478770 1017874674 /nfs/dbraw/zinc/87/46/74/1017874674.db2.gz DPRGNBJEBVJQJN-UHFFFAOYSA-N -1 1 320.707 3.814 20 0 DHADMM [O-]c1ccc(-c2noc(CCSc3ccccc3)n2)cc1F ZINC000445478557 1017876782 /nfs/dbraw/zinc/87/67/82/1017876782.db2.gz HFBGHZNZQSFQDS-UHFFFAOYSA-N -1 1 316.357 3.916 20 0 DHADMM CCc1ccccc1OCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445484537 1017878292 /nfs/dbraw/zinc/87/82/92/1017878292.db2.gz ZTZFSVBGWODIPP-UHFFFAOYSA-N -1 1 314.316 3.723 20 0 DHADMM [O-]c1ccc(-c2noc(/C=C\c3nc4ccccc4o3)n2)cc1F ZINC000445483668 1017879175 /nfs/dbraw/zinc/87/91/75/1017879175.db2.gz UMUHBCDXFLYGDR-FPLPWBNLSA-N -1 1 323.283 3.893 20 0 DHADMM Cc1ccc(Oc2ccccc2[N-]S(=O)(=O)C2CC2)cc1 ZINC000524471613 1018005390 /nfs/dbraw/zinc/00/53/90/1018005390.db2.gz YEOBXWCOJVTXSC-UHFFFAOYSA-N -1 1 303.383 3.691 20 0 DHADMM CSCc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000184035066 1018055842 /nfs/dbraw/zinc/05/58/42/1018055842.db2.gz RMUSHUXMMRBNRQ-UHFFFAOYSA-N -1 1 321.467 3.967 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H](c2nccs2)C1 ZINC000114630644 1018109089 /nfs/dbraw/zinc/10/90/89/1018109089.db2.gz GTZUNDWKBFGQAU-SNVBAGLBSA-N -1 1 322.817 3.522 20 0 DHADMM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2ncccc2[O-])cc1 ZINC000427465861 1018155260 /nfs/dbraw/zinc/15/52/60/1018155260.db2.gz JLMOHHIZMAEZTA-RDTXWAMCSA-N -1 1 310.397 3.709 20 0 DHADMM CCCCCC[C@H](C)CC(=O)Nc1ncc(C(=O)OCC)[n-]1 ZINC001128846542 1018156393 /nfs/dbraw/zinc/15/63/93/1018156393.db2.gz BLXAJVZKFIRIDH-LBPRGKRZSA-N -1 1 309.410 3.522 20 0 DHADMM CCCCCC[C@H](C)CC(=O)Nc1nc(C(=O)OCC)c[n-]1 ZINC001128846542 1018156401 /nfs/dbraw/zinc/15/64/01/1018156401.db2.gz BLXAJVZKFIRIDH-LBPRGKRZSA-N -1 1 309.410 3.522 20 0 DHADMM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(C)nc1C ZINC000674847432 1018161445 /nfs/dbraw/zinc/16/14/45/1018161445.db2.gz OYRZZOKSFJTBGG-UHFFFAOYSA-N -1 1 318.442 3.624 20 0 DHADMM O=C(CCCc1ccc(F)c(F)c1)Nc1c([O-])cccc1F ZINC000674850638 1018161783 /nfs/dbraw/zinc/16/17/83/1018161783.db2.gz JDYXYAFRFGDJAQ-UHFFFAOYSA-N -1 1 309.287 3.771 20 0 DHADMM CC(C)C[C@H](C)OCCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000278136774 1018195008 /nfs/dbraw/zinc/19/50/08/1018195008.db2.gz KTKNWHSUCZQLRH-NSHDSACASA-N -1 1 308.353 3.575 20 0 DHADMM O=C([N-]Oc1ccccc1F)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000874912849 1032758969 /nfs/dbraw/zinc/75/89/69/1032758969.db2.gz UAXVCAQRSKPDSO-VHSXEESVSA-N -1 1 305.271 3.604 20 0 DHADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1cccc(O)c1 ZINC000383448296 1018405431 /nfs/dbraw/zinc/40/54/31/1018405431.db2.gz BIGZSEMXUDKNKQ-LBPRGKRZSA-N -1 1 307.349 3.742 20 0 DHADMM CCCCCOc1cc(C=C2SC(=O)[N-]C2=O)ccc1OC ZINC000874928311 1032763012 /nfs/dbraw/zinc/76/30/12/1032763012.db2.gz RBRAHYDCHNMWEK-GXDHUFHOSA-N -1 1 321.398 3.588 20 0 DHADMM CC(C)[C@H]1C[C@H](Cc2nc(-c3ccc([O-])cc3F)no2)CCO1 ZINC000278304477 1018543491 /nfs/dbraw/zinc/54/34/91/1018543491.db2.gz XUUGVHPZWXXFGT-IAQYHMDHSA-N -1 1 320.364 3.575 20 0 DHADMM CC(C)(C)Oc1ccc(C(=O)Nc2cccc(F)c2[O-])cc1 ZINC001171632480 1032793886 /nfs/dbraw/zinc/79/38/86/1032793886.db2.gz CIQHZOVEPRMEPZ-UHFFFAOYSA-N -1 1 303.333 3.961 20 0 DHADMM COc1ccc(S[C@@H](C)C(=O)Nc2cccc(F)c2[O-])cc1 ZINC001171632428 1032795184 /nfs/dbraw/zinc/79/51/84/1032795184.db2.gz AETZYULERYZCCL-JTQLQIEISA-N -1 1 321.373 3.659 20 0 DHADMM C/C=C/c1ccc([N-]S(=O)(=O)c2ccc(COC)cc2)cc1 ZINC000584193814 1019011918 /nfs/dbraw/zinc/01/19/18/1019011918.db2.gz GTTPOKWLQRXCNQ-ONEGZZNKSA-N -1 1 317.410 3.667 20 0 DHADMM O=C(Nc1ccc(NC2CCCCC2)cc1)c1cncc([O-])c1 ZINC000111590626 1019042276 /nfs/dbraw/zinc/04/22/76/1019042276.db2.gz ZBGDTQOUOBMMEW-UHFFFAOYSA-N -1 1 311.385 3.784 20 0 DHADMM O=C([O-])c1coc(CN2CCC[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC000625971480 1019152733 /nfs/dbraw/zinc/15/27/33/1019152733.db2.gz ZRWPRIACABOVSJ-LBPRGKRZSA-N -1 1 321.323 3.636 20 0 DHADMM CCCOc1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000032599791 1019243418 /nfs/dbraw/zinc/24/34/18/1019243418.db2.gz LWUNZHSXWRXZRR-UHFFFAOYSA-N -1 1 305.399 3.585 20 0 DHADMM Cc1nc(-c2ccc(NC(=O)c3ccccc3[O-])cc2)oc1C ZINC000077473432 1019325426 /nfs/dbraw/zinc/32/54/26/1019325426.db2.gz WSCBNATYEXTTPS-UHFFFAOYSA-N -1 1 308.337 3.916 20 0 DHADMM O=S(=O)([N-]c1cc(F)cc(Cl)c1)c1ccc(F)c(F)c1 ZINC000477407748 1032833662 /nfs/dbraw/zinc/83/36/62/1032833662.db2.gz UTHOFUJMXSEWSG-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM C[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)CC[C@@H]1C(=O)[O-] ZINC000311510115 1019560121 /nfs/dbraw/zinc/56/01/21/1019560121.db2.gz BWYFIMDZSGXMFK-KOLCDFICSA-N -1 1 302.201 3.536 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H]1c1ccc(F)cc1 ZINC000093910788 1019593089 /nfs/dbraw/zinc/59/30/89/1019593089.db2.gz MHIJYCJQSHSBHW-OAHLLOKOSA-N -1 1 303.308 3.648 20 0 DHADMM O=C(NC[C@H]1CCCC[C@H]1C(F)(F)F)c1ccc([O-])c(F)c1 ZINC000673364848 1019824594 /nfs/dbraw/zinc/82/45/94/1019824594.db2.gz KLCWWPPVGIQGJX-GHMZBOCLSA-N -1 1 319.298 3.630 20 0 DHADMM CC[C@@H](c1ccccc1OC)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000673387269 1019851860 /nfs/dbraw/zinc/85/18/60/1019851860.db2.gz WJSKQNIXZPSLQQ-HNNXBMFYSA-N -1 1 317.360 3.763 20 0 DHADMM Cc1ccc(C)c(CN(C)C(=O)c2c(F)ccc([O-])c2F)c1 ZINC000685483648 1019868206 /nfs/dbraw/zinc/86/82/06/1019868206.db2.gz HYQFEDZUJVOOHF-UHFFFAOYSA-N -1 1 305.324 3.559 20 0 DHADMM Fc1cccc2nc([N-][C@@H](C[C@H]3CCCO3)C(F)(F)F)oc21 ZINC000624375208 1019995592 /nfs/dbraw/zinc/99/55/92/1019995592.db2.gz JMJLMKMWWRWBAF-KCJUWKMLSA-N -1 1 318.270 3.879 20 0 DHADMM CC(C)[C@H]1N(C(=O)c2ncccc2[O-])CC12CCCCCC2 ZINC001171737486 1032876677 /nfs/dbraw/zinc/87/66/77/1032876677.db2.gz NFSLFKPFXXCNBT-MRXNPFEDSA-N -1 1 302.418 3.608 20 0 DHADMM COc1cccc([C@@H](C)C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000111666063 1020149260 /nfs/dbraw/zinc/14/92/60/1020149260.db2.gz CIONJGCNAFOFOQ-SNVBAGLBSA-N -1 1 305.761 3.796 20 0 DHADMM CC(C)c1ocnc1C(=O)[N-]c1nnc(-c2ccsc2)s1 ZINC000731879536 1020161513 /nfs/dbraw/zinc/16/15/13/1020161513.db2.gz ZKXLBQBCVWCTSM-UHFFFAOYSA-N -1 1 320.399 3.630 20 0 DHADMM CC(C)c1ocnc1C(=O)[N-]c1nnc(C2CCCCC2)s1 ZINC000731965732 1020181638 /nfs/dbraw/zinc/18/16/38/1020181638.db2.gz RMYNZQDMBWDRNX-UHFFFAOYSA-N -1 1 320.418 3.950 20 0 DHADMM CCc1c(Cl)cc(Nc2ccc(CO)nc2)c([O-])c1Cl ZINC001212385657 1020212309 /nfs/dbraw/zinc/21/23/09/1020212309.db2.gz GILDJQHJRYQRRU-UHFFFAOYSA-N -1 1 313.184 3.892 20 0 DHADMM CC[C@@H](NCc1ccc(-c2nc3ccccc3s2)o1)C(=O)[O-] ZINC000647466096 1020445042 /nfs/dbraw/zinc/44/50/42/1020445042.db2.gz RKYBSXUKDJDBLU-LLVKDONJSA-N -1 1 316.382 3.509 20 0 DHADMM O=C(c1ccc([O-])cc1)C1CCN(c2nc(Cl)cs2)CC1 ZINC000858454514 1032902533 /nfs/dbraw/zinc/90/25/33/1032902533.db2.gz BTNOWKZSOARDQY-UHFFFAOYSA-N -1 1 322.817 3.601 20 0 DHADMM [O-]c1ccc(-c2noc(C3([C@H]4CCCCO4)CCC3)n2)cc1F ZINC000866975947 1020504977 /nfs/dbraw/zinc/50/49/77/1020504977.db2.gz HGCKSFMZNXVWLV-CQSZACIVSA-N -1 1 318.348 3.572 20 0 DHADMM COc1cc(/C=C2/Cc3cc([O-])ccc3C2=O)cc(Cl)c1O ZINC000187221386 1020510695 /nfs/dbraw/zinc/51/06/95/1020510695.db2.gz BZYHBGPCTNWXRD-WCIBSUBMSA-N -1 1 316.740 3.582 20 0 DHADMM CC(=O)c1cc(-c2nc(-c3ccc4sccc4c3)no2)n[n-]1 ZINC001212430002 1020511861 /nfs/dbraw/zinc/51/18/61/1020511861.db2.gz UROYUZYTBOKPSC-UHFFFAOYSA-N -1 1 310.338 3.544 20 0 DHADMM CC(=O)c1cc(-c2nc(-c3ccc4sccc4c3)no2)[n-]n1 ZINC001212430002 1020511867 /nfs/dbraw/zinc/51/18/67/1020511867.db2.gz UROYUZYTBOKPSC-UHFFFAOYSA-N -1 1 310.338 3.544 20 0 DHADMM CN(C(=O)c1cc(Cl)ccc1[O-])[C@H]1CCc2ccccc2C1 ZINC000733938462 1020533549 /nfs/dbraw/zinc/53/35/49/1020533549.db2.gz JGNDVHDVCAOPPM-HNNXBMFYSA-N -1 1 315.800 3.675 20 0 DHADMM CC(C)(CNC(=O)c1c([O-])cccc1Cl)c1cccs1 ZINC000734020237 1020546055 /nfs/dbraw/zinc/54/60/55/1020546055.db2.gz MIAZMXZLTIIIPM-UHFFFAOYSA-N -1 1 309.818 3.815 20 0 DHADMM COc1cc(Cl)ccc1-c1noc(-c2ccc([O-])cc2F)n1 ZINC000318395358 1020572431 /nfs/dbraw/zinc/57/24/31/1020572431.db2.gz HPQPWNAEMAZQHU-UHFFFAOYSA-N -1 1 320.707 3.910 20 0 DHADMM CCCCn1ncc(NC(=O)c2cc(SC)ccc2[O-])c1C ZINC000612715894 1020681162 /nfs/dbraw/zinc/68/11/62/1020681162.db2.gz FEXHGIXGOPRNNU-UHFFFAOYSA-N -1 1 319.430 3.671 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])C1(C(F)(F)F)CCCCC1 ZINC000613029329 1020782237 /nfs/dbraw/zinc/78/22/37/1020782237.db2.gz ZJCMFQUFRILLJN-UHFFFAOYSA-N -1 1 305.271 3.983 20 0 DHADMM C[C@@H]1CC[C@]2(CCN(C(=O)c3ncc4ccccc4c3[O-])C2)C1 ZINC000613396740 1020930786 /nfs/dbraw/zinc/93/07/86/1020930786.db2.gz WSQKBBCNQVPBQP-YJYMSZOUSA-N -1 1 310.397 3.593 20 0 DHADMM CC[C@H](C)c1ccccc1OS(=O)(=O)c1cnc(C(C)C)[n-]1 ZINC000741157633 1020985906 /nfs/dbraw/zinc/98/59/06/1020985906.db2.gz JMGXPFWSPQSPEI-LBPRGKRZSA-N -1 1 322.430 3.814 20 0 DHADMM CC[C@H](C)c1ccccc1OS(=O)(=O)c1c[n-]c(C(C)C)n1 ZINC000741157633 1020985911 /nfs/dbraw/zinc/98/59/11/1020985911.db2.gz JMGXPFWSPQSPEI-LBPRGKRZSA-N -1 1 322.430 3.814 20 0 DHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc2ncsc2c1 ZINC000174677354 1020993780 /nfs/dbraw/zinc/99/37/80/1020993780.db2.gz TZYHJZQNANVETA-UHFFFAOYSA-N -1 1 322.386 3.545 20 0 DHADMM CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc2ccccc2c1[O-] ZINC000318465252 1021016322 /nfs/dbraw/zinc/01/63/22/1021016322.db2.gz SRWVTGKRZAYRTR-JKSUJKDBSA-N -1 1 315.438 3.949 20 0 DHADMM Cc1cccc(NC(=O)Nc2nc(Br)ccc2[O-])c1 ZINC001202305546 1021194909 /nfs/dbraw/zinc/19/49/09/1021194909.db2.gz JCSHFFWVBUKOFC-UHFFFAOYSA-N -1 1 322.162 3.502 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(-c2ccccc2)[nH]n1 ZINC000067738989 1021197241 /nfs/dbraw/zinc/19/72/41/1021197241.db2.gz PTFRBKOUEMIMCT-UHFFFAOYSA-N -1 1 313.744 3.688 20 0 DHADMM O=C([N-]O[C@@H]1CCCCO1)[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000107582071 1021335069 /nfs/dbraw/zinc/33/50/69/1021335069.db2.gz SYEUZUDFWASSGQ-FGTMMUONSA-N -1 1 311.381 3.518 20 0 DHADMM CCO[C@H]1C[C@H](NC(=O)c2c([O-])cccc2Cl)C12CCCC2 ZINC000743790625 1021365799 /nfs/dbraw/zinc/36/57/99/1021365799.db2.gz CXABWFOBBMIJOF-KBPBESRZSA-N -1 1 323.820 3.513 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(Cl)cc2)c1 ZINC000744477488 1021557293 /nfs/dbraw/zinc/55/72/93/1021557293.db2.gz KXICZFCVHLXBNQ-UHFFFAOYSA-N -1 1 318.756 3.648 20 0 DHADMM O=C(c1cc(Br)ccc1[O-])N(C1CC1)C1CCCC1 ZINC000130112221 1021622075 /nfs/dbraw/zinc/62/20/75/1021622075.db2.gz VSLHXGCXXWWPFD-UHFFFAOYSA-N -1 1 324.218 3.702 20 0 DHADMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(COC)cc1 ZINC000538137362 1032991976 /nfs/dbraw/zinc/99/19/76/1032991976.db2.gz IIIBAZCGEPFJEK-UHFFFAOYSA-N -1 1 319.426 3.586 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H]2CCC[C@H](C)C2)c1 ZINC000745156816 1021668379 /nfs/dbraw/zinc/66/83/79/1021668379.db2.gz LYPZSZREZFIVFE-LRDDRELGSA-N -1 1 304.386 3.507 20 0 DHADMM [O-]c1ccc(-c2noc([C@@H]3CC34CCSCC4)n2)cc1F ZINC000556411655 1021707939 /nfs/dbraw/zinc/70/79/39/1021707939.db2.gz MTGKMXZAOMFVQI-JTQLQIEISA-N -1 1 306.362 3.582 20 0 DHADMM CCOC1(C)CCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000293622672 1022053523 /nfs/dbraw/zinc/05/35/23/1022053523.db2.gz JGARJYYSQXPHDC-UHFFFAOYSA-N -1 1 313.397 3.577 20 0 DHADMM CCCc1ccc([C@@H](NC(=O)c2cncc([O-])c2)C(C)C)cc1 ZINC001626557580 1022064733 /nfs/dbraw/zinc/06/47/33/1022064733.db2.gz FWMOOUUALCPJMQ-SFHVURJKSA-N -1 1 312.413 3.867 20 0 DHADMM Cc1ccc(C[C@H](C)C(=O)Nc2cc([O-])c(F)cc2F)cc1 ZINC001625894462 1022064944 /nfs/dbraw/zinc/06/49/44/1022064944.db2.gz YGNXHWNRBVVLHZ-NSHDSACASA-N -1 1 305.324 3.796 20 0 DHADMM Cc1cc(C)c(CNC(=O)c2c([O-])cccc2Cl)c(C)c1 ZINC000920444180 1022121231 /nfs/dbraw/zinc/12/12/31/1022121231.db2.gz AGDMGAIQFUZFDK-UHFFFAOYSA-N -1 1 303.789 3.901 20 0 DHADMM O=C(N[C@H]1CCc2cc(F)ccc21)c1c([O-])cccc1Cl ZINC000920463478 1022125030 /nfs/dbraw/zinc/12/50/30/1022125030.db2.gz QBFVVWPPKJWWAP-ZDUSSCGKSA-N -1 1 305.736 3.602 20 0 DHADMM CC[C@H](CNC(=O)c1c([O-])cccc1Cl)c1ccccc1 ZINC000920431249 1022125460 /nfs/dbraw/zinc/12/54/60/1022125460.db2.gz SVIJEMYXRFXCGM-GFCCVEGCSA-N -1 1 303.789 3.969 20 0 DHADMM CN(C[C@@H]1CCc2ccccc21)C(=O)c1cc(Cl)ccc1[O-] ZINC000620682108 1022233119 /nfs/dbraw/zinc/23/31/19/1022233119.db2.gz FHTDGCJUFPXPOK-ZDUSSCGKSA-N -1 1 315.800 3.848 20 0 DHADMM COc1ccc2c(c1Nc1ccc(Cl)c([O-])c1)C(=O)CC2 ZINC001212593759 1022512732 /nfs/dbraw/zinc/51/27/32/1022512732.db2.gz IYMSAAUNVMEXAU-UHFFFAOYSA-N -1 1 303.745 3.927 20 0 DHADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(Cl)cc1Cl ZINC000263457098 1022564600 /nfs/dbraw/zinc/56/46/00/1022564600.db2.gz AZBOTFYROHNOLX-GXSJLCMTSA-N -1 1 302.201 3.679 20 0 DHADMM CCc1cc(=O)[n-]c(SCc2cc(Cl)nc(Cl)c2)n1 ZINC000767057263 1022631046 /nfs/dbraw/zinc/63/10/46/1022631046.db2.gz JBQNAPBDCSYYHO-UHFFFAOYSA-N -1 1 316.213 3.739 20 0 DHADMM Cn1cccc1[C@@H]1CCCCCN1C(=O)c1ccc([O-])c(F)c1 ZINC000767294150 1022683237 /nfs/dbraw/zinc/68/32/37/1022683237.db2.gz RONBKUYJAVOJOA-INIZCTEOSA-N -1 1 316.376 3.627 20 0 DHADMM Nc1c(Cl)cc(NC(=O)c2ccc([O-])c(F)c2)cc1Cl ZINC000767310719 1022688163 /nfs/dbraw/zinc/68/81/63/1022688163.db2.gz BIQAWSNYYQHOQI-UHFFFAOYSA-N -1 1 315.131 3.673 20 0 DHADMM Cc1ccc(F)c(CN(C)C(=O)c2c([O-])cccc2Cl)c1 ZINC000768332980 1022948464 /nfs/dbraw/zinc/94/84/64/1022948464.db2.gz PZYMZTCRDPSWFX-UHFFFAOYSA-N -1 1 307.752 3.765 20 0 DHADMM CCc1ccc(CCC(=O)n2[n-]c(=O)c3ccc(OC)cc32)cc1 ZINC000857509003 1023024043 /nfs/dbraw/zinc/02/40/43/1023024043.db2.gz VOQSKQXONLVQDV-UHFFFAOYSA-N -1 1 324.380 3.586 20 0 DHADMM CC[C@H]1CC[C@H](C(=O)n2[n-]c(=O)c3ccc(OC)cc32)CC1 ZINC000857510201 1023025268 /nfs/dbraw/zinc/02/52/68/1023025268.db2.gz XXMYCNAMBRPLAL-HAQNSBGRSA-N -1 1 302.374 3.607 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC000617919432 1023094940 /nfs/dbraw/zinc/09/49/40/1023094940.db2.gz LHKLFTITFNUDTP-MRXNPFEDSA-N -1 1 315.344 3.882 20 0 DHADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000780365821 1023230318 /nfs/dbraw/zinc/23/03/18/1023230318.db2.gz PQRZLEVPRSVCPC-UHFFFAOYSA-N -1 1 315.316 3.873 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N(CCC(F)(F)F)CC1CC1 ZINC000769965929 1023246983 /nfs/dbraw/zinc/24/69/83/1023246983.db2.gz IUYZSBZNWPTVND-UHFFFAOYSA-N -1 1 321.726 3.850 20 0 DHADMM Cc1nc(-c2cccs2)sc1C(=O)Nc1ccncc1[O-] ZINC000109891118 1023253819 /nfs/dbraw/zinc/25/38/19/1023253819.db2.gz MUXZFQRKESWPDL-UHFFFAOYSA-N -1 1 317.395 3.533 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@H]1c1ccc(O)cc1 ZINC000769993084 1023257874 /nfs/dbraw/zinc/25/78/74/1023257874.db2.gz HHAUJEMFTPAMAN-AWEZNQCLSA-N -1 1 317.772 3.729 20 0 DHADMM Cc1cccc([C@H]2CCCN2C(=O)c2c([O-])cccc2Cl)n1 ZINC000770017615 1023263169 /nfs/dbraw/zinc/26/31/69/1023263169.db2.gz WDVPSKLSEMGAGI-CQSZACIVSA-N -1 1 316.788 3.726 20 0 DHADMM COc1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1F ZINC000770065374 1023277008 /nfs/dbraw/zinc/27/70/08/1023277008.db2.gz BOYXSDNSRJGRQW-UHFFFAOYSA-N -1 1 311.312 3.945 20 0 DHADMM CCOc1nc(C(=O)[N-]c2ccccc2SC(F)F)co1 ZINC000771948886 1023492102 /nfs/dbraw/zinc/49/21/02/1023492102.db2.gz TUUWMUBEVQQRTB-UHFFFAOYSA-N -1 1 314.313 3.640 20 0 DHADMM CSc1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000048652517 1023801775 /nfs/dbraw/zinc/80/17/75/1023801775.db2.gz AKRCKCIAFNQRJZ-UHFFFAOYSA-N -1 1 311.403 3.657 20 0 DHADMM O=C(OCc1ccc(F)cn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000787697312 1023811954 /nfs/dbraw/zinc/81/19/54/1023811954.db2.gz VUZILPNTQOUPAB-UHFFFAOYSA-N -1 1 316.115 3.590 20 0 DHADMM CC[C@H](Cc1ccccc1)[N@@H+](CC)Cc1nc(C(=O)[O-])cs1 ZINC000652428431 1023857334 /nfs/dbraw/zinc/85/73/34/1023857334.db2.gz LALCCEZYPDGIOB-CQSZACIVSA-N -1 1 318.442 3.685 20 0 DHADMM Cc1c(=O)[n-]c(SCC[C@H](O)C(C)C)nc1-c1ccccc1 ZINC000882154631 1023978769 /nfs/dbraw/zinc/97/87/69/1023978769.db2.gz UOTZIIPHQAXYJF-AWEZNQCLSA-N -1 1 318.442 3.657 20 0 DHADMM C[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)c1ccc(F)nc1 ZINC000882170424 1023984406 /nfs/dbraw/zinc/98/44/06/1023984406.db2.gz RVFJUXZBNCUYNM-LURJTMIESA-N -1 1 301.293 3.507 20 0 DHADMM Cc1nc(C(C)C)sc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790047559 1024213052 /nfs/dbraw/zinc/21/30/52/1024213052.db2.gz LBVITUTVWKBSGK-UHFFFAOYSA-N -1 1 311.794 3.581 20 0 DHADMM O=C(CCc1cc(Cl)cs1)Nc1nc(Cl)ccc1[O-] ZINC000790047536 1024214138 /nfs/dbraw/zinc/21/41/38/1024214138.db2.gz IVMGMJFOIIFYNM-UHFFFAOYSA-N -1 1 317.197 3.727 20 0 DHADMM O=C(Cc1csc2ccccc12)Nc1nc(Cl)ccc1[O-] ZINC000790050670 1024214154 /nfs/dbraw/zinc/21/41/54/1024214154.db2.gz GSAVXSINMCWCCU-UHFFFAOYSA-N -1 1 318.785 3.837 20 0 DHADMM C[C@H](C(=O)Nc1nc(Cl)ccc1[O-])c1cccc(Cl)c1 ZINC000790056431 1024215892 /nfs/dbraw/zinc/21/58/92/1024215892.db2.gz LAUINGDMEBQZMR-QMMMGPOBSA-N -1 1 311.168 3.836 20 0 DHADMM Cc1cc(C)cc([C@@H](C)NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000538834996 1033198816 /nfs/dbraw/zinc/19/88/16/1033198816.db2.gz PNIZLLANZHUTGL-LLVKDONJSA-N -1 1 305.324 3.778 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1cccc(OC(F)(F)F)c1 ZINC000531756296 1024299977 /nfs/dbraw/zinc/29/99/77/1024299977.db2.gz IRCQJZHRTUGKMH-UHFFFAOYSA-N -1 1 315.222 3.682 20 0 DHADMM Cc1c(=O)[n-]n(-c2ccccc2)c1N[C@@H](C)CCOC(C)C ZINC001172440231 1033202077 /nfs/dbraw/zinc/20/20/77/1033202077.db2.gz IRWFJSPWFOMGSD-ZDUSSCGKSA-N -1 1 303.406 3.502 20 0 DHADMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(F)ccc2Cl)s1 ZINC000644851170 1024540917 /nfs/dbraw/zinc/54/09/17/1024540917.db2.gz DJRHJDCSSDZCGU-UHFFFAOYSA-N -1 1 319.810 3.958 20 0 DHADMM CC(C)c1ccccc1OCC(=O)Nc1ccc(F)cc1[O-] ZINC000532266375 1024591230 /nfs/dbraw/zinc/59/12/30/1024591230.db2.gz UKCINFVGYHXWAV-UHFFFAOYSA-N -1 1 303.333 3.672 20 0 DHADMM CC[C@H](c1cccc(OC)c1)N(C)Cc1cc(C(=O)[O-])co1 ZINC000859803938 1033235814 /nfs/dbraw/zinc/23/58/14/1033235814.db2.gz JMGBMXUTOQBBFX-MRXNPFEDSA-N -1 1 303.358 3.570 20 0 DHADMM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2cccc(Cl)c2Cl)C1 ZINC000263316961 1024917276 /nfs/dbraw/zinc/91/72/76/1024917276.db2.gz IWFPNUOISONLGS-ONGXEEELSA-N -1 1 302.201 3.536 20 0 DHADMM O=C(NCC1CC(c2ccccc2)C1)c1ccc(Cl)cc1[O-] ZINC001625918415 1025099243 /nfs/dbraw/zinc/09/92/43/1025099243.db2.gz UPEHMBHXDWBUBO-UHFFFAOYSA-N -1 1 315.800 3.969 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC1(C)CCC(C)CC1 ZINC000794023375 1025213150 /nfs/dbraw/zinc/21/31/50/1025213150.db2.gz DIHBFYRPSIPHOH-UHFFFAOYSA-N -1 1 319.449 3.560 20 0 DHADMM CO[C@]1(C)CCCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000279908689 1025313684 /nfs/dbraw/zinc/31/36/84/1025313684.db2.gz GRTDJYWCASKORZ-LJQANCHMSA-N -1 1 313.397 3.577 20 0 DHADMM CC(C)(C)c1ncc(C(=O)Nc2cc(F)c([O-])cc2Cl)cn1 ZINC000885678272 1025381155 /nfs/dbraw/zinc/38/11/55/1025381155.db2.gz LOTKMHRPFBMOJN-UHFFFAOYSA-N -1 1 323.755 3.525 20 0 DHADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc2[nH]ccc21 ZINC000110402646 1025666549 /nfs/dbraw/zinc/66/65/49/1025666549.db2.gz MTKKWVZQKUNOGV-UHFFFAOYSA-N -1 1 320.801 3.931 20 0 DHADMM Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)c1cncc([O-])c1 ZINC000355569129 1025769244 /nfs/dbraw/zinc/76/92/44/1025769244.db2.gz PFVFQMOVCXCURQ-CQSZACIVSA-N -1 1 324.302 3.519 20 0 DHADMM CCCc1c(C)[n-]n(-c2ccc(OC(F)(F)F)cc2)c1=O ZINC000614186100 1025830343 /nfs/dbraw/zinc/83/03/43/1025830343.db2.gz VHPIGDNTSJNLLZ-LBPRGKRZSA-N -1 1 300.280 3.724 20 0 DHADMM O=S(=O)([N-]c1cccc(C(F)F)c1)c1ccc(F)c(F)c1 ZINC000195451851 1026004154 /nfs/dbraw/zinc/00/41/54/1026004154.db2.gz BQSOVZDWRHBRCT-UHFFFAOYSA-N -1 1 319.279 3.703 20 0 DHADMM CCCCO[C@H]1C[C@H](N(C)C(=O)c2ccc(F)c([O-])c2)C1(C)C ZINC001137233781 1026006720 /nfs/dbraw/zinc/00/67/20/1026006720.db2.gz BRQDYIXMAWSVKS-HOTGVXAUSA-N -1 1 323.408 3.587 20 0 DHADMM CCCc1n[n-]c(=S)n1CC(=O)Nc1cccc(C(C)C)c1 ZINC000139852601 1026056507 /nfs/dbraw/zinc/05/65/07/1026056507.db2.gz ZYWYIIGWOWLCEF-UHFFFAOYSA-N -1 1 318.446 3.655 20 0 DHADMM O=C([N-][C@@H]1CCCC1(F)F)C(F)(F)c1cccc(Cl)c1 ZINC000807853813 1026126542 /nfs/dbraw/zinc/12/65/42/1026126542.db2.gz RWYJGFPSZIPKOF-SNVBAGLBSA-N -1 1 309.690 3.736 20 0 DHADMM O=C([O-])c1ccc(Cl)c(CN2CCCC(F)(F)CC2)c1 ZINC000629367959 1026204255 /nfs/dbraw/zinc/20/42/55/1026204255.db2.gz FZILXERYAODNQY-UHFFFAOYSA-N -1 1 303.736 3.659 20 0 DHADMM Cc1[n-][nH]c(=O)c1NC(=O)CCCc1ccc2ccccc2c1 ZINC000647815702 1026510439 /nfs/dbraw/zinc/51/04/39/1026510439.db2.gz HXPVXOPDKQKVER-UHFFFAOYSA-N -1 1 309.369 3.538 20 0 DHADMM Cc1cc(F)ccc1-c1ccc(CN[C@@H](CC(C)C)C(=O)[O-])o1 ZINC000262722075 1026516071 /nfs/dbraw/zinc/51/60/71/1026516071.db2.gz WHNORNOOPVNJSB-INIZCTEOSA-N -1 1 319.376 3.983 20 0 DHADMM CCCCCCC(=O)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000809987117 1026656376 /nfs/dbraw/zinc/65/63/76/1026656376.db2.gz RSJMPWAYRHXUEL-UHFFFAOYSA-N -1 1 304.362 3.751 20 0 DHADMM COCC1(c2nc(-c3ccc([O-])cc3Cl)no2)CCCC1 ZINC000420495923 1026823189 /nfs/dbraw/zinc/82/31/89/1026823189.db2.gz XHXKCCWOLHCVLM-UHFFFAOYSA-N -1 1 308.765 3.554 20 0 DHADMM O=c1cc(CSc2nc3ccccc3[nH]2)c2ccc([O-])cc2o1 ZINC000006972162 1026949827 /nfs/dbraw/zinc/94/98/27/1026949827.db2.gz YECSCFTVJGNMGV-UHFFFAOYSA-N -1 1 324.361 3.667 20 0 DHADMM O=S(=O)(/C=C/c1ccccc1F)[N-]c1cc(C2CC2)ccn1 ZINC000811838150 1027097203 /nfs/dbraw/zinc/09/72/03/1027097203.db2.gz WBUWNPZUJMFFEO-CSKARUKUSA-N -1 1 318.373 3.511 20 0 DHADMM Cc1ccc(/C=C\S(=O)(=O)[N-]c2cc(C3CC3)ccn2)cc1 ZINC000811837936 1027098373 /nfs/dbraw/zinc/09/83/73/1027098373.db2.gz LIPOXQCRRNSGHQ-LUAWRHEFSA-N -1 1 314.410 3.680 20 0 DHADMM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)c1cc(F)ccc1[O-] ZINC000422066025 1027102396 /nfs/dbraw/zinc/10/23/96/1027102396.db2.gz MDRHDGHTHYLNLB-MRXNPFEDSA-N -1 1 313.372 3.940 20 0 DHADMM CC1(C)[C@H](c2ccccc2)CCN1C(=O)c1cc(F)ccc1[O-] ZINC000422066023 1027103196 /nfs/dbraw/zinc/10/31/96/1027103196.db2.gz MDRHDGHTHYLNLB-INIZCTEOSA-N -1 1 313.372 3.940 20 0 DHADMM C[C@@H](CCNC(=O)c1c(F)ccc([O-])c1F)c1ccccc1 ZINC000571923732 1027157225 /nfs/dbraw/zinc/15/72/25/1027157225.db2.gz FQDOOLPJJHPOKQ-NSHDSACASA-N -1 1 305.324 3.594 20 0 DHADMM C[C@@H]1C[C@H](c2cccc(F)c2)N(Cc2ccc(C(=O)[O-])cn2)C1 ZINC000573379523 1027286649 /nfs/dbraw/zinc/28/66/49/1027286649.db2.gz KQTYIOHWVPRWDB-SJKOYZFVSA-N -1 1 314.360 3.502 20 0 DHADMM CCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])[C@@H](C)C(C)C ZINC000574846483 1027434858 /nfs/dbraw/zinc/43/48/58/1027434858.db2.gz PSTLXIAMTXNVKC-JTQLQIEISA-N -1 1 303.324 3.918 20 0 DHADMM C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)c1cc(F)ccc1[O-] ZINC000296099983 1027541653 /nfs/dbraw/zinc/54/16/53/1027541653.db2.gz MTFWCUQREVQFNW-AEJSXWLSSA-N -1 1 319.298 3.723 20 0 DHADMM O=C(/C=C/c1ccc(Br)cc1)c1cc(O)ccc1[O-] ZINC000036462618 1027658088 /nfs/dbraw/zinc/65/80/88/1027658088.db2.gz KWONPHABYULHPB-XVNBXDOJSA-N -1 1 319.154 3.756 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccccc1OC1CC1 ZINC000813494725 1027658778 /nfs/dbraw/zinc/65/87/78/1027658778.db2.gz YNUJWDZXWZITMJ-UHFFFAOYSA-N -1 1 303.745 3.839 20 0 DHADMM O=c1cc(C(F)F)nc(SCCCc2ccsc2)[n-]1 ZINC000577563487 1027822060 /nfs/dbraw/zinc/82/20/60/1027822060.db2.gz SIEWUDXQUFDQSR-UHFFFAOYSA-N -1 1 302.371 3.906 20 0 DHADMM COc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1Cl ZINC000814407414 1028046483 /nfs/dbraw/zinc/04/64/83/1028046483.db2.gz FVBLRTOOIMUCSX-UHFFFAOYSA-N -1 1 312.152 3.960 20 0 DHADMM CCSCC[C@H](C)N(C)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000601264757 1028050433 /nfs/dbraw/zinc/05/04/33/1028050433.db2.gz GJDUSRWRJOQMNO-NSHDSACASA-N -1 1 315.866 3.578 20 0 DHADMM COc1ccc([C@@H]([N-]C(=O)C(F)(F)C(F)F)C2CCC2)cc1 ZINC001134699553 1028238476 /nfs/dbraw/zinc/23/84/76/1028238476.db2.gz OSJFLKIHNRSQTI-LBPRGKRZSA-N -1 1 319.298 3.553 20 0 DHADMM CN(Cc1ccc(Cl)cc1)C(=O)c1c([O-])cccc1Cl ZINC000049082248 1028363283 /nfs/dbraw/zinc/36/32/83/1028363283.db2.gz LYBDCHHSXSFLNX-UHFFFAOYSA-N -1 1 310.180 3.971 20 0 DHADMM CO[C@H]1Cc2ccc(NCc3cccc([O-])c3Cl)cc2C1 ZINC000815135016 1028392286 /nfs/dbraw/zinc/39/22/86/1028392286.db2.gz NSYPAVYQOCFDNI-HNNXBMFYSA-N -1 1 303.789 3.771 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H]1c1cccnc1 ZINC000368737374 1028400490 /nfs/dbraw/zinc/40/04/90/1028400490.db2.gz PRYKOAAIWIJPBY-GOSISDBHSA-N -1 1 318.376 3.918 20 0 DHADMM CC[N@@H+](Cc1ccoc1C(=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000579484939 1028420437 /nfs/dbraw/zinc/42/04/37/1028420437.db2.gz ZAQBJDWCMOGQJN-GFCCVEGCSA-N -1 1 303.358 3.570 20 0 DHADMM [O-]c1ccc(-c2noc(CC3CCSCC3)n2)c(Cl)c1 ZINC000567212693 1028857730 /nfs/dbraw/zinc/85/77/30/1028857730.db2.gz HDYKJHXVGAEPAL-UHFFFAOYSA-N -1 1 310.806 3.781 20 0 DHADMM Cc1ccc2snc(C(=O)Nc3nc(Cl)ccc3[O-])c2c1 ZINC000816427179 1028865520 /nfs/dbraw/zinc/86/55/20/1028865520.db2.gz NLULCOUTCBQACN-UHFFFAOYSA-N -1 1 319.773 3.611 20 0 DHADMM Cc1ccccc1CS(=O)(=O)[N-]c1ccc(C2CCC2)cn1 ZINC000567440937 1028897239 /nfs/dbraw/zinc/89/72/39/1028897239.db2.gz BBEVRHHOHYEUJE-UHFFFAOYSA-N -1 1 316.426 3.599 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1COc2ccc(Cl)cc21 ZINC000372817143 1028907325 /nfs/dbraw/zinc/90/73/25/1028907325.db2.gz GFTGRQVBLYSHTI-LLVKDONJSA-N -1 1 324.163 3.814 20 0 DHADMM CO[C@H]1CC[C@@H](C(=O)Nc2cc(Cl)c([O-])c3ccccc23)C1 ZINC000628233484 1028950935 /nfs/dbraw/zinc/95/09/35/1028950935.db2.gz FZYGDHISIVASFU-MNOVXSKESA-N -1 1 319.788 3.952 20 0 DHADMM Cc1ccc(C)c([C@@H]2CN(CCCCCC(=O)[O-])[C@H](C)CO2)c1 ZINC000568065828 1029002646 /nfs/dbraw/zinc/00/26/46/1029002646.db2.gz IFIBEXJCHNASGJ-AEFFLSMTSA-N -1 1 319.445 3.710 20 0 DHADMM CCOc1ccccc1CSc1nc(CC)c(C)c(=O)[n-]1 ZINC000568273441 1029039261 /nfs/dbraw/zinc/03/92/61/1029039261.db2.gz RPYPHWBKHBLNJO-UHFFFAOYSA-N -1 1 304.415 3.744 20 0 DHADMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)c1cc2ccccc2o1 ZINC000568696930 1029112597 /nfs/dbraw/zinc/11/25/97/1029112597.db2.gz CRVIWDNEYVCIEU-VIFPVBQESA-N -1 1 317.291 3.908 20 0 DHADMM CCCc1nc(C)c(CSc2nc(C3CC3)cc(=O)[n-]2)o1 ZINC000569189504 1029191433 /nfs/dbraw/zinc/19/14/33/1029191433.db2.gz BEURWFAXDCYGQL-UHFFFAOYSA-N -1 1 305.403 3.601 20 0 DHADMM C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2cccc(F)c2[O-])o1 ZINC000628960551 1029195502 /nfs/dbraw/zinc/19/55/02/1029195502.db2.gz IEJJVFDDHKPPPD-JQWIXIFHSA-N -1 1 303.333 3.819 20 0 DHADMM CCOc1ccc(C[C@@H](C)C(=O)Nc2cccc(F)c2[O-])cc1 ZINC000628959972 1029195931 /nfs/dbraw/zinc/19/59/31/1029195931.db2.gz GXMBALSDCKZVFS-GFCCVEGCSA-N -1 1 317.360 3.747 20 0 DHADMM O=C(CCCOCCc1ccccc1)Nc1cccc(F)c1[O-] ZINC000628961141 1029196385 /nfs/dbraw/zinc/19/63/85/1029196385.db2.gz UGCDSDPVYZFCII-UHFFFAOYSA-N -1 1 317.360 3.509 20 0 DHADMM CC[C@@](C)(NC(=O)c1c([O-])cccc1F)c1ccc(F)cc1 ZINC001170873304 1029212529 /nfs/dbraw/zinc/21/25/29/1029212529.db2.gz GQSMEOCXSGBHIY-QGZVFWFLSA-N -1 1 305.324 3.726 20 0 DHADMM CCOc1cc(O)ccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000190973321 1029231564 /nfs/dbraw/zinc/23/15/64/1029231564.db2.gz GRYFHZKWRPISDF-UHFFFAOYSA-N -1 1 323.348 3.902 20 0 DHADMM CCCCc1nc(CN2CC[C@H](C(=O)[O-])[C@H]3CCC[C@@H]32)cs1 ZINC000629373376 1029315464 /nfs/dbraw/zinc/31/54/64/1029315464.db2.gz IKUMWPHTDPCPIR-ILXRZTDVSA-N -1 1 322.474 3.561 20 0 DHADMM CCCCc1nc(CN2CC[C@H](C(=O)[O-])[C@@H]3CCC[C@H]32)cs1 ZINC000629373379 1029317972 /nfs/dbraw/zinc/31/79/72/1029317972.db2.gz IKUMWPHTDPCPIR-SOUVJXGZSA-N -1 1 322.474 3.561 20 0 DHADMM CCOC(=O)c1cc(F)cnc1-c1c(F)ccc([O-])c1Cl ZINC001245827381 1029326152 /nfs/dbraw/zinc/32/61/52/1029326152.db2.gz OVXGEUXRSDTXQR-UHFFFAOYSA-N -1 1 313.687 3.563 20 0 DHADMM O=C(C[C@H]1CCOC1)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529538700 1029377920 /nfs/dbraw/zinc/37/79/20/1029377920.db2.gz KDFJLCGSBNWITJ-SNVBAGLBSA-N -1 1 305.761 3.564 20 0 DHADMM O=C(Nc1ccccc1-c1cccs1)C(=O)c1ccc([O-])cc1 ZINC001136144209 1029405325 /nfs/dbraw/zinc/40/53/25/1029405325.db2.gz LCIBJZMLXVQPRA-UHFFFAOYSA-N -1 1 323.373 3.942 20 0 DHADMM CCOc1ccc(CNC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC001136179137 1029460615 /nfs/dbraw/zinc/46/06/15/1029460615.db2.gz XGJADVZFVYRYTC-UHFFFAOYSA-N -1 1 321.376 3.874 20 0 DHADMM CCC(NC(=O)c1cc(Cl)c([O-])c(OC)c1)(C1CC1)C1CC1 ZINC000529794215 1029567476 /nfs/dbraw/zinc/56/74/76/1029567476.db2.gz WOOLSCPYTINCCT-UHFFFAOYSA-N -1 1 323.820 3.753 20 0 DHADMM CC[C@@H](CCc1ccccc1)NC(=O)c1ccc([O-])c(F)c1 ZINC000529800046 1029579098 /nfs/dbraw/zinc/57/90/98/1029579098.db2.gz NKEVJCPCMZEYHR-HNNXBMFYSA-N -1 1 301.361 3.673 20 0 DHADMM CC(C)COc1cccc(NC(=O)c2cccc([O-])c2F)c1 ZINC001136308976 1029684678 /nfs/dbraw/zinc/68/46/78/1029684678.db2.gz HEXKWAFMAYZWFA-UHFFFAOYSA-N -1 1 303.333 3.818 20 0 DHADMM O=C(C[C@@H]1CC[C@@H]2C[C@@H]21)Nc1ccc(Br)c([O-])c1 ZINC001324733184 1029720665 /nfs/dbraw/zinc/72/06/65/1029720665.db2.gz INXQHCWEWMIGMW-YWVKMMECSA-N -1 1 310.191 3.529 20 0 DHADMM Cc1nc(-c2ccc(N[C@@H](C)C3CCCC3)nc2)[n-]c(=O)c1C ZINC000450922199 1029738563 /nfs/dbraw/zinc/73/85/63/1029738563.db2.gz CICCTRZFSJVFCT-ZDUSSCGKSA-N -1 1 312.417 3.852 20 0 DHADMM C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)C1CCCCC1 ZINC000450959115 1029748910 /nfs/dbraw/zinc/74/89/10/1029748910.db2.gz OCCSHIAMVMNWTR-MRVPVSSYSA-N -1 1 316.373 3.750 20 0 DHADMM O=C(N[C@H]1CCc2c1cccc2Cl)c1cc(F)ccc1[O-] ZINC001136386291 1029774462 /nfs/dbraw/zinc/77/44/62/1029774462.db2.gz BAGJWJKUGOHGIF-AWEZNQCLSA-N -1 1 305.736 3.602 20 0 DHADMM COc1cnc(C=Cc2ccc(-c3ccc(F)cc3)o2)[n-]c1=O ZINC000821007048 1029804973 /nfs/dbraw/zinc/80/49/73/1029804973.db2.gz ATZBFNYTTMHHQX-VQHVLOKHSA-N -1 1 312.300 3.760 20 0 DHADMM CCOc1ccccc1[C@H](CC)NC(=O)c1ccc(F)c([O-])c1 ZINC001136504751 1029876475 /nfs/dbraw/zinc/87/64/75/1029876475.db2.gz NETSZITVVLKOPO-HNNXBMFYSA-N -1 1 317.360 3.811 20 0 DHADMM C[C@@H](F)CC[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451580455 1029924451 /nfs/dbraw/zinc/92/44/51/1029924451.db2.gz HZAFTWVIARALPH-MRVPVSSYSA-N -1 1 321.826 3.581 20 0 DHADMM CC[C@@H](C)CO[N-]C(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000794851977 1029956943 /nfs/dbraw/zinc/95/69/43/1029956943.db2.gz NFXNAJODOBTLIN-MNOVXSKESA-N -1 1 314.223 3.647 20 0 DHADMM CC[C@H](C)CO[N-]C(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000794851980 1029957229 /nfs/dbraw/zinc/95/72/29/1029957229.db2.gz NFXNAJODOBTLIN-QWRGUYRKSA-N -1 1 314.223 3.647 20 0 DHADMM C[C@@H]1CC=CC[C@H]1C(=O)Nc1nc(-c2cc3ccccc3o2)n[nH]1 ZINC000357336826 1030004438 /nfs/dbraw/zinc/00/44/38/1030004438.db2.gz MNAXWSKELXMDFQ-DGCLKSJQSA-N -1 1 322.368 3.759 20 0 DHADMM C[C@H]([N-]C(=O)C(C)(F)F)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000866088168 1030124440 /nfs/dbraw/zinc/12/44/40/1030124440.db2.gz RZLXYOFDXFXBNL-YFKPBYRVSA-N -1 1 322.142 3.702 20 0 DHADMM Cc1ccc(C(C)(C)CNC(=O)c2cccc([O-])c2F)cc1 ZINC001136642457 1030152166 /nfs/dbraw/zinc/15/21/66/1030152166.db2.gz BCWASPJYKTTYNY-UHFFFAOYSA-N -1 1 301.361 3.547 20 0 DHADMM CCOc1cc(C(=O)N(C(C)C)C2CCC2)cc(Cl)c1[O-] ZINC000358135490 1030341315 /nfs/dbraw/zinc/34/13/15/1030341315.db2.gz FCWBFSLYMQUZIN-UHFFFAOYSA-N -1 1 311.809 3.847 20 0 DHADMM Cc1ccc(C[C@@H]2CCCN2C(=O)c2ccc(F)c([O-])c2)cc1 ZINC001136763924 1030365981 /nfs/dbraw/zinc/36/59/81/1030365981.db2.gz KOSIHVJBKZSPCW-INIZCTEOSA-N -1 1 313.372 3.687 20 0 DHADMM O=S(=O)([N-]c1ccc2c(c1)CCC2)c1ccc(C(F)F)cc1 ZINC000558028206 1030381287 /nfs/dbraw/zinc/38/12/87/1030381287.db2.gz GFIWKHIEAQUGLB-UHFFFAOYSA-N -1 1 323.364 3.914 20 0 DHADMM CSc1cccnc1[N-]C(=O)c1cnc(CC(C)C)s1 ZINC000824003479 1030445189 /nfs/dbraw/zinc/44/51/89/1030445189.db2.gz AQLVMVFHCBXZFA-UHFFFAOYSA-N -1 1 307.444 3.711 20 0 DHADMM CCCN(C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-])C(C)C ZINC000824264879 1030504308 /nfs/dbraw/zinc/50/43/08/1030504308.db2.gz SWVQLUHGXXJFKU-UHFFFAOYSA-N -1 1 315.369 3.725 20 0 DHADMM Cc1ccc(-c2ccc(Cl)cc2[N-]S(=O)(=O)C2CC2)o1 ZINC000358492962 1030513238 /nfs/dbraw/zinc/51/32/38/1030513238.db2.gz HRPVCGZTOVBQHY-UHFFFAOYSA-N -1 1 311.790 3.813 20 0 DHADMM CC[C@@H](C)[C@@H](C)NC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001136855143 1030524701 /nfs/dbraw/zinc/52/47/01/1030524701.db2.gz VTSRSVQYBDQHDF-VXGBXAGGSA-N -1 1 315.369 3.629 20 0 DHADMM CC[C@H](c1ccncc1)N(C)C(=O)c1cc(Cl)ccc1[O-] ZINC001136859613 1030530677 /nfs/dbraw/zinc/53/06/77/1030530677.db2.gz BFEKXTTUPGUUFA-CQSZACIVSA-N -1 1 304.777 3.664 20 0 DHADMM Cc1cnc(C(=O)N(C)[C@H](C)c2cccc(Cl)c2)c([O-])c1 ZINC000358635708 1030569007 /nfs/dbraw/zinc/56/90/07/1030569007.db2.gz SCKGDOYVGMJORP-LLVKDONJSA-N -1 1 304.777 3.582 20 0 DHADMM C[C@H]([N-]S(=O)(=O)c1sc2ccccc2c1Cl)C1CC1 ZINC001212018219 1030662722 /nfs/dbraw/zinc/66/27/22/1030662722.db2.gz MJGXVHFMDVFGQG-QMMMGPOBSA-N -1 1 315.847 3.632 20 0 DHADMM Cc1ccc(O[C@@H](C)CNC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC001137011168 1030762950 /nfs/dbraw/zinc/76/29/50/1030762950.db2.gz NJFPPTKMGFQXOM-LBPRGKRZSA-N -1 1 319.788 3.551 20 0 DHADMM Cc1nc(SCc2cncc(C(F)(F)F)c2)[n-]c(=O)c1C ZINC000359175260 1030821688 /nfs/dbraw/zinc/82/16/88/1030821688.db2.gz KPTKWLAFXJMNQL-UHFFFAOYSA-N -1 1 315.320 3.505 20 0 DHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc2[nH]ccc2s1 ZINC000359250975 1030865642 /nfs/dbraw/zinc/86/56/42/1030865642.db2.gz LDUSTIAXMKZVNM-UHFFFAOYSA-N -1 1 324.365 3.577 20 0 DHADMM CC(C)[C@H]1N(C(=O)c2c([O-])cccc2Cl)CC12CC=CC2 ZINC000844097818 1030955875 /nfs/dbraw/zinc/95/58/75/1030955875.db2.gz ZKHNFPGOUCPYKF-OAHLLOKOSA-N -1 1 305.805 3.862 20 0 DHADMM CC[C@H](C)c1nnc([C@H](C)NCc2cccc([O-])c2Cl)[nH]1 ZINC000292746219 1031156633 /nfs/dbraw/zinc/15/66/33/1031156633.db2.gz ASUFBVHUNVVGGJ-UWVGGRQHSA-N -1 1 308.813 3.528 20 0 DHADMM COc1cc(C(=O)Nc2cc(C3CC3)ccn2)cc(Cl)c1[O-] ZINC000559230738 1031171894 /nfs/dbraw/zinc/17/18/94/1031171894.db2.gz PULQALYEIMGPLB-UHFFFAOYSA-N -1 1 318.760 3.579 20 0 DHADMM C[N@@H+](CCC(=O)[O-])Cc1cc(Cl)ccc1OC1CCCC1 ZINC000263407121 1031187948 /nfs/dbraw/zinc/18/79/48/1031187948.db2.gz KIDTVYIORLPQCH-UHFFFAOYSA-N -1 1 311.809 3.568 20 0 DHADMM CCc1cc(=O)[n-]c(SCc2noc3c2CC(C)(C)CC3)n1 ZINC000871666966 1031260559 /nfs/dbraw/zinc/26/05/59/1031260559.db2.gz VZAZUVOVPWRKIT-UHFFFAOYSA-N -1 1 319.430 3.540 20 0 DHADMM COc1cc(C(=O)N2CC(C)(C)[C@H]3CCC[C@@H]32)cc(Cl)c1[O-] ZINC000360232580 1031339268 /nfs/dbraw/zinc/33/92/68/1031339268.db2.gz CPHBZGJESOQMKM-AAEUAGOBSA-N -1 1 323.820 3.705 20 0 DHADMM Cc1noc(C(C)C)c1[N-]C(=O)c1oc2c(c1C)C(=O)CCC2 ZINC000928790534 1031386253 /nfs/dbraw/zinc/38/62/53/1031386253.db2.gz YQIBCYKOEONOTR-UHFFFAOYSA-N -1 1 316.357 3.779 20 0 DHADMM CC(C)[C@@H]1CCc2[n-]n([C@H]3CCOC4(CCCC4)C3)c(=O)c2C1 ZINC000871963102 1031388795 /nfs/dbraw/zinc/38/87/95/1031388795.db2.gz DTVIFCGCEXVDPB-PMPSAXMXSA-N -1 1 318.461 3.749 20 0 DHADMM CC(C)[C@@H]1CCc2[n-]n([C@@H]3CCOC4(CCCC4)C3)c(=O)c2C1 ZINC000871963093 1031389655 /nfs/dbraw/zinc/38/96/55/1031389655.db2.gz DTVIFCGCEXVDPB-BZUAXINKSA-N -1 1 318.461 3.749 20 0 DHADMM COc1cc(OC)c(OC)cc1NCc1cccc([O-])c1Cl ZINC000293270299 1031404449 /nfs/dbraw/zinc/40/44/49/1031404449.db2.gz NIKLMHILMKJZHI-UHFFFAOYSA-N -1 1 323.776 3.684 20 0 DHADMM CCCN(CCC)C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC000929152623 1031448791 /nfs/dbraw/zinc/44/87/91/1031448791.db2.gz BMFLDZGEVWDZHA-UHFFFAOYSA-N -1 1 315.369 3.727 20 0 DHADMM C[C@H](c1ccc(Cl)cc1)N1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1 ZINC000872168109 1031546979 /nfs/dbraw/zinc/54/69/79/1031546979.db2.gz ODUAFEHTWQVHCG-ZHAHWJHGSA-N -1 1 321.726 3.596 20 0 DHADMM C[C@H]1CC2(CCC2)CN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000897571290 1031632764 /nfs/dbraw/zinc/63/27/64/1031632764.db2.gz MZPXTBXZYLZFLR-LBPRGKRZSA-N -1 1 311.381 3.656 20 0 DHADMM CCCc1ccccc1[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000032098391 1031646177 /nfs/dbraw/zinc/64/61/77/1031646177.db2.gz PEJYTWDJGQXBST-UHFFFAOYSA-N -1 1 317.410 3.643 20 0 DHADMM CN(Cc1nc2ccccc2s1)Cc1c(F)cc([O-])cc1F ZINC001144544770 1031677447 /nfs/dbraw/zinc/67/74/47/1031677447.db2.gz GPIAUUJSSVBRPX-UHFFFAOYSA-N -1 1 320.364 3.912 20 0 DHADMM CCN(CC(C)C)C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC000930033088 1031683449 /nfs/dbraw/zinc/68/34/49/1031683449.db2.gz UVEBAFXCOPNIPJ-UHFFFAOYSA-N -1 1 315.369 3.583 20 0 DHADMM C[C@@]12CCN(C(=O)c3cc4ccccc4cc3[O-])C[C@@H]1C2(F)F ZINC000293902505 1031688748 /nfs/dbraw/zinc/68/87/48/1031688748.db2.gz FMOBKBTZKXCOBC-DOTOQJQBSA-N -1 1 317.335 3.663 20 0 DHADMM COc1ccc2c(c1)CN(Cc1c(F)cc([O-])cc1F)CCC2 ZINC001144562099 1031713798 /nfs/dbraw/zinc/71/37/98/1031713798.db2.gz YMOURETWFWVKLV-UHFFFAOYSA-N -1 1 319.351 3.627 20 0 DHADMM O=C(Nc1ccc(O)cc1F)c1ccc(C(F)(F)F)cc1[O-] ZINC000124432683 1031744529 /nfs/dbraw/zinc/74/45/29/1031744529.db2.gz QWEBWQNWTUIUSA-UHFFFAOYSA-N -1 1 315.222 3.508 20 0 DHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N(CC1CC1)C1CCC1 ZINC000897630707 1031752839 /nfs/dbraw/zinc/75/28/39/1031752839.db2.gz GUQVFLFPAVQFKJ-UHFFFAOYSA-N -1 1 311.381 3.656 20 0 DHADMM COc1ccccc1[C@H](C)N(C)Cc1sccc1C(=O)[O-] ZINC001144677432 1031821299 /nfs/dbraw/zinc/82/12/99/1031821299.db2.gz PYAOZSSOEPQZOF-NSHDSACASA-N -1 1 305.399 3.648 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@]2(CC2(F)F)C1 ZINC000846573061 1032012458 /nfs/dbraw/zinc/01/24/58/1032012458.db2.gz VTLDENZYRSZWDD-QGZVFWFLSA-N -1 1 317.335 3.807 20 0 DHADMM CSc1ccc(C)c([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000539400222 1033345648 /nfs/dbraw/zinc/34/56/48/1033345648.db2.gz GWAXZBRTKFYBQD-UHFFFAOYSA-N -1 1 311.403 3.657 20 0 DHADMM [O-]c1cccc(CN(Cc2ccco2)C[C@H]2CCCO2)c1Cl ZINC000350680266 1033663709 /nfs/dbraw/zinc/66/37/09/1033663709.db2.gz CAAZGPVYWPFLBI-OAHLLOKOSA-N -1 1 321.804 3.820 20 0 DHADMM CCCc1cc(=O)[n-]c(SCc2ncc(Cl)s2)n1 ZINC000479210863 1033687917 /nfs/dbraw/zinc/68/79/17/1033687917.db2.gz NUIMKQRJLVGXSG-UHFFFAOYSA-N -1 1 301.824 3.537 20 0 DHADMM CCC1(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)COC1 ZINC000862294707 1033813291 /nfs/dbraw/zinc/81/32/91/1033813291.db2.gz OQVYUVPWCSCQIH-UHFFFAOYSA-N -1 1 305.761 3.564 20 0 DHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2cccc(C)c2C)c1 ZINC001173953803 1034013320 /nfs/dbraw/zinc/01/33/20/1034013320.db2.gz KIFLQSJVPUCRPB-UHFFFAOYSA-N -1 1 305.399 3.546 20 0 DHADMM O=c1ccn(-c2ccc(Nc3cnc4ccccc4c3)cc2)[n-]1 ZINC001174003828 1034034611 /nfs/dbraw/zinc/03/46/11/1034034611.db2.gz KACVZHKPIZXBEB-UHFFFAOYSA-N -1 1 302.337 3.870 20 0 DHADMM CCOc1ccc2cc(-n3[n-]c(=O)c4ccc(N)cc43)ccc2c1 ZINC001174108467 1034119950 /nfs/dbraw/zinc/11/99/50/1034119950.db2.gz XOXDKDDKIVZKOA-UHFFFAOYSA-N -1 1 319.364 3.865 20 0 DHADMM CCN(CC)C(=O)c1cccc(Nc2ccnc(Cl)c2[O-])c1 ZINC001174164940 1034187660 /nfs/dbraw/zinc/18/76/60/1034187660.db2.gz YRJCVTVYPLQCEU-UHFFFAOYSA-N -1 1 319.792 3.666 20 0 DHADMM O=C(c1cccc(Nc2ccc(F)c(F)c2[O-])c1)N1CCCC1 ZINC001174172220 1034196502 /nfs/dbraw/zinc/19/65/02/1034196502.db2.gz TWINATKXURQQRW-UHFFFAOYSA-N -1 1 318.323 3.650 20 0 DHADMM CCCCNC(=O)c1cccc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001174191629 1034210321 /nfs/dbraw/zinc/21/03/21/1034210321.db2.gz ZENMMLBVSMEKNH-UHFFFAOYSA-N -1 1 320.339 3.944 20 0 DHADMM COc1cccc(Cc2nc(=O)c3c(C)sc(C)c3[n-]2)c1 ZINC000864355134 1034326888 /nfs/dbraw/zinc/32/68/88/1034326888.db2.gz KRAZYFBYYIZYOI-UHFFFAOYSA-N -1 1 300.383 3.613 20 0 DHADMM CCOCc1ccc(-c2nc(=O)c3c(C)sc(C)c3[n-]2)cc1 ZINC000864355709 1034327633 /nfs/dbraw/zinc/32/76/33/1034327633.db2.gz PRWXRMVNBZDAJS-UHFFFAOYSA-N -1 1 314.410 3.805 20 0 DHADMM CCOc1cc(F)cc(CN[C@H](CC(=O)[O-])c2ccsc2)c1 ZINC000864503896 1034366747 /nfs/dbraw/zinc/36/67/47/1034366747.db2.gz JEYMNDPLHGXKMO-OAHLLOKOSA-N -1 1 323.389 3.592 20 0 DHADMM CC(C)Cc1nsc([N-]C(=O)c2conc2C2CCCC2)n1 ZINC000880685407 1034392800 /nfs/dbraw/zinc/39/28/00/1034392800.db2.gz FAHBEYYFZOBDRQ-UHFFFAOYSA-N -1 1 320.418 3.635 20 0 DHADMM CCc1nnc([N-]C(=O)c2ccc(SC(F)(F)F)o2)s1 ZINC000864969306 1034486617 /nfs/dbraw/zinc/48/66/17/1034486617.db2.gz SZJSIOAIMNIACZ-UHFFFAOYSA-N -1 1 323.321 3.558 20 0 DHADMM Cc1[n-]n(-c2nc3ccc(Cl)cc3s2)c(=O)c1C(C)C ZINC000899348809 1034593304 /nfs/dbraw/zinc/59/33/04/1034593304.db2.gz LIAFHNAYCUBKFB-LBPRGKRZSA-N -1 1 307.806 3.944 20 0 DHADMM CCSc1nnc([N-]C(=O)c2sccc2Cl)s1 ZINC000350698260 1034746201 /nfs/dbraw/zinc/74/62/01/1034746201.db2.gz BMSKFLMDZKYYIV-UHFFFAOYSA-N -1 1 305.837 3.617 20 0 DHADMM C[C@@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)c1ccc(F)nc1 ZINC000882119403 1034748987 /nfs/dbraw/zinc/74/89/87/1034748987.db2.gz WGZKSRDSJDGAKT-ZCFIWIBFSA-N -1 1 319.283 3.588 20 0 DHADMM CCOc1ccc(F)cc1Nc1cc2ccc([O-])cc2oc1=O ZINC001175079407 1034799821 /nfs/dbraw/zinc/79/98/21/1034799821.db2.gz JRAMPFWYJCMIBU-UHFFFAOYSA-N -1 1 315.300 3.780 20 0 DHADMM O=c1oc2cc([O-])ccc2cc1Nc1cc(F)c(F)cc1F ZINC001175084991 1034803438 /nfs/dbraw/zinc/80/34/38/1034803438.db2.gz DIECHGQKOUHOEU-UHFFFAOYSA-N -1 1 307.227 3.660 20 0 DHADMM O=C([O-])c1cc(Cl)ccc1C[N@H+]1CCCC(F)(F)CC1 ZINC001142643446 1034861598 /nfs/dbraw/zinc/86/15/98/1034861598.db2.gz VGVNKILZRQBPOJ-UHFFFAOYSA-N -1 1 303.736 3.659 20 0 DHADMM COc1cc(Nc2c(F)ccc([O-])c2F)c(C(C)=O)cc1OC ZINC001175266375 1034913391 /nfs/dbraw/zinc/91/33/91/1034913391.db2.gz YXHCEYNHKWBMCQ-UHFFFAOYSA-N -1 1 323.295 3.634 20 0 DHADMM CCOc1cc(C(=O)NC2CCC3(CC3)CC2)cc(Cl)c1[O-] ZINC000555816771 1034915667 /nfs/dbraw/zinc/91/56/67/1034915667.db2.gz KVZQFMFQUWVAEL-UHFFFAOYSA-N -1 1 323.820 3.897 20 0 DHADMM COc1ccc(C(=O)Nc2ccc(C3CC3)cc2F)c([O-])c1 ZINC001175320782 1034932252 /nfs/dbraw/zinc/93/22/52/1034932252.db2.gz FEQHWXVFQZERAA-UHFFFAOYSA-N -1 1 301.317 3.670 20 0 DHADMM O=S(=O)([O-])c1cc(O)c(NC2=CCCCC2)c2ccccc21 ZINC001175753600 1035109025 /nfs/dbraw/zinc/10/90/25/1035109025.db2.gz RZTXMODUSADGHC-UHFFFAOYSA-N -1 1 319.382 3.662 20 0 DHADMM COc1ccc(Nc2c(Cl)ccc([O-])c2Cl)cc1CO ZINC001175987095 1035175228 /nfs/dbraw/zinc/17/52/28/1035175228.db2.gz PQOLPROKEBKQKX-UHFFFAOYSA-N -1 1 314.168 3.944 20 0 DHADMM O=C([O-])CCCCNc1ccnc2cc(C(F)(F)F)ccc21 ZINC000668161588 1035200905 /nfs/dbraw/zinc/20/09/05/1035200905.db2.gz RYKMAYFOJRHTQL-UHFFFAOYSA-N -1 1 312.291 3.920 20 0 DHADMM [O-]c1c(Br)ccc(Cl)c1N=C1CCOCC1 ZINC001176148672 1035203727 /nfs/dbraw/zinc/20/37/27/1035203727.db2.gz PJQQFOIJRPKXQO-UHFFFAOYSA-N -1 1 304.571 3.524 20 0 DHADMM [O-]c1c(Br)ccc(Cl)c1NC1=CCOCC1 ZINC001176148672 1035203732 /nfs/dbraw/zinc/20/37/32/1035203732.db2.gz PJQQFOIJRPKXQO-UHFFFAOYSA-N -1 1 304.571 3.524 20 0 DHADMM [O-]c1c(Cl)nccc1Nc1ccc(O)cc1C(F)(F)F ZINC001176339134 1035243754 /nfs/dbraw/zinc/24/37/54/1035243754.db2.gz OFLFUXPCNZGUBD-UHFFFAOYSA-N -1 1 304.655 3.909 20 0 DHADMM CC(C)[C@@H](OC(=O)c1ccc([O-])cc1F)C(=O)c1ccccc1 ZINC000773570218 1035257693 /nfs/dbraw/zinc/25/76/93/1035257693.db2.gz NEQPQUSIYNQZOU-QGZVFWFLSA-N -1 1 316.328 3.596 20 0 DHADMM [O-]c1c(Cl)nccc1Nc1cc(F)cc(N2CCCC2)c1 ZINC001176421634 1035270468 /nfs/dbraw/zinc/27/04/68/1035270468.db2.gz UMKQGSNRKMHWQO-UHFFFAOYSA-N -1 1 307.756 3.924 20 0 DHADMM [O-]c1cc(Nc2cnc(N3CCCCC3)nc2)c(F)cc1Cl ZINC001176507545 1035283986 /nfs/dbraw/zinc/28/39/86/1035283986.db2.gz PGNVPUYUBMTUQI-UHFFFAOYSA-N -1 1 322.771 3.709 20 0 DHADMM Nc1cc(C(F)(F)F)ncc1Nc1c(F)cc(F)c([O-])c1F ZINC001176664109 1035308805 /nfs/dbraw/zinc/30/88/05/1035308805.db2.gz KSWDPUQKDUQKMC-UHFFFAOYSA-N -1 1 323.196 3.549 20 0 DHADMM O=c1cc(Nc2c(F)cc(F)c([O-])c2F)c2ccccc2[nH]1 ZINC001176664898 1035309880 /nfs/dbraw/zinc/30/98/80/1035309880.db2.gz XMFPDSIKLIUQIZ-UHFFFAOYSA-N -1 1 306.243 3.807 20 0 DHADMM O=c1[nH]c2ccc(Nc3c(F)cc(F)c([O-])c3F)cc2s1 ZINC001176671751 1035310201 /nfs/dbraw/zinc/31/02/01/1035310201.db2.gz NOLKKRFQPFEUNV-UHFFFAOYSA-N -1 1 312.272 3.868 20 0 DHADMM CCC(=O)Nc1cccc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176672437 1035310927 /nfs/dbraw/zinc/31/09/27/1035310927.db2.gz VUPLGOYJJCOVTI-UHFFFAOYSA-N -1 1 310.275 3.902 20 0 DHADMM COc1c(F)ccc(Nc2c(F)cc(F)c([O-])c2F)c1F ZINC001176673749 1035311967 /nfs/dbraw/zinc/31/19/67/1035311967.db2.gz ZINCDGBQMGINLN-UHFFFAOYSA-N -1 1 305.202 3.840 20 0 DHADMM O=c1[nH]cc(Nc2c(F)cc(F)c([O-])c2F)cc1C(F)(F)F ZINC001176662954 1035317859 /nfs/dbraw/zinc/31/78/59/1035317859.db2.gz DZNNPIRBKWQLKQ-UHFFFAOYSA-N -1 1 324.180 3.673 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ccc(N3CCCC3)nc2)c1F ZINC001176662951 1035317999 /nfs/dbraw/zinc/31/79/99/1035317999.db2.gz DSZBQFASYXRWAR-UHFFFAOYSA-N -1 1 309.291 3.548 20 0 DHADMM [O-]c1c(F)c(F)ccc1Nc1ccnn1Cc1ccccc1 ZINC001176704207 1035324227 /nfs/dbraw/zinc/32/42/27/1035324227.db2.gz CZVPNHPRFDQRGS-UHFFFAOYSA-N -1 1 301.296 3.659 20 0 DHADMM CC(C)c1ccc([C@H](CC(=O)[O-])NCc2cncs2)cc1 ZINC000904002321 1035337406 /nfs/dbraw/zinc/33/74/06/1035337406.db2.gz SNOIUXQZUSPPRW-HNNXBMFYSA-N -1 1 304.415 3.572 20 0 DHADMM Cc1cnc(Cl)c(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000904002880 1035338407 /nfs/dbraw/zinc/33/84/07/1035338407.db2.gz GEZMVJOZXWXSIJ-DOMZBBRYSA-N -1 1 318.804 3.595 20 0 DHADMM O=C([O-])C[C@@H](NCc1cscc1Cl)c1cccs1 ZINC000904006436 1035343560 /nfs/dbraw/zinc/34/35/60/1035343560.db2.gz WJRWZNISSRZVNO-SNVBAGLBSA-N -1 1 301.820 3.769 20 0 DHADMM CCC[C@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C(C)C ZINC000484498668 1035346184 /nfs/dbraw/zinc/34/61/84/1035346184.db2.gz FGOIQKAQORNZGJ-AWEZNQCLSA-N -1 1 301.390 3.793 20 0 DHADMM CCOc1ccc(C[C@H](C)C(=O)[N-]Oc2ccccc2F)cc1 ZINC001177109645 1035350537 /nfs/dbraw/zinc/35/05/37/1035350537.db2.gz LRESJRLCCZOVIF-ZDUSSCGKSA-N -1 1 317.360 3.513 20 0 DHADMM CC[C@@H](NCc1csc2ccccc12)c1nc(C(=O)[O-])c[nH]1 ZINC000904065484 1035356958 /nfs/dbraw/zinc/35/69/58/1035356958.db2.gz RYJRMMDYPYQQKR-GFCCVEGCSA-N -1 1 315.398 3.564 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2csc(C)c2C)c1 ZINC000773631366 1035359406 /nfs/dbraw/zinc/35/94/06/1035359406.db2.gz WUCPZXKKJDKICS-UHFFFAOYSA-N -1 1 318.394 3.673 20 0 DHADMM CC(C)[C@@H](Cc1ccccc1)NC(=O)c1ccc(F)c([O-])c1 ZINC001177919487 1035398855 /nfs/dbraw/zinc/39/88/55/1035398855.db2.gz UBDOWYHKOFVVCL-MRXNPFEDSA-N -1 1 301.361 3.528 20 0 DHADMM COc1cccc(-c2noc(Cc3ccc([O-])c(Cl)c3)n2)c1 ZINC000904600574 1035433658 /nfs/dbraw/zinc/43/36/58/1035433658.db2.gz FAIMIZJKXUCOMK-UHFFFAOYSA-N -1 1 316.744 3.695 20 0 DHADMM [O-]c1cc(-c2cccc(CO[C@@H]3CCOC3)c2)cc(F)c1F ZINC000904795512 1035458170 /nfs/dbraw/zinc/45/81/70/1035458170.db2.gz AWFCMFGCFDCKRT-CQSZACIVSA-N -1 1 306.308 3.643 20 0 DHADMM COc1cnc(C=Cc2cc(C)c(C)cc2OC(F)F)[n-]c1=O ZINC000905077140 1035481147 /nfs/dbraw/zinc/48/11/47/1035481147.db2.gz RLUJYDLORKXLCF-SNAWJCMRSA-N -1 1 322.311 3.579 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1ccccc1OC1CC1 ZINC001179659574 1035487296 /nfs/dbraw/zinc/48/72/96/1035487296.db2.gz CMYGZXVDZNJQAM-UHFFFAOYSA-N -1 1 321.735 3.978 20 0 DHADMM COc1cc(C(=O)Nc2cc(F)c([O-])cc2Cl)ccc1F ZINC001179660525 1035488149 /nfs/dbraw/zinc/48/81/49/1035488149.db2.gz VHPRVZHGOCTTOD-UHFFFAOYSA-N -1 1 313.687 3.585 20 0 DHADMM O=C(Cc1ccc(F)cc1F)Nc1cc(F)c([O-])cc1Cl ZINC001179660607 1035488165 /nfs/dbraw/zinc/48/81/65/1035488165.db2.gz YYGSLGULOMUGEP-UHFFFAOYSA-N -1 1 315.678 3.644 20 0 DHADMM O=C(Nc1ccc(Cl)cc1[O-])N[C@@H]1CCc2ccccc21 ZINC001192995584 1035526309 /nfs/dbraw/zinc/52/63/09/1035526309.db2.gz NETRNMAQZNNZNJ-CYBMUJFWSA-N -1 1 302.761 3.855 20 0 DHADMM Cc1cccnc1-c1nc2cc(Cl)c(Cl)cc2c(=O)[n-]1 ZINC000485365719 1035568530 /nfs/dbraw/zinc/56/85/30/1035568530.db2.gz WVKNJQYSTHURDB-UHFFFAOYSA-N -1 1 306.152 3.600 20 0 DHADMM CCOC(=O)c1ccsc1Nc1cc([O-])c(F)c(F)c1F ZINC001249959144 1035608397 /nfs/dbraw/zinc/60/83/97/1035608397.db2.gz WXABBWFDNFNEDK-UHFFFAOYSA-N -1 1 317.288 3.791 20 0 DHADMM Cc1occc1CN[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000905753137 1035642098 /nfs/dbraw/zinc/64/20/98/1035642098.db2.gz XZWCFZHORPMPHK-CYBMUJFWSA-N -1 1 313.275 3.522 20 0 DHADMM COc1ccc2c(c1)N(Cc1cccc([O-])c1Cl)C[C@@H](C)O2 ZINC001181089396 1035824252 /nfs/dbraw/zinc/82/42/52/1035824252.db2.gz UNLMTNOSLKERFX-LLVKDONJSA-N -1 1 319.788 3.842 20 0 DHADMM CC(C)(C)COC(=O)Nc1ccc(Br)cc1[O-] ZINC001194383290 1035915766 /nfs/dbraw/zinc/91/57/66/1035915766.db2.gz GSPVJOCGKNMOMM-UHFFFAOYSA-N -1 1 302.168 3.749 20 0 DHADMM COc1ccc(OC(=O)Nc2cc([O-])c(Cl)cc2F)cc1 ZINC001194533301 1035953539 /nfs/dbraw/zinc/95/35/39/1035953539.db2.gz WLKVPVVWCPYFJA-UHFFFAOYSA-N -1 1 311.696 3.804 20 0 DHADMM O=C(CNC(=O)Oc1ccc2ccccc2c1)c1ccc([O-])cc1 ZINC001194678268 1035992447 /nfs/dbraw/zinc/99/24/47/1035992447.db2.gz WWYHPZZSFLOOIO-UHFFFAOYSA-N -1 1 321.332 3.517 20 0 DHADMM CC(C)CCOC(=O)Nc1ccc([O-])c(Br)c1 ZINC001194871527 1036056305 /nfs/dbraw/zinc/05/63/05/1036056305.db2.gz HYEPTBKWOCKWNZ-UHFFFAOYSA-N -1 1 302.168 3.749 20 0 DHADMM O=C([N-]c1cccc(Cl)c1SC(F)F)c1ccon1 ZINC000101529966 1036093409 /nfs/dbraw/zinc/09/34/09/1036093409.db2.gz QJGACAKRVMQKEI-UHFFFAOYSA-N -1 1 304.705 3.895 20 0 DHADMM Cc1cc(NC(=O)c2cc([O-])cnc2Cl)cc2scnc21 ZINC001195306221 1036216019 /nfs/dbraw/zinc/21/60/19/1036216019.db2.gz PTGUGXBDHZCYAV-UHFFFAOYSA-N -1 1 319.773 3.611 20 0 DHADMM COc1ccc2c(c1)CCN(Cc1cccc([O-])c1Cl)C2 ZINC000668605021 1036217479 /nfs/dbraw/zinc/21/74/79/1036217479.db2.gz ZYWPSWHPXUFUPJ-UHFFFAOYSA-N -1 1 303.789 3.613 20 0 DHADMM O=C(NCCCCC1CCCCC1)c1cc([O-])cnc1Cl ZINC001195314497 1036218591 /nfs/dbraw/zinc/21/85/91/1036218591.db2.gz GGTFCOVTBJCZTP-UHFFFAOYSA-N -1 1 310.825 3.921 20 0 DHADMM Cc1ccc([O-])c(C(=O)Nc2cc(-c3cccc(F)c3)ccn2)n1 ZINC001195320327 1036221015 /nfs/dbraw/zinc/22/10/15/1036221015.db2.gz ZWKRBQKRLPVJHY-UHFFFAOYSA-N -1 1 323.327 3.549 20 0 DHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])[C@@H]1C[C@@H]1C(F)(F)F ZINC001182322224 1036223431 /nfs/dbraw/zinc/22/34/31/1036223431.db2.gz OFMKXMRALALIIR-VDTYLAMSSA-N -1 1 313.197 3.548 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1ccc(Oc2ccccc2)cc1 ZINC001195449465 1036246425 /nfs/dbraw/zinc/24/64/25/1036246425.db2.gz XBFYNRRGMPWTFY-UHFFFAOYSA-N -1 1 316.382 3.922 20 0 DHADMM CCCC[C@@H](C)N(CCCC)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000908441435 1036411555 /nfs/dbraw/zinc/41/15/55/1036411555.db2.gz QLNYRTOFRXNREC-CYBMUJFWSA-N -1 1 319.449 3.881 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000908707485 1036487332 /nfs/dbraw/zinc/48/73/32/1036487332.db2.gz IXMRSMAZVMIVRM-OUAUKWLOSA-N -1 1 322.202 3.696 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)[C@H]1CC12CCCC2 ZINC000908713934 1036488557 /nfs/dbraw/zinc/48/85/57/1036488557.db2.gz WBIDGJNPTYDVFB-SECBINFHSA-N -1 1 310.191 3.674 20 0 DHADMM CC(C)C(C)(C)C(=O)Nc1cccc([O-])c1Br ZINC000908709867 1036489510 /nfs/dbraw/zinc/48/95/10/1036489510.db2.gz LNBHIRPFVDQBHG-UHFFFAOYSA-N -1 1 300.196 3.775 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)[C@H]1CCCC12CC2 ZINC000908717362 1036492394 /nfs/dbraw/zinc/49/23/94/1036492394.db2.gz LBPKLPDGNRJTSW-SECBINFHSA-N -1 1 310.191 3.674 20 0 DHADMM O=C(Nc1ccc(Cl)cc1[O-])C1=NO[C@@H](c2ccccc2)C1 ZINC000153488860 1036665708 /nfs/dbraw/zinc/66/57/08/1036665708.db2.gz JNFJBOZROFCJMW-OAHLLOKOSA-N -1 1 316.744 3.502 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000909972373 1036724565 /nfs/dbraw/zinc/72/45/65/1036724565.db2.gz LVCSKBPLFLBVFX-SFYZADRCSA-N -1 1 323.261 3.978 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000909975386 1036729936 /nfs/dbraw/zinc/72/99/36/1036729936.db2.gz PQSYGNFXJYIXAE-JGVFFNPUSA-N -1 1 323.261 3.978 20 0 DHADMM O=C(N[C@@H]1COc2ccc(Cl)cc21)c1c([O-])cccc1Cl ZINC000762579406 1036847335 /nfs/dbraw/zinc/84/73/35/1036847335.db2.gz PABFRUQDJINGII-LLVKDONJSA-N -1 1 324.163 3.563 20 0 DHADMM Cc1cc(CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)ncn1 ZINC000488264616 1036926084 /nfs/dbraw/zinc/92/60/84/1036926084.db2.gz KBQQCQQWQMVCET-UHFFFAOYSA-N -1 1 324.409 3.548 20 0 DHADMM Brc1nnc([N-]c2cccc3cccnc32)s1 ZINC000081663339 1037004253 /nfs/dbraw/zinc/00/42/53/1037004253.db2.gz BEUJUCDIXRLGFJ-UHFFFAOYSA-N -1 1 307.176 3.592 20 0 DHADMM O=C(Nc1ccc(F)c(F)c1F)Nc1cc(F)cc(F)c1[O-] ZINC001185339048 1037117322 /nfs/dbraw/zinc/11/73/22/1037117322.db2.gz WILXDQOQJBXLHS-UHFFFAOYSA-N -1 1 318.201 3.732 20 0 DHADMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198816712 1037137801 /nfs/dbraw/zinc/13/78/01/1037137801.db2.gz NIHQRXLBFZVVRV-UHFFFAOYSA-N -1 1 305.330 3.681 20 0 DHADMM Cc1c(C)c([N-]S(=O)(=O)c2ccc3occc3c2)ccc1F ZINC001198868588 1037154490 /nfs/dbraw/zinc/15/44/90/1037154490.db2.gz JIXLHCRSBLEFQO-UHFFFAOYSA-N -1 1 319.357 3.990 20 0 DHADMM O=S(=O)([N-]c1ccc2[nH]ccc2c1)c1ccc(Cl)cc1 ZINC000074842277 1037290456 /nfs/dbraw/zinc/29/04/56/1037290456.db2.gz XDMGZWHDLHXHJP-UHFFFAOYSA-N -1 1 306.774 3.622 20 0 DHADMM O=C(Nc1ccc(C2CCOCC2)cc1)c1ccc([O-])c(F)c1 ZINC001186226042 1037337727 /nfs/dbraw/zinc/33/77/27/1037337727.db2.gz LHQIVFZIDLIZPR-UHFFFAOYSA-N -1 1 315.344 3.678 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CCC[C@H]1c1cc2ccccc2[nH]1 ZINC001186327481 1037357878 /nfs/dbraw/zinc/35/78/78/1037357878.db2.gz OXAOUPKWGHOREV-SFHVURJKSA-N -1 1 324.355 3.990 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H]1c1ccc(F)cc1F ZINC001186326848 1037358089 /nfs/dbraw/zinc/35/80/89/1037358089.db2.gz JFBAFZDIURMSJR-MRXNPFEDSA-N -1 1 321.298 3.787 20 0 DHADMM [O-]c1cc(F)c(NC(=S)NCC2CCCCC2)c(F)c1 ZINC001199928111 1037375291 /nfs/dbraw/zinc/37/52/91/1037375291.db2.gz LUVWMNNCLLPMNI-UHFFFAOYSA-N -1 1 300.374 3.537 20 0 DHADMM Cc1ccc(CNC(=O)c2ccc([O-])cc2F)c2ccccc12 ZINC001186337456 1037377884 /nfs/dbraw/zinc/37/78/84/1037377884.db2.gz JKSBOMBJNTWLGB-UHFFFAOYSA-N -1 1 309.340 3.923 20 0 DHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC=CC12CCCCC2 ZINC000912479262 1037409440 /nfs/dbraw/zinc/40/94/40/1037409440.db2.gz LGTOWDYJWAKNOD-UHFFFAOYSA-N -1 1 323.392 3.966 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])N[C@@H]1CCCc2ccccc21 ZINC001186458141 1037421762 /nfs/dbraw/zinc/42/17/62/1037421762.db2.gz QYTSCCLNKRCIPQ-CQSZACIVSA-N -1 1 300.333 3.730 20 0 DHADMM O=C(NCC1CC1)Nc1c([O-])cc(C(F)(F)F)cc1Cl ZINC001186623429 1037451324 /nfs/dbraw/zinc/45/13/24/1037451324.db2.gz ZTCBPHZYVBSKLE-UHFFFAOYSA-N -1 1 308.687 3.596 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CCC(C2CCCCC2)CC1 ZINC000776123745 1037458293 /nfs/dbraw/zinc/45/82/93/1037458293.db2.gz QPYAXQSEXMPQKG-UHFFFAOYSA-N -1 1 305.393 3.964 20 0 DHADMM CSc1nc(Nc2cccnc2-c2ccccc2)cc(=O)[n-]1 ZINC001203647698 1037500608 /nfs/dbraw/zinc/50/06/08/1037500608.db2.gz XMQCKHBEMDFNSB-UHFFFAOYSA-N -1 1 310.382 3.710 20 0 DHADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(F)nc2)cc1 ZINC000152788271 1037584131 /nfs/dbraw/zinc/58/41/31/1037584131.db2.gz NBUZZOOQVKQVPI-LLVKDONJSA-N -1 1 308.378 3.535 20 0 DHADMM Cc1conc1[N-]C(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000123372921 1037720347 /nfs/dbraw/zinc/72/03/47/1037720347.db2.gz WVQKCCSEGMBEKO-UHFFFAOYSA-N -1 1 303.705 3.544 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC=CC12CCCC2 ZINC000913202709 1037751114 /nfs/dbraw/zinc/75/11/14/1037751114.db2.gz JEKWQZQUJPNDFH-UHFFFAOYSA-N -1 1 311.303 3.736 20 0 DHADMM CSc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000185334530 1037793889 /nfs/dbraw/zinc/79/38/89/1037793889.db2.gz ACGGJXPCWRWBPX-UHFFFAOYSA-N -1 1 307.440 3.826 20 0 DHADMM CC(C)(C)COc1ccc(F)cc1[N-]S(=O)(=O)C1CCC1 ZINC001188144210 1037826937 /nfs/dbraw/zinc/82/69/37/1037826937.db2.gz KONQXQAXOAJTJE-UHFFFAOYSA-N -1 1 315.410 3.545 20 0 DHADMM CC(C)(C)COc1c(F)cccc1[N-]S(=O)(=O)C1CCC1 ZINC001188145377 1037827947 /nfs/dbraw/zinc/82/79/47/1037827947.db2.gz ZISZNKDXEIQYFD-UHFFFAOYSA-N -1 1 315.410 3.545 20 0 DHADMM C[C@@H](C1CC1)N(C(=O)c1cnc(C2CC2)[n-]c1=O)c1ccccc1 ZINC000913432453 1037864222 /nfs/dbraw/zinc/86/42/22/1037864222.db2.gz RPIJHKLJDFEDON-LBPRGKRZSA-N -1 1 323.396 3.505 20 0 DHADMM O=S(=O)([N-]c1ccccc1Cl)c1c(F)cccc1Cl ZINC000125264324 1037928567 /nfs/dbraw/zinc/92/85/67/1037928567.db2.gz VMPHTLNVNGLYBA-UHFFFAOYSA-N -1 1 320.172 3.933 20 0 DHADMM O=S(=O)(CC1CC1)[N-]c1ccccc1Oc1ccccc1 ZINC001188964363 1038025380 /nfs/dbraw/zinc/02/53/80/1038025380.db2.gz VYCMNZMFAIWIJC-UHFFFAOYSA-N -1 1 303.383 3.631 20 0 DHADMM COc1ccc([C@@H](C)N(C)C(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000127065300 1038144760 /nfs/dbraw/zinc/14/47/60/1038144760.db2.gz UVFSZMPJMKUBCM-LLVKDONJSA-N -1 1 319.788 3.887 20 0 DHADMM Cc1[n-][nH]c(=O)c1NC(=O)CCCCCO[C@H]1CCC[C@@H](C)C1 ZINC000615223089 1038160227 /nfs/dbraw/zinc/16/02/27/1038160227.db2.gz YCZBDDLEUMVENM-OCCSQVGLSA-N -1 1 323.437 3.518 20 0 DHADMM COc1ccc2cc([C@H](C)C(=O)[N-]OC3CCCC3)ccc2c1 ZINC000775274027 1038173014 /nfs/dbraw/zinc/17/30/14/1038173014.db2.gz WEXURSNHFFCVNX-ZDUSSCGKSA-N -1 1 313.397 3.942 20 0 DHADMM Cc1ccc([O-])c(C(=O)c2cnn(-c3ccccc3Cl)c2)c1 ZINC000588309958 1038297842 /nfs/dbraw/zinc/29/78/42/1038297842.db2.gz NSLYJFOSPUSUEX-UHFFFAOYSA-N -1 1 312.756 3.771 20 0 DHADMM COc1cc(C(=O)Nc2c(C)cc(O)cc2C)cc(Cl)c1[O-] ZINC001191148650 1038449855 /nfs/dbraw/zinc/44/98/55/1038449855.db2.gz OOQQZSXDOFECAS-UHFFFAOYSA-N -1 1 321.760 3.629 20 0 DHADMM CSc1nc(NC(=O)Nc2ccc(Cl)c(C)c2)cc(=O)[n-]1 ZINC001191740408 1038541980 /nfs/dbraw/zinc/54/19/80/1038541980.db2.gz SWJPXUIJISIUQY-UHFFFAOYSA-N -1 1 324.793 3.510 20 0 DHADMM O=C(Nc1csc2cnccc12)c1c(F)ccc([O-])c1F ZINC001192524052 1038669355 /nfs/dbraw/zinc/66/93/55/1038669355.db2.gz JNIXNHIHGIAVCQ-UHFFFAOYSA-N -1 1 306.293 3.532 20 0 DHADMM O=C(Nc1cc(F)cc2cccnc21)c1cc([O-])cc(F)c1F ZINC001192670927 1038689852 /nfs/dbraw/zinc/68/98/52/1038689852.db2.gz QUOMDMBYGZHZLX-UHFFFAOYSA-N -1 1 318.254 3.610 20 0 DHADMM Cc1oc(-c2ccccc2)nc1C(=O)Nc1c([O-])cccc1F ZINC000605437951 1039681475 /nfs/dbraw/zinc/68/14/75/1039681475.db2.gz BUCZSMPJZZWZDC-UHFFFAOYSA-N -1 1 312.300 3.747 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1ccccc1Br ZINC000605440638 1039684880 /nfs/dbraw/zinc/68/48/80/1039684880.db2.gz XLIYFXCAMNMCHS-UHFFFAOYSA-N -1 1 310.122 3.546 20 0 DHADMM Cc1ccsc1S(=O)(=O)[N-]c1ccc(C)cc1Cl ZINC000607610566 1040206228 /nfs/dbraw/zinc/20/62/28/1040206228.db2.gz CCCDLAUNSSCION-UHFFFAOYSA-N -1 1 301.820 3.819 20 0 DHADMM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(C)c(O)c1 ZINC000608342620 1040460833 /nfs/dbraw/zinc/46/08/33/1040460833.db2.gz KODXSCOLRFRRIB-UHFFFAOYSA-N -1 1 319.426 3.626 20 0 DHADMM O=C(Nc1c([O-])cccc1F)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000608365381 1040473679 /nfs/dbraw/zinc/47/36/79/1040473679.db2.gz DZKQETTYXOWVGZ-BDAKNGLRSA-N -1 1 307.271 3.552 20 0 DHADMM CCSCCCc1noc(Cc2ccc([O-])c(Cl)c2)n1 ZINC000601374470 1040613461 /nfs/dbraw/zinc/61/34/61/1040613461.db2.gz UGZBWGGWLTXPNX-UHFFFAOYSA-N -1 1 312.822 3.705 20 0 DHADMM CC(C)[C@@H]1N(C(=O)c2c(F)ccc([O-])c2F)CC12CCCC2 ZINC000457103916 1041023198 /nfs/dbraw/zinc/02/31/98/1041023198.db2.gz BFZAQQNZVOUCHE-HNNXBMFYSA-N -1 1 309.356 3.711 20 0 DHADMM CCc1nc(CNCc2ccc(C)c(Cl)c2)ccc1C(=O)[O-] ZINC000417555039 334968198 /nfs/dbraw/zinc/96/81/98/334968198.db2.gz DHKFFQVLTAXCGI-UHFFFAOYSA-N -1 1 318.804 3.594 20 0 DHADMM CC(C)c1cnc(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])s1 ZINC000417566030 334990577 /nfs/dbraw/zinc/99/05/77/334990577.db2.gz QPHHIAXVMZXJGO-LRDDRELGSA-N -1 1 318.442 3.818 20 0 DHADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1 ZINC000006316334 181329366 /nfs/dbraw/zinc/32/93/66/181329366.db2.gz XUMYNIJETHKVLF-UHFFFAOYSA-N -1 1 317.410 3.813 20 0 DHADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000016101232 182034228 /nfs/dbraw/zinc/03/42/28/182034228.db2.gz BYOYYVREIHRUTK-UHFFFAOYSA-N -1 1 317.410 3.561 20 0 DHADMM O=C([O-])c1ccc(CNCc2cccc(Cl)c2)nc1C1CC1 ZINC000417694941 335053881 /nfs/dbraw/zinc/05/38/81/335053881.db2.gz ANXPSXCOOQEHQE-UHFFFAOYSA-N -1 1 316.788 3.600 20 0 DHADMM O=C([O-])[C@@H]1CC12CCN(Cc1c(Cl)cccc1Cl)CC2 ZINC000405378045 335060292 /nfs/dbraw/zinc/06/02/92/335060292.db2.gz VHVWWYSLQBDMKW-NSHDSACASA-N -1 1 314.212 3.680 20 0 DHADMM Cc1c(C(=O)Nc2ccc(F)cc2[O-])cnn1C1CCCCC1 ZINC000272879667 130070687 /nfs/dbraw/zinc/07/06/87/130070687.db2.gz XYGFHTFZRMDHDI-UHFFFAOYSA-N -1 1 317.364 3.794 20 0 DHADMM CN(Cc1nc(=O)c2sccc2[n-]1)[C@@H]1C=CCCCCC1 ZINC000284014670 131041114 /nfs/dbraw/zinc/04/11/14/131041114.db2.gz OAAQHTLOZNPXED-GFCCVEGCSA-N -1 1 303.431 3.718 20 0 DHADMM CC(C)[C@H]1OCC[C@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000289131958 131360905 /nfs/dbraw/zinc/36/09/05/131360905.db2.gz REYVWEMHEDKEDA-DGCLKSJQSA-N -1 1 308.765 3.624 20 0 DHADMM CC1CCC(OCc2nc(-c3ccc([O-])c(F)c3)no2)CC1 ZINC000289167311 131362709 /nfs/dbraw/zinc/36/27/09/131362709.db2.gz VDYHMGYOPRSDBY-UHFFFAOYSA-N -1 1 306.337 3.677 20 0 DHADMM Cc1cc(C)c(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)c(C)c1 ZINC000417714422 335070212 /nfs/dbraw/zinc/07/02/12/335070212.db2.gz ZTIAMCJCSSKAPS-UHFFFAOYSA-N -1 1 324.424 3.872 20 0 DHADMM Cc1cc(C)cc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)c1 ZINC000417714540 335070230 /nfs/dbraw/zinc/07/02/30/335070230.db2.gz ZZGFSQZVQSDEIF-UHFFFAOYSA-N -1 1 310.397 3.564 20 0 DHADMM COc1cc(C(=O)NC[C@@H]2CCCC[C@@H]2C)cc(Cl)c1[O-] ZINC000442952798 338439963 /nfs/dbraw/zinc/43/99/63/338439963.db2.gz UHTPJJZTNMDJJM-QWRGUYRKSA-N -1 1 311.809 3.610 20 0 DHADMM CN1CCN(C(=O)c2ccc3ccccc3c2[O-])c2ccccc21 ZINC000391723447 335083566 /nfs/dbraw/zinc/08/35/66/335083566.db2.gz KKODUXNETDSZRE-UHFFFAOYSA-N -1 1 318.376 3.642 20 0 DHADMM O=C(Nc1cc(C2CCCCC2)[nH]n1)c1cc(F)ccc1[O-] ZINC000622415922 430610724 /nfs/dbraw/zinc/61/07/24/430610724.db2.gz OOBHTHFYZKANKH-UHFFFAOYSA-N -1 1 303.337 3.554 20 0 DHADMM CC[C@H](C)c1ccc(C(=O)CSc2ncc(C)c(=O)[n-]2)cc1 ZINC000570698063 332802983 /nfs/dbraw/zinc/80/29/83/332802983.db2.gz DDICRSWZACFHMP-NSHDSACASA-N -1 1 316.426 3.979 20 0 DHADMM CCOc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)c(C)c1 ZINC000174683928 332861777 /nfs/dbraw/zinc/86/17/77/332861777.db2.gz OSGFSCGNFVSWPZ-UHFFFAOYSA-N -1 1 323.389 3.642 20 0 DHADMM CC(=O)c1cc([N-]S(=O)(=O)c2cc(C)sc2C)ccc1C ZINC000570940322 332904868 /nfs/dbraw/zinc/90/48/68/332904868.db2.gz DWEZKADIMFDJIY-UHFFFAOYSA-N -1 1 323.439 3.677 20 0 DHADMM O=C(Nc1ccccc1OC(F)(F)F)c1cc(F)ccc1[O-] ZINC000317138836 331464740 /nfs/dbraw/zinc/46/47/40/331464740.db2.gz DZZOFRQQBOUKCC-UHFFFAOYSA-N -1 1 315.222 3.682 20 0 DHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2ccc3nc(C)ccc3c2)o1 ZINC000426769796 331960398 /nfs/dbraw/zinc/96/03/98/331960398.db2.gz LWRPXRNEDBMBGJ-KRWDZBQOSA-N -1 1 324.380 3.750 20 0 DHADMM CC1=C[C@H](C)CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000559053975 331968839 /nfs/dbraw/zinc/96/88/39/331968839.db2.gz PJKCWXCYUBUZBK-JTQLQIEISA-N -1 1 316.788 3.632 20 0 DHADMM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000131992548 332062845 /nfs/dbraw/zinc/06/28/45/332062845.db2.gz XYGJAKDEWHHWLX-RNFRBKRXSA-N -1 1 314.259 3.522 20 0 DHADMM CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000410398776 332123952 /nfs/dbraw/zinc/12/39/52/332123952.db2.gz BANMNCSVMPEKHV-UHFFFAOYSA-N -1 1 322.405 3.837 20 0 DHADMM Cc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)cc1 ZINC000426781709 332152776 /nfs/dbraw/zinc/15/27/76/332152776.db2.gz CWZOQMKXEAJKQV-INIZCTEOSA-N -1 1 305.324 3.579 20 0 DHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2cc(F)cc(Cl)c2)o1 ZINC000426783153 332152780 /nfs/dbraw/zinc/15/27/80/332152780.db2.gz IVLBFAFTVJQVEJ-CYBMUJFWSA-N -1 1 311.740 3.686 20 0 DHADMM COc1cccc([C@@H](CC(=O)[O-])NCc2ccccc2Cl)c1 ZINC000426788692 332153638 /nfs/dbraw/zinc/15/36/38/332153638.db2.gz OTLOMJRSKLFEAV-MRXNPFEDSA-N -1 1 319.788 3.654 20 0 DHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2cc(C)c3ncccc3c2)o1 ZINC000426790426 332153910 /nfs/dbraw/zinc/15/39/10/332153910.db2.gz DIFQZWIOCXNCFX-INIZCTEOSA-N -1 1 324.380 3.750 20 0 DHADMM COc1ccccc1CN[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000426803791 332155297 /nfs/dbraw/zinc/15/52/97/332155297.db2.gz PGKQHCZLGGPRPI-HNNXBMFYSA-N -1 1 319.788 3.654 20 0 DHADMM [O-]c1ccc(-c2noc(-c3nccc4ccccc43)n2)c(F)c1 ZINC000445465244 332390631 /nfs/dbraw/zinc/39/06/31/332390631.db2.gz XPBSDMANNJPTQL-UHFFFAOYSA-N -1 1 307.284 3.797 20 0 DHADMM O=C(N[C@@H](c1ccco1)c1ccccc1)c1c([O-])cccc1F ZINC000161384668 332670123 /nfs/dbraw/zinc/67/01/23/332670123.db2.gz XLWRQALMXLTDNZ-QGZVFWFLSA-N -1 1 311.312 3.644 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@H]1C1CCC1 ZINC000180504629 333028286 /nfs/dbraw/zinc/02/82/86/333028286.db2.gz WRPZRLYEBBXXDP-ZDUSSCGKSA-N -1 1 313.319 3.816 20 0 DHADMM O=C(Nc1ccc(Br)cc1)c1ccc([O-])cc1F ZINC000181094844 333029507 /nfs/dbraw/zinc/02/95/07/333029507.db2.gz YLDZXPMQRVTZDN-UHFFFAOYSA-N -1 1 310.122 3.546 20 0 DHADMM CC[C@@H](C)CN(CC)C(=O)c1cc(Br)ccc1[O-] ZINC000175812519 333105088 /nfs/dbraw/zinc/10/50/88/333105088.db2.gz KGBYWNDCZURLDP-SNVBAGLBSA-N -1 1 314.223 3.663 20 0 DHADMM CS[C@H]1CCC[C@H](NC(=O)c2ccc3ccccc3c2[O-])C1 ZINC000390266692 333255652 /nfs/dbraw/zinc/25/56/52/333255652.db2.gz XEEPWWGOLSQHAG-KBPBESRZSA-N -1 1 315.438 3.949 20 0 DHADMM CC(=O)c1cccc(NC(=O)c2c[nH]nc2-c2ccsc2)c1 ZINC000186989879 333383212 /nfs/dbraw/zinc/38/32/12/333383212.db2.gz CMVZXVXWFGJCCG-UHFFFAOYSA-N -1 1 311.366 3.593 20 0 DHADMM CCN(Cc1ccncc1)C(=O)c1ccc2ccccc2c1[O-] ZINC000390865003 333400952 /nfs/dbraw/zinc/40/09/52/333400952.db2.gz MLPUNXUCYPACQE-UHFFFAOYSA-N -1 1 306.365 3.603 20 0 DHADMM CCC[C@@H](NCc1ccc(-c2ccc(CC)cc2)o1)C(=O)[O-] ZINC000426699511 333524681 /nfs/dbraw/zinc/52/46/81/333524681.db2.gz JPIYEDKJWMUBBA-MRXNPFEDSA-N -1 1 301.386 3.852 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000531756437 333552469 /nfs/dbraw/zinc/55/24/69/333552469.db2.gz JUVIPLKGEHKZOZ-HNAYVOBHSA-N -1 1 311.356 3.764 20 0 DHADMM O=C(c1c(F)ccc([O-])c1F)N1CCc2c(Cl)cccc2C1 ZINC000343503102 335170197 /nfs/dbraw/zinc/17/01/97/335170197.db2.gz MISUEYFDSBLZTF-UHFFFAOYSA-N -1 1 323.726 3.522 20 0 DHADMM CC[C@H](C)N(CC(=O)[O-])Cc1ccc(-c2c(F)cccc2F)o1 ZINC000414683008 334068172 /nfs/dbraw/zinc/06/81/72/334068172.db2.gz OPLVGWTUAQGBCT-NSHDSACASA-N -1 1 323.339 3.910 20 0 DHADMM CCC[C@H]1C[C@H](c2nc(-c3ccc([O-])c(F)c3)no2)CCO1 ZINC000278276725 334094403 /nfs/dbraw/zinc/09/44/03/334094403.db2.gz VWBWAJCHQNTBRX-NEPJUHHUSA-N -1 1 306.337 3.644 20 0 DHADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000048652843 334291045 /nfs/dbraw/zinc/29/10/45/334291045.db2.gz YLMHBAJUUGPJHJ-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000303957697 334349752 /nfs/dbraw/zinc/34/97/52/334349752.db2.gz VNTPCSMCHPWRFX-UHFFFAOYSA-N -1 1 315.316 3.522 20 0 DHADMM COc1cc(C(=O)N2CC[C@H](C(C)(C)C)C2)cc(Cl)c1[O-] ZINC000443132321 338445347 /nfs/dbraw/zinc/44/53/47/338445347.db2.gz KZSUWPOLSBCMRX-NSHDSACASA-N -1 1 311.809 3.562 20 0 DHADMM COc1cc(C(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)cc(Cl)c1[O-] ZINC000443138816 338445349 /nfs/dbraw/zinc/44/53/49/338445349.db2.gz VHFZDVZQUDVNLJ-PIGZYNQJSA-N -1 1 323.820 3.707 20 0 DHADMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(SC)c2)c1 ZINC000443408042 338450971 /nfs/dbraw/zinc/45/09/71/338450971.db2.gz RTUAXJIVWGLQFP-UHFFFAOYSA-N -1 1 323.439 3.608 20 0 DHADMM CCOc1cc(C(=O)N2C[C@H](C)[C@H](C)[C@@H]2C)cc(Cl)c1[O-] ZINC000416319421 334663030 /nfs/dbraw/zinc/66/30/30/334663030.db2.gz NAHCWWUSWOTXNC-DCAQKATOSA-N -1 1 311.809 3.561 20 0 DHADMM CCOc1ccc(F)c([N-]C(=O)c2c(F)cccc2F)c1F ZINC000535482906 334736342 /nfs/dbraw/zinc/73/63/42/334736342.db2.gz KMPJSCGOERUYPL-UHFFFAOYSA-N -1 1 313.250 3.894 20 0 DHADMM O=C(CSc1ccc(Br)cn1)c1ccc([O-])cc1 ZINC000070213609 334806957 /nfs/dbraw/zinc/80/69/57/334806957.db2.gz OEKLADWOQIITQE-UHFFFAOYSA-N -1 1 324.199 3.525 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cccc4cnccc43)n2)cc1F ZINC000445477259 338496125 /nfs/dbraw/zinc/49/61/25/338496125.db2.gz BPNVWZKOFIFPBH-UHFFFAOYSA-N -1 1 307.284 3.797 20 0 DHADMM Cc1ccccc1C1(c2nc(-c3ccc([O-])c(F)c3)no2)CC1 ZINC000445483056 338496412 /nfs/dbraw/zinc/49/64/12/338496412.db2.gz UXANSWAOSCYHDU-UHFFFAOYSA-N -1 1 310.328 3.970 20 0 DHADMM Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(F)cc1[O-] ZINC000536215111 335832277 /nfs/dbraw/zinc/83/22/77/335832277.db2.gz ZOQRDHZWBJFDCT-UHFFFAOYSA-N -1 1 309.724 3.511 20 0 DHADMM CCC1(c2noc(-c3cc(NC(C)=O)ccc3[O-])n2)CCCC1 ZINC000445784342 338508843 /nfs/dbraw/zinc/50/88/43/338508843.db2.gz RYTDDCIEWAVEHD-UHFFFAOYSA-N -1 1 315.373 3.622 20 0 DHADMM O=C(Nc1cc(F)ccc1OCC1CC1)c1ccc([O-])cc1F ZINC000192178806 336018130 /nfs/dbraw/zinc/01/81/30/336018130.db2.gz OTKZZDQWUTZCGQ-UHFFFAOYSA-N -1 1 319.307 3.712 20 0 DHADMM COc1cc(C(=O)N[C@H]2CCC[C@H](C)CC2)cc(Cl)c1[O-] ZINC000332345720 336169401 /nfs/dbraw/zinc/16/94/01/336169401.db2.gz QMUYOJSKDGJEOA-JQWIXIFHSA-N -1 1 311.809 3.753 20 0 DHADMM Cc1ccc(Br)cc1NC(=O)c1ccccc1[O-] ZINC000037415510 336239199 /nfs/dbraw/zinc/23/91/99/336239199.db2.gz NHWADXNBEKSDCY-UHFFFAOYSA-N -1 1 306.159 3.715 20 0 DHADMM Cc1ccc(-c2n[nH]c(NC(=O)c3cccc(Cl)c3C)n2)o1 ZINC000192820254 336264183 /nfs/dbraw/zinc/26/41/83/336264183.db2.gz JDLFJPFGLAGSSZ-UHFFFAOYSA-N -1 1 316.748 3.587 20 0 DHADMM COc1cccc(-c2noc([N-][C@H](C)c3nc(C)cs3)n2)c1 ZINC000301417279 336305386 /nfs/dbraw/zinc/30/53/86/336305386.db2.gz RFNFEIFNUAQOHO-SNVBAGLBSA-N -1 1 316.386 3.683 20 0 DHADMM Cc1ccc(-n2cc([N-]c3nc(C4CC4)ns3)cn2)c(C)c1 ZINC000302735859 336367229 /nfs/dbraw/zinc/36/72/29/336367229.db2.gz ZKCBFUVRYGSADF-UHFFFAOYSA-N -1 1 311.414 3.962 20 0 DHADMM [O-]c1cccc(CNc2c[nH]nc2-c2nccs2)c1Cl ZINC000353224066 336407114 /nfs/dbraw/zinc/40/71/14/336407114.db2.gz BEIWXOJHNZZDFA-UHFFFAOYSA-N -1 1 306.778 3.504 20 0 DHADMM Cc1cc(NC(=O)c2cncc([O-])c2)ccc1Oc1ccncc1 ZINC000355494211 336511730 /nfs/dbraw/zinc/51/17/30/336511730.db2.gz UACKDNJXLOLERG-UHFFFAOYSA-N -1 1 321.336 3.535 20 0 DHADMM O=S(=O)([N-]c1ccc2c(c1)CCC2)c1cccc2ncccc21 ZINC000357036683 336571372 /nfs/dbraw/zinc/57/13/72/336571372.db2.gz IIAMHLAWRBPPFW-UHFFFAOYSA-N -1 1 324.405 3.524 20 0 DHADMM CCOc1cc(C(=O)N2CCCCC[C@H]2C)cc(Cl)c1[O-] ZINC000358102960 336611741 /nfs/dbraw/zinc/61/17/41/336611741.db2.gz CALWPBIOMGYROK-LLVKDONJSA-N -1 1 311.809 3.849 20 0 DHADMM CSc1nsc([N-]C(=O)c2scc(C)c2Cl)n1 ZINC000361688275 336768695 /nfs/dbraw/zinc/76/86/95/336768695.db2.gz VAIFCIWZKMUPOD-UHFFFAOYSA-N -1 1 305.837 3.536 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1COc2ccc(Cl)cc21 ZINC000372817148 336940744 /nfs/dbraw/zinc/94/07/44/336940744.db2.gz GFTGRQVBLYSHTI-NSHDSACASA-N -1 1 324.163 3.814 20 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XBBPBCQAGBLUHR-KRWDZBQOSA-N -1 1 322.474 3.878 20 0 DHADMM CC[C@@H](OC1CCCC1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000420494404 337503573 /nfs/dbraw/zinc/50/35/73/337503573.db2.gz RBUAFUYLPOPHCA-CQSZACIVSA-N -1 1 306.337 3.992 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)cc1 ZINC000527489725 337745762 /nfs/dbraw/zinc/74/57/62/337745762.db2.gz BWCFRCYZGKYUMZ-UHFFFAOYSA-N -1 1 314.410 3.542 20 0 DHADMM CC(C)CN(C(=O)c1ccc(Br)cc1[O-])C(C)C ZINC000044491230 337809960 /nfs/dbraw/zinc/80/99/60/337809960.db2.gz OLIKMQCXUQEPJP-UHFFFAOYSA-N -1 1 314.223 3.661 20 0 DHADMM CC(C)c1cc(-c2nc(-c3ccc([O-])cc3Cl)no2)no1 ZINC000445449032 337858835 /nfs/dbraw/zinc/85/88/35/337858835.db2.gz NFGUZRDAOYDMTM-UHFFFAOYSA-N -1 1 305.721 3.874 20 0 DHADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c1 ZINC000058016213 337868212 /nfs/dbraw/zinc/86/82/12/337868212.db2.gz YDJWBXDEBJRAMQ-UHFFFAOYSA-N -1 1 317.410 3.635 20 0 DHADMM C[C@@H](c1cccnc1)N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000122111396 337907406 /nfs/dbraw/zinc/90/74/06/337907406.db2.gz UTPCKDIWBIRVEJ-ZDUSSCGKSA-N -1 1 306.365 3.774 20 0 DHADMM CC[C@@H](Sc1nc(C)c(C)c(=O)[n-]1)C(=O)c1ccccc1 ZINC000537417101 337934269 /nfs/dbraw/zinc/93/42/69/337934269.db2.gz PLQFHOFHJQIQHL-CYBMUJFWSA-N -1 1 302.399 3.553 20 0 DHADMM Cc1ccc2oc(-c3nc(-c4ccc([O-])cc4F)no3)cc2n1 ZINC000445453221 338016878 /nfs/dbraw/zinc/01/68/78/338016878.db2.gz AURJMBDBCYBBFF-UHFFFAOYSA-N -1 1 311.272 3.698 20 0 DHADMM C[C@H](COc1ccccc1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445454964 338017263 /nfs/dbraw/zinc/01/72/63/338017263.db2.gz BPCNFJIDQNAYHB-LLVKDONJSA-N -1 1 314.316 3.764 20 0 DHADMM [O-]c1ccc(-c2noc(CCSc3ccccc3)n2)c(F)c1 ZINC000445458227 338017960 /nfs/dbraw/zinc/01/79/60/338017960.db2.gz XBOIXUPHVXMUIS-UHFFFAOYSA-N -1 1 316.357 3.916 20 0 DHADMM C[C@@H](c1nc(-c2ccc([O-])cc2F)no1)c1cccc(F)c1 ZINC000445458480 338018092 /nfs/dbraw/zinc/01/80/92/338018092.db2.gz YBACKAFFLWYAPY-SECBINFHSA-N -1 1 302.280 3.872 20 0 DHADMM [O-]c1ccc(-c2noc(C3=Cc4ccccc4OC3)n2)c(F)c1 ZINC000445457453 338018245 /nfs/dbraw/zinc/01/82/45/338018245.db2.gz SFPJNSRPUGLFPW-UHFFFAOYSA-N -1 1 310.284 3.514 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cc4c(cccc4F)[nH]3)n2)c(F)c1 ZINC000445457372 338018268 /nfs/dbraw/zinc/01/82/68/338018268.db2.gz MXTASMNGGCMUJU-UHFFFAOYSA-N -1 1 313.263 3.869 20 0 DHADMM [O-]c1ccc(-c2noc(CCc3cccc(F)c3F)n2)c(F)c1 ZINC000445459947 338018743 /nfs/dbraw/zinc/01/87/43/338018743.db2.gz KIGRMVOHEIVXLR-UHFFFAOYSA-N -1 1 320.270 3.645 20 0 DHADMM Cc1cnc(C(=O)N2CCC[C@H]2c2cccc(Cl)c2)c([O-])c1 ZINC000426631496 338036633 /nfs/dbraw/zinc/03/66/33/338036633.db2.gz YFPMENOKEDTQMG-AWEZNQCLSA-N -1 1 316.788 3.726 20 0 DHADMM O=C([O-])C[C@H](NCc1cccc(Cl)c1F)c1ccsc1 ZINC000426689659 338038258 /nfs/dbraw/zinc/03/82/58/338038258.db2.gz WBSAZYAYKQHHQQ-LBPRGKRZSA-N -1 1 313.781 3.846 20 0 DHADMM [O-]c1ccc(-c2noc(/C=C\c3nc4ccccc4o3)n2)c(F)c1 ZINC000445464270 338038546 /nfs/dbraw/zinc/03/85/46/338038546.db2.gz STFKKNJKODJMPF-FPLPWBNLSA-N -1 1 323.283 3.893 20 0 DHADMM O=C([O-])[C@@H](NCc1cc(F)ccc1F)c1cccc(Cl)c1 ZINC000426731400 338039762 /nfs/dbraw/zinc/03/97/62/338039762.db2.gz DZDIZCFFNSDBMI-AWEZNQCLSA-N -1 1 311.715 3.534 20 0 DHADMM O=C(Nc1ccc(Cl)cc1[O-])C(=O)c1ccc(Cl)s1 ZINC000430261011 338102567 /nfs/dbraw/zinc/10/25/67/338102567.db2.gz UVWSBNFTFZFPCR-UHFFFAOYSA-N -1 1 316.165 3.582 20 0 DHADMM O=C(Nc1cc(Cl)ccc1O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431734785 338137698 /nfs/dbraw/zinc/13/76/98/338137698.db2.gz XNNASKIOLWVEPA-OAHLLOKOSA-N -1 1 322.836 3.781 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc3cnccc32)c(C)c1 ZINC000448548972 338215094 /nfs/dbraw/zinc/21/50/94/338215094.db2.gz LNQKVYJITKNOAQ-UHFFFAOYSA-N -1 1 312.394 3.652 20 0 DHADMM CC[C@@H](C)c1ncc(NC(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000434538345 338219764 /nfs/dbraw/zinc/21/97/64/338219764.db2.gz RFRRIVRSUQPMOG-SECBINFHSA-N -1 1 320.780 3.993 20 0 DHADMM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000434630768 338221866 /nfs/dbraw/zinc/22/18/66/338221866.db2.gz MOQWMXJBPNFHFH-UHFFFAOYSA-N -1 1 319.426 3.730 20 0 DHADMM CCc1cccc(S(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)c1 ZINC000436149534 338259713 /nfs/dbraw/zinc/25/97/13/338259713.db2.gz BFQTVWPRRISGAS-UHFFFAOYSA-N -1 1 314.410 3.840 20 0 DHADMM CC[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)c1ccccc1 ZINC000436244037 338263209 /nfs/dbraw/zinc/26/32/09/338263209.db2.gz JEPFDPMGYZWAJP-CQSZACIVSA-N -1 1 314.410 3.813 20 0 DHADMM O=c1cc(C2CC2)nc(SCc2ccccc2OC(F)F)[n-]1 ZINC000436248920 338263600 /nfs/dbraw/zinc/26/36/00/338263600.db2.gz YTCJQXOMZSAMCT-UHFFFAOYSA-N -1 1 324.352 3.953 20 0 DHADMM CC(C)(C)OC(=O)CCCCSc1nc(C2CC2)cc(=O)[n-]1 ZINC000436261028 338264211 /nfs/dbraw/zinc/26/42/11/338264211.db2.gz ODMMDKQFDQPWJS-UHFFFAOYSA-N -1 1 324.446 3.664 20 0 DHADMM CCC(CC)N(CC)C(=O)c1ccc(Br)cc1[O-] ZINC000436766654 338286312 /nfs/dbraw/zinc/28/63/12/338286312.db2.gz DXEGRQCZYQBDHZ-UHFFFAOYSA-N -1 1 314.223 3.805 20 0 DHADMM C[C@H]1C[C@@]1(NC(=O)c1ccc([O-])cc1F)c1ccc(Cl)cc1 ZINC000436516883 338274789 /nfs/dbraw/zinc/27/47/89/338274789.db2.gz XNOSYOACIHSXDG-BTDLBPIBSA-N -1 1 319.763 3.850 20 0 DHADMM CC(C)(C)n1cc(NC(=O)c2ccc3ccccc3c2[O-])cn1 ZINC000436540869 338276197 /nfs/dbraw/zinc/27/61/97/338276197.db2.gz RCVXVHAEJCIRCI-UHFFFAOYSA-N -1 1 309.369 3.749 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2cccc(-c3nc[nH]n3)c2)c([O-])c1 ZINC000436547686 338276421 /nfs/dbraw/zinc/27/64/21/338276421.db2.gz AMXPBYSGYIMOKP-UHFFFAOYSA-N -1 1 322.368 3.553 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@H](c2cccc(F)c2)C1 ZINC000436569560 338277620 /nfs/dbraw/zinc/27/76/20/338277620.db2.gz GBLFZIDLRGHOQS-LBPRGKRZSA-N -1 1 319.763 3.814 20 0 DHADMM CC(C)[C@H](CNC(=O)c1ccc(Cl)cc1[O-])c1cccnc1 ZINC000436585854 338278639 /nfs/dbraw/zinc/27/86/39/338278639.db2.gz RGQDNTSPQYYUEP-HNNXBMFYSA-N -1 1 318.804 3.610 20 0 DHADMM O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1c([O-])cccc1F ZINC000436615139 338280138 /nfs/dbraw/zinc/28/01/38/338280138.db2.gz CGJATYXSFCRBRY-NXEZZACHSA-N -1 1 319.298 3.630 20 0 DHADMM O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1c([O-])cccc1F ZINC000436615142 338280205 /nfs/dbraw/zinc/28/02/05/338280205.db2.gz CGJATYXSFCRBRY-ZJUUUORDSA-N -1 1 319.298 3.630 20 0 DHADMM O=C(Nc1cccc(OC2CCCC2)c1)c1ccc(O)cc1[O-] ZINC000436673743 338282321 /nfs/dbraw/zinc/28/23/21/338282321.db2.gz LLEJNCGRGCZUIF-UHFFFAOYSA-N -1 1 313.353 3.672 20 0 DHADMM C[C@H](NC(=O)c1c([O-])cccc1F)c1ccc2ncsc2c1 ZINC000436678959 338282560 /nfs/dbraw/zinc/28/25/60/338282560.db2.gz DRLMLLLZBHOEPM-VIFPVBQESA-N -1 1 316.357 3.632 20 0 DHADMM CCC1CCC(N(C(=O)C(=O)c2ccc([O-])cc2)C2CC2)CC1 ZINC000436684266 338282740 /nfs/dbraw/zinc/28/27/40/338282740.db2.gz ZQBUMQYNQDDPGJ-UHFFFAOYSA-N -1 1 315.413 3.535 20 0 DHADMM O=C(N[C@H]1CCc2c1cccc2O)c1cc2ccccc2cc1[O-] ZINC000436687750 338282755 /nfs/dbraw/zinc/28/27/55/338282755.db2.gz JAZAGXQRDJTMJU-KRWDZBQOSA-N -1 1 319.360 3.668 20 0 DHADMM O=C(N[C@@H]1CCc2c1cccc2O)c1cc2ccccc2cc1[O-] ZINC000436687751 338282828 /nfs/dbraw/zinc/28/28/28/338282828.db2.gz JAZAGXQRDJTMJU-QGZVFWFLSA-N -1 1 319.360 3.668 20 0 DHADMM CC(C)Cn1ncc(NC(=O)c2ccc([O-])cc2F)c1C1CC1 ZINC000436737185 338284885 /nfs/dbraw/zinc/28/48/85/338284885.db2.gz IKDMWZPGYFGCEI-UHFFFAOYSA-N -1 1 317.364 3.514 20 0 DHADMM O=C(NC1CC(C(F)(F)F)C1)c1cc2ccccc2cc1[O-] ZINC000436737140 338284911 /nfs/dbraw/zinc/28/49/11/338284911.db2.gz IQFWSOOIXLGGJG-UHFFFAOYSA-N -1 1 309.287 3.616 20 0 DHADMM O=C(NCCCc1cccc(F)c1)c1ccc(Cl)cc1[O-] ZINC000436744676 338285150 /nfs/dbraw/zinc/28/51/50/338285150.db2.gz OOFPMLGTWHLQFF-UHFFFAOYSA-N -1 1 307.752 3.547 20 0 DHADMM CC[C@H](C)CN(CC)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436751711 338285341 /nfs/dbraw/zinc/28/53/41/338285341.db2.gz NHIIZBDAJYPHJP-JTQLQIEISA-N -1 1 303.324 3.919 20 0 DHADMM Cn1cccc1[C@H]1CCCCCN1C(=O)c1cc(F)ccc1[O-] ZINC000436756578 338285753 /nfs/dbraw/zinc/28/57/53/338285753.db2.gz RQMQLCVRKDJITJ-MRXNPFEDSA-N -1 1 316.376 3.627 20 0 DHADMM Cc1ccc(C)c([C@@H](C)N(C)C(=O)c2cc(F)ccc2[O-])c1 ZINC000436757851 338285914 /nfs/dbraw/zinc/28/59/14/338285914.db2.gz XWOZKMVOYPBQRT-CYBMUJFWSA-N -1 1 301.361 3.981 20 0 DHADMM O=C(Nc1ccc2oc(C3CC3)nc2c1)c1cc(F)ccc1[O-] ZINC000436760975 338286081 /nfs/dbraw/zinc/28/60/81/338286081.db2.gz GMJVDXUNOKOHBS-UHFFFAOYSA-N -1 1 312.300 3.802 20 0 DHADMM O=C(Nc1ccc2n[nH]cc2c1)c1cc2ccccc2cc1[O-] ZINC000436784452 338287254 /nfs/dbraw/zinc/28/72/54/338287254.db2.gz QFMMVSLZHDMREF-UHFFFAOYSA-N -1 1 303.321 3.674 20 0 DHADMM CCC1(CC)CN(C(=O)c2cc(Cl)ccc2[O-])CCS1 ZINC000436805928 338287931 /nfs/dbraw/zinc/28/79/31/338287931.db2.gz UEOURKOIXQLTON-UHFFFAOYSA-N -1 1 313.850 3.793 20 0 DHADMM Cc1ccc(NC(=O)c2ccc([O-])cc2F)cc1OC(C)C ZINC000436821136 338288644 /nfs/dbraw/zinc/28/86/44/338288644.db2.gz UVOBKYAVVYRKQM-UHFFFAOYSA-N -1 1 303.333 3.879 20 0 DHADMM C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000436827438 338288865 /nfs/dbraw/zinc/28/88/65/338288865.db2.gz NUUGRLSTAWLSHV-QMTHXVAHSA-N -1 1 323.314 3.958 20 0 DHADMM C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436829004 338289068 /nfs/dbraw/zinc/28/90/68/338289068.db2.gz RJAQTKYVNRFPRD-IINYFYTJSA-N -1 1 323.314 3.958 20 0 DHADMM Cc1cccc([C@H]2CCN(C(=O)c3cc(Cl)ccc3[O-])C2)c1 ZINC000436852164 338289930 /nfs/dbraw/zinc/28/99/30/338289930.db2.gz NXNQJSBEISHXAJ-AWEZNQCLSA-N -1 1 315.800 3.984 20 0 DHADMM CCc1ccc([C@@H]2CCN(C(=O)c3cc(F)ccc3[O-])C2)cc1 ZINC000436856035 338290038 /nfs/dbraw/zinc/29/00/38/338290038.db2.gz XAWNJLCPQCQQTK-OAHLLOKOSA-N -1 1 313.372 3.723 20 0 DHADMM [O-]c1ccc(-c2noc(CC3(C(F)(F)F)CC3)n2)c(Cl)c1 ZINC000436870211 338290826 /nfs/dbraw/zinc/29/08/26/338290826.db2.gz GWWINXQVGDPJMA-UHFFFAOYSA-N -1 1 318.682 3.981 20 0 DHADMM Cc1nc(CC(C)C)oc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436877224 338291320 /nfs/dbraw/zinc/29/13/20/338291320.db2.gz FGTZRTGTHHITQM-UHFFFAOYSA-N -1 1 317.320 3.743 20 0 DHADMM O=C(c1ccc(Cl)s1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436880740 338291634 /nfs/dbraw/zinc/29/16/34/338291634.db2.gz SCDDYLNABXQENZ-UHFFFAOYSA-N -1 1 324.720 3.527 20 0 DHADMM Cc1ncccc1-c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000436886703 338291691 /nfs/dbraw/zinc/29/16/91/338291691.db2.gz NQSCSORYGIJORB-UHFFFAOYSA-N -1 1 303.321 3.966 20 0 DHADMM CCCCCN(CCCCC)C(=O)C(=O)c1ccc([O-])cc1 ZINC000436904469 338292978 /nfs/dbraw/zinc/29/29/78/338292978.db2.gz WRFAVUFSUTUTAJ-UHFFFAOYSA-N -1 1 305.418 3.784 20 0 DHADMM C[C@H](Oc1ccccc1)c1noc(-c2cc(F)ccc2[O-])n1 ZINC000436928629 338294095 /nfs/dbraw/zinc/29/40/95/338294095.db2.gz BQTCKAOWLOLXAQ-JTQLQIEISA-N -1 1 300.289 3.721 20 0 DHADMM O=C(NCc1cc2ccccc2s1)c1c([O-])cccc1F ZINC000436947000 338295338 /nfs/dbraw/zinc/29/53/38/338295338.db2.gz YMXXDODBWOIZAR-UHFFFAOYSA-N -1 1 301.342 3.676 20 0 DHADMM CC[C@H](NC(=O)c1c([O-])cccc1F)c1ccc(F)cc1F ZINC000436951224 338295627 /nfs/dbraw/zinc/29/56/27/338295627.db2.gz XNJFVSQWNYCRIA-ZDUSSCGKSA-N -1 1 309.287 3.691 20 0 DHADMM O=C(NC[C@H]1CCC(F)(F)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000437006513 338297573 /nfs/dbraw/zinc/29/75/73/338297573.db2.gz XWQQZFJHUDYMGD-QMMMGPOBSA-N -1 1 323.261 3.576 20 0 DHADMM CCOc1cc(C(=O)NCC(C)(C)C(C)C)cc(Cl)c1[O-] ZINC000438388733 338342457 /nfs/dbraw/zinc/34/24/57/338342457.db2.gz CKBJCNQPZGXEKK-UHFFFAOYSA-N -1 1 313.825 3.856 20 0 DHADMM CCOCc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000438726256 338351200 /nfs/dbraw/zinc/35/12/00/338351200.db2.gz PYYSQZQSHXVYJN-UHFFFAOYSA-N -1 1 319.426 3.641 20 0 DHADMM O=C(Nc1ccc(C(F)(F)F)cc1)c1c(F)ccc([O-])c1F ZINC000438764661 338351949 /nfs/dbraw/zinc/35/19/49/338351949.db2.gz LAKRDBCZMOMLMB-UHFFFAOYSA-N -1 1 317.213 3.942 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1OC(C)C ZINC000447266623 338547824 /nfs/dbraw/zinc/54/78/24/338547824.db2.gz XTOAFYPMNCLHDE-UHFFFAOYSA-N -1 1 323.389 3.722 20 0 DHADMM CCc1cc(=O)[n-]c(S[C@H](CC)c2ccc(F)cc2F)n1 ZINC000195077283 338851902 /nfs/dbraw/zinc/85/19/02/338851902.db2.gz CEBRGLKDSNVZTO-CYBMUJFWSA-N -1 1 310.369 3.854 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000456779943 338940365 /nfs/dbraw/zinc/94/03/65/338940365.db2.gz AQDZPDBBLXYCAA-JGVFFNPUSA-N -1 1 323.261 3.978 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)c1ccn(C2CCCCC2)n1 ZINC000456789677 338940819 /nfs/dbraw/zinc/94/08/19/338940819.db2.gz VDLYGBOJHJWMJA-UHFFFAOYSA-N -1 1 321.327 3.624 20 0 DHADMM Cc1cnc(C(=O)N(C)CCc2cccc3ccccc32)c([O-])c1 ZINC000460194078 339018580 /nfs/dbraw/zinc/01/85/80/339018580.db2.gz DRWYOTXQILMHKI-UHFFFAOYSA-N -1 1 320.392 3.564 20 0 DHADMM Cc1ccc([C@H]2CCCCN2C(=O)c2ncc(C)cc2[O-])cc1 ZINC000460277187 339054168 /nfs/dbraw/zinc/05/41/68/339054168.db2.gz PXOCTGXRUGXADX-MRXNPFEDSA-N -1 1 310.397 3.771 20 0 DHADMM CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1ccc([O-])c(Cl)c1 ZINC000463026527 339101396 /nfs/dbraw/zinc/10/13/96/339101396.db2.gz ZIHYSOVYZLICPI-HNNXBMFYSA-N -1 1 322.836 3.589 20 0 DHADMM Cc1cnc(CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)cn1 ZINC000467205774 339228165 /nfs/dbraw/zinc/22/81/65/339228165.db2.gz JBURAYXBQZMFJA-UHFFFAOYSA-N -1 1 324.409 3.548 20 0 DHADMM CC(C)c1cc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)[nH]n1 ZINC000469985491 339306834 /nfs/dbraw/zinc/30/68/34/339306834.db2.gz XIXJDAJBJWJRQE-UHFFFAOYSA-N -1 1 321.446 3.631 20 0 DHADMM CCCCn1ncc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1C ZINC000486918628 339738123 /nfs/dbraw/zinc/73/81/23/339738123.db2.gz AYYXEIZWAVZHCW-UHFFFAOYSA-N -1 1 322.796 3.995 20 0 DHADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)cc1 ZINC000504230048 340143421 /nfs/dbraw/zinc/14/34/21/340143421.db2.gz LVDMHJPYDFUYBH-UHFFFAOYSA-N -1 1 323.389 3.630 20 0 DHADMM COc1ccc(CN(C)Cc2cccc([O-])c2Cl)c(OC)c1 ZINC000506963388 340204417 /nfs/dbraw/zinc/20/44/17/340204417.db2.gz RLOPWAQFVYANGC-UHFFFAOYSA-N -1 1 321.804 3.695 20 0 DHADMM [O-]c1cccc(CN2CCc3c(F)ccc(F)c3C2)c1Cl ZINC000508890409 340255325 /nfs/dbraw/zinc/25/53/25/340255325.db2.gz QFHNKXKPKVYFTD-UHFFFAOYSA-N -1 1 309.743 3.882 20 0 DHADMM CCc1nc([C@@H](C)NC(=O)c2cc(Cl)ccc2[O-])cs1 ZINC000303487259 340327640 /nfs/dbraw/zinc/32/76/40/340327640.db2.gz LFRDAXDXRYPTAS-MRVPVSSYSA-N -1 1 310.806 3.556 20 0 DHADMM [O-]c1cccc(CN2CCO[C@H](C3CCCCC3)C2)c1Cl ZINC000512477989 340363322 /nfs/dbraw/zinc/36/33/22/340363322.db2.gz AYNVCJQMSOYUKX-INIZCTEOSA-N -1 1 309.837 3.827 20 0 DHADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1 ZINC000007053344 340462032 /nfs/dbraw/zinc/46/20/32/340462032.db2.gz ZVJSSNDOFVJGBQ-UHFFFAOYSA-N -1 1 317.410 3.615 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)cc1C ZINC000194158017 340589636 /nfs/dbraw/zinc/58/96/36/340589636.db2.gz URDCWEAWVYGDMJ-UHFFFAOYSA-N -1 1 318.423 3.714 20 0 DHADMM CCC[C@H](C(=O)Nc1c(C)[n-][nH]c1=O)c1cccc(Cl)c1 ZINC000529421433 340754979 /nfs/dbraw/zinc/75/49/79/340754979.db2.gz LXVARLFZCTURRV-LBPRGKRZSA-N -1 1 307.781 3.600 20 0 DHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000529538516 340760822 /nfs/dbraw/zinc/76/08/22/340760822.db2.gz CHFNDDQEJHHXOZ-PEYYIBSZSA-N -1 1 317.772 3.562 20 0 DHADMM O=C(C[C@H](c1ccc(O)cc1)C1CC1)Nc1cccc(F)c1[O-] ZINC000530003619 340775727 /nfs/dbraw/zinc/77/57/27/340775727.db2.gz CFPBNJSGYGFJGO-AWEZNQCLSA-N -1 1 315.344 3.759 20 0 DHADMM COc1ccccc1C[C@H](C)CC(=O)Nc1cccc(F)c1[O-] ZINC000530006377 340775925 /nfs/dbraw/zinc/77/59/25/340775925.db2.gz PASOPAMYJFIDKD-LBPRGKRZSA-N -1 1 317.360 3.747 20 0 DHADMM CCCCc1nc(CN2[C@@H](C)CC(C(=O)[O-])C[C@@H]2C)cs1 ZINC000530172798 340781449 /nfs/dbraw/zinc/78/14/49/340781449.db2.gz AOMJMNJGEWLLLU-RYUDHWBXSA-N -1 1 310.463 3.559 20 0 DHADMM CCN(CCc1ccccc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000124412627 340798852 /nfs/dbraw/zinc/79/88/52/340798852.db2.gz HPBMXVPREXSNPO-UHFFFAOYSA-N -1 1 303.789 3.750 20 0 DHADMM Cc1nc(SCc2cc(-c3cccs3)on2)[n-]c(=O)c1C ZINC000540716550 340942953 /nfs/dbraw/zinc/94/29/53/340942953.db2.gz XXCSXMPZULMGAC-UHFFFAOYSA-N -1 1 319.411 3.808 20 0 DHADMM C[C@@H]1CCCCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000070410736 340995149 /nfs/dbraw/zinc/99/51/49/340995149.db2.gz VZLQSBOUJLQAPW-SNVBAGLBSA-N -1 1 312.207 3.559 20 0 DHADMM CC[C@@H](C)CN(CC)C(=O)c1ccc(Br)c([O-])c1 ZINC000131165943 341063324 /nfs/dbraw/zinc/06/33/24/341063324.db2.gz QIMKOPKBIMYMHB-SNVBAGLBSA-N -1 1 314.223 3.663 20 0 DHADMM CCOc1cc(C(=O)N[C@@H](C)C[C@H](C)CC)cc(Cl)c1[O-] ZINC000545149704 341110405 /nfs/dbraw/zinc/11/04/05/341110405.db2.gz NGZXOCHOGNOTQF-MNOVXSKESA-N -1 1 313.825 3.999 20 0 DHADMM COc1cc(C(=O)Nc2cccc(C)c2C)cc(Cl)c1[O-] ZINC000545178722 341111573 /nfs/dbraw/zinc/11/15/73/341111573.db2.gz SSCUPKVNLLRMAB-UHFFFAOYSA-N -1 1 305.761 3.923 20 0 DHADMM CCc1noc(C)c1[N-]C(=O)c1csc(-c2ccc(C)o2)n1 ZINC000133035768 341152343 /nfs/dbraw/zinc/15/23/43/341152343.db2.gz XTSFSBLFJYAQTE-UHFFFAOYSA-N -1 1 317.370 3.823 20 0 DHADMM COc1cc(C(=O)Nc2cc(F)ccc2C)cc(Cl)c1[O-] ZINC000547299509 341204066 /nfs/dbraw/zinc/20/40/66/341204066.db2.gz BTIVISQBQDSKHC-UHFFFAOYSA-N -1 1 309.724 3.754 20 0 DHADMM C[C@@H]1CN(C(=O)c2cc(F)ccc2[O-])CC[C@H]1c1ccccc1 ZINC000080031104 341268826 /nfs/dbraw/zinc/26/88/26/341268826.db2.gz AELDXBBUFNEMEL-CZUORRHYSA-N -1 1 313.372 3.797 20 0 DHADMM Cc1ccc(C[C@@H](C)NC(=O)c2cc(Cl)ccc2[O-])s1 ZINC000080247443 341271465 /nfs/dbraw/zinc/27/14/65/341271465.db2.gz FYAXYGMNVDISBX-SECBINFHSA-N -1 1 309.818 3.777 20 0 DHADMM Cc1ccc(-c2nc3cc(Br)c(F)cc3c(=O)[n-]2)o1 ZINC000551998671 341358632 /nfs/dbraw/zinc/35/86/32/341358632.db2.gz OLCQJUPRJDWJQK-UHFFFAOYSA-N -1 1 323.121 3.805 20 0 DHADMM O=C([O-])C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000087761550 341395147 /nfs/dbraw/zinc/39/51/47/341395147.db2.gz ZUDQOLFIIITTQD-SNVBAGLBSA-N -1 1 302.201 3.680 20 0 DHADMM O=C([O-])C[C@H]1CCCN(Cc2cc(Cl)ccc2Cl)C1 ZINC000087761550 341395148 /nfs/dbraw/zinc/39/51/48/341395148.db2.gz ZUDQOLFIIITTQD-SNVBAGLBSA-N -1 1 302.201 3.680 20 0 DHADMM Cn1c(-c2nc(-c3ccc([O-])c(F)c3)no2)cc2ccccc21 ZINC000556002854 341492243 /nfs/dbraw/zinc/49/22/43/341492243.db2.gz VMSGWKQVZDHKMP-UHFFFAOYSA-N -1 1 309.300 3.740 20 0 DHADMM Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccc(F)cc2[O-])c1 ZINC000556154275 341495817 /nfs/dbraw/zinc/49/58/17/341495817.db2.gz UWIMSPULHBTAFW-UHFFFAOYSA-N -1 1 315.344 3.750 20 0 DHADMM Cc1cnc(S[C@H](C)c2ccc(OC(F)F)cc2)[n-]c1=O ZINC000565667595 341534423 /nfs/dbraw/zinc/53/44/23/341534423.db2.gz NDQHUZOVZPCRHE-SECBINFHSA-N -1 1 312.341 3.945 20 0 DHADMM CC(C)(C)c1cnc(SCCC(=O)c2ccc([O-])cc2O)o1 ZINC000566749267 341567166 /nfs/dbraw/zinc/56/71/66/341567166.db2.gz SPRZVJJMFXDPTM-UHFFFAOYSA-N -1 1 321.398 3.748 20 0 DHADMM Cc1cnc(SC[C@H](OC(C)C)c2ccccc2)[n-]c1=O ZINC000566865496 341570339 /nfs/dbraw/zinc/57/03/39/341570339.db2.gz WZGMTTSXOOIOID-AWEZNQCLSA-N -1 1 304.415 3.749 20 0 DHADMM COc1cc(C(=O)N2C[C@H](C)c3ccccc32)cc(Cl)c1[O-] ZINC000153589752 341575472 /nfs/dbraw/zinc/57/54/72/341575472.db2.gz LFJPEDJKIMTHQD-JTQLQIEISA-N -1 1 317.772 3.818 20 0 DHADMM CCOc1cc(C(=O)N2CC[C@@H]3CCCC[C@@H]32)cc(Cl)c1[O-] ZINC000567390726 341600832 /nfs/dbraw/zinc/60/08/32/341600832.db2.gz GZHGVFHBYOGYPV-FZMZJTMJSA-N -1 1 323.820 3.849 20 0 DHADMM CCC(CC)n1ncc(C(=O)Nc2nc(Cl)ccc2[O-])c1C ZINC000189852164 521648015 /nfs/dbraw/zinc/64/80/15/521648015.db2.gz LCICWIRGVYQPHS-UHFFFAOYSA-N -1 1 322.796 3.559 20 0 DHADMM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cncc([O-])c1 ZINC000111586321 523102213 /nfs/dbraw/zinc/10/22/13/523102213.db2.gz HFFDCVIETLUWMA-ROUUACIJSA-N -1 1 310.397 3.586 20 0 DHADMM Cc1c(=O)[n-]c(SCCCOC(C)C)nc1-c1ccccc1 ZINC000163938792 525523632 /nfs/dbraw/zinc/52/36/32/525523632.db2.gz GTGDGROHDFIJHR-UHFFFAOYSA-N -1 1 318.442 3.653 20 0 DHADMM C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1cncc([O-])c1 ZINC000267039492 526049618 /nfs/dbraw/zinc/04/96/18/526049618.db2.gz OSQUCZUKJKFFJE-NWDGAFQWSA-N -1 1 318.804 3.705 20 0 DHADMM CC(C)Cn1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000276966585 534907926 /nfs/dbraw/zinc/90/79/26/534907926.db2.gz PUAYGYPVAPGJFG-UHFFFAOYSA-N -1 1 308.769 3.542 20 0 DHADMM Cc1noc(C)c1C[C@@H](C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000129993001 526532644 /nfs/dbraw/zinc/53/26/44/526532644.db2.gz OYEAELYXPLSYIC-LLVKDONJSA-N -1 1 324.380 3.511 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CC=C(c2cccs2)CC1 ZINC000154904804 526702903 /nfs/dbraw/zinc/70/29/03/526702903.db2.gz XPSOCUXBGNLRBD-UHFFFAOYSA-N -1 1 303.358 3.522 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CCCCC[C@@H]1c1ccncc1 ZINC000181882796 526703855 /nfs/dbraw/zinc/70/38/55/526703855.db2.gz QOTUJFSYUDHFPW-QGZVFWFLSA-N -1 1 314.360 3.684 20 0 DHADMM C[C@@H]1CCCCN1Cc1cc(C(=O)[O-])ccc1Br ZINC000675074039 563910868 /nfs/dbraw/zinc/91/08/68/563910868.db2.gz WQDUYICKNNBOHQ-SNVBAGLBSA-N -1 1 312.207 3.522 20 0 DHADMM Cc1ccc(Oc2cccc(F)c2-c2nnn[n-]2)c(Cl)c1 ZINC000737366021 598974211 /nfs/dbraw/zinc/97/42/11/598974211.db2.gz NYFWBKSEJHMBPO-UHFFFAOYSA-N -1 1 304.712 3.760 20 0 DHADMM Cc1ccc(Oc2cccc(F)c2-c2nn[n-]n2)c(Cl)c1 ZINC000737366021 598974213 /nfs/dbraw/zinc/97/42/13/598974213.db2.gz NYFWBKSEJHMBPO-UHFFFAOYSA-N -1 1 304.712 3.760 20 0 DHADMM C[C@H](Nc1cccc(-c2nnn[n-]2)n1)c1csc2ccccc12 ZINC000736140158 599431945 /nfs/dbraw/zinc/43/19/45/599431945.db2.gz ZBHLOAFKJSVDDN-JTQLQIEISA-N -1 1 322.397 3.650 20 0 DHADMM C[C@H](Nc1cccc(-c2nn[n-]n2)n1)c1csc2ccccc12 ZINC000736140158 599431947 /nfs/dbraw/zinc/43/19/47/599431947.db2.gz ZBHLOAFKJSVDDN-JTQLQIEISA-N -1 1 322.397 3.650 20 0 DHADMM CCN(Cc1cc(C(=O)[O-])co1)[C@H](C)c1cccc(OC)c1 ZINC000519167210 599847118 /nfs/dbraw/zinc/84/71/18/599847118.db2.gz KSHXFACGXWCMIV-GFCCVEGCSA-N -1 1 303.358 3.570 20 0 DHADMM CCCN(Cc1cc(C(=O)[O-])co1)[C@H](C)c1ccccc1OC ZINC000737019293 599849614 /nfs/dbraw/zinc/84/96/14/599849614.db2.gz CHLPIYAAHLTGGP-CYBMUJFWSA-N -1 1 317.385 3.960 20 0 DHADMM Cc1oc(CN2CCC(c3ccccc3F)CC2)cc1C(=O)[O-] ZINC000738981803 600217558 /nfs/dbraw/zinc/21/75/58/600217558.db2.gz YAJJREMYPXKBAN-UHFFFAOYSA-N -1 1 317.360 3.805 20 0 DHADMM CC(C)(C)c1csc([C@H]2CCCCN2CCCC(=O)[O-])n1 ZINC000363126347 600227713 /nfs/dbraw/zinc/22/77/13/600227713.db2.gz GPXCZUWMJROJIV-GFCCVEGCSA-N -1 1 310.463 3.832 20 0 DHADMM CC[C@](NCc1cc(C)sc1C)(C(=O)[O-])c1ccccc1 ZINC000736915430 600305266 /nfs/dbraw/zinc/30/52/66/600305266.db2.gz CZBUSQNOMBBAQL-QGZVFWFLSA-N -1 1 303.427 3.845 20 0 DHADMM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000739517722 600398557 /nfs/dbraw/zinc/39/85/57/600398557.db2.gz QRCGMYZPBFFPDZ-PWSUYJOCSA-N -1 1 321.726 3.740 20 0 DHADMM CCc1ccc([C@H]2CCCN2Cc2cc(C)c(C(=O)[O-])o2)o1 ZINC000569108036 600410898 /nfs/dbraw/zinc/41/08/98/600410898.db2.gz FHPOQLHVSLPKEW-CQSZACIVSA-N -1 1 303.358 3.779 20 0 DHADMM O=C([O-])[C@@H](NCc1cc2c(s1)CCCC2)c1ccccc1 ZINC000738526087 600425905 /nfs/dbraw/zinc/42/59/05/600425905.db2.gz POLIEXQWKIPVPF-INIZCTEOSA-N -1 1 301.411 3.542 20 0 DHADMM CCOc1ccccc1CN[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737211838 600427410 /nfs/dbraw/zinc/42/74/10/600427410.db2.gz SNDVXNPASUEZJQ-INIZCTEOSA-N -1 1 319.788 3.654 20 0 DHADMM CSc1ccc(F)cc1CN[C@@H](C(=O)[O-])c1ccccc1F ZINC000832780964 600694075 /nfs/dbraw/zinc/69/40/75/600694075.db2.gz NCZOWJXUNNZHAB-OAHLLOKOSA-N -1 1 323.364 3.602 20 0 DHADMM O=C([O-])[C@@H](N[C@H]1CCc2c1cccc2Cl)c1ccccc1F ZINC000833168637 600742558 /nfs/dbraw/zinc/74/25/58/600742558.db2.gz YWRKHYUWOZKDFI-HOTGVXAUSA-N -1 1 319.763 3.882 20 0 DHADMM C[C@@H]1CCCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC000652366885 600815765 /nfs/dbraw/zinc/81/57/65/600815765.db2.gz XKBSXQKVRAHCAT-GFCCVEGCSA-N -1 1 316.426 3.740 20 0 DHADMM CCCC[C@H](Sc1nc(C=Cc2ccc(C)o2)n[nH]1)C(=O)[O-] ZINC000829296437 600836130 /nfs/dbraw/zinc/83/61/30/600836130.db2.gz SUIWZWKDWUGKGL-LAUAKBEESA-N -1 1 321.402 3.612 20 0 DHADMM CCCC[C@@H](Sc1nc(C=Cc2ccc(C)o2)n[nH]1)C(=O)[O-] ZINC000829296436 600836218 /nfs/dbraw/zinc/83/62/18/600836218.db2.gz SUIWZWKDWUGKGL-JLVNDZCYSA-N -1 1 321.402 3.612 20 0 DHADMM Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2cc(C(=O)[O-])co2)o1 ZINC000832931509 600858127 /nfs/dbraw/zinc/85/81/27/600858127.db2.gz ZFCALCUALVMVQX-ABAIWWIYSA-N -1 1 303.358 3.852 20 0 DHADMM Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2cc(C(=O)[O-])co2)o1 ZINC000832931512 600858300 /nfs/dbraw/zinc/85/83/00/600858300.db2.gz ZFCALCUALVMVQX-XHDPSFHLSA-N -1 1 303.358 3.852 20 0 DHADMM Cc1nc(CN2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])sc1C ZINC000579973939 601548276 /nfs/dbraw/zinc/54/82/76/601548276.db2.gz QWRCEFQSOBNJMK-CABCVRRESA-N -1 1 322.474 3.615 20 0 DHADMM O=C([O-])c1cccc(CNCc2ccc(Cl)cc2Cl)c1 ZINC000150306486 601621296 /nfs/dbraw/zinc/62/12/96/601621296.db2.gz SOXGUQCMHGYFBC-UHFFFAOYSA-N -1 1 310.180 3.981 20 0 DHADMM CN(Cc1ccc(Cl)s1)Cc1ccc(C(=O)[O-])s1 ZINC000103926043 601938259 /nfs/dbraw/zinc/93/82/59/601938259.db2.gz SCUVUDUYISSSGM-UHFFFAOYSA-N -1 1 301.820 3.793 20 0 DHADMM C[C@@H]1c2ccc(F)cc2CCN1Cc1ccc(C(=O)[O-])s1 ZINC000828527017 601957442 /nfs/dbraw/zinc/95/74/42/601957442.db2.gz GTLXXVZTZXKAKA-SNVBAGLBSA-N -1 1 305.374 3.705 20 0 DHADMM CCc1nc(C)c([C@H](C)N(C)Cc2ccc(C(=O)[O-])s2)s1 ZINC000830309895 601960315 /nfs/dbraw/zinc/96/03/15/601960315.db2.gz RLSJHHFQAITUKN-JTQLQIEISA-N -1 1 324.471 3.967 20 0 DHADMM CCc1nc(C)c([C@@H](C)N(C)Cc2ccc(C(=O)[O-])s2)s1 ZINC000830309897 601960591 /nfs/dbraw/zinc/96/05/91/601960591.db2.gz RLSJHHFQAITUKN-SNVBAGLBSA-N -1 1 324.471 3.967 20 0 DHADMM CCc1nc2c(s1)[C@H](N(C)Cc1occc1C(=O)[O-])CCC2 ZINC000570403515 602056094 /nfs/dbraw/zinc/05/60/94/602056094.db2.gz QLURMDPFXMYVEI-GFCCVEGCSA-N -1 1 320.414 3.506 20 0 DHADMM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1C[C@@H]2CCC[C@H]21 ZINC000833169224 602207623 /nfs/dbraw/zinc/20/76/23/602207623.db2.gz AEFZIPYOJHNGKG-CKLFPEKLSA-N -1 1 300.185 3.603 20 0 DHADMM C[C@@H](NC(=O)[O-])c1ccc(NCc2ccc3nc[nH]c3c2)cc1 ZINC000825448294 603178381 /nfs/dbraw/zinc/17/83/81/603178381.db2.gz CECPHPUQNMYBBU-LLVKDONJSA-N -1 1 310.357 3.504 20 0 DHADMM CC[C@H](NCc1ccc(NC(=O)[O-])nc1)c1ccc(F)cc1F ZINC000826619315 603554932 /nfs/dbraw/zinc/55/49/32/603554932.db2.gz IZNXGLBLYSTBDG-AWEZNQCLSA-N -1 1 321.327 3.691 20 0 DHADMM C[C@@H](c1cc(F)ccc1F)N(C)Cc1ccccc1C(=O)[O-] ZINC000833546202 604532987 /nfs/dbraw/zinc/53/29/87/604532987.db2.gz CUOZQIJINHNGIR-NSHDSACASA-N -1 1 305.324 3.856 20 0 DHADMM C[C@@H]1CN(Cc2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1C(=O)[O-] ZINC000662210850 604670031 /nfs/dbraw/zinc/67/00/31/604670031.db2.gz KUYXCVWTCINLTH-PSASIEDQSA-N -1 1 321.726 3.511 20 0 DHADMM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1Cc1ccoc1C(=O)[O-] ZINC000568066065 604721851 /nfs/dbraw/zinc/72/18/51/604721851.db2.gz OMBVLZRGSXKYPE-MNOVXSKESA-N -1 1 303.333 3.625 20 0 DHADMM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1Cc1occc1C(=O)[O-] ZINC000517382538 604722005 /nfs/dbraw/zinc/72/20/05/604722005.db2.gz YSRYLRTUPXRYIY-MNOVXSKESA-N -1 1 303.333 3.625 20 0 DHADMM CC[C@H](NCc1ccc(C(=O)[O-])cc1F)c1ccccc1OC ZINC000833644171 605079881 /nfs/dbraw/zinc/07/98/81/605079881.db2.gz MAOHDYPWCNWUFF-INIZCTEOSA-N -1 1 317.360 3.773 20 0 DHADMM CCOc1cc(Cl)ccc1CN[C@H](C(=O)[O-])c1ccccc1 ZINC000833660074 605142290 /nfs/dbraw/zinc/14/22/90/605142290.db2.gz CTAZPGTTZUVGJC-INIZCTEOSA-N -1 1 319.788 3.654 20 0 DHADMM CCc1cnccc1[C@@H](C)N[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000833674239 605270642 /nfs/dbraw/zinc/27/06/42/605270642.db2.gz PHVPRYYEDVZXMS-NEPJUHHUSA-N -1 1 302.374 3.655 20 0 DHADMM C[C@@H](C(=O)[O-])[C@H](NCc1c(F)cccc1F)c1ccccc1 ZINC000833406850 605676409 /nfs/dbraw/zinc/67/64/09/605676409.db2.gz KCRXPVLGAWJYOH-BZNIZROVSA-N -1 1 305.324 3.516 20 0 DHADMM C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(C(=O)[O-])s1 ZINC000833604333 605703780 /nfs/dbraw/zinc/70/37/80/605703780.db2.gz DTQREEDUCPQUCP-DTWKUNHWSA-N -1 1 307.337 3.609 20 0 DHADMM O=C([O-])N[C@H]1C[C@H](NCc2ccc(F)c(F)c2)c2ccccc21 ZINC000834159701 605795294 /nfs/dbraw/zinc/79/52/94/605795294.db2.gz WADHZUYIKGGSOZ-HOTGVXAUSA-N -1 1 318.323 3.508 20 0 DHADMM Cc1ccc2nc(C=Cc3ccc(-c4nn[n-]n4)s3)ccc2c1 ZINC000822280287 606389109 /nfs/dbraw/zinc/38/91/09/606389109.db2.gz JPRMYKTUFXNNFZ-WAYWQWQTSA-N -1 1 319.393 3.955 20 0 DHADMM CC[C@@H](C)CNc1ccccc1Oc1ncccc1-c1nn[n-]n1 ZINC000820868888 606983894 /nfs/dbraw/zinc/98/38/94/606983894.db2.gz BWVAWTJTWNKCFC-GFCCVEGCSA-N -1 1 324.388 3.512 20 0 DHADMM Cc1nc(-c2ccccc2)oc1CNC1(C(=O)[O-])CCCCC1 ZINC001600679947 970845704 /nfs/dbraw/zinc/84/57/04/970845704.db2.gz QBZOFWHOGAUAPQ-UHFFFAOYSA-N -1 1 314.385 3.527 20 0 DHADMM C[C@@H](Sc1ccnc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC001575504947 949098872 /nfs/dbraw/zinc/09/88/72/949098872.db2.gz ZQMGVUDTBGNGIB-SECBINFHSA-N -1 1 317.805 3.768 20 0 DHADMM C[C@@H](Sc1ccnc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC001575504947 949098889 /nfs/dbraw/zinc/09/88/89/949098889.db2.gz ZQMGVUDTBGNGIB-SECBINFHSA-N -1 1 317.805 3.768 20 0 DHADMM CC(C)c1ccc([C@H]2CCCN2C(=O)c2cncc([O-])c2)cc1 ZINC000339940512 1013113284 /nfs/dbraw/zinc/11/32/84/1013113284.db2.gz UXBUAVLLJBBNEK-GOSISDBHSA-N -1 1 310.397 3.888 20 0 DHADMM O=C([O-])C[C@@H]1CCCCN1Cc1csc(C2CCCC2)n1 ZINC000650506439 954022367 /nfs/dbraw/zinc/02/23/67/954022367.db2.gz LZEBRXMAVBFLIK-AWEZNQCLSA-N -1 1 308.447 3.630 20 0 DHADMM C[C@H]1CN(Cc2nc(C3CCCCC3)cs2)CC[C@H]1C(=O)[O-] ZINC001589401290 954431516 /nfs/dbraw/zinc/43/15/16/954431516.db2.gz KOKBAUOMXYSEKQ-GXTWGEPZSA-N -1 1 322.474 3.733 20 0 DHADMM O=C([O-])[C@@H]1CN(C/C=C/c2ccc(F)cc2)Cc2ccccc21 ZINC001594954210 954974059 /nfs/dbraw/zinc/97/40/59/954974059.db2.gz ZKOOXGFTNRYQOE-OAJJDEHYSA-N -1 1 311.356 3.523 20 0 DHADMM CC(C)[C@@H](NC(=O)c1cncc([O-])c1)c1ccccc1Cl ZINC000339950920 1013142013 /nfs/dbraw/zinc/14/20/13/1013142013.db2.gz KTBYNFXLHVJERT-OAHLLOKOSA-N -1 1 304.777 3.568 20 0 DHADMM C[C@](NCc1cc(F)ccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001589129172 956185880 /nfs/dbraw/zinc/18/58/80/956185880.db2.gz QCTWQVFVWMWUAV-MRXNPFEDSA-N -1 1 307.752 3.569 20 0 DHADMM O=C([O-])c1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 ZINC000033559275 957186442 /nfs/dbraw/zinc/18/64/42/957186442.db2.gz GJUMMWLLDDQUSB-UHFFFAOYSA-N -1 1 306.243 3.947 20 0 DHADMM Cc1ccc(-c2n[nH]c(SCCC3(C(=O)[O-])CCC3)n2)cc1 ZINC001594337865 958279408 /nfs/dbraw/zinc/27/94/08/958279408.db2.gz PSTZKLVOUBADFV-UHFFFAOYSA-N -1 1 317.414 3.517 20 0 DHADMM COc1ccc(Cl)c(CN[C@H](C(=O)[O-])c2cccc(C)c2)c1 ZINC001594095757 958396735 /nfs/dbraw/zinc/39/67/35/958396735.db2.gz FRARKUSVQSAKHX-INIZCTEOSA-N -1 1 319.788 3.573 20 0 DHADMM Cc1cccc([C@H](NCc2cc3ccncc3s2)C(=O)[O-])c1 ZINC001594397602 958784888 /nfs/dbraw/zinc/78/48/88/958784888.db2.gz KHGXHDWXICCFKM-INIZCTEOSA-N -1 1 312.394 3.520 20 0 DHADMM CC(C)c1nc(CN2CCC[C@H](C(C)(C)C(=O)[O-])C2)cs1 ZINC000135039616 958881073 /nfs/dbraw/zinc/88/10/73/958881073.db2.gz ALYYJGWORJGGFH-LBPRGKRZSA-N -1 1 310.463 3.589 20 0 DHADMM C[C@H]1CCc2[n-]n(-c3nc4ccc(Cl)cc4s3)c(=O)c21 ZINC000634595503 1013202359 /nfs/dbraw/zinc/20/23/59/1013202359.db2.gz DKZRDKRRTLWROV-JVXZTZIISA-N -1 1 305.790 3.698 20 0 DHADMM CC(C)Oc1cccc([C@H](C)NC(=O)c2cc(F)ccc2[O-])c1 ZINC001625859641 1013297211 /nfs/dbraw/zinc/29/72/11/1013297211.db2.gz LQPXYAHYZOHZJP-LBPRGKRZSA-N -1 1 317.360 3.810 20 0 DHADMM COCc1ccc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)cc1 ZINC000073632161 1013334154 /nfs/dbraw/zinc/33/41/54/1013334154.db2.gz LGDJXZAJJWBENJ-UHFFFAOYSA-N -1 1 319.426 3.757 20 0 DHADMM CC(C)(C)[C@H](NCc1ccc(C(=O)[O-])o1)c1ccc(F)cc1 ZINC000316617820 964033006 /nfs/dbraw/zinc/03/30/06/964033006.db2.gz BFNRBSLRLVGPAU-OAHLLOKOSA-N -1 1 305.349 3.994 20 0 DHADMM CC(C)(CC(F)(F)F)c1nc(-c2ccc([O-])cc2F)no1 ZINC000664849619 1013498193 /nfs/dbraw/zinc/49/81/93/1013498193.db2.gz JJCYCKFKNRGCHI-UHFFFAOYSA-N -1 1 304.243 3.811 20 0 DHADMM CC(C)(CC(F)(F)F)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000664849284 1013499010 /nfs/dbraw/zinc/49/90/10/1013499010.db2.gz GLQKIYCYMBOJQK-UHFFFAOYSA-N -1 1 304.243 3.811 20 0 DHADMM CO[C@H](c1nc(-c2ccc([O-])c(F)c2)no1)C1CCCCC1 ZINC000664849216 1013499566 /nfs/dbraw/zinc/49/95/66/1013499566.db2.gz FVOSEPNVDOTKNY-AWEZNQCLSA-N -1 1 306.337 3.849 20 0 DHADMM CCc1noc(C)c1-c1noc(-c2cc(SC)ccc2[O-])n1 ZINC000664862309 1013516904 /nfs/dbraw/zinc/51/69/04/1013516904.db2.gz OAWPUTAHDXMWQP-UHFFFAOYSA-N -1 1 317.370 3.690 20 0 DHADMM CCC[C@H](NCc1ccc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000519621132 1013583264 /nfs/dbraw/zinc/58/32/64/1013583264.db2.gz HTQGJNSZDNNLLG-AWEZNQCLSA-N -1 1 307.777 3.943 20 0 DHADMM CCc1cc(=O)[n-]c(SCc2csc(CCC(C)C)n2)n1 ZINC000188106849 1013635358 /nfs/dbraw/zinc/63/53/58/1013635358.db2.gz OWEGUIDBAIRQFP-UHFFFAOYSA-N -1 1 323.487 3.670 20 0 DHADMM CC(C)Oc1ccc(NC(=O)c2ccc(O)cc2[O-])c(Cl)c1 ZINC000188317540 1013697006 /nfs/dbraw/zinc/69/70/06/1013697006.db2.gz JAXAJYZLEGIOKV-UHFFFAOYSA-N -1 1 321.760 3.791 20 0 DHADMM CN(Cc1cccc(Cl)c1)C(=O)c1c([O-])cccc1Cl ZINC000049082705 1013735931 /nfs/dbraw/zinc/73/59/31/1013735931.db2.gz IHTGCCCYMXGQSN-UHFFFAOYSA-N -1 1 310.180 3.971 20 0 DHADMM Cc1ccccc1C[C@H](C)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000683647891 1013806977 /nfs/dbraw/zinc/80/69/77/1013806977.db2.gz NKGHATYKUCJXLR-ZDUSSCGKSA-N -1 1 301.361 3.543 20 0 DHADMM Cc1nc(S[C@H](C)c2ncc(C(C)(C)C)o2)[n-]c(=O)c1C ZINC000330674149 1013834082 /nfs/dbraw/zinc/83/40/82/1013834082.db2.gz HWHSHFCGRDUNBX-SNVBAGLBSA-N -1 1 307.419 3.938 20 0 DHADMM CC[C@@]1(C(=O)[O-])CCCN([C@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000923470686 969651592 /nfs/dbraw/zinc/65/15/92/969651592.db2.gz OPVMABXLVQUKSK-SJKOYZFVSA-N -1 1 308.422 3.610 20 0 DHADMM O=c1cc(C(F)(F)F)nc(S[C@H]2CCc3ccccc32)[n-]1 ZINC000683738779 1013928643 /nfs/dbraw/zinc/92/86/43/1013928643.db2.gz IEXNQPNMFDMGAJ-JTQLQIEISA-N -1 1 312.316 3.981 20 0 DHADMM CC(C)(C)[C@H](NCc1cc(C(=O)[O-])co1)c1ccc(F)cc1 ZINC000317381525 970353213 /nfs/dbraw/zinc/35/32/13/970353213.db2.gz LGMDBVNACFRDPE-OAHLLOKOSA-N -1 1 305.349 3.994 20 0 DHADMM O=C([O-])C[N@@H+](Cc1ccc(-c2cccc(F)c2F)o1)C1CCC1 ZINC000656101329 1013996390 /nfs/dbraw/zinc/99/63/90/1013996390.db2.gz KNJGEXKHTMURBZ-UHFFFAOYSA-N -1 1 321.323 3.664 20 0 DHADMM O=C([O-])CN(Cc1ccc(-c2cccc(F)c2F)o1)C1CCC1 ZINC000656101329 1013996394 /nfs/dbraw/zinc/99/63/94/1013996394.db2.gz KNJGEXKHTMURBZ-UHFFFAOYSA-N -1 1 321.323 3.664 20 0 DHADMM O=C(Nc1c([O-])cccc1F)[C@@H]1SCCc2ccccc21 ZINC000089541570 1014102742 /nfs/dbraw/zinc/10/27/42/1014102742.db2.gz ODPDDDDZINMNLR-OAHLLOKOSA-N -1 1 303.358 3.500 20 0 DHADMM O=C([O-])c1ccc(CNc2nc3ccc(Cl)cc3[nH]2)s1 ZINC001606494916 973978476 /nfs/dbraw/zinc/97/84/76/973978476.db2.gz HMNGABSWKUSYSX-UHFFFAOYSA-N -1 1 307.762 3.588 20 0 DHADMM CC[C@@]1(C)Oc2ccc(NC(=O)c3ccc([O-])cc3F)cc2O1 ZINC000189296998 1014169458 /nfs/dbraw/zinc/16/94/58/1014169458.db2.gz GLNPCLLOAWTTOE-KRWDZBQOSA-N -1 1 317.316 3.681 20 0 DHADMM COc1cc(C(=O)N2CCC(C)(C3CC3)CC2)cc(Cl)c1[O-] ZINC000427576916 1014197136 /nfs/dbraw/zinc/19/71/36/1014197136.db2.gz HOPHANPPUCRXNK-UHFFFAOYSA-N -1 1 323.820 3.707 20 0 DHADMM O=C([O-])c1ccc(CN2CCC(C(F)(F)F)CC2)cc1Cl ZINC000566357620 974606452 /nfs/dbraw/zinc/60/64/52/974606452.db2.gz FVPUWGSQUHRWDG-UHFFFAOYSA-N -1 1 321.726 3.813 20 0 DHADMM C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1CC1(C(=O)[O-])CC1 ZINC000566684000 974619904 /nfs/dbraw/zinc/61/99/04/974619904.db2.gz MNZDWEBQRGIJPV-SECBINFHSA-N -1 1 314.212 3.777 20 0 DHADMM O=C([O-])c1ccc(CN2CCC[C@H]2c2cccc(Cl)c2)o1 ZINC000571691538 974734218 /nfs/dbraw/zinc/73/42/18/974734218.db2.gz AVHUBUSTWGIIAM-AWEZNQCLSA-N -1 1 305.761 3.968 20 0 DHADMM C[C@H](c1ccc(C(=O)[O-])o1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000582186994 974922292 /nfs/dbraw/zinc/92/22/92/974922292.db2.gz ZMDJATVWJLCJAU-GFCCVEGCSA-N -1 1 315.344 3.967 20 0 DHADMM O=C([O-])C[C@@H]1CCCCN1Cc1csc(-c2cccs2)n1 ZINC000650506629 975449649 /nfs/dbraw/zinc/44/96/49/975449649.db2.gz SWKFBXWQCQUJAA-LBPRGKRZSA-N -1 1 322.455 3.701 20 0 DHADMM CN(Cc1occc1C(=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC000652373872 975516406 /nfs/dbraw/zinc/51/64/06/975516406.db2.gz CNDWPVMZTNAEEH-UHFFFAOYSA-N -1 1 313.275 3.629 20 0 DHADMM CC(C)OC[C@@H](C(=O)[O-])N(C)Cc1cccc(C2CCCC2)c1 ZINC001591712101 975603445 /nfs/dbraw/zinc/60/34/45/975603445.db2.gz QCJUAJJEWCVDCB-SFHVURJKSA-N -1 1 319.445 3.654 20 0 DHADMM O=C(c1c(F)ccc([O-])c1F)N1CC2(CCC2)c2ccccc21 ZINC000580679402 1014283280 /nfs/dbraw/zinc/28/32/80/1014283280.db2.gz VQSJVAHTTBEPML-UHFFFAOYSA-N -1 1 315.319 3.753 20 0 DHADMM CC(C)Oc1cccc(CN[C@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001591796765 976011493 /nfs/dbraw/zinc/01/14/93/976011493.db2.gz RZUPNNLJNMHSOO-GFCCVEGCSA-N -1 1 303.358 3.616 20 0 DHADMM Cc1sccc1CN[C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000417563967 1014328049 /nfs/dbraw/zinc/32/80/49/1014328049.db2.gz FIQAPUUHXRANAX-AWEZNQCLSA-N -1 1 311.353 3.640 20 0 DHADMM CCC(CC)(CNC(=O)c1ccc([O-])c(F)c1)C(F)(F)F ZINC000871262698 1031174688 /nfs/dbraw/zinc/17/46/88/1031174688.db2.gz JJUZAKRWNPFPCG-UHFFFAOYSA-N -1 1 307.287 3.630 20 0 DHADMM CN(CCc1ccccc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000045177919 1032091274 /nfs/dbraw/zinc/09/12/74/1032091274.db2.gz UDFDTNOFGAVNDB-UHFFFAOYSA-N -1 1 305.377 3.860 20 0 DHADMM O=C([O-])[C@@H](c1ccccc1C(F)(F)F)N1CCC(F)(F)CC1 ZINC000863474313 979669758 /nfs/dbraw/zinc/66/97/58/979669758.db2.gz LQMORINQJPVXSP-LLVKDONJSA-N -1 1 323.261 3.562 20 0 DHADMM CC[C@H](N[C@H](C(=O)[O-])c1ccc(Cl)cc1)c1c(C)noc1C ZINC001595276426 980299925 /nfs/dbraw/zinc/29/99/25/980299925.db2.gz HBPDVKFFDOEMSC-ZFWWWQNUSA-N -1 1 322.792 3.811 20 0 DHADMM O=C([O-])[C@@]1(F)CCN(Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000901514691 980331284 /nfs/dbraw/zinc/33/12/84/980331284.db2.gz IDQPVRNDNGPLFY-MRXNPFEDSA-N -1 1 323.364 3.553 20 0 DHADMM C[C@H]1CCN(Cc2ccc(F)c(C(F)(F)F)c2)[C@@H](C(=O)[O-])C1 ZINC000902018459 980695135 /nfs/dbraw/zinc/69/51/35/980695135.db2.gz UWLOTFWKCKQUBD-TVQRCGJNSA-N -1 1 319.298 3.530 20 0 DHADMM O=C([O-])c1cccc(CN[C@@H](c2ccc(F)cc2)C2CCC2)n1 ZINC000902223931 980789390 /nfs/dbraw/zinc/78/93/90/980789390.db2.gz SQUQQUITOZCNMW-QGZVFWFLSA-N -1 1 314.360 3.550 20 0 DHADMM Cc1cc(CN[C@@H]2c3cccc(F)c3CC[C@@H]2C)oc1C(=O)[O-] ZINC000902287094 980819003 /nfs/dbraw/zinc/81/90/03/980819003.db2.gz VQKSTUUFRHTOJG-QFYYESIMSA-N -1 1 317.360 3.839 20 0 DHADMM Cc1cc(CN[C@@H]2c3cccc(F)c3CC[C@H]2C)oc1C(=O)[O-] ZINC000902287092 980819157 /nfs/dbraw/zinc/81/91/57/980819157.db2.gz VQKSTUUFRHTOJG-HWPZZCPQSA-N -1 1 317.360 3.839 20 0 DHADMM CC[C@](C)(NCc1ccc(/C=C\C(=O)[O-])o1)c1ccc(F)cc1 ZINC000902337874 980838658 /nfs/dbraw/zinc/83/86/58/980838658.db2.gz WFIYYCQXGZBRFL-LENZSSGSSA-N -1 1 317.360 3.932 20 0 DHADMM CSc1cc(C)ccc1CNCc1cc(C(=O)[O-])oc1C ZINC000902351307 980845918 /nfs/dbraw/zinc/84/59/18/980845918.db2.gz YLUYACFSEYBYJU-UHFFFAOYSA-N -1 1 305.399 3.606 20 0 DHADMM Cc1oc(CN[C@H](c2ccc(F)c(C)c2)C2CC2)cc1C(=O)[O-] ZINC000902381479 980863455 /nfs/dbraw/zinc/86/34/55/980863455.db2.gz OBTGEUFVTGMSHK-KRWDZBQOSA-N -1 1 317.360 3.975 20 0 DHADMM CCc1oc(CN2CC[C@H](C(F)(F)F)C2(C)C)cc1C(=O)[O-] ZINC000902530272 980923561 /nfs/dbraw/zinc/92/35/61/980923561.db2.gz JIDOPAILYSCINX-LBPRGKRZSA-N -1 1 319.323 3.703 20 0 DHADMM COc1cc(C(=O)Nc2cccc(F)c2F)cc(Cl)c1[O-] ZINC000442662457 1014711555 /nfs/dbraw/zinc/71/15/55/1014711555.db2.gz ZIRZGDFIYXVHLR-UHFFFAOYSA-N -1 1 313.687 3.585 20 0 DHADMM O=C(NCC[C@@H]1CC=CCC1)c1cc(Br)ccc1[O-] ZINC000706928438 1014756334 /nfs/dbraw/zinc/75/63/34/1014756334.db2.gz PIRCXVCIFOUVSV-LLVKDONJSA-N -1 1 324.218 3.631 20 0 DHADMM COc1cc(C(=O)NC[C@H]2CCC[C@@H](C)C2)cc(Cl)c1[O-] ZINC000443348963 1014880011 /nfs/dbraw/zinc/88/00/11/1014880011.db2.gz WPEHFFCRGHDVTB-MNOVXSKESA-N -1 1 311.809 3.610 20 0 DHADMM C[C@@]1(Cc2noc(-c3cc(F)ccc3[O-])n2)CC1(Cl)Cl ZINC000834872734 1014892908 /nfs/dbraw/zinc/89/29/08/1014892908.db2.gz CSRWPSWPOZRBJO-GFCCVEGCSA-N -1 1 317.147 3.708 20 0 DHADMM C[C@H]1c2ccccc2CN1CCOc1ccc(/C=C\C(=O)[O-])cc1 ZINC001599937110 985409191 /nfs/dbraw/zinc/40/91/91/985409191.db2.gz PMZYZOMIMQVXBY-QIENPNARSA-N -1 1 323.392 3.740 20 0 DHADMM Cc1[nH]c(C(=O)CN(C)C2CCCCCCC2)c(C)c1C(=O)[O-] ZINC001599945618 985521960 /nfs/dbraw/zinc/52/19/60/985521960.db2.gz WPCRFAXDOTUZRE-UHFFFAOYSA-N -1 1 320.433 3.557 20 0 DHADMM CN(C(=O)c1ccc(Cl)cc1[O-])[C@@H]1CCc2ccccc2C1 ZINC000114282505 1015165643 /nfs/dbraw/zinc/16/56/43/1015165643.db2.gz KLMZJWCSYFTJTP-OAHLLOKOSA-N -1 1 315.800 3.675 20 0 DHADMM C[C@@H]1CN(Cc2cc(C(=O)[O-])c3n2CCCC3)[C@H]1c1ccccc1 ZINC001594537614 986160808 /nfs/dbraw/zinc/16/08/08/986160808.db2.gz WOKYSESDNWBHNT-AUUYWEPGSA-N -1 1 324.424 3.716 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)c1ccc(OC2CCC2)cc1 ZINC001141833988 1015265778 /nfs/dbraw/zinc/26/57/78/1015265778.db2.gz QMGQPCMYORCONL-UHFFFAOYSA-N -1 1 319.307 3.854 20 0 DHADMM CCS[C@@H]1CCCCN([C@@H](C)c2ncc(C(=O)[O-])s2)C1 ZINC001597258921 987274585 /nfs/dbraw/zinc/27/45/85/987274585.db2.gz ZFKNMGZOAYOIGR-WDEREUQCSA-N -1 1 314.476 3.510 20 0 DHADMM CCc1[nH]c(CN2CC[C@H](C)C[C@@H]2c2ccco2)cc1C(=O)[O-] ZINC001597384241 987587313 /nfs/dbraw/zinc/58/73/13/987587313.db2.gz ISJTWARUWNPWBE-BLLLJJGKSA-N -1 1 316.401 3.842 20 0 DHADMM CCc1[nH]c(CN2CCC[C@@H]2c2cccs2)cc1C(=O)[O-] ZINC001597386910 987608824 /nfs/dbraw/zinc/60/88/24/987608824.db2.gz QRBAIQCVVZOFSD-CQSZACIVSA-N -1 1 304.415 3.674 20 0 DHADMM CCc1ccc(-c2n[nH]c(S[C@H](C(=O)[O-])[C@@H](C)CC)n2)cc1 ZINC001597492028 988022737 /nfs/dbraw/zinc/02/27/37/988022737.db2.gz OFGHTVFVMSVKHH-GWCFXTLKSA-N -1 1 319.430 3.626 20 0 DHADMM CCc1ccc(-c2n[nH]c(S[C@H](CC(C)C)C(=O)[O-])n2)cc1 ZINC001597492642 988030716 /nfs/dbraw/zinc/03/07/16/988030716.db2.gz XORRBQYFRGQALS-CYBMUJFWSA-N -1 1 319.430 3.626 20 0 DHADMM CC(C)(C)C[C@H]1CCN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)C1 ZINC001589764725 988106625 /nfs/dbraw/zinc/10/66/25/988106625.db2.gz UWRNANAJOIXBBB-GFCCVEGCSA-N -1 1 315.417 3.519 20 0 DHADMM CCc1ccc2c(c1)[C@@H](NCc1csc(C(=O)[O-])c1)CCO2 ZINC001597569421 988335579 /nfs/dbraw/zinc/33/55/79/988335579.db2.gz UXCZISKXKKFREY-AWEZNQCLSA-N -1 1 317.410 3.622 20 0 DHADMM CCc1cccc(Cl)c1CN(CCC(F)(F)F)CC(=O)[O-] ZINC001597592892 988421769 /nfs/dbraw/zinc/42/17/69/988421769.db2.gz MIOPZYIYHHWVGR-UHFFFAOYSA-N -1 1 323.742 3.741 20 0 DHADMM CCc1nc(C)c([C@H](C)N(C)Cc2cc(C(=O)[O-])cs2)s1 ZINC001597656894 988713681 /nfs/dbraw/zinc/71/36/81/988713681.db2.gz HFBKPHYUUOESFS-JTQLQIEISA-N -1 1 324.471 3.967 20 0 DHADMM CSc1ccncc1[N-]C(=O)c1csc(C(F)(F)F)n1 ZINC000684454589 1015475142 /nfs/dbraw/zinc/47/51/42/1015475142.db2.gz JAYWGZTYZFMFRF-UHFFFAOYSA-N -1 1 319.333 3.531 20 0 DHADMM COc1cccc(-c2noc([N-][C@H]3CCCc4cccnc43)n2)c1 ZINC000896419670 1015580647 /nfs/dbraw/zinc/58/06/47/1015580647.db2.gz MRSKHSVSQZSGRA-HNNXBMFYSA-N -1 1 322.368 3.630 20 0 DHADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)cc1 ZINC000014256747 1015593493 /nfs/dbraw/zinc/59/34/93/1015593493.db2.gz JEWODCXWLZNWBO-UHFFFAOYSA-N -1 1 317.410 3.643 20 0 DHADMM CCc1noc(C)c1[N-]C(=O)c1nc(-c2cccs2)oc1C ZINC000754881975 1015619621 /nfs/dbraw/zinc/61/96/21/1015619621.db2.gz LTHUWYRRTNBUQT-UHFFFAOYSA-N -1 1 317.370 3.823 20 0 DHADMM O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2)C1)c1ccc([O-])c(F)c1 ZINC000684513557 1015623939 /nfs/dbraw/zinc/62/39/39/1015623939.db2.gz HQPAHNQJGFNOPY-IUODEOHRSA-N -1 1 317.335 3.737 20 0 DHADMM CC(C)[C@H]1N([C@@H](C)c2ncc(C(=O)[O-])s2)CC12CCCC2 ZINC001591100325 991722824 /nfs/dbraw/zinc/72/28/24/991722824.db2.gz VWNBURIMPSFADB-WCQYABFASA-N -1 1 308.447 3.803 20 0 DHADMM Cc1ccc(-c2noc(-c3cnc(C(F)(F)F)[n-]3)n2)cc1F ZINC001213589365 1015675212 /nfs/dbraw/zinc/67/52/12/1015675212.db2.gz BYKSXLRDIZIYEN-UHFFFAOYSA-N -1 1 312.226 3.593 20 0 DHADMM Cc1ccc(-c2noc(-c3c[n-]c(C(F)(F)F)n3)n2)cc1F ZINC001213589365 1015675213 /nfs/dbraw/zinc/67/52/13/1015675213.db2.gz BYKSXLRDIZIYEN-UHFFFAOYSA-N -1 1 312.226 3.593 20 0 DHADMM CN(Cc1cc2ccccc2o1)Cc1cc(C(=O)[O-])cs1 ZINC001598508929 992542454 /nfs/dbraw/zinc/54/24/54/992542454.db2.gz MUILJAWGKMIWJD-UHFFFAOYSA-N -1 1 301.367 3.825 20 0 DHADMM CN(Cc1ccccc1F)Cc1ccc(C(=O)[O-])c2cccnc12 ZINC001598530079 992769144 /nfs/dbraw/zinc/76/91/44/992769144.db2.gz IRPAALZGRLLOQU-UHFFFAOYSA-N -1 1 324.355 3.704 20 0 DHADMM CSc1ccc([O-])c(-c2nc([C@H]3CC3(Cl)Cl)no2)c1 ZINC000896817143 1015759241 /nfs/dbraw/zinc/75/92/41/1015759241.db2.gz SCCZTOAMCRVQAS-MRVPVSSYSA-N -1 1 317.197 3.825 20 0 DHADMM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)[N-]OCc1ccccn1 ZINC000909539618 1015783604 /nfs/dbraw/zinc/78/36/04/1015783604.db2.gz GGMSSYKZGRLKTD-CABCVRRESA-N -1 1 310.397 3.619 20 0 DHADMM C[C@@H](N[C@@H](C)c1ccc2c(c1)CCCO2)c1cc(C(=O)[O-])co1 ZINC001593195693 994149300 /nfs/dbraw/zinc/14/93/00/994149300.db2.gz DQWLAIHXSWPUNZ-NWDGAFQWSA-N -1 1 315.369 3.715 20 0 DHADMM CC(C)[C@@H](N[C@H](C)c1cncc(C(=O)[O-])c1)c1ccccc1F ZINC001593211084 994259756 /nfs/dbraw/zinc/25/97/56/994259756.db2.gz VNSMYJPCEVPAAZ-SJKOYZFVSA-N -1 1 316.376 3.967 20 0 DHADMM C[C@H](N[C@H]1CSc2ccccc21)c1cc(C(=O)[O-])cs1 ZINC001593234360 994400937 /nfs/dbraw/zinc/40/09/37/994400937.db2.gz YWEFPYPXOISRQK-CABZTGNLSA-N -1 1 305.424 3.944 20 0 DHADMM C[C@H](N[C@@H]1CSc2ccccc21)c1cc(C(=O)[O-])cs1 ZINC001593234361 994400948 /nfs/dbraw/zinc/40/09/48/994400948.db2.gz YWEFPYPXOISRQK-JOYOIKCWSA-N -1 1 305.424 3.944 20 0 DHADMM C[C@H](NCc1ccc(C(=O)[O-])cn1)c1csc2ccccc21 ZINC001593296831 994699915 /nfs/dbraw/zinc/69/99/15/994699915.db2.gz QMVOICZKDFRUSH-NSHDSACASA-N -1 1 312.394 3.845 20 0 DHADMM C[C@H](NCc1cccc(Cl)c1)c1ccccc1OCC(=O)[O-] ZINC001593305152 994759676 /nfs/dbraw/zinc/75/96/76/994759676.db2.gz XEJKTJPGSQUMOV-LBPRGKRZSA-N -1 1 319.788 3.654 20 0 DHADMM O=C(CSCc1ccc(F)cc1)Nc1ccc(F)cc1[O-] ZINC000610861091 1015897658 /nfs/dbraw/zinc/89/76/58/1015897658.db2.gz VEELVOBLVGQELO-UHFFFAOYSA-N -1 1 309.337 3.542 20 0 DHADMM C[C@@H](c1ccccn1)N(C)Cc1ccnc2c(C(=O)[O-])cccc12 ZINC001593716915 996233298 /nfs/dbraw/zinc/23/32/98/996233298.db2.gz FHFHTCWCRDIMAC-ZDUSSCGKSA-N -1 1 321.380 3.521 20 0 DHADMM C[C@@H](c1cccnc1)N(C)Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC001593719492 996244014 /nfs/dbraw/zinc/24/40/14/996244014.db2.gz NKJBZPCXQGAUID-NSHDSACASA-N -1 1 304.777 3.626 20 0 DHADMM C[C@@H](c1nc(C(=O)[O-])co1)N1CCC[C@H](c2ccccc2)CC1 ZINC001593726139 996288040 /nfs/dbraw/zinc/28/80/40/996288040.db2.gz ZWOMVWMVVBUOQV-ZFWWWQNUSA-N -1 1 314.385 3.704 20 0 DHADMM COc1cc(C)ccc1CN[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001599393430 997081545 /nfs/dbraw/zinc/08/15/45/997081545.db2.gz LRMNTZSOAOKDNX-MRXNPFEDSA-N -1 1 319.788 3.573 20 0 DHADMM CCc1nc(SCCc2noc3ccccc23)[n-]c(=O)c1C ZINC000657264635 1016143707 /nfs/dbraw/zinc/14/37/07/1016143707.db2.gz WRDBNFHPQIIQAQ-UHFFFAOYSA-N -1 1 315.398 3.529 20 0 DHADMM COc1ccc(Cl)c2c1CCC[C@@H]2N(C)C/C=C(/C)C(=O)[O-] ZINC001599577060 998461786 /nfs/dbraw/zinc/46/17/86/998461786.db2.gz DSSNORDXTQAGIK-FPAJZGIOSA-N -1 1 323.820 3.689 20 0 DHADMM COc1ccc(Cl)c2c1CCC[C@H]2N(C)C/C=C(\C)C(=O)[O-] ZINC001599577059 998461915 /nfs/dbraw/zinc/46/19/15/998461915.db2.gz DSSNORDXTQAGIK-CFRMROPGSA-N -1 1 323.820 3.689 20 0 DHADMM C[C@H]1[C@H](C(F)(F)F)CCN1Cc1cccc(C(=O)[O-])c1Cl ZINC001594177423 998688977 /nfs/dbraw/zinc/68/89/77/998688977.db2.gz XLMZMUTWVOHJLT-GZMMTYOYSA-N -1 1 321.726 3.811 20 0 DHADMM C[C@H]1CC[C@H](c2ccccc2)N(Cc2nc(C(=O)[O-])cs2)C1 ZINC001594330079 999268306 /nfs/dbraw/zinc/26/83/06/999268306.db2.gz IANXCRVQIUXAIQ-SWLSCSKDSA-N -1 1 316.426 3.815 20 0 DHADMM C[C@@H]1CCN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)[C@H]2CCCC[C@@H]12 ZINC001594423522 999581373 /nfs/dbraw/zinc/58/13/73/999581373.db2.gz YLKMOMRAQSYHHB-IFIJOSMWSA-N -1 1 316.445 3.991 20 0 DHADMM CC[C@@H](NC(=O)c1cc(F)ccc1[O-])c1cc(F)ccc1F ZINC000622387268 1016385569 /nfs/dbraw/zinc/38/55/69/1016385569.db2.gz QXYWZXROCYAKCC-CQSZACIVSA-N -1 1 309.287 3.691 20 0 DHADMM Cc1cc(C)cc(C[C@H](NCc2cc3ccccc3o2)C(=O)[O-])c1 ZINC000277512595 1016491481 /nfs/dbraw/zinc/49/14/81/1016491481.db2.gz YHKJLRBOCXBBMD-SFHVURJKSA-N -1 1 323.392 3.835 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1Cc2cccc(F)c2C1 ZINC000622692671 1016518004 /nfs/dbraw/zinc/51/80/04/1016518004.db2.gz JQPYTLVFQIJHSX-UHFFFAOYSA-N -1 1 307.324 3.841 20 0 DHADMM O=C(NCCC1CC(F)(F)C1)c1cc2ccccc2cc1[O-] ZINC000622678870 1016524852 /nfs/dbraw/zinc/52/48/52/1016524852.db2.gz GKKHJBSHAANLKC-UHFFFAOYSA-N -1 1 305.324 3.711 20 0 DHADMM CN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CCCCC1 ZINC000684870497 1016750069 /nfs/dbraw/zinc/75/00/69/1016750069.db2.gz FDSFHLJCEZCPJW-UHFFFAOYSA-N -1 1 301.308 3.816 20 0 DHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000684875391 1016766157 /nfs/dbraw/zinc/76/61/57/1016766157.db2.gz GREQSIBOLCRZKE-VXGBXAGGSA-N -1 1 313.319 3.673 20 0 DHADMM O=C(Nc1cccc(CCC(F)(F)F)c1)c1cncc([O-])c1 ZINC000175727676 1016878727 /nfs/dbraw/zinc/87/87/27/1016878727.db2.gz KPGHQGVWYMEUFK-UHFFFAOYSA-N -1 1 310.275 3.534 20 0 DHADMM CCC[C@H](C(=O)OCCc1cc(C(C)=O)ccc1[O-])C(C)C ZINC000763852867 1016891220 /nfs/dbraw/zinc/89/12/20/1016891220.db2.gz RVLAVKMEOUHLCG-INIZCTEOSA-N -1 1 306.402 3.753 20 0 DHADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(C(C)C)c2)c1 ZINC000055159484 1032208541 /nfs/dbraw/zinc/20/85/41/1032208541.db2.gz UJYNPLITBITQRJ-UHFFFAOYSA-N -1 1 312.369 3.726 20 0 DHADMM O=c1nc(C[N@H+]2C[C@H]3CCCCCC[C@@H]32)[n-]c2ccsc21 ZINC000362215688 1032274418 /nfs/dbraw/zinc/27/44/18/1032274418.db2.gz BDZBVTNRMVEYHL-YPMHNXCESA-N -1 1 303.431 3.552 20 0 DHADMM O=c1nc(CN2C[C@H]3CCCCCC[C@@H]32)[n-]c2ccsc21 ZINC000362215688 1032274429 /nfs/dbraw/zinc/27/44/29/1032274429.db2.gz BDZBVTNRMVEYHL-YPMHNXCESA-N -1 1 303.431 3.552 20 0 DHADMM CC(C)Sc1c(Cl)cccc1NC(=O)c1cnncc1[O-] ZINC001147741697 1032338305 /nfs/dbraw/zinc/33/83/05/1032338305.db2.gz GNJYKKUPIUUQCO-UHFFFAOYSA-N -1 1 323.805 3.588 20 0 DHADMM CCO[C@@H]1[C@H](C)[C@H]1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001148253388 1032379293 /nfs/dbraw/zinc/37/92/93/1032379293.db2.gz QVXHUIVHXXYZOX-OYBNVQJLSA-N -1 1 319.788 3.808 20 0 DHADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(F)c2C)c1 ZINC000120787388 1032396377 /nfs/dbraw/zinc/39/63/77/1032396377.db2.gz DSYQNJMQMWZJSB-UHFFFAOYSA-N -1 1 321.373 3.528 20 0 DHADMM CCC(CC)(CNC(=O)c1ncc(C)cc1[O-])c1ccccc1 ZINC001148421410 1032399288 /nfs/dbraw/zinc/39/92/88/1032399288.db2.gz HLOGLNKLGIBTRU-UHFFFAOYSA-N -1 1 312.413 3.583 20 0 DHADMM C[C@@]1(F)CCCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC001148795149 1032445779 /nfs/dbraw/zinc/44/57/79/1032445779.db2.gz WIRQCKSMGXYGOH-CQSZACIVSA-N -1 1 319.298 3.765 20 0 DHADMM O=C(c1cccc(-c2ccccc2)c1[O-])N1CCc2[nH]ccc2C1 ZINC001148865844 1032449373 /nfs/dbraw/zinc/44/93/73/1032449373.db2.gz ADRHOVVBMYJULO-UHFFFAOYSA-N -1 1 318.376 3.586 20 0 DHADMM O=C(c1cccc(-c2ccccc2)c1[O-])N1C[C@@H]2C[C@H]1C[C@H]2F ZINC001148865966 1032449103 /nfs/dbraw/zinc/44/91/03/1032449103.db2.gz CCJSURYFBCWYDU-GRDNDAEWSA-N -1 1 311.356 3.632 20 0 DHADMM O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)c1cc(F)ccc1[O-] ZINC000089882108 1011909100 /nfs/dbraw/zinc/90/91/00/1011909100.db2.gz QZOFVWJVPILNFW-UHFFFAOYSA-N -1 1 321.258 3.598 20 0 DHADMM CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(Br)cc1[O-] ZINC000088302047 1011926087 /nfs/dbraw/zinc/92/60/87/1011926087.db2.gz SCUFKEARMISRPI-ZJUUUORDSA-N -1 1 314.223 3.709 20 0 DHADMM CCCOCc1nc(=O)c2c(-c3ccc(C)s3)csc2[n-]1 ZINC000063579419 1012036281 /nfs/dbraw/zinc/03/62/81/1012036281.db2.gz ULRIXZZTXFLSJU-UHFFFAOYSA-N -1 1 320.439 3.948 20 0 DHADMM O=C([O-])c1cccc(CNCc2cc(Cl)ccc2Cl)c1 ZINC000683176853 1012257065 /nfs/dbraw/zinc/25/70/65/1012257065.db2.gz UNEVQZMQNLJZKK-UHFFFAOYSA-N -1 1 310.180 3.981 20 0 DHADMM CCS[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Cl)cc1[O-] ZINC001137243348 1032613794 /nfs/dbraw/zinc/61/37/94/1032613794.db2.gz BFIZCCCUIQNZJK-TZMCWYRMSA-N -1 1 313.850 3.840 20 0 DHADMM O=C(NC[C@H]1CCCc2ccccc21)c1c(F)ccc([O-])c1F ZINC000280785515 1012274209 /nfs/dbraw/zinc/27/42/09/1012274209.db2.gz NRDHTGMTZZWZCO-GFCCVEGCSA-N -1 1 317.335 3.520 20 0 DHADMM COc1ccc(-c2nc(-c3cccc(Cl)c3)no2)c([O-])c1 ZINC000109037217 1012405450 /nfs/dbraw/zinc/40/54/50/1012405450.db2.gz JFVDWMMBWJWQCY-UHFFFAOYSA-N -1 1 302.717 3.771 20 0 DHADMM CCc1[n-]n(-c2ncc(Cl)cc2Cl)c(=O)c1C(C)C ZINC000634584313 1012623789 /nfs/dbraw/zinc/62/37/89/1012623789.db2.gz ZERMDHVQMROMLN-NSHDSACASA-N -1 1 300.189 3.773 20 0 DHADMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)cc1F ZINC000032588516 1012781291 /nfs/dbraw/zinc/78/12/91/1012781291.db2.gz YCXJGJGBUJRAKK-UHFFFAOYSA-N -1 1 323.389 3.759 20 0 DHADMM Cc1ccc(CC2CN(C(=O)c3ccc(Cl)cc3[O-])C2)cc1 ZINC000618892294 1012825313 /nfs/dbraw/zinc/82/53/13/1012825313.db2.gz VNGNKQCZUKPCPB-UHFFFAOYSA-N -1 1 315.800 3.669 20 0 DHADMM C[C@H]1CCCC[C@@H]1CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000516840605 1012843266 /nfs/dbraw/zinc/84/32/66/1012843266.db2.gz CSUBWOZFVYQBTO-GXTWGEPZSA-N -1 1 313.401 3.937 20 0 DHADMM CCOC(=O)[C@H]1CC[C@H](Oc2cc(Cl)c([O-])cc2Cl)C1 ZINC001227646143 1017132567 /nfs/dbraw/zinc/13/25/67/1017132567.db2.gz OMUQOOOOYHADOG-IUCAKERBSA-N -1 1 319.184 3.810 20 0 DHADMM [O-]c1ccc(F)cc1-c1nc([C@H]2CCOC3(CCCC3)C2)no1 ZINC000897187281 1017136661 /nfs/dbraw/zinc/13/66/61/1017136661.db2.gz SATUEUVLCLXHGG-NSHDSACASA-N -1 1 318.348 3.788 20 0 DHADMM CCOc1cc(-c2nc(CCCCF)no2)cc(Cl)c1[O-] ZINC000897207505 1017152433 /nfs/dbraw/zinc/15/24/33/1017152433.db2.gz HXSJSBRAHUACDF-UHFFFAOYSA-N -1 1 314.744 3.787 20 0 DHADMM CCC(CC)c1nnc([N-]C(=O)c2onc3c2CCCC3)s1 ZINC000666969245 1032688484 /nfs/dbraw/zinc/68/84/84/1032688484.db2.gz KDMNFOAJFXCUIH-UHFFFAOYSA-N -1 1 320.418 3.561 20 0 DHADMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000171013511 1017810992 /nfs/dbraw/zinc/81/09/92/1017810992.db2.gz BIZDLTRVKUQIRO-LBPRGKRZSA-N -1 1 323.389 3.642 20 0 DHADMM Cc1ccncc1/C=C\c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445447142 1017864278 /nfs/dbraw/zinc/86/42/78/1017864278.db2.gz GTZDNLXZXAYRND-DJWKRKHSSA-N -1 1 313.744 3.969 20 0 DHADMM C[C@@H](Oc1ccc(F)cc1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445477699 1017876203 /nfs/dbraw/zinc/87/62/03/1017876203.db2.gz OZFGEJMWDFGSEP-SECBINFHSA-N -1 1 318.279 3.860 20 0 DHADMM [O-]c1ccc(-c2noc(/C=C\c3cccc(F)c3)n2)cc1F ZINC000445477684 1017877576 /nfs/dbraw/zinc/87/75/76/1017877576.db2.gz OULRFRNMOYSFMV-DAXSKMNVSA-N -1 1 300.264 3.891 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3cccc(Cl)c3)n2)cc1F ZINC000445476875 1017884246 /nfs/dbraw/zinc/88/42/46/1017884246.db2.gz JGESLBVSVDIPEX-UHFFFAOYSA-N -1 1 304.708 3.826 20 0 DHADMM CCOC(=O)Cc1ccc(Nc2cc([O-])c(F)c(F)c2)cc1 ZINC001212521601 1018151242 /nfs/dbraw/zinc/15/12/42/1018151242.db2.gz NTTLBHYLHMTZBH-UHFFFAOYSA-N -1 1 307.296 3.520 20 0 DHADMM CC(C)[C@H]1C[C@H](Cc2nc(-c3ccc([O-])c(F)c3)no2)CCO1 ZINC000278126792 1018175566 /nfs/dbraw/zinc/17/55/66/1018175566.db2.gz JWORPDFJXYLEIR-IAQYHMDHSA-N -1 1 320.364 3.575 20 0 DHADMM COc1cccc(Cl)c1CNCc1cccc([O-])c1Cl ZINC000380822866 1018200864 /nfs/dbraw/zinc/20/08/64/1018200864.db2.gz GPEVLWDRVKWFFL-UHFFFAOYSA-N -1 1 312.196 3.997 20 0 DHADMM CCN(CCc1ccccn1)C(=O)c1ccc2ccccc2c1[O-] ZINC000764346403 1018251707 /nfs/dbraw/zinc/25/17/07/1018251707.db2.gz QWMAQVQLKHTUSC-UHFFFAOYSA-N -1 1 320.392 3.645 20 0 DHADMM O=C([N-]c1nc(-c2ccc(F)cc2)ns1)c1ccoc1Cl ZINC000764830200 1018385197 /nfs/dbraw/zinc/38/51/97/1018385197.db2.gz NLJWZWWENORTQO-UHFFFAOYSA-N -1 1 323.736 3.843 20 0 DHADMM C[C@@H]1CC[C@H](CCc2nc(-c3ccc([O-])cc3Cl)no2)O1 ZINC000278267756 1018484217 /nfs/dbraw/zinc/48/42/17/1018484217.db2.gz VJALIYCNEHSPMB-MWLCHTKSSA-N -1 1 308.765 3.596 20 0 DHADMM CCc1noc(C)c1[N-]C(=O)c1noc2c1CCc1ccccc1-2 ZINC000935078654 1018662934 /nfs/dbraw/zinc/66/29/34/1018662934.db2.gz RAMZRVQBYVZSJU-UHFFFAOYSA-N -1 1 323.352 3.551 20 0 DHADMM COc1cc(F)cc(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC001116773905 1018850173 /nfs/dbraw/zinc/85/01/73/1018850173.db2.gz YWTRUDCCWYUAKN-UHFFFAOYSA-N -1 1 310.712 3.837 20 0 DHADMM Cc1sc([C@@H](C)NCc2ccc(C)cc2C)nc1C(=O)[O-] ZINC000900074704 1018982410 /nfs/dbraw/zinc/98/24/10/1018982410.db2.gz ATQOIUZWEJAOBJ-LLVKDONJSA-N -1 1 304.415 3.617 20 0 DHADMM Cc1nc(Cl)c(Nc2cc(F)c([O-])c(Cl)c2)nc1C ZINC001214484259 1019034174 /nfs/dbraw/zinc/03/41/74/1019034174.db2.gz HDVYEXXCEHGGMG-UHFFFAOYSA-N -1 1 302.136 3.989 20 0 DHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCC2(CCC2)CC1 ZINC000672253987 1019058863 /nfs/dbraw/zinc/05/88/63/1019058863.db2.gz PQUYNEKXKNBRFX-UHFFFAOYSA-N -1 1 313.319 3.817 20 0 DHADMM CC(C)c1nnc([N-]C(=O)c2ncoc2-c2ccccc2)s1 ZINC000112002268 1019080775 /nfs/dbraw/zinc/08/07/75/1019080775.db2.gz CNWAZTBJKZZNSH-UHFFFAOYSA-N -1 1 314.370 3.569 20 0 DHADMM CNc1ccc(C(=O)OC)cc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214488965 1019206734 /nfs/dbraw/zinc/20/67/34/1019206734.db2.gz RFXWQNZLHWLVPK-UHFFFAOYSA-N -1 1 324.739 3.757 20 0 DHADMM [O-]c1c(F)cc(Nc2ccc(C3OCCO3)cc2)cc1Cl ZINC001214490301 1019267600 /nfs/dbraw/zinc/26/76/00/1019267600.db2.gz TVBAYUICCZVLMR-UHFFFAOYSA-N -1 1 309.724 3.974 20 0 DHADMM Cc1ccc(C(F)(F)F)c(-c2noc(-c3ncccc3[O-])n2)c1 ZINC001212480944 1019414119 /nfs/dbraw/zinc/41/41/19/1019414119.db2.gz QULKLMFZRWNTOG-UHFFFAOYSA-N -1 1 321.258 3.831 20 0 DHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1C ZINC000134770302 1019716093 /nfs/dbraw/zinc/71/60/93/1019716093.db2.gz CKZXDXZYBKZJCV-UHFFFAOYSA-N -1 1 317.410 3.615 20 0 DHADMM C[C@H](CN(C)C(=O)c1c([O-])cccc1Cl)c1ccccc1 ZINC000727488946 1019724167 /nfs/dbraw/zinc/72/41/67/1019724167.db2.gz CGQZVDSHIPEMSO-GFCCVEGCSA-N -1 1 303.789 3.921 20 0 DHADMM [O-]c1ccc(-c2noc(C34CC(c5ccccc5)(C3)C4)n2)c(F)c1 ZINC000685365813 1019774955 /nfs/dbraw/zinc/77/49/55/1019774955.db2.gz CROCPUQILIDCOM-UHFFFAOYSA-N -1 1 322.339 3.955 20 0 DHADMM CC(C)COc1ccc(C(C)(C)C[N-]C(=O)C(F)(F)F)cc1 ZINC000730246907 1019966901 /nfs/dbraw/zinc/96/69/01/1019966901.db2.gz PTBWBHTVTDEZFF-UHFFFAOYSA-N -1 1 317.351 3.678 20 0 DHADMM CCOCCCC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000628232689 1020044114 /nfs/dbraw/zinc/04/41/14/1020044114.db2.gz JVRUOAMJEIUYMK-UHFFFAOYSA-N -1 1 307.777 3.954 20 0 DHADMM O=c1nc(N2CCC[C@@H](c3ccccc3)CC2)cc(Cl)[n-]1 ZINC000858387891 1032872367 /nfs/dbraw/zinc/87/23/67/1032872367.db2.gz JMJWOHHYAMBVFX-CYBMUJFWSA-N -1 1 303.793 3.610 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(N2CCCCC2)cc1 ZINC000536219619 1020089909 /nfs/dbraw/zinc/08/99/09/1020089909.db2.gz JEFWJHWTEZHGDY-UHFFFAOYSA-N -1 1 314.360 3.774 20 0 DHADMM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1c(Cl)cccc1Cl ZINC000235358212 1020167721 /nfs/dbraw/zinc/16/77/21/1020167721.db2.gz RZXGXAHXCZTQNG-NXEZZACHSA-N -1 1 302.201 3.679 20 0 DHADMM CCOc1cc(C(=O)NCc2ccc(C)cc2)cc(Cl)c1[O-] ZINC000192793437 1032880900 /nfs/dbraw/zinc/88/09/00/1032880900.db2.gz NFOHPUFUWOLDRA-UHFFFAOYSA-N -1 1 319.788 3.683 20 0 DHADMM O=c1nc(N[C@H]2CCC[C@@H]2Cc2ccccc2)cc(Cl)[n-]1 ZINC000858417020 1032887579 /nfs/dbraw/zinc/88/75/79/1032887579.db2.gz KZPATQXMAMXCON-OLZOCXBDSA-N -1 1 303.793 3.659 20 0 DHADMM CC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2[O-])c(F)c1 ZINC000347732907 1020267770 /nfs/dbraw/zinc/26/77/70/1020267770.db2.gz KZZKQLNEBXMWMP-UHFFFAOYSA-N -1 1 307.708 3.640 20 0 DHADMM COC1CC(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)C1 ZINC000628233417 1020429516 /nfs/dbraw/zinc/42/95/16/1020429516.db2.gz BDVYBGOWISWDEW-UHFFFAOYSA-N -1 1 305.761 3.562 20 0 DHADMM Cc1noc(C(F)F)c1C(=O)[N-]c1cc(F)c(F)cc1F ZINC000673659829 1020430325 /nfs/dbraw/zinc/43/03/25/1020430325.db2.gz HFCQGOCZWRIESQ-UHFFFAOYSA-N -1 1 306.190 3.590 20 0 DHADMM C[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2)C[C@H]1C(=O)[O-] ZINC000647460663 1020440778 /nfs/dbraw/zinc/44/07/78/1020440778.db2.gz GSCKVKYWUTWQOV-TVQRCGJNSA-N -1 1 302.201 3.536 20 0 DHADMM CC(=O)c1cc(-c2nc(-c3ccc(Cl)cc3Cl)no2)n[n-]1 ZINC001212429943 1020510412 /nfs/dbraw/zinc/51/04/12/1020510412.db2.gz RESKBKLQNXGHND-UHFFFAOYSA-N -1 1 323.139 3.636 20 0 DHADMM CC(=O)c1cc(-c2nc(-c3ccc(Cl)cc3Cl)no2)[n-]n1 ZINC001212429943 1020510414 /nfs/dbraw/zinc/51/04/14/1020510414.db2.gz RESKBKLQNXGHND-UHFFFAOYSA-N -1 1 323.139 3.636 20 0 DHADMM CN(C(=O)c1cc(Cl)ccc1[O-])[C@@H]1CCc2ccccc2C1 ZINC000733938466 1020533023 /nfs/dbraw/zinc/53/30/23/1020533023.db2.gz JGNDVHDVCAOPPM-OAHLLOKOSA-N -1 1 315.800 3.675 20 0 DHADMM CC(C)(CNC(=O)c1c([O-])cccc1Cl)c1cccc(F)c1 ZINC000735703322 1020762332 /nfs/dbraw/zinc/76/23/32/1020762332.db2.gz VRTCXGWGSAAVAN-UHFFFAOYSA-N -1 1 321.779 3.892 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N1CCc2c(Cl)cccc2C1 ZINC000740128367 1020929146 /nfs/dbraw/zinc/92/91/46/1020929146.db2.gz MVPMUJCYGLYWOT-UHFFFAOYSA-N -1 1 322.191 3.898 20 0 DHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc2scnc2c1 ZINC000174695185 1020995566 /nfs/dbraw/zinc/99/55/66/1020995566.db2.gz ZCCXSLNBTAWKBB-UHFFFAOYSA-N -1 1 322.386 3.545 20 0 DHADMM Cc1ncc(-c2ccc(NC(=O)c3cc(F)ccc3[O-])cc2)o1 ZINC000175190860 1021024316 /nfs/dbraw/zinc/02/43/16/1021024316.db2.gz JPNFFIHBBYITTQ-UHFFFAOYSA-N -1 1 312.300 3.747 20 0 DHADMM Cc1nc(-c2ccc(NC[C@@H](C)C(C)(C)C)nc2)[n-]c(=O)c1C ZINC000742407822 1021116486 /nfs/dbraw/zinc/11/64/86/1021116486.db2.gz NZYDGEUDZAXATF-LLVKDONJSA-N -1 1 314.433 3.955 20 0 DHADMM CCOc1cc(C(=O)NCCC2CCCC2)cc(Cl)c1[O-] ZINC000186564024 1021118099 /nfs/dbraw/zinc/11/80/99/1021118099.db2.gz LDTDQPQLCYUFLD-UHFFFAOYSA-N -1 1 311.809 3.754 20 0 DHADMM Cc1csc([C@H](C)NC(=O)c2cc3ccccc3cc2[O-])n1 ZINC000067875497 1021205695 /nfs/dbraw/zinc/20/56/95/1021205695.db2.gz CFXVTXJGFXQAFX-NSHDSACASA-N -1 1 312.394 3.801 20 0 DHADMM CCc1nc(SCc2cccc(OC)c2C)[n-]c(=O)c1C ZINC000917843939 1021375029 /nfs/dbraw/zinc/37/50/29/1021375029.db2.gz VDENJFAWXBDPGR-UHFFFAOYSA-N -1 1 304.415 3.662 20 0 DHADMM Cc1nc(-c2ccc(N[C@H]3CC34CCCCC4)nc2)[n-]c(=O)c1C ZINC000181265928 1021405128 /nfs/dbraw/zinc/40/51/28/1021405128.db2.gz DRRMDRXKDFCBTL-HNNXBMFYSA-N -1 1 324.428 3.583 20 0 DHADMM Cc1cc(Br)cc(C(=O)Nc2c([O-])cccc2F)c1 ZINC000135075600 1021440870 /nfs/dbraw/zinc/44/08/70/1021440870.db2.gz BGPGMRZKALHTEL-UHFFFAOYSA-N -1 1 324.149 3.855 20 0 DHADMM Cn1cccc1[C@H]1CCCCCN1C(=O)c1ccc([O-])cc1F ZINC000181857295 1021524516 /nfs/dbraw/zinc/52/45/16/1021524516.db2.gz OWEOYHNKFCJPAQ-QGZVFWFLSA-N -1 1 316.376 3.627 20 0 DHADMM Cc1ccccc1CC(C)(C)NC(=O)c1ccc([O-])cc1F ZINC000181948718 1021533078 /nfs/dbraw/zinc/53/30/78/1021533078.db2.gz IATPQEDOKFYCTC-UHFFFAOYSA-N -1 1 301.361 3.591 20 0 DHADMM O=C(OCc1cc2ccccc2o1)c1cc(-c2ccco2)n[nH]1 ZINC000918501414 1021533748 /nfs/dbraw/zinc/53/37/48/1021533748.db2.gz ZRSRPBCDCCMLJP-UHFFFAOYSA-N -1 1 308.293 3.773 20 0 DHADMM CC(C)[C@@H]1N(C(=O)c2ccc(Cl)cc2[O-])CC12CC=CC2 ZINC000649144231 1021586309 /nfs/dbraw/zinc/58/63/09/1021586309.db2.gz RLCNLNOMEPQPLC-HNNXBMFYSA-N -1 1 305.805 3.862 20 0 DHADMM CC[C@](C)(NC(=O)c1ccc(C(F)(F)F)c([O-])c1)C1CC1 ZINC000618959931 1021590659 /nfs/dbraw/zinc/59/06/59/1021590659.db2.gz GRQLJIIXKKFZAV-AWEZNQCLSA-N -1 1 301.308 3.720 20 0 DHADMM CC[C@H](CC(=O)OCCc1cc(C(C)=O)ccc1[O-])C(C)C ZINC000744967846 1021629737 /nfs/dbraw/zinc/62/97/37/1021629737.db2.gz DLFFHXVFOFOBJJ-CQSZACIVSA-N -1 1 306.402 3.753 20 0 DHADMM CC[C@@H]1CC[C@@H](C)N(C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000619132482 1021647507 /nfs/dbraw/zinc/64/75/07/1021647507.db2.gz NNJIBMWOAMPBGH-GHMZBOCLSA-N -1 1 311.809 3.705 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H](C)c2ccsc2)c1 ZINC000745068361 1021649900 /nfs/dbraw/zinc/64/99/00/1021649900.db2.gz ZNKMENWYLWBGLM-LLVKDONJSA-N -1 1 318.394 3.546 20 0 DHADMM CC(C)[C@@H](NC(=O)c1cncc([O-])c1)c1ccc(Cl)cc1 ZINC000111776238 1021669859 /nfs/dbraw/zinc/66/98/59/1021669859.db2.gz IWFCIBVWLNDEMB-OAHLLOKOSA-N -1 1 304.777 3.568 20 0 DHADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)cc1 ZINC000007055728 1021909148 /nfs/dbraw/zinc/90/91/48/1021909148.db2.gz WPMDPCZYPIJIDN-UHFFFAOYSA-N -1 1 317.410 3.813 20 0 DHADMM O=C1c2ccc([O-])cc2C/C1=C\c1cn2cc(Cl)ccc2n1 ZINC000187227118 1021943556 /nfs/dbraw/zinc/94/35/56/1021943556.db2.gz IWKNTILLWPNCMY-IZZDOVSWSA-N -1 1 310.740 3.516 20 0 DHADMM Cc1ccc(C(F)(F)C(=O)Nc2cc([O-])c(F)cc2F)cc1 ZINC001625893322 1021971356 /nfs/dbraw/zinc/97/13/56/1021971356.db2.gz FYIOQKCYYMJNOB-UHFFFAOYSA-N -1 1 313.250 3.709 20 0 DHADMM CC(C)(C)n1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000190971889 1021996983 /nfs/dbraw/zinc/99/69/83/1021996983.db2.gz VEHYFRDJJGONBK-UHFFFAOYSA-N -1 1 308.769 3.641 20 0 DHADMM CCOc1cc(C(=O)NC(C)(C2CC2)C2CC2)cc(Cl)c1[O-] ZINC000620029918 1022015818 /nfs/dbraw/zinc/01/58/18/1022015818.db2.gz WIEGXLWBPLJDPR-UHFFFAOYSA-N -1 1 323.820 3.753 20 0 DHADMM O=C(NCc1ccc([O-])c(Cl)c1)N(C1CC1)C1CCCC1 ZINC000876392832 1033034324 /nfs/dbraw/zinc/03/43/24/1033034324.db2.gz ABQPIFHLVMWPIS-UHFFFAOYSA-N -1 1 308.809 3.662 20 0 DHADMM CCC[C@](C)(CC)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001168915251 1022181586 /nfs/dbraw/zinc/18/15/86/1022181586.db2.gz SDPXHRWGCSBLBW-KRWDZBQOSA-N -1 1 301.390 3.733 20 0 DHADMM CCC[C@@H]1CCC[C@H]1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001168921835 1022185074 /nfs/dbraw/zinc/18/50/74/1022185074.db2.gz GEROPRNHYCOGND-CZUORRHYSA-N -1 1 313.401 3.733 20 0 DHADMM Cc1ccc(F)c(OCC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000163205037 1022201556 /nfs/dbraw/zinc/20/15/56/1022201556.db2.gz AJMROLHGOHFNKZ-UHFFFAOYSA-N -1 1 309.724 3.511 20 0 DHADMM O=C([N-]Cc1ccc(Cl)o1)C(F)(F)c1cccc(Cl)c1 ZINC000921025145 1022202210 /nfs/dbraw/zinc/20/22/10/1022202210.db2.gz HZPDOHDEDAAOHB-UHFFFAOYSA-N -1 1 320.122 3.995 20 0 DHADMM O=C(NCc1ccc([O-])c(Cl)c1)N(CC1CC1)C1CCC1 ZINC000876396556 1033037202 /nfs/dbraw/zinc/03/72/02/1033037202.db2.gz JODJKKVMAYEKLO-UHFFFAOYSA-N -1 1 308.809 3.520 20 0 DHADMM Cc1cccc2c1CCC[C@H]2NC(=O)c1c(F)ccc([O-])c1F ZINC000620672232 1022219704 /nfs/dbraw/zinc/21/97/04/1022219704.db2.gz GRXPQRTWWRYDLZ-CQSZACIVSA-N -1 1 317.335 3.786 20 0 DHADMM CC1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876399595 1033037525 /nfs/dbraw/zinc/03/75/25/1033037525.db2.gz QMGULTXUUUGRLP-VGPLMAKISA-N -1 1 308.809 3.518 20 0 DHADMM COc1c(Cl)ccc(Nc2ccnc(Cl)c2[O-])c1F ZINC001212584230 1022231643 /nfs/dbraw/zinc/23/16/43/1022231643.db2.gz WCVSTMYDURMYAX-UHFFFAOYSA-N -1 1 303.120 3.985 20 0 DHADMM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000416327522 1022262771 /nfs/dbraw/zinc/26/27/71/1022262771.db2.gz XXGRKCKSKHHJDE-KXUCPTDWSA-N -1 1 301.308 3.528 20 0 DHADMM Cc1cc([N-]S(=O)(=O)c2cccc(C(F)F)c2)ccc1F ZINC000780387765 1022341134 /nfs/dbraw/zinc/34/11/34/1022341134.db2.gz QRKQJKMBBUELPU-UHFFFAOYSA-N -1 1 315.316 3.873 20 0 DHADMM O=C([N-]CCCSC[C@H]1CCCCC1(F)F)C(F)(F)F ZINC000853787122 1022345191 /nfs/dbraw/zinc/34/51/91/1022345191.db2.gz WVQMAEGGXGPULX-SECBINFHSA-N -1 1 319.339 3.614 20 0 DHADMM O=C(N[C@H]1C[C@H](Sc2ccccc2)C1)c1ccc(F)c([O-])c1 ZINC001169269968 1022346767 /nfs/dbraw/zinc/34/67/67/1022346767.db2.gz YXMWSHBHSHCXSJ-MQMHXKEQSA-N -1 1 317.385 3.584 20 0 DHADMM N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000183780230 1022384382 /nfs/dbraw/zinc/38/43/82/1022384382.db2.gz GVVKIURCHJSBJU-XFFZJAGNSA-N -1 1 316.719 3.730 20 0 DHADMM CCC(F)(F)C(=O)[N-]C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000855053500 1022568149 /nfs/dbraw/zinc/56/81/49/1022568149.db2.gz IZSJEZGJJANEJT-UHFFFAOYSA-N -1 1 323.261 3.736 20 0 DHADMM O=S(=O)([N-]c1ccc(CC(F)(F)F)cc1)c1ccccc1 ZINC000157853067 1022582175 /nfs/dbraw/zinc/58/21/75/1022582175.db2.gz ZBJKEXNQYDJWPV-UHFFFAOYSA-N -1 1 315.316 3.592 20 0 DHADMM CCc1cc(=O)[n-]c(SCc2ccc(OC(C)C)cc2)n1 ZINC000767058075 1022632450 /nfs/dbraw/zinc/63/24/50/1022632450.db2.gz SBBGTQMJVXJVKW-UHFFFAOYSA-N -1 1 304.415 3.824 20 0 DHADMM C[C@H]1CCC(C)(C)N1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000616165665 1022653938 /nfs/dbraw/zinc/65/39/38/1022653938.db2.gz SSWVXAGTJCHHNZ-VIFPVBQESA-N -1 1 301.308 3.814 20 0 DHADMM C[C@H](NC(=O)c1c([O-])cccc1Cl)c1cccc(F)c1F ZINC000767155001 1022657179 /nfs/dbraw/zinc/65/71/79/1022657179.db2.gz IEMUXIKQSIQBTK-QMMMGPOBSA-N -1 1 311.715 3.815 20 0 DHADMM O=C(c1ccc([O-])cc1)C1CCN(C/C(Cl)=C\Cl)CC1 ZINC000763477706 1022714846 /nfs/dbraw/zinc/71/48/46/1022714846.db2.gz JAZUMKWLFKLYEA-UKTHLTGXSA-N -1 1 314.212 3.606 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N1CC2CC1(c1ccccc1)C2 ZINC000856440940 1022812655 /nfs/dbraw/zinc/81/26/55/1022812655.db2.gz ROLPTINOEFIARX-UHFFFAOYSA-N -1 1 313.784 3.807 20 0 DHADMM COc1ccccc1/C(C)=C/C(=O)Nc1ccc(F)cc1[O-] ZINC000768257597 1022933301 /nfs/dbraw/zinc/93/33/01/1022933301.db2.gz GKFUGJBIMLYOIX-PKNBQFBNSA-N -1 1 301.317 3.582 20 0 DHADMM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1ccnc(F)c1F ZINC000191388250 1022960857 /nfs/dbraw/zinc/96/08/57/1022960857.db2.gz FSKZQACMJCCLGJ-UHFFFAOYSA-N -1 1 315.279 3.576 20 0 DHADMM CCc1ccc([C@H](C)C(=O)n2[n-]c(=O)c3ccc(OC)cc32)cc1 ZINC000857508333 1023024693 /nfs/dbraw/zinc/02/46/93/1023024693.db2.gz DWXIQWVLUUYRMJ-LBPRGKRZSA-N -1 1 324.380 3.757 20 0 DHADMM CN(CCC(C)(C)C)C(=O)c1cc(Br)ccc1[O-] ZINC000399801317 1023027295 /nfs/dbraw/zinc/02/72/95/1023027295.db2.gz BQWULUAXQFGPGD-UHFFFAOYSA-N -1 1 314.223 3.663 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N(Cc1ccco1)c1ccccc1 ZINC000769766278 1023203630 /nfs/dbraw/zinc/20/36/30/1023203630.db2.gz KHDKZPAVJXMODB-UHFFFAOYSA-N -1 1 311.312 3.971 20 0 DHADMM O=C(NC1(c2cccc(F)c2)CC1)c1c([O-])cccc1Cl ZINC000769904455 1023231325 /nfs/dbraw/zinc/23/13/25/1023231325.db2.gz MMCNUMXMDPBWQY-UHFFFAOYSA-N -1 1 305.736 3.604 20 0 DHADMM CCS[C@@H]1CCCC[C@@H]1NC(=O)c1c([O-])cccc1Cl ZINC000769957738 1023244703 /nfs/dbraw/zinc/24/47/03/1023244703.db2.gz OQICGNHHXYQWBF-WCQYABFASA-N -1 1 313.850 3.840 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N(CC(F)F)CC1CCC1 ZINC000770150789 1023282345 /nfs/dbraw/zinc/28/23/45/1023282345.db2.gz YXBROPRJECMLPL-UHFFFAOYSA-N -1 1 303.736 3.553 20 0 DHADMM C[C@@H](Cc1ccccc1Cl)NC(=O)c1c([O-])cccc1F ZINC000771912693 1023488676 /nfs/dbraw/zinc/48/86/76/1023488676.db2.gz SBWFSTFNSGCXKO-JTQLQIEISA-N -1 1 307.752 3.546 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cc1F ZINC000048653101 1023802820 /nfs/dbraw/zinc/80/28/20/1023802820.db2.gz PVNFRGXKPPXYEL-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM O=C(NCC1(c2ccccc2F)CCC1)c1ccc([O-])cc1F ZINC000652521044 1023903602 /nfs/dbraw/zinc/90/36/02/1023903602.db2.gz GXWHXLMRYSESNH-UHFFFAOYSA-N -1 1 317.335 3.522 20 0 DHADMM C[C@H](c1ccccc1Cl)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000251535719 1023924862 /nfs/dbraw/zinc/92/48/62/1023924862.db2.gz NOTGUZXLORUDOH-RNCFNFMXSA-N -1 1 321.726 3.740 20 0 DHADMM CC(C)OC1CCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000531161145 1024038378 /nfs/dbraw/zinc/03/83/78/1024038378.db2.gz RPUUAUFZUGGJOO-UHFFFAOYSA-N -1 1 313.397 3.575 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)cc1F ZINC000780365489 1024162207 /nfs/dbraw/zinc/16/22/07/1024162207.db2.gz LSCCIEJJAYZYPN-UHFFFAOYSA-N -1 1 315.316 3.873 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cccc(-c2ccoc2)c1 ZINC000789930599 1024184409 /nfs/dbraw/zinc/18/44/09/1024184409.db2.gz ZQSWGQJCLIJIJG-UHFFFAOYSA-N -1 1 314.728 3.953 20 0 DHADMM Cc1csc(C(=O)Nc2nc(Cl)ccc2[O-])c1Cl ZINC000790051738 1024214097 /nfs/dbraw/zinc/21/40/97/1024214097.db2.gz SQWMPVKJCUSKAP-UHFFFAOYSA-N -1 1 303.170 3.716 20 0 DHADMM Cc1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])c2n[nH]cc21 ZINC001625912044 1024388485 /nfs/dbraw/zinc/38/84/85/1024388485.db2.gz IDDUANBAZBPWEH-UHFFFAOYSA-N -1 1 309.369 3.953 20 0 DHADMM Cc1ccnc(-c2nc3cc(C(F)(F)F)ccc3c(=O)[n-]2)c1 ZINC000349284675 1024696817 /nfs/dbraw/zinc/69/68/17/1024696817.db2.gz MBMPMBGCUCEYHC-UHFFFAOYSA-N -1 1 305.259 3.725 20 0 DHADMM S=c1nc2ccc(Br)cc2c(OC2CC=CC2)[n-]1 ZINC001228642463 1024701680 /nfs/dbraw/zinc/70/16/80/1024701680.db2.gz VSAVKYQDLDOYFC-UHFFFAOYSA-N -1 1 323.215 3.778 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)Nc1cc(F)ccc1F ZINC001202654828 1024775185 /nfs/dbraw/zinc/77/51/85/1024775185.db2.gz KTNDJLACSNMMBC-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM C/C(=C\C(C)(C)C)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000772822886 1024824772 /nfs/dbraw/zinc/82/47/72/1024824772.db2.gz MSQXSNZIEZCKEC-PKNBQFBNSA-N -1 1 316.353 3.534 20 0 DHADMM Cc1c(CN2CCC[C@@H]2C(=O)[O-])sc2c1cccc2Cl ZINC000263439237 1024998329 /nfs/dbraw/zinc/99/83/29/1024998329.db2.gz VUXZRCNLLLQVTB-GFCCVEGCSA-N -1 1 309.818 3.912 20 0 DHADMM O=c1[nH]cc(-c2nc(-c3ccc([O-])c(F)c3)no2)c2ccccc12 ZINC000350608092 1025066794 /nfs/dbraw/zinc/06/67/94/1025066794.db2.gz JNRUINRSIKCYCQ-UHFFFAOYSA-N -1 1 323.283 3.502 20 0 DHADMM COc1cc(C)ccc1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000320213075 1025108052 /nfs/dbraw/zinc/10/80/52/1025108052.db2.gz QEMOZNVCTJAOFI-UHFFFAOYSA-N -1 1 323.389 3.560 20 0 DHADMM CC(C)(C)[C@H]([N-]C(=O)C(F)(F)Cc1ccccc1)C(F)(F)F ZINC000793572927 1025126043 /nfs/dbraw/zinc/12/60/43/1025126043.db2.gz NXBUHWVQHHMONF-NSHDSACASA-N -1 1 323.305 3.958 20 0 DHADMM COC(=O)c1c(F)cc(-c2ccc(Cl)c([O-])c2)cc1OC ZINC001243582493 1025177779 /nfs/dbraw/zinc/17/77/79/1025177779.db2.gz UDMODURYQYNPSE-UHFFFAOYSA-N -1 1 310.708 3.647 20 0 DHADMM CCC[C@@H](C)N(C)Cc1ccc(C(=O)[O-])cc1Br ZINC000226720121 1025253654 /nfs/dbraw/zinc/25/36/54/1025253654.db2.gz YBZPFUQYRREWMW-SNVBAGLBSA-N -1 1 314.223 3.768 20 0 DHADMM CCCCC[C@H](C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2)C(C)C ZINC001129639951 1025368588 /nfs/dbraw/zinc/36/85/88/1025368588.db2.gz VMKNBAXHXAEDMX-ZDUSSCGKSA-N -1 1 319.449 3.852 20 0 DHADMM C[C@H]1CCC[C@@H](OCC(=O)Nc2cc(F)c([O-])cc2Cl)C1 ZINC000885676520 1025377786 /nfs/dbraw/zinc/37/77/86/1025377786.db2.gz PSTUKFNXJIDWHZ-VHSXEESVSA-N -1 1 315.772 3.719 20 0 DHADMM CC[C@@H]1C[C@@H](CC(=O)Nc2cc(F)c([O-])cc2Cl)CCO1 ZINC000885676898 1025378754 /nfs/dbraw/zinc/37/87/54/1025378754.db2.gz VZVCDEHLJJSILL-VHSXEESVSA-N -1 1 315.772 3.719 20 0 DHADMM CC(C)(C)c1nc(C(=O)Nc2cc(F)c([O-])cc2Cl)co1 ZINC000885680712 1025380816 /nfs/dbraw/zinc/38/08/16/1025380816.db2.gz WUMUQXUFVKUUNA-UHFFFAOYSA-N -1 1 312.728 3.723 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@H]1CCCCCC(=O)C1 ZINC000885678245 1025381867 /nfs/dbraw/zinc/38/18/67/1025381867.db2.gz KQQXHVQSMWUFEJ-VIFPVBQESA-N -1 1 313.756 3.663 20 0 DHADMM CC[C@H](C)CCCCC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129759419 1025410193 /nfs/dbraw/zinc/41/01/93/1025410193.db2.gz NIQCZHIIKNICOF-LBPRGKRZSA-N -1 1 305.422 3.606 20 0 DHADMM CC[C@@H](C)n1ncc([N-]c2nc(C3CCOCC3)ns2)c1C ZINC000663839012 1025435201 /nfs/dbraw/zinc/43/52/01/1025435201.db2.gz GWRUEOZKHGQJAT-SNVBAGLBSA-N -1 1 321.450 3.652 20 0 DHADMM CCn1c(C)cc(C([O-])=C[S@@](=O)Cc2ccccc2C)c1C ZINC000124852540 1025445902 /nfs/dbraw/zinc/44/59/02/1025445902.db2.gz MMCGEEXCOPIPLE-JOCHJYFZSA-N -1 1 317.454 3.565 20 0 DHADMM Cc1ncc(/C=C\C(=O)Nc2cc(F)c([O-])cc2Cl)s1 ZINC001157899449 1025496188 /nfs/dbraw/zinc/49/61/88/1025496188.db2.gz IQSWNKDJDGETNT-IHWYPQMZSA-N -1 1 312.753 3.602 20 0 DHADMM COc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1Cl ZINC000355409716 1025710590 /nfs/dbraw/zinc/71/05/90/1025710590.db2.gz QICOCPLCJOUNMT-UHFFFAOYSA-N -1 1 313.687 3.585 20 0 DHADMM C[C@@H]1CCC[C@H](C)[C@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC001211796398 1026034267 /nfs/dbraw/zinc/03/42/67/1026034267.db2.gz HUTNLWRNICVQDG-ATCWAGBWSA-N -1 1 307.415 3.536 20 0 DHADMM CC(C)c1ncc(CN(C)Cc2cccc([O-])c2Cl)cn1 ZINC000353328874 1026076425 /nfs/dbraw/zinc/07/64/25/1026076425.db2.gz JCWKOZHBIUZKRU-UHFFFAOYSA-N -1 1 305.809 3.591 20 0 DHADMM COc1ccc([C@H]2CCCN2C(=O)c2cc(F)ccc2[O-])cc1 ZINC000093908165 1026133909 /nfs/dbraw/zinc/13/39/09/1026133909.db2.gz NLGOALMPSWPZOQ-MRXNPFEDSA-N -1 1 315.344 3.517 20 0 DHADMM CC(C)CCc1ccc(S(=O)(=O)[N-]c2cccc(O)c2)cc1 ZINC000216471085 1026316305 /nfs/dbraw/zinc/31/63/05/1026316305.db2.gz KSUZKJBVTPLXBB-UHFFFAOYSA-N -1 1 319.426 3.782 20 0 DHADMM CSc1cccc([N-]S(=O)(=O)/C=C/c2ccc(C)cc2)n1 ZINC000808569649 1026328447 /nfs/dbraw/zinc/32/84/47/1026328447.db2.gz FVYIPNJFCKCXEE-ZHACJKMWSA-N -1 1 320.439 3.525 20 0 DHADMM CSc1cccc([N-]S(=O)(=O)/C=C\c2ccc(C)cc2)n1 ZINC000808569648 1026329322 /nfs/dbraw/zinc/32/93/22/1026329322.db2.gz FVYIPNJFCKCXEE-KHPPLWFESA-N -1 1 320.439 3.525 20 0 DHADMM O=c1nc(-c2ncccn2)[n-]c2scc(C3CCCCC3)c21 ZINC000614441064 1026430773 /nfs/dbraw/zinc/43/07/73/1026430773.db2.gz BQIPTIHJSHEIDS-UHFFFAOYSA-N -1 1 312.398 3.902 20 0 DHADMM CC(C)Sc1ccc(Cl)cc1[N-]C(=O)c1cnsn1 ZINC000729411530 1026445774 /nfs/dbraw/zinc/44/57/74/1026445774.db2.gz ZYIJEHYNMUMESV-UHFFFAOYSA-N -1 1 313.835 3.944 20 0 DHADMM CCCc1nc(-c2nc3cc(C(F)(F)F)ccc3c(=O)[n-]2)co1 ZINC000280696175 1026692615 /nfs/dbraw/zinc/69/26/15/1026692615.db2.gz ACMMZPARGLNMPR-UHFFFAOYSA-N -1 1 323.274 3.962 20 0 DHADMM O=C(N[C@@H]1CCCC2(CC2)C1)c1ccc(Br)cc1[O-] ZINC000710206398 1026728591 /nfs/dbraw/zinc/72/85/91/1026728591.db2.gz VZDUWVQIXMQNOC-LLVKDONJSA-N -1 1 324.218 3.607 20 0 DHADMM CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc([O-])c(Cl)c2)CCO1 ZINC000513744836 1026947498 /nfs/dbraw/zinc/94/74/98/1026947498.db2.gz QELXNMVWHWKJJJ-NHYWBVRUSA-N -1 1 311.809 3.825 20 0 DHADMM CCCc1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2C)cc1 ZINC000811835551 1027095716 /nfs/dbraw/zinc/09/57/16/1027095716.db2.gz ARUXGFKOYNYITF-UHFFFAOYSA-N -1 1 324.833 3.797 20 0 DHADMM CCOc1cc(C(=O)NCCCC(C)(F)F)cc(Cl)c1[O-] ZINC000295535940 1027325799 /nfs/dbraw/zinc/32/57/99/1027325799.db2.gz CDQXMZISNNVGGY-UHFFFAOYSA-N -1 1 321.751 3.610 20 0 DHADMM CC(C)c1nsc([N-]C(=O)c2cc3cc(F)ccc3o2)n1 ZINC001133406708 1027378386 /nfs/dbraw/zinc/37/83/86/1027378386.db2.gz XGIPZIWWLNVWBX-UHFFFAOYSA-N -1 1 305.334 3.799 20 0 DHADMM CC(C)n1ccnc1SCc1cc(=O)oc2cc([O-])ccc12 ZINC000295724629 1027407595 /nfs/dbraw/zinc/40/75/95/1027407595.db2.gz LJFSWMRISPQOAW-UHFFFAOYSA-N -1 1 316.382 3.568 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CC=C(c2ccc(F)cc2)CC1 ZINC000362846078 1027412411 /nfs/dbraw/zinc/41/24/11/1027412411.db2.gz FXOOSEJVCVQRRP-UHFFFAOYSA-N -1 1 315.319 3.600 20 0 DHADMM C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000296783157 1027732422 /nfs/dbraw/zinc/73/24/22/1027732422.db2.gz DWMOUDAYFJLCOV-DTWKUNHWSA-N -1 1 321.726 3.849 20 0 DHADMM CCOC(=O)c1cnc(C(C)=Cc2csc(C)c2C)[n-]c1=O ZINC000601043450 1027948187 /nfs/dbraw/zinc/94/81/87/1027948187.db2.gz ALVSNUMQJRGBQH-TWGQIWQCSA-N -1 1 318.398 3.598 20 0 DHADMM CCc1ccc([C@H]2CCCN(C(=O)c3ncc(C)cc3[O-])C2)cc1 ZINC000563468811 1028062367 /nfs/dbraw/zinc/06/23/67/1028062367.db2.gz LZFNPEKNRKYRPN-KRWDZBQOSA-N -1 1 324.424 3.678 20 0 DHADMM CO[C@]1(C)CCCN(C(=O)c2cc3ccccc3cc2[O-])CC1 ZINC000366569699 1028100322 /nfs/dbraw/zinc/10/03/22/1028100322.db2.gz ZTDOQBQWPFBEOD-LJQANCHMSA-N -1 1 313.397 3.577 20 0 DHADMM O=C([O-])c1ccc(CN(Cc2ccoc2)C2CCCCC2)nc1 ZINC000578369707 1028133609 /nfs/dbraw/zinc/13/36/09/1028133609.db2.gz WYCCCEKAMVXCRM-UHFFFAOYSA-N -1 1 314.385 3.708 20 0 DHADMM COC(=O)NCc1ccc(NCc2cccc([O-])c2Cl)cc1 ZINC000815125031 1028368886 /nfs/dbraw/zinc/36/88/86/1028368886.db2.gz RNSSIQBUXHDRCW-UHFFFAOYSA-N -1 1 320.776 3.514 20 0 DHADMM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCc2ccsc2C1 ZINC000579364923 1028393840 /nfs/dbraw/zinc/39/38/40/1028393840.db2.gz FITFVEVCNKQNRU-CQSZACIVSA-N -1 1 307.802 3.586 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CC[C@H](c2ccco2)C1 ZINC000369240275 1028463503 /nfs/dbraw/zinc/46/35/03/1028463503.db2.gz VRYLBNIROAAHJW-AWEZNQCLSA-N -1 1 307.349 3.768 20 0 DHADMM O=C1N[C@@H](c2ccc([O-])c(Cl)c2)Nc2ccc(Cl)cc21 ZINC000049394852 1028465687 /nfs/dbraw/zinc/46/56/87/1028465687.db2.gz WKDHSPIHPSBCFN-ZDUSSCGKSA-N -1 1 309.152 3.553 20 0 DHADMM Cc1cc([C@@H](C)N2Cc3ccccc3C3(CC3)C2)oc1C(=O)[O-] ZINC000565105153 1028539070 /nfs/dbraw/zinc/53/90/70/1028539070.db2.gz OAYRWWCFNKNHJA-CYBMUJFWSA-N -1 1 311.381 3.895 20 0 DHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)C1CCC(=O)CC1 ZINC000628233268 1028951307 /nfs/dbraw/zinc/95/13/07/1028951307.db2.gz SLOIWHYUPGJQRX-UHFFFAOYSA-N -1 1 317.772 3.897 20 0 DHADMM Cc1cccc(CN(C)C(=O)c2c([O-])cccc2Cl)c1C ZINC000816788284 1029006146 /nfs/dbraw/zinc/00/61/46/1029006146.db2.gz AKGVUHYYJLQRAC-UHFFFAOYSA-N -1 1 303.789 3.935 20 0 DHADMM O=C([N-]C1(Cc2ccc(Cl)cc2)CCC1)C(F)(F)C(F)F ZINC000816811354 1029015261 /nfs/dbraw/zinc/01/52/61/1029015261.db2.gz WQWRSXZCRAGTFV-UHFFFAOYSA-N -1 1 323.717 3.822 20 0 DHADMM CCCC[C@@H](C)N(C)c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000568339873 1029048716 /nfs/dbraw/zinc/04/87/16/1029048716.db2.gz LJIQBJROVUACNE-GFCCVEGCSA-N -1 1 314.433 3.876 20 0 DHADMM Cc1ccc(-c2cnccn2)cc1NC(=O)c1cc(F)ccc1[O-] ZINC000373655734 1029108070 /nfs/dbraw/zinc/10/80/70/1029108070.db2.gz RBIXEJZVSNUGPW-UHFFFAOYSA-N -1 1 323.327 3.549 20 0 DHADMM O=C(Nc1cccc(-c2cnco2)c1)c1c(F)ccc([O-])c1F ZINC000373829337 1029144518 /nfs/dbraw/zinc/14/45/18/1029144518.db2.gz AKNUBLWSGMTGKK-UHFFFAOYSA-N -1 1 316.263 3.578 20 0 DHADMM O=C([O-])CCCCCN1CCc2c(cccc2C(F)(F)F)C1 ZINC000629372876 1029315207 /nfs/dbraw/zinc/31/52/07/1029315207.db2.gz WQZSSXNDAUAMGJ-UHFFFAOYSA-N -1 1 315.335 3.709 20 0 DHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)[C@H]1C[C@]12CCOC2 ZINC000529539083 1029376574 /nfs/dbraw/zinc/37/65/74/1029376574.db2.gz PKBCJYLXLHRPMF-PXAZEXFGSA-N -1 1 317.772 3.564 20 0 DHADMM COC(C)(C)CC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529540299 1029379187 /nfs/dbraw/zinc/37/91/87/1029379187.db2.gz XUDBVSRWROQLEE-UHFFFAOYSA-N -1 1 307.777 3.952 20 0 DHADMM O=C([N-]Cc1c(F)cc(F)cc1F)C(F)(F)c1ccccc1 ZINC000818523583 1029397493 /nfs/dbraw/zinc/39/74/93/1029397493.db2.gz SDBJIBCMMPWIGH-UHFFFAOYSA-N -1 1 315.241 3.512 20 0 DHADMM Cc1cc(CN2CC[C@H](c3c(F)cccc3F)C2)oc1C(=O)[O-] ZINC000570855889 1029429641 /nfs/dbraw/zinc/42/96/41/1029429641.db2.gz ZOTPZTZHEONKKH-NSHDSACASA-N -1 1 321.323 3.554 20 0 DHADMM O=C(N[C@H](c1ccccc1)C1CCCCC1)c1ncccc1[O-] ZINC001136235967 1029584961 /nfs/dbraw/zinc/58/49/61/1029584961.db2.gz HJAKDRADKYHSMD-QGZVFWFLSA-N -1 1 310.397 3.839 20 0 DHADMM CC(C)c1cc(C(=O)Nc2cccc(F)c2[O-])nn1C(C)(C)C ZINC000530005255 1029710836 /nfs/dbraw/zinc/71/08/36/1029710836.db2.gz HRTCXXQOIGBKHL-UHFFFAOYSA-N -1 1 319.380 3.859 20 0 DHADMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1csc(C2CCCC2)n1 ZINC000530173659 1029773694 /nfs/dbraw/zinc/77/36/94/1029773694.db2.gz GTZCGYVHDVGQGY-RYUDHWBXSA-N -1 1 322.474 3.874 20 0 DHADMM CCC[C@@H](CC)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000820879007 1029784502 /nfs/dbraw/zinc/78/45/02/1029784502.db2.gz NCZLIAWVDXWANY-CQSZACIVSA-N -1 1 317.429 3.640 20 0 DHADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(OC(C)C)c1 ZINC000451093369 1029789542 /nfs/dbraw/zinc/78/95/42/1029789542.db2.gz VPDCLXVXPTWEEA-UHFFFAOYSA-N -1 1 305.399 3.583 20 0 DHADMM CCCCC1CCC(CNC(=O)C(=O)c2ccc([O-])cc2)CC1 ZINC001136396120 1029790470 /nfs/dbraw/zinc/79/04/70/1029790470.db2.gz KLSDTANZPSJGKU-UHFFFAOYSA-N -1 1 317.429 3.688 20 0 DHADMM CC[C@H](CNC(=O)c1ccc(Cl)cc1[O-])c1ccccc1 ZINC001136514216 1029893632 /nfs/dbraw/zinc/89/36/32/1029893632.db2.gz YUDBYPLDWKTSNR-GFCCVEGCSA-N -1 1 303.789 3.969 20 0 DHADMM CC[C@H](C)CO[N-]C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000794876487 1030080051 /nfs/dbraw/zinc/08/00/51/1030080051.db2.gz VPBMFCKTSZTXIL-QWRGUYRKSA-N -1 1 303.324 3.903 20 0 DHADMM C[C@@H](CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccccc1 ZINC000357670083 1030144542 /nfs/dbraw/zinc/14/45/42/1030144542.db2.gz FRMSSPOHHUEHEH-ZDUSSCGKSA-N -1 1 321.380 3.915 20 0 DHADMM CCCN(CCc1cccc(F)c1)C(=O)c1cccc([O-])c1F ZINC001136738323 1030316878 /nfs/dbraw/zinc/31/68/78/1030316878.db2.gz JAXZDGGKFWQKMU-UHFFFAOYSA-N -1 1 319.351 3.765 20 0 DHADMM Cc1cnc(C(=O)N(C)Cc2csc3ccccc23)c([O-])c1 ZINC000358599235 1030552331 /nfs/dbraw/zinc/55/23/31/1030552331.db2.gz IXZQDFBVMIHUJI-UHFFFAOYSA-N -1 1 312.394 3.583 20 0 DHADMM CN(C(=O)c1ncc2ccccc2c1[O-])C1CCC(F)(F)CC1 ZINC000614893663 1030830714 /nfs/dbraw/zinc/83/07/14/1030830714.db2.gz ZGGPTLNXNDZICT-UHFFFAOYSA-N -1 1 320.339 3.590 20 0 DHADMM CO[C@@H]1CCC[C@@H]1Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000292613362 1031097982 /nfs/dbraw/zinc/09/79/82/1031097982.db2.gz IZDGSRVRXUSWCN-KGLIPLIRSA-N -1 1 316.426 3.817 20 0 DHADMM O=C(NOCCCC(F)(F)F)c1cc2ccccc2cc1[O-] ZINC000871212518 1031161935 /nfs/dbraw/zinc/16/19/35/1031161935.db2.gz WLRCRYPIQHEKQR-UHFFFAOYSA-N -1 1 313.275 3.549 20 0 DHADMM Cc1noc(C(C)C)c1[N-]C(=O)c1csc([C@@H]2CCCO2)n1 ZINC000928785718 1031380711 /nfs/dbraw/zinc/38/07/11/1031380711.db2.gz GLZPGOXOWKWTCU-NSHDSACASA-N -1 1 321.402 3.667 20 0 DHADMM Cc1noc(C(C)C)c1[N-]C(=O)c1cnc([C@H]2CCCO2)s1 ZINC000928785618 1031380941 /nfs/dbraw/zinc/38/09/41/1031380941.db2.gz BZRJNVNICPRQPR-SNVBAGLBSA-N -1 1 321.402 3.667 20 0 DHADMM Cc1noc(C(C)C)c1[N-]C(=O)c1cc(F)c(F)c(F)c1F ZINC000928790134 1031385713 /nfs/dbraw/zinc/38/57/13/1031385713.db2.gz UPPMYQZZWJNONI-UHFFFAOYSA-N -1 1 316.254 3.915 20 0 DHADMM O=C(Cc1ccc([O-])c(Cl)c1)Nc1cnn(C2CCCC2)c1 ZINC000928799185 1031392087 /nfs/dbraw/zinc/39/20/87/1031392087.db2.gz XGWGHXRGWLDALH-UHFFFAOYSA-N -1 1 319.792 3.538 20 0 DHADMM CC1CCC(CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CC1 ZINC000360511510 1031453512 /nfs/dbraw/zinc/45/35/12/1031453512.db2.gz NJIQRSXLPCZLAR-UHFFFAOYSA-N -1 1 313.401 3.937 20 0 DHADMM CCc1ccc([C@@H](COC)NCc2cccc([O-])c2Cl)o1 ZINC000293495751 1031492319 /nfs/dbraw/zinc/49/23/19/1031492319.db2.gz GVEDQTLNDBCLME-CYBMUJFWSA-N -1 1 309.793 3.678 20 0 DHADMM Cc1ccc(CN2C[C@@H](C)OC3(CCCCC3)C2)cc1C(=O)[O-] ZINC000872160478 1031541162 /nfs/dbraw/zinc/54/11/62/1031541162.db2.gz HKKHYKPQWOIFCN-OAHLLOKOSA-N -1 1 317.429 3.617 20 0 DHADMM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1CNC(=O)c1cccc([O-])c1F ZINC001626145387 1031633264 /nfs/dbraw/zinc/63/32/64/1031633264.db2.gz ISCCQSTYMKAFMA-MCIONIFRSA-N -1 1 307.409 3.970 20 0 DHADMM CC1(C)CCC2(CCN(Cc3c(F)cc([O-])cc3F)CC2)O1 ZINC001144561989 1031714157 /nfs/dbraw/zinc/71/41/57/1031714157.db2.gz SWECVZQEYPDECR-UHFFFAOYSA-N -1 1 311.372 3.594 20 0 DHADMM COc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)c(C)c1 ZINC000445464856 1031740851 /nfs/dbraw/zinc/74/08/51/1031740851.db2.gz VRVNXJHYJMNWKI-UHFFFAOYSA-N -1 1 300.289 3.565 20 0 DHADMM CN(Cc1nc2ccccc2s1)Cc1cc(F)c([O-])cc1F ZINC001144648203 1031789562 /nfs/dbraw/zinc/78/95/62/1031789562.db2.gz QMGGOVFERBSOAG-UHFFFAOYSA-N -1 1 320.364 3.912 20 0 DHADMM C[C@@H](CC(C)(C)C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000361386754 1031901957 /nfs/dbraw/zinc/90/19/57/1031901957.db2.gz OPCAWWNWBUWPBD-NSHDSACASA-N -1 1 301.390 3.793 20 0 DHADMM C[C@H](NC(=O)c1ccc(Br)cc1[O-])c1ccccc1 ZINC000044490181 1032050982 /nfs/dbraw/zinc/05/09/82/1032050982.db2.gz YHLJVDFIIVSALJ-JTQLQIEISA-N -1 1 320.186 3.646 20 0 DHADMM Cc1ccc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)cc1F ZINC001212688506 1033445468 /nfs/dbraw/zinc/44/54/68/1033445468.db2.gz FWWOOYKJPMDQII-UHFFFAOYSA-N -1 1 312.226 3.593 20 0 DHADMM Cc1ccc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)cc1F ZINC001212688506 1033445474 /nfs/dbraw/zinc/44/54/74/1033445474.db2.gz FWWOOYKJPMDQII-UHFFFAOYSA-N -1 1 312.226 3.593 20 0 DHADMM Cc1cc(F)ccc1-c1noc(-c2ncc(C(F)(F)F)[n-]2)n1 ZINC001212690109 1033462419 /nfs/dbraw/zinc/46/24/19/1033462419.db2.gz YKOVAZLFJQWVTI-UHFFFAOYSA-N -1 1 312.226 3.593 20 0 DHADMM Cc1cc(F)ccc1-c1noc(-c2nc(C(F)(F)F)c[n-]2)n1 ZINC001212690109 1033462426 /nfs/dbraw/zinc/46/24/26/1033462426.db2.gz YKOVAZLFJQWVTI-UHFFFAOYSA-N -1 1 312.226 3.593 20 0 DHADMM CCCOC1(CN=c2nc(C(F)(F)F)[n-]s2)CCCCC1 ZINC000553152456 1033613909 /nfs/dbraw/zinc/61/39/09/1033613909.db2.gz RUEKMGOXYBOPGK-UHFFFAOYSA-N -1 1 323.384 3.520 20 0 DHADMM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cc(F)ccc1[O-] ZINC001137144228 1033988578 /nfs/dbraw/zinc/98/85/78/1033988578.db2.gz OKWDUSAYHXVMFE-BTDLBPIBSA-N -1 1 317.335 3.724 20 0 DHADMM CCCCNC(=O)c1ccc(Nc2c([O-])cc(F)cc2F)cc1 ZINC001174123785 1034145857 /nfs/dbraw/zinc/14/58/57/1034145857.db2.gz VAUKXYNAAOKUCC-UHFFFAOYSA-N -1 1 320.339 3.944 20 0 DHADMM CCN(C)C(=O)c1ccc(Nc2cc(F)c([O-])cc2F)cc1 ZINC001174322618 1034286758 /nfs/dbraw/zinc/28/67/58/1034286758.db2.gz SPDWVMZZNXUSPV-UHFFFAOYSA-N -1 1 306.312 3.506 20 0 DHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2cc(C)sc2C)c1 ZINC001174421727 1034368679 /nfs/dbraw/zinc/36/86/79/1034368679.db2.gz JMYJBAOWCAZMRR-UHFFFAOYSA-N -1 1 311.428 3.608 20 0 DHADMM CCc1cnc(CN[C@H](CC(=O)[O-])c2ccccc2CC)s1 ZINC000864527879 1034376876 /nfs/dbraw/zinc/37/68/76/1034376876.db2.gz JLWLEBYSYAUUIE-OAHLLOKOSA-N -1 1 318.442 3.574 20 0 DHADMM [O-]c1cc(Nc2ccc(N3CCCCC3)nc2)cc(F)c1F ZINC001174523284 1034481750 /nfs/dbraw/zinc/48/17/50/1034481750.db2.gz HTZQQTJWBUVJFU-UHFFFAOYSA-N -1 1 305.328 3.799 20 0 DHADMM COCCn1cc(Nc2cc(Cl)c(C)c(Cl)c2[O-])cn1 ZINC001174552426 1034503697 /nfs/dbraw/zinc/50/36/97/1034503697.db2.gz MIYGEGXTJNJCJY-UHFFFAOYSA-N -1 1 316.188 3.594 20 0 DHADMM Cc1nc(SCc2cccc(Cl)n2)[n-]c(=O)c1C1CC1 ZINC000865373355 1034613591 /nfs/dbraw/zinc/61/35/91/1034613591.db2.gz QGNFPUGDKKUUHZ-UHFFFAOYSA-N -1 1 307.806 3.709 20 0 DHADMM Cc1nc(SCCC2SCCS2)[n-]c(=O)c1C1CC1 ZINC000865372994 1034614455 /nfs/dbraw/zinc/61/44/55/1034614455.db2.gz BIDRGCUBSINPKB-UHFFFAOYSA-N -1 1 314.501 3.656 20 0 DHADMM CCOc1cc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)cc(Cl)c1[O-] ZINC000186835384 1034666988 /nfs/dbraw/zinc/66/69/88/1034666988.db2.gz ORXILLPRIJFFJG-FZMZJTMJSA-N -1 1 323.820 3.849 20 0 DHADMM CC[C@@H](C)CO[N-]C(=O)[C@H](C)c1cccc(Br)c1 ZINC000794844016 1034684716 /nfs/dbraw/zinc/68/47/16/1034684716.db2.gz VJLWMYPMPXHKIL-GHMZBOCLSA-N -1 1 314.223 3.647 20 0 DHADMM CCOc1cc(F)cc(Nc2cc3ccc([O-])cc3oc2=O)c1 ZINC001175003332 1034728420 /nfs/dbraw/zinc/72/84/20/1034728420.db2.gz ZGYJELUGZILNJF-UHFFFAOYSA-N -1 1 315.300 3.780 20 0 DHADMM COc1cc(C)c(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1C ZINC001175116073 1034791588 /nfs/dbraw/zinc/79/15/88/1034791588.db2.gz FSVCQFGVRZWIFZ-UHFFFAOYSA-N -1 1 309.369 3.947 20 0 DHADMM CCOc1cc(F)ccc1Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001175293882 1034903477 /nfs/dbraw/zinc/90/34/77/1034903477.db2.gz SFGXQZCFNVERCA-UHFFFAOYSA-N -1 1 313.332 3.859 20 0 DHADMM CC(C)OC(=O)c1ccc(Nc2c([O-])cc(F)cc2F)cc1 ZINC001175258915 1034908962 /nfs/dbraw/zinc/90/89/62/1034908962.db2.gz FNCIACCECMYPPM-UHFFFAOYSA-N -1 1 307.296 3.979 20 0 DHADMM C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000668060076 1035123499 /nfs/dbraw/zinc/12/34/99/1035123499.db2.gz RNHQRRDNYWAEHU-KXUCPTDWSA-N -1 1 301.308 3.528 20 0 DHADMM O=c1oc2cc([O-])ccc2cc1Nc1ccc2scnc2c1 ZINC001175915945 1035160182 /nfs/dbraw/zinc/16/01/82/1035160182.db2.gz XJKLESUHNWSKHW-UHFFFAOYSA-N -1 1 310.334 3.852 20 0 DHADMM CCOc1ccc2ccccc2c1-n1[n-]c(=O)c2ccc(N)cc21 ZINC001175980755 1035172628 /nfs/dbraw/zinc/17/26/28/1035172628.db2.gz QSOYZNZNYSWSSV-UHFFFAOYSA-N -1 1 319.364 3.865 20 0 DHADMM Cc1ncc(Nc2cc(Br)cc(Cl)c2[O-])cn1 ZINC001176400825 1035266610 /nfs/dbraw/zinc/26/66/10/1035266610.db2.gz KEKZYOLYXRZWBQ-UHFFFAOYSA-N -1 1 314.570 3.650 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cc(-c3ccncc3)no2)c1F ZINC001176664231 1035308641 /nfs/dbraw/zinc/30/86/41/1035308641.db2.gz NVYNIIXJCRQIAS-UHFFFAOYSA-N -1 1 307.231 3.603 20 0 DHADMM CC(C)c1cc2ncc(Nc3c(F)cc(F)c([O-])c3F)cn2n1 ZINC001176663848 1035308662 /nfs/dbraw/zinc/30/86/62/1035308662.db2.gz NRIUOSNBMJJNRK-UHFFFAOYSA-N -1 1 322.290 3.719 20 0 DHADMM O=c1cc(Nc2c(F)cc(F)c([O-])c2F)n(C2CCCC2)[nH]1 ZINC001176663896 1035309441 /nfs/dbraw/zinc/30/94/41/1035309441.db2.gz NKOMKPGZGXKPGJ-UHFFFAOYSA-N -1 1 313.279 3.570 20 0 DHADMM Cc1nc(-c2ccc(Nc3c(F)cc(F)c([O-])c3F)cc2)no1 ZINC001176671480 1035309870 /nfs/dbraw/zinc/30/98/70/1035309870.db2.gz ZYTYDHITGHYBHK-UHFFFAOYSA-N -1 1 321.258 3.912 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cncc(OC(F)F)c2)c1F ZINC001176670108 1035309889 /nfs/dbraw/zinc/30/98/89/1035309889.db2.gz RLFMMSBSHNFZEH-UHFFFAOYSA-N -1 1 306.190 3.550 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ccnc(OC(F)(F)F)c2)c1F ZINC001176669135 1035310108 /nfs/dbraw/zinc/31/01/08/1035310108.db2.gz DUBZQGQXKOXARE-UHFFFAOYSA-N -1 1 324.180 3.847 20 0 DHADMM Nc1cc(F)cc(Cl)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176671269 1035310526 /nfs/dbraw/zinc/31/05/26/1035310526.db2.gz VYGUOSOMOYLTLT-UHFFFAOYSA-N -1 1 306.646 3.928 20 0 DHADMM CCOC(=O)c1ccccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176672947 1035311451 /nfs/dbraw/zinc/31/14/51/1035311451.db2.gz OJMVODUFABJBGU-UHFFFAOYSA-N -1 1 311.259 3.730 20 0 DHADMM COc1cc(F)c(F)cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176672876 1035311549 /nfs/dbraw/zinc/31/15/49/1035311549.db2.gz MTXHIRBRRQZGKB-UHFFFAOYSA-N -1 1 305.202 3.840 20 0 DHADMM CN1Cc2cc(Nc3c(F)cc(F)c([O-])c3F)ccc2NC1=O ZINC001176674270 1035311804 /nfs/dbraw/zinc/31/18/04/1035311804.db2.gz TUSCCIRPMSVKQH-UHFFFAOYSA-N -1 1 323.274 3.530 20 0 DHADMM C[C@@H](c1ccccn1)N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000194722888 1035313626 /nfs/dbraw/zinc/31/36/26/1035313626.db2.gz PMJLRUJFAINLBW-ZDUSSCGKSA-N -1 1 306.365 3.774 20 0 DHADMM CSc1nc(Nc2ccc(-c3ccncc3)cc2)cc(=O)[n-]1 ZINC001176697874 1035314944 /nfs/dbraw/zinc/31/49/44/1035314944.db2.gz RLCTWBFQBOAOCC-UHFFFAOYSA-N -1 1 310.382 3.710 20 0 DHADMM O=C([O-])[C@H](NCc1ccc(C(F)(F)F)s1)c1ccsc1 ZINC000904002172 1035336857 /nfs/dbraw/zinc/33/68/57/1035336857.db2.gz OZFFMYRTQQGNHY-SNVBAGLBSA-N -1 1 321.345 3.744 20 0 DHADMM C[C@H](Cc1ccccc1F)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001176988627 1035339381 /nfs/dbraw/zinc/33/93/81/1035339381.db2.gz REQKXHGKEMIAGQ-LLVKDONJSA-N -1 1 321.779 3.680 20 0 DHADMM COc1ccccc1-c1noc(Cc2ccc([O-])c(Cl)c2)n1 ZINC000904266928 1035389893 /nfs/dbraw/zinc/38/98/93/1035389893.db2.gz DARGLSUHCFPSFM-UHFFFAOYSA-N -1 1 316.744 3.695 20 0 DHADMM CC(C)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)c([O-])c1 ZINC001177919484 1035399046 /nfs/dbraw/zinc/39/90/46/1035399046.db2.gz UBDOWYHKOFVVCL-INIZCTEOSA-N -1 1 301.361 3.528 20 0 DHADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@H]1CCc2c1cccc2F ZINC001178078802 1035409357 /nfs/dbraw/zinc/40/93/57/1035409357.db2.gz GLRCTAFRWOFENC-HNNXBMFYSA-N -1 1 319.763 3.531 20 0 DHADMM CCc1cc(=O)[n-]c(S[C@@H](CC)c2ccc(F)cc2F)n1 ZINC000195077268 1035410399 /nfs/dbraw/zinc/41/03/99/1035410399.db2.gz CEBRGLKDSNVZTO-ZDUSSCGKSA-N -1 1 310.369 3.854 20 0 DHADMM CCc1ccc(C(=O)Nc2nn(C(C)C)cc2Cl)c([O-])c1 ZINC001178199104 1035414320 /nfs/dbraw/zinc/41/43/20/1035414320.db2.gz XHUXZGYMLMHKRX-UHFFFAOYSA-N -1 1 307.781 3.638 20 0 DHADMM CC(C)CC[C@@H](C)NC(=O)c1ccc(Br)cc1[O-] ZINC000069234768 1035478313 /nfs/dbraw/zinc/47/83/13/1035478313.db2.gz KHJYLYUUADOZNJ-SNVBAGLBSA-N -1 1 314.223 3.709 20 0 DHADMM O=C(c1cccc([O-])c1F)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC001179488591 1035480569 /nfs/dbraw/zinc/48/05/69/1035480569.db2.gz JCGIZMABMWSGMF-QYMJWVLRSA-N -1 1 311.356 3.849 20 0 DHADMM Cc1ccc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)c(C)c1 ZINC000485378745 1035576128 /nfs/dbraw/zinc/57/61/28/1035576128.db2.gz CWLSZMOXYHMXTL-UHFFFAOYSA-N -1 1 319.364 3.510 20 0 DHADMM [O-]c1cc(Nc2cccnc2OC(F)(F)F)c(F)c(F)c1F ZINC001249961145 1035622366 /nfs/dbraw/zinc/62/23/66/1035622366.db2.gz IENDYDMELQSYKI-UHFFFAOYSA-N -1 1 324.180 3.847 20 0 DHADMM O=C([O-])c1ccc(CN[C@H]2CCCc3ccc(Cl)cc32)nc1 ZINC000905723267 1035626693 /nfs/dbraw/zinc/62/66/93/1035626693.db2.gz BZAFXYFHXYEZLW-INIZCTEOSA-N -1 1 316.788 3.600 20 0 DHADMM COc1ccc(F)c(NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000190975281 1035650530 /nfs/dbraw/zinc/65/05/30/1035650530.db2.gz CFLQBNYXVRARNQ-UHFFFAOYSA-N -1 1 310.712 3.837 20 0 DHADMM CCCCCOC(=O)Nc1ccc([O-])c(Br)c1 ZINC001193768090 1035732808 /nfs/dbraw/zinc/73/28/08/1035732808.db2.gz DKYDIPLTXMEEAW-UHFFFAOYSA-N -1 1 302.168 3.893 20 0 DHADMM CC[C@H](C)c1ccc([N-]S(=O)(=O)c2ccccc2N)cc1 ZINC001193886121 1035752819 /nfs/dbraw/zinc/75/28/19/1035752819.db2.gz ZBLYSLNTTODACF-LBPRGKRZSA-N -1 1 304.415 3.583 20 0 DHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1cccc2cnccc21 ZINC001194602481 1035967762 /nfs/dbraw/zinc/96/77/62/1035967762.db2.gz GOSSXWUNBUONCG-UHFFFAOYSA-N -1 1 312.394 3.652 20 0 DHADMM C[C@]12CCN(Cc3ccc([O-])c(F)c3F)C[C@H]1C2(Cl)Cl ZINC001181729931 1035972987 /nfs/dbraw/zinc/97/29/87/1035972987.db2.gz QFKDAKSQCWOCLL-MFKMUULPSA-N -1 1 322.182 3.686 20 0 DHADMM CCC(CC)COC(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001194685293 1035993700 /nfs/dbraw/zinc/99/37/00/1035993700.db2.gz PEDMAJQZZSXTLF-UHFFFAOYSA-N -1 1 303.362 3.563 20 0 DHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc3ocnc3c2)c1 ZINC001195153802 1036160224 /nfs/dbraw/zinc/16/02/24/1036160224.db2.gz QTJSLOUTPBUXNO-UHFFFAOYSA-N -1 1 316.382 3.752 20 0 DHADMM Cc1cc(C)cc(OCC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000540959838 1036199594 /nfs/dbraw/zinc/19/95/94/1036199594.db2.gz NPIBIQYVNQESKI-UHFFFAOYSA-N -1 1 305.761 3.680 20 0 DHADMM Cc1ccc([O-])c(C(=O)Nc2ccc(-c3ccc(N)cc3)cc2)n1 ZINC001195325317 1036203437 /nfs/dbraw/zinc/20/34/37/1036203437.db2.gz ADWYIMUHVZABOJ-UHFFFAOYSA-N -1 1 319.364 3.597 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1ccc(-c2csc(C)n2)cc1 ZINC001195483348 1036263485 /nfs/dbraw/zinc/26/34/85/1036263485.db2.gz BPGIKNORAJGSRX-UHFFFAOYSA-N -1 1 321.427 3.561 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1cccc2c1[C@@H](C)CC2(C)C ZINC001195490048 1036269915 /nfs/dbraw/zinc/26/99/15/1036269915.db2.gz BSMGUFCENPNOPX-JTQLQIEISA-N -1 1 306.431 3.914 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1c(C)cc(Cl)cc1Cl ZINC001195486596 1036270366 /nfs/dbraw/zinc/27/03/66/1036270366.db2.gz IJKXAEVJXPLVBE-UHFFFAOYSA-N -1 1 307.202 3.745 20 0 DHADMM Cc1coc(C(=O)[N-]c2cc(-c3ccc(Cl)s3)on2)n1 ZINC001195751574 1036340898 /nfs/dbraw/zinc/34/08/98/1036340898.db2.gz HAJQMAKPPSUSNE-UHFFFAOYSA-N -1 1 309.734 3.605 20 0 DHADMM Cc1cccc2cccc([N-]S(=O)(=O)c3ccc(O)cc3)c12 ZINC001195810023 1036354665 /nfs/dbraw/zinc/35/46/65/1036354665.db2.gz BBUBOOPTRQTXOS-UHFFFAOYSA-N -1 1 313.378 3.655 20 0 DHADMM CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(Br)c([O-])c1 ZINC000231348856 1036433601 /nfs/dbraw/zinc/43/36/01/1036433601.db2.gz IEKDROCTJYDYPH-ZJUUUORDSA-N -1 1 314.223 3.709 20 0 DHADMM C[C@H]1CC[C@@H](CC(=O)Nc2cccc([O-])c2Br)C1 ZINC000908709302 1036490477 /nfs/dbraw/zinc/49/04/77/1036490477.db2.gz NNFPZCACRYTZDI-VHSXEESVSA-N -1 1 312.207 3.920 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000908708264 1036485555 /nfs/dbraw/zinc/48/55/55/1036485555.db2.gz SXCPAXPAFOHZGV-BBBLOLIVSA-N -1 1 310.191 3.529 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)[C@H]1CC2CCC1CC2 ZINC000908707779 1036485768 /nfs/dbraw/zinc/48/57/68/1036485768.db2.gz KOQWBQZVBJWDJQ-ILDUYXDCSA-N -1 1 324.218 3.920 20 0 DHADMM [O-]c1ccc(F)cc1-c1nc(Cc2cccc(F)c2Cl)no1 ZINC000762132687 1036547016 /nfs/dbraw/zinc/54/70/16/1036547016.db2.gz STDRYWFQJXEBSU-UHFFFAOYSA-N -1 1 322.698 3.965 20 0 DHADMM O=C(Nc1ccc(OC(F)F)cc1F)c1ccc([O-])c(F)c1 ZINC000669934625 1036563397 /nfs/dbraw/zinc/56/33/97/1036563397.db2.gz OGARILABWZQNDY-UHFFFAOYSA-N -1 1 315.222 3.524 20 0 DHADMM CC(=O)c1ccc(NC(=S)Nc2cc(F)c([O-])cc2F)cc1 ZINC001196562148 1036568027 /nfs/dbraw/zinc/56/80/27/1036568027.db2.gz JGZNWVBLRDCWAH-UHFFFAOYSA-N -1 1 322.336 3.682 20 0 DHADMM COc1ccc(C(=O)Nc2ccc(-c3coc(C)n3)cc2)c([O-])c1 ZINC000029955488 1036583246 /nfs/dbraw/zinc/58/32/46/1036583246.db2.gz GXFKNMZWVRZCNC-UHFFFAOYSA-N -1 1 324.336 3.617 20 0 DHADMM CC(C)c1ccc(C2(C(=O)Nc3c[n-][nH]c3=O)CCCC2)cc1 ZINC001183562572 1036621130 /nfs/dbraw/zinc/62/11/30/1036621130.db2.gz JHFCKLNSMRHFSX-UHFFFAOYSA-N -1 1 313.401 3.689 20 0 DHADMM CC(C)(C)SCCCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909984045 1036736111 /nfs/dbraw/zinc/73/61/11/1036736111.db2.gz HYAFLLZTTILCCF-UHFFFAOYSA-N -1 1 303.374 3.921 20 0 DHADMM C[C@]1(CC(=O)Nc2cc([O-])c(F)cc2F)CC1(Cl)Cl ZINC000909988132 1036741326 /nfs/dbraw/zinc/74/13/26/1036741326.db2.gz WXSYZFCGFAZOSU-NSHDSACASA-N -1 1 310.127 3.583 20 0 DHADMM Cc1ccc(C(=O)Nc2cc([O-])c(F)cc2F)c(C2CC2)n1 ZINC000909987938 1036741959 /nfs/dbraw/zinc/74/19/59/1036741959.db2.gz OPMZHSOIQTWZMM-UHFFFAOYSA-N -1 1 304.296 3.504 20 0 DHADMM Cc1nc(SCc2nc(Cl)ccc2Cl)[n-]c(=O)c1C ZINC000762477593 1036787815 /nfs/dbraw/zinc/78/78/15/1036787815.db2.gz PVLGRZVLTFCULN-UHFFFAOYSA-N -1 1 316.213 3.793 20 0 DHADMM O=S(=O)(Cc1cc(Cl)ccc1Cl)[N-]c1cccs1 ZINC001197502756 1036793232 /nfs/dbraw/zinc/79/32/32/1036793232.db2.gz OAIDXSYLIAXYDO-UHFFFAOYSA-N -1 1 322.238 3.997 20 0 DHADMM CC(C)CCC[C@@H](C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC001184532919 1036865146 /nfs/dbraw/zinc/86/51/46/1036865146.db2.gz BCMQANPWODKERM-CYBMUJFWSA-N -1 1 309.431 3.926 20 0 DHADMM O=C(C[C@@]12CCCC[C@@H]1C2(F)F)Nc1cc(F)cc(F)c1[O-] ZINC000910985465 1037020540 /nfs/dbraw/zinc/02/05/40/1037020540.db2.gz CNWOXQOZYLGKJZ-FZMZJTMJSA-N -1 1 317.282 3.825 20 0 DHADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000910981889 1037020569 /nfs/dbraw/zinc/02/05/69/1037020569.db2.gz SUMJLKWBNOEOPK-YUMQZZPRSA-N -1 1 323.261 3.978 20 0 DHADMM CCC(CC)n1nc(C(=O)Nc2cc(F)cc(F)c2[O-])cc1C ZINC000910984226 1037020755 /nfs/dbraw/zinc/02/07/55/1037020755.db2.gz URPFCHUGYOPSQI-UHFFFAOYSA-N -1 1 323.343 3.789 20 0 DHADMM O=C(Nc1ccc(F)c(F)c1)Nc1cc(F)c([O-])cc1F ZINC001185097368 1037026104 /nfs/dbraw/zinc/02/61/04/1037026104.db2.gz AEGQKIJNFBEXSV-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM O=C([O-])CC[C@H]1CCCCN1Cc1csc(-c2ccco2)n1 ZINC000315622301 1037047871 /nfs/dbraw/zinc/04/78/71/1037047871.db2.gz OJPMZLMUXWRGRZ-CYBMUJFWSA-N -1 1 320.414 3.622 20 0 DHADMM Cc1cc(F)c(F)cc1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198861987 1037148556 /nfs/dbraw/zinc/14/85/56/1037148556.db2.gz ONFASJMIHUDMQJ-UHFFFAOYSA-N -1 1 323.320 3.820 20 0 DHADMM Cc1cc(F)cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c1 ZINC001185524822 1037170722 /nfs/dbraw/zinc/17/07/22/1037170722.db2.gz MNSMBYUBELDODD-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM CCCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)cc1 ZINC000032588528 1037172932 /nfs/dbraw/zinc/17/29/32/1037172932.db2.gz VYCKQMFPGVAPDW-UHFFFAOYSA-N -1 1 323.389 3.588 20 0 DHADMM O=C(Nc1cc(C(F)(F)F)ccc1F)Nc1ncccc1[O-] ZINC001185587193 1037188921 /nfs/dbraw/zinc/18/89/21/1037188921.db2.gz CSBMDFAPGYLRRZ-UHFFFAOYSA-N -1 1 315.226 3.589 20 0 DHADMM O=S(=O)([N-]c1cccc2ccccc21)c1ccc2n[nH]cc2c1 ZINC001185989980 1037275679 /nfs/dbraw/zinc/27/56/79/1037275679.db2.gz ANRFSUOYPXYMIT-UHFFFAOYSA-N -1 1 323.377 3.517 20 0 DHADMM Cc1nc2c(F)cccc2cc1NC(=O)c1ccc([O-])c(F)c1 ZINC001186209581 1037343118 /nfs/dbraw/zinc/34/31/18/1037343118.db2.gz YOEQPJKPKOQWNV-UHFFFAOYSA-N -1 1 314.291 3.779 20 0 DHADMM Cc1nc2c(F)cccc2cc1NC(=O)c1ccc([O-])cc1F ZINC001186318050 1037356126 /nfs/dbraw/zinc/35/61/26/1037356126.db2.gz DEFWOXBHYSDCOZ-UHFFFAOYSA-N -1 1 314.291 3.779 20 0 DHADMM O=C(Nc1cccc2c(Cl)ccnc12)c1ccc([O-])cc1F ZINC001186328466 1037360388 /nfs/dbraw/zinc/36/03/88/1037360388.db2.gz CULYJINVYYYDKX-UHFFFAOYSA-N -1 1 316.719 3.985 20 0 DHADMM CCN(CC)c1ccc(NC(=O)c2ccc([O-])cc2F)c(C)c1 ZINC001186329338 1037374792 /nfs/dbraw/zinc/37/47/92/1037374792.db2.gz QTROQCAXOXMTSF-UHFFFAOYSA-N -1 1 316.376 3.938 20 0 DHADMM CC1CCC(C)([N-]S(=O)(=O)c2sccc2Cl)CC1 ZINC001186369607 1037375088 /nfs/dbraw/zinc/37/50/88/1037375088.db2.gz UQVDZFMRSYZPKC-UHFFFAOYSA-N -1 1 307.868 3.649 20 0 DHADMM O=C(Nc1cc(Cl)cc2ncoc21)c1ccc([O-])cc1F ZINC001186337896 1037378593 /nfs/dbraw/zinc/37/85/93/1037378593.db2.gz ZOFUHZYPGAPZLG-UHFFFAOYSA-N -1 1 306.680 3.578 20 0 DHADMM O=C(Nc1c(F)cc([O-])cc1F)N[C@H]1CCCc2ccccc21 ZINC001186461977 1037425591 /nfs/dbraw/zinc/42/55/91/1037425591.db2.gz VRMFWLAPQJEMTL-HNNXBMFYSA-N -1 1 318.323 3.870 20 0 DHADMM Cc1cc(NC(=S)Nc2c(F)cc([O-])cc2F)ccc1F ZINC001201039389 1037517394 /nfs/dbraw/zinc/51/73/94/1037517394.db2.gz GIEMYQSSQOERBA-UHFFFAOYSA-N -1 1 312.316 3.927 20 0 DHADMM O=C(/C=C/C1CC1)Nc1c([O-])cc(Br)cc1Cl ZINC000493734490 1037544113 /nfs/dbraw/zinc/54/41/13/1037544113.db2.gz AIVIYEMEDYYSRV-ONEGZZNKSA-N -1 1 316.582 3.713 20 0 DHADMM [O-]c1cc(Nc2cnn(Cc3ccccn3)c2)c(F)cc1Cl ZINC001201419598 1037658220 /nfs/dbraw/zinc/65/82/20/1037658220.db2.gz KNAZRURLAOAATD-UHFFFAOYSA-N -1 1 318.739 3.568 20 0 DHADMM O=C(Nc1cc(F)cc(F)c1)Nc1cc(F)c(F)cc1[O-] ZINC001187577422 1037665999 /nfs/dbraw/zinc/66/59/99/1037665999.db2.gz KZBCXZWDNZPBAT-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM C[C@H]1CC(C)(C)CC[C@@H]1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC001187760738 1037721745 /nfs/dbraw/zinc/72/17/45/1037721745.db2.gz OEYXPAQAKJVDBM-JSGCOSHPSA-N -1 1 321.442 3.926 20 0 DHADMM Cc1ccc2ccccc2c1NC(=O)c1n[n-]nc1C(F)(F)F ZINC001187757166 1037723637 /nfs/dbraw/zinc/72/36/37/1037723637.db2.gz WJWJBXIROPJFRT-UHFFFAOYSA-N -1 1 320.274 3.537 20 0 DHADMM Cc1nc(-c2cccc(NCc3cccc([O-])c3Cl)c2)n[nH]1 ZINC000328236076 1037726414 /nfs/dbraw/zinc/72/64/14/1037726414.db2.gz PRWWHJKUAQIKSM-UHFFFAOYSA-N -1 1 314.776 3.751 20 0 DHADMM O=S(=O)([N-]c1ccccc1Oc1ccccc1)C1CCC1 ZINC001188129991 1037821063 /nfs/dbraw/zinc/82/10/63/1037821063.db2.gz CNSTZIMVMVVJMB-UHFFFAOYSA-N -1 1 303.383 3.773 20 0 DHADMM [O-]c1cccc(CNc2ccc(Cn3cccn3)cc2)c1Cl ZINC000328500986 1037830492 /nfs/dbraw/zinc/83/04/92/1037830492.db2.gz XFYNPBAJTTXHKD-UHFFFAOYSA-N -1 1 313.788 3.903 20 0 DHADMM COc1ccc(NC(=O)Nc2c([O-])cccc2F)cc1Cl ZINC001188472802 1037908427 /nfs/dbraw/zinc/90/84/27/1037908427.db2.gz MLPRBDVCJBNROF-UHFFFAOYSA-N -1 1 310.712 3.837 20 0 DHADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2CC)c1 ZINC000187580661 1037974818 /nfs/dbraw/zinc/97/48/18/1037974818.db2.gz NLXMGMSVDISNFC-UHFFFAOYSA-N -1 1 317.410 3.643 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(=O)[nH]c2ccccc21 ZINC000126118124 1038035041 /nfs/dbraw/zinc/03/50/41/1038035041.db2.gz DLCIOKOADISTQO-UHFFFAOYSA-N -1 1 314.728 3.552 20 0 DHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C3CC3)c2)c1 ZINC001189240080 1038095714 /nfs/dbraw/zinc/09/57/14/1038095714.db2.gz YJRVAKPLYUHXEN-UHFFFAOYSA-N -1 1 315.394 3.567 20 0 DHADMM O=S(=O)([N-]c1ccccc1)c1ccc(CC(F)(F)F)cc1 ZINC000189222144 1038103362 /nfs/dbraw/zinc/10/33/62/1038103362.db2.gz UXZUAGLVLANBOX-UHFFFAOYSA-N -1 1 315.316 3.592 20 0 DHADMM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)Nc1cccc(F)c1[O-] ZINC001151771216 1038170505 /nfs/dbraw/zinc/17/05/05/1038170505.db2.gz FAZDQVAWFXZPSK-IOASZLSFSA-N -1 1 323.408 3.947 20 0 DHADMM CCOc1cc(C(=O)N(C)Cc2ccccc2)cc(Cl)c1[O-] ZINC000192968931 1038191892 /nfs/dbraw/zinc/19/18/92/1038191892.db2.gz FWMMOWGRAKHECA-UHFFFAOYSA-N -1 1 319.788 3.717 20 0 DHADMM Cc1cccc(Oc2ccccc2)c1[N-]S(=O)(=O)CCCF ZINC001189906949 1038229539 /nfs/dbraw/zinc/22/95/39/1038229539.db2.gz WSAIDYLUIZYPGV-UHFFFAOYSA-N -1 1 323.389 3.889 20 0 DHADMM CC(C)c1ccccc1C(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001190250662 1038282852 /nfs/dbraw/zinc/28/28/52/1038282852.db2.gz DVCKGMCKIKZJAF-UHFFFAOYSA-N -1 1 321.380 3.954 20 0 DHADMM Cc1cnc(SCCCSCc2ccccc2)[n-]c1=O ZINC000572015284 1038318850 /nfs/dbraw/zinc/31/88/50/1038318850.db2.gz JOUZLUDGYQGZDD-UHFFFAOYSA-N -1 1 306.456 3.906 20 0 DHADMM O=S(=O)([N-]c1cccc2cnccc21)c1ccc(C2CC2)cc1 ZINC001190460850 1038323682 /nfs/dbraw/zinc/32/36/82/1038323682.db2.gz NBKRMJMRNFPDPE-UHFFFAOYSA-N -1 1 324.405 3.913 20 0 DHADMM Cn1ccc2c1cccc2[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000588834749 1038384064 /nfs/dbraw/zinc/38/40/64/1038384064.db2.gz WHDTWZMKCKWCOF-UHFFFAOYSA-N -1 1 320.801 3.633 20 0 DHADMM Cc1ccc(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccncc1 ZINC001190888612 1038402260 /nfs/dbraw/zinc/40/22/60/1038402260.db2.gz XSOSGFADLMIWAY-UHFFFAOYSA-N -1 1 324.405 3.858 20 0 DHADMM O=C(NCCCc1ccccc1)Nc1ccc([O-])c(Cl)c1 ZINC001191208377 1038462154 /nfs/dbraw/zinc/46/21/54/1038462154.db2.gz MVGDCKOQOOVNCY-UHFFFAOYSA-N -1 1 304.777 3.800 20 0 DHADMM CCCCc1ccc(S(=O)(=O)[N-]c2ncc(C)cc2F)cc1 ZINC001191233444 1038472797 /nfs/dbraw/zinc/47/27/97/1038472797.db2.gz LMKXJXSJYBUQQV-UHFFFAOYSA-N -1 1 322.405 3.673 20 0 DHADMM CC[C@H](CC(F)(F)F)[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000760776438 1038635990 /nfs/dbraw/zinc/63/59/90/1038635990.db2.gz LSSIEEMOHNFEBG-SNVBAGLBSA-N -1 1 313.241 3.765 20 0 DHADMM O=C(Nc1cc(C2CCCC2)no1)c1c(F)ccc([O-])c1F ZINC001192523513 1038671110 /nfs/dbraw/zinc/67/11/10/1038671110.db2.gz CAIWUARDGXZMQG-UHFFFAOYSA-N -1 1 308.284 3.568 20 0 DHADMM CC(C)OCc1cccc(NC(=O)c2cc([O-])cc(F)c2F)c1 ZINC001192670295 1038689716 /nfs/dbraw/zinc/68/97/16/1038689716.db2.gz GWUASNQELUFYIE-UHFFFAOYSA-N -1 1 321.323 3.848 20 0 DHADMM O=C(NC1CCC(C(F)(F)F)CC1)c1cc([O-])cc(F)c1F ZINC001192678536 1038690542 /nfs/dbraw/zinc/69/05/42/1038690542.db2.gz FYUMGUXRDOCKCZ-UHFFFAOYSA-N -1 1 323.261 3.521 20 0 DHADMM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)ccc1F ZINC000590696140 1038693045 /nfs/dbraw/zinc/69/30/45/1038693045.db2.gz SQTBUKXHWFTUOJ-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM Cc1[n-][nH]c(=O)c1NC(=O)C[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000615222700 1038876309 /nfs/dbraw/zinc/87/63/09/1038876309.db2.gz UKVWJXSHQWFARA-WFASDCNBSA-N -1 1 313.401 3.679 20 0 DHADMM Cc1coc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc12 ZINC000479544732 1039169580 /nfs/dbraw/zinc/16/95/80/1039169580.db2.gz QFBPISWXTJSYCE-UHFFFAOYSA-N -1 1 305.330 3.681 20 0 DHADMM C[C@H](CSCCNCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000592462503 1039211351 /nfs/dbraw/zinc/21/13/51/1039211351.db2.gz WRJVTOWNUGFXLV-SECBINFHSA-N -1 1 322.257 3.537 20 0 DHADMM C[C@H](CCC(C)(C)C)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000605593678 1039722182 /nfs/dbraw/zinc/72/21/82/1039722182.db2.gz ZAJKHFMETZAZJB-SECBINFHSA-N -1 1 323.380 3.597 20 0 DHADMM O=C(Nc1nc2c(s1)CCC2)Nc1ccc([O-])c(Cl)c1 ZINC000574619809 1039757920 /nfs/dbraw/zinc/75/79/20/1039757920.db2.gz NKTGQULFWBOPDY-UHFFFAOYSA-N -1 1 309.778 3.635 20 0 DHADMM C[C@]1(CO)CCCN(Cc2ccc(Cl)c([O-])c2Cl)CC1 ZINC001232623959 1039867826 /nfs/dbraw/zinc/86/78/26/1039867826.db2.gz AAKXYECKMGXAQM-HNNXBMFYSA-N -1 1 318.244 3.684 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)s1 ZINC000069572761 1039898544 /nfs/dbraw/zinc/89/85/44/1039898544.db2.gz LKFSWDGLDSIBJO-UHFFFAOYSA-N -1 1 305.783 3.650 20 0 DHADMM CC(C)[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000606907125 1040032950 /nfs/dbraw/zinc/03/29/50/1040032950.db2.gz AAHQKGSPFDWEGC-SSDOTTSWSA-N -1 1 316.275 3.625 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1[nH]c2ccccc2c1Cl ZINC000608365348 1040471823 /nfs/dbraw/zinc/47/18/23/1040471823.db2.gz DMFPVOKQVJFAGZ-UHFFFAOYSA-N -1 1 304.708 3.918 20 0 DHADMM Cc1ccc(OCCCC(=O)Nc2c([O-])cccc2F)cc1 ZINC000608367115 1040474379 /nfs/dbraw/zinc/47/43/79/1040474379.db2.gz UQLDGWXXJCAAJA-UHFFFAOYSA-N -1 1 303.333 3.637 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@H]1c1cccc(F)c1 ZINC000608478672 1040510071 /nfs/dbraw/zinc/51/00/71/1040510071.db2.gz TYZGCXAMKUFKSA-CQSZACIVSA-N -1 1 305.736 3.772 20 0 DHADMM CCC1(NC(=O)c2cc(Cl)c([O-])c(OC)c2)CCCCC1 ZINC000456223910 1040741766 /nfs/dbraw/zinc/74/17/66/1040741766.db2.gz VYVHYSNOVRNEPZ-UHFFFAOYSA-N -1 1 311.809 3.897 20 0 DHADMM Cc1cc(C(=O)Nc2ccc([O-])c(F)c2F)c(C)n1C1CC1 ZINC000456795157 1040920162 /nfs/dbraw/zinc/92/01/62/1040920162.db2.gz UCOWUBAVPLRMAY-UHFFFAOYSA-N -1 1 306.312 3.676 20 0 DHADMM Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000456786340 1040920980 /nfs/dbraw/zinc/92/09/80/1040920980.db2.gz OMLQDVDQLMAGQL-DTWKUNHWSA-N -1 1 309.337 3.783 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(C)nc3ccccc23)cc1 ZINC000005218161 181218550 /nfs/dbraw/zinc/21/85/50/181218550.db2.gz OKWOUNLUAMAHID-UHFFFAOYSA-N -1 1 312.394 3.652 20 0 DHADMM Cc1csc(CN[C@@H](CC(=O)[O-])c2ccc(C(C)C)cc2)n1 ZINC000417567785 334991419 /nfs/dbraw/zinc/99/14/19/334991419.db2.gz JOUJIRMVVSBCJV-HNNXBMFYSA-N -1 1 318.442 3.881 20 0 DHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc3c(c2)CCCC3)o1 ZINC000417575825 334995063 /nfs/dbraw/zinc/99/50/63/334995063.db2.gz SZDYNCFDGXZQBV-QGZVFWFLSA-N -1 1 313.397 3.772 20 0 DHADMM CSc1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000007056650 181435543 /nfs/dbraw/zinc/43/55/43/181435543.db2.gz WGPLSRTZUWLQAK-UHFFFAOYSA-N -1 1 307.440 3.826 20 0 DHADMM O=S(=O)([N-]c1cccc2c1CCCC2)c1cc(F)cc(F)c1 ZINC000016130697 182035458 /nfs/dbraw/zinc/03/54/58/182035458.db2.gz BWUIDLDRINKJHI-UHFFFAOYSA-N -1 1 323.364 3.644 20 0 DHADMM COc1cccc2c1[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)CC2 ZINC000343305801 335019617 /nfs/dbraw/zinc/01/96/17/335019617.db2.gz VIHCDFRCODNANZ-GFCCVEGCSA-N -1 1 317.772 3.723 20 0 DHADMM Cc1cc(CNCc2cnc(C3CCC3)s2)ccc1C(=O)[O-] ZINC000417666194 335034935 /nfs/dbraw/zinc/03/49/35/335034935.db2.gz FVJVDDRQRKMLMU-UHFFFAOYSA-N -1 1 316.426 3.707 20 0 DHADMM CCOc1cc(C(=O)N[C@H]2CCCC[C@@H]2C)cc(Cl)c1[O-] ZINC000192736353 335036182 /nfs/dbraw/zinc/03/61/82/335036182.db2.gz SLRFBKJYTBBWAA-GWCFXTLKSA-N -1 1 311.809 3.753 20 0 DHADMM COc1cc(C(=O)N[C@@H]2CCCC(C)(C)C2)cc(Cl)c1[O-] ZINC000442933015 338439730 /nfs/dbraw/zinc/43/97/30/338439730.db2.gz ZIDSYANITDPWII-LLVKDONJSA-N -1 1 311.809 3.753 20 0 DHADMM CC(C)(NCc1nc(=O)c2sccc2[n-]1)c1ccccc1F ZINC000298055004 132045774 /nfs/dbraw/zinc/04/57/74/132045774.db2.gz FTCBYYQZDVEVFQ-UHFFFAOYSA-N -1 1 317.389 3.561 20 0 DHADMM O=C([O-])C1(NCc2nc(-c3ccccc3)cs2)CCCCC1 ZINC000340677859 132145294 /nfs/dbraw/zinc/14/52/94/132145294.db2.gz UPFRUQPIOGOGSE-UHFFFAOYSA-N -1 1 316.426 3.687 20 0 DHADMM Cc1cccc(C)c1CNCc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000417705231 335065150 /nfs/dbraw/zinc/06/51/50/335065150.db2.gz NQVAKZYANSRJLY-UHFFFAOYSA-N -1 1 310.397 3.564 20 0 DHADMM CC(C)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])n[nH]1 ZINC000622719779 430610313 /nfs/dbraw/zinc/61/03/13/430610313.db2.gz WQHAODAXMSYRRH-UHFFFAOYSA-N -1 1 313.279 3.510 20 0 DHADMM CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000175393726 332889288 /nfs/dbraw/zinc/88/92/88/332889288.db2.gz CHRMUDAEKZLIEH-NEPJUHHUSA-N -1 1 313.850 3.792 20 0 DHADMM CC(C)c1nc(-c2nc(-c3ccc([O-])c(F)c3)no2)cs1 ZINC000445479429 331494388 /nfs/dbraw/zinc/49/43/88/331494388.db2.gz HSUSKOGCNKDGQB-UHFFFAOYSA-N -1 1 305.334 3.828 20 0 DHADMM Cc1cnc([C@@H](C)NC(=O)c2ccc3ccccc3c2[O-])s1 ZINC000176057489 332921410 /nfs/dbraw/zinc/92/14/10/332921410.db2.gz LBRDYOFODIQDMY-LLVKDONJSA-N -1 1 312.394 3.801 20 0 DHADMM O=C(Nc1cccc2c1OCCO2)c1cc2ccccc2cc1[O-] ZINC000148689979 331767356 /nfs/dbraw/zinc/76/73/56/331767356.db2.gz ZJCAHVUVLPJBPW-UHFFFAOYSA-N -1 1 321.332 3.569 20 0 DHADMM O=C([O-])[C@H](CC1CC1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000557144626 331772777 /nfs/dbraw/zinc/77/27/77/331772777.db2.gz KNRHCKCIFQHROA-HNNXBMFYSA-N -1 1 319.788 3.943 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)cc1 ZINC000518247460 332000414 /nfs/dbraw/zinc/00/04/14/332000414.db2.gz AWFOUYOJSRTVSJ-UHFFFAOYSA-N -1 1 312.394 3.587 20 0 DHADMM CC(C)(C)CC(C)(C)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000518482745 332063660 /nfs/dbraw/zinc/06/36/60/332063660.db2.gz YVWDFHOZDJXDSO-UHFFFAOYSA-N -1 1 323.380 3.597 20 0 DHADMM COc1ccccc1[C@H](NCc1ccc(Cl)c(C)c1)C(=O)[O-] ZINC000426791262 332153944 /nfs/dbraw/zinc/15/39/44/332153944.db2.gz DDFWYINLUBKREY-INIZCTEOSA-N -1 1 319.788 3.573 20 0 DHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc(OC(C)C)cc2)o1 ZINC000426795666 332154440 /nfs/dbraw/zinc/15/44/40/332154440.db2.gz YINKKCGDRZDVMC-MRXNPFEDSA-N -1 1 317.385 3.681 20 0 DHADMM O=C(c1ncccc1[O-])N1CCCC[C@@H]1CCCc1ccccc1 ZINC000427640895 332473708 /nfs/dbraw/zinc/47/37/08/332473708.db2.gz ZGEJGWJBSODKBD-QGZVFWFLSA-N -1 1 324.424 3.805 20 0 DHADMM COc1cccc(/C=C\c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445485566 332656868 /nfs/dbraw/zinc/65/68/68/332656868.db2.gz AGNZEDJQGVRJDF-YVMONPNESA-N -1 1 312.300 3.760 20 0 DHADMM Cc1nc(-c2ccc(NCC(C3CC3)C3CC3)nc2)[n-]c(=O)c1C ZINC000525707692 332678414 /nfs/dbraw/zinc/67/84/14/332678414.db2.gz VORDKGUQWIAOGB-UHFFFAOYSA-N -1 1 324.428 3.709 20 0 DHADMM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000180332659 333027732 /nfs/dbraw/zinc/02/77/32/333027732.db2.gz XTBOMAKNBMCYJU-NXEZZACHSA-N -1 1 301.308 3.529 20 0 DHADMM C[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@H]1C ZINC000180590102 333029004 /nfs/dbraw/zinc/02/90/04/333029004.db2.gz CHIUNTAGPNTRBQ-UWVGGRQHSA-N -1 1 301.308 3.672 20 0 DHADMM O=C(NCC1(c2ccc(F)cc2)CCC1)c1ccc([O-])cc1F ZINC000181198392 333029678 /nfs/dbraw/zinc/02/96/78/333029678.db2.gz FCLRUZGQHNCLKI-UHFFFAOYSA-N -1 1 317.335 3.522 20 0 DHADMM C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc([O-])cc1F ZINC000181227721 333029848 /nfs/dbraw/zinc/02/98/48/333029848.db2.gz NDMBMKJRIHYVDN-LLVKDONJSA-N -1 1 321.779 3.888 20 0 DHADMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000460424105 333084727 /nfs/dbraw/zinc/08/47/27/333084727.db2.gz IRHCNUJZIMSLBP-UHFFFAOYSA-N -1 1 307.390 3.924 20 0 DHADMM [O-]c1c(-c2nc(Cc3ccncc3)no2)ccc2ccccc21 ZINC000390218014 333249759 /nfs/dbraw/zinc/24/97/59/333249759.db2.gz PEPDQVKVFUPGJJ-UHFFFAOYSA-N -1 1 303.321 3.581 20 0 DHADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@H]2CCC[C@H]21 ZINC000120523321 333289990 /nfs/dbraw/zinc/28/99/90/333289990.db2.gz GTFJNHIERRBGND-ZWNOBZJWSA-N -1 1 324.218 3.559 20 0 DHADMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000497958079 333314523 /nfs/dbraw/zinc/31/45/23/333314523.db2.gz IMAHTDBDVSHCMX-UHFFFAOYSA-N -1 1 320.801 3.931 20 0 DHADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(CSC)c2)c1 ZINC000531195889 333330158 /nfs/dbraw/zinc/33/01/58/333330158.db2.gz AWHJXWRVLVGGGS-UHFFFAOYSA-N -1 1 321.467 3.913 20 0 DHADMM COc1ccc(-c2noc(-c3ccc4ccccc4c3[O-])n2)cn1 ZINC000184856752 333367923 /nfs/dbraw/zinc/36/79/23/333367923.db2.gz ASFDNFBVQVSENU-UHFFFAOYSA-N -1 1 319.320 3.666 20 0 DHADMM CCOc1cc(C(=O)N[C@H]2CCC[C@H](C)C2)cc(Cl)c1[O-] ZINC000186569029 335158532 /nfs/dbraw/zinc/15/85/32/335158532.db2.gz GGXXKOOGVZKCGA-JQWIXIFHSA-N -1 1 311.809 3.753 20 0 DHADMM COc1cc(C(=O)N2CCC[C@H]2C(C)(C)C)cc(Cl)c1[O-] ZINC000442962217 338440306 /nfs/dbraw/zinc/44/03/06/338440306.db2.gz CPJFQYRPVCCMRW-ZDUSSCGKSA-N -1 1 311.809 3.705 20 0 DHADMM Cc1cccc(S(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)c1 ZINC000436157780 333858465 /nfs/dbraw/zinc/85/84/65/333858465.db2.gz ZXAKKCMCPYGRFM-UHFFFAOYSA-N -1 1 300.383 3.586 20 0 DHADMM CC(C)[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000436752112 333996607 /nfs/dbraw/zinc/99/66/07/333996607.db2.gz PTBPXKCYSFUJDJ-SNVBAGLBSA-N -1 1 301.308 3.529 20 0 DHADMM COc1ccc(-c2nc(Cc3cc(C)ccc3C)no2)c([O-])c1 ZINC000436887428 334015075 /nfs/dbraw/zinc/01/50/75/334015075.db2.gz JSFYXOYBBVULMY-UHFFFAOYSA-N -1 1 310.353 3.658 20 0 DHADMM COc1ccc(-c2nc([C@@H](C)c3cccs3)no2)c([O-])c1 ZINC000436942467 334019865 /nfs/dbraw/zinc/01/98/65/334019865.db2.gz VVDVAVBHZWTNMA-VIFPVBQESA-N -1 1 302.355 3.664 20 0 DHADMM CN(CCCC(=O)[O-])Cc1cc(C(F)(F)F)ccc1Cl ZINC000414637767 334049829 /nfs/dbraw/zinc/04/98/29/334049829.db2.gz MOSUMPDLUCUKPU-UHFFFAOYSA-N -1 1 309.715 3.655 20 0 DHADMM CCc1ccc(-c2ccc(CN(CC(=O)[O-])C(C)C)o2)cc1 ZINC000414669305 334063922 /nfs/dbraw/zinc/06/39/22/334063922.db2.gz XZTRKOVNFDEYRR-UHFFFAOYSA-N -1 1 301.386 3.804 20 0 DHADMM CCc1ccc(-c2ccc(CN3CCCC[C@@H]3C(=O)[O-])o2)cc1 ZINC000414686340 334068871 /nfs/dbraw/zinc/06/88/71/334068871.db2.gz VGNRVCYWSJWSAZ-QGZVFWFLSA-N -1 1 313.397 3.948 20 0 DHADMM C[C@H]1c2ccsc2CCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000049933468 334361182 /nfs/dbraw/zinc/36/11/82/334361182.db2.gz DGSQLBFYLIBSNZ-VIFPVBQESA-N -1 1 307.802 3.867 20 0 DHADMM O=S(=O)([N-]c1cccc2[nH]ccc21)c1ccc(C(F)F)cc1 ZINC000340808575 334387001 /nfs/dbraw/zinc/38/70/01/334387001.db2.gz DUEKQFLTYWMXHG-UHFFFAOYSA-N -1 1 322.336 3.906 20 0 DHADMM CC[C@@H](C)c1ccc([C@H](NCc2n[nH]c(=O)[n-]2)C(C)C)cc1 ZINC000340923871 334393972 /nfs/dbraw/zinc/39/39/72/334393972.db2.gz YRWZGXWXFSYYPQ-MLGOLLRUSA-N -1 1 302.422 3.511 20 0 DHADMM [O-]c1c(-c2nc(Cc3cccnc3)no2)ccc2ccccc21 ZINC000320387128 334605574 /nfs/dbraw/zinc/60/55/74/334605574.db2.gz CIEKAUHZGAWKLH-UHFFFAOYSA-N -1 1 303.321 3.581 20 0 DHADMM CC(C)(C(=O)Nc1ccc([O-])c(Cl)c1)C1CCC(O)CC1 ZINC000416179443 334654099 /nfs/dbraw/zinc/65/40/99/334654099.db2.gz MLTWPEUVUBJZMW-UHFFFAOYSA-N -1 1 311.809 3.561 20 0 DHADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000188237519 334669536 /nfs/dbraw/zinc/66/95/36/334669536.db2.gz XSQKUYVNSPDWBA-UHFFFAOYSA-N -1 1 307.440 3.826 20 0 DHADMM Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(F)cc3[O-])c2c1 ZINC000535420652 334730895 /nfs/dbraw/zinc/73/08/95/334730895.db2.gz BWSMWURDQFPEHD-UHFFFAOYSA-N -1 1 312.344 3.892 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(C)n1 ZINC000331330413 334854328 /nfs/dbraw/zinc/85/43/28/334854328.db2.gz SPNNIGCUUHLJFS-UHFFFAOYSA-N -1 1 318.442 3.797 20 0 DHADMM C[C@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccccc1 ZINC000345834658 335354175 /nfs/dbraw/zinc/35/41/75/335354175.db2.gz KEFFEDHXZPEGQQ-LBPRGKRZSA-N -1 1 307.353 3.525 20 0 DHADMM CSc1ccccc1[N-]C(=O)c1nc2cccnc2s1 ZINC000346032024 335373338 /nfs/dbraw/zinc/37/33/38/335373338.db2.gz NWRTYNZLLPUGMA-UHFFFAOYSA-N -1 1 301.396 3.666 20 0 DHADMM CCSc1ccc(Cl)cc1NC(=O)c1cncc([O-])c1 ZINC000346294506 335393298 /nfs/dbraw/zinc/39/32/98/335393298.db2.gz BLILBMAHEQWRNS-UHFFFAOYSA-N -1 1 308.790 3.805 20 0 DHADMM Cc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)c(F)cc1F ZINC000445487735 338496864 /nfs/dbraw/zinc/49/68/64/338496864.db2.gz UKMLBVOSXGUMIV-UHFFFAOYSA-N -1 1 306.243 3.835 20 0 DHADMM CC(=O)[C@H]1C[C@H](CC(=O)Nc2ccc([O-])c(Cl)c2)C1(C)C ZINC000353991923 335788649 /nfs/dbraw/zinc/78/86/49/335788649.db2.gz FLHGOYKCXKTGOC-ZYHUDNBSSA-N -1 1 309.793 3.626 20 0 DHADMM Cc1cnc(C(=O)N2CC[C@@H](c3ccccc3)C[C@@H]2C)c([O-])c1 ZINC000332382678 336170587 /nfs/dbraw/zinc/17/05/87/336170587.db2.gz HOJZJHZCVGOFOT-GOEBONIOSA-N -1 1 310.397 3.504 20 0 DHADMM CN(Cc1cccc(Cl)c1)C(=O)c1ccc(Cl)cc1[O-] ZINC000042252909 336237880 /nfs/dbraw/zinc/23/78/80/336237880.db2.gz LYOUQTHEYUKLMC-UHFFFAOYSA-N -1 1 310.180 3.971 20 0 DHADMM O=C(Cc1csc2ccccc12)Nc1ccc(F)cc1[O-] ZINC000532621973 336257088 /nfs/dbraw/zinc/25/70/88/336257088.db2.gz PSUODVMRNUQRJW-UHFFFAOYSA-N -1 1 301.342 3.927 20 0 DHADMM O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1ccccc1[O-] ZINC000216598087 336275387 /nfs/dbraw/zinc/27/53/87/336275387.db2.gz OTIJVZBJJRTBJB-UHFFFAOYSA-N -1 1 321.380 3.721 20 0 DHADMM [O-]c1cc(F)cc(/C=C/c2ncc(Br)s2)c1 ZINC000193050378 336295384 /nfs/dbraw/zinc/29/53/84/336295384.db2.gz XBPPOKLNKLOJDC-OWOJBTEDSA-N -1 1 300.152 3.921 20 0 DHADMM Cc1nc(-c2ccc(N[C@H]3CCCC3(C)C)nc2)[n-]c(=O)c1C ZINC000301530559 336312921 /nfs/dbraw/zinc/31/29/21/336312921.db2.gz HMIGILLTCJCWJP-AWEZNQCLSA-N -1 1 312.417 3.852 20 0 DHADMM CC[C@H]1CCCCN1c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301740769 336326878 /nfs/dbraw/zinc/32/68/78/336326878.db2.gz XRARHHMPNWQZST-HNNXBMFYSA-N -1 1 312.417 3.630 20 0 DHADMM CC[C@@H](C)[C@H](C)Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301760505 336328248 /nfs/dbraw/zinc/32/82/48/336328248.db2.gz MARVGCCAYQCYFI-PWSUYJOCSA-N -1 1 300.406 3.708 20 0 DHADMM Fc1cnc(Sc2nnc([N-]c3ccccc3F)s2)nc1 ZINC000301774185 336328925 /nfs/dbraw/zinc/32/89/25/336328925.db2.gz KPCHQCKPHVJUDK-UHFFFAOYSA-N -1 1 323.353 3.501 20 0 DHADMM OCC[C@@H]([N-]c1nc(-c2cccc(Cl)c2)no1)c1ccco1 ZINC000302218375 336354601 /nfs/dbraw/zinc/35/46/01/336354601.db2.gz KUBYYSAPWOIFAE-GFCCVEGCSA-N -1 1 319.748 3.519 20 0 DHADMM OC[C@H]([N-]c1nc(-c2cccc(Cl)c2)no1)c1ccsc1 ZINC000302304391 336357082 /nfs/dbraw/zinc/35/70/82/336357082.db2.gz ZGWCNVZDKWXJRY-LBPRGKRZSA-N -1 1 321.789 3.597 20 0 DHADMM Cc1ccc2c(c1)nc(CNCc1cccc([O-])c1Cl)n2C ZINC000352933918 336378136 /nfs/dbraw/zinc/37/81/36/336378136.db2.gz FYYKSOQVCPDLLE-UHFFFAOYSA-N -1 1 315.804 3.531 20 0 DHADMM Cc1c(=O)[n-]c(S[C@@H]2CCO[C@H](C)C2)nc1-c1ccccc1 ZINC000582252764 336395251 /nfs/dbraw/zinc/39/52/51/336395251.db2.gz QTGOQWANKWTGLW-BXUZGUMPSA-N -1 1 316.426 3.817 20 0 DHADMM Cc1cc(C)c(CNC(=O)c2c(F)ccc([O-])c2F)c(C)c1 ZINC000564005322 336399558 /nfs/dbraw/zinc/39/95/58/336399558.db2.gz NPKBVIWMRUVKMU-UHFFFAOYSA-N -1 1 305.324 3.526 20 0 DHADMM COc1cc(C(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)cc(Cl)c1[O-] ZINC000356649182 336557085 /nfs/dbraw/zinc/55/70/85/336557085.db2.gz VBRJSCDPXXEVFG-OUAUKWLOSA-N -1 1 311.809 3.561 20 0 DHADMM Cc1cnc(C(=O)N(C)Cc2cccc3ccccc32)c([O-])c1 ZINC000358615210 336636964 /nfs/dbraw/zinc/63/69/64/336636964.db2.gz JSWCTRFXJXVJNW-UHFFFAOYSA-N -1 1 306.365 3.521 20 0 DHADMM O=c1nc(CN2CCC(C3CCCC3)CC2)[n-]c2ccsc21 ZINC000372620776 336936421 /nfs/dbraw/zinc/93/64/21/336936421.db2.gz POXNCZWOSRPQKQ-UHFFFAOYSA-N -1 1 317.458 3.799 20 0 DHADMM [O-]c1ccc(-c2noc([C@@H]3C[C@H]3c3ccco3)n2)c(Cl)c1 ZINC000373168848 336950414 /nfs/dbraw/zinc/95/04/14/336950414.db2.gz CNDDAMRPEXGTBG-GHMZBOCLSA-N -1 1 302.717 3.960 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@H](c2nccs2)C1 ZINC000170890633 337083501 /nfs/dbraw/zinc/08/35/01/337083501.db2.gz IEJJUEHATNZXRS-JTQLQIEISA-N -1 1 322.817 3.522 20 0 DHADMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC000582886317 337215046 /nfs/dbraw/zinc/21/50/46/337215046.db2.gz CKAVADCDZZFSFS-UHFFFAOYSA-N -1 1 321.373 3.513 20 0 DHADMM CCOc1cc(C(=O)N2CCC[C@@H](C)[C@@H]2C)cc(Cl)c1[O-] ZINC000186832237 337259959 /nfs/dbraw/zinc/25/99/59/337259959.db2.gz JHDGECSIBFEEHF-MNOVXSKESA-N -1 1 311.809 3.705 20 0 DHADMM CCOc1cc(C(=O)N2C[C@@H]3CCCC[C@H]3C2)cc(Cl)c1[O-] ZINC000186852886 337260599 /nfs/dbraw/zinc/26/05/99/337260599.db2.gz NLQBCYNXSUDGIS-RYUDHWBXSA-N -1 1 323.820 3.707 20 0 DHADMM O=C([O-])CCCN(Cc1ccccc1)Cc1ccc(F)cc1F ZINC000583226873 337280647 /nfs/dbraw/zinc/28/06/47/337280647.db2.gz VIGGUGSKGDXSGH-UHFFFAOYSA-N -1 1 319.351 3.832 20 0 DHADMM CC(=O)Nc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000190925484 337291397 /nfs/dbraw/zinc/29/13/97/337291397.db2.gz VXDWIKROQIOOBH-UHFFFAOYSA-N -1 1 319.748 3.648 20 0 DHADMM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)[C@H]1CC2CCC1CC2 ZINC000514677493 337301225 /nfs/dbraw/zinc/30/12/25/337301225.db2.gz GBCBIGHMBRPLKX-HBIQZDMRSA-N -1 1 309.356 3.615 20 0 DHADMM COc1cc(C(=O)N2CC[C@@H](C3CCCC3)C2)cc(Cl)c1[O-] ZINC000421953743 337662340 /nfs/dbraw/zinc/66/23/40/337662340.db2.gz UCPPANXFAGZOBD-GFCCVEGCSA-N -1 1 323.820 3.707 20 0 DHADMM C[C@H](c1ccc(Cl)cc1)N(C(=O)c1ncccc1[O-])C1CC1 ZINC000123229523 337960513 /nfs/dbraw/zinc/96/05/13/337960513.db2.gz UQUZZFJALGVXDL-LLVKDONJSA-N -1 1 316.788 3.806 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN(C)[C@@H](C)c1sc(C)nc1C ZINC000516187651 338006107 /nfs/dbraw/zinc/00/61/07/338006107.db2.gz HWUXAUQIUBMNGP-JTQLQIEISA-N -1 1 322.430 3.807 20 0 DHADMM COc1cccc(/C=C/c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445452416 338016656 /nfs/dbraw/zinc/01/66/56/338016656.db2.gz CMMQCZFGMCMTTF-VMPITWQZSA-N -1 1 312.300 3.760 20 0 DHADMM [O-]c1ccc(-c2noc(COc3cccc(Cl)c3)n2)c(F)c1 ZINC000445455082 338017168 /nfs/dbraw/zinc/01/71/68/338017168.db2.gz BVBLJYYRKMOWMZ-UHFFFAOYSA-N -1 1 320.707 3.814 20 0 DHADMM CC(C)C[C@H](C)OCCc1nc(-c2ccc([O-])cc2F)no1 ZINC000445456828 338017548 /nfs/dbraw/zinc/01/75/48/338017548.db2.gz KKNVCBBTZRLSQP-NSHDSACASA-N -1 1 308.353 3.575 20 0 DHADMM C[C@H](Oc1ccc(F)cc1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445457382 338018247 /nfs/dbraw/zinc/01/82/47/338018247.db2.gz YLCWHSUNAAFFBU-VIFPVBQESA-N -1 1 318.279 3.860 20 0 DHADMM C[C@H](Oc1ccccc1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445459576 338018673 /nfs/dbraw/zinc/01/86/73/338018673.db2.gz DDZLSJGYVZEMIV-JTQLQIEISA-N -1 1 300.289 3.721 20 0 DHADMM [O-]c1ccc(-c2noc(CCCc3cccs3)n2)c(F)c1 ZINC000445460455 338020409 /nfs/dbraw/zinc/02/04/09/338020409.db2.gz ARUKRPUQJAJIOM-UHFFFAOYSA-N -1 1 304.346 3.818 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cc(F)c(F)cc3F)n2)c(F)c1 ZINC000445460824 338020918 /nfs/dbraw/zinc/02/09/18/338020918.db2.gz SYKFWIIJWNAVCA-UHFFFAOYSA-N -1 1 310.206 3.666 20 0 DHADMM CCCCN(Cc1ccccc1F)C(=O)c1ncc(C)cc1[O-] ZINC000426423374 338031813 /nfs/dbraw/zinc/03/18/13/338031813.db2.gz AMVTVHAYQFXRKD-UHFFFAOYSA-N -1 1 316.376 3.677 20 0 DHADMM COc1ccc(C)cc1CN[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000426734894 338039893 /nfs/dbraw/zinc/03/98/93/338039893.db2.gz BVOAZJUQRJPOPT-INIZCTEOSA-N -1 1 319.788 3.573 20 0 DHADMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2Cl)s1 ZINC000431144820 338123983 /nfs/dbraw/zinc/12/39/83/338123983.db2.gz DIJZFHKOUYUQBM-UHFFFAOYSA-N -1 1 301.820 3.819 20 0 DHADMM COc1ccc2c(c1)[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)CC2 ZINC000431898945 338141393 /nfs/dbraw/zinc/14/13/93/338141393.db2.gz ALWKAUNVHJIXCG-ZDUSSCGKSA-N -1 1 317.772 3.723 20 0 DHADMM COC(=O)c1c[n-]c(SC/C=C\c2ccc(Cl)cc2)n1 ZINC000432672778 338162128 /nfs/dbraw/zinc/16/21/28/338162128.db2.gz ZMUNXVPYWYXVCC-IHWYPQMZSA-N -1 1 308.790 3.655 20 0 DHADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)c1 ZINC000436171196 338260483 /nfs/dbraw/zinc/26/04/83/338260483.db2.gz LIFMXYQXKFPEBQ-UHFFFAOYSA-N -1 1 318.373 3.725 20 0 DHADMM CC(C)Cn1nccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000436523574 338275200 /nfs/dbraw/zinc/27/52/00/338275200.db2.gz URDMZTXLEJTBKN-UHFFFAOYSA-N -1 1 309.369 3.650 20 0 DHADMM [O-]c1ccc(F)cc1-c1nc(CCn2ccc3ccccc32)no1 ZINC000436530844 338275562 /nfs/dbraw/zinc/27/55/62/338275562.db2.gz GJSKYTZMZJZWRH-UHFFFAOYSA-N -1 1 323.327 3.779 20 0 DHADMM O=C(N[C@H]1CCc2c1cccc2O)c1ccc2ccccc2c1[O-] ZINC000436543247 338276284 /nfs/dbraw/zinc/27/62/84/338276284.db2.gz DFGLVEQMKLQQFH-KRWDZBQOSA-N -1 1 319.360 3.668 20 0 DHADMM O=C(NCc1cnc2ccccc2c1)c1cc(Cl)ccc1[O-] ZINC000436547524 338276575 /nfs/dbraw/zinc/27/65/75/338276575.db2.gz QVRKKIHWYRAQJO-UHFFFAOYSA-N -1 1 312.756 3.524 20 0 DHADMM CCC[C@@H]1SCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000436550059 338276729 /nfs/dbraw/zinc/27/67/29/338276729.db2.gz WBGZPJRUHXQZEX-INIZCTEOSA-N -1 1 301.411 3.861 20 0 DHADMM C[C@H](CCc1cccn1C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000436567317 338277491 /nfs/dbraw/zinc/27/74/91/338277491.db2.gz SEPLVUJUFZWVHR-CQSZACIVSA-N -1 1 322.408 3.635 20 0 DHADMM C[C@]1(c2ccccc2)CCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000436583656 338278319 /nfs/dbraw/zinc/27/83/19/338278319.db2.gz OJIKIEDOVRKVTD-SFHVURJKSA-N -1 1 315.800 3.849 20 0 DHADMM O=C(NCc1nc2ccccc2o1)c1cc2ccccc2cc1[O-] ZINC000436586572 338278534 /nfs/dbraw/zinc/27/85/34/338278534.db2.gz WFCHHACIOICFBR-UHFFFAOYSA-N -1 1 318.332 3.617 20 0 DHADMM CC(C)Nc1ccc(F)cc1NC(=O)c1cc(F)ccc1[O-] ZINC000436589953 338278707 /nfs/dbraw/zinc/27/87/07/338278707.db2.gz XBFUISSRVOCLIZ-UHFFFAOYSA-N -1 1 306.312 3.743 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1CCc2c(F)ccc(F)c2C1 ZINC000436591118 338278865 /nfs/dbraw/zinc/27/88/65/338278865.db2.gz VQXUQULQWFXFIA-UHFFFAOYSA-N -1 1 323.726 3.522 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1CCOC2(C1)CCCCCC2 ZINC000436594323 338279159 /nfs/dbraw/zinc/27/91/59/338279159.db2.gz DWVBFSBJSWLOCJ-UHFFFAOYSA-N -1 1 323.820 3.611 20 0 DHADMM O=C(C(=O)N1CCCC2(CCCCC2)CC1)c1ccc([O-])cc1 ZINC000436597144 338279299 /nfs/dbraw/zinc/27/92/99/338279299.db2.gz TXLFKQYVTUQEHT-UHFFFAOYSA-N -1 1 315.413 3.538 20 0 DHADMM C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)c1ccc([O-])cc1F ZINC000436656311 338281780 /nfs/dbraw/zinc/28/17/80/338281780.db2.gz MPNCSFHBHHIVFO-XIKOKIGWSA-N -1 1 313.372 3.975 20 0 DHADMM O=C(NCC1(C(F)(F)F)CC1)c1ccc2ccccc2c1[O-] ZINC000436659348 338281991 /nfs/dbraw/zinc/28/19/91/338281991.db2.gz OJTXMNXBTFCEBU-UHFFFAOYSA-N -1 1 309.287 3.618 20 0 DHADMM CC1(C)CC[C@H](NC(=O)C(=O)c2ccc([O-])cc2)c2ccccc21 ZINC000436685566 338282914 /nfs/dbraw/zinc/28/29/14/338282914.db2.gz COEAYUDYNRGLIL-KRWDZBQOSA-N -1 1 323.392 3.504 20 0 DHADMM CCSc1nnc(NC(=O)c2ccc(C(C)C)cc2[O-])s1 ZINC000436694697 338283148 /nfs/dbraw/zinc/28/31/48/338283148.db2.gz IDHDSPDMIQGDRS-UHFFFAOYSA-N -1 1 323.443 3.731 20 0 DHADMM C[C@@H]1CCCN(C(=O)C(=O)c2ccc([O-])cc2)c2ccccc21 ZINC000436702433 338283296 /nfs/dbraw/zinc/28/32/96/338283296.db2.gz ALALEOYFIIVITJ-CYBMUJFWSA-N -1 1 309.365 3.505 20 0 DHADMM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])[C@H]1c1ccccc1 ZINC000436717092 338283861 /nfs/dbraw/zinc/28/38/61/338283861.db2.gz DPGONMQVPFYVFO-BDJLRTHQSA-N -1 1 301.773 3.879 20 0 DHADMM CCN(C(=O)c1ccc(C(F)(F)F)cc1[O-])C1CCCC1 ZINC000436729797 338284463 /nfs/dbraw/zinc/28/44/63/338284463.db2.gz SXRAFMOWXWIMED-UHFFFAOYSA-N -1 1 301.308 3.816 20 0 DHADMM COc1ccc(F)cc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436727840 338284573 /nfs/dbraw/zinc/28/45/73/338284573.db2.gz DHOYTZNEPYXOJG-UHFFFAOYSA-N -1 1 311.312 3.945 20 0 DHADMM COc1cc2nc(C)sc2cc1NC(=O)c1ccccc1[O-] ZINC000436737093 338284740 /nfs/dbraw/zinc/28/47/40/338284740.db2.gz KSUDPIQPVKKZFD-UHFFFAOYSA-N -1 1 314.366 3.571 20 0 DHADMM Cn1c2cc(F)ccc2nc1-c1ccc([O-])c(Br)c1 ZINC000436741367 338285073 /nfs/dbraw/zinc/28/50/73/338285073.db2.gz SXQNMZCDKFKJIB-UHFFFAOYSA-N -1 1 321.149 3.848 20 0 DHADMM CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000436752843 338285640 /nfs/dbraw/zinc/28/56/40/338285640.db2.gz YTGVHWIBLAFDLE-MRXNPFEDSA-N -1 1 317.360 3.763 20 0 DHADMM CN(Cc1ccc2ccccc2c1)C(=O)c1cc(F)ccc1[O-] ZINC000436757210 338285812 /nfs/dbraw/zinc/28/58/12/338285812.db2.gz UCKXPQGVZQUXHB-UHFFFAOYSA-N -1 1 309.340 3.957 20 0 DHADMM CSc1cc(CNC(=O)c2cc3ccccc3cc2[O-])ccn1 ZINC000436759924 338285980 /nfs/dbraw/zinc/28/59/80/338285980.db2.gz IMELSMFIPRMVFD-UHFFFAOYSA-N -1 1 324.405 3.592 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N(Cc1cccc(F)c1)C1CC1 ZINC000436761364 338286215 /nfs/dbraw/zinc/28/62/15/338286215.db2.gz YQGKQSVSFUQRDI-UHFFFAOYSA-N -1 1 319.763 3.990 20 0 DHADMM CC[C@H]1CC[C@H](C)N1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436769981 338286513 /nfs/dbraw/zinc/28/65/13/338286513.db2.gz PJGXJXZYCRCNGO-ONGXEEELSA-N -1 1 301.308 3.814 20 0 DHADMM CC[C@@H](CSC)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436769928 338286652 /nfs/dbraw/zinc/28/66/52/338286652.db2.gz PESGBXPVQFLGLZ-JTQLQIEISA-N -1 1 321.364 3.625 20 0 DHADMM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc([O-])cc1F ZINC000436793719 338287665 /nfs/dbraw/zinc/28/76/65/338287665.db2.gz SLKVRWHBCVGDKC-IGCXYCKISA-N -1 1 313.372 3.938 20 0 DHADMM CCCN(CCc1cccs1)C(=O)c1ccc([O-])cc1F ZINC000436799043 338287803 /nfs/dbraw/zinc/28/78/03/338287803.db2.gz AXEYGIBBNMPAEP-UHFFFAOYSA-N -1 1 307.390 3.688 20 0 DHADMM CCc1ccc(C(=O)N2CCc3c2cccc3Cl)c([O-])c1 ZINC000436828471 338288766 /nfs/dbraw/zinc/28/87/66/338288766.db2.gz HXPSEISIWBUVBE-UHFFFAOYSA-N -1 1 301.773 3.811 20 0 DHADMM COc1ccc(C(=O)Nc2cccc(-c3ncco3)c2C)c([O-])c1 ZINC000436824270 338288770 /nfs/dbraw/zinc/28/87/70/338288770.db2.gz GEPRIGLWZWPCSG-UHFFFAOYSA-N -1 1 324.336 3.617 20 0 DHADMM C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000436827431 338288867 /nfs/dbraw/zinc/28/88/67/338288867.db2.gz NUUGRLSTAWLSHV-HZMBPMFUSA-N -1 1 323.314 3.958 20 0 DHADMM Cc1c(NC(=O)c2cc(F)ccc2[O-])cccc1-c1ncco1 ZINC000436824605 338288899 /nfs/dbraw/zinc/28/88/99/338288899.db2.gz HTRUTMXPDBCBPF-UHFFFAOYSA-N -1 1 312.300 3.747 20 0 DHADMM CCc1ccc(C(=O)N2C[C@H](C)CN(C)c3ccccc32)c([O-])c1 ZINC000436831895 338288991 /nfs/dbraw/zinc/28/89/91/338288991.db2.gz HJNSTZMCPHOKSD-CQSZACIVSA-N -1 1 324.424 3.687 20 0 DHADMM C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436829003 338289058 /nfs/dbraw/zinc/28/90/58/338289058.db2.gz RJAQTKYVNRFPRD-HZMBPMFUSA-N -1 1 323.314 3.958 20 0 DHADMM O=C(NC[C@@H]1CCc2ccccc21)c1ccc(Cl)cc1[O-] ZINC000436836811 338289409 /nfs/dbraw/zinc/28/94/09/338289409.db2.gz NDXXYJKOXPFGMJ-LBPRGKRZSA-N -1 1 301.773 3.505 20 0 DHADMM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1ccc([O-])cc1F ZINC000436871172 338290803 /nfs/dbraw/zinc/29/08/03/338290803.db2.gz PYSNQTXUWZXLPO-OAHLLOKOSA-N -1 1 317.360 3.876 20 0 DHADMM CCN(Cc1ccccc1Cl)C(=O)c1ccc([O-])cc1F ZINC000436878195 338291206 /nfs/dbraw/zinc/29/12/06/338291206.db2.gz DNCAMTAYFUBSCA-UHFFFAOYSA-N -1 1 307.752 3.847 20 0 DHADMM C[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000436879570 338291443 /nfs/dbraw/zinc/29/14/43/338291443.db2.gz XNAACXRUIHDCOS-MWLCHTKSSA-N -1 1 301.308 3.672 20 0 DHADMM C[C@H](OCc1ccccc1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436880429 338291529 /nfs/dbraw/zinc/29/15/29/338291529.db2.gz QVHQYRZZRLRIBH-NSHDSACASA-N -1 1 314.316 3.859 20 0 DHADMM [O-]c1ccc(-c2noc(-c3ccccc3OC3CC3)n2)cc1F ZINC000436880838 338291575 /nfs/dbraw/zinc/29/15/75/338291575.db2.gz SWKYQQBCTKKWPK-UHFFFAOYSA-N -1 1 312.300 3.790 20 0 DHADMM CCc1ccc(-c2noc(-c3cc(NC(C)=O)ccc3[O-])n2)cc1 ZINC000436890777 338292246 /nfs/dbraw/zinc/29/22/46/338292246.db2.gz GKWICQLTQKFWGP-UHFFFAOYSA-N -1 1 323.352 3.630 20 0 DHADMM C[C@@H](CNC(=O)c1ccc2ccccc2c1[O-])Oc1ccccc1 ZINC000436913105 338293232 /nfs/dbraw/zinc/29/32/32/338293232.db2.gz YEBYYSOEDZYOGW-AWEZNQCLSA-N -1 1 321.376 3.743 20 0 DHADMM CN(Cc1cc(F)cc(F)c1)C(=O)c1ccc(Cl)cc1[O-] ZINC000437000020 338297339 /nfs/dbraw/zinc/29/73/39/338297339.db2.gz HJSVIUCABVBYQZ-UHFFFAOYSA-N -1 1 311.715 3.596 20 0 DHADMM CC[C@@H](C)[C@@H](NC(=O)c1cncc([O-])c1)c1ccc(Cl)cc1 ZINC000440036218 338382775 /nfs/dbraw/zinc/38/27/75/338382775.db2.gz AHXRXQWESRECQP-BDJLRTHQSA-N -1 1 318.804 3.958 20 0 DHADMM Cc1cnc(C(=O)N(C)[C@@H](c2ccc(F)cc2)C(C)C)c([O-])c1 ZINC000447858703 338569586 /nfs/dbraw/zinc/56/95/86/338569586.db2.gz NOPANWJTNPCBCE-QGZVFWFLSA-N -1 1 316.376 3.704 20 0 DHADMM Cc1cnc(C(=O)N2CCC(CCc3ccccc3)CC2)c([O-])c1 ZINC000460292392 339054527 /nfs/dbraw/zinc/05/45/27/339054527.db2.gz FXCYCQSGZXBENN-UHFFFAOYSA-N -1 1 324.424 3.581 20 0 DHADMM O=c1[nH]c(SC/C=C\c2ccc(Cl)cc2)nc2n[nH]cc21 ZINC000468505799 339264727 /nfs/dbraw/zinc/26/47/27/339264727.db2.gz HCQYUGZEYDPRGL-UPHRSURJSA-N -1 1 318.789 3.517 20 0 DHADMM O=c1cc(C2CC2)nc(SCCCOc2ccccc2)[n-]1 ZINC000470460297 339320334 /nfs/dbraw/zinc/32/03/34/339320334.db2.gz WSDINHSZDHRCOG-UHFFFAOYSA-N -1 1 302.399 3.621 20 0 DHADMM O=C(N[C@H](c1cccc(Cl)c1)C1CCCCC1)c1cnn[nH]1 ZINC000472375675 339371247 /nfs/dbraw/zinc/37/12/47/339371247.db2.gz UNUQRLRWXLSAHN-HNNXBMFYSA-N -1 1 318.808 3.510 20 0 DHADMM CCOc1c(Cl)cccc1CC(=O)Nc1ccc(F)cc1[O-] ZINC000478860529 339523738 /nfs/dbraw/zinc/52/37/38/339523738.db2.gz WSFXUMZAYIRGMG-UHFFFAOYSA-N -1 1 323.751 3.765 20 0 DHADMM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000479485814 339537622 /nfs/dbraw/zinc/53/76/22/339537622.db2.gz DQEOSUHQLKZTLB-UHFFFAOYSA-N -1 1 318.423 3.714 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1c[nH]c(-c2ccccc2)n1 ZINC000485662691 339708502 /nfs/dbraw/zinc/70/85/02/339708502.db2.gz XTTOAQLBENIEKE-UHFFFAOYSA-N -1 1 313.744 3.688 20 0 DHADMM Cc1ccc(C(=O)CCCC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000501320354 340078539 /nfs/dbraw/zinc/07/85/39/340078539.db2.gz DNHCAWIJTFZHHO-UHFFFAOYSA-N -1 1 315.344 3.831 20 0 DHADMM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC000507889419 340235135 /nfs/dbraw/zinc/23/51/35/340235135.db2.gz OSYMLBJFRKMRKS-UHFFFAOYSA-N -1 1 311.428 3.726 20 0 DHADMM CC[C@H]([N-]S(=O)(=O)c1csc2ccccc21)C(F)(F)F ZINC000508208066 340240616 /nfs/dbraw/zinc/24/06/16/340240616.db2.gz MAJGMYQZWPRVIH-NSHDSACASA-N -1 1 323.361 3.521 20 0 DHADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000509094887 340261217 /nfs/dbraw/zinc/26/12/17/340261217.db2.gz CUZZICRSQYYSFO-UHFFFAOYSA-N -1 1 307.440 3.826 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2F)c(Cl)c1 ZINC000509648095 340275409 /nfs/dbraw/zinc/27/54/09/340275409.db2.gz BZYBHKJBYSZGNS-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM O=C(Nc1nc(-c2ccco2)n[nH]1)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000510841056 340312647 /nfs/dbraw/zinc/31/26/47/340312647.db2.gz IEGFUCQTHFRSSH-JHJVBQTASA-N -1 1 314.389 3.610 20 0 DHADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc3scnc3c2)c1 ZINC000176698519 340430414 /nfs/dbraw/zinc/43/04/14/340430414.db2.gz JCJXNAVDYAWLFM-UHFFFAOYSA-N -1 1 322.386 3.545 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2N(C)C)cc1Cl ZINC000524633149 340659712 /nfs/dbraw/zinc/65/97/12/340659712.db2.gz FMAXMIMPKUHDPI-UHFFFAOYSA-N -1 1 324.833 3.515 20 0 DHADMM C[C@H](c1ccccc1)[C@H](C)NC(=O)c1c(F)ccc([O-])c1F ZINC000538387797 340819775 /nfs/dbraw/zinc/81/97/75/340819775.db2.gz WQPRQQVGOBTECG-QWRGUYRKSA-N -1 1 305.324 3.592 20 0 DHADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000126141876 340822987 /nfs/dbraw/zinc/82/29/87/340822987.db2.gz FRSYVBHJFJJMEG-UHFFFAOYSA-N -1 1 317.410 3.697 20 0 DHADMM COc1ccc(C(=O)Nc2ccc(OC(C)C)cc2F)c([O-])c1 ZINC000127901053 340857643 /nfs/dbraw/zinc/85/76/43/340857643.db2.gz VDCQHDFQMLKPLI-UHFFFAOYSA-N -1 1 319.332 3.579 20 0 DHADMM CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc([O-])c2F)c1C(C)C ZINC000128451476 340886364 /nfs/dbraw/zinc/88/63/64/340886364.db2.gz PPKJFLOIAUEJAF-UHFFFAOYSA-N -1 1 318.348 3.746 20 0 DHADMM CCc1cccc(S(=O)(=O)[N-]c2cccc([C@@H](C)OC)c2)c1 ZINC000080939705 341276968 /nfs/dbraw/zinc/27/69/68/341276968.db2.gz YJLRUCDKSGYXSS-CYBMUJFWSA-N -1 1 319.426 3.757 20 0 DHADMM Cc1cc(=O)[n-]c([C@@H](C)[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)n1 ZINC000549173759 341287961 /nfs/dbraw/zinc/28/79/61/341287961.db2.gz VBLICAKIPOWXCB-NRSFXHEJSA-N -1 1 323.440 3.962 20 0 DHADMM Cc1nc(SCc2ccc(C(F)(F)F)cn2)[n-]c(=O)c1C ZINC000551099457 341331778 /nfs/dbraw/zinc/33/17/78/341331778.db2.gz GBKPLGXSHCPIKK-UHFFFAOYSA-N -1 1 315.320 3.505 20 0 DHADMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1ccco1 ZINC000552207517 341378502 /nfs/dbraw/zinc/37/85/02/341378502.db2.gz QZWQMKWMXRKWBU-UHFFFAOYSA-N -1 1 316.538 3.653 20 0 DHADMM Cc1cc(C)c(CN[C@@H](C)c2ncc(C(=O)[O-])s2)c(C)c1 ZINC000566238856 341551612 /nfs/dbraw/zinc/55/16/12/341551612.db2.gz IRNALFGQJWJRLG-LBPRGKRZSA-N -1 1 304.415 3.617 20 0 DHADMM Cc1ccc(C[C@@H]2CCCN2C(=O)c2ccc([O-])cc2F)cc1 ZINC000154891296 341597736 /nfs/dbraw/zinc/59/77/36/341597736.db2.gz JWMBKBLGFYVHLR-HNNXBMFYSA-N -1 1 313.372 3.687 20 0 DHADMM CCOc1cc([N-]S(=O)(=O)c2ccccc2C)ccc1C ZINC000567528223 341612617 /nfs/dbraw/zinc/61/26/17/341612617.db2.gz OAUZAQAHDJIZEN-UHFFFAOYSA-N -1 1 305.399 3.503 20 0 DHADMM C/C=C/c1ccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)cc1 ZINC000576216088 341833834 /nfs/dbraw/zinc/83/38/34/341833834.db2.gz VTNWCHJDBFEKSW-HWKANZROSA-N -1 1 315.394 3.723 20 0 DHADMM CCCCOc1ccc(NC(=O)c2cncc([O-])c2)c(C)c1 ZINC000111576630 520889521 /nfs/dbraw/zinc/88/95/21/520889521.db2.gz KHGHMTZYDFDGRI-UHFFFAOYSA-N -1 1 300.358 3.527 20 0 DHADMM CCSc1ccc(Cl)cc1[N-]C(=O)c1snnc1C ZINC000191409840 521748537 /nfs/dbraw/zinc/74/85/37/521748537.db2.gz JULUFMDORZURBO-UHFFFAOYSA-N -1 1 313.835 3.864 20 0 DHADMM C[C@@H]1CCCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC000338387966 524207261 /nfs/dbraw/zinc/20/72/61/524207261.db2.gz WIFKVZSFIUMHKW-LLVKDONJSA-N -1 1 318.804 3.856 20 0 DHADMM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1ncccc1[O-] ZINC000129524202 526020514 /nfs/dbraw/zinc/02/05/14/526020514.db2.gz KRKZUIFYLVRQBY-VXGBXAGGSA-N -1 1 318.804 3.705 20 0 DHADMM [O-]c1cccc(CNc2ccc(OC(F)F)nc2)c1Cl ZINC000339396578 526360721 /nfs/dbraw/zinc/36/07/21/526360721.db2.gz OQKCDIFHVAXGNZ-UHFFFAOYSA-N -1 1 300.692 3.654 20 0 DHADMM Cc1noc(C)c1[C@@H](C)CNC(=O)c1ccc2ccccc2c1[O-] ZINC000162773121 526564790 /nfs/dbraw/zinc/56/47/90/526564790.db2.gz BENXEBNEIKQEIK-NSHDSACASA-N -1 1 324.380 3.684 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCC(=O)c2ccccc21 ZINC000339958732 527236109 /nfs/dbraw/zinc/23/61/09/527236109.db2.gz KOGAQYFDIAPORU-CYBMUJFWSA-N -1 1 315.756 3.744 20 0 DHADMM O=C([O-])[C@@H](NCc1ccc(Cl)cc1)c1cc(F)ccc1F ZINC000683174529 599788247 /nfs/dbraw/zinc/78/82/47/599788247.db2.gz UAVMSLVNNGMTHA-AWEZNQCLSA-N -1 1 311.715 3.534 20 0 DHADMM C[C@H](c1ccc(Cl)cc1Cl)N1CCC(C(=O)[O-])CC1 ZINC000086727285 596916762 /nfs/dbraw/zinc/91/67/62/596916762.db2.gz OHBHXJVFNOHFOR-SECBINFHSA-N -1 1 302.201 3.851 20 0 DHADMM Fc1cccc(SCc2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC000737664803 598242615 /nfs/dbraw/zinc/24/26/15/598242615.db2.gz OKYKEJXJHDUDJO-UHFFFAOYSA-N -1 1 320.780 3.952 20 0 DHADMM CC[C@H](C)N(C)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000565104448 599780357 /nfs/dbraw/zinc/78/03/57/599780357.db2.gz RLJJDRABERHVSX-NSHDSACASA-N -1 1 304.415 3.739 20 0 DHADMM O=C([O-])c1ccoc1CN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000740251547 599793913 /nfs/dbraw/zinc/79/39/13/599793913.db2.gz HECSJLVSWYGFKP-MRXNPFEDSA-N -1 1 303.333 3.748 20 0 DHADMM CN(Cc1cc(C(=O)[O-])co1)Cc1ccc(C(F)(F)F)cc1 ZINC000652374674 599845254 /nfs/dbraw/zinc/84/52/54/599845254.db2.gz YDARUXHNSLKZQR-UHFFFAOYSA-N -1 1 313.275 3.629 20 0 DHADMM CCOc1ccc([C@H]2CCCN2Cc2cc(C(=O)[O-])co2)cc1 ZINC000652380638 599845694 /nfs/dbraw/zinc/84/56/94/599845694.db2.gz CNRGNYZCBJMVSP-QGZVFWFLSA-N -1 1 315.369 3.714 20 0 DHADMM Cc1oc(CN(Cc2ccc(F)cc2)C2CC2)cc1C(=O)[O-] ZINC000519167097 600048999 /nfs/dbraw/zinc/04/89/99/600048999.db2.gz FZQCIMLUXAPQDR-UHFFFAOYSA-N -1 1 303.333 3.590 20 0 DHADMM COc1ccc(C2(NCc3cc(C(=O)[O-])co3)CCCC2)cc1 ZINC000737979081 600284576 /nfs/dbraw/zinc/28/45/76/600284576.db2.gz BWEGPDRJHDPQAW-UHFFFAOYSA-N -1 1 315.369 3.546 20 0 DHADMM CC[C@H]1CN(Cc2c3ccccc3sc2C(=O)[O-])C[C@@H](C)O1 ZINC000736945428 600332152 /nfs/dbraw/zinc/33/21/52/600332152.db2.gz XHPYAHXLFYGAGX-NEPJUHHUSA-N -1 1 319.426 3.599 20 0 DHADMM Cc1ccc2[nH]c3c(c2c1)CN([C@@H](C(=O)[O-])c1ccccc1)CC3 ZINC000656769347 600405742 /nfs/dbraw/zinc/40/57/42/600405742.db2.gz YKVLKNGZGIIGBH-LJQANCHMSA-N -1 1 320.392 3.660 20 0 DHADMM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CC[C@@H](c2ccco2)C1 ZINC000739519279 600409609 /nfs/dbraw/zinc/40/96/09/600409609.db2.gz XRKKDFQXEQMSIW-IUODEOHRSA-N -1 1 305.761 3.548 20 0 DHADMM CCOc1ccccc1[C@@H](C)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737213195 600430793 /nfs/dbraw/zinc/43/07/93/600430793.db2.gz NATVCHJEYHOYNR-SJKOYZFVSA-N -1 1 317.360 3.701 20 0 DHADMM CC[C@@H](N[C@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000736918821 600453235 /nfs/dbraw/zinc/45/32/35/600453235.db2.gz ALNONDPGAVOTDF-CVEARBPZSA-N -1 1 305.324 3.831 20 0 DHADMM C[C@H]1SCCN(Cc2ccc(C(=O)[O-])o2)[C@H]1c1ccccc1 ZINC000569130665 600489829 /nfs/dbraw/zinc/48/98/29/600489829.db2.gz WWGWRCBMXOSQHW-MLGOLLRUSA-N -1 1 317.410 3.656 20 0 DHADMM C[C@@H]1SCCN(Cc2cc(C(=O)[O-])co2)[C@@H]1c1ccccc1 ZINC000576234018 600490448 /nfs/dbraw/zinc/49/04/48/600490448.db2.gz RDCOFAMMVIPUHO-LRDDRELGSA-N -1 1 317.410 3.656 20 0 DHADMM C[C@@H](N[C@H](C(=O)[O-])c1ccccc1F)c1ccc(F)c(F)c1 ZINC000827718108 600732274 /nfs/dbraw/zinc/73/22/74/600732274.db2.gz OTQJZZNGZYRAGN-PSLIRLAXSA-N -1 1 309.287 3.580 20 0 DHADMM CC(C)c1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000426770669 600742644 /nfs/dbraw/zinc/74/26/44/600742644.db2.gz USYWCBYNNLHENC-KRWDZBQOSA-N -1 1 301.361 3.865 20 0 DHADMM Cc1ccc2nc(S[C@H](C(=O)[O-])c3ccccc3F)[nH]c2c1 ZINC000832958806 600832672 /nfs/dbraw/zinc/83/26/72/600832672.db2.gz KLCWBGBLRUAERF-AWEZNQCLSA-N -1 1 316.357 3.928 20 0 DHADMM C[C@@H]1C[C@H](c2ccccc2F)N(Cc2occc2C(=O)[O-])C1 ZINC000575995362 600840056 /nfs/dbraw/zinc/84/00/56/600840056.db2.gz MIQYZFHYMVTFRI-IAQYHMDHSA-N -1 1 303.333 3.700 20 0 DHADMM CC1(C)CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC000565105288 600849228 /nfs/dbraw/zinc/84/92/28/600849228.db2.gz RGHMFAIMUHAWQM-UHFFFAOYSA-N -1 1 316.426 3.740 20 0 DHADMM Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2ccc(C(=O)[O-])o2)o1 ZINC000832931477 600858318 /nfs/dbraw/zinc/85/83/18/600858318.db2.gz YMXYGMGPNIGCHN-FZMZJTMJSA-N -1 1 303.358 3.852 20 0 DHADMM Cc1cc(CN2CC[C@@H](C)C[C@@H]2c2ccco2)oc1C(=O)[O-] ZINC000652432505 600862082 /nfs/dbraw/zinc/86/20/82/600862082.db2.gz KTEATUWTXAVYQL-BXUZGUMPSA-N -1 1 303.358 3.852 20 0 DHADMM CC[C@H](C)N(C)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000568059942 600995413 /nfs/dbraw/zinc/99/54/13/600995413.db2.gz MFGIBXYFXDJYHO-NSHDSACASA-N -1 1 304.415 3.739 20 0 DHADMM O=C([O-])[C@H](c1cccc(Cl)c1)N1CCOC2(CCCCC2)C1 ZINC000833173180 601019841 /nfs/dbraw/zinc/01/98/41/601019841.db2.gz NVZAJNHSBIVBQP-HNNXBMFYSA-N -1 1 323.820 3.501 20 0 DHADMM C[C@@H]1CCN(Cc2cc(C(=O)[O-])co2)[C@H]1c1cccc(F)c1 ZINC000574164072 601117915 /nfs/dbraw/zinc/11/79/15/601117915.db2.gz BLQSMIWKSWXXEA-BDJLRTHQSA-N -1 1 303.333 3.700 20 0 DHADMM C[C@H](c1ccco1)[N@@H+](Cc1ccc(F)cc1C(=O)[O-])C1CC1 ZINC000652401583 601492705 /nfs/dbraw/zinc/49/27/05/601492705.db2.gz PWMCPTRAWQGUFJ-LLVKDONJSA-N -1 1 303.333 3.843 20 0 DHADMM C[C@H](c1ccco1)N(Cc1ccc(F)cc1C(=O)[O-])C1CC1 ZINC000652401583 601492707 /nfs/dbraw/zinc/49/27/07/601492707.db2.gz PWMCPTRAWQGUFJ-LLVKDONJSA-N -1 1 303.333 3.843 20 0 DHADMM Cc1nc(CN2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])sc1C ZINC000579973940 601548464 /nfs/dbraw/zinc/54/84/64/601548464.db2.gz QWRCEFQSOBNJMK-GJZGRUSLSA-N -1 1 322.474 3.615 20 0 DHADMM O=C([O-])c1ccc(CN2CCC[C@@H]2c2ccsc2)cc1F ZINC000580451236 601619585 /nfs/dbraw/zinc/61/95/85/601619585.db2.gz AEKDXVCRPWFCOS-OAHLLOKOSA-N -1 1 305.374 3.923 20 0 DHADMM C[C@H](C(=O)[O-])[C@H](NCc1cc(F)ccc1F)c1ccccc1 ZINC000426749526 601652135 /nfs/dbraw/zinc/65/21/35/601652135.db2.gz GMECHFUUXIXIAO-ZBEGNZNMSA-N -1 1 305.324 3.516 20 0 DHADMM C[C@H](c1ccco1)N(Cc1ccc(C(=O)[O-])c(F)c1)C1CC1 ZINC000580097006 601658860 /nfs/dbraw/zinc/65/88/60/601658860.db2.gz WZCKQQLWXBDALP-LLVKDONJSA-N -1 1 303.333 3.843 20 0 DHADMM CC[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC000828989161 601850274 /nfs/dbraw/zinc/85/02/74/601850274.db2.gz RKFVOKLZXDETJY-MRXNPFEDSA-N -1 1 305.324 3.904 20 0 DHADMM CC[C@H](NCc1cccc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC000828989160 601850331 /nfs/dbraw/zinc/85/03/31/601850331.db2.gz RKFVOKLZXDETJY-INIZCTEOSA-N -1 1 305.324 3.904 20 0 DHADMM CCc1nc2c(s1)[C@@H](N(C)Cc1cc(C(=O)[O-])co1)CCC2 ZINC000572653163 602056252 /nfs/dbraw/zinc/05/62/52/602056252.db2.gz FJJPVILFOTZBTD-ZDUSSCGKSA-N -1 1 320.414 3.506 20 0 DHADMM C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1CCCC(=O)[O-] ZINC000828527022 602343883 /nfs/dbraw/zinc/34/38/83/602343883.db2.gz GVTMGEKFLQEPTB-SECBINFHSA-N -1 1 302.201 3.777 20 0 DHADMM C[C@@H]1CN(Cc2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]1C(=O)[O-] ZINC000833629665 604672397 /nfs/dbraw/zinc/67/23/97/604672397.db2.gz KUYXCVWTCINLTH-SCZZXKLOSA-N -1 1 321.726 3.511 20 0 DHADMM CCOc1ccc([C@H](C)N[C@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC000833663859 605067456 /nfs/dbraw/zinc/06/74/56/605067456.db2.gz NKSVKJRZUZCFAU-NWDGAFQWSA-N -1 1 303.358 3.788 20 0 DHADMM CCOc1ccc([C@H](C)NCc2cc(C(=O)[O-])oc2C)cc1 ZINC000833664577 605068386 /nfs/dbraw/zinc/06/83/86/605068386.db2.gz YFCTWDFINCYKMA-NSHDSACASA-N -1 1 303.358 3.536 20 0 DHADMM CC(C)Oc1cccc([C@H](C)NCc2occc2C(=O)[O-])c1 ZINC000833507158 605069938 /nfs/dbraw/zinc/06/99/38/605069938.db2.gz WNWSISMYUBPFNH-LBPRGKRZSA-N -1 1 303.358 3.616 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN[C@H](CC)c1ccccc1OC ZINC000833680226 605079187 /nfs/dbraw/zinc/07/91/87/605079187.db2.gz FJJYNVYGECUXGF-CQSZACIVSA-N -1 1 317.385 3.790 20 0 DHADMM O=C([O-])c1cccc(CNC2(c3ccc(F)cc3F)CCC2)c1 ZINC000263415054 605144611 /nfs/dbraw/zinc/14/46/11/605144611.db2.gz MYGUYVWOFJINGF-UHFFFAOYSA-N -1 1 317.335 3.832 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CNC(C)(C)c1ccc(F)c(F)c1 ZINC000833679205 605171558 /nfs/dbraw/zinc/17/15/58/605171558.db2.gz WRJJCPMJOWJMHY-UHFFFAOYSA-N -1 1 323.339 3.843 20 0 DHADMM CC(C)COc1ccc([C@H](C)NCc2occc2C(=O)[O-])cc1 ZINC000833490582 605173118 /nfs/dbraw/zinc/17/31/18/605173118.db2.gz IRIKOHOGRHUGPD-ZDUSSCGKSA-N -1 1 317.385 3.863 20 0 DHADMM CC(C)CCN(C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000652388654 605204421 /nfs/dbraw/zinc/20/44/21/605204421.db2.gz OZUUEEJAPOYHAQ-UHFFFAOYSA-N -1 1 302.374 3.518 20 0 DHADMM C[C@@H]1CCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C[C@@H]1C ZINC000576113942 605216712 /nfs/dbraw/zinc/21/67/12/605216712.db2.gz DJXWJYLWRXFFCW-OLZOCXBDSA-N -1 1 314.385 3.518 20 0 DHADMM CCc1cnccc1[C@@H](C)NCc1cc(C(=O)[O-])ccc1Cl ZINC000833673238 605272949 /nfs/dbraw/zinc/27/29/49/605272949.db2.gz HIDBVHKHXRHPRV-LLVKDONJSA-N -1 1 318.804 3.846 20 0 DHADMM O=C([O-])Nc1ccc(CN2CCC[C@@H]2c2cccc(F)c2)cn1 ZINC000834260487 605481301 /nfs/dbraw/zinc/48/13/01/605481301.db2.gz RFVAKOXWZCMHLC-OAHLLOKOSA-N -1 1 315.348 3.648 20 0 DHADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ncccc2Cl)cc1 ZINC000180202398 1013057248 /nfs/dbraw/zinc/05/72/48/1013057248.db2.gz GIVAUFUQBIRCIY-UHFFFAOYSA-N -1 1 324.833 3.734 20 0 DHADMM CC(C)c1ccc(S(=O)(=O)[N-]c2ncccc2Cl)cc1 ZINC000180199404 1013057540 /nfs/dbraw/zinc/05/75/40/1013057540.db2.gz WUWDERAUVPVQFD-UHFFFAOYSA-N -1 1 310.806 3.659 20 0 DHADMM CSc1ccc(C)c(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000826230347 947674148 /nfs/dbraw/zinc/67/41/48/947674148.db2.gz OQHVQPMNWYTNOS-UHFFFAOYSA-N -1 1 317.443 3.571 20 0 DHADMM CC1(C(=O)[O-])CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000086776509 949066614 /nfs/dbraw/zinc/06/66/14/949066614.db2.gz PWMITVGBIDBJGK-UHFFFAOYSA-N -1 1 302.201 3.680 20 0 DHADMM C[C@H](c1ncc(C(C)(C)C)o1)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000652495670 954090237 /nfs/dbraw/zinc/09/02/37/954090237.db2.gz AQQCKGSMRUNGJY-CHWSQXEVSA-N -1 1 308.422 3.610 20 0 DHADMM C[C@@H]1CN(Cc2nc(C3CCCCC3)cs2)CC[C@@H]1C(=O)[O-] ZINC000659801093 954376853 /nfs/dbraw/zinc/37/68/53/954376853.db2.gz KOKBAUOMXYSEKQ-OCCSQVGLSA-N -1 1 322.474 3.733 20 0 DHADMM CC[C@H](C)N(Cc1nc(C(=O)[O-])cs1)Cc1ccccc1 ZINC000387174363 972109472 /nfs/dbraw/zinc/10/94/72/972109472.db2.gz BYHTWQRXEUMKQK-LBPRGKRZSA-N -1 1 304.415 3.642 20 0 DHADMM O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)c1cncc([O-])c1 ZINC000339951750 1013145155 /nfs/dbraw/zinc/14/51/55/1013145155.db2.gz OEPBMCQQMZPVDP-CYBMUJFWSA-N -1 1 323.179 3.511 20 0 DHADMM COc1ccc(Cl)c(CN[C@@H](C(=O)[O-])c2cccc(C)c2)c1 ZINC001594095758 958397121 /nfs/dbraw/zinc/39/71/21/958397121.db2.gz FRARKUSVQSAKHX-MRXNPFEDSA-N -1 1 319.788 3.573 20 0 DHADMM O=C(c1cncc([O-])c1)N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000339967004 1013180447 /nfs/dbraw/zinc/18/04/47/1013180447.db2.gz WHFPKCKEDMSZOO-QGZVFWFLSA-N -1 1 324.424 3.662 20 0 DHADMM Cc1cccc([C@@H](NCc2cc(Cl)ccc2F)C(=O)[O-])c1 ZINC001594397243 958778944 /nfs/dbraw/zinc/77/89/44/958778944.db2.gz GMOFXTSUZUZBPE-OAHLLOKOSA-N -1 1 307.752 3.703 20 0 DHADMM Cc1cccc([C@@H](NCc2cccc(F)c2Cl)C(=O)[O-])c1 ZINC001594398397 958802685 /nfs/dbraw/zinc/80/26/85/958802685.db2.gz WKMAGTSPLXJHGZ-OAHLLOKOSA-N -1 1 307.752 3.703 20 0 DHADMM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1ccc(Cl)cc1Cl ZINC000235360279 960421457 /nfs/dbraw/zinc/42/14/57/960421457.db2.gz CWLDHRPTCIUPTA-NXEZZACHSA-N -1 1 302.201 3.679 20 0 DHADMM C[C@H](C(=O)[O-])N(Cc1cnc(-c2ccccc2)s1)C1CCC1 ZINC001328380407 961202653 /nfs/dbraw/zinc/20/26/53/961202653.db2.gz DBTNXBBGIUZWNS-GFCCVEGCSA-N -1 1 316.426 3.638 20 0 DHADMM C[C@@H](C(=O)[O-])N(Cc1cnc(-c2ccccc2)s1)C1CCC1 ZINC001328380409 961203184 /nfs/dbraw/zinc/20/31/84/961203184.db2.gz DBTNXBBGIUZWNS-LBPRGKRZSA-N -1 1 316.426 3.638 20 0 DHADMM CCCCOc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000519016340 1013261776 /nfs/dbraw/zinc/26/17/76/1013261776.db2.gz LRUCRUZDMSILIO-UHFFFAOYSA-N -1 1 305.399 3.666 20 0 DHADMM CCc1ccc(-c2nc(CN(C)C[C@@H](C)C(=O)[O-])cs2)cc1 ZINC000263398610 962559506 /nfs/dbraw/zinc/55/95/06/962559506.db2.gz ZREIZZRTPXIWCB-GFCCVEGCSA-N -1 1 318.442 3.525 20 0 DHADMM CCCC[C@H](NCc1ccc(-c2ccc(F)cc2)o1)C(=O)[O-] ZINC000263449755 962636842 /nfs/dbraw/zinc/63/68/42/962636842.db2.gz ZDQPLYPJMMNPHF-HNNXBMFYSA-N -1 1 305.349 3.819 20 0 DHADMM C[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000652366740 1013380774 /nfs/dbraw/zinc/38/07/74/1013380774.db2.gz NAGOBQSPLNLSJY-RNCFNFMXSA-N -1 1 302.201 3.851 20 0 DHADMM CC(C)CCO[C@H]1CC[C@H](NC(=O)c2cc(F)ccc2[O-])CC1 ZINC001167232179 1013422448 /nfs/dbraw/zinc/42/24/48/1013422448.db2.gz ULKQASRWORIVNY-SHTZXODSSA-N -1 1 323.408 3.635 20 0 DHADMM Cc1oc(-c2cccs2)nc1CN1CCCC[C@@H]1CC(=O)[O-] ZINC000315078137 963854285 /nfs/dbraw/zinc/85/42/85/963854285.db2.gz JWNORNGTHXYPFD-GFCCVEGCSA-N -1 1 320.414 3.541 20 0 DHADMM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCc1ccc(C(=O)[O-])o1 ZINC000316632616 964033750 /nfs/dbraw/zinc/03/37/50/964033750.db2.gz DOFMCSUXDJCTBU-ZDUSSCGKSA-N -1 1 303.358 3.683 20 0 DHADMM CSc1nc(Nc2ccc(OC(C)C)c(F)c2)cc(=O)[n-]1 ZINC001209996987 1013471937 /nfs/dbraw/zinc/47/19/37/1013471937.db2.gz NRXXJXZEHKQCRH-UHFFFAOYSA-N -1 1 309.366 3.574 20 0 DHADMM COc1ccccc1[C@@H](C)CC(=O)Nc1ccc(F)cc1[O-] ZINC000340331062 1013498124 /nfs/dbraw/zinc/49/81/24/1013498124.db2.gz QUBXETUXHSYLFM-NSHDSACASA-N -1 1 303.333 3.672 20 0 DHADMM [O-]c1ccc(-c2noc(C[C@]34CCCC[C@H]3C4(F)F)n2)cc1F ZINC000664849060 1013499335 /nfs/dbraw/zinc/49/93/35/1013499335.db2.gz BKQCCQZXJIVSDF-IUODEOHRSA-N -1 1 324.302 3.949 20 0 DHADMM Cc1cc(C(=O)CCC(=O)Nc2ccc(F)cc2[O-])c(C)s1 ZINC000340332114 1013500632 /nfs/dbraw/zinc/50/06/32/1013500632.db2.gz IPZJZHNUTKOWPL-UHFFFAOYSA-N -1 1 321.373 3.811 20 0 DHADMM O=c1nc(-c2ccc([O-])cn2)[nH]c2sc(-c3ccccc3)cc21 ZINC000427469202 1013543201 /nfs/dbraw/zinc/54/32/01/1013543201.db2.gz KSHXCNJMMMQKEE-UHFFFAOYSA-N -1 1 321.361 3.832 20 0 DHADMM [O-]c1ccc(-c2noc(-c3ccc4c(c3)CCO4)n2)c(Cl)c1 ZINC000519863767 1013617180 /nfs/dbraw/zinc/61/71/80/1013617180.db2.gz BJYVXULWCKONHP-UHFFFAOYSA-N -1 1 314.728 3.698 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cc4ccsc4[nH]3)n2)cc1F ZINC000683593871 1013704984 /nfs/dbraw/zinc/70/49/84/1013704984.db2.gz PCEHANIWVZQQNS-UHFFFAOYSA-N -1 1 301.302 3.791 20 0 DHADMM O=C([O-])[C@@H]1CN(Cc2ccccc2Cl)Cc2ccccc21 ZINC000087612389 967583033 /nfs/dbraw/zinc/58/30/33/967583033.db2.gz KFNURENVBVMOQL-OAHLLOKOSA-N -1 1 301.773 3.524 20 0 DHADMM Cc1cccc([C@@H](NCc2ccc(Cl)cc2F)C(=O)[O-])c1 ZINC001605328837 973189470 /nfs/dbraw/zinc/18/94/70/973189470.db2.gz DWTVRZXXMLQIDN-OAHLLOKOSA-N -1 1 307.752 3.703 20 0 DHADMM [O-]c1c(Cl)cc(Nc2ccnc3cccnc32)cc1Cl ZINC001210926595 1014089187 /nfs/dbraw/zinc/08/91/87/1014089187.db2.gz LZXTXCVFHIXZDA-UHFFFAOYSA-N -1 1 306.152 3.808 20 0 DHADMM Cc1cc(C)cc(OCCC(=O)Nc2c([O-])cccc2F)c1 ZINC000089541251 1014102377 /nfs/dbraw/zinc/10/23/77/1014102377.db2.gz KFDYEHHJMLYQBO-UHFFFAOYSA-N -1 1 303.333 3.556 20 0 DHADMM Cc1ccc(OCCC(=O)Nc2c([O-])cccc2F)c(C)c1 ZINC000089541552 1014102900 /nfs/dbraw/zinc/10/29/00/1014102900.db2.gz DMPSDOQTGMVZHA-UHFFFAOYSA-N -1 1 303.333 3.556 20 0 DHADMM O=C([O-])c1ccc(CNCc2cccc(C3CC3)c2)nc1C1CC1 ZINC000421818158 973993953 /nfs/dbraw/zinc/99/39/53/973993953.db2.gz ZFUCNXZROIVFKC-UHFFFAOYSA-N -1 1 322.408 3.824 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccsc2Cl)c(F)c1 ZINC000189730618 1014210425 /nfs/dbraw/zinc/21/04/25/1014210425.db2.gz ROHSTXUFUNVJOH-UHFFFAOYSA-N -1 1 305.783 3.650 20 0 DHADMM CN(CCC(C)(C)C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000652416750 975527103 /nfs/dbraw/zinc/52/71/03/975527103.db2.gz BFDUXYDFJVVYSD-UHFFFAOYSA-N -1 1 316.401 3.908 20 0 DHADMM COCc1ccc([C@H]2CCCN2[C@H](C)c2ccc(C(=O)[O-])o2)o1 ZINC000652444221 975534872 /nfs/dbraw/zinc/53/48/72/975534872.db2.gz BRXGMBSHORZJRI-DGCLKSJQSA-N -1 1 319.357 3.615 20 0 DHADMM O=C([O-])CN(Cc1cc(-c2ccccc2)no1)C1CCCCC1 ZINC000652482279 975549260 /nfs/dbraw/zinc/54/92/60/975549260.db2.gz VLHOQLFTGAOYAW-UHFFFAOYSA-N -1 1 314.385 3.561 20 0 DHADMM O=C([O-])c1occc1CN(Cc1ccccc1F)CC1CC1 ZINC000656766198 975698562 /nfs/dbraw/zinc/69/85/62/975698562.db2.gz SCRAGVSVHCBGKR-UHFFFAOYSA-N -1 1 303.333 3.529 20 0 DHADMM [O-]c1cc(F)c(-c2ccc3c(c2)C2(CN3)CCOCC2)cc1F ZINC001211339381 1014358284 /nfs/dbraw/zinc/35/82/84/1014358284.db2.gz NZBFZAJDTWADMP-UHFFFAOYSA-N -1 1 317.335 3.811 20 0 DHADMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)cc1 ZINC000317455899 1014393159 /nfs/dbraw/zinc/39/31/59/1014393159.db2.gz WSOZTIQNUHSCDN-UHFFFAOYSA-N -1 1 321.446 3.532 20 0 DHADMM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1c([O-])cccc1Cl ZINC000728309402 1014417231 /nfs/dbraw/zinc/41/72/31/1014417231.db2.gz WUFCTXHIJZRGEI-ZDUSSCGKSA-N -1 1 317.772 3.526 20 0 DHADMM C[C@@](CC(=O)[O-])(NCc1ccc2ccccc2c1)c1ccccn1 ZINC001592327510 977741298 /nfs/dbraw/zinc/74/12/98/977741298.db2.gz BYTSDKQIPFJGGH-FQEVSTJZSA-N -1 1 320.392 3.715 20 0 DHADMM CC[C@@H](CSc1ccccc1)NCc1ncc(C(=O)[O-])s1 ZINC001595202585 979956207 /nfs/dbraw/zinc/95/62/07/979956207.db2.gz DFQAFVNAABJIMI-NSHDSACASA-N -1 1 322.455 3.502 20 0 DHADMM O=S(=O)([N-]c1cc(Cl)cc(F)c1F)c1ccccc1F ZINC000442220302 1014648694 /nfs/dbraw/zinc/64/86/94/1014648694.db2.gz OZFSCPCCTOAPNJ-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM C[C@@H]1CCN(Cc2cc(F)cc(C(F)(F)F)c2)[C@@H](C(=O)[O-])C1 ZINC000902018951 980694879 /nfs/dbraw/zinc/69/48/79/980694879.db2.gz VYTYVEUPPKJBFW-NOZJJQNGSA-N -1 1 319.298 3.530 20 0 DHADMM Cc1oc(CNC(C)(C)c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000902285819 980818244 /nfs/dbraw/zinc/81/82/44/980818244.db2.gz HZFKPIXMISUGAK-UHFFFAOYSA-N -1 1 307.777 3.965 20 0 DHADMM Cc1cccc([C@H](NCc2cc(C(=O)[O-])no2)C(C)(C)C)c1 ZINC000902337501 980838278 /nfs/dbraw/zinc/83/82/78/980838278.db2.gz KNUKASUIIASKDB-HNNXBMFYSA-N -1 1 302.374 3.558 20 0 DHADMM O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC[C@@H](CF)C1 ZINC000903608078 980989484 /nfs/dbraw/zinc/98/94/84/980989484.db2.gz RKKPVAZPVTYHFB-TVQRCGJNSA-N -1 1 320.191 3.801 20 0 DHADMM C[C@H](c1ccc(Cl)cc1)N(C)Cc1cncc(C(=O)[O-])c1 ZINC000903887613 981021391 /nfs/dbraw/zinc/02/13/91/981021391.db2.gz XTVIRALRMJPLGQ-LLVKDONJSA-N -1 1 304.777 3.626 20 0 DHADMM CC1(C)C[C@H](c2ccccc2)C[N@H+]1Cc1nc(C(=O)[O-])cs1 ZINC000903935231 981055224 /nfs/dbraw/zinc/05/52/24/981055224.db2.gz VFTAJUXDNINTJY-ZDUSSCGKSA-N -1 1 316.426 3.609 20 0 DHADMM CC(C)c1ccc(C(C)(C)NCc2ccc(C(=O)[O-])cn2)cc1 ZINC000905727542 981126246 /nfs/dbraw/zinc/12/62/46/981126246.db2.gz JBKGYIZCLNPDJV-UHFFFAOYSA-N -1 1 312.413 3.928 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CN[C@H](c1ncccc1C)C(C)(C)C ZINC000905800233 981157558 /nfs/dbraw/zinc/15/75/58/981157558.db2.gz WKBCPCBIDLFJKF-MRXNPFEDSA-N -1 1 316.401 3.867 20 0 DHADMM O=S(=O)([N-]c1ccc2ccoc2c1)c1ccc2ncccc2c1 ZINC000442856208 1014755770 /nfs/dbraw/zinc/75/57/70/1014755770.db2.gz YIGKYXZGJATSRV-UHFFFAOYSA-N -1 1 324.361 3.782 20 0 DHADMM CCCC[C@@H](C(=O)[O-])N1CCc2c(Cl)c(Cl)ccc2C1 ZINC001595627938 981778362 /nfs/dbraw/zinc/77/83/62/981778362.db2.gz BERVVQVZLIWSPD-ZDUSSCGKSA-N -1 1 316.228 3.995 20 0 DHADMM CCOc1ccc(C[C@H](C)C(=O)Nc2c([O-])cccc2F)cc1 ZINC000665304219 1014796048 /nfs/dbraw/zinc/79/60/48/1014796048.db2.gz AOTODSBREHBSJZ-LBPRGKRZSA-N -1 1 317.360 3.747 20 0 DHADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1F ZINC000313236632 1014800385 /nfs/dbraw/zinc/80/03/85/1014800385.db2.gz KQYKAWKLLPYBPS-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM CC[C@H](C)[C@H](C(=O)[O-])N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC001594874773 982205630 /nfs/dbraw/zinc/20/56/30/982205630.db2.gz YJDCFHJLNNEKTB-MEDUHNTESA-N -1 1 320.820 3.610 20 0 DHADMM CCCCCC[C@H](C)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001595695162 982217398 /nfs/dbraw/zinc/21/73/98/982217398.db2.gz PSWKTRJYAVGYAV-NSHDSACASA-N -1 1 317.389 3.806 20 0 DHADMM CC(C)(C)c1nc(CN[C@H]2C[C@@H](CCC(=O)[O-])C2(C)C)cs1 ZINC000656568718 1014875068 /nfs/dbraw/zinc/87/50/68/1014875068.db2.gz PAPQTCNYDJHUTE-YPMHNXCESA-N -1 1 324.490 3.810 20 0 DHADMM CCOc1cccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)c1 ZINC000443418186 1014912866 /nfs/dbraw/zinc/91/28/66/1014912866.db2.gz YHAXNWGJEYNARY-UHFFFAOYSA-N -1 1 317.366 3.632 20 0 DHADMM O=S(=O)(CCc1ccccc1)[N-]c1cccc2ccsc21 ZINC000443461588 1014937841 /nfs/dbraw/zinc/93/78/41/1014937841.db2.gz DQFSCACFZJERGH-UHFFFAOYSA-N -1 1 317.435 3.886 20 0 DHADMM O=C(NCC1(c2ccccc2)CCC1)c1c(F)ccc([O-])c1F ZINC000280848695 1014941385 /nfs/dbraw/zinc/94/13/85/1014941385.db2.gz WIFZEPUOKYEDOS-UHFFFAOYSA-N -1 1 317.335 3.522 20 0 DHADMM CCOc1ccccc1CCC(=O)Nc1c([O-])cccc1F ZINC000608367192 1014961066 /nfs/dbraw/zinc/96/10/66/1014961066.db2.gz LYUMHBDJXFSMSC-UHFFFAOYSA-N -1 1 303.333 3.501 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N(Cc1ccco1)Cc1ccco1 ZINC000093928264 1014988913 /nfs/dbraw/zinc/98/89/13/1014988913.db2.gz YXFURXBIWOKQDT-UHFFFAOYSA-N -1 1 315.300 3.560 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCCCC[C@@H]1c1ccco1 ZINC000094158938 1015026347 /nfs/dbraw/zinc/02/63/47/1015026347.db2.gz JRSCAVVPJUHDKG-CQSZACIVSA-N -1 1 303.333 3.882 20 0 DHADMM Cc1ccc(C[C@@H](C)N(C)C(=O)c2cc(F)ccc2[O-])cc1 ZINC000094163148 1015026976 /nfs/dbraw/zinc/02/69/76/1015026976.db2.gz PZAWLGPLLOVCRU-CYBMUJFWSA-N -1 1 301.361 3.543 20 0 DHADMM COc1cc(/C=C2\C(=O)Nc3ccc(F)cc32)cc(Cl)c1[O-] ZINC000255334146 1015092862 /nfs/dbraw/zinc/09/28/62/1015092862.db2.gz QNXNKHTWANZAOG-WCIBSUBMSA-N -1 1 319.719 3.686 20 0 DHADMM CC[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C[C@@H](CC)O1 ZINC000398763580 1015131215 /nfs/dbraw/zinc/13/12/15/1015131215.db2.gz FVESFRNKDIIKSR-HZPDHXFCSA-N -1 1 313.397 3.575 20 0 DHADMM CCCC[C@@H](C(=O)[O-])N1CCc2ccc(Cl)c(Cl)c2C1 ZINC000656759005 1015130003 /nfs/dbraw/zinc/13/00/03/1015130003.db2.gz SRTKDTYVHYTURY-ZDUSSCGKSA-N -1 1 316.228 3.995 20 0 DHADMM Cc1cccc2c1CC[C@@H]2NC(=O)c1c([O-])cccc1Cl ZINC000729541156 1015155509 /nfs/dbraw/zinc/15/55/09/1015155509.db2.gz WHEIWUHKWIIDRC-AWEZNQCLSA-N -1 1 301.773 3.771 20 0 DHADMM CCOC[C@@H]1CCCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000313466406 1015187859 /nfs/dbraw/zinc/18/78/59/1015187859.db2.gz YXYTYMSHFKQBSQ-INIZCTEOSA-N -1 1 313.397 3.577 20 0 DHADMM C[C@@H](C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)[C@@H](C)C(C)(C)C ZINC001589448446 986823568 /nfs/dbraw/zinc/82/35/68/986823568.db2.gz KPUMZTUTNHCYEL-NXEZZACHSA-N -1 1 317.389 3.518 20 0 DHADMM CC[C@@H](NCc1cc(C(=O)[O-])ccc1F)c1ccc(F)cc1 ZINC001597291408 987377270 /nfs/dbraw/zinc/37/72/70/987377270.db2.gz HBFKCGQKAHAZED-MRXNPFEDSA-N -1 1 305.324 3.904 20 0 DHADMM [O-]c1ccc(-c2nc3cc(F)ccc3[nH]2)cc1Br ZINC000261367069 1015307578 /nfs/dbraw/zinc/30/75/78/1015307578.db2.gz FTXNHAQKQCZYCZ-UHFFFAOYSA-N -1 1 307.122 3.837 20 0 DHADMM O=S(=O)([N-]c1cc(C2CCCCCC2)n[nH]1)c1ccccc1 ZINC000474413124 1015339537 /nfs/dbraw/zinc/33/95/37/1015339537.db2.gz OKLRTCFHNIXVMU-UHFFFAOYSA-N -1 1 319.430 3.648 20 0 DHADMM CC(C)(C)[C@H](Sc1nc(C=Cc2ccccc2)n[nH]1)C(=O)[O-] ZINC001589722416 987890027 /nfs/dbraw/zinc/89/00/27/987890027.db2.gz GBDNPLSSLBNLCD-WTNCMQEWSA-N -1 1 317.414 3.567 20 0 DHADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)cc1 ZINC000474427774 1015349978 /nfs/dbraw/zinc/34/99/78/1015349978.db2.gz QCTGELUNQYXCLU-NSHDSACASA-N -1 1 319.430 3.601 20 0 DHADMM CCc1noc(CC)c1CN[C@@H](C)c1ccc(C(=O)[O-])cc1C ZINC001597748333 989131177 /nfs/dbraw/zinc/13/11/77/989131177.db2.gz HWULGWWYKQEDQP-LBPRGKRZSA-N -1 1 316.401 3.657 20 0 DHADMM CCCCN(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000097597202 1015454071 /nfs/dbraw/zinc/45/40/71/1015454071.db2.gz MOFZLLQUARUALF-UHFFFAOYSA-N -1 1 322.405 3.611 20 0 DHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC[C@H]1C1CCC1 ZINC000896146545 1015474740 /nfs/dbraw/zinc/47/47/40/1015474740.db2.gz QKZJHKYVJYDGCB-KRWDZBQOSA-N -1 1 311.381 3.656 20 0 DHADMM Oc1cccc(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1Cl ZINC000896224397 1015505748 /nfs/dbraw/zinc/50/57/48/1015505748.db2.gz GIKPKEHTODBJCO-GFCCVEGCSA-N -1 1 323.717 3.912 20 0 DHADMM CC(C)(NCc1ccc(/C=C/C(=O)[O-])o1)c1cccc(F)c1 ZINC001590871358 990777702 /nfs/dbraw/zinc/77/77/02/990777702.db2.gz OGGCLNJNPBEMRI-CMDGGOBGSA-N -1 1 303.333 3.541 20 0 DHADMM CC(C)[C@H]1N([C@@H](C)c2ncc(C(=O)[O-])s2)CC12CC=CC2 ZINC001591099733 991714797 /nfs/dbraw/zinc/71/47/97/991714797.db2.gz NYGSKBLXQAMFBQ-WCQYABFASA-N -1 1 306.431 3.579 20 0 DHADMM CN(C/C=C/c1ccc(Cl)cc1)Cc1ccc(C(=O)[O-])cn1 ZINC001598469088 991996845 /nfs/dbraw/zinc/99/68/45/991996845.db2.gz WXGJMQUTYHBJLH-NSCUHMNNSA-N -1 1 316.788 3.578 20 0 DHADMM Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)[N-]OCc1ccccn1 ZINC000909539621 1015782860 /nfs/dbraw/zinc/78/28/60/1015782860.db2.gz GGMSSYKZGRLKTD-LSDHHAIUSA-N -1 1 310.397 3.619 20 0 DHADMM C[C@@H](NCc1ccc(-c2ccc(C(=O)[O-])cc2)o1)c1ccc[nH]1 ZINC001593293388 994683971 /nfs/dbraw/zinc/68/39/71/994683971.db2.gz VRNRISGKDFJNEG-GFCCVEGCSA-N -1 1 310.353 3.824 20 0 DHADMM C[C@H](NCc1ccc(C(C)(F)F)cc1)c1cc(C(=O)[O-])co1 ZINC001593295160 994688000 /nfs/dbraw/zinc/68/80/00/994688000.db2.gz AHTAYWGRDNCVHC-JTQLQIEISA-N -1 1 309.312 3.940 20 0 DHADMM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccccc1OC(F)F ZINC001593305103 994758588 /nfs/dbraw/zinc/75/85/88/994758588.db2.gz VTESOQBAQFAVEU-LLVKDONJSA-N -1 1 321.323 3.837 20 0 DHADMM C[C@@H](c1cccc(Cl)c1F)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001593699809 996172759 /nfs/dbraw/zinc/17/27/59/996172759.db2.gz ZVQISQAQMPVOFQ-CMPLNLGQSA-N -1 1 311.784 3.727 20 0 DHADMM CO[C@H](CSc1nc(C(F)F)cc(=O)[n-]1)C1CCCCC1 ZINC000657259936 1016127012 /nfs/dbraw/zinc/12/70/12/1016127012.db2.gz NWZVKEXEYSOORV-LLVKDONJSA-N -1 1 318.389 3.807 20 0 DHADMM CC1(F)CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)CC1 ZINC001594045272 997700610 /nfs/dbraw/zinc/70/06/10/997700610.db2.gz SCIZFUSYEUPERA-LBPRGKRZSA-N -1 1 320.191 3.943 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1conc1C1CCCC1 ZINC000866868863 1016159646 /nfs/dbraw/zinc/15/96/46/1016159646.db2.gz OMVWRKXRCIYKQA-UHFFFAOYSA-N -1 1 306.749 3.944 20 0 DHADMM C[C@@H]1C[C@H](C(F)(F)F)CCN1Cc1csc(C(=O)[O-])c1 ZINC001594213946 998824751 /nfs/dbraw/zinc/82/47/51/998824751.db2.gz HCKLGANNXZONPY-PSASIEDQSA-N -1 1 307.337 3.609 20 0 DHADMM O=C(Nc1cnn(C2CCC2)c1)Nc1ccc([O-])c(Cl)c1 ZINC000934313381 1016413725 /nfs/dbraw/zinc/41/37/25/1016413725.db2.gz OITRBAUXVCWSKM-UHFFFAOYSA-N -1 1 306.753 3.611 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cccnc2Br)c1F ZINC001176663159 1035317583 /nfs/dbraw/zinc/31/75/83/1035317583.db2.gz CHCUARUMOSWFAF-UHFFFAOYSA-N -1 1 319.080 3.711 20 0 DHADMM COc1ccc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)cc1 ZINC000684869748 1016741834 /nfs/dbraw/zinc/74/18/34/1016741834.db2.gz ZLURUUYGKHUMCM-UHFFFAOYSA-N -1 1 311.259 3.672 20 0 DHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCc2ccccc2C1 ZINC000684869309 1016748286 /nfs/dbraw/zinc/74/82/86/1016748286.db2.gz QTFLTBVVHOGRHV-UHFFFAOYSA-N -1 1 321.298 3.610 20 0 DHADMM C[C@@H](c1ccncc1)N(C)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684872164 1016755763 /nfs/dbraw/zinc/75/57/63/1016755763.db2.gz QVLXZLHOMCKFLJ-JTQLQIEISA-N -1 1 324.302 3.639 20 0 DHADMM CCCN(CC(F)F)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684871870 1016756331 /nfs/dbraw/zinc/75/63/31/1016756331.db2.gz LYGNKRFVBXDNED-UHFFFAOYSA-N -1 1 311.250 3.528 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(F)c(F)c(F)c1 ZINC000082193111 1016773254 /nfs/dbraw/zinc/77/32/54/1016773254.db2.gz RROSAPSIEFUGBP-UHFFFAOYSA-N -1 1 301.651 3.715 20 0 DHADMM Cc1ccc(OCC(=O)Nc2ccc([O-])c(Cl)c2)cc1C ZINC000111666301 1016773703 /nfs/dbraw/zinc/77/37/03/1016773703.db2.gz CLBKKYRABLHFOU-UHFFFAOYSA-N -1 1 305.761 3.680 20 0 DHADMM CCC[C@H](C(=O)OCc1cc(=O)oc2cc([O-])ccc12)C(C)C ZINC000763853973 1016895324 /nfs/dbraw/zinc/89/53/24/1016895324.db2.gz QVWGHMZPDBZSGZ-AWEZNQCLSA-N -1 1 318.369 3.614 20 0 DHADMM CCC[C@@H](C(=O)OCCc1cc(C(C)=O)ccc1[O-])C(C)C ZINC000763852869 1016891473 /nfs/dbraw/zinc/89/14/73/1016891473.db2.gz RVLAVKMEOUHLCG-MRXNPFEDSA-N -1 1 306.402 3.753 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)s1 ZINC000476435445 1032181038 /nfs/dbraw/zinc/18/10/38/1032181038.db2.gz XQLHTDGNYVWCML-UHFFFAOYSA-N -1 1 323.773 3.789 20 0 DHADMM O=C(c1ccc(F)c([O-])c1)N(CCc1ccc(F)cc1)C1CC1 ZINC001146219620 1032210897 /nfs/dbraw/zinc/21/08/97/1032210897.db2.gz XESRPHHXSXGKJG-UHFFFAOYSA-N -1 1 317.335 3.518 20 0 DHADMM CC(C)[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccccc1F ZINC001146406551 1032218389 /nfs/dbraw/zinc/21/83/89/1032218389.db2.gz HDOVTQHGMNIKSP-MRXNPFEDSA-N -1 1 305.324 3.798 20 0 DHADMM CC(C)[C@H](NC(=O)c1ccc([O-])cc1F)c1ccccc1F ZINC001146406550 1032219503 /nfs/dbraw/zinc/21/95/03/1032219503.db2.gz HDOVTQHGMNIKSP-INIZCTEOSA-N -1 1 305.324 3.798 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1csc(-c2ccco2)n1 ZINC001146492270 1032220907 /nfs/dbraw/zinc/22/09/07/1032220907.db2.gz MDMKXAYZTYDATR-UHFFFAOYSA-N -1 1 304.302 3.500 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCOc2cc(F)ccc21 ZINC000118278454 1032242580 /nfs/dbraw/zinc/24/25/80/1032242580.db2.gz WGOXJXSLNKPNJE-UHFFFAOYSA-N -1 1 323.323 3.724 20 0 DHADMM CC(C)(CCCc1ccccc1)CNC(=O)c1ccc([O-])cn1 ZINC001146962453 1032263846 /nfs/dbraw/zinc/26/38/46/1032263846.db2.gz HZPDANIYEUOPJM-UHFFFAOYSA-N -1 1 312.413 3.566 20 0 DHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)c1cc(F)c[nH]1 ZINC001148252438 1032376383 /nfs/dbraw/zinc/37/63/83/1032376383.db2.gz IBAVAASMTRBVGF-UHFFFAOYSA-N -1 1 304.708 3.918 20 0 DHADMM CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001148253386 1032378930 /nfs/dbraw/zinc/37/89/30/1032378930.db2.gz QVXHUIVHXXYZOX-AUYAEMIRSA-N -1 1 319.788 3.808 20 0 DHADMM Cc1cnc([C@@H](NC(=O)c2cc(Cl)ccc2[O-])C2CC2)s1 ZINC001148241117 1032382854 /nfs/dbraw/zinc/38/28/54/1032382854.db2.gz SOMGAWZCWVYFGX-ZDUSSCGKSA-N -1 1 322.817 3.692 20 0 DHADMM O=C(Nc1c[nH]c2cccnc12)c1ccc(C(F)(F)F)cc1[O-] ZINC001148794272 1032445667 /nfs/dbraw/zinc/44/56/67/1032445667.db2.gz GPVOOJQUNJCFHQ-UHFFFAOYSA-N -1 1 321.258 3.540 20 0 DHADMM O=C(CC(F)(F)C(F)(F)F)Nc1ccc([O-])c(Cl)c1 ZINC000713202008 1032576220 /nfs/dbraw/zinc/57/62/20/1032576220.db2.gz GUMHQUZDLZDAIQ-UHFFFAOYSA-N -1 1 303.614 3.572 20 0 DHADMM O=S(=O)([N-][C@H]1C=CCCC1)c1c(Cl)cc(F)cc1Cl ZINC000435437270 1012518554 /nfs/dbraw/zinc/51/85/54/1012518554.db2.gz JXAZBVLHDGDLMK-VIFPVBQESA-N -1 1 324.204 3.520 20 0 DHADMM COc1cc(SC)ccc1[N-]S(=O)(=O)CCC(C)(C)C ZINC000515023128 1012534298 /nfs/dbraw/zinc/53/42/98/1012534298.db2.gz DCSAXTZIEOFJQZ-UHFFFAOYSA-N -1 1 317.476 3.595 20 0 DHADMM [O-]c1ccc(-c2noc(-c3ccn(C4CCCC4)n3)n2)cc1F ZINC000514990765 1012535558 /nfs/dbraw/zinc/53/55/58/1012535558.db2.gz ZULJZQUPDYHKNB-UHFFFAOYSA-N -1 1 314.320 3.560 20 0 DHADMM CC(C)[C@H](O)[C@@H]([N-]c1nc(C2CCC2)no1)c1ccccc1 ZINC000664533541 1012698147 /nfs/dbraw/zinc/69/81/47/1012698147.db2.gz UHFRQQLOJLVRMA-GJZGRUSLSA-N -1 1 301.390 3.507 20 0 DHADMM CC(C)[C@@H](O)[C@H]([N-]c1nc(C2CCC2)no1)c1ccccc1 ZINC000664533542 1012698550 /nfs/dbraw/zinc/69/85/50/1012698550.db2.gz UHFRQQLOJLVRMA-HUUCEWRRSA-N -1 1 301.390 3.507 20 0 DHADMM O=C(c1ccccc1[O-])N1CCCc2cc(OC(F)F)ccc21 ZINC000098106203 1032654591 /nfs/dbraw/zinc/65/45/91/1032654591.db2.gz JJKHEXDPVBDVHH-UHFFFAOYSA-N -1 1 319.307 3.587 20 0 DHADMM CC(C)Oc1ccc(N(C)C(=O)c2ccc([O-])c(F)c2)cc1 ZINC000683258346 1012791511 /nfs/dbraw/zinc/79/15/11/1012791511.db2.gz DXCYUYFTFDABAZ-UHFFFAOYSA-N -1 1 303.333 3.595 20 0 DHADMM Cc1noc(C2CC2)c1[N-]C(=O)c1csc(C(F)(F)F)n1 ZINC000188018587 1012844663 /nfs/dbraw/zinc/84/46/63/1012844663.db2.gz IYGRCSPVUFHECP-UHFFFAOYSA-N -1 1 317.292 3.588 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CC[C@@H](C2CCC2)C1 ZINC000665683314 1017288725 /nfs/dbraw/zinc/28/87/25/1017288725.db2.gz URFOTFJFYBBWBP-LLVKDONJSA-N -1 1 313.319 3.673 20 0 DHADMM COc1cc(-c2nc(-c3nc(C)cs3)no2)cc(Cl)c1[O-] ZINC000350601426 1017305588 /nfs/dbraw/zinc/30/55/88/1017305588.db2.gz SHSPVNFHDIRSNQ-UHFFFAOYSA-N -1 1 323.761 3.536 20 0 DHADMM C[C@H]1C[C@H]1c1ccc(CNC(=O)c2ccc(Cl)cc2[O-])o1 ZINC000614755036 1017394936 /nfs/dbraw/zinc/39/49/36/1017394936.db2.gz UNBXWVVUPHJNBL-TVQRCGJNSA-N -1 1 305.761 3.692 20 0 DHADMM COCc1ccc(NCc2cccc([O-])c2Cl)cc1OC ZINC000623789070 1017470094 /nfs/dbraw/zinc/47/00/94/1017470094.db2.gz BBZQIPMSVGQVRP-UHFFFAOYSA-N -1 1 307.777 3.813 20 0 DHADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2N(C)C)c1 ZINC000614800057 1017506199 /nfs/dbraw/zinc/50/61/99/1017506199.db2.gz PVUYXFLQIRTPDV-UHFFFAOYSA-N -1 1 324.833 3.515 20 0 DHADMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000171013904 1017810856 /nfs/dbraw/zinc/81/08/56/1017810856.db2.gz GWJPOBPIIIOURA-CYBMUJFWSA-N -1 1 305.399 3.503 20 0 DHADMM C[C@@H](Oc1ccccc1F)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445470202 1017869525 /nfs/dbraw/zinc/86/95/25/1017869525.db2.gz DILAXXOFVRVBEE-SECBINFHSA-N -1 1 318.279 3.860 20 0 DHADMM [O-]c1ccc(-c2noc(CCc3cccc(F)c3F)n2)cc1F ZINC000445479618 1017876166 /nfs/dbraw/zinc/87/61/66/1017876166.db2.gz WMTLZSUVJVQACU-UHFFFAOYSA-N -1 1 320.270 3.645 20 0 DHADMM [O-]c1ccc(-c2noc(-c3ccc4ncsc4c3)n2)cc1F ZINC000445485601 1017878044 /nfs/dbraw/zinc/87/80/44/1017878044.db2.gz ASQKDJGLCKCZOZ-UHFFFAOYSA-N -1 1 313.313 3.858 20 0 DHADMM O=C(c1ncccc1[O-])N1CCC[C@@H]1c1cccc2ccccc21 ZINC000153656536 1017934320 /nfs/dbraw/zinc/93/43/20/1017934320.db2.gz GMLMPBJUIQIEDS-QGZVFWFLSA-N -1 1 318.376 3.918 20 0 DHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CC2(C1)CCCCC2 ZINC000897346459 1018050483 /nfs/dbraw/zinc/05/04/83/1018050483.db2.gz TYWLXQCCGQMDRS-UHFFFAOYSA-N -1 1 311.381 3.657 20 0 DHADMM CCc1ccccc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000524813690 1018100567 /nfs/dbraw/zinc/10/05/67/1018100567.db2.gz LQOFYUKWVTUNFJ-UHFFFAOYSA-N -1 1 312.394 3.598 20 0 DHADMM CC(C)c1csc(CNC(=O)c2c([O-])cccc2Cl)n1 ZINC000764348707 1018252555 /nfs/dbraw/zinc/25/25/55/1018252555.db2.gz WBACLZAHXMGKAH-UHFFFAOYSA-N -1 1 310.806 3.556 20 0 DHADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(F)nc2)cc1 ZINC000764542361 1018310775 /nfs/dbraw/zinc/31/07/75/1018310775.db2.gz VWYCAZPNAOJZDN-UHFFFAOYSA-N -1 1 322.405 3.709 20 0 DHADMM Cc1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1OC(C)C ZINC000525535638 1018315762 /nfs/dbraw/zinc/31/57/62/1018315762.db2.gz IPBZGFDWPKPVSD-UHFFFAOYSA-N -1 1 323.389 3.722 20 0 DHADMM CC(C)(C)c1nc(CN2CCCC[C@@H]2CCC(=O)[O-])cs1 ZINC000050925645 1018328774 /nfs/dbraw/zinc/32/87/74/1018328774.db2.gz PIRXISWKLUPBIJ-CYBMUJFWSA-N -1 1 310.463 3.660 20 0 DHADMM O=C(Nc1c([O-])cccc1F)[C@@H]1SCCc2sccc21 ZINC000092551577 1018346032 /nfs/dbraw/zinc/34/60/32/1018346032.db2.gz SYVXNYARZMOYDH-CYBMUJFWSA-N -1 1 309.387 3.562 20 0 DHADMM COc1ccc(SCCC(=O)Nc2c([O-])cccc2F)cc1 ZINC000092550372 1018346655 /nfs/dbraw/zinc/34/66/55/1018346655.db2.gz FPENZDFTEJLDID-UHFFFAOYSA-N -1 1 321.373 3.661 20 0 DHADMM CCC(=O)c1cccc(NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000343200544 1018398221 /nfs/dbraw/zinc/39/82/21/1018398221.db2.gz MLWGVMVODZCGTP-UHFFFAOYSA-N -1 1 303.745 3.891 20 0 DHADMM [O-]c1ccc(-c2noc(CC[C@H]3CCCCO3)n2)c(Cl)c1 ZINC000278225985 1018399456 /nfs/dbraw/zinc/39/94/56/1018399456.db2.gz RFCIYUFLESPCPB-LLVKDONJSA-N -1 1 308.765 3.597 20 0 DHADMM [O-]c1c(Br)c(F)ccc1Nc1cccc(O)c1F ZINC001212552108 1018445002 /nfs/dbraw/zinc/44/50/02/1018445002.db2.gz AOVZPRSXXCLCCY-UHFFFAOYSA-N -1 1 316.101 3.882 20 0 DHADMM Cc1ccc([C@@]2(C)CCN(C(=O)c3ccc([O-])cc3F)C2)cc1 ZINC000447694168 1018457753 /nfs/dbraw/zinc/45/77/53/1018457753.db2.gz HASLWQIQLOMONN-IBGZPJMESA-N -1 1 313.372 3.644 20 0 DHADMM [O-]c1ccc(-c2noc(-c3noc4c3CCCC4)n2)c(Cl)c1 ZINC000278283560 1018510846 /nfs/dbraw/zinc/51/08/46/1018510846.db2.gz WJBRQKSUWDOMTA-UHFFFAOYSA-N -1 1 317.732 3.629 20 0 DHADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)cc1 ZINC000448074956 1018527226 /nfs/dbraw/zinc/52/72/26/1018527226.db2.gz QXODQBCXBWQJCG-NSHDSACASA-N -1 1 323.389 3.846 20 0 DHADMM COc1ccc(NC(=O)c2cc3ccccc3cc2[O-])c(OC)c1 ZINC000001841103 1018541678 /nfs/dbraw/zinc/54/16/78/1018541678.db2.gz BAROIKGEGXXQJO-UHFFFAOYSA-N -1 1 323.348 3.815 20 0 DHADMM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(F)cc2[O-])o1 ZINC000676056365 1018651049 /nfs/dbraw/zinc/65/10/49/1018651049.db2.gz ZCQANTLSMOQTHJ-MFKMUULPSA-N -1 1 303.333 3.819 20 0 DHADMM COCCC[C@@H](C[N-]C(=O)C(F)(F)F)c1ccc(Cl)cc1 ZINC000804128179 1018698843 /nfs/dbraw/zinc/69/88/43/1018698843.db2.gz UDMIXAFOAVHTIY-NSHDSACASA-N -1 1 323.742 3.529 20 0 DHADMM COc1ccccc1[C@H]([N-]c1nnc(C2CC2)o1)c1ccccn1 ZINC000278461854 1018713468 /nfs/dbraw/zinc/71/34/68/1018713468.db2.gz STEORHLMORFAAW-INIZCTEOSA-N -1 1 322.368 3.552 20 0 DHADMM CCOc1cc(-c2noc(Cc3ccco3)n2)cc(Cl)c1[O-] ZINC000445430180 1018739120 /nfs/dbraw/zinc/73/91/20/1018739120.db2.gz IBWCYYSXXQCIJZ-UHFFFAOYSA-N -1 1 320.732 3.678 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CCCCC[C@H]1c1ccco1 ZINC000154909894 1018848119 /nfs/dbraw/zinc/84/81/19/1018848119.db2.gz HRBWGVYEKQNLBI-HNNXBMFYSA-N -1 1 303.333 3.882 20 0 DHADMM O=C([O-])c1cccc(Cl)c1CN1CCC[C@H](OC2CCC2)C1 ZINC000656191558 1018937855 /nfs/dbraw/zinc/93/78/55/1018937855.db2.gz NFSAITITMZROSJ-ZDUSSCGKSA-N -1 1 323.820 3.572 20 0 DHADMM Cn1cc(NC(=O)c2cc(F)ccc2[O-])c(C2CCCCC2)n1 ZINC000584154671 1018988955 /nfs/dbraw/zinc/98/89/55/1018988955.db2.gz ICPUXTLUIKEMNA-UHFFFAOYSA-N -1 1 317.364 3.565 20 0 DHADMM CCCc1cc(=O)[n-]c(S[C@H](C)c2nc(C(C)(C)C)no2)n1 ZINC000023950384 1018989467 /nfs/dbraw/zinc/98/94/67/1018989467.db2.gz AEQJXRRBFSFEKJ-SECBINFHSA-N -1 1 322.434 3.669 20 0 DHADMM Cc1nc(-c2ccccc2)oc1C(=O)Nc1cccc(F)c1[O-] ZINC001171632946 1032800185 /nfs/dbraw/zinc/80/01/85/1032800185.db2.gz YIRBZTKHLZAQGK-UHFFFAOYSA-N -1 1 312.300 3.747 20 0 DHADMM Cc1ccc(-c2csc3[n-]c(COC(C)C)nc(=O)c23)s1 ZINC000075078615 1018995176 /nfs/dbraw/zinc/99/51/76/1018995176.db2.gz FBIXZXOIBJJYSW-UHFFFAOYSA-N -1 1 320.439 3.947 20 0 DHADMM CSc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000007056644 1019001255 /nfs/dbraw/zinc/00/12/55/1019001255.db2.gz FEYNNYKTRFPXCY-UHFFFAOYSA-N -1 1 307.440 3.826 20 0 DHADMM C[C@H](Oc1cccc(F)c1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000111668361 1019050909 /nfs/dbraw/zinc/05/09/09/1019050909.db2.gz BAJIGSPIRTVPGC-VIFPVBQESA-N -1 1 309.724 3.591 20 0 DHADMM COc1ccc2nc(-c3ccc4[nH]c(C)c(C)c4c3)[n-]c(=O)c2c1 ZINC000063580486 1019062522 /nfs/dbraw/zinc/06/25/22/1019062522.db2.gz JUWRKYBBAZQWTE-UHFFFAOYSA-N -1 1 319.364 3.697 20 0 DHADMM [O-]c1c(F)cc(Nc2cc(Cl)nc3ccnn32)cc1Cl ZINC001214486444 1019083182 /nfs/dbraw/zinc/08/31/82/1019083182.db2.gz IGRCSSCYAWJVSX-UHFFFAOYSA-N -1 1 313.119 3.624 20 0 DHADMM Cc1cc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c(C)o1 ZINC000756377956 1019092413 /nfs/dbraw/zinc/09/24/13/1019092413.db2.gz BQPUEGAHZFIWNM-CQSZACIVSA-N -1 1 311.740 3.604 20 0 DHADMM [O-]c1c(F)cc(Nc2nnccc2C(F)(F)F)cc1Cl ZINC001214486750 1019191711 /nfs/dbraw/zinc/19/17/11/1019191711.db2.gz XPTWESIUSLMMBF-UHFFFAOYSA-N -1 1 307.634 3.737 20 0 DHADMM O=C(Nc1cccc(-n2cccc2)c1)c1c(F)ccc([O-])c1F ZINC000347926258 1019322350 /nfs/dbraw/zinc/32/23/50/1019322350.db2.gz HEECTLHBZNPIRX-UHFFFAOYSA-N -1 1 314.291 3.713 20 0 DHADMM C[C@H](c1ccc(Cl)cc1Cl)N1CC[C@H](CNC(=O)[O-])C1 ZINC000739050511 1019364406 /nfs/dbraw/zinc/36/44/06/1019364406.db2.gz AHHJGNCZFGNKPP-NXEZZACHSA-N -1 1 317.216 3.644 20 0 DHADMM COc1ccc2nc(-c3cc(C)c4ccccc4n3)[n-]c(=O)c2c1 ZINC000487507674 1019364825 /nfs/dbraw/zinc/36/48/25/1019364825.db2.gz XRRRPIBAUIOGIV-UHFFFAOYSA-N -1 1 317.348 3.868 20 0 DHADMM Cc1cccc(OCCN(C)C(=O)c2c([O-])cccc2Cl)c1 ZINC000143653579 1019416082 /nfs/dbraw/zinc/41/60/82/1019416082.db2.gz PRNRZQOQVKFSIM-UHFFFAOYSA-N -1 1 319.788 3.505 20 0 DHADMM Cc1ccc(-c2noc(-c3ncccc3[O-])n2)c(C(F)(F)F)c1 ZINC001212480793 1019418214 /nfs/dbraw/zinc/41/82/14/1019418214.db2.gz JCLYAWFDDFRXCK-UHFFFAOYSA-N -1 1 321.258 3.831 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)sc1C ZINC000091010834 1019428959 /nfs/dbraw/zinc/42/89/59/1019428959.db2.gz DJFPIVRCXKTNJN-UHFFFAOYSA-N -1 1 319.810 3.958 20 0 DHADMM CC1(C)CCc2onc(C(=O)[N-]c3c(F)cc(F)cc3F)c2C1 ZINC000875381216 1032831478 /nfs/dbraw/zinc/83/14/78/1032831478.db2.gz XHSYXYDFKQTZEG-UHFFFAOYSA-N -1 1 324.302 3.859 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1cccc(Oc2ccncc2)c1 ZINC000230589152 1019721444 /nfs/dbraw/zinc/72/14/44/1019721444.db2.gz XBWUTRDXKQFMRR-UHFFFAOYSA-N -1 1 324.311 3.971 20 0 DHADMM Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)c1ncccc1[O-] ZINC000673460405 1019962960 /nfs/dbraw/zinc/96/29/60/1019962960.db2.gz GVIANGSNKHBCKM-HNNXBMFYSA-N -1 1 312.413 3.955 20 0 DHADMM O=C1c2ccccc2N[C@@H](c2ccc([O-])c(Cl)c2)N1C1CC1 ZINC000067438668 1019981707 /nfs/dbraw/zinc/98/17/07/1019981707.db2.gz AGYRLFKZRPFZIU-MRXNPFEDSA-N -1 1 314.772 3.775 20 0 DHADMM CCC(C)(C)C(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1 ZINC000068447168 1020022820 /nfs/dbraw/zinc/02/28/20/1020022820.db2.gz XUWGWRCMJLQQQM-UHFFFAOYSA-N -1 1 324.494 3.664 20 0 DHADMM CCC(CC)c1nnc([N-]C(=O)c2ncoc2C(C)C)s1 ZINC000731876345 1020160041 /nfs/dbraw/zinc/16/00/41/1020160041.db2.gz UMJOJYXKKFSMCH-UHFFFAOYSA-N -1 1 308.407 3.805 20 0 DHADMM [O-]c1ccc(-c2noc(CC3CCC(F)(F)CC3)n2)cc1F ZINC000624577263 1020251721 /nfs/dbraw/zinc/25/17/21/1020251721.db2.gz SFXNTUQLOBYMFW-UHFFFAOYSA-N -1 1 312.291 3.949 20 0 DHADMM Cc1noc(C(F)F)c1C(=O)[N-]c1ccc(F)c(F)c1F ZINC000673699084 1020449478 /nfs/dbraw/zinc/44/94/78/1020449478.db2.gz IIGVHEUJELECHC-UHFFFAOYSA-N -1 1 306.190 3.590 20 0 DHADMM C/C=C\C[C@@H]1CCCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000626162216 1020596928 /nfs/dbraw/zinc/59/69/28/1020596928.db2.gz QNTXIDZIBVXEQV-ZZKXABKFSA-N -1 1 303.431 3.575 20 0 DHADMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@H]2CCC[C@H]21 ZINC000174252970 1020964625 /nfs/dbraw/zinc/96/46/25/1020964625.db2.gz XNCJTMKRAGXMPL-ZWNOBZJWSA-N -1 1 324.218 3.559 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CCC[C@](F)(c2ccccc2)C1 ZINC001171939253 1032944087 /nfs/dbraw/zinc/94/40/87/1032944087.db2.gz VLUAAIDGFIFHGF-GOSISDBHSA-N -1 1 317.335 3.632 20 0 DHADMM CC(C)Sc1c(Cl)cccc1[N-]C(=O)c1cnsn1 ZINC000741572626 1021030298 /nfs/dbraw/zinc/03/02/98/1021030298.db2.gz FQTOBLPILCXZSG-UHFFFAOYSA-N -1 1 313.835 3.944 20 0 DHADMM C[C@@H](CNC(=O)c1c([O-])cccc1Cl)Cc1cccs1 ZINC000743656223 1021345103 /nfs/dbraw/zinc/34/51/03/1021345103.db2.gz HNTCNQNURWFENW-SNVBAGLBSA-N -1 1 309.818 3.716 20 0 DHADMM C[C@@H](COc1ccccc1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000917775017 1021358498 /nfs/dbraw/zinc/35/84/98/1021358498.db2.gz DGXVJQIGPCXRFC-AWEZNQCLSA-N -1 1 321.376 3.743 20 0 DHADMM Cc1cc(C=O)c([O-])c(C(=O)N2CCC(C3CCCC3)CC2)c1 ZINC001137101778 1032983171 /nfs/dbraw/zinc/98/31/71/1032983171.db2.gz VGMZNKMSFJMVDH-UHFFFAOYSA-N -1 1 315.413 3.556 20 0 DHADMM C[C@@]1(CNC(=O)c2ccc3ccccc3c2[O-])CCCS1 ZINC000129476243 1021495127 /nfs/dbraw/zinc/49/51/27/1021495127.db2.gz QNUNRIAQBQHKMI-KRWDZBQOSA-N -1 1 301.411 3.561 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)C1(c2ccccc2F)CC1 ZINC000129619906 1021524547 /nfs/dbraw/zinc/52/45/47/1021524547.db2.gz RRTRNCGYXSFNOS-UHFFFAOYSA-N -1 1 305.736 3.855 20 0 DHADMM CCSc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)ccn1 ZINC000129645728 1021525596 /nfs/dbraw/zinc/52/55/96/1021525596.db2.gz XUWIWALFSCKJFF-UHFFFAOYSA-N -1 1 308.790 3.805 20 0 DHADMM CCOc1cc(C(=O)N[C@](C)(CC)C2CC2)cc(Cl)c1[O-] ZINC000618957980 1021589112 /nfs/dbraw/zinc/58/91/12/1021589112.db2.gz NLLPMVYLMWPSLJ-MRXNPFEDSA-N -1 1 311.809 3.753 20 0 DHADMM Cc1cc(F)cc(C(=O)Nc2ccc([O-])c(Cl)c2)c1[N+](=O)[O-] ZINC000182863805 1021840377 /nfs/dbraw/zinc/84/03/77/1021840377.db2.gz FBDDCDVEFQYALR-UHFFFAOYSA-N -1 1 324.695 3.654 20 0 DHADMM CC(C)Oc1ccccc1CNC(=O)c1c([O-])cccc1Cl ZINC000920457198 1022123420 /nfs/dbraw/zinc/12/34/20/1022123420.db2.gz JFQVMCRNVRNQFO-UHFFFAOYSA-N -1 1 319.788 3.763 20 0 DHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccnc(Cl)c2)c1 ZINC000180251439 1022123452 /nfs/dbraw/zinc/12/34/52/1022123452.db2.gz UBVRZURNOVLHNM-UHFFFAOYSA-N -1 1 310.806 3.659 20 0 DHADMM O=C(N[C@@H]1CCc2cc(F)ccc21)c1c([O-])cccc1Cl ZINC000920463475 1022123510 /nfs/dbraw/zinc/12/35/10/1022123510.db2.gz QBFVVWPPKJWWAP-CYBMUJFWSA-N -1 1 305.736 3.602 20 0 DHADMM Cc1cccc(OCCCNC(=O)c2c([O-])cccc2Cl)c1 ZINC000920432027 1022125041 /nfs/dbraw/zinc/12/50/41/1022125041.db2.gz CAKMCBHBYNVKEG-UHFFFAOYSA-N -1 1 319.788 3.553 20 0 DHADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@H](c1ccccc1)C1CC1 ZINC000630631285 1022180877 /nfs/dbraw/zinc/18/08/77/1022180877.db2.gz SYTJPRLQVOBFFA-GOSISDBHSA-N -1 1 315.800 3.856 20 0 DHADMM Cc1ccccc1[C@@H](C)NC(=O)c1ncc2ccccc2c1[O-] ZINC001169012889 1022215544 /nfs/dbraw/zinc/21/55/44/1022215544.db2.gz UUSHLHCCPQQATD-CYBMUJFWSA-N -1 1 306.365 3.740 20 0 DHADMM O=C(NCc1ccc([O-])c(Cl)c1)N1CC2(C1)CCCCC2 ZINC000876396037 1033037067 /nfs/dbraw/zinc/03/70/67/1033037067.db2.gz VCIIKZXAFXRYPC-UHFFFAOYSA-N -1 1 308.809 3.521 20 0 DHADMM CS[C@H]1CCCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000154273334 1022291697 /nfs/dbraw/zinc/29/16/97/1022291697.db2.gz ABDIENWDELSEIM-AWEZNQCLSA-N -1 1 315.438 3.903 20 0 DHADMM C[C@@H](SCc1ccccc1)C(=O)Nc1c([O-])cccc1F ZINC000609851243 1022365287 /nfs/dbraw/zinc/36/52/87/1022365287.db2.gz YNQDBZHZOBMIPY-LLVKDONJSA-N -1 1 305.374 3.792 20 0 DHADMM [O-]c1ccc(-c2noc(CC[C@@H]3CC3(Cl)Cl)n2)cc1F ZINC000854050651 1022397002 /nfs/dbraw/zinc/39/70/02/1022397002.db2.gz HZCLOEJOTYUAQH-MRVPVSSYSA-N -1 1 317.147 3.708 20 0 DHADMM CC(C)(C)CN(CC(=O)[O-])Cc1ccc(CSC(F)F)o1 ZINC000854243898 1022438049 /nfs/dbraw/zinc/43/80/49/1022438049.db2.gz HAHVTJUFFMQVLD-UHFFFAOYSA-N -1 1 321.389 3.668 20 0 DHADMM CC(C)(C)C(=O)CCCC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678357 1022462577 /nfs/dbraw/zinc/46/25/77/1022462577.db2.gz NOLTZQKVPVMSPV-UHFFFAOYSA-N -1 1 315.772 3.909 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H]1c1ccc(O)cc1 ZINC000620973670 1022475194 /nfs/dbraw/zinc/47/51/94/1022475194.db2.gz SQTPZSXRGHQSJG-OAHLLOKOSA-N -1 1 317.772 3.729 20 0 DHADMM CC(C)c1scnc1[N-]C(=O)c1conc1C(F)(F)F ZINC000854494506 1022482782 /nfs/dbraw/zinc/48/27/82/1022482782.db2.gz QJWNOKQZAHIINL-UHFFFAOYSA-N -1 1 305.281 3.526 20 0 DHADMM COc1ccc(C(=O)N(C)c2ccc(C)c(Cl)c2)c([O-])c1 ZINC000113067936 1022587787 /nfs/dbraw/zinc/58/77/87/1022587787.db2.gz FEWAHSJUQJBCQB-UHFFFAOYSA-N -1 1 305.761 3.639 20 0 DHADMM CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)c1ccccc1)C(F)(F)F ZINC000767109855 1022641556 /nfs/dbraw/zinc/64/15/56/1022641556.db2.gz XVOMLVNVKCKUPY-ONGXEEELSA-N -1 1 309.278 3.872 20 0 DHADMM O=C(Nc1ccc(Cl)c2cccnc12)c1ccc([O-])c(F)c1 ZINC000767295420 1022684766 /nfs/dbraw/zinc/68/47/66/1022684766.db2.gz YEJMFWRBHSPIFH-UHFFFAOYSA-N -1 1 316.719 3.985 20 0 DHADMM CN(C(=O)c1cncc([O-])c1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000616328722 1022691988 /nfs/dbraw/zinc/69/19/88/1022691988.db2.gz NVGNRPMJLSYARR-QZTJIDSGSA-N -1 1 310.397 3.586 20 0 DHADMM CN(c1ccccc1)c1ccc(C=C2SC(=O)[N-]C2=O)cc1 ZINC000113835314 1022731684 /nfs/dbraw/zinc/73/16/84/1022731684.db2.gz IXLFYALJGVCXND-RVDMUPIBSA-N -1 1 310.378 3.778 20 0 DHADMM CC(Cl)(Cl)C(=O)[N-]Nc1c(Cl)cccc1Cl ZINC000180653377 1022773339 /nfs/dbraw/zinc/77/33/39/1022773339.db2.gz ANJQDYIUPARBOM-UHFFFAOYSA-N -1 1 301.988 3.630 20 0 DHADMM CCCc1csc(CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])n1 ZINC000417571118 1022788468 /nfs/dbraw/zinc/78/84/68/1022788468.db2.gz WWGJJBQMFXXRQU-MLGOLLRUSA-N -1 1 318.442 3.647 20 0 DHADMM CCc1nc(CNCc2cc(C)cc(Cl)c2)ccc1C(=O)[O-] ZINC000417563448 1022789361 /nfs/dbraw/zinc/78/93/61/1022789361.db2.gz JLKIELQNMJTHDW-UHFFFAOYSA-N -1 1 318.804 3.594 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1CCC(c2ccco2)CC1 ZINC000617379662 1022932741 /nfs/dbraw/zinc/93/27/41/1022932741.db2.gz KHFNQHURCBWSKE-UHFFFAOYSA-N -1 1 305.761 3.658 20 0 DHADMM O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1c([O-])cccc1Cl ZINC000768373974 1022955190 /nfs/dbraw/zinc/95/51/90/1022955190.db2.gz HLYCGRLGMFDEBK-GFCCVEGCSA-N -1 1 323.820 3.657 20 0 DHADMM Cc1nc(SCc2cc(-c3ccccc3)no2)[n-]c(=O)c1C ZINC000538516326 1033089514 /nfs/dbraw/zinc/08/95/14/1033089514.db2.gz UXWTYSZJNHPAKV-UHFFFAOYSA-N -1 1 313.382 3.746 20 0 DHADMM O=C(c1c(F)ccc([O-])c1F)N1CCCC2(CCCC2)CC1 ZINC000617563314 1023000607 /nfs/dbraw/zinc/00/06/07/1023000607.db2.gz NNWWFMSZIZVZGB-UHFFFAOYSA-N -1 1 309.356 3.857 20 0 DHADMM Cc1cncc(C(=O)/C=C/c2ccc([O-])c(Br)c2)c1 ZINC000184761644 1023107190 /nfs/dbraw/zinc/10/71/90/1023107190.db2.gz ILDUIHOKZVJELT-DUXPYHPUSA-N -1 1 318.170 3.754 20 0 DHADMM CC(C)(CNC(=O)c1c([O-])cccc1F)c1ccccc1Cl ZINC000622351356 1023124454 /nfs/dbraw/zinc/12/44/54/1023124454.db2.gz NKNKJQRZSGNFCL-UHFFFAOYSA-N -1 1 321.779 3.892 20 0 DHADMM CC[C@H](NC(=O)c1c([O-])cccc1Cl)c1nc(C)cs1 ZINC000769780185 1023212446 /nfs/dbraw/zinc/21/24/46/1023212446.db2.gz VVBUVFRNNXRRAA-JTQLQIEISA-N -1 1 310.806 3.692 20 0 DHADMM C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)[C@H](C)C1 ZINC000644814502 1023366997 /nfs/dbraw/zinc/36/69/97/1023366997.db2.gz LFXLKAKCQJIMFC-NXEZZACHSA-N -1 1 301.308 3.672 20 0 DHADMM CCC(CC)n1ccc(COC(=O)c2c([O-])cc(F)cc2F)n1 ZINC000771338214 1023425469 /nfs/dbraw/zinc/42/54/69/1023425469.db2.gz TVYMFSDIEFYEEW-UHFFFAOYSA-N -1 1 324.327 3.585 20 0 DHADMM O=C(Nc1cc(F)cc(Cl)c1[O-])c1c(O)cccc1Cl ZINC000771510480 1023446575 /nfs/dbraw/zinc/44/65/75/1023446575.db2.gz KECZHRVICGRYKD-UHFFFAOYSA-N -1 1 316.115 3.796 20 0 DHADMM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1c([O-])cccc1Cl ZINC000787495054 1023797670 /nfs/dbraw/zinc/79/76/70/1023797670.db2.gz OEVABWDCNWCIRJ-JTQLQIEISA-N -1 1 321.726 3.849 20 0 DHADMM CCn1cc(C(=O)Nc2nc(Cl)ccc2[O-])c2ccccc21 ZINC000789930206 1024184035 /nfs/dbraw/zinc/18/40/35/1024184035.db2.gz IQANLBFNFZALJO-UHFFFAOYSA-N -1 1 315.760 3.668 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])C1(c2ccc(Cl)cc2)CC1 ZINC000789930235 1024185177 /nfs/dbraw/zinc/18/51/77/1024185177.db2.gz NZULSPDXEFQNIB-UHFFFAOYSA-N -1 1 323.179 3.764 20 0 DHADMM CC[C@H](C(=O)Nc1nc(Cl)ccc1[O-])c1ccc(OC)cc1 ZINC000790048783 1024212403 /nfs/dbraw/zinc/21/24/03/1024212403.db2.gz VAJJZQDUZNTPGA-LBPRGKRZSA-N -1 1 320.776 3.582 20 0 DHADMM CCOc1cc(C(=O)NC2(CC)CCCC2)cc(Cl)c1[O-] ZINC000452951974 1024253207 /nfs/dbraw/zinc/25/32/07/1024253207.db2.gz DEEILMYXUCPHTN-UHFFFAOYSA-N -1 1 311.809 3.897 20 0 DHADMM C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000317173772 1024489527 /nfs/dbraw/zinc/48/95/27/1024489527.db2.gz IOSNCDITCKBESO-AWEZNQCLSA-N -1 1 319.298 3.531 20 0 DHADMM C[C@]1(C(=O)[O-])CCCN(Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000317173772 1024489529 /nfs/dbraw/zinc/48/95/29/1024489529.db2.gz IOSNCDITCKBESO-AWEZNQCLSA-N -1 1 319.298 3.531 20 0 DHADMM Cc1cnc(SCC(=O)c2ccc(C(C)C)cc2)[n-]c1=O ZINC000314149468 1024518276 /nfs/dbraw/zinc/51/82/76/1024518276.db2.gz MJXAXCMUYLBAAD-UHFFFAOYSA-N -1 1 302.399 3.589 20 0 DHADMM CC(C)(CNC(=O)NCc1ccc([O-])c(Cl)c1)CC(F)F ZINC000883811754 1024521771 /nfs/dbraw/zinc/52/17/71/1024521771.db2.gz WDDRATWCIMYECX-UHFFFAOYSA-N -1 1 320.767 3.526 20 0 DHADMM O=C(Nc1nnc(C2CCCCC2)s1)c1ccccc1[O-] ZINC000029088798 1024571837 /nfs/dbraw/zinc/57/18/37/1024571837.db2.gz CGKANKKXRNLBMA-UHFFFAOYSA-N -1 1 303.387 3.544 20 0 DHADMM CC(C)CCC(=O)N1CCC(c2n[n-]c(=S)n2C(C)C)CC1 ZINC000068447302 1024654931 /nfs/dbraw/zinc/65/49/31/1024654931.db2.gz IPODBDKHSVWPPF-UHFFFAOYSA-N -1 1 324.494 3.664 20 0 DHADMM C[C@@H](c1cc(Cl)ccc1Cl)N1CCC[C@@H](C(=O)[O-])C1 ZINC000226398010 1024766892 /nfs/dbraw/zinc/76/68/92/1024766892.db2.gz PBNHYKBSVDYYRM-VHSXEESVSA-N -1 1 302.201 3.851 20 0 DHADMM [O-]c1ccc(-c2nc([C@@H]3CCc4ccccc4C3)no2)c(F)c1 ZINC000322853140 1024805923 /nfs/dbraw/zinc/80/59/23/1024805923.db2.gz WZFSJOCBRIRQST-CYBMUJFWSA-N -1 1 310.328 3.854 20 0 DHADMM COC(=O)c1cccc(NCc2cccc([O-])c2Cl)c1C ZINC000328326313 1024856340 /nfs/dbraw/zinc/85/63/40/1024856340.db2.gz IBZJPKQRSHDWID-UHFFFAOYSA-N -1 1 305.761 3.753 20 0 DHADMM Cc1nc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2o1 ZINC000073957088 1024885860 /nfs/dbraw/zinc/88/58/60/1024885860.db2.gz ZDBPGZYSQASCPD-UHFFFAOYSA-N -1 1 322.773 3.590 20 0 DHADMM O=C([O-])[C@@H]1CCCCN1Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000263424730 1024986302 /nfs/dbraw/zinc/98/63/02/1024986302.db2.gz QCXUQGDATYNCHQ-LBPRGKRZSA-N -1 1 321.726 3.798 20 0 DHADMM O=c1nc(-c2ccc[nH]2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000134473053 1025115449 /nfs/dbraw/zinc/11/54/49/1025115449.db2.gz QYSYTIBRTNOVOH-UHFFFAOYSA-N -1 1 311.341 3.786 20 0 DHADMM COc1ncc(Nc2ccnc(Cl)c2[O-])cc1C(F)(F)F ZINC001212800569 1025133975 /nfs/dbraw/zinc/13/39/75/1025133975.db2.gz QHPGCXHLHVLNKF-UHFFFAOYSA-N -1 1 319.670 3.607 20 0 DHADMM Cc1cc2cn[nH]c2c(C(=O)Nc2cc(F)cc(Cl)c2[O-])c1 ZINC000353887428 1025280642 /nfs/dbraw/zinc/28/06/42/1025280642.db2.gz IXNHHMHLQXOMCA-UHFFFAOYSA-N -1 1 319.723 3.622 20 0 DHADMM Cc1nc(C2CC2)oc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885676527 1025377571 /nfs/dbraw/zinc/37/75/71/1025377571.db2.gz PYCJFYDELPYRHP-UHFFFAOYSA-N -1 1 310.712 3.611 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)C1(C(F)(F)F)CCC1 ZINC000885678002 1025377601 /nfs/dbraw/zinc/37/76/01/1025377601.db2.gz GOAUVRZHKHRBRK-UHFFFAOYSA-N -1 1 311.662 3.856 20 0 DHADMM CCCCCCOCC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885676542 1025378982 /nfs/dbraw/zinc/37/89/82/1025378982.db2.gz QQMAIYUWBLIHPW-UHFFFAOYSA-N -1 1 303.761 3.720 20 0 DHADMM CCOCCCCCC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885679940 1025380691 /nfs/dbraw/zinc/38/06/91/1025380691.db2.gz JDENOGFPGHZEEV-UHFFFAOYSA-N -1 1 303.761 3.720 20 0 DHADMM CCn1ncc(C(=O)Nc2cc(F)c([O-])cc2Cl)c1C1CC1 ZINC000885679778 1025381743 /nfs/dbraw/zinc/38/17/43/1025381743.db2.gz GYDWPARGKWNKTP-UHFFFAOYSA-N -1 1 323.755 3.531 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@@H]1CC12CCSCC2 ZINC000885678073 1025381947 /nfs/dbraw/zinc/38/19/47/1025381947.db2.gz IHJGZCMQEDAOKV-QMMMGPOBSA-N -1 1 315.797 3.657 20 0 DHADMM CCO[C@H](C(=O)Nc1cc(F)c([O-])cc1Cl)C1CCCC1 ZINC000885680769 1025382316 /nfs/dbraw/zinc/38/23/16/1025382316.db2.gz YSBBQPUOMDCYTC-AWEZNQCLSA-N -1 1 315.772 3.719 20 0 DHADMM CCCCCC[C@@H](C)CC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129757545 1025409588 /nfs/dbraw/zinc/40/95/88/1025409588.db2.gz HBKMRFXKLJRIJT-CYBMUJFWSA-N -1 1 319.449 3.996 20 0 DHADMM O=C(Cc1ccc([O-])c(Cl)c1)NC1(c2ccc(F)cc2)CC1 ZINC001137222578 1025431465 /nfs/dbraw/zinc/43/14/65/1025431465.db2.gz VJSQXZVDZBGPTR-UHFFFAOYSA-N -1 1 319.763 3.533 20 0 DHADMM CCn1c(C)cc(C([O-])=C[S@](=O)Cc2cccc(C)c2)c1C ZINC000354908510 1025544702 /nfs/dbraw/zinc/54/47/02/1025544702.db2.gz JLLMPHIJDRLSKO-JOCHJYFZSA-N -1 1 317.454 3.565 20 0 DHADMM CC[C@@H](C)c1cc(C(=O)[N-]c2ncnc3oc(C)c(C)c32)on1 ZINC000132646992 1025748986 /nfs/dbraw/zinc/74/89/86/1025748986.db2.gz NACJMVJOXKSHGY-MRVPVSSYSA-N -1 1 314.345 3.593 20 0 DHADMM Nc1ncc2cc(Nc3cc(Cl)c([O-])cc3Cl)ccc2n1 ZINC001213112452 1025757036 /nfs/dbraw/zinc/75/70/36/1025757036.db2.gz QLRFUXNGHGYELI-UHFFFAOYSA-N -1 1 321.167 3.968 20 0 DHADMM O=C(Nc1cc(Cl)c([O-])cc1F)c1ccc(Cl)cc1O ZINC000805258491 1025861096 /nfs/dbraw/zinc/86/10/96/1025861096.db2.gz IBTMFZCUSXHMQQ-UHFFFAOYSA-N -1 1 316.115 3.796 20 0 DHADMM C[C@H]1CN(Cc2ccc(C(=O)[O-])c(Cl)c2)C[C@H](C)C1(F)F ZINC000629363158 1026044871 /nfs/dbraw/zinc/04/48/71/1026044871.db2.gz BMRRAJZOXDHACA-UWVGGRQHSA-N -1 1 317.763 3.761 20 0 DHADMM CC(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](C)c3ccccc32)c1 ZINC000121880738 1026161244 /nfs/dbraw/zinc/16/12/44/1026161244.db2.gz HLIBAFIAGOVZFD-LBPRGKRZSA-N -1 1 324.380 3.505 20 0 DHADMM CC[C@@H]1CCc2c(sc3nc(-c4coc(C)n4)[n-]c(=O)c23)C1 ZINC000290029200 1026291803 /nfs/dbraw/zinc/29/18/03/1026291803.db2.gz YBTASRARWVBACS-SECBINFHSA-N -1 1 315.398 3.875 20 0 DHADMM CCCc1nc(C)c([N-]S(=O)(=O)CCC(C)(C)C)s1 ZINC000357077251 1026307330 /nfs/dbraw/zinc/30/73/30/1026307330.db2.gz AJFQBWDKMRIZRO-UHFFFAOYSA-N -1 1 304.481 3.582 20 0 DHADMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccccc1Oc1cccc(C)c1 ZINC000647815789 1026509727 /nfs/dbraw/zinc/50/97/27/1026509727.db2.gz LFQITYPKSGOHBZ-UHFFFAOYSA-N -1 1 323.352 3.777 20 0 DHADMM O=C(N[C@H]1CCCC2(CC2)C1)c1ccc(Br)cc1[O-] ZINC000710206401 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FC(F)(F)c1c[n-]c(-c2nc(-c3ccc4occc4c3)no2)n1 ZINC001212689860 1033460949 /nfs/dbraw/zinc/46/09/49/1033460949.db2.gz QFLLDRDYNDYLAB-UHFFFAOYSA-N -1 1 320.230 3.892 20 0 DHADMM O=C([N-]c1nnc(C2CCCCC2)s1)c1cnc(C2CC2)o1 ZINC000878075463 1033572289 /nfs/dbraw/zinc/57/22/89/1033572289.db2.gz VXYXCBHYVBMQHJ-UHFFFAOYSA-N -1 1 318.402 3.704 20 0 DHADMM CC(C)c1ccc(C(=O)N2CC[C@H](O)c3ccccc32)c([O-])c1 ZINC000889263662 1033636672 /nfs/dbraw/zinc/63/66/72/1033636672.db2.gz DNQYGGIMQFMLJD-KRWDZBQOSA-N -1 1 311.381 3.600 20 0 DHADMM Cc1c(F)ccc(-c2noc(-c3ccncc3[O-])n2)c1Cl ZINC001212721325 1033696251 /nfs/dbraw/zinc/69/62/51/1033696251.db2.gz KJTLVSMZWSTLJS-UHFFFAOYSA-N -1 1 305.696 3.605 20 0 DHADMM Cc1ccc(C(F)(F)F)c(-c2noc(-c3ccncc3[O-])n2)c1 ZINC001212721327 1033697848 /nfs/dbraw/zinc/69/78/48/1033697848.db2.gz KKZQJAXQVHKINW-UHFFFAOYSA-N -1 1 321.258 3.831 20 0 DHADMM Nc1cccc(S(=O)(=O)[N-]c2cccc(-c3ccccc3)c2)c1 ZINC001173911744 1033942450 /nfs/dbraw/zinc/94/24/50/1033942450.db2.gz NWJMLNHGZZVBDM-UHFFFAOYSA-N -1 1 324.405 3.737 20 0 DHADMM COc1cc(Cl)c(Cl)cc1[N-]S(=O)(=O)CCC1CC1 ZINC000480201666 1034130477 /nfs/dbraw/zinc/13/04/77/1034130477.db2.gz QIUKWJFUIBADLV-UHFFFAOYSA-N -1 1 324.229 3.544 20 0 DHADMM CC(C)(C)NC(=O)c1ccc(Nc2c([O-])cc(F)cc2F)cc1 ZINC001174125617 1034147589 /nfs/dbraw/zinc/14/75/89/1034147589.db2.gz JBNKBKOIWOLAME-UHFFFAOYSA-N -1 1 320.339 3.942 20 0 DHADMM COc1ccccc1Cc1nc(=O)c2c(C)sc(C)c2[n-]1 ZINC000864354345 1034326442 /nfs/dbraw/zinc/32/64/42/1034326442.db2.gz FDXDTSUIMQFTSM-UHFFFAOYSA-N -1 1 300.383 3.613 20 0 DHADMM CCc1ccccc1[C@H](CC(=O)[O-])NCc1cccnc1Cl ZINC000864528287 1034376710 /nfs/dbraw/zinc/37/67/10/1034376710.db2.gz NOWZSNVSJAYVHN-HNNXBMFYSA-N -1 1 318.804 3.603 20 0 DHADMM CO[C@@H](CSc1nc(C2CC2)cc(=O)[n-]1)c1ccccc1 ZINC000554884280 1034401160 /nfs/dbraw/zinc/40/11/60/1034401160.db2.gz FZYSPFKMBAYXHJ-AWEZNQCLSA-N -1 1 302.399 3.539 20 0 DHADMM C[C@H]1CO[C@@H](C(=O)Nc2cc(Cl)c([O-])c3ccccc23)C1 ZINC000899051581 1034428998 /nfs/dbraw/zinc/42/89/98/1034428998.db2.gz YFZNUPXMEQNVFT-YMTOWFKASA-N -1 1 305.761 3.562 20 0 DHADMM CCNC(=O)Nc1ccc(Nc2ccc(F)c(F)c2[O-])cc1 ZINC001174525894 1034441981 /nfs/dbraw/zinc/44/19/81/1034441981.db2.gz ZGJQZFKGSAGCLK-UHFFFAOYSA-N -1 1 307.300 3.555 20 0 DHADMM CNC(=O)c1ccc(Nc2c(Cl)ccc([O-])c2Cl)cc1 ZINC001174512606 1034471036 /nfs/dbraw/zinc/47/10/36/1034471036.db2.gz TZTPAQMTLWGHME-UHFFFAOYSA-N -1 1 311.168 3.802 20 0 DHADMM [O-]c1c(Cl)nccc1Nc1ccc(N2CCCCC2)nc1 ZINC001174521911 1034478524 /nfs/dbraw/zinc/47/85/24/1034478524.db2.gz BMHJTSJCYIGSFM-UHFFFAOYSA-N -1 1 304.781 3.570 20 0 DHADMM [O-]c1cc(Nc2cnn([C@@H]3CCCCO3)c2)c(F)cc1Cl ZINC001174606673 1034533944 /nfs/dbraw/zinc/53/39/44/1034533944.db2.gz YLHZWFFDJJNPON-AWEZNQCLSA-N -1 1 311.744 3.824 20 0 DHADMM COc1ccc2nc(-n3[n-]c(C)c(C(C)C)c3=O)c(C)cc2c1 ZINC000899352457 1034586593 /nfs/dbraw/zinc/58/65/93/1034586593.db2.gz JBKOZFLOYGVZSL-MRXNPFEDSA-N -1 1 311.385 3.547 20 0 DHADMM C[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)c1ccc(F)nc1 ZINC000882119402 1034747908 /nfs/dbraw/zinc/74/79/08/1034747908.db2.gz WGZKSRDSJDGAKT-LURJTMIESA-N -1 1 319.283 3.588 20 0 DHADMM C[C@H](C1CC1)n1nccc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000192274552 1034791183 /nfs/dbraw/zinc/79/11/83/1034791183.db2.gz BSXGLIUWTAFASL-SECBINFHSA-N -1 1 320.780 3.857 20 0 DHADMM CCOc1cc(C(=O)Nc2ccc(C)cc2O)cc(Cl)c1[O-] ZINC000192850248 1034808952 /nfs/dbraw/zinc/80/89/52/1034808952.db2.gz XMSITZNLJJRHSO-UHFFFAOYSA-N -1 1 321.760 3.711 20 0 DHADMM O=c1oc2cc([O-])ccc2cc1Nc1c(F)cc(F)cc1F ZINC001175147675 1034840452 /nfs/dbraw/zinc/84/04/52/1034840452.db2.gz TUIMBKMZHVQVAN-UHFFFAOYSA-N -1 1 307.227 3.660 20 0 DHADMM CCOc1cccc(Nc2cc3ccc([O-])cc3oc2=O)c1F ZINC001175235944 1034884268 /nfs/dbraw/zinc/88/42/68/1034884268.db2.gz JKBGLBZTXPSALC-UHFFFAOYSA-N -1 1 315.300 3.780 20 0 DHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2cccc(SC)c2)c1 ZINC001175288496 1034901056 /nfs/dbraw/zinc/90/10/56/1034901056.db2.gz LYTLLWJJAKOHPM-UHFFFAOYSA-N -1 1 323.439 3.651 20 0 DHADMM [O-]c1c(Nc2ccc(-c3nn[nH]n3)cc2)ccc(Cl)c1Cl ZINC001175433261 1034983071 /nfs/dbraw/zinc/98/30/71/1034983071.db2.gz UWCZARJDGDQXLM-UHFFFAOYSA-N -1 1 322.155 3.623 20 0 DHADMM O=c1oc2cc([O-])ccc2cc1Nc1ccc2ccncc2c1 ZINC001175701211 1035072789 /nfs/dbraw/zinc/07/27/89/1035072789.db2.gz ILMVNNGDRMGDIC-UHFFFAOYSA-N -1 1 304.305 3.790 20 0 DHADMM [O-]c1cccc(CNc2ccc(N3CCCC3)nc2)c1Cl ZINC000293187549 1035109379 /nfs/dbraw/zinc/10/93/79/1035109379.db2.gz HTOALWKJRYDPFG-UHFFFAOYSA-N -1 1 303.793 3.653 20 0 DHADMM CC(C)(C)[C@H](C(=O)[O-])c1ccc(Nc2ccc3nn[nH]c3c2)cc1 ZINC001176002096 1035181194 /nfs/dbraw/zinc/18/11/94/1035181194.db2.gz HUDGATPECBVDBW-INIZCTEOSA-N -1 1 324.384 3.916 20 0 DHADMM CC(C)(C)[C@H](C(=O)[O-])c1ccc(Nc2ccc3n[nH]nc3c2)cc1 ZINC001176002096 1035181196 /nfs/dbraw/zinc/18/11/96/1035181196.db2.gz HUDGATPECBVDBW-INIZCTEOSA-N -1 1 324.384 3.916 20 0 DHADMM CC[C@]1(CCc2ccccc2)CCCN1C(=O)c1cncc([O-])c1 ZINC001176115661 1035208047 /nfs/dbraw/zinc/20/80/47/1035208047.db2.gz ROUICUZQISACFA-HXUWFJFHSA-N -1 1 324.424 3.805 20 0 DHADMM O=C(OCc1cc(F)cc2cccnc21)c1ccc([O-])cc1F ZINC000773573890 1035256101 /nfs/dbraw/zinc/25/61/01/1035256101.db2.gz PYUUWSCFYBBBBC-UHFFFAOYSA-N -1 1 315.275 3.576 20 0 DHADMM CCc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc([O-])cc2F)cc1 ZINC000773571867 1035257046 /nfs/dbraw/zinc/25/70/46/1035257046.db2.gz UGCAZSAVKFXOCR-LLVKDONJSA-N -1 1 316.328 3.522 20 0 DHADMM Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc([O-])cc2F)cc1C ZINC000773574832 1035257159 /nfs/dbraw/zinc/25/71/59/1035257159.db2.gz HSVKXYPMCJFQMK-LBPRGKRZSA-N -1 1 316.328 3.576 20 0 DHADMM C[C@H]1CCN(C(=O)c2ncc3ccccc3c2[O-])CC12CCC2 ZINC000613222185 1035279289 /nfs/dbraw/zinc/27/92/89/1035279289.db2.gz KJKZEEKYSYMXJT-ZDUSSCGKSA-N -1 1 310.397 3.593 20 0 DHADMM Cn1cc(Nc2ccc(F)c(F)c2[O-])c(-c2ccccc2)n1 ZINC001176569085 1035297932 /nfs/dbraw/zinc/29/79/32/1035297932.db2.gz XICHSHHZYJJIOA-UHFFFAOYSA-N -1 1 301.296 3.815 20 0 DHADMM CCOc1cc(Nc2cc([O-])c(Cl)cc2F)c(F)cn1 ZINC001176603067 1035307932 /nfs/dbraw/zinc/30/79/32/1035307932.db2.gz JPBQPRLTWHLMTC-UHFFFAOYSA-N -1 1 300.692 3.861 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cc(Cl)nnc2Cl)c1F ZINC001176663648 1035309343 /nfs/dbraw/zinc/30/93/43/1035309343.db2.gz JSLIRVFZNGEAQF-UHFFFAOYSA-N -1 1 310.062 3.650 20 0 DHADMM CCn1ncc2cc(Nc3c(F)cc(F)c([O-])c3F)ccc21 ZINC001176671027 1035310183 /nfs/dbraw/zinc/31/01/83/1035310183.db2.gz REASVFGMOHLAGB-UHFFFAOYSA-N -1 1 307.275 3.923 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ncccc2N2CCCC2)c1F ZINC001176669291 1035310815 /nfs/dbraw/zinc/31/08/15/1035310815.db2.gz GOGKHBONEZTSAP-UHFFFAOYSA-N -1 1 309.291 3.548 20 0 DHADMM Cc1cc(Nc2c(F)cc(F)c([O-])c2F)cc2snnc21 ZINC001176673384 1035312028 /nfs/dbraw/zinc/31/20/28/1035312028.db2.gz FKQYWRQEFIURKQ-UHFFFAOYSA-N -1 1 311.288 3.866 20 0 DHADMM CCc1ccccc1[C@H](CC(=O)[O-])NCc1ccncc1Cl ZINC000904033653 1035347519 /nfs/dbraw/zinc/34/75/19/1035347519.db2.gz VHNWZRCRKDKHJN-INIZCTEOSA-N -1 1 318.804 3.603 20 0 DHADMM O=C([O-])[C@@H](NCc1ccc(-c2ccc(Cl)cc2)o1)C1CCC1 ZINC000904050583 1035353516 /nfs/dbraw/zinc/35/35/16/1035353516.db2.gz ZJDHKWGAFYDDKC-INIZCTEOSA-N -1 1 319.788 3.943 20 0 DHADMM CC[C@H](NCc1ccc(C(C)(C)C)s1)c1nc(C(=O)[O-])c[nH]1 ZINC000904064257 1035357260 /nfs/dbraw/zinc/35/72/60/1035357260.db2.gz HCCKBLMUANGIHU-NSHDSACASA-N -1 1 321.446 3.708 20 0 DHADMM CCO[C@@H](c1noc(-c2ccc(OC)cc2[O-])n1)C1CCCC1 ZINC000904143140 1035375383 /nfs/dbraw/zinc/37/53/83/1035375383.db2.gz KXNHYTVBIIMXSP-OAHLLOKOSA-N -1 1 318.373 3.719 20 0 DHADMM [O-]c1ccc(Cc2nc(-c3ccccc3F)no2)cc1Cl ZINC000904777981 1035451618 /nfs/dbraw/zinc/45/16/18/1035451618.db2.gz RTDMFQIPWRDGMI-UHFFFAOYSA-N -1 1 304.708 3.826 20 0 DHADMM CCCNC(=O)c1ccc(NCc2cccc([O-])c2Cl)cc1 ZINC001178901911 1035454513 /nfs/dbraw/zinc/45/45/13/1035454513.db2.gz ZUDCAHJLYJTROA-UHFFFAOYSA-N -1 1 318.804 3.798 20 0 DHADMM C[C@@]1(Cc2cccs2)CCCN1C(=O)c1cccc([O-])c1F ZINC001179564215 1035482962 /nfs/dbraw/zinc/48/29/62/1035482962.db2.gz MCBMTJCOAWJNLP-KRWDZBQOSA-N -1 1 319.401 3.830 20 0 DHADMM C[C@@H](C(=O)Nc1cc(F)c([O-])cc1Cl)c1cccc(O)c1 ZINC001179659834 1035487366 /nfs/dbraw/zinc/48/73/66/1035487366.db2.gz HMQPAKCBOABTJJ-MRVPVSSYSA-N -1 1 309.724 3.633 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1c(F)ccc(F)c1F ZINC001179660022 1035488402 /nfs/dbraw/zinc/48/84/02/1035488402.db2.gz KHIZBQYKMWLFIF-UHFFFAOYSA-N -1 1 319.641 3.854 20 0 DHADMM CCCc1cc(=O)[n-]c(SCCCC(=O)c2ccccc2)n1 ZINC000195550212 1035597296 /nfs/dbraw/zinc/59/72/96/1035597296.db2.gz QPONILNUYGBHER-UHFFFAOYSA-N -1 1 316.426 3.890 20 0 DHADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000195654135 1035631001 /nfs/dbraw/zinc/63/10/01/1035631001.db2.gz SGXIAIXZKOPTDA-UHFFFAOYSA-N -1 1 317.410 3.697 20 0 DHADMM CCC[C@@](C)(NC(=O)c1cccc([O-])c1F)c1ccccc1 ZINC001180681605 1035740915 /nfs/dbraw/zinc/74/09/15/1035740915.db2.gz KDJWWVPSPWSBSJ-GOSISDBHSA-N -1 1 301.361 3.977 20 0 DHADMM CC(C)(C)COC(=O)Nc1ccc([O-])c(Br)c1 ZINC001194383055 1035915053 /nfs/dbraw/zinc/91/50/53/1035915053.db2.gz AGHYJGGAGKHORZ-UHFFFAOYSA-N -1 1 302.168 3.749 20 0 DHADMM CC(=O)c1cccc([N-]S(=O)(=O)c2c(C)cccc2C)c1C ZINC001194642194 1035976136 /nfs/dbraw/zinc/97/61/36/1035976136.db2.gz GDVODRQXHHKANS-UHFFFAOYSA-N -1 1 317.410 3.615 20 0 DHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)N=NC2 ZINC001194641834 1035978063 /nfs/dbraw/zinc/97/80/63/1035978063.db2.gz ARMBPGCESLADAW-UHFFFAOYSA-N -1 1 301.371 3.702 20 0 DHADMM Nc1ccc2cn(-c3cc(Cl)c([O-])cc3F)nc2c1Cl ZINC001250025948 1036035756 /nfs/dbraw/zinc/03/57/56/1036035756.db2.gz KISFUWNZZMBYNV-UHFFFAOYSA-N -1 1 312.131 3.759 20 0 DHADMM CCCN(C(=O)c1ncc(C)cc1[O-])[C@@H]1CCc2ccccc21 ZINC000494835486 1036080305 /nfs/dbraw/zinc/08/03/05/1036080305.db2.gz RXYMXBQEHAJJMC-MRXNPFEDSA-N -1 1 310.397 3.635 20 0 DHADMM Cc1ccc(NC(=O)c2c([O-])cnc3ccc(Cl)cc32)nc1 ZINC001182165729 1036112397 /nfs/dbraw/zinc/11/23/97/1036112397.db2.gz VSISMKTZNBDUTB-UHFFFAOYSA-N -1 1 313.744 3.550 20 0 DHADMM O=C([N-]c1noc2cccnc21)c1cc(Cl)c(Cl)s1 ZINC001195161985 1036164662 /nfs/dbraw/zinc/16/46/62/1036164662.db2.gz CMENDHKUBJRROC-UHFFFAOYSA-N -1 1 314.153 3.843 20 0 DHADMM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(N(C)C)cc1 ZINC001195267964 1036199026 /nfs/dbraw/zinc/19/90/26/1036199026.db2.gz MRGXQCUHIUFQJR-UHFFFAOYSA-N -1 1 324.833 3.515 20 0 DHADMM Cc1c(C)c(NC(=O)c2cc([O-])cnc2Cl)c(C)c(C)c1N ZINC001195305480 1036214587 /nfs/dbraw/zinc/21/45/87/1036214587.db2.gz FKKZXHFMGACMCS-UHFFFAOYSA-N -1 1 319.792 3.509 20 0 DHADMM O=C(Nc1ccc(F)c2ccccc12)c1cc([O-])cnc1Cl ZINC001195306799 1036215078 /nfs/dbraw/zinc/21/50/78/1036215078.db2.gz XMSVUVXYTWZHOB-UHFFFAOYSA-N -1 1 316.719 3.985 20 0 DHADMM CC[C@H](C)C1CCC(NC(=O)c2cc([O-])cnc2Cl)CC1 ZINC001195315197 1036221047 /nfs/dbraw/zinc/22/10/47/1036221047.db2.gz NBFOOLMZEWLLBH-UNXYVOJBSA-N -1 1 310.825 3.775 20 0 DHADMM CCCC(=O)c1ccc([O-])cc1O[C@H]1CC(F)(F)C1(F)F ZINC001233650108 1036231709 /nfs/dbraw/zinc/23/17/09/1036231709.db2.gz HMQQPJZCSFKOAD-LBPRGKRZSA-N -1 1 306.255 3.797 20 0 DHADMM Cc1ccc2cccc([N-]S(=O)(=O)c3ccc(O)cc3)c2c1 ZINC001195803275 1036354466 /nfs/dbraw/zinc/35/44/66/1036354466.db2.gz XCEWFXRJPLGBJT-UHFFFAOYSA-N -1 1 313.378 3.655 20 0 DHADMM O=C(Nc1cccc(C2CCC2)c1)c1cnc(C2CC2)[n-]c1=O ZINC000908317938 1036379426 /nfs/dbraw/zinc/37/94/26/1036379426.db2.gz DVWLUCFQPCSELM-UHFFFAOYSA-N -1 1 309.369 3.579 20 0 DHADMM COc1cc(C(=O)N[C@@H](C)c2ccsc2)cc(Cl)c1[O-] ZINC000669918864 1036461735 /nfs/dbraw/zinc/46/17/35/1036461735.db2.gz MVTLZAAVLCAFDH-QMMMGPOBSA-N -1 1 311.790 3.607 20 0 DHADMM C[C@H]1CCC[C@@]1(C)C(=O)Nc1cccc([O-])c1Br ZINC000908707894 1036487009 /nfs/dbraw/zinc/48/70/09/1036487009.db2.gz ODKVTDLXFAMAMP-LKFCYVNXSA-N -1 1 312.207 3.920 20 0 DHADMM C[C@H]1CC[C@H](C(=O)Nc2cccc([O-])c2Br)CC1 ZINC000908707874 1036487425 /nfs/dbraw/zinc/48/74/25/1036487425.db2.gz NHCQHZFYIKNHEU-MGCOHNPYSA-N -1 1 312.207 3.920 20 0 DHADMM C[C@@H]1CC[C@@H](CC(=O)Nc2cccc([O-])c2Br)C1 ZINC000908709300 1036488669 /nfs/dbraw/zinc/48/86/69/1036488669.db2.gz NNFPZCACRYTZDI-NXEZZACHSA-N -1 1 312.207 3.920 20 0 DHADMM CCC[C@@H](C)CC(=O)Nc1cccc([O-])c1Br ZINC000908716312 1036492773 /nfs/dbraw/zinc/49/27/73/1036492773.db2.gz JLXLFYYKMINREI-SECBINFHSA-N -1 1 300.196 3.920 20 0 DHADMM C[C@H](CC(=O)[N-]OCC(F)F)c1cccc(C(F)(F)F)c1 ZINC000759350869 1036533186 /nfs/dbraw/zinc/53/31/86/1036533186.db2.gz ILFTTYFHIIICCC-MRVPVSSYSA-N -1 1 311.250 3.512 20 0 DHADMM C[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)OCC(F)(F)F)c2ccccc21 ZINC001183194560 1036540844 /nfs/dbraw/zinc/54/08/44/1036540844.db2.gz JYXLIKUWJFYXCX-LDYMZIIASA-N -1 1 323.261 3.523 20 0 DHADMM Cc1nc(-c2nc3c([n-]2)c(F)c(F)c(F)c3F)sc1C ZINC001251002359 1036562526 /nfs/dbraw/zinc/56/25/26/1036562526.db2.gz KLDCYGRXJHZNAP-UHFFFAOYSA-N -1 1 301.268 3.860 20 0 DHADMM Cc1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc2n[nH]cc21 ZINC000487207988 1036595083 /nfs/dbraw/zinc/59/50/83/1036595083.db2.gz TXLJLHATGZQDKL-UHFFFAOYSA-N -1 1 316.748 3.874 20 0 DHADMM CC(C)CCC[C@H](C)[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC001184532920 1036867241 /nfs/dbraw/zinc/86/72/41/1036867241.db2.gz BCMQANPWODKERM-ZDUSSCGKSA-N -1 1 309.431 3.926 20 0 DHADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000910981887 1037019307 /nfs/dbraw/zinc/01/93/07/1037019307.db2.gz SUMJLKWBNOEOPK-SFYZADRCSA-N -1 1 323.261 3.978 20 0 DHADMM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccsc2)c(C)c1 ZINC001185383860 1037120515 /nfs/dbraw/zinc/12/05/15/1037120515.db2.gz JURVZTWNSVORPA-UHFFFAOYSA-N -1 1 324.471 3.704 20 0 DHADMM O=S(=O)([N-]c1ccc2cccnc2c1)c1ccc2occc2c1 ZINC001198855299 1037146201 /nfs/dbraw/zinc/14/62/01/1037146201.db2.gz JLIRKZSPQDIKLV-UHFFFAOYSA-N -1 1 324.361 3.782 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2C)ccc1Cl ZINC001185485578 1037157988 /nfs/dbraw/zinc/15/79/88/1037157988.db2.gz UZBZKOJEDZSILF-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM COc1c(C)ccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)c1C ZINC000176685159 1037158834 /nfs/dbraw/zinc/15/88/34/1037158834.db2.gz VPTIUGROWYWSMT-UHFFFAOYSA-N -1 1 323.389 3.560 20 0 DHADMM COc1ccc(C(=O)N2CC(C)(C)Cc3ccccc32)c([O-])c1 ZINC000646756231 1037220864 /nfs/dbraw/zinc/22/08/64/1037220864.db2.gz HLVJFASOIAVVGC-UHFFFAOYSA-N -1 1 311.381 3.630 20 0 DHADMM O=S(=O)([N-]c1ccc2[nH]ccc2c1)c1cccc(Cl)c1 ZINC000074842343 1037292316 /nfs/dbraw/zinc/29/23/16/1037292316.db2.gz KORYCLVRFIMINM-UHFFFAOYSA-N -1 1 306.774 3.622 20 0 DHADMM O=C(Nc1cc(F)cc(F)c1[O-])Nc1c(F)cc(F)cc1F ZINC001186063899 1037310093 /nfs/dbraw/zinc/31/00/93/1037310093.db2.gz MPIAFRDXWULSTB-UHFFFAOYSA-N -1 1 318.201 3.732 20 0 DHADMM [O-]c1ccc(F)c(Nc2cnc3ccc(Cl)nn23)c1Cl ZINC001250228632 1037317227 /nfs/dbraw/zinc/31/72/27/1037317227.db2.gz HTFKNIKDJNRJPU-UHFFFAOYSA-N -1 1 313.119 3.624 20 0 DHADMM CCC(CC)[C@@H](C)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000761498862 1037330288 /nfs/dbraw/zinc/33/02/88/1037330288.db2.gz SOYLUVBLOUALTQ-GFCCVEGCSA-N -1 1 306.402 3.753 20 0 DHADMM CCCc1nc2ccc(NC(=O)c3ccc([O-])c(F)c3)cc2o1 ZINC001186226952 1037337828 /nfs/dbraw/zinc/33/78/28/1037337828.db2.gz VRPQKYHLRZDQBC-UHFFFAOYSA-N -1 1 314.316 3.877 20 0 DHADMM Cc1c(C)c(NC(=O)c2ccc([O-])c(F)c2)c(C)c(C)c1N ZINC001186225417 1037339276 /nfs/dbraw/zinc/33/92/76/1037339276.db2.gz CMHUWIAZRJFHTG-UHFFFAOYSA-N -1 1 302.349 3.599 20 0 DHADMM O=C(Nc1ncccc1-c1ccccc1)c1ccc([O-])c(F)c1 ZINC001186209178 1037344544 /nfs/dbraw/zinc/34/45/44/1037344544.db2.gz PNITVWSVAXYIBQ-UHFFFAOYSA-N -1 1 308.312 3.846 20 0 DHADMM O=S(=O)([N-]c1cc(O)ccc1F)c1csc2ccccc21 ZINC001186495268 1037420477 /nfs/dbraw/zinc/42/04/77/1037420477.db2.gz FWRAYRYOIZYSJC-UHFFFAOYSA-N -1 1 323.370 3.547 20 0 DHADMM CC[C@H](C(=O)Nc1nc(Cl)ccc1[O-])c1ccc(F)cc1 ZINC000763200874 1037461917 /nfs/dbraw/zinc/46/19/17/1037461917.db2.gz ZZOXXXLMNDAKFD-NSHDSACASA-N -1 1 308.740 3.712 20 0 DHADMM O=C(Nc1cc(F)c(F)cc1[O-])NC12CC3CC(CC(C3)C1)C2 ZINC001186687520 1037467471 /nfs/dbraw/zinc/46/74/71/1037467471.db2.gz ZWTJNZZKQHUJAO-UHFFFAOYSA-N -1 1 322.355 3.761 20 0 DHADMM [O-]c1cc(F)c(NC(=S)Nc2ccc(F)cc2F)cc1F ZINC001200933482 1037469117 /nfs/dbraw/zinc/46/91/17/1037469117.db2.gz USDYEEYBZODFPY-UHFFFAOYSA-N -1 1 316.279 3.758 20 0 DHADMM CC(C)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)C1 ZINC001186696710 1037470432 /nfs/dbraw/zinc/47/04/32/1037470432.db2.gz JTNBRZFCSKTFDL-QWRGUYRKSA-N -1 1 321.389 3.710 20 0 DHADMM CCCCC[C@@H]1CCCCN1C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000912716659 1037518694 /nfs/dbraw/zinc/51/86/94/1037518694.db2.gz KGOURQBKUKATCD-CQSZACIVSA-N -1 1 317.433 3.635 20 0 DHADMM O=S(=O)(Cc1cc(Cl)cc(Cl)c1)[N-]c1cccs1 ZINC001187036830 1037562477 /nfs/dbraw/zinc/56/24/77/1037562477.db2.gz YGESWWTVYHMCFK-UHFFFAOYSA-N -1 1 322.238 3.997 20 0 DHADMM Cc1nc(C2CCC2)sc1CC(=O)Nc1cccc(F)c1[O-] ZINC000913159426 1037738549 /nfs/dbraw/zinc/73/85/49/1037738549.db2.gz RFRAPLJFWKZNEN-UHFFFAOYSA-N -1 1 320.389 3.745 20 0 DHADMM O=C(OCc1ccc(F)cc1Cl)c1cc(-c2ccco2)n[nH]1 ZINC000913298403 1037792554 /nfs/dbraw/zinc/79/25/54/1037792554.db2.gz KDSPPTMEXWOSLL-UHFFFAOYSA-N -1 1 320.707 3.819 20 0 DHADMM C[C@]12CCCC[C@H]1CN2C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000913336568 1037808213 /nfs/dbraw/zinc/80/82/13/1037808213.db2.gz NWXMQYFBEVZBIV-DJJJIMSYSA-N -1 1 311.381 3.656 20 0 DHADMM O=S(=O)([N-]c1cccc(Cl)c1C(F)(F)F)C1CCC1 ZINC001188139796 1037825428 /nfs/dbraw/zinc/82/54/28/1037825428.db2.gz YICIBRFSXFDHOD-UHFFFAOYSA-N -1 1 313.728 3.653 20 0 DHADMM CCCC1(C[N-]S(=O)(=O)c2cc3ccccc3o2)CCC1 ZINC001188166033 1037832190 /nfs/dbraw/zinc/83/21/90/1037832190.db2.gz YGJVNIIRTWGKOI-UHFFFAOYSA-N -1 1 307.415 3.682 20 0 DHADMM [O-]c1c(Br)ccc(Cl)c1Nc1cncc(O)c1 ZINC001201648032 1037833167 /nfs/dbraw/zinc/83/31/67/1037833167.db2.gz GXVMFPQSYFUTHB-UHFFFAOYSA-N -1 1 315.554 3.652 20 0 DHADMM CCC1(C[N-]S(=O)(=O)c2cc3ccccc3o2)CCCC1 ZINC001188223553 1037852252 /nfs/dbraw/zinc/85/22/52/1037852252.db2.gz ZJFQONZYPDBGOP-UHFFFAOYSA-N -1 1 307.415 3.682 20 0 DHADMM O=C(Nc1cccc2cc(O)ccc21)c1ncc(C(F)(F)F)[n-]1 ZINC001188288889 1037855961 /nfs/dbraw/zinc/85/59/61/1037855961.db2.gz OLBQFUJDZMBEQH-UHFFFAOYSA-N -1 1 321.258 3.540 20 0 DHADMM O=C(Nc1cccc2cc(O)ccc21)c1nc(C(F)(F)F)c[n-]1 ZINC001188288889 1037855980 /nfs/dbraw/zinc/85/59/80/1037855980.db2.gz OLBQFUJDZMBEQH-UHFFFAOYSA-N -1 1 321.258 3.540 20 0 DHADMM C[C@H](COc1ccccc1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000125212837 1037924808 /nfs/dbraw/zinc/92/48/08/1037924808.db2.gz PXKFBAJVDMVREI-LLVKDONJSA-N -1 1 305.761 3.699 20 0 DHADMM CSc1nc(NC(=O)Nc2cc(Cl)ccc2C)cc(=O)[n-]1 ZINC001188703708 1037959702 /nfs/dbraw/zinc/95/97/02/1037959702.db2.gz YKBLAWANMZBXMI-UHFFFAOYSA-N -1 1 324.793 3.510 20 0 DHADMM O=C(Nc1cc(F)c(F)cc1[O-])Nc1c(F)cccc1F ZINC001202043695 1037986700 /nfs/dbraw/zinc/98/67/00/1037986700.db2.gz WFVHPBXCHPVNJB-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM O=C(Nc1nccs1)Nc1cccc(C(F)(F)F)c1[O-] ZINC001189385425 1038139557 /nfs/dbraw/zinc/13/95/57/1038139557.db2.gz JIWXUPLVFRZSOY-UHFFFAOYSA-N -1 1 303.265 3.512 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])c1ccc(SC(F)(F)F)o1 ZINC001151779813 1038178810 /nfs/dbraw/zinc/17/88/10/1038178810.db2.gz NITKSOOIBHCCAY-UHFFFAOYSA-N -1 1 321.251 3.989 20 0 DHADMM CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc(Br)cc1[O-] ZINC000127574971 1038198265 /nfs/dbraw/zinc/19/82/65/1038198265.db2.gz MYNBBRAJIJNLOE-KOLCDFICSA-N -1 1 312.207 3.558 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1cccc2nsnc21 ZINC001190304041 1038290529 /nfs/dbraw/zinc/29/05/29/1038290529.db2.gz WSFXKQBKFKEGPD-UHFFFAOYSA-N -1 1 320.761 3.694 20 0 DHADMM COc1cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)ccc1C ZINC001190499558 1038325770 /nfs/dbraw/zinc/32/57/70/1038325770.db2.gz CQHBULSVTSQFSD-UHFFFAOYSA-N -1 1 317.410 3.682 20 0 DHADMM O=S(=O)([N-]c1ccc2ccncc2c1)c1ccc(C2CC2)cc1 ZINC001190500392 1038327819 /nfs/dbraw/zinc/32/78/19/1038327819.db2.gz MLOGIZWCWZRBLX-UHFFFAOYSA-N -1 1 324.405 3.913 20 0 DHADMM CC(C)(CNC(=O)c1c(F)ccc([O-])c1F)C1=CCCCC1 ZINC000572295091 1038356998 /nfs/dbraw/zinc/35/69/98/1038356998.db2.gz UDUYHMTZBYUVAO-UHFFFAOYSA-N -1 1 309.356 3.927 20 0 DHADMM Cc1cc(C(C)(C)C)cc(C)c1[N-]S(=O)(=O)c1ccncc1 ZINC001190894278 1038401923 /nfs/dbraw/zinc/40/19/23/1038401923.db2.gz ZCVRSKVNRYNMOY-UHFFFAOYSA-N -1 1 318.442 3.797 20 0 DHADMM CCCCc1ccc(S(=O)(=O)[N-]c2cc(C)cc(O)c2)cc1 ZINC001191253869 1038467960 /nfs/dbraw/zinc/46/79/60/1038467960.db2.gz QRYOHMKDAAYYQG-UHFFFAOYSA-N -1 1 319.426 3.844 20 0 DHADMM CCCCc1ccc(S(=O)(=O)[N-]c2cnc(F)c(C)c2)cc1 ZINC001191233805 1038473618 /nfs/dbraw/zinc/47/36/18/1038473618.db2.gz RXZKIGAIGVOUSM-UHFFFAOYSA-N -1 1 322.405 3.673 20 0 DHADMM COc1cccc(C=C2SC(=S)[N-]C2=O)c1OC(C)C ZINC000056667978 1038479028 /nfs/dbraw/zinc/47/90/28/1038479028.db2.gz UGASACXTWZFIBB-YRNVUSSQSA-N -1 1 309.412 3.812 20 0 DHADMM O=C(c1ccc(Br)cc1[O-])N1CCCC2(CC2)CC1 ZINC000629644689 1038566321 /nfs/dbraw/zinc/56/63/21/1038566321.db2.gz ITEONKCCHQTABB-UHFFFAOYSA-N -1 1 324.218 3.561 20 0 DHADMM CC(C)C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccccn1 ZINC001192551043 1038671656 /nfs/dbraw/zinc/67/16/56/1038671656.db2.gz AWCSBIOLWUVNQR-CYBMUJFWSA-N -1 1 320.339 3.583 20 0 DHADMM Cc1cc(Cl)c(NC(=O)c2cc([O-])cc(F)c2F)cc1O ZINC001192670746 1038689706 /nfs/dbraw/zinc/68/97/06/1038689706.db2.gz MLTIFNRFCKALHZ-UHFFFAOYSA-N -1 1 313.687 3.590 20 0 DHADMM CC(C)(C)c1ccc(CNC(=O)c2cc([O-])cc(F)c2F)cc1 ZINC001192679017 1038690090 /nfs/dbraw/zinc/69/00/90/1038690090.db2.gz OADHOKNRHVUJSA-UHFFFAOYSA-N -1 1 319.351 3.898 20 0 DHADMM COc1cc(-c2nc3cccc(F)c3c(=O)[n-]2)cc(Cl)c1O ZINC000591726971 1038968720 /nfs/dbraw/zinc/96/87/20/1038968720.db2.gz SUGPKZLHTZTQFX-UHFFFAOYSA-N -1 1 320.707 3.509 20 0 DHADMM O=C(Nc1cccc(SC(F)F)c1)c1ccc(O)cc1[O-] ZINC000171321352 1039436781 /nfs/dbraw/zinc/43/67/81/1039436781.db2.gz BOIWMAFBENCTNY-UHFFFAOYSA-N -1 1 311.309 3.665 20 0 DHADMM Cc1cc(Nc2ccc(F)c(Br)c2[O-])cnc1F ZINC001212190603 1039664022 /nfs/dbraw/zinc/66/40/22/1039664022.db2.gz IJWKIXMCPVGMMP-UHFFFAOYSA-N -1 1 315.117 3.880 20 0 DHADMM Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2c([O-])cccc2F)c1 ZINC000605435384 1039681183 /nfs/dbraw/zinc/68/11/83/1039681183.db2.gz FOSLWIUMXBWDSM-SNVBAGLBSA-N -1 1 323.751 3.899 20 0 DHADMM CC(C)(C)c1ccccc1OCC(=O)Nc1c([O-])cccc1F ZINC000605438423 1039682283 /nfs/dbraw/zinc/68/22/83/1039682283.db2.gz SZUCSRKTBAGJTG-UHFFFAOYSA-N -1 1 317.360 3.846 20 0 DHADMM C[C@H]1c2ccc(F)cc2CCN1C(=O)c1cc(Cl)ccc1[O-] ZINC000606319073 1039827086 /nfs/dbraw/zinc/82/70/86/1039827086.db2.gz ZSDKMBCVRPGYQU-JTQLQIEISA-N -1 1 319.763 3.944 20 0 DHADMM C[C@H]1C[C@H](C)CN(Cc2cc(F)c([O-])c(Br)c2)C1 ZINC001232634396 1039921410 /nfs/dbraw/zinc/92/14/10/1039921410.db2.gz GOSQKMOZOPFZSZ-UWVGGRQHSA-N -1 1 316.214 3.772 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)cc1C ZINC000607331554 1040142595 /nfs/dbraw/zinc/14/25/95/1040142595.db2.gz PGDKPUIOWXIEKW-UHFFFAOYSA-N -1 1 315.316 3.522 20 0 DHADMM Cc1cc(OCC(=O)Nc2c([O-])cccc2F)ccc1C(C)C ZINC000608365985 1040474234 /nfs/dbraw/zinc/47/42/34/1040474234.db2.gz XVMNMGIPEFVNBC-UHFFFAOYSA-N -1 1 317.360 3.981 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1cccc(-c2cscn2)c1 ZINC000608367428 1040474402 /nfs/dbraw/zinc/47/44/02/1040474402.db2.gz QQXUJRPWHWOGNJ-UHFFFAOYSA-N -1 1 314.341 3.907 20 0 DHADMM C[C@H](CCc1cccc(F)c1)C(=O)Nc1c([O-])cccc1F ZINC000608366880 1040474897 /nfs/dbraw/zinc/47/48/97/1040474897.db2.gz PLPUZDMLTUODRV-LLVKDONJSA-N -1 1 305.324 3.878 20 0 DHADMM CC[C@@H]1CCC[C@@H]1CNC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000456053112 1040694929 /nfs/dbraw/zinc/69/49/29/1040694929.db2.gz XYVAQCMAKVEJDU-GHMZBOCLSA-N -1 1 311.809 3.610 20 0 DHADMM C[C@@](Cc1ccccc1)(NC(=O)c1ccc([O-])cc1F)C1CC1 ZINC000457053551 1041010134 /nfs/dbraw/zinc/01/01/34/1041010134.db2.gz USRVLPUTLVMWIQ-IBGZPJMESA-N -1 1 313.372 3.673 20 0 DHADMM CCc1cc(=O)[n-]c(SCc2csc(C3CCCC3)n2)n1 ZINC000188112440 200196260 /nfs/dbraw/zinc/19/62/60/200196260.db2.gz JPYFYROJYHLSJS-UHFFFAOYSA-N -1 1 321.471 3.739 20 0 DHADMM CCOc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C)cc(Cl)c1[O-] ZINC000192736339 335036179 /nfs/dbraw/zinc/03/61/79/335036179.db2.gz SLRFBKJYTBBWAA-GXFFZTMASA-N -1 1 311.809 3.753 20 0 DHADMM COc1cc(C(=O)N2CCC[C@H]2CC(C)C)cc(Cl)c1[O-] ZINC000442937192 338439863 /nfs/dbraw/zinc/43/98/63/338439863.db2.gz BLPJLNCSYPTCKN-LBPRGKRZSA-N -1 1 311.809 3.705 20 0 DHADMM CCOc1cc(C(=O)N2C[C@H](C)CC2(C)C)cc(Cl)c1[O-] ZINC000273802327 130169174 /nfs/dbraw/zinc/16/91/74/130169174.db2.gz BAILJSADRINTCV-SNVBAGLBSA-N -1 1 311.809 3.705 20 0 DHADMM CCCOc1ccc([N-]S(=O)(=O)c2ccsc2)c(C)c1 ZINC000285267140 131152788 /nfs/dbraw/zinc/15/27/88/131152788.db2.gz XXGKPDXCVYAAQW-UHFFFAOYSA-N -1 1 311.428 3.646 20 0 DHADMM C[C@@H]1C(=O)CC[C@H](c2nc(-c3ccc([O-])c(F)c3)no2)C1(C)C ZINC000288941530 131346447 /nfs/dbraw/zinc/34/64/47/131346447.db2.gz BBQRWXATVIKASP-MWLCHTKSSA-N -1 1 318.348 3.690 20 0 DHADMM CCOc1cc(-c2noc([C@H](OC)C3CC3)n2)cc(Cl)c1[O-] ZINC000289024476 131352649 /nfs/dbraw/zinc/35/26/49/131352649.db2.gz FRZSMFSOCODJRE-CYBMUJFWSA-N -1 1 324.764 3.592 20 0 DHADMM CCN(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-])C(C)C ZINC000179452972 331523928 /nfs/dbraw/zinc/52/39/28/331523928.db2.gz UAIXAIKHRXMYGO-UHFFFAOYSA-N -1 1 322.405 3.610 20 0 DHADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@@H]2CCC[C@H]21 ZINC000087777683 331795893 /nfs/dbraw/zinc/79/58/93/331795893.db2.gz WTZYQWDRGSTSRE-GXFFZTMASA-N -1 1 324.218 3.559 20 0 DHADMM C/C=C/c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000558047660 331844008 /nfs/dbraw/zinc/84/40/08/331844008.db2.gz MTBNUUCEDLEKFU-ONEGZZNKSA-N -1 1 315.394 3.723 20 0 DHADMM C/C=C\c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000558047659 331844119 /nfs/dbraw/zinc/84/41/19/331844119.db2.gz MTBNUUCEDLEKFU-ARJAWSKDSA-N -1 1 315.394 3.723 20 0 DHADMM C[C@H]1CCN(C(=O)c2cc(F)ccc2[O-])[C@H](c2ccco2)C1 ZINC000091990860 332099731 /nfs/dbraw/zinc/09/97/31/332099731.db2.gz JIHLFAAKDQOSOK-FZMZJTMJSA-N -1 1 303.333 3.738 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccn3)cc2)cc1 ZINC000569538261 332129570 /nfs/dbraw/zinc/12/95/70/332129570.db2.gz XQIJESFXHMQVTN-UHFFFAOYSA-N -1 1 324.405 3.858 20 0 DHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2ccc(OC(C)C)cc2)o1 ZINC000426795663 332154545 /nfs/dbraw/zinc/15/45/45/332154545.db2.gz YINKKCGDRZDVMC-INIZCTEOSA-N -1 1 317.385 3.681 20 0 DHADMM CCc1ccc([C@@H](NCc2ccc(F)cc2Cl)C(=O)[O-])cc1 ZINC000426815591 332157246 /nfs/dbraw/zinc/15/72/46/332157246.db2.gz GGWVHTQNRKMBON-MRXNPFEDSA-N -1 1 321.779 3.957 20 0 DHADMM O=C([O-])[C@@H](NCc1cccc(Cl)c1F)c1cccc(F)c1 ZINC000426818905 332157698 /nfs/dbraw/zinc/15/76/98/332157698.db2.gz GRYJZIODXPMKPL-AWEZNQCLSA-N -1 1 311.715 3.534 20 0 DHADMM Cc1ccc(C(=O)CSc2nc(C(F)F)cc(=O)[n-]2)c(C)c1 ZINC000574085279 332317189 /nfs/dbraw/zinc/31/71/89/332317189.db2.gz ZVIBCGAPRBKZMX-UHFFFAOYSA-N -1 1 324.352 3.712 20 0 DHADMM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1ncc(C)cc1[O-] ZINC000427774136 332513309 /nfs/dbraw/zinc/51/33/09/332513309.db2.gz BCVZJLCMSJUYOY-MRXNPFEDSA-N -1 1 312.413 3.579 20 0 DHADMM O=C([O-])[C@H](NCc1ccc(F)cc1F)c1cccc(Cl)c1 ZINC000562343951 332581832 /nfs/dbraw/zinc/58/18/32/332581832.db2.gz CJKLMXPUIPRPEL-CQSZACIVSA-N -1 1 311.715 3.534 20 0 DHADMM CCN(CC(C)(C)C)C(=O)c1ccc(Br)cc1[O-] ZINC000381396084 332648223 /nfs/dbraw/zinc/64/82/23/332648223.db2.gz VTZJCWXQEJLXDO-UHFFFAOYSA-N -1 1 314.223 3.663 20 0 DHADMM O=c1cc(C(F)F)nc(SCc2ccc3c(c2)CCC3)[n-]1 ZINC000570487401 332761451 /nfs/dbraw/zinc/76/14/51/332761451.db2.gz AOZVLHHBROJTMW-UHFFFAOYSA-N -1 1 308.353 3.901 20 0 DHADMM CCOc1ccc(CN(C)[C@@H](C)c2cc(C)c(C(=O)[O-])o2)cc1 ZINC000580201794 333002440 /nfs/dbraw/zinc/00/24/40/333002440.db2.gz FGBFZQHSMSSNHO-ZDUSSCGKSA-N -1 1 317.385 3.878 20 0 DHADMM CCC[C@@H](C(=O)[O-])N1CCC[C@H]1c1nc2ccccc2s1 ZINC000580206227 333006728 /nfs/dbraw/zinc/00/67/28/333006728.db2.gz WBMIDVJGQNEPSQ-STQMWFEESA-N -1 1 304.415 3.687 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@@H]2CCC[C@@H]21 ZINC000180600118 333029042 /nfs/dbraw/zinc/02/90/42/333029042.db2.gz CJBAWDCWDJITNB-GWCFXTLKSA-N -1 1 313.319 3.816 20 0 DHADMM O=C(Nc1ccc2oc(C3CC3)nc2c1)c1ccc([O-])cc1F ZINC000181121849 333029251 /nfs/dbraw/zinc/02/92/51/333029251.db2.gz HTNZGGQGORXGEQ-UHFFFAOYSA-N -1 1 312.300 3.802 20 0 DHADMM O=C(N[C@@H]1CCSc2ccc(F)cc21)c1ccc([O-])cc1F ZINC000181067065 333029415 /nfs/dbraw/zinc/02/94/15/333029415.db2.gz VXPUMTGWNIAOCI-CQSZACIVSA-N -1 1 321.348 3.637 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCc2c1cccc2F ZINC000183718692 333061577 /nfs/dbraw/zinc/06/15/77/333061577.db2.gz OXMBMZMBBLFUIN-UHFFFAOYSA-N -1 1 307.324 3.887 20 0 DHADMM COc1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1F ZINC000319488768 333308434 /nfs/dbraw/zinc/30/84/34/333308434.db2.gz DAULAPZUACVRHK-UHFFFAOYSA-N -1 1 311.312 3.945 20 0 DHADMM C[C@@H](c1ccco1)N(C)C(=O)c1cc(Br)ccc1[O-] ZINC000123961698 333339270 /nfs/dbraw/zinc/33/92/70/333339270.db2.gz HPJKTMYMGWVKSC-VIFPVBQESA-N -1 1 324.174 3.581 20 0 DHADMM COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)c([O-])c1 ZINC000020546517 333362443 /nfs/dbraw/zinc/36/24/43/333362443.db2.gz CJZDDGSHYMEGGZ-UHFFFAOYSA-N -1 1 312.152 3.960 20 0 DHADMM Cc1csc2[nH]c(C=Cc3ccc([O-])c(Cl)c3)nc(=O)c12 ZINC000185026153 333368812 /nfs/dbraw/zinc/36/88/12/333368812.db2.gz IBFMYRHVWQKHFT-HWKANZROSA-N -1 1 318.785 3.822 20 0 DHADMM Cc1ccc(SC[C@H](C)NC(=O)c2ccc([O-])cc2F)cc1 ZINC000186701404 333376676 /nfs/dbraw/zinc/37/66/76/333376676.db2.gz LAQHRXTUWRKSSU-LBPRGKRZSA-N -1 1 319.401 3.750 20 0 DHADMM CN(CC1(c2ccccc2)CC1)C(=O)c1ccc(Cl)cc1[O-] ZINC000186763359 333377690 /nfs/dbraw/zinc/37/76/90/333377690.db2.gz AQQLEINXBRXXQG-UHFFFAOYSA-N -1 1 315.800 3.849 20 0 DHADMM Cc1cnc(SCc2csc(C3CCCC3)n2)[n-]c1=O ZINC000580347146 335138940 /nfs/dbraw/zinc/13/89/40/335138940.db2.gz MWYJKHYMOMCQTH-UHFFFAOYSA-N -1 1 307.444 3.897 20 0 DHADMM COc1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1F ZINC000319883855 333415624 /nfs/dbraw/zinc/41/56/24/333415624.db2.gz UXXBRLVLKIJOAZ-UHFFFAOYSA-N -1 1 311.312 3.945 20 0 DHADMM CC[C@@H](C)CN(C)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000338387378 333486320 /nfs/dbraw/zinc/48/63/20/333486320.db2.gz SGASQMNQIIHQHJ-SNVBAGLBSA-N -1 1 306.793 3.712 20 0 DHADMM Cc1ccc(S[C@H](C)C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000531756301 333551610 /nfs/dbraw/zinc/55/16/10/333551610.db2.gz JQDAOFGVHCQOLL-LLVKDONJSA-N -1 1 305.374 3.959 20 0 DHADMM O=S(=O)([N-]c1cccc(O)c1F)c1csc2ccccc21 ZINC000563611815 333637164 /nfs/dbraw/zinc/63/71/64/333637164.db2.gz JERDIJPNPDJKHT-UHFFFAOYSA-N -1 1 323.370 3.547 20 0 DHADMM O=C([O-])[C@@H](NCc1cccc(F)c1F)c1cccc(Cl)c1 ZINC000571592659 333819216 /nfs/dbraw/zinc/81/92/16/333819216.db2.gz KVNOTTDJBJVOFU-AWEZNQCLSA-N -1 1 311.715 3.534 20 0 DHADMM CCSc1cccc(CNC(=O)c2ccc([O-])cc2F)c1 ZINC000436705538 333989344 /nfs/dbraw/zinc/98/93/44/333989344.db2.gz PCJBNQOJUVKSSG-UHFFFAOYSA-N -1 1 305.374 3.573 20 0 DHADMM CC[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000436753882 333996917 /nfs/dbraw/zinc/99/69/17/333996917.db2.gz WGBHHNDFOOYJKS-SNVBAGLBSA-N -1 1 301.308 3.673 20 0 DHADMM CCc1ccc([C@H]2CCN(C(=O)c3ccc([O-])cc3F)C2)cc1 ZINC000436854483 334008840 /nfs/dbraw/zinc/00/88/40/334008840.db2.gz SMRKLUZJDRNJBN-HNNXBMFYSA-N -1 1 313.372 3.723 20 0 DHADMM CC[C@@H](C)N(CC(=O)[O-])Cc1cnc(-c2ccsc2)s1 ZINC000414678752 334067457 /nfs/dbraw/zinc/06/74/57/334067457.db2.gz JQONIHPPQMHUJD-SNVBAGLBSA-N -1 1 310.444 3.557 20 0 DHADMM CC[C@H](C)N(CC(=O)[O-])Cc1ccc(-c2ccccc2F)o1 ZINC000414684709 334068703 /nfs/dbraw/zinc/06/87/03/334068703.db2.gz RMEBFIFIXCNHCX-LBPRGKRZSA-N -1 1 305.349 3.771 20 0 DHADMM CC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000048659598 334294718 /nfs/dbraw/zinc/29/47/18/334294718.db2.gz WWDCCUCQHAJLQS-LURJTMIESA-N -1 1 316.637 3.724 20 0 DHADMM O=C([N-]c1ccccc1SC1CCCC1)c1csnn1 ZINC000048699353 334297298 /nfs/dbraw/zinc/29/72/98/334297298.db2.gz XQJWFCFYRZHRHW-UHFFFAOYSA-N -1 1 305.428 3.825 20 0 DHADMM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc(C(F)F)cc1 ZINC000340779758 334385305 /nfs/dbraw/zinc/38/53/05/334385305.db2.gz LITUTALLCOOGTD-UHFFFAOYSA-N -1 1 319.279 3.703 20 0 DHADMM CC[C@H](C)c1ccc([C@H](NCc2n[nH]c(=O)[n-]2)C(C)C)cc1 ZINC000340923862 334393977 /nfs/dbraw/zinc/39/39/77/334393977.db2.gz YRWZGXWXFSYYPQ-BLLLJJGKSA-N -1 1 302.422 3.511 20 0 DHADMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000188279485 334672169 /nfs/dbraw/zinc/67/21/69/334672169.db2.gz ZNGDLCTZIUWCGR-UHFFFAOYSA-N -1 1 311.403 3.657 20 0 DHADMM COc1cc(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc(Cl)c1[O-] ZINC000334005402 334867584 /nfs/dbraw/zinc/86/75/84/334867584.db2.gz XZUXWMQWHFOIRH-GIPNMCIBSA-N -1 1 311.809 3.609 20 0 DHADMM CC1(C)CN(C(=O)c2ccc3ccccc3c2[O-])CC(C)(C)O1 ZINC000189650104 334905464 /nfs/dbraw/zinc/90/54/64/334905464.db2.gz QUTJFVUIZOHRJM-UHFFFAOYSA-N -1 1 313.397 3.575 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1cnc2c(F)ccc(F)c2c1 ZINC000343884107 335199736 /nfs/dbraw/zinc/19/97/36/335199736.db2.gz CJYVGDKZFHDZBA-UHFFFAOYSA-N -1 1 318.254 3.610 20 0 DHADMM Cc1ccc(O)c(C[N@H+](Cc2ccc(F)cc2)CC2CC2)n1 ZINC000353847241 335216535 /nfs/dbraw/zinc/21/65/35/335216535.db2.gz SDSKJXYYMBQESM-UHFFFAOYSA-N -1 1 300.377 3.647 20 0 DHADMM Cc1nc(-c2nc3ccc(-c4ccccc4)cc3c(=O)[n-]2)co1 ZINC000345215457 335308522 /nfs/dbraw/zinc/30/85/22/335308522.db2.gz YFYBSKNWOYCPTM-UHFFFAOYSA-N -1 1 303.321 3.966 20 0 DHADMM C[C@@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccccc1 ZINC000345834657 335354220 /nfs/dbraw/zinc/35/42/20/335354220.db2.gz KEFFEDHXZPEGQQ-GFCCVEGCSA-N -1 1 307.353 3.525 20 0 DHADMM O=C(c1ncccc1[O-])N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000444656541 338479614 /nfs/dbraw/zinc/47/96/14/338479614.db2.gz GMWAQRINGYWWQK-CQSZACIVSA-N -1 1 316.788 3.808 20 0 DHADMM CC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2[O-])c(F)c1 ZINC000347446959 335497100 /nfs/dbraw/zinc/49/71/00/335497100.db2.gz ACBXUZWDOQROQV-UHFFFAOYSA-N -1 1 307.708 3.640 20 0 DHADMM COc1c(F)ccc(F)c1C(=O)[N-]c1cc(F)cc(F)c1F ZINC000348134806 335555729 /nfs/dbraw/zinc/55/57/29/335555729.db2.gz DQQPWIGXUJVHFP-UHFFFAOYSA-N -1 1 317.213 3.643 20 0 DHADMM Cc1c(Cl)cccc1OCC(=O)Nc1ccc(F)cc1[O-] ZINC000532267310 335927732 /nfs/dbraw/zinc/92/77/32/335927732.db2.gz QRAVNXKZRIJHOG-UHFFFAOYSA-N -1 1 309.724 3.511 20 0 DHADMM CN(CCOc1ccccc1)C(=O)c1cc2ccccc2cc1[O-] ZINC000018072842 335948035 /nfs/dbraw/zinc/94/80/35/335948035.db2.gz MQASKUQXHXOZGI-UHFFFAOYSA-N -1 1 321.376 3.696 20 0 DHADMM O=c1cc(C(F)F)nc(SCCc2ccc(F)c(F)c2)[n-]1 ZINC000583662704 336034742 /nfs/dbraw/zinc/03/47/42/336034742.db2.gz QQNUFJPFPGOYAT-UHFFFAOYSA-N -1 1 318.295 3.733 20 0 DHADMM Cc1ccc(-c2cc(C(=O)Nc3ccc4ccccc4n3)[nH]n2)o1 ZINC000351699902 336059754 /nfs/dbraw/zinc/05/97/54/336059754.db2.gz HJBCOUWGOOPKJR-UHFFFAOYSA-N -1 1 318.336 3.779 20 0 DHADMM CCCCc1nnc([N-]C(=O)c2coc(C3CCCC3)n2)s1 ZINC000331378081 336134132 /nfs/dbraw/zinc/13/41/32/336134132.db2.gz FCWMDDMQWKVRTI-UHFFFAOYSA-N -1 1 320.418 3.779 20 0 DHADMM O=C(CCc1ccnc2ccccc12)Nc1ccc(F)cc1[O-] ZINC000532622166 336257092 /nfs/dbraw/zinc/25/70/92/336257092.db2.gz GNWCTFYAQCYVKU-UHFFFAOYSA-N -1 1 310.328 3.651 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc2[nH]c(C(F)F)nc2c1 ZINC000532621075 336257131 /nfs/dbraw/zinc/25/71/31/336257131.db2.gz SCEIXXFFMWIFGS-UHFFFAOYSA-N -1 1 321.258 3.598 20 0 DHADMM COc1ccc(CCCCC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000532622268 336257213 /nfs/dbraw/zinc/25/72/13/336257213.db2.gz UDNKYUSWRMFMKS-UHFFFAOYSA-N -1 1 317.360 3.891 20 0 DHADMM CC(C)(C)c1ccc(CNC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000580378231 336262311 /nfs/dbraw/zinc/26/23/11/336262311.db2.gz ATLZYIXHAFAKGM-UHFFFAOYSA-N -1 1 319.351 3.898 20 0 DHADMM CCOc1ccc(S(=O)(=O)[N-]c2cscc2C)cc1C ZINC000532672481 336266124 /nfs/dbraw/zinc/26/61/24/336266124.db2.gz JIDMLXBAAWQKPP-UHFFFAOYSA-N -1 1 311.428 3.564 20 0 DHADMM CCc1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1C ZINC000389393010 336285201 /nfs/dbraw/zinc/28/52/01/336285201.db2.gz ZEIPPSIFKTZJTD-UHFFFAOYSA-N -1 1 317.410 3.561 20 0 DHADMM Cc1nc(-c2ccc(NCc3cccs3)nc2)[n-]c(=O)c1C ZINC000301340290 336301474 /nfs/dbraw/zinc/30/14/74/336301474.db2.gz FUXVKMQNKIWQOW-UHFFFAOYSA-N -1 1 312.398 3.535 20 0 DHADMM COc1ccc(-c2nc(Cc3cc(C)cc(C)c3)no2)c([O-])c1 ZINC000320855945 336371790 /nfs/dbraw/zinc/37/17/90/336371790.db2.gz QFYLMSCSSUCFIB-UHFFFAOYSA-N -1 1 310.353 3.658 20 0 DHADMM Cc1cc(C)cc(OCc2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000563933291 336385542 /nfs/dbraw/zinc/38/55/42/336385542.db2.gz QFVCSNWAAOVGIV-UHFFFAOYSA-N -1 1 314.316 3.777 20 0 DHADMM CCC1(CC)CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000355822711 336523619 /nfs/dbraw/zinc/52/36/19/336523619.db2.gz VTYSFGADDVLRKV-UHFFFAOYSA-N -1 1 318.804 3.856 20 0 DHADMM CCC[C@@H](C)CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000363201240 336820278 /nfs/dbraw/zinc/82/02/78/336820278.db2.gz YFDGTORODASYPS-CQSZACIVSA-N -1 1 317.429 3.640 20 0 DHADMM O=C(C[C@@H]1CCOc2ccccc21)Nc1ccc([O-])c(Cl)c1 ZINC000117991821 336861531 /nfs/dbraw/zinc/86/15/31/336861531.db2.gz OVTFDBGMYKIODS-NSHDSACASA-N -1 1 317.772 3.941 20 0 DHADMM C[C@@H]1C[C@H](c2ccsc2)CN1C(=O)c1c(F)ccc([O-])c1F ZINC000377670373 337058134 /nfs/dbraw/zinc/05/81/34/337058134.db2.gz JBZSOKHGMHCZOE-KOLCDFICSA-N -1 1 323.364 3.750 20 0 DHADMM O=C(Nc1cccc(CCCO)c1)c1ccc2ccccc2c1[O-] ZINC000392175547 337168171 /nfs/dbraw/zinc/16/81/71/337168171.db2.gz UBAOWACSIDKZQY-UHFFFAOYSA-N -1 1 321.376 3.723 20 0 DHADMM Cn1cc(C(=O)Nc2ccc([O-])c(Cl)c2)c2ccccc21 ZINC000182860127 337190459 /nfs/dbraw/zinc/19/04/59/337190459.db2.gz XYJSOFMTBWJHAH-UHFFFAOYSA-N -1 1 300.745 3.790 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)CCc2ccco2)c1 ZINC000182912691 337190787 /nfs/dbraw/zinc/19/07/87/337190787.db2.gz STEHCMRLSZXPMH-UHFFFAOYSA-N -1 1 324.174 3.627 20 0 DHADMM C/C=C/c1ccc([N-]S(=O)(=O)c2cccc(COC)c2)cc1 ZINC000583105511 337238108 /nfs/dbraw/zinc/23/81/08/337238108.db2.gz ZGTYPWDCHHBIFQ-HWKANZROSA-N -1 1 317.410 3.667 20 0 DHADMM C[C@@H](C(=O)[O-])[C@H](NCc1cccc(F)c1F)c1ccccc1 ZINC000583239528 337284026 /nfs/dbraw/zinc/28/40/26/337284026.db2.gz BOQQNTODZZAOQB-BZNIZROVSA-N -1 1 305.324 3.516 20 0 DHADMM COc1ccc2c(c1)N(C(=O)c1ccc([O-])cc1F)CCCC2 ZINC000425109248 337418257 /nfs/dbraw/zinc/41/82/57/337418257.db2.gz MERGJNWKDDGCCD-UHFFFAOYSA-N -1 1 315.344 3.523 20 0 DHADMM CC(C)C[C@H](CN[C@@H](CCc1ccccc1)C(F)F)C(=O)[O-] ZINC000263102774 337624483 /nfs/dbraw/zinc/62/44/83/337624483.db2.gz XBSJUFXEZIVHKM-CABCVRRESA-N -1 1 313.388 3.589 20 0 DHADMM O=C([O-])c1cccc(CN[C@H]2CCCOc3ccc(F)cc32)c1 ZINC000263444112 337629375 /nfs/dbraw/zinc/62/93/75/337629375.db2.gz FKDIKYXIZYSBGT-INIZCTEOSA-N -1 1 315.344 3.527 20 0 DHADMM CCCc1nc(C)c([N-]S(=O)(=O)[C@@H](CC)CCC)s1 ZINC000580437508 337676631 /nfs/dbraw/zinc/67/66/31/337676631.db2.gz WNTROSUNKSOJMD-NSHDSACASA-N -1 1 304.481 3.724 20 0 DHADMM CCCc1nc(C)c([N-]S(=O)(=O)[C@H](CC)CCC)s1 ZINC000580437507 337676650 /nfs/dbraw/zinc/67/66/50/337676650.db2.gz WNTROSUNKSOJMD-LLVKDONJSA-N -1 1 304.481 3.724 20 0 DHADMM Cc1cccc([N-]S(=O)(=O)c2cccc3ncccc32)c1C ZINC000120002090 337867840 /nfs/dbraw/zinc/86/78/40/337867840.db2.gz RSOOIDDVWKGCLM-UHFFFAOYSA-N -1 1 312.394 3.652 20 0 DHADMM CSc1ccc(C)c([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000537194847 337911014 /nfs/dbraw/zinc/91/10/14/337911014.db2.gz LOUQUPKWPMKFKV-UHFFFAOYSA-N -1 1 307.440 3.826 20 0 DHADMM CSc1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000537196164 337911153 /nfs/dbraw/zinc/91/11/53/337911153.db2.gz XHIXMTILOMQILZ-UHFFFAOYSA-N -1 1 307.440 3.826 20 0 DHADMM Cc1nc(SCCCC(=O)c2ccccc2)[n-]c(=O)c1C ZINC000537414279 337934146 /nfs/dbraw/zinc/93/41/46/337934146.db2.gz IKDXBXQOXKEQEB-UHFFFAOYSA-N -1 1 302.399 3.554 20 0 DHADMM CCc1ccc([N-]S(=O)(=O)c2cccc(COC)c2)cc1C ZINC000537651247 337953957 /nfs/dbraw/zinc/95/39/57/337953957.db2.gz QFOQYMJRIRCLDD-UHFFFAOYSA-N -1 1 319.426 3.505 20 0 DHADMM C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2cc(Cl)ccc2[O-])o1 ZINC000515967465 338001672 /nfs/dbraw/zinc/00/16/72/338001672.db2.gz ZNYGPXVXYKTCJC-BXKDBHETSA-N -1 1 305.761 3.692 20 0 DHADMM CCc1nc(SC[C@@H]2C[C@H]2c2ccccc2)[n-]c(=O)c1C ZINC000516315494 338009605 /nfs/dbraw/zinc/00/96/05/338009605.db2.gz NBEFCVZFFPWNDW-KBPBESRZSA-N -1 1 300.427 3.949 20 0 DHADMM COc1ccc(-c2nc(-c3cc(C)ccc3F)no2)c([O-])c1 ZINC000445453745 338017060 /nfs/dbraw/zinc/01/70/60/338017060.db2.gz JLGHTQIMDJLZOI-UHFFFAOYSA-N -1 1 300.289 3.565 20 0 DHADMM C[C@H](Oc1cccc(F)c1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445454773 338017207 /nfs/dbraw/zinc/01/72/07/338017207.db2.gz ARMXYPDAOMGLFH-VIFPVBQESA-N -1 1 318.279 3.860 20 0 DHADMM CC[C@@H](C)n1nc(-c2nc(-c3ccc([O-])cc3F)no2)cc1C ZINC000445459831 338018594 /nfs/dbraw/zinc/01/85/94/338018594.db2.gz ICKYELFTQLEJLL-SECBINFHSA-N -1 1 316.336 3.724 20 0 DHADMM [O-]c1ccc(-c2noc(-c3csc(C4CC4)n3)n2)c(F)c1 ZINC000445459986 338018753 /nfs/dbraw/zinc/01/87/53/338018753.db2.gz LASHJDFQYBFLBJ-UHFFFAOYSA-N -1 1 303.318 3.582 20 0 DHADMM COc1cccc([C@H](C)c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445460446 338020399 /nfs/dbraw/zinc/02/03/99/338020399.db2.gz AQAFFKDQQLJUTG-JTQLQIEISA-N -1 1 314.316 3.742 20 0 DHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc(Cl)c(F)c2)o1 ZINC000426765121 338041294 /nfs/dbraw/zinc/04/12/94/338041294.db2.gz KFWQPMXCDOSGOK-CYBMUJFWSA-N -1 1 311.740 3.686 20 0 DHADMM C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1[O-] ZINC000430254838 338103382 /nfs/dbraw/zinc/10/33/82/338103382.db2.gz COIVGGRYNSRPQW-VIFPVBQESA-N -1 1 309.724 3.591 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)cc1Cl ZINC000432640217 338161470 /nfs/dbraw/zinc/16/14/70/338161470.db2.gz DPIZNYWQLCGETJ-UHFFFAOYSA-N -1 1 320.801 3.931 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1cccc2c1CCO2 ZINC000434221706 338212423 /nfs/dbraw/zinc/21/24/23/338212423.db2.gz ZENZDWGZNJBNMX-UHFFFAOYSA-N -1 1 304.733 3.625 20 0 DHADMM CSc1ccccc1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000436022976 338256029 /nfs/dbraw/zinc/25/60/29/338256029.db2.gz DDZYOFNARWMDLD-UHFFFAOYSA-N -1 1 307.440 3.826 20 0 DHADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)c1 ZINC000436157956 338260003 /nfs/dbraw/zinc/26/00/03/338260003.db2.gz BRHJFAOVVFIFCJ-UHFFFAOYSA-N -1 1 314.410 3.894 20 0 DHADMM CCc1cc(=O)[n-]c(SCc2cc(-c3ccccc3)no2)n1 ZINC000436196281 338261532 /nfs/dbraw/zinc/26/15/32/338261532.db2.gz HOFAQMORDJFZRC-UHFFFAOYSA-N -1 1 313.382 3.692 20 0 DHADMM CCc1cc(=O)[n-]c(SC[C@H]2CCc3ccccc3C2)n1 ZINC000436212686 338262138 /nfs/dbraw/zinc/26/21/38/338262138.db2.gz WMLXSWAPZUTWPJ-LBPRGKRZSA-N -1 1 300.427 3.642 20 0 DHADMM CCOc1ccc(NC(=O)c2ccc(OC)cc2[O-])cc1Cl ZINC000436482999 338273682 /nfs/dbraw/zinc/27/36/82/338273682.db2.gz FFHULJWUGGFJBR-UHFFFAOYSA-N -1 1 321.760 3.705 20 0 DHADMM CCC1(CC)CN(C(=O)c2ccc(O)cc2[O-])c2ccccc21 ZINC000436520224 338274814 /nfs/dbraw/zinc/27/48/14/338274814.db2.gz DFXJQOBDISUEOQ-UHFFFAOYSA-N -1 1 311.381 3.816 20 0 DHADMM O=C(Nc1cnccc1Oc1ccccc1)c1ccccc1[O-] ZINC000436535705 338275668 /nfs/dbraw/zinc/27/56/68/338275668.db2.gz OHBAEVRXZZGRHG-UHFFFAOYSA-N -1 1 306.321 3.832 20 0 DHADMM CCc1ccc(C(=O)N2CCc3cc(Cl)ccc32)c([O-])c1 ZINC000436558795 338277130 /nfs/dbraw/zinc/27/71/30/338277130.db2.gz ZFWUZMHKYUACSE-UHFFFAOYSA-N -1 1 301.773 3.811 20 0 DHADMM O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cc(F)ccc1[O-] ZINC000436577667 338278065 /nfs/dbraw/zinc/27/80/65/338278065.db2.gz OWDPJEUMZPEREX-CABZTGNLSA-N -1 1 319.298 3.630 20 0 DHADMM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cc(F)ccc1[O-] ZINC000436575758 338278070 /nfs/dbraw/zinc/27/80/70/338278070.db2.gz NKIBAPAUSINXDP-DZGCQCFKSA-N -1 1 313.372 3.625 20 0 DHADMM Cc1ccc(C(C)(C)CN(C)C(=O)c2cc(F)ccc2[O-])cc1 ZINC000436583327 338278429 /nfs/dbraw/zinc/27/84/29/338278429.db2.gz JGYFXVCSOLEFAT-UHFFFAOYSA-N -1 1 315.388 3.890 20 0 DHADMM CC(C)[C@@H](CNC(=O)c1ccc(Cl)cc1[O-])c1cccnc1 ZINC000436585855 338278593 /nfs/dbraw/zinc/27/85/93/338278593.db2.gz RGQDNTSPQYYUEP-OAHLLOKOSA-N -1 1 318.804 3.610 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CCc2c(F)ccc(F)c2C1 ZINC000436589865 338278681 /nfs/dbraw/zinc/27/86/81/338278681.db2.gz QBEFWFHFBZBHRG-UHFFFAOYSA-N -1 1 323.726 3.522 20 0 DHADMM COc1ccc(-c2nc(-c3ccc(C)cc3F)no2)c([O-])c1 ZINC000436591358 338278946 /nfs/dbraw/zinc/27/89/46/338278946.db2.gz WFBLBJBYBCETHE-UHFFFAOYSA-N -1 1 300.289 3.565 20 0 DHADMM Cc1noc(C)c1Cc1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000436596129 338279073 /nfs/dbraw/zinc/27/90/73/338279073.db2.gz LDTDDEJQUDARPB-UHFFFAOYSA-N -1 1 321.336 3.791 20 0 DHADMM CC(C)(C)C[C@H](NC(=O)c1c([O-])cccc1F)C(F)(F)F ZINC000436992445 338296990 /nfs/dbraw/zinc/29/69/90/338296990.db2.gz YOTUIXDLMVRUFA-JTQLQIEISA-N -1 1 307.287 3.628 20 0 DHADMM Cn1nc(C2CCCCC2)cc1NC(=O)c1cc(F)ccc1[O-] ZINC000436593743 338279173 /nfs/dbraw/zinc/27/91/73/338279173.db2.gz CGBIQULGHWIMRP-UHFFFAOYSA-N -1 1 317.364 3.565 20 0 DHADMM CC1(C)CCCc2sc(NC(=O)c3ccc([O-])cc3F)nc21 ZINC000436608035 338279838 /nfs/dbraw/zinc/27/98/38/338279838.db2.gz SZCWSFNDMHUAIX-UHFFFAOYSA-N -1 1 320.389 3.854 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCc2cccc(F)c2C1 ZINC000436648492 338281333 /nfs/dbraw/zinc/28/13/33/338281333.db2.gz MDHHLIFBJWFQOV-UHFFFAOYSA-N -1 1 321.351 3.883 20 0 DHADMM O=C(Nc1ccc(OC(F)F)cc1F)c1cc(F)ccc1[O-] ZINC000436669687 338282186 /nfs/dbraw/zinc/28/21/86/338282186.db2.gz BDNQUINZCCDQOA-UHFFFAOYSA-N -1 1 315.222 3.524 20 0 DHADMM O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(O)cc1[O-] ZINC000436673402 338282343 /nfs/dbraw/zinc/28/23/43/338282343.db2.gz KDNIQIKJJWRVJT-UHFFFAOYSA-N -1 1 313.353 3.672 20 0 DHADMM C[C@H](Cc1ccccc1F)NC(=O)c1cc(Cl)ccc1[O-] ZINC000436675602 338282459 /nfs/dbraw/zinc/28/24/59/338282459.db2.gz VYOUIAVMPKYRCN-SNVBAGLBSA-N -1 1 307.752 3.546 20 0 DHADMM O=C(N[C@H]1CCc2cc(F)ccc21)c1cc(Cl)ccc1[O-] ZINC000436676606 338282558 /nfs/dbraw/zinc/28/25/58/338282558.db2.gz RCUDXWKWVAJUAV-AWEZNQCLSA-N -1 1 305.736 3.602 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2ccccc2-c2nc[nH]n2)c([O-])c1 ZINC000436699277 338283347 /nfs/dbraw/zinc/28/33/47/338283347.db2.gz TWCUKDJRKSYYPR-UHFFFAOYSA-N -1 1 322.368 3.553 20 0 DHADMM CCCCN(C(=O)C(=O)c1ccc([O-])cc1)[C@H]1CCC[C@@H](C)C1 ZINC000436708472 338283551 /nfs/dbraw/zinc/28/35/51/338283551.db2.gz VCONYSKAYZBDDS-ZBFHGGJFSA-N -1 1 317.429 3.782 20 0 DHADMM COc1ccc(C(=O)N(C)c2cc(Cl)ccc2C)c([O-])c1 ZINC000436706469 338283575 /nfs/dbraw/zinc/28/35/75/338283575.db2.gz PTGYOCLIDSPPIL-UHFFFAOYSA-N -1 1 305.761 3.639 20 0 DHADMM CC[C@@](C)(NC(=O)c1ccc(Cl)cc1[O-])c1nc(C)cs1 ZINC000436722006 338284224 /nfs/dbraw/zinc/28/42/24/338284224.db2.gz ZVRAAZAELIDHDI-OAHLLOKOSA-N -1 1 324.833 3.866 20 0 DHADMM Cc1cc(F)ccc1CN(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000436731257 338284517 /nfs/dbraw/zinc/28/45/17/338284517.db2.gz BVFMMZPXGAUARN-UHFFFAOYSA-N -1 1 307.752 3.765 20 0 DHADMM CCOC(=O)c1ccc2[nH]c(-c3ccc([O-])c(Cl)c3)nc2c1 ZINC000436737393 338284826 /nfs/dbraw/zinc/28/48/26/338284826.db2.gz IWJCMDPBWLULBK-UHFFFAOYSA-N -1 1 316.744 3.766 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCCSc2ccccc21 ZINC000436752688 338285486 /nfs/dbraw/zinc/28/54/86/338285486.db2.gz BNQPYKZDDJMTKE-UHFFFAOYSA-N -1 1 303.358 3.674 20 0 DHADMM O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cc(F)ccc1[O-] ZINC000436757741 338285814 /nfs/dbraw/zinc/28/58/14/338285814.db2.gz WWHMEHOPCIHKMT-CYBMUJFWSA-N -1 1 321.348 3.637 20 0 DHADMM O=C(N[C@@H](c1ccco1)c1ccccc1)c1cc(F)ccc1[O-] ZINC000436794150 338287570 /nfs/dbraw/zinc/28/75/70/338287570.db2.gz ALQDBXMKYQSCSW-QGZVFWFLSA-N -1 1 311.312 3.644 20 0 DHADMM C[C@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1(F)F ZINC000436818274 338288498 /nfs/dbraw/zinc/28/84/98/338288498.db2.gz KBQFQIFHVOWTDC-NSHDSACASA-N -1 1 305.324 3.663 20 0 DHADMM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cc(F)ccc3[O-])C2)cc1 ZINC000436829806 338288919 /nfs/dbraw/zinc/28/89/19/338288919.db2.gz TYWHKGRXEAKGKV-DZGCQCFKSA-N -1 1 313.372 3.858 20 0 DHADMM COc1ccc(C(=O)Nc2ccnc(-c3ccccc3)c2)c([O-])c1 ZINC000436848055 338289797 /nfs/dbraw/zinc/28/97/97/338289797.db2.gz MOBKCTPCFQSKSY-UHFFFAOYSA-N -1 1 320.348 3.715 20 0 DHADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccc2c(c1)CCCC2 ZINC000436860462 338290209 /nfs/dbraw/zinc/29/02/09/338290209.db2.gz GSYKMIGOFKEOKX-GFCCVEGCSA-N -1 1 313.372 3.901 20 0 DHADMM Cc1ncsc1/C=C\c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436876225 338291311 /nfs/dbraw/zinc/29/13/11/338291311.db2.gz XHJXBSVIDZTUEB-PLNGDYQASA-N -1 1 303.318 3.517 20 0 DHADMM CN(CCc1cccc2ccccc21)C(=O)c1ccc([O-])cc1F ZINC000436882568 338291579 /nfs/dbraw/zinc/29/15/79/338291579.db2.gz SSVBTYJVYQKNRC-UHFFFAOYSA-N -1 1 323.367 3.999 20 0 DHADMM O=c1cc(-c2noc(-c3cc(F)ccc3[O-])n2)c2ccccc2[nH]1 ZINC000436888642 338292024 /nfs/dbraw/zinc/29/20/24/338292024.db2.gz VCSCMBQXJRYUEN-UHFFFAOYSA-N -1 1 323.283 3.502 20 0 DHADMM O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)c1c([O-])cccc1F ZINC000436917625 338293195 /nfs/dbraw/zinc/29/31/95/338293195.db2.gz ZVDFOHCSCVWSGC-VHSXEESVSA-N -1 1 319.298 3.630 20 0 DHADMM O=C(c1cc(Br)ccc1[O-])N(CC1CC1)C1CCC1 ZINC000436929132 338294085 /nfs/dbraw/zinc/29/40/85/338294085.db2.gz DHIQKQZFMLURJU-UHFFFAOYSA-N -1 1 324.218 3.559 20 0 DHADMM COc1ccc(-c2nc([C@H](C)c3ccc(C)cc3)no2)c([O-])c1 ZINC000436935616 338294398 /nfs/dbraw/zinc/29/43/98/338294398.db2.gz WRGMQRVXKLCFIH-GFCCVEGCSA-N -1 1 310.353 3.911 20 0 DHADMM [O-]c1ccc(F)cc1-c1nc(CCCc2ccsc2)no1 ZINC000436950447 338295259 /nfs/dbraw/zinc/29/52/59/338295259.db2.gz ONSCNNZFWOINRN-UHFFFAOYSA-N -1 1 304.346 3.818 20 0 DHADMM COc1cc(-c2nc(-c3ccoc3C)no2)cc(Cl)c1[O-] ZINC000436955422 338295728 /nfs/dbraw/zinc/29/57/28/338295728.db2.gz FPQUNDWKPICUDL-UHFFFAOYSA-N -1 1 306.705 3.673 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1CC=C(c2ccccc2F)C1 ZINC000436957296 338295911 /nfs/dbraw/zinc/29/59/11/338295911.db2.gz UCZVFGXEKJZTFD-UHFFFAOYSA-N -1 1 317.747 3.724 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000436984113 338296850 /nfs/dbraw/zinc/29/68/50/338296850.db2.gz LQSZOFBECOFVLB-LBPRGKRZSA-N -1 1 319.763 3.814 20 0 DHADMM Cc1ncc(NC(=O)Nc2ccc([O-])c(Cl)c2)c(C2CC2)n1 ZINC000439414456 338368696 /nfs/dbraw/zinc/36/86/96/338368696.db2.gz XAOKZDXFUBZDPC-UHFFFAOYSA-N -1 1 318.764 3.665 20 0 DHADMM [O-]c1cccc(CN2CCOC[C@H]2c2ccc(F)cc2)c1Cl ZINC000449585543 338639890 /nfs/dbraw/zinc/63/98/90/338639890.db2.gz FHKZLFYLZBSPJA-HNNXBMFYSA-N -1 1 321.779 3.758 20 0 DHADMM O=C(NC[C@H]1CCC[C@H]1c1ccccc1)c1ccc([O-])cc1F ZINC000452410136 338765749 /nfs/dbraw/zinc/76/57/49/338765749.db2.gz REQISRYTDVLHIB-ZBFHGGJFSA-N -1 1 313.372 3.845 20 0 DHADMM CCCCc1noc([C@@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)n1 ZINC000195086091 338852052 /nfs/dbraw/zinc/85/20/52/338852052.db2.gz WUPXUNPLDHWBIW-SECBINFHSA-N -1 1 320.418 3.639 20 0 DHADMM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1ccc([O-])cc1F ZINC000163954194 338859219 /nfs/dbraw/zinc/85/92/19/338859219.db2.gz AMSIGYFXXRDWOD-QMTHXVAHSA-N -1 1 323.726 3.610 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)C12CC3CC(CC(C3)C1)C2 ZINC000456781514 338940441 /nfs/dbraw/zinc/94/04/41/338940441.db2.gz FGWIUMZWMMCJRC-UHFFFAOYSA-N -1 1 307.340 3.825 20 0 DHADMM COc1cc(C(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)cc(Cl)c1[O-] ZINC000460199175 339028131 /nfs/dbraw/zinc/02/81/31/339028131.db2.gz AXXWRNOHHXTAFQ-JTNHKYCSSA-N -1 1 323.820 3.847 20 0 DHADMM CC[C@@H](Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1)C(C)C ZINC000462383277 339077538 /nfs/dbraw/zinc/07/75/38/339077538.db2.gz DOEYRVJTKFOYTB-CQSZACIVSA-N -1 1 300.406 3.708 20 0 DHADMM CCCOc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C)cc1 ZINC000467084677 339226023 /nfs/dbraw/zinc/22/60/23/339226023.db2.gz KOXCBKCXWCXADX-UHFFFAOYSA-N -1 1 323.389 3.724 20 0 DHADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc(C)c(OC)c1C ZINC000488294477 339775902 /nfs/dbraw/zinc/77/59/02/339775902.db2.gz KUAYPAGFCKPHNZ-UHFFFAOYSA-N -1 1 319.426 3.675 20 0 DHADMM CC(C)(CCCc1ccccc1)CNC(=O)c1cncc([O-])c1 ZINC000505980678 340182591 /nfs/dbraw/zinc/18/25/91/340182591.db2.gz GGXPBIXNRGNWAG-UHFFFAOYSA-N -1 1 312.413 3.566 20 0 DHADMM O=C([N-]c1nnc(-c2ccccn2)s1)c1sccc1Cl ZINC000507449468 340220179 /nfs/dbraw/zinc/22/01/79/340220179.db2.gz ICGUEEBJLNFLGQ-UHFFFAOYSA-N -1 1 322.802 3.567 20 0 DHADMM O=C(Nc1nc(-c2cccs2)cs1)c1ccccc1[O-] ZINC000301994533 340265982 /nfs/dbraw/zinc/26/59/82/340265982.db2.gz GIIKCDZUIMQWGQ-UHFFFAOYSA-N -1 1 302.380 3.830 20 0 DHADMM [O-]c1ccc(F)c(C[NH2+]C[C@H]2CCCc3ccccc32)c1F ZINC000509768315 340278631 /nfs/dbraw/zinc/27/86/31/340278631.db2.gz WEWAXQKSFQKCFU-CYBMUJFWSA-N -1 1 303.352 3.880 20 0 DHADMM O=C(N[C@H]1CCCOc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000303118875 340303531 /nfs/dbraw/zinc/30/35/31/340303531.db2.gz PKEGKTQIFORHDV-AWEZNQCLSA-N -1 1 317.772 3.689 20 0 DHADMM [O-]c1cccc(CN2CCO[C@@H](C3CCCCC3)C2)c1Cl ZINC000512477991 340363256 /nfs/dbraw/zinc/36/32/56/340363256.db2.gz AYNVCJQMSOYUKX-MRXNPFEDSA-N -1 1 309.837 3.827 20 0 DHADMM COc1cccc(CCNC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000325958285 340710260 /nfs/dbraw/zinc/71/02/60/340710260.db2.gz OTSUAJAPBLZQGN-UHFFFAOYSA-N -1 1 321.376 3.527 20 0 DHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)[C@H]1CCC(=O)C1 ZINC000529539082 340761069 /nfs/dbraw/zinc/76/10/69/340761069.db2.gz PHIIPBZOSUKRCL-VIFPVBQESA-N -1 1 303.745 3.507 20 0 DHADMM CC[C@@H](CCc1ccccc1)NC(=O)c1c(F)ccc([O-])c1F ZINC000529801950 340769883 /nfs/dbraw/zinc/76/98/83/340769883.db2.gz RAMDHPKGKCZAAD-ZDUSSCGKSA-N -1 1 319.351 3.812 20 0 DHADMM CC(C)Cn1ncc(C(=O)Nc2cccc(F)c2[O-])c1C1CC1 ZINC000530005903 340775794 /nfs/dbraw/zinc/77/57/94/340775794.db2.gz NVOOYUKHPQDSLP-UHFFFAOYSA-N -1 1 317.364 3.514 20 0 DHADMM Cc1nc(SCc2nc(C(C)(C)C)cs2)[n-]c(=O)c1C ZINC000539616855 340892978 /nfs/dbraw/zinc/89/29/78/340892978.db2.gz LLJZGIPRUCNEFJ-UHFFFAOYSA-N -1 1 309.460 3.845 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H]1c1ccccn1 ZINC000539844837 340905583 /nfs/dbraw/zinc/90/55/83/340905583.db2.gz QSIGWPMFIPEJLG-SFHVURJKSA-N -1 1 318.376 3.918 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000543745543 341056454 /nfs/dbraw/zinc/05/64/54/341056454.db2.gz BJIRAWFJTAJZDN-AWEZNQCLSA-N -1 1 324.163 3.641 20 0 DHADMM O=c1nc(-c2ccc(Cl)o2)[n-]c2sc3c(c21)CCSC3 ZINC000131443650 341088821 /nfs/dbraw/zinc/08/88/21/341088821.db2.gz NZSYHCPEVNMFRC-UHFFFAOYSA-N -1 1 324.814 3.687 20 0 DHADMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000072543036 341090496 /nfs/dbraw/zinc/09/04/96/341090496.db2.gz BEZMMRYXOGPCLZ-UHFFFAOYSA-N -1 1 307.390 3.751 20 0 DHADMM C[C@@H]1CCC[C@H](CC[N@@H+](C)Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000131686740 341108156 /nfs/dbraw/zinc/10/81/56/341108156.db2.gz OJVMQOFQGKAVEG-CHWSQXEVSA-N -1 1 319.474 3.633 20 0 DHADMM COc1ccc(C)cc1[N-]S(=O)(=O)C[C@H](C)c1ccccc1 ZINC000133408652 341174771 /nfs/dbraw/zinc/17/47/71/341174771.db2.gz ODRLFMXWKUJLHD-AWEZNQCLSA-N -1 1 319.426 3.549 20 0 DHADMM Cc1nc(CNC(=O)c2cc3ccccc3cc2[O-])sc1C ZINC000075540255 341177761 /nfs/dbraw/zinc/17/77/61/341177761.db2.gz KAEPGANEKWIKNC-UHFFFAOYSA-N -1 1 312.394 3.549 20 0 DHADMM COc1ccccc1SCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000134406207 341214736 /nfs/dbraw/zinc/21/47/36/341214736.db2.gz QGXNNTSVEZIJSW-UHFFFAOYSA-N -1 1 323.801 3.785 20 0 DHADMM CCSCC[C@@H](C)NC(=O)c1ccc2ccccc2c1[O-] ZINC000135393971 341238597 /nfs/dbraw/zinc/23/85/97/341238597.db2.gz PANYBTYBRHTBFZ-GFCCVEGCSA-N -1 1 303.427 3.807 20 0 DHADMM COc1ccc(CN(C)C(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000078356364 341240965 /nfs/dbraw/zinc/24/09/65/341240965.db2.gz XCFFKEVXKJDUKR-UHFFFAOYSA-N -1 1 321.376 3.826 20 0 DHADMM Cc1cc(C)cc(C2=CCN(Cc3occc3C(=O)[O-])CC2)c1 ZINC000564338412 341244515 /nfs/dbraw/zinc/24/45/15/341244515.db2.gz ZDKLIMSLHKVGQB-UHFFFAOYSA-N -1 1 311.381 3.884 20 0 DHADMM CCCCN(CC)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000549153229 341287261 /nfs/dbraw/zinc/28/72/61/341287261.db2.gz FOMMVYCBMSGGHO-UHFFFAOYSA-N -1 1 306.793 3.856 20 0 DHADMM Cc1cc(=O)[n-]c([C@H](C)[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)n1 ZINC000549173776 341287860 /nfs/dbraw/zinc/28/78/60/341287860.db2.gz VBLICAKIPOWXCB-OWLYRPNTSA-N -1 1 323.440 3.962 20 0 DHADMM Cc1cnc(SC[C@@H](OC(C)C)c2ccccc2)[n-]c1=O ZINC000566865500 341570352 /nfs/dbraw/zinc/57/03/52/341570352.db2.gz WZGMTTSXOOIOID-CQSZACIVSA-N -1 1 304.415 3.749 20 0 DHADMM C[C@H]1C[C@@H]1CC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000567474780 341609119 /nfs/dbraw/zinc/60/91/19/341609119.db2.gz RGETWKNAAPNAIY-NKWVEPMBSA-N -1 1 318.598 3.793 20 0 DHADMM CCc1nc(S[C@@H](C)c2nc(C(C)(C)C)no2)[n-]c(=O)c1C ZINC000568273466 341662930 /nfs/dbraw/zinc/66/29/30/341662930.db2.gz SEKIXFFLJUUIHW-VIFPVBQESA-N -1 1 322.434 3.587 20 0 DHADMM O=C(c1ncccc1[O-])N1Cc2ccccc2-c2ccccc2C1 ZINC000171142100 341772507 /nfs/dbraw/zinc/77/25/07/341772507.db2.gz HSBWFLNBMVJLBE-UHFFFAOYSA-N -1 1 316.360 3.610 20 0 DHADMM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cncc([O-])c1 ZINC000111586328 522948710 /nfs/dbraw/zinc/94/87/10/522948710.db2.gz HFFDCVIETLUWMA-QZTJIDSGSA-N -1 1 310.397 3.586 20 0 DHADMM CO[C@@H](C)c1nc(CSc2nc(C3CC3)cc(=O)[n-]2)cs1 ZINC000188140009 523478664 /nfs/dbraw/zinc/47/86/64/523478664.db2.gz JTVLANJWRGPCAE-QMMMGPOBSA-N -1 1 323.443 3.516 20 0 DHADMM CS[C@@H](C)CC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182912342 525793354 /nfs/dbraw/zinc/79/33/54/525793354.db2.gz QSBQSSHBVNKKKM-QMMMGPOBSA-N -1 1 318.236 3.543 20 0 DHADMM C[C@@H](c1cccnc1)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180412985 526119939 /nfs/dbraw/zinc/11/99/39/526119939.db2.gz PPRPTDKWAKHZMD-JTQLQIEISA-N -1 1 324.302 3.639 20 0 DHADMM [O-]c1cccc(CN[C@H]2CCOc3c(F)cccc32)c1Cl ZINC000339364269 526360426 /nfs/dbraw/zinc/36/04/26/526360426.db2.gz HBLFGSZKGGHUBF-ZDUSSCGKSA-N -1 1 307.752 3.798 20 0 DHADMM [O-]c1cccc(CN[C@@H]2CCOc3c(F)cccc32)c1Cl ZINC000339364268 526360949 /nfs/dbraw/zinc/36/09/49/526360949.db2.gz HBLFGSZKGGHUBF-CYBMUJFWSA-N -1 1 307.752 3.798 20 0 DHADMM Cc1noc(C2CC2)c1[N-]C(=O)c1nc(C(C)C)ncc1Cl ZINC000156713345 526583814 /nfs/dbraw/zinc/58/38/14/526583814.db2.gz AVJLQGLFVOBQJV-UHFFFAOYSA-N -1 1 320.780 3.680 20 0 DHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccoc1C1CC1 ZINC000336908182 527135526 /nfs/dbraw/zinc/13/55/26/527135526.db2.gz ZRTDUSVFHAPXNG-UHFFFAOYSA-N -1 1 309.325 3.505 20 0 DHADMM CC(C)(C)OCc1cc(C(=O)Nc2ccc(Cl)cc2[O-])no1 ZINC000274683682 534990013 /nfs/dbraw/zinc/99/00/13/534990013.db2.gz SDOAMYVGIABYCA-UHFFFAOYSA-N -1 1 324.764 3.601 20 0 DHADMM C[C@@H](NCc1cccc(C(=O)[O-])c1)c1ccc2ccccc2n1 ZINC000820148692 598192848 /nfs/dbraw/zinc/19/28/48/598192848.db2.gz RWZBRGRTRCCRFA-CYBMUJFWSA-N -1 1 306.365 3.784 20 0 DHADMM CC(C)Cc1ccc([C@H](C)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000735850966 599394129 /nfs/dbraw/zinc/39/41/29/599394129.db2.gz WQFINXCIOGHBPN-ZDUSSCGKSA-N -1 1 322.416 3.633 20 0 DHADMM CC(C)Cc1ccc([C@H](C)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000735850966 599394132 /nfs/dbraw/zinc/39/41/32/599394132.db2.gz WQFINXCIOGHBPN-ZDUSSCGKSA-N -1 1 322.416 3.633 20 0 DHADMM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1Cl ZINC000736661720 599709725 /nfs/dbraw/zinc/70/97/25/599709725.db2.gz HCXRSXZZUJLVHK-MEBBXXQBSA-N -1 1 307.752 3.956 20 0 DHADMM CN(CCCOc1ccc(Cl)cc1)Cc1cc(C(=O)[O-])co1 ZINC000576949150 599848325 /nfs/dbraw/zinc/84/83/25/599848325.db2.gz FLRMVLFWPSAVNE-UHFFFAOYSA-N -1 1 323.776 3.532 20 0 DHADMM COc1ccccc1[C@@H]1CCCCN1Cc1occc1C(=O)[O-] ZINC000738131408 599993036 /nfs/dbraw/zinc/99/30/36/599993036.db2.gz ZPJWTAUZDUZGHF-HNNXBMFYSA-N -1 1 315.369 3.714 20 0 DHADMM CC(C)N(CCC(=O)[O-])Cc1csc(-c2ccsc2)n1 ZINC000037596061 600222044 /nfs/dbraw/zinc/22/20/44/600222044.db2.gz RUFSUGYNXMRLCB-UHFFFAOYSA-N -1 1 310.444 3.557 20 0 DHADMM O=C([O-])[C@H](NCc1ccccc1Cl)c1cccc(Cl)c1 ZINC000426742152 600416557 /nfs/dbraw/zinc/41/65/57/600416557.db2.gz OMAHTHKBJGDTPT-CQSZACIVSA-N -1 1 310.180 3.909 20 0 DHADMM O=C([O-])[C@H](NCc1cc2c(s1)CCCC2)c1ccccc1 ZINC000738526089 600425570 /nfs/dbraw/zinc/42/55/70/600425570.db2.gz POLIEXQWKIPVPF-MRXNPFEDSA-N -1 1 301.411 3.542 20 0 DHADMM CCOc1ccccc1CN[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737211841 600427456 /nfs/dbraw/zinc/42/74/56/600427456.db2.gz SNDVXNPASUEZJQ-MRXNPFEDSA-N -1 1 319.788 3.654 20 0 DHADMM CSc1ccc(F)cc1CN[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000832781536 600694178 /nfs/dbraw/zinc/69/41/78/600694178.db2.gz WPUDMCIJZPYVCD-HNNXBMFYSA-N -1 1 323.364 3.602 20 0 DHADMM CCOc1ccc([C@H](C)N[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000830064472 600734504 /nfs/dbraw/zinc/73/45/04/600734504.db2.gz STLJRHBJKNLJHO-SJCJKPOMSA-N -1 1 317.360 3.701 20 0 DHADMM CN(Cc1ccoc1)Cc1c(C(=O)[O-])sc2cccc(F)c21 ZINC000315308427 600820771 /nfs/dbraw/zinc/82/07/71/600820771.db2.gz JSRZUINUZPTPKM-UHFFFAOYSA-N -1 1 319.357 3.964 20 0 DHADMM CCCC[C@H](Sc1nc(C=Cc2ccc(C)o2)n[nH]1)C(=O)[O-] ZINC000829296434 600836192 /nfs/dbraw/zinc/83/61/92/600836192.db2.gz SUIWZWKDWUGKGL-BCPZQOPPSA-N -1 1 321.402 3.612 20 0 DHADMM Cc1cccnc1[C@@H](N[C@H](C)c1ccc(C(=O)[O-])o1)C(C)C ZINC000738785043 600956544 /nfs/dbraw/zinc/95/65/44/600956544.db2.gz GGHRGYSJEQUCKG-DOMZBBRYSA-N -1 1 302.374 3.729 20 0 DHADMM CC[C@](C)(NCc1cccc(C(=O)[O-])c1)c1nc(C)cs1 ZINC000263417130 601041994 /nfs/dbraw/zinc/04/19/94/601041994.db2.gz NPEMDVVHJQLDDT-INIZCTEOSA-N -1 1 304.415 3.565 20 0 DHADMM C/C(=C/CN1CCC[C@H]1c1cccc(Br)c1)C(=O)[O-] ZINC000825741267 601052564 /nfs/dbraw/zinc/05/25/64/601052564.db2.gz LEZAYZBOUJBSRI-JOHMGYAOSA-N -1 1 324.218 3.617 20 0 DHADMM C[C@@H](CN(Cc1cnc(Cl)s1)Cc1ccccc1)C(=O)[O-] ZINC000827454629 601136211 /nfs/dbraw/zinc/13/62/11/601136211.db2.gz DCKOBYSPVPRLGV-NSHDSACASA-N -1 1 324.833 3.519 20 0 DHADMM O=C([O-])[C@@]1(F)CCN(Cc2ccc3oc4ccccc4c3c2)C1 ZINC000833175072 601438554 /nfs/dbraw/zinc/43/85/54/601438554.db2.gz MZMNTXGTSBPJKN-GOSISDBHSA-N -1 1 313.328 3.585 20 0 DHADMM O=C([O-])c1occc1CN1CCCC[C@@H]1c1ccc(F)cc1 ZINC000833345621 601452446 /nfs/dbraw/zinc/45/24/46/601452446.db2.gz FKSWTFRHCJLUJV-OAHLLOKOSA-N -1 1 303.333 3.844 20 0 DHADMM Cc1sc(C(=O)[O-])cc1CN1CCC[C@@H](C(F)(F)F)C1 ZINC000122770104 601613768 /nfs/dbraw/zinc/61/37/68/601613768.db2.gz KCOIIQGZEGETNM-SNVBAGLBSA-N -1 1 307.337 3.529 20 0 DHADMM O=C([O-])c1ccc(CN2CC(c3nc4ccccc4s3)C2)cc1 ZINC000833314484 601802410 /nfs/dbraw/zinc/80/24/10/601802410.db2.gz KBPXCJXXAMYBHA-UHFFFAOYSA-N -1 1 324.405 3.594 20 0 DHADMM CCc1nc2c(s1)[C@@H](N(C)Cc1ccoc1C(=O)[O-])CCC2 ZINC000652431581 602054210 /nfs/dbraw/zinc/05/42/10/602054210.db2.gz BRAKEHYXTNJCHR-LBPRGKRZSA-N -1 1 320.414 3.506 20 0 DHADMM Cc1nc2ccc(NC(=O)c3ccc(C)c(NC(=O)[O-])c3)cc2[nH]1 ZINC000830786253 603268996 /nfs/dbraw/zinc/26/89/96/603268996.db2.gz YZFCUGNNTOOUPX-UHFFFAOYSA-N -1 1 324.340 3.522 20 0 DHADMM C[C@@H](NCc1ccc(NC(=O)[O-])nc1)c1cccc(Cl)c1 ZINC000825502768 603529196 /nfs/dbraw/zinc/52/91/96/603529196.db2.gz KQESQICATIWMCS-SNVBAGLBSA-N -1 1 305.765 3.676 20 0 DHADMM O=C([O-])c1cc(CN2CCC[C@@H]2c2ccc(Cl)cc2)c[nH]1 ZINC000833779145 604535646 /nfs/dbraw/zinc/53/56/46/604535646.db2.gz JDZCXSXUKNWJJE-OAHLLOKOSA-N -1 1 304.777 3.703 20 0 DHADMM O=C([O-])c1cc(CN2CCC[C@H]2c2ccc(Cl)cc2)c[nH]1 ZINC000833779143 604535989 /nfs/dbraw/zinc/53/59/89/604535989.db2.gz JDZCXSXUKNWJJE-HNNXBMFYSA-N -1 1 304.777 3.703 20 0 DHADMM CN(Cc1cc(Cl)ccc1F)[C@H](C(=O)[O-])c1ccccc1 ZINC000833694208 604645176 /nfs/dbraw/zinc/64/51/76/604645176.db2.gz DVUSBJSIKBPNTM-HNNXBMFYSA-N -1 1 307.752 3.737 20 0 DHADMM Cc1nc(CN(CCCC(=O)[O-])Cc2ccccc2)sc1C ZINC000572967516 604781962 /nfs/dbraw/zinc/78/19/62/604781962.db2.gz IXANGCURTKTVBG-UHFFFAOYSA-N -1 1 318.442 3.627 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN[C@H](C)c1ccc(F)c(F)c1 ZINC000833681376 605063517 /nfs/dbraw/zinc/06/35/17/605063517.db2.gz ZMLKDVFBJQSYLP-SECBINFHSA-N -1 1 309.312 3.669 20 0 DHADMM COc1ccc(C)cc1[C@@H](C)NCc1ccc(C(=O)[O-])c(F)c1 ZINC000833731196 605065037 /nfs/dbraw/zinc/06/50/37/605065037.db2.gz VMMIZADVUIKQMG-GFCCVEGCSA-N -1 1 317.360 3.692 20 0 DHADMM CCOc1ccc([C@@H](C)NCc2cc(C(=O)[O-])oc2CC)cc1 ZINC000833663436 605067395 /nfs/dbraw/zinc/06/73/95/605067395.db2.gz JKBJGOVKCAJUAC-GFCCVEGCSA-N -1 1 317.385 3.790 20 0 DHADMM CCOc1ccc([C@H](C)NCc2ccc(C(=O)[O-])cc2F)cc1 ZINC000833664572 605068331 /nfs/dbraw/zinc/06/83/31/605068331.db2.gz YAGSYIAKHJRWPM-LBPRGKRZSA-N -1 1 317.360 3.773 20 0 DHADMM COc1ccc(C)cc1[C@H](C)NCc1cc(C(=O)[O-])sc1C ZINC000833730540 605068411 /nfs/dbraw/zinc/06/84/11/605068411.db2.gz GARQQXRMKMBLAP-NSHDSACASA-N -1 1 319.426 3.923 20 0 DHADMM CC(C)(C)SCCN[C@H](C(=O)[O-])c1c(F)cccc1Cl ZINC000833447002 605358613 /nfs/dbraw/zinc/35/86/13/605358613.db2.gz LGAVFBVADRPQSL-LBPRGKRZSA-N -1 1 319.829 3.726 20 0 DHADMM O=C([O-])Nc1ccc2c(c1)CC[C@@H]2NCc1cc(F)ccc1F ZINC000834261274 605608124 /nfs/dbraw/zinc/60/81/24/605608124.db2.gz AWALFKFBWFDHQD-INIZCTEOSA-N -1 1 318.323 3.832 20 0 DHADMM O=C([O-])Nc1ccc2c(c1)CC[C@@H]2NCc1ccc(Cl)o1 ZINC000834261906 605652696 /nfs/dbraw/zinc/65/26/96/605652696.db2.gz GHJSVQUOZWGALJ-ZDUSSCGKSA-N -1 1 306.749 3.800 20 0 DHADMM O=C([O-])N[C@@H]1C[C@@H](N[C@H]2CCOc3ccccc32)c2ccccc21 ZINC000834160821 605791108 /nfs/dbraw/zinc/79/11/08/605791108.db2.gz WYRRMHPDOLXRKC-GVDBMIGSSA-N -1 1 324.380 3.554 20 0 DHADMM O=C([O-])c1ccc(F)c(CNC2(c3ccc(F)cc3)CCC2)c1 ZINC000833781268 605842744 /nfs/dbraw/zinc/84/27/44/605842744.db2.gz XRXNTJISZGDSPA-UHFFFAOYSA-N -1 1 317.335 3.832 20 0 DHADMM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2csc(C3CCCCC3)n2)C1 ZINC000263369986 950410146 /nfs/dbraw/zinc/41/01/46/950410146.db2.gz VCTQEHZTNHHCBA-OCCSQVGLSA-N -1 1 322.474 3.733 20 0 DHADMM CCc1nc(CNCc2ccccc2C(C)C)ccc1C(=O)[O-] ZINC000846778185 1032064984 /nfs/dbraw/zinc/06/49/84/1032064984.db2.gz STMDOORFPORYHY-UHFFFAOYSA-N -1 1 312.413 3.755 20 0 DHADMM C[C@H](c1ccc(Cl)cc1)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000086773135 957986143 /nfs/dbraw/zinc/98/61/43/957986143.db2.gz HRHMMOKECCXDET-NOZJJQNGSA-N -1 1 321.726 3.740 20 0 DHADMM C[C@H](c1ccc(Cl)cc1)N(C)Cc1ccc(C(=O)[O-])cn1 ZINC000094762723 958310313 /nfs/dbraw/zinc/31/03/13/958310313.db2.gz UQVJUZLLTHSORN-LLVKDONJSA-N -1 1 304.777 3.626 20 0 DHADMM CCCCN(CC)Cc1ccc(C(=O)[O-])cc1Br ZINC000226718856 959895337 /nfs/dbraw/zinc/89/53/37/959895337.db2.gz UANMAJJPJSBWSF-UHFFFAOYSA-N -1 1 314.223 3.769 20 0 DHADMM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1cc(Cl)cc(Cl)c1 ZINC000235358794 960420212 /nfs/dbraw/zinc/42/02/12/960420212.db2.gz XUEXJAYIXLBDQK-MWLCHTKSSA-N -1 1 302.201 3.679 20 0 DHADMM CCCN(CCCCC(=O)[O-])Cc1c(F)cccc1Cl ZINC000262160951 961511361 /nfs/dbraw/zinc/51/13/61/961511361.db2.gz BBKIFLZBTXDGLI-UHFFFAOYSA-N -1 1 301.789 3.946 20 0 DHADMM CN(Cc1csc(-c2ccsc2)n1)C(C)(C)CC(=O)[O-] ZINC001333136779 961653469 /nfs/dbraw/zinc/65/34/69/961653469.db2.gz PPWZLWFOGVDOIT-UHFFFAOYSA-N -1 1 310.444 3.557 20 0 DHADMM C[C@@H](CN(C)Cc1nc(-c2ccccc2Cl)cs1)C(=O)[O-] ZINC000263334841 962483514 /nfs/dbraw/zinc/48/35/14/962483514.db2.gz MFLYCSCMNBFGQZ-JTQLQIEISA-N -1 1 324.833 3.616 20 0 DHADMM C[C@]1(C(=O)[O-])CCN(Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000263477222 962662524 /nfs/dbraw/zinc/66/25/24/962662524.db2.gz FNEKRAGNZXLUHK-ZDUSSCGKSA-N -1 1 321.726 3.655 20 0 DHADMM C[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000652366744 1013381616 /nfs/dbraw/zinc/38/16/16/1013381616.db2.gz NHIUTNBKXVYZFV-NOZJJQNGSA-N -1 1 302.201 3.851 20 0 DHADMM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000340326792 1013495124 /nfs/dbraw/zinc/49/51/24/1013495124.db2.gz DHDYJNXCJLLEBG-JTQLQIEISA-N -1 1 321.373 3.659 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000340329074 1013498354 /nfs/dbraw/zinc/49/83/54/1013498354.db2.gz JDVXDCOBOCQERV-VHSXEESVSA-N -1 1 307.271 3.552 20 0 DHADMM CCOc1cc(C(=O)NC[C@H]2CCC[C@@H]2C)cc(Cl)c1[O-] ZINC000467777742 1013522779 /nfs/dbraw/zinc/52/27/79/1013522779.db2.gz NDNIGSYONPBQBG-WDEREUQCSA-N -1 1 311.809 3.610 20 0 DHADMM Cc1cnc(SCC[C@H](C)OCc2ccccc2)[n-]c1=O ZINC000519610159 1013534284 /nfs/dbraw/zinc/53/42/84/1013534284.db2.gz JABHQJFSDHVKGJ-ZDUSSCGKSA-N -1 1 304.415 3.578 20 0 DHADMM Cc1ccc(-c2nnc([N-]C(=O)c3nccs3)s2)c(C)c1 ZINC000683541749 1013600169 /nfs/dbraw/zinc/60/01/69/1013600169.db2.gz UMPRCHYGSCKGOO-UHFFFAOYSA-N -1 1 316.411 3.531 20 0 DHADMM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3nccs3)s2)c1 ZINC000683550299 1013609541 /nfs/dbraw/zinc/60/95/41/1013609541.db2.gz CBUBJBWJEBBZPE-UHFFFAOYSA-N -1 1 316.411 3.531 20 0 DHADMM COc1cccc([O-])c1C(=O)Nc1ccc(CCSC)cc1 ZINC001143581856 1013749492 /nfs/dbraw/zinc/74/94/92/1013749492.db2.gz ARGXDKOVVSUWLN-UHFFFAOYSA-N -1 1 317.410 3.559 20 0 DHADMM O=C([O-])CC[C@@H]1CCCCN1Cc1csc(-c2ccoc2)n1 ZINC000424257666 968352638 /nfs/dbraw/zinc/35/26/38/968352638.db2.gz KTDSUDDAZJBLHC-AWEZNQCLSA-N -1 1 320.414 3.622 20 0 DHADMM COc1cc(SC)ccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000683650003 1013810984 /nfs/dbraw/zinc/81/09/84/1013810984.db2.gz JAGGBAFRNAVEED-UHFFFAOYSA-N -1 1 307.346 3.514 20 0 DHADMM CC1(C)[C@@H](C(F)(F)F)CCN1Cc1ccc(C(=O)[O-])cc1F ZINC000318803909 970474578 /nfs/dbraw/zinc/47/45/78/970474578.db2.gz VKNZSZHVJNOHBM-LBPRGKRZSA-N -1 1 319.298 3.687 20 0 DHADMM CN(CCCC(=O)[O-])Cc1nc2c(s1)C(C)(C)CC(C)(C)C2 ZINC001604167711 972583415 /nfs/dbraw/zinc/58/34/15/972583415.db2.gz ZXOBQGUQLWXWFW-UHFFFAOYSA-N -1 1 324.490 3.690 20 0 DHADMM Cn1c(C(=O)Nc2ccc([O-])c(Cl)c2)cc2ccccc21 ZINC000129557607 1014074285 /nfs/dbraw/zinc/07/42/85/1014074285.db2.gz LEZKJIATDXUAKE-UHFFFAOYSA-N -1 1 300.745 3.790 20 0 DHADMM [O-]c1ccc(F)cc1-c1nc(Cc2c(F)cccc2Cl)no1 ZINC000317369878 1014094538 /nfs/dbraw/zinc/09/45/38/1014094538.db2.gz GWDWBTPQERLIJI-UHFFFAOYSA-N -1 1 322.698 3.965 20 0 DHADMM O=C(CCOc1ccc(Cl)cc1)Nc1c([O-])cccc1F ZINC000089541428 1014102910 /nfs/dbraw/zinc/10/29/10/1014102910.db2.gz NQGRDBPUATWSKR-UHFFFAOYSA-N -1 1 309.724 3.592 20 0 DHADMM Cc1cccc([C@H]2CCCN2Cc2nc(C(=O)[O-])cs2)c1C ZINC000515305569 974297447 /nfs/dbraw/zinc/29/74/47/974297447.db2.gz AGWKFRHBCKBJIZ-OAHLLOKOSA-N -1 1 316.426 3.795 20 0 DHADMM Cc1cc(CN(C)Cc2cccc(OC(C)C)c2)oc1C(=O)[O-] ZINC000563282695 974526874 /nfs/dbraw/zinc/52/68/74/974526874.db2.gz KHZMZFWMTFDEIR-UHFFFAOYSA-N -1 1 317.385 3.705 20 0 DHADMM COc1ccccc1[C@@H]1CCCN1Cc1csc(C(=O)[O-])c1 ZINC000566359701 974608367 /nfs/dbraw/zinc/60/83/67/974608367.db2.gz ZYFFHYAPZHGTPD-AWEZNQCLSA-N -1 1 317.410 3.792 20 0 DHADMM Cc1oc(CN2CCC[C@H]2c2cccc(F)c2)cc1C(=O)[O-] ZINC000569347613 974688939 /nfs/dbraw/zinc/68/89/39/974688939.db2.gz JJQSDPKSKXMBJR-INIZCTEOSA-N -1 1 303.333 3.762 20 0 DHADMM C[C@@H]1CCN(Cc2nc(C(=O)[O-])cs2)CC12CCCCC2 ZINC000572654121 974752324 /nfs/dbraw/zinc/75/23/24/974752324.db2.gz YXBIWBPGMHIAEY-GFCCVEGCSA-N -1 1 308.447 3.634 20 0 DHADMM C[C@@H]1CCN(Cc2ccc(C(=O)[O-])cn2)[C@@H]1c1cccc(F)c1 ZINC000577521565 974837640 /nfs/dbraw/zinc/83/76/40/974837640.db2.gz JARITHQZLZARHN-PXAZEXFGSA-N -1 1 314.360 3.502 20 0 DHADMM CC(C)c1[nH]c(C[N@H+]2Cc3ccccc3C[C@H]2C)cc1C(=O)[O-] ZINC001591915786 976360426 /nfs/dbraw/zinc/36/04/26/976360426.db2.gz FFEOEVINXXJLLC-CYBMUJFWSA-N -1 1 312.413 3.783 20 0 DHADMM CC(C)c1[nH]c(CN2Cc3ccccc3C[C@H]2C)cc1C(=O)[O-] ZINC001591915786 976360431 /nfs/dbraw/zinc/36/04/31/976360431.db2.gz FFEOEVINXXJLLC-CYBMUJFWSA-N -1 1 312.413 3.783 20 0 DHADMM CC(C)c1[nH]c(CN2Cc3ccccc3[C@@H](C)C2)cc1C(=O)[O-] ZINC001591916995 976374450 /nfs/dbraw/zinc/37/44/50/976374450.db2.gz VIBHJAJKCATRFA-ZDUSSCGKSA-N -1 1 312.413 3.956 20 0 DHADMM O=C(Nc1ccccc1Cc1ccccc1)c1cncc([O-])c1 ZINC000320407598 1014333181 /nfs/dbraw/zinc/33/31/81/1014333181.db2.gz HGPJMNVATLHNRT-UHFFFAOYSA-N -1 1 304.349 3.630 20 0 DHADMM O=C(c1ccc([O-])c(F)c1)N1CC2(CCC2)[C@H]1c1ccccc1 ZINC000647133129 1014368837 /nfs/dbraw/zinc/36/88/37/1014368837.db2.gz QTHOUEKDBXSAJV-QGZVFWFLSA-N -1 1 311.356 3.899 20 0 DHADMM CC[C@@H](CN(CC)C(=O)c1ncc(C)cc1[O-])c1ccccc1 ZINC000427812148 1014530277 /nfs/dbraw/zinc/53/02/77/1014530277.db2.gz POCBROIGUXACHX-HNNXBMFYSA-N -1 1 312.413 3.752 20 0 DHADMM Cc1cnc(C(=O)N2CC[C@H](C)C3(CCCCC3)C2)c([O-])c1 ZINC000427819259 1014531162 /nfs/dbraw/zinc/53/11/62/1014531162.db2.gz RNLBKBIBWQXCMD-AWEZNQCLSA-N -1 1 302.418 3.528 20 0 DHADMM O=C([O-])C[C@H]1CCCN1Cc1cc(C(F)(F)F)ccc1Cl ZINC000902011289 980690043 /nfs/dbraw/zinc/69/00/43/980690043.db2.gz IKVIUJAQGDIAAY-LLVKDONJSA-N -1 1 321.726 3.798 20 0 DHADMM O=C([O-])CN(Cc1ccc(CSC(F)F)o1)C1CCCC1 ZINC000902038776 980709561 /nfs/dbraw/zinc/70/95/61/980709561.db2.gz QYUAUHKPNSCZGF-UHFFFAOYSA-N -1 1 319.373 3.565 20 0 DHADMM Cc1cc(CN[C@@H]2CCSc3ccccc32)oc1C(=O)[O-] ZINC000902068480 980718815 /nfs/dbraw/zinc/71/88/15/980718815.db2.gz ATZBFYWAKLMIAB-CYBMUJFWSA-N -1 1 303.383 3.613 20 0 DHADMM C[C@@H](NCc1cccc(C(=O)[O-])n1)c1cccc(C(F)(F)F)c1 ZINC000902069754 980719509 /nfs/dbraw/zinc/71/95/09/980719509.db2.gz IMHZQMRJKDRLLW-SNVBAGLBSA-N -1 1 324.302 3.649 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CN[C@@H]1CCSc2c(F)cccc21 ZINC000902132124 980751077 /nfs/dbraw/zinc/75/10/77/980751077.db2.gz SKLWOZUTTKLFFD-CYBMUJFWSA-N -1 1 321.373 3.752 20 0 DHADMM Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1cc(C(=O)[O-])c(C)o1 ZINC000902133254 980751589 /nfs/dbraw/zinc/75/15/89/980751589.db2.gz WLGRMWRHLFDHED-OAHLLOKOSA-N -1 1 317.385 3.991 20 0 DHADMM O=C([O-])c1csc(CNCc2ccccc2OCC2CC2)c1 ZINC000902255919 980801338 /nfs/dbraw/zinc/80/13/38/980801338.db2.gz GIVADFUNVMAFBS-UHFFFAOYSA-N -1 1 317.410 3.525 20 0 DHADMM CC1(C)C[C@@H](NCc2ccc(/C=C/C(=O)[O-])o2)c2ccccc21 ZINC000902262828 980806051 /nfs/dbraw/zinc/80/60/51/980806051.db2.gz GGBQAFZSHWQFPB-OAGJVSPASA-N -1 1 311.381 3.890 20 0 DHADMM CC[C@@](C)(NCc1cc(C)c(C(=O)[O-])o1)c1ccc(F)cc1 ZINC000902337434 980837951 /nfs/dbraw/zinc/83/79/51/980837951.db2.gz UZFYSDRIGIAIHW-QGZVFWFLSA-N -1 1 305.349 3.840 20 0 DHADMM Cc1oc(CN[C@@H]2CCc3ccc(Cl)cc32)cc1C(=O)[O-] ZINC000902370141 980858686 /nfs/dbraw/zinc/85/86/86/980858686.db2.gz PRVFRPYOCWQJIE-OAHLLOKOSA-N -1 1 305.761 3.717 20 0 DHADMM CCC[C@@H](NCc1ccoc1C(=O)[O-])c1ccc(F)cc1F ZINC000902381404 980863929 /nfs/dbraw/zinc/86/39/29/980863929.db2.gz MYCXOIUWWKXOPO-CQSZACIVSA-N -1 1 309.312 3.887 20 0 DHADMM Cc1cccc2c1CCC[C@@H]2NCc1ccc(/C=C\C(=O)[O-])o1 ZINC000902463996 980899898 /nfs/dbraw/zinc/89/98/98/980899898.db2.gz FDPBLEOIJLEISU-LENZSSGSSA-N -1 1 311.381 3.853 20 0 DHADMM CCc1oc(CN(C)[C@H](C)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000902509779 980914567 /nfs/dbraw/zinc/91/45/67/980914567.db2.gz PTPFSHCQMKESDJ-LLVKDONJSA-N -1 1 305.349 3.872 20 0 DHADMM Cc1oc(CN2CC=C(c3cccc(C)c3)CC2)cc1C(=O)[O-] ZINC000581315375 1014701137 /nfs/dbraw/zinc/70/11/37/1014701137.db2.gz CFEZDJZFMVZLLA-UHFFFAOYSA-N -1 1 311.381 3.884 20 0 DHADMM CC[C@@H]1c2ccsc2CCN1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001595503916 981277622 /nfs/dbraw/zinc/27/76/22/981277622.db2.gz HHIGATRVGJYITG-LLYBFZRZSA-N -1 1 317.410 3.948 20 0 DHADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3ccoc3c2)c1 ZINC000442821220 1014743019 /nfs/dbraw/zinc/74/30/19/1014743019.db2.gz BFQPATREJCARHH-UHFFFAOYSA-N -1 1 301.367 3.850 20 0 DHADMM CCCC1(CNC(=O)c2cc(Cl)c([O-])c(OC)c2)CCC1 ZINC000443074340 1014805836 /nfs/dbraw/zinc/80/58/36/1014805836.db2.gz QPNPMBPEUZFJOC-UHFFFAOYSA-N -1 1 311.809 3.754 20 0 DHADMM COc1cc(C(=O)Nc2cc(C)cc(F)c2)cc(Cl)c1[O-] ZINC000443078386 1014808013 /nfs/dbraw/zinc/80/80/13/1014808013.db2.gz WYZPKQQGCPIBLT-UHFFFAOYSA-N -1 1 309.724 3.754 20 0 DHADMM O=C(C[C@H](c1ccc(O)cc1)C1CC1)Nc1c([O-])cccc1F ZINC000665304365 1014822913 /nfs/dbraw/zinc/82/29/13/1014822913.db2.gz RHVVABCHQCLXNN-AWEZNQCLSA-N -1 1 315.344 3.759 20 0 DHADMM O=C(/C=C\c1cc2c(c(Cl)c1)OCO2)c1ccc([O-])cc1 ZINC000211412606 1014827684 /nfs/dbraw/zinc/82/76/84/1014827684.db2.gz AWIWVJRIMCUIJX-BHQIHCQQSA-N -1 1 302.713 3.670 20 0 DHADMM CCC1(CC)CCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000443271094 1014859054 /nfs/dbraw/zinc/85/90/54/1014859054.db2.gz ILICPADIZDUSEA-UHFFFAOYSA-N -1 1 311.809 3.707 20 0 DHADMM CCCN(CCC)c1ccc(NC2CC(CC(=O)[O-])C2)cc1 ZINC001595879916 982884513 /nfs/dbraw/zinc/88/45/13/982884513.db2.gz RTRJVOYXLDPSHX-UHFFFAOYSA-N -1 1 304.434 3.978 20 0 DHADMM CCCN(Cc1ccccc1)Cn1ncc2cc(C(=O)[O-])ccc21 ZINC001595899130 982948398 /nfs/dbraw/zinc/94/83/98/982948398.db2.gz FEJVOWLSOLVBMN-UHFFFAOYSA-N -1 1 323.396 3.604 20 0 DHADMM CC(C)(C)CN(CC(=O)[O-])Cc1ccc(-c2ccccc2)o1 ZINC000665349798 1014994523 /nfs/dbraw/zinc/99/45/23/1014994523.db2.gz VEVGAAFYZSLGAG-UHFFFAOYSA-N -1 1 301.386 3.879 20 0 DHADMM C/C(=C\C(=O)[O-])CSc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC001588951994 984683601 /nfs/dbraw/zinc/68/36/01/984683601.db2.gz JZJTWVLHTFRCRN-QPJJXVBHSA-N -1 1 316.304 3.705 20 0 DHADMM Cc1nc(-c2ccc(N[C@@H]3C[C@H]3CC(C)C)nc2)[n-]c(=O)c1C ZINC000413414658 1015103679 /nfs/dbraw/zinc/10/36/79/1015103679.db2.gz VKHMOBFLGGGGMV-HUUCEWRRSA-N -1 1 312.417 3.708 20 0 DHADMM Cc1nc(-c2ccc(NCC[C@@H]3C[C@H]3C3CC3)nc2)[n-]c(=O)c1C ZINC000895425983 1015143023 /nfs/dbraw/zinc/14/30/23/1015143023.db2.gz HDYMFKKXTBILLB-ZBFHGGJFSA-N -1 1 324.428 3.709 20 0 DHADMM Cc1[nH]c(CN2CCCCC[C@@H]2c2ccco2)cc1C(=O)[O-] ZINC001599963984 985858196 /nfs/dbraw/zinc/85/81/96/985858196.db2.gz VPCBWTMMYYDHCN-OAHLLOKOSA-N -1 1 302.374 3.732 20 0 DHADMM C[C@H](N(C)C(=O)c1ccc2ccc(O)cc2c1[O-])C(C)(C)C ZINC000895633141 1015235672 /nfs/dbraw/zinc/23/56/72/1015235672.db2.gz CAKWOWOHDSFWDJ-NSHDSACASA-N -1 1 301.386 3.758 20 0 DHADMM CCOc1cccc([C@H](C)NCc2cc(C(=O)[O-])oc2CC)c1 ZINC001597148955 986914674 /nfs/dbraw/zinc/91/46/74/986914674.db2.gz GYLBHXDAIJBEEL-LBPRGKRZSA-N -1 1 317.385 3.790 20 0 DHADMM C[C@H]1c2ccccc2CCN1Cc1[nH]cc(C(=O)[O-])c1C1CC1 ZINC001594667414 986971600 /nfs/dbraw/zinc/97/16/00/986971600.db2.gz JRYOLNLKWYGEFJ-LBPRGKRZSA-N -1 1 310.397 3.710 20 0 DHADMM CCOc1ccccc1CN[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001597172130 987001647 /nfs/dbraw/zinc/00/16/47/987001647.db2.gz DMJOVIDRPNGEEL-MRXNPFEDSA-N -1 1 319.788 3.654 20 0 DHADMM CCOc1ccccc1[C@@H](CC)NCc1occc1C(=O)[O-] ZINC001597173051 987011986 /nfs/dbraw/zinc/01/19/86/987011986.db2.gz MXIUVCNOMBNVHI-CQSZACIVSA-N -1 1 303.358 3.617 20 0 DHADMM CCSc1cccc(CN[C@H](C)c2cc(C(=O)[O-])co2)c1 ZINC001597277200 987333799 /nfs/dbraw/zinc/33/37/99/987333799.db2.gz JMZFQDTUKLOZLG-LLVKDONJSA-N -1 1 305.399 3.941 20 0 DHADMM CCSc1cccc(CNCc2ccc(/C=C/C(=O)[O-])o2)c1 ZINC001597277411 987334975 /nfs/dbraw/zinc/33/49/75/987334975.db2.gz PGSBPMROBCSTLI-CMDGGOBGSA-N -1 1 317.410 3.779 20 0 DHADMM CC(C)(C(=O)[O-])[C@H](NCc1scnc1Cl)c1ccccc1 ZINC001589601542 987427462 /nfs/dbraw/zinc/42/74/62/987427462.db2.gz NDWNUXMNCALCNX-GFCCVEGCSA-N -1 1 324.833 3.738 20 0 DHADMM CSc1ccc([O-])c(C(=O)N2CCCc3cc(F)ccc32)c1 ZINC001141852273 1015358476 /nfs/dbraw/zinc/35/84/76/1015358476.db2.gz WKHYVNKCBPAYET-UHFFFAOYSA-N -1 1 317.385 3.846 20 0 DHADMM CCc1ccc(C2=CCN(Cc3cc(C(=O)[O-])co3)CC2)cc1 ZINC001597517776 988134240 /nfs/dbraw/zinc/13/42/40/988134240.db2.gz PGRJZKUVDMXLGC-UHFFFAOYSA-N -1 1 311.381 3.830 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN[C@H](CC)c1ccccc1F ZINC001597768060 989230241 /nfs/dbraw/zinc/23/02/41/989230241.db2.gz ZXCJSYSXBDQHDL-CQSZACIVSA-N -1 1 305.349 3.920 20 0 DHADMM C[C@@H]1CN(Cc2ccc(F)c(Cl)c2Cl)C[C@H]1CC(=O)[O-] ZINC001599866429 989270816 /nfs/dbraw/zinc/27/08/16/989270816.db2.gz AUBWQWDOKAFRGX-PSASIEDQSA-N -1 1 320.191 3.675 20 0 DHADMM CCc1onc(C)c1[N-]C(=O)c1nc(-c2cccs2)oc1C ZINC000760083056 1015552636 /nfs/dbraw/zinc/55/26/36/1015552636.db2.gz SROUGSKAKFXPHB-UHFFFAOYSA-N -1 1 317.370 3.823 20 0 DHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1C2CCCC1CCC2 ZINC000896685494 1015704479 /nfs/dbraw/zinc/70/44/79/1015704479.db2.gz HUHNXICQGKTJAT-UHFFFAOYSA-N -1 1 311.381 3.798 20 0 DHADMM CN(Cc1ccc(-c2cccc(F)c2F)o1)C(C)(C)C(=O)[O-] ZINC001598508818 992541121 /nfs/dbraw/zinc/54/11/21/992541121.db2.gz DVICULFSVNLKRB-UHFFFAOYSA-N -1 1 309.312 3.520 20 0 DHADMM FC(F)(F)c1ncc(-c2nc(-c3cccc(Cl)c3)no2)[n-]1 ZINC001213591685 1015716454 /nfs/dbraw/zinc/71/64/54/1015716454.db2.gz MEIRFCOUHUVYLR-UHFFFAOYSA-N -1 1 314.654 3.799 20 0 DHADMM FC(F)(F)c1nc(-c2nc(-c3cccc(Cl)c3)no2)c[n-]1 ZINC001213591685 1015716457 /nfs/dbraw/zinc/71/64/57/1015716457.db2.gz MEIRFCOUHUVYLR-UHFFFAOYSA-N -1 1 314.654 3.799 20 0 DHADMM Cn1c(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)cc2ccccc21 ZINC001598513898 992596642 /nfs/dbraw/zinc/59/66/42/992596642.db2.gz HWAWMHWLGHGROB-UHFFFAOYSA-N -1 1 308.381 3.509 20 0 DHADMM COc1ccc(CO)cc1Nc1cc(Cl)cc(Cl)c1[O-] ZINC001211526946 1015752750 /nfs/dbraw/zinc/75/27/50/1015752750.db2.gz DPVJQHNDTIGETM-UHFFFAOYSA-N -1 1 314.168 3.944 20 0 DHADMM COc1ccc(CN(C)C(=O)c2ccc(Cl)cc2[O-])cc1C ZINC000103023969 1015766812 /nfs/dbraw/zinc/76/68/12/1015766812.db2.gz XDEXSXBNFAYOOT-UHFFFAOYSA-N -1 1 319.788 3.635 20 0 DHADMM COc1ccc([C@H](C)NCc2ccc(C(=O)[O-])cc2F)cc1C ZINC001599621935 994096300 /nfs/dbraw/zinc/09/63/00/994096300.db2.gz YWFBJCAKQLTWIR-LBPRGKRZSA-N -1 1 317.360 3.692 20 0 DHADMM Cc1ccc(F)c(C(=O)[N-]c2nnc(-c3ccco3)s2)c1F ZINC000346379702 1015841670 /nfs/dbraw/zinc/84/16/70/1015841670.db2.gz FANXAYTWDOMJHB-UHFFFAOYSA-N -1 1 321.308 3.637 20 0 DHADMM C[C@H](NC1(c2cccc(F)c2)CCC1)c1cncc(C(=O)[O-])c1 ZINC001593211117 994261292 /nfs/dbraw/zinc/26/12/92/994261292.db2.gz WARQOCRMQCXIEX-LBPRGKRZSA-N -1 1 314.360 3.649 20 0 DHADMM C[C@H](N[C@@H]1CCOc2ccc(F)cc21)c1cc(C(=O)[O-])cs1 ZINC001593233906 994394881 /nfs/dbraw/zinc/39/48/81/994394881.db2.gz UKPQIBYRWCXBMQ-TVQRCGJNSA-N -1 1 321.373 3.760 20 0 DHADMM C[C@H](NC/C=C\c1ccc(Cl)cc1)c1ncc(C(=O)[O-])s1 ZINC001593256287 994519709 /nfs/dbraw/zinc/51/97/09/994519709.db2.gz GZXVWDSEXQQMDE-ZMWSMAPVSA-N -1 1 322.817 3.859 20 0 DHADMM O=C([O-])c1coc(CNCc2cccc(OC3CCCC3)c2)c1 ZINC000277107390 1015874595 /nfs/dbraw/zinc/87/45/95/1015874595.db2.gz ZVPIOYZYMSTVOX-UHFFFAOYSA-N -1 1 315.369 3.589 20 0 DHADMM C[C@@H](NCc1occc1C(=O)[O-])c1ccccc1C(F)(F)F ZINC001593317307 994818761 /nfs/dbraw/zinc/81/87/61/994818761.db2.gz OTUKTYIEDVXQLY-SECBINFHSA-N -1 1 313.275 3.847 20 0 DHADMM O=C(Nc1nc(-c2ccccc2F)co1)c1ccc([O-])c(F)c1 ZINC000684613967 1015914776 /nfs/dbraw/zinc/91/47/76/1015914776.db2.gz KRRPUHPIBNQQDP-UHFFFAOYSA-N -1 1 316.263 3.578 20 0 DHADMM C[C@H](c1cccs1)N(C)Cc1ccccc1O[C@@H](C)C(=O)[O-] ZINC001593644268 995958790 /nfs/dbraw/zinc/95/87/90/995958790.db2.gz GWPJYHFXGOGMBV-OLZOCXBDSA-N -1 1 319.426 3.793 20 0 DHADMM C[C@H](c1ccccn1)N(C)Cc1ccnc2c(C(=O)[O-])cccc12 ZINC001593716914 996233224 /nfs/dbraw/zinc/23/32/24/996233224.db2.gz FHFHTCWCRDIMAC-CYBMUJFWSA-N -1 1 321.380 3.521 20 0 DHADMM C[C@@H](c1nc(C(=O)[O-])co1)N1CCC[C@@H](C2CCCCC2)C1 ZINC001593725982 996285709 /nfs/dbraw/zinc/28/57/09/996285709.db2.gz XFBSBDXOWDAYFW-GXTWGEPZSA-N -1 1 306.406 3.726 20 0 DHADMM CC(=O)[C@H](C)CCSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000657256680 1016117630 /nfs/dbraw/zinc/11/76/30/1016117630.db2.gz DUHLRVKFSINWFL-LLVKDONJSA-N -1 1 316.426 3.865 20 0 DHADMM COCC[C@@H](N[C@@H](C)c1cc(C(=O)[O-])cs1)c1ccc(C)o1 ZINC001599218204 997619822 /nfs/dbraw/zinc/61/98/22/997619822.db2.gz OXVMNROICKWIIM-WCQYABFASA-N -1 1 323.414 3.776 20 0 DHADMM COCCCC[C@H](NCc1occc1C(=O)[O-])c1ccccc1 ZINC001599223301 997709802 /nfs/dbraw/zinc/70/98/02/997709802.db2.gz IWRXBEIQDRTILD-INIZCTEOSA-N -1 1 317.385 3.625 20 0 DHADMM C[C@@H]1CCN(Cc2ccc(/C=C\C(=O)[O-])o2)[C@H](c2ccco2)C1 ZINC001594423975 999585514 /nfs/dbraw/zinc/58/55/14/999585514.db2.gz NIOVRZGMPKEYNK-ODJAQDJBSA-N -1 1 315.369 3.944 20 0 DHADMM CC(C)(C)c1ccc(O)c(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000622456290 1016412617 /nfs/dbraw/zinc/41/26/17/1016412617.db2.gz XFESPQPDHWIKNZ-UHFFFAOYSA-N -1 1 303.333 3.787 20 0 DHADMM O=C(NC1(c2cccc(Cl)c2)CCCC1)c1cncc([O-])c1 ZINC000622445866 1016416986 /nfs/dbraw/zinc/41/69/86/1016416986.db2.gz JNFSPMWBPZEAPN-UHFFFAOYSA-N -1 1 316.788 3.640 20 0 DHADMM CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1ccc(C(=O)[O-])cc1F ZINC000563283312 1016501106 /nfs/dbraw/zinc/50/11/06/1016501106.db2.gz XUCUDMDTIVIRLE-JKSUJKDBSA-N -1 1 323.408 3.549 20 0 DHADMM Cc1nc(CNCc2ccc(C(C)(C)C)cc2)ccc1C(=O)[O-] ZINC000277525416 1016526538 /nfs/dbraw/zinc/52/65/38/1016526538.db2.gz YYFFBMSKBOBOCK-UHFFFAOYSA-N -1 1 312.413 3.676 20 0 DHADMM CN(Cc1ccccc1-c1ccccc1)C(=O)c1ncccc1[O-] ZINC000171307827 1016554629 /nfs/dbraw/zinc/55/46/29/1016554629.db2.gz HDQANNYRZYWOMD-UHFFFAOYSA-N -1 1 318.376 3.726 20 0 DHADMM CSc1ccc(C(=O)[N-]c2c(F)cc(C(C)=O)cc2F)o1 ZINC000347078707 1016728747 /nfs/dbraw/zinc/72/87/47/1016728747.db2.gz IFPKQNHAZGLMOA-UHFFFAOYSA-N -1 1 311.309 3.735 20 0 DHADMM C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684870156 1016745224 /nfs/dbraw/zinc/74/52/24/1016745224.db2.gz PQKQIJVDBKVBGW-BXKDBHETSA-N -1 1 301.308 3.720 20 0 DHADMM O=C(N[C@H]1CCCC(F)(F)C1)c1ccc2ccc(O)cc2c1[O-] ZINC000897053203 1017015534 /nfs/dbraw/zinc/01/55/34/1017015534.db2.gz CDKJKKFHRNKFKU-NSHDSACASA-N -1 1 321.323 3.559 20 0 DHADMM CC[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])[C@H](CC)CO1 ZINC000403811443 1017058182 /nfs/dbraw/zinc/05/81/82/1017058182.db2.gz HKQLRIANIKCCJO-HUUCEWRRSA-N -1 1 313.397 3.575 20 0 DHADMM O=C(Nc1ccc2c(c1)[C@H](O)CCCC2)c1ccc(F)c([O-])c1 ZINC001146453767 1032220857 /nfs/dbraw/zinc/22/08/57/1032220857.db2.gz CSZGETMAGDEPGZ-MRXNPFEDSA-N -1 1 315.344 3.543 20 0 DHADMM CCCN(C(=O)c1ccc(F)c([O-])c1)[C@@H]1C[C@H](OCC)C1(C)C ZINC001147225972 1032292329 /nfs/dbraw/zinc/29/23/29/1032292329.db2.gz CFTGZGCACHEYAA-CVEARBPZSA-N -1 1 323.408 3.587 20 0 DHADMM CC[C@@H](NC(=O)c1ccc(F)c([O-])c1)c1cc(F)ccc1F ZINC001147218977 1032293071 /nfs/dbraw/zinc/29/30/71/1032293071.db2.gz SGJGIVOLSYKUOT-CQSZACIVSA-N -1 1 309.287 3.691 20 0 DHADMM O=C(Nc1ccncc1[O-])c1ccc(OC2CCC2)cc1Cl ZINC000089487284 1032346210 /nfs/dbraw/zinc/34/62/10/1032346210.db2.gz HPWIDLWYIZFWHK-UHFFFAOYSA-N -1 1 318.760 3.624 20 0 DHADMM CC[C@H](C)C[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001147860577 1032348760 /nfs/dbraw/zinc/34/87/60/1032348760.db2.gz IBNFONKALGIRSG-VHSXEESVSA-N -1 1 303.324 3.966 20 0 DHADMM CC(C)(C)Oc1ccccc1CNC(=O)c1cc(F)ccc1[O-] ZINC001148197851 1032369628 /nfs/dbraw/zinc/36/96/28/1032369628.db2.gz AOGXWSRXWBJCGP-UHFFFAOYSA-N -1 1 317.360 3.639 20 0 DHADMM Cc1cc(F)ncc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001148790653 1032440630 /nfs/dbraw/zinc/44/06/30/1032440630.db2.gz QCHADVZPKTXVMN-UHFFFAOYSA-N -1 1 314.238 3.506 20 0 DHADMM Cc1cccnc1CNC(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148861801 1032449311 /nfs/dbraw/zinc/44/93/11/1032449311.db2.gz YTCPUOQGOJBUCB-UHFFFAOYSA-N -1 1 318.376 3.693 20 0 DHADMM C[C@@H]1CCCN(Cc2ccc(F)c(Cl)c2Cl)[C@@H]1C(=O)[O-] ZINC000424418471 1012018377 /nfs/dbraw/zinc/01/83/77/1012018377.db2.gz NNODYYDQNJZQLS-OQPBUACISA-N -1 1 320.191 3.818 20 0 DHADMM Cc1ccc2c(c1)SCCCN2C(=O)c1ccc(F)c([O-])c1 ZINC001625788762 1012212445 /nfs/dbraw/zinc/21/24/45/1012212445.db2.gz ZJYVVOLHZUREOO-UHFFFAOYSA-N -1 1 317.385 3.982 20 0 DHADMM O=C([O-])[C@@H](NCc1coc2ccccc12)c1cc(F)ccc1F ZINC000683173411 1012248503 /nfs/dbraw/zinc/24/85/03/1012248503.db2.gz MERMYSYEDSEFKX-INIZCTEOSA-N -1 1 317.291 3.627 20 0 DHADMM C[C@@H]1CC/C(=C\C(=O)Nc2ccc(Br)c([O-])c2)C1 ZINC001345039038 1012302360 /nfs/dbraw/zinc/30/23/60/1012302360.db2.gz ZLMVWSBYAIBQOB-YIXGCBLDSA-N -1 1 310.191 3.840 20 0 DHADMM CCN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)[C@@H](C)C(C)C ZINC000655090623 1012394675 /nfs/dbraw/zinc/39/46/75/1012394675.db2.gz SGPKXHZFGIHOHW-JTQLQIEISA-N -1 1 303.324 3.918 20 0 DHADMM O=c1[nH]c(-c2cc([O-])cc(F)c2)nc2cc(C(F)(F)F)ccc12 ZINC000579820893 1012416180 /nfs/dbraw/zinc/41/61/80/1012416180.db2.gz BGPTYMFRRFJMLN-UHFFFAOYSA-N -1 1 324.233 3.866 20 0 DHADMM C[C@]1(C(F)(F)F)CCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000874485151 1032650475 /nfs/dbraw/zinc/65/04/75/1032650475.db2.gz LIRBDRAKQQFQOD-INIZCTEOSA-N -1 1 323.314 3.960 20 0 DHADMM CO[C@@H](C)CO[C@@H](C)COc1cc(Cl)c([O-])cc1Cl ZINC001227644732 1017122634 /nfs/dbraw/zinc/12/26/34/1017122634.db2.gz CUDWKRGBYPSTPF-IUCAKERBSA-N -1 1 309.189 3.518 20 0 DHADMM CCC1(CC)CCCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000874626858 1032681873 /nfs/dbraw/zinc/68/18/73/1032681873.db2.gz FXWOYGBVLBGBHS-UHFFFAOYSA-N -1 1 311.809 3.849 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cnc(C4CC4)s3)n2)cc1F ZINC000350841718 1017342660 /nfs/dbraw/zinc/34/26/60/1017342660.db2.gz WJEVUAZLNXRMTA-UHFFFAOYSA-N -1 1 303.318 3.582 20 0 DHADMM CCCOc1cccc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000614791175 1017459494 /nfs/dbraw/zinc/45/94/94/1017459494.db2.gz SROQPTRFBMWLHA-UHFFFAOYSA-N -1 1 323.389 3.724 20 0 DHADMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000171013935 1017811546 /nfs/dbraw/zinc/81/15/46/1017811546.db2.gz RZYLGABHQFQFFS-AWEZNQCLSA-N -1 1 319.426 3.812 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3ccc(F)c(F)c3)n2)c(Cl)c1 ZINC000445446174 1017865562 /nfs/dbraw/zinc/86/55/62/1017865562.db2.gz CSXRAHZDAMKQQI-UHFFFAOYSA-N -1 1 322.698 3.965 20 0 DHADMM [O-]c1ccc(-c2noc(COc3cccc(F)c3)n2)c(Cl)c1 ZINC000445445998 1017866938 /nfs/dbraw/zinc/86/69/38/1017866938.db2.gz KOJGVCKUMRAJQV-UHFFFAOYSA-N -1 1 320.707 3.814 20 0 DHADMM COc1cccc([C@H](C)c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445479015 1017874709 /nfs/dbraw/zinc/87/47/09/1017874709.db2.gz UOZCCJNEULSDAW-JTQLQIEISA-N -1 1 314.316 3.742 20 0 DHADMM [O-]c1ccc(-c2noc(CCCc3cccs3)n2)cc1F ZINC000445484837 1017879514 /nfs/dbraw/zinc/87/95/14/1017879514.db2.gz XMEUPXNQPWKDRY-UHFFFAOYSA-N -1 1 304.346 3.818 20 0 DHADMM COc1ccc(-c2nc(-c3ccc(C(C)C)nc3)no2)c([O-])c1 ZINC000445501395 1017883184 /nfs/dbraw/zinc/88/31/84/1017883184.db2.gz GXZXIYOIHAOVJT-UHFFFAOYSA-N -1 1 311.341 3.636 20 0 DHADMM COc1cc(C(=O)N2CCC[C@H]2C2CCCC2)cc(Cl)c1[O-] ZINC000153634351 1017917647 /nfs/dbraw/zinc/91/76/47/1017917647.db2.gz ULQJDFYZHDNQSO-AWEZNQCLSA-N -1 1 323.820 3.849 20 0 DHADMM CC[C@@H](C)Oc1ccc(C(=O)Nc2c([O-])cccc2F)cc1 ZINC000674266432 1017926469 /nfs/dbraw/zinc/92/64/69/1017926469.db2.gz KDUTYOQCINTEQD-LLVKDONJSA-N -1 1 303.333 3.961 20 0 DHADMM CCN(C(=O)c1ncccc1[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000153651665 1017930428 /nfs/dbraw/zinc/93/04/28/1017930428.db2.gz VJMQZYNAYBVNSY-LBPRGKRZSA-N -1 1 310.353 3.757 20 0 DHADMM Cc1c([N-]S(=O)(=O)c2ccc(C3CC3)cc2)[nH]nc1C(C)C ZINC000647278612 1018149967 /nfs/dbraw/zinc/14/99/67/1018149967.db2.gz QBKAHFUEAAFZLW-UHFFFAOYSA-N -1 1 319.430 3.520 20 0 DHADMM CCCCCC[C@H](CC)C(=O)Nc1ncc(C(=O)OCC)[n-]1 ZINC001128847076 1018161216 /nfs/dbraw/zinc/16/12/16/1018161216.db2.gz MDEVMRVQFWUZIU-LBPRGKRZSA-N -1 1 309.410 3.522 20 0 DHADMM CCCCCC[C@H](CC)C(=O)Nc1nc(C(=O)OCC)c[n-]1 ZINC001128847076 1018161220 /nfs/dbraw/zinc/16/12/20/1018161220.db2.gz MDEVMRVQFWUZIU-LBPRGKRZSA-N -1 1 309.410 3.522 20 0 DHADMM CCC[C@H]1C[C@H](c2nc(-c3ccc([O-])cc3F)no2)CCO1 ZINC000278126675 1018175360 /nfs/dbraw/zinc/17/53/60/1018175360.db2.gz JVFIEQAQORXSIQ-PWSUYJOCSA-N -1 1 306.337 3.644 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1cncc(-c2ccccc2)c1 ZINC000675143899 1018268606 /nfs/dbraw/zinc/26/86/06/1018268606.db2.gz SYHMRRKLDKOPFN-UHFFFAOYSA-N -1 1 308.312 3.846 20 0 DHADMM FC(F)(F)c1nsc([N-]c2csc3ccccc23)n1 ZINC000583339175 1018357057 /nfs/dbraw/zinc/35/70/57/1018357057.db2.gz XIDMDHAWCUPTQA-UHFFFAOYSA-N -1 1 301.318 3.937 20 0 DHADMM O=C([N-]Oc1ccccc1F)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000874912850 1032758718 /nfs/dbraw/zinc/75/87/18/1032758718.db2.gz UAXVCAQRSKPDSO-ZJUUUORDSA-N -1 1 305.271 3.604 20 0 DHADMM CC(C)n1nc(-c2ccco2)cc1NC(=O)c1ccccc1[O-] ZINC000447859556 1018493722 /nfs/dbraw/zinc/49/37/22/1018493722.db2.gz XCYPMYJZUFHTEJ-UHFFFAOYSA-N -1 1 311.341 3.682 20 0 DHADMM Cc1cccc([C@@H]([N-]c2nnc(C3CC3)o2)c2ccccn2)c1 ZINC000278288050 1018519078 /nfs/dbraw/zinc/51/90/78/1018519078.db2.gz FYFXQCGETUIVIA-MRXNPFEDSA-N -1 1 306.369 3.852 20 0 DHADMM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1cc(F)ccc1[O-] ZINC000385796281 1018791620 /nfs/dbraw/zinc/79/16/20/1018791620.db2.gz QTSGSIFQRMJMOP-ZDUSSCGKSA-N -1 1 313.372 3.972 20 0 DHADMM O=C(NOCc1ccc(F)cc1)c1ccc2ccccc2c1[O-] ZINC000186477518 1018828775 /nfs/dbraw/zinc/82/87/75/1018828775.db2.gz CVUUFLMBVXRPIM-UHFFFAOYSA-N -1 1 311.312 3.546 20 0 DHADMM CSc1ccccc1CN(C)C(=O)c1c(F)ccc([O-])c1F ZINC000584021156 1018866250 /nfs/dbraw/zinc/86/62/50/1018866250.db2.gz IVYXAUCEIRBHOD-UHFFFAOYSA-N -1 1 323.364 3.665 20 0 DHADMM Cc1oc(CNCc2ccc(C(F)(F)F)cc2)cc1C(=O)[O-] ZINC000318046326 1018920724 /nfs/dbraw/zinc/92/07/24/1018920724.db2.gz NYHDPJMWJXINIS-UHFFFAOYSA-N -1 1 313.275 3.595 20 0 DHADMM COc1ccc(CCNC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000017154902 1018923222 /nfs/dbraw/zinc/92/32/22/1018923222.db2.gz LDKHFBCIEOGJGA-UHFFFAOYSA-N -1 1 321.376 3.527 20 0 DHADMM O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1coc(-c2cccs2)n1 ZINC000315564934 1032797277 /nfs/dbraw/zinc/79/72/77/1032797277.db2.gz GDUKCOWGABUYJQ-CYBMUJFWSA-N -1 1 320.414 3.622 20 0 DHADMM O=C([O-])CC[C@H]1CCCCN1Cc1coc(-c2cccs2)n1 ZINC000315564934 1032797290 /nfs/dbraw/zinc/79/72/90/1032797290.db2.gz GDUKCOWGABUYJQ-CYBMUJFWSA-N -1 1 320.414 3.622 20 0 DHADMM CC(C)(C)C(C)(C)NC(=O)c1ccc(Br)c([O-])c1 ZINC000386493321 1018962248 /nfs/dbraw/zinc/96/22/48/1018962248.db2.gz KEIFZUXCQYJKQJ-UHFFFAOYSA-N -1 1 314.223 3.709 20 0 DHADMM O=C(Cc1coc2cc(F)ccc12)Nc1cccc(F)c1[O-] ZINC001171632805 1032799171 /nfs/dbraw/zinc/79/91/71/1032799171.db2.gz QCJCGESDFQSECX-UHFFFAOYSA-N -1 1 303.264 3.598 20 0 DHADMM CN(Cc1ccc(F)cc1F)C(=O)c1cc(Cl)ccc1[O-] ZINC000022901000 1018975970 /nfs/dbraw/zinc/97/59/70/1018975970.db2.gz XKGRCANQACRHFL-UHFFFAOYSA-N -1 1 311.715 3.596 20 0 DHADMM Nc1cc(C(F)(F)F)cnc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214482743 1018995425 /nfs/dbraw/zinc/99/54/25/1018995425.db2.gz LLUZYPKSGKSBSD-UHFFFAOYSA-N -1 1 321.661 3.924 20 0 DHADMM CC(C)[C@H](NCc1ccc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000113401607 1019279043 /nfs/dbraw/zinc/27/90/43/1019279043.db2.gz CXVDGTFTAKTSCW-HNNXBMFYSA-N -1 1 307.777 3.799 20 0 DHADMM C[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[C@H](CNC(=O)[O-])C1 ZINC000739054392 1019367435 /nfs/dbraw/zinc/36/74/35/1019367435.db2.gz RFURWATXYSOIAF-VHSXEESVSA-N -1 1 317.216 3.644 20 0 DHADMM C[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)CC[C@@H]1C(=O)[O-] ZINC000311510119 1019561078 /nfs/dbraw/zinc/56/10/78/1019561078.db2.gz BWYFIMDZSGXMFK-ONGXEEELSA-N -1 1 302.201 3.536 20 0 DHADMM Cc1csc(CCCCNC(=O)c2c([O-])cccc2Cl)n1 ZINC000727176545 1019657909 /nfs/dbraw/zinc/65/79/09/1019657909.db2.gz VFVDRIHMDCCPNI-UHFFFAOYSA-N -1 1 324.833 3.563 20 0 DHADMM CC(C)(C)C[C@H](NC(=O)c1cncc([O-])c1)c1ccc(F)cc1 ZINC000348798092 1019785622 /nfs/dbraw/zinc/78/56/22/1019785622.db2.gz GUFKGLDURNMKEX-INIZCTEOSA-N -1 1 316.376 3.834 20 0 DHADMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)cc1 ZINC000064467862 1019861930 /nfs/dbraw/zinc/86/19/30/1019861930.db2.gz ZHLDWHIZFSMQEV-UHFFFAOYSA-N -1 1 311.403 3.657 20 0 DHADMM O=C1c2ccccc2N[C@H](c2ccc([O-])c(Cl)c2)N1C1CC1 ZINC000065887946 1019933489 /nfs/dbraw/zinc/93/34/89/1019933489.db2.gz AGYRLFKZRPFZIU-INIZCTEOSA-N -1 1 314.772 3.775 20 0 DHADMM COc1ccc(C(=O)Nc2cccc(-c3ncc(C)o3)c2)c([O-])c1 ZINC000066810964 1019961339 /nfs/dbraw/zinc/96/13/39/1019961339.db2.gz LXNAFEFSLSTDQM-UHFFFAOYSA-N -1 1 324.336 3.617 20 0 DHADMM Cc1ccc2c(c1)[C@H](NC(=O)c1c([O-])cccc1Cl)CC2 ZINC000730287329 1019969758 /nfs/dbraw/zinc/96/97/58/1019969758.db2.gz QJWSFDNLYQOORY-CQSZACIVSA-N -1 1 301.773 3.771 20 0 DHADMM CCCCOCC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000628233388 1020061545 /nfs/dbraw/zinc/06/15/45/1020061545.db2.gz ZGKQXOQSNGJOCJ-UHFFFAOYSA-N -1 1 307.777 3.954 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000111666320 1020148628 /nfs/dbraw/zinc/14/86/28/1020148628.db2.gz SKBIKNLNHJRNIQ-QWHCGFSZSA-N -1 1 305.736 3.927 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(-c2ccccc2)on1 ZINC000111667662 1020149061 /nfs/dbraw/zinc/14/90/61/1020149061.db2.gz HELGXMAWZCJARA-UHFFFAOYSA-N -1 1 314.728 3.953 20 0 DHADMM O=C(/C=C\c1ccc2[nH]ccc2c1)Nc1cc(F)cc(F)c1[O-] ZINC001626858406 1020164262 /nfs/dbraw/zinc/16/42/62/1020164262.db2.gz OIBIAWAZCIMDGD-RQOWECAXSA-N -1 1 314.291 3.804 20 0 DHADMM Cc1nc(-c2ccc(NC[C@]3(C)C[C@H]4C[C@H]4C3)nc2)[n-]c(=O)c1C ZINC000624656907 1020291386 /nfs/dbraw/zinc/29/13/86/1020291386.db2.gz BZSYXMUGZBVBNO-CCWDJLKJSA-N -1 1 324.428 3.709 20 0 DHADMM CC(C)S(=O)(=O)[N-]c1cc(Cl)ccc1C(F)(F)F ZINC001252513968 1032890138 /nfs/dbraw/zinc/89/01/38/1032890138.db2.gz QSQUEDHYDQZZQK-UHFFFAOYSA-N -1 1 301.717 3.509 20 0 DHADMM O=C(Nc1cccc(Cl)c1O)c1ccc2[n-]c(=S)oc2c1 ZINC000179722501 1020436668 /nfs/dbraw/zinc/43/66/68/1020436668.db2.gz SGNMDQJSSBELKT-UHFFFAOYSA-N -1 1 320.757 3.728 20 0 DHADMM C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2)C[C@@H]1C(=O)[O-] ZINC000647460662 1020441614 /nfs/dbraw/zinc/44/16/14/1020441614.db2.gz GSCKVKYWUTWQOV-RNCFNFMXSA-N -1 1 302.201 3.536 20 0 DHADMM O=C(NCc1ccc(C(F)F)cc1)c1c([O-])cccc1Cl ZINC000765835661 1020461494 /nfs/dbraw/zinc/46/14/94/1020461494.db2.gz BMBNFBCDPBXDNW-UHFFFAOYSA-N -1 1 311.715 3.913 20 0 DHADMM Oc1cc(C(F)(F)F)ccc1[N-]c1nnc(-c2ccco2)o1 ZINC001212628623 1032905729 /nfs/dbraw/zinc/90/57/29/1032905729.db2.gz AFVDMGFBVBNUDC-UHFFFAOYSA-N -1 1 311.219 3.798 20 0 DHADMM [O-]c1ccc(-c2noc(C3([C@@H]4CCCCO4)CCC3)n2)cc1F ZINC000866975946 1020504281 /nfs/dbraw/zinc/50/42/81/1020504281.db2.gz HGCKSFMZNXVWLV-AWEZNQCLSA-N -1 1 318.348 3.572 20 0 DHADMM CC(=O)c1cc(-c2nc(-c3cccc(Cl)c3Cl)no2)n[n-]1 ZINC001212429488 1020506664 /nfs/dbraw/zinc/50/66/64/1020506664.db2.gz HCPFRNOAENNRTA-UHFFFAOYSA-N -1 1 323.139 3.636 20 0 DHADMM CC(=O)c1cc(-c2nc(-c3cccc(Cl)c3Cl)no2)[n-]n1 ZINC001212429488 1020506669 /nfs/dbraw/zinc/50/66/69/1020506669.db2.gz HCPFRNOAENNRTA-UHFFFAOYSA-N -1 1 323.139 3.636 20 0 DHADMM Cc1nc(-c2ccc(NC[C@H]3CCCC34CC4)nc2)[n-]c(=O)c1C ZINC000624757086 1020552849 /nfs/dbraw/zinc/55/28/49/1020552849.db2.gz LTSRAZIVAIGFLR-OAHLLOKOSA-N -1 1 324.428 3.853 20 0 DHADMM O=C([N-]c1nc(C2CC2)no1)c1ccc(-c2ccccc2F)o1 ZINC000734879088 1020670508 /nfs/dbraw/zinc/67/05/08/1020670508.db2.gz RTCMMQGVJCZCBF-UHFFFAOYSA-N -1 1 313.288 3.598 20 0 DHADMM O=c1nc(NC[C@H]2CCC[C@@H]2c2ccccc2)cc(Cl)[n-]1 ZINC000858558254 1032943229 /nfs/dbraw/zinc/94/32/29/1032943229.db2.gz LVJCPAAXFXFKSS-CHWSQXEVSA-N -1 1 303.793 3.831 20 0 DHADMM [O-]c1c(Cl)nccc1Nc1ccc(C(F)(F)F)cc1O ZINC001212632330 1032950367 /nfs/dbraw/zinc/95/03/67/1032950367.db2.gz TZKNLMKACTVZJO-UHFFFAOYSA-N -1 1 304.655 3.909 20 0 DHADMM CCc1noc(-c2ccc(C)c(NC(=O)c3ccccc3[O-])c2)n1 ZINC000176752528 1021159971 /nfs/dbraw/zinc/15/99/71/1021159971.db2.gz UDKDSAYPOHONHZ-UHFFFAOYSA-N -1 1 323.352 3.565 20 0 DHADMM Cc1ccc(C(=O)Nc2c([O-])cccc2F)cc1-n1cccc1 ZINC000743416299 1021290884 /nfs/dbraw/zinc/29/08/84/1021290884.db2.gz QBPKRLIOTQDWTL-UHFFFAOYSA-N -1 1 310.328 3.883 20 0 DHADMM O=C(c1ccc(Br)cc1[O-])N1CCC2(CCCC2)C1 ZINC000174848510 1021303615 /nfs/dbraw/zinc/30/36/15/1021303615.db2.gz QIXJOSLXUOJGLY-UHFFFAOYSA-N -1 1 324.218 3.561 20 0 DHADMM O=C(NCC1(C2CC2)CCC1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000670419657 1021391547 /nfs/dbraw/zinc/39/15/47/1021391547.db2.gz TXWNPCPWSBZZIJ-UHFFFAOYSA-N -1 1 313.319 3.721 20 0 DHADMM Cc1nc(SC[C@@H]2CCC3(CCC3)CO2)[n-]c(=O)c1C1CC1 ZINC000918464273 1021526226 /nfs/dbraw/zinc/52/62/26/1021526226.db2.gz YJGMYIFHGZUJOJ-ZDUSSCGKSA-N -1 1 320.458 3.809 20 0 DHADMM O=C(c1ccc([O-])cc1F)N(Cc1ccco1)C1CCCC1 ZINC000181905329 1021529867 /nfs/dbraw/zinc/52/98/67/1021529867.db2.gz BWIMYPBYXYHCMT-UHFFFAOYSA-N -1 1 303.333 3.709 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccccc2Cl)c1 ZINC000744475805 1021556333 /nfs/dbraw/zinc/55/63/33/1021556333.db2.gz UOPGYSLQQZCHJM-UHFFFAOYSA-N -1 1 318.756 3.648 20 0 DHADMM C[C@@H]1CCc2[n-]n(Cc3cccc(Br)c3)c(=O)c2C1 ZINC000634613857 1021593283 /nfs/dbraw/zinc/59/32/83/1021593283.db2.gz KLYAIDMAADCSQW-ZWNOBZJWSA-N -1 1 321.218 3.584 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C=C(C)c2ccccc2)c1 ZINC000744827336 1021609598 /nfs/dbraw/zinc/60/95/98/1021609598.db2.gz CKBOCQCGATYWRA-WYMLVPIESA-N -1 1 324.376 3.784 20 0 DHADMM Cc1ccc2c(c1)CCN2C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000776490224 1021640358 /nfs/dbraw/zinc/64/03/58/1021640358.db2.gz AIALIJVAQWWQCM-UHFFFAOYSA-N -1 1 321.298 3.922 20 0 DHADMM CC(C)[C@H](NC(=O)c1cncc([O-])c1)c1ccc(Cl)cc1 ZINC000111776234 1021670862 /nfs/dbraw/zinc/67/08/62/1021670862.db2.gz IWFCIBVWLNDEMB-HNNXBMFYSA-N -1 1 304.777 3.568 20 0 DHADMM O=C(Nc1ccc(Nc2ccccc2)cc1)c1cncc([O-])c1 ZINC000109936473 1021849582 /nfs/dbraw/zinc/84/95/82/1021849582.db2.gz MWTLKKFYWNDPSF-UHFFFAOYSA-N -1 1 305.337 3.783 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)/C=C/c2ccco2)c1 ZINC000182909782 1021857201 /nfs/dbraw/zinc/85/72/01/1021857201.db2.gz FHJKRSNWRXJZIJ-SNAWJCMRSA-N -1 1 322.158 3.708 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)C2CC(C)(C)C2)c1 ZINC000556970105 1021987022 /nfs/dbraw/zinc/98/70/22/1021987022.db2.gz VNOUAFPAZPLWEB-UHFFFAOYSA-N -1 1 312.207 3.838 20 0 DHADMM Nc1ccc2nn(-c3c(Cl)ccc([O-])c3F)c(Cl)c2c1 ZINC001214559900 1022036838 /nfs/dbraw/zinc/03/68/38/1022036838.db2.gz VBTLSQWRPUBPNQ-UHFFFAOYSA-N -1 1 312.131 3.759 20 0 DHADMM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1ccc(F)c(F)c1F ZINC000746438347 1022090384 /nfs/dbraw/zinc/09/03/84/1022090384.db2.gz BKUUUCLTDNLOLQ-UHFFFAOYSA-N -1 1 324.180 3.671 20 0 DHADMM CSc1ncc(C)c(-c2ccc([O-])c(C(F)(F)F)c2)n1 ZINC001242151372 1022100081 /nfs/dbraw/zinc/10/00/81/1022100081.db2.gz KSZKLIBCIZMFHT-UHFFFAOYSA-N -1 1 300.305 3.898 20 0 DHADMM COc1cccc([C@H](C)NC(=O)c2c([O-])cccc2Cl)c1 ZINC000920445249 1022121682 /nfs/dbraw/zinc/12/16/82/1022121682.db2.gz UYKDSFXUSDCYNM-JTQLQIEISA-N -1 1 305.761 3.545 20 0 DHADMM CCC[C@H]1CCC[C@H]1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001168921839 1022184128 /nfs/dbraw/zinc/18/41/28/1022184128.db2.gz GEROPRNHYCOGND-XJKSGUPXSA-N -1 1 313.401 3.733 20 0 DHADMM CCC[C@@](C)(CC)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001168915252 1022184612 /nfs/dbraw/zinc/18/46/12/1022184612.db2.gz SDPXHRWGCSBLBW-QGZVFWFLSA-N -1 1 301.390 3.733 20 0 DHADMM N#Cc1ccsc1C(=O)[N-]c1c2nsnc2ccc1Cl ZINC000181260788 1022201320 /nfs/dbraw/zinc/20/13/20/1022201320.db2.gz JTZDGOANIJGHDQ-UHFFFAOYSA-N -1 1 320.786 3.530 20 0 DHADMM CC(C)c1cccc(CN[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000853033660 1022204501 /nfs/dbraw/zinc/20/45/01/1022204501.db2.gz SJKDUWGAHIGLLM-KRWDZBQOSA-N -1 1 301.361 3.865 20 0 DHADMM CC(C)N(CC1CCC1)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876395417 1033036937 /nfs/dbraw/zinc/03/69/37/1033036937.db2.gz IFVAWPTYHAUUPA-UHFFFAOYSA-N -1 1 310.825 3.766 20 0 DHADMM C[C@@H](C1CC1)N(C(=O)NCc1ccc([O-])c(Cl)c1)C1CC1 ZINC000876394569 1033037298 /nfs/dbraw/zinc/03/72/98/1033037298.db2.gz XTIOVARKJYEQMB-JTQLQIEISA-N -1 1 308.809 3.518 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c(F)c1 ZINC000404937619 1022226389 /nfs/dbraw/zinc/22/63/89/1022226389.db2.gz CUDNHEYHMNAQCI-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM COc1cc(C(=O)Nc2cccc(F)c2C)cc(Cl)c1[O-] ZINC000153934290 1022264230 /nfs/dbraw/zinc/26/42/30/1022264230.db2.gz UXLJHDKYMACMNG-UHFFFAOYSA-N -1 1 309.724 3.754 20 0 DHADMM O=C(NCC1(c2cccc(Cl)c2)CC1)c1ccc([O-])cc1F ZINC000154916019 1022344789 /nfs/dbraw/zinc/34/47/89/1022344789.db2.gz VHEPSWPEYSITPP-UHFFFAOYSA-N -1 1 319.763 3.646 20 0 DHADMM CCC(=O)Nc1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000111666517 1022363003 /nfs/dbraw/zinc/36/30/03/1022363003.db2.gz NIUHKMKXHYNVBX-UHFFFAOYSA-N -1 1 318.760 3.646 20 0 DHADMM CC(=O)Nc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)ccc1C ZINC000111667361 1022363287 /nfs/dbraw/zinc/36/32/87/1022363287.db2.gz XGFOFBPTYUVKLB-UHFFFAOYSA-N -1 1 318.760 3.565 20 0 DHADMM CO[C@@H](CSc1nc(-c2ccccc2)cc(=O)[n-]1)C1CCC1 ZINC000901615893 1022384961 /nfs/dbraw/zinc/38/49/61/1022384961.db2.gz KALNMONCAMFJOP-HNNXBMFYSA-N -1 1 316.426 3.756 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1[C@H]1CCCC1=O ZINC000272144112 1022492125 /nfs/dbraw/zinc/49/21/25/1022492125.db2.gz DXIXOBDKOXLQNB-NVXWUHKLSA-N -1 1 323.392 3.519 20 0 DHADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(C)c2Cl)c1F ZINC000313204425 1022527506 /nfs/dbraw/zinc/52/75/06/1022527506.db2.gz FSBUKJNIJDVPEV-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000157516387 1022553494 /nfs/dbraw/zinc/55/34/94/1022553494.db2.gz HXKQMZDATRJCHF-UHFFFAOYSA-N -1 1 315.316 3.522 20 0 DHADMM COC(=O)c1c(C)cc(Nc2cc([O-])c(F)c(F)c2)cc1C ZINC001213123839 1022599827 /nfs/dbraw/zinc/59/98/27/1022599827.db2.gz KZDCPJRCGYCAPX-UHFFFAOYSA-N -1 1 307.296 3.817 20 0 DHADMM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000276152277 1022623823 /nfs/dbraw/zinc/62/38/23/1022623823.db2.gz DCJYHVYJITUHGF-NSHDSACASA-N -1 1 321.726 3.849 20 0 DHADMM CC(C)[C@H]1N(C(=O)c2ncc3ccccc3c2[O-])CC12CC=CC2 ZINC000616493483 1022736987 /nfs/dbraw/zinc/73/69/87/1022736987.db2.gz MXAYHXUWRLSETG-GOSISDBHSA-N -1 1 322.408 3.757 20 0 DHADMM Cc1ccc2c(Cc3noc(-c4ccc([O-])cc4F)n3)c[nH]c2c1 ZINC000776883173 1022803863 /nfs/dbraw/zinc/80/38/63/1022803863.db2.gz VFRBEDTZNUSQLI-UHFFFAOYSA-N -1 1 323.327 3.962 20 0 DHADMM O=C([N-]Nc1c(F)cccc1Cl)C(F)(F)c1ccccc1 ZINC000184669462 1023058727 /nfs/dbraw/zinc/05/87/27/1023058727.db2.gz BQYLHRUNOCBNAC-UHFFFAOYSA-N -1 1 314.694 3.714 20 0 DHADMM Cc1ccccc1C(C)(C)CNC(=O)c1c([O-])cccc1F ZINC000622343004 1023114840 /nfs/dbraw/zinc/11/48/40/1023114840.db2.gz MJLJEQOBVKKHSA-UHFFFAOYSA-N -1 1 301.361 3.547 20 0 DHADMM CCC(CC)n1nc(C(=O)Nc2nc(Cl)ccc2[O-])cc1C ZINC000194581316 1023177845 /nfs/dbraw/zinc/17/78/45/1023177845.db2.gz BLIICPCNXRLBCE-UHFFFAOYSA-N -1 1 322.796 3.559 20 0 DHADMM C[C@H]1CCCC[C@H]1CNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001626288724 1023207621 /nfs/dbraw/zinc/20/76/21/1023207621.db2.gz KDGUMWGAXPZFOK-JSGCOSHPSA-N -1 1 313.397 3.807 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000769830066 1023225899 /nfs/dbraw/zinc/22/58/99/1023225899.db2.gz CJCAIVYJEXHYNX-OAHLLOKOSA-N -1 1 321.298 3.787 20 0 DHADMM Cc1ccc(-c2noc(-c3ccc4ccccc4c3[O-])n2)c(=O)[nH]1 ZINC000771131171 1023401394 /nfs/dbraw/zinc/40/13/94/1023401394.db2.gz MFUFKGGBRYHOLS-UHFFFAOYSA-N -1 1 319.320 3.671 20 0 DHADMM Cc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)c(Cl)n1 ZINC000771212325 1023411027 /nfs/dbraw/zinc/41/10/27/1023411027.db2.gz SIYOERQXVRSIKM-UHFFFAOYSA-N -1 1 305.696 3.605 20 0 DHADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1nc(C(C)(C)C)cs1 ZINC000123495129 1023477534 /nfs/dbraw/zinc/47/75/34/1023477534.db2.gz RTKYHSJSYGZAFQ-SECBINFHSA-N -1 1 322.405 3.776 20 0 DHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCCC(F)(F)CC1 ZINC000628633759 1023529299 /nfs/dbraw/zinc/52/92/99/1023529299.db2.gz SDCCYNNKCGVPBS-UHFFFAOYSA-N -1 1 323.261 3.672 20 0 DHADMM O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1c([O-])cccc1Cl ZINC000772540701 1023565292 /nfs/dbraw/zinc/56/52/92/1023565292.db2.gz GXESOFOEYNOIBY-XGWLTEMNSA-N -1 1 313.784 3.504 20 0 DHADMM Cc1ccc(Oc2ccc(NC(=O)c3cncc([O-])c3)cc2)nc1 ZINC000786171157 1023669505 /nfs/dbraw/zinc/66/95/05/1023669505.db2.gz MXMXMIVVGNFGFK-UHFFFAOYSA-N -1 1 321.336 3.535 20 0 DHADMM CCc1ccc(C(=O)N2CCCc3cc(OC)ccc32)c([O-])c1 ZINC000786722192 1023722975 /nfs/dbraw/zinc/72/29/75/1023722975.db2.gz IUYRJZQEGFRGRS-UHFFFAOYSA-N -1 1 311.381 3.556 20 0 DHADMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000048652992 1023801578 /nfs/dbraw/zinc/80/15/78/1023801578.db2.gz IHMKMFKPBSPPHK-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1c1ccccn1 ZINC000538743487 1033163558 /nfs/dbraw/zinc/16/35/58/1033163558.db2.gz IHQYCMSLTXBKMC-GOSISDBHSA-N -1 1 318.376 3.918 20 0 DHADMM C[C@@]1(F)CCCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000452209532 1024013307 /nfs/dbraw/zinc/01/33/07/1024013307.db2.gz SAUDPCXQBZLUJD-MRXNPFEDSA-N -1 1 322.767 3.558 20 0 DHADMM C[C@H](C(=O)Nc1nc(Cl)ccc1[O-])c1ccc(Cl)s1 ZINC000789929999 1024183991 /nfs/dbraw/zinc/18/39/91/1024183991.db2.gz MGMHLIBPIXRCPV-LURJTMIESA-N -1 1 317.197 3.898 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc3ccncc32)c(C)c1 ZINC000531527561 1024196519 /nfs/dbraw/zinc/19/65/19/1024196519.db2.gz KTIFWPCMDHGXMC-UHFFFAOYSA-N -1 1 312.394 3.652 20 0 DHADMM CC(C)OCc1ccc(C(=O)Nc2nc(Cl)ccc2[O-])cc1 ZINC000790047984 1024212640 /nfs/dbraw/zinc/21/26/40/1024212640.db2.gz OMSMJFUPPCKAPV-UHFFFAOYSA-N -1 1 320.776 3.618 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000269029976 1024226548 /nfs/dbraw/zinc/22/65/48/1024226548.db2.gz MDGDHAWLEMWADG-DTWKUNHWSA-N -1 1 305.271 3.839 20 0 DHADMM O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1[O-] ZINC000531756471 1024302151 /nfs/dbraw/zinc/30/21/51/1024302151.db2.gz UIFWZBNYOAOTER-UHFFFAOYSA-N -1 1 313.250 3.731 20 0 DHADMM C[C@H](CCOc1ccccc1)C(=O)Nc1ccc(F)cc1[O-] ZINC000531755821 1024302558 /nfs/dbraw/zinc/30/25/58/1024302558.db2.gz BWGRJSZMWOSCQZ-GFCCVEGCSA-N -1 1 303.333 3.575 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N(CC(F)(F)F)C1CC1 ZINC000314706266 1024352441 /nfs/dbraw/zinc/35/24/41/1024352441.db2.gz SIEOEPQHSSGOMC-UHFFFAOYSA-N -1 1 309.287 3.712 20 0 DHADMM O=C(Nc1ccc(Cl)cc1[O-])c1csc([C@H]2CCCO2)n1 ZINC000270238678 1024369941 /nfs/dbraw/zinc/36/99/41/1024369941.db2.gz NOUSEKDJOCIQIB-GFCCVEGCSA-N -1 1 324.789 3.606 20 0 DHADMM Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(F)cc2[O-])c1 ZINC000532266450 1024593014 /nfs/dbraw/zinc/59/30/14/1024593014.db2.gz CXYYUVQOTKUARF-UHFFFAOYSA-N -1 1 317.360 3.981 20 0 DHADMM Cc1cccc(-c2cccc(CNC(=O)c3cncc([O-])c3)c2)c1 ZINC000348842871 1024629448 /nfs/dbraw/zinc/62/94/48/1024629448.db2.gz MAIJQOVXEBIZOK-UHFFFAOYSA-N -1 1 318.376 3.693 20 0 DHADMM CCc1noc(C)c1C(=O)[N-]c1c(C)noc1-c1ccccc1 ZINC000349490840 1024722171 /nfs/dbraw/zinc/72/21/71/1024722171.db2.gz HWNQMSXKJBUNSQ-UHFFFAOYSA-N -1 1 311.341 3.761 20 0 DHADMM O=C(NCc1ccsc1C(F)(F)F)c1ccc([O-])c(F)c1 ZINC001170309831 1024748535 /nfs/dbraw/zinc/74/85/35/1024748535.db2.gz DKFQBDURWMOOGO-UHFFFAOYSA-N -1 1 319.279 3.542 20 0 DHADMM C[C@@H]1c2ccccc2CN1C(=O)c1c([O-])cnc2c(F)cccc21 ZINC001167855882 1024825161 /nfs/dbraw/zinc/82/51/61/1024825161.db2.gz ZWTCVQTWDARTGU-LLVKDONJSA-N -1 1 322.339 3.797 20 0 DHADMM Cc1cc(F)ccc1[C@H](C)NC(=O)c1c(F)ccc([O-])c1F ZINC001303406165 1024938907 /nfs/dbraw/zinc/93/89/07/1024938907.db2.gz RGNJBJDKHMUDAO-VIFPVBQESA-N -1 1 309.287 3.609 20 0 DHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1CCCC2(CC2)C1 ZINC000666315167 1024941983 /nfs/dbraw/zinc/94/19/83/1024941983.db2.gz UBCXCYZSJRHHRM-ZDUSSCGKSA-N -1 1 311.385 3.691 20 0 DHADMM CC(C)CCCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000648490574 1025024329 /nfs/dbraw/zinc/02/43/29/1025024329.db2.gz NWZTVBZOAUKXNI-UHFFFAOYSA-N -1 1 317.429 3.640 20 0 DHADMM COc1nnc(-c2ccc(Cl)c([O-])c2)cc1C(F)(F)F ZINC001243577903 1025156664 /nfs/dbraw/zinc/15/66/64/1025156664.db2.gz CKHNQQQGUBAVLL-UHFFFAOYSA-N -1 1 304.655 3.530 20 0 DHADMM O=C([N-]c1cnoc1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000623940715 1025213526 /nfs/dbraw/zinc/21/35/26/1025213526.db2.gz MPOQEVMJRXSUBJ-UHFFFAOYSA-N -1 1 305.746 3.704 20 0 DHADMM Cc1ccc(CO[C@@H](C)C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC001137674261 1025214408 /nfs/dbraw/zinc/21/44/08/1025214408.db2.gz MWCPGAPNVXPWGE-LBPRGKRZSA-N -1 1 319.788 3.898 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1ccc(OC(F)F)c(F)c1 ZINC000645926883 1025315745 /nfs/dbraw/zinc/31/57/45/1025315745.db2.gz GSXNMBWHEFIFBB-UHFFFAOYSA-N -1 1 315.222 3.524 20 0 DHADMM CC(C)(C)c1ncc(CN[C@H](CC(=O)[O-])c2ccsc2)s1 ZINC000354356825 1025413361 /nfs/dbraw/zinc/41/33/61/1025413361.db2.gz GKERRBIMVWDTSM-GFCCVEGCSA-N -1 1 324.471 3.808 20 0 DHADMM CCn1c(C)cc(C([O-])=C[S@](=O)Cc2ccccc2C)c1C ZINC000124852757 1025446007 /nfs/dbraw/zinc/44/60/07/1025446007.db2.gz MMCGEEXCOPIPLE-QFIPXVFZSA-N -1 1 317.454 3.565 20 0 DHADMM O=C([N-]c1nnc(C(F)F)s1)c1occc1-c1ccccc1 ZINC000354525179 1025449546 /nfs/dbraw/zinc/44/95/46/1025449546.db2.gz YNKAYKUWRRUHBY-UHFFFAOYSA-N -1 1 321.308 3.988 20 0 DHADMM CC[C@@H](C)c1ccc(OS(=O)(=O)c2cnc(C(C)C)[n-]2)cc1 ZINC000747232716 1025545893 /nfs/dbraw/zinc/54/58/93/1025545893.db2.gz AEELHXNRXSLRND-GFCCVEGCSA-N -1 1 322.430 3.814 20 0 DHADMM CC[C@@H](C)c1ccc(OS(=O)(=O)c2c[n-]c(C(C)C)n2)cc1 ZINC000747232716 1025545904 /nfs/dbraw/zinc/54/59/04/1025545904.db2.gz AEELHXNRXSLRND-GFCCVEGCSA-N -1 1 322.430 3.814 20 0 DHADMM CCOC(=O)c1csc(/C=C/c2ccc([O-])c(Cl)c2)n1 ZINC000806562034 1025923417 /nfs/dbraw/zinc/92/34/17/1025923417.db2.gz BIOVHDPZGJYODR-GQCTYLIASA-N -1 1 309.774 3.849 20 0 DHADMM C[C@@H]1CC(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)C[C@@H](C)C1 ZINC000356332963 1026025149 /nfs/dbraw/zinc/02/51/49/1026025149.db2.gz FRNHJGBXKDTNJI-RYUDHWBXSA-N -1 1 313.401 3.793 20 0 DHADMM C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2Cl)C[C@H](C)C1(F)F ZINC000629363235 1026045542 /nfs/dbraw/zinc/04/55/42/1026045542.db2.gz CCHIBDBOZFEHDH-UWVGGRQHSA-N -1 1 317.763 3.761 20 0 DHADMM Cc1ccc(NC(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)c(C)c1 ZINC001202740758 1026177032 /nfs/dbraw/zinc/17/70/32/1026177032.db2.gz QUFIGSRAGWDUOF-UHFFFAOYSA-N -1 1 322.368 3.839 20 0 DHADMM CC1(C)C[C@@H](NC(=O)c2c(F)ccc([O-])c2F)c2ccccc21 ZINC000289907270 1026228700 /nfs/dbraw/zinc/22/87/00/1026228700.db2.gz USZWUXYEYLRHSZ-CYBMUJFWSA-N -1 1 317.335 3.823 20 0 DHADMM CCCC[C@@H](NCc1ccc(-c2ccc(C)cc2)o1)C(=O)[O-] ZINC000262727114 1026516852 /nfs/dbraw/zinc/51/68/52/1026516852.db2.gz ZWOIWSCNRUXXRQ-MRXNPFEDSA-N -1 1 301.386 3.988 20 0 DHADMM Cc1ccc(Cc2nc(-c3ccc([O-])cc3F)no2)c(Cl)n1 ZINC000809469767 1026533468 /nfs/dbraw/zinc/53/34/68/1026533468.db2.gz JAOBJTGUCXRWEO-UHFFFAOYSA-N -1 1 319.723 3.529 20 0 DHADMM CC[C@H](OC1CCCC1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000420495458 1026823400 /nfs/dbraw/zinc/82/34/00/1026823400.db2.gz VCYJSOGRTINJEU-AWEZNQCLSA-N -1 1 306.337 3.992 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H](CC(F)(F)F)C1 ZINC000421941420 1027086623 /nfs/dbraw/zinc/08/66/23/1027086623.db2.gz NMJNTRYRFXMOOT-VIFPVBQESA-N -1 1 321.726 3.850 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@H](CC(F)(F)F)C1 ZINC000421939412 1027087771 /nfs/dbraw/zinc/08/77/71/1027087771.db2.gz LMIRHBKBDIQUTR-SECBINFHSA-N -1 1 321.726 3.850 20 0 DHADMM CC(C)c1nsc([N-]C(=O)c2cc3c(ccnc3Cl)o2)n1 ZINC001133192200 1027204507 /nfs/dbraw/zinc/20/45/07/1027204507.db2.gz AVSGRSWLROCPFV-UHFFFAOYSA-N -1 1 322.777 3.708 20 0 DHADMM CCOC(=O)/C(=C\c1ccc([O-])c(F)c1)c1ccncc1Cl ZINC000812243800 1027224028 /nfs/dbraw/zinc/22/40/28/1027224028.db2.gz AFQGOFJHDUJTOO-GHXNOFRVSA-N -1 1 321.735 3.683 20 0 DHADMM Cc1ccc(/C=C/S(=O)(=O)[N-]c2ncc(Cl)cc2C)cc1 ZINC000812339497 1027258533 /nfs/dbraw/zinc/25/85/33/1027258533.db2.gz URAYYTHYSPVOOY-BQYQJAHWSA-N -1 1 322.817 3.764 20 0 DHADMM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2sccc2Cl)[C@H]1C ZINC001309004991 1027340301 /nfs/dbraw/zinc/34/03/01/1027340301.db2.gz JNNFTVDAPFFNJE-YWVKMMECSA-N -1 1 307.868 3.505 20 0 DHADMM CCc1nc(SC[C@@H]2CCc3ccccc32)[n-]c(=O)c1C ZINC000574927938 1027440624 /nfs/dbraw/zinc/44/06/24/1027440624.db2.gz BWKDZCUPYQBBGL-ZDUSSCGKSA-N -1 1 300.427 3.875 20 0 DHADMM CC[C@H](C)CN(C)C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC000932495660 1027512682 /nfs/dbraw/zinc/51/26/82/1027512682.db2.gz FDYUZEFVQZWRPA-LBPRGKRZSA-N -1 1 315.369 3.583 20 0 DHADMM CCC(C)(C)N(C)C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC000933146142 1027687950 /nfs/dbraw/zinc/68/79/50/1027687950.db2.gz ORBCMASMXWPQTR-UHFFFAOYSA-N -1 1 315.369 3.725 20 0 DHADMM C[C@](NC(=O)Nc1ccc([O-])c(Cl)c1)(C1CC1)C(F)(F)F ZINC000933578014 1027764537 /nfs/dbraw/zinc/76/45/37/1027764537.db2.gz GNKMREFQGDHMRG-LBPRGKRZSA-N -1 1 322.714 3.898 20 0 DHADMM COc1cnc([C@H]2CCC[N@H+]2CCCC2CCCCC2)[nH]c1=O ZINC000934277214 1027948625 /nfs/dbraw/zinc/94/86/25/1027948625.db2.gz ZGJJFYBMXIRCMP-OAHLLOKOSA-N -1 1 319.449 3.688 20 0 DHADMM Cc1oc(C2CC2)nc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000578281273 1028110159 /nfs/dbraw/zinc/11/01/59/1028110159.db2.gz OAJNCIZHUFPTAM-UHFFFAOYSA-N -1 1 317.732 3.936 20 0 DHADMM COc1ccc([C@H]([N-]C(=O)C(F)(F)C(F)F)C2CCC2)cc1 ZINC001134699551 1028240716 /nfs/dbraw/zinc/24/07/16/1028240716.db2.gz OSJFLKIHNRSQTI-GFCCVEGCSA-N -1 1 319.298 3.553 20 0 DHADMM Cc1c(NC(=O)c2c(F)ccc([O-])c2F)cnn1C1CCCC1 ZINC000582269030 1028320400 /nfs/dbraw/zinc/32/04/00/1028320400.db2.gz NVWNJJQKOMIMOS-UHFFFAOYSA-N -1 1 321.327 3.543 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@@H](c2ccco2)C1 ZINC000369236875 1028462809 /nfs/dbraw/zinc/46/28/09/1028462809.db2.gz PDGFYEHQOOAWCH-OAHLLOKOSA-N -1 1 307.349 3.768 20 0 DHADMM Nc1c(Cl)cc(NC(=O)c2cc(F)ccc2[O-])cc1Cl ZINC000748007655 1028539607 /nfs/dbraw/zinc/53/96/07/1028539607.db2.gz DEYDDHSVCVDXAB-UHFFFAOYSA-N -1 1 315.131 3.673 20 0 DHADMM C/C=C\c1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1 ZINC000565113807 1028543641 /nfs/dbraw/zinc/54/36/41/1028543641.db2.gz BLIVNYOSOFSQAU-IHWYPQMZSA-N -1 1 315.394 3.551 20 0 DHADMM CCC(CC)CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000371958206 1028784319 /nfs/dbraw/zinc/78/43/19/1028784319.db2.gz BDBDGLDVDHHHPY-UHFFFAOYSA-N -1 1 317.429 3.640 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC(c2ncco2)CC1 ZINC000627951052 1028840820 /nfs/dbraw/zinc/84/08/20/1028840820.db2.gz KCMXFAKKQBMZSA-UHFFFAOYSA-N -1 1 322.364 3.553 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])C1CC(c2ccc(F)cc2)C1 ZINC000816426383 1028862649 /nfs/dbraw/zinc/86/26/49/1028862649.db2.gz GWBHIBAZNYUSPX-UHFFFAOYSA-N -1 1 320.751 3.712 20 0 DHADMM O=C(Nc1ccc(OCC2CC2)cc1)c1c(F)ccc([O-])c1F ZINC000567650380 1028934283 /nfs/dbraw/zinc/93/42/83/1028934283.db2.gz ACDQQSFFVUEVJY-UHFFFAOYSA-N -1 1 319.307 3.712 20 0 DHADMM Cc1ccc(N2CCN(Cc3cccc([O-])c3Cl)CC2)cc1 ZINC000816567919 1028947376 /nfs/dbraw/zinc/94/73/76/1028947376.db2.gz PKZKHWHANMZUFK-UHFFFAOYSA-N -1 1 316.832 3.676 20 0 DHADMM CCC[C@H](C(=O)[O-])N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000568639185 1029105636 /nfs/dbraw/zinc/10/56/36/1029105636.db2.gz NJMOZJLEIJSAPE-CYBMUJFWSA-N -1 1 302.201 3.605 20 0 DHADMM Cc1cccc(F)c1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000568656408 1029107613 /nfs/dbraw/zinc/10/76/13/1029107613.db2.gz FZLBDWQXXZVZJD-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM C[C@H](C(=O)[N-]OCCC1CC1)c1ccc(C(F)(F)F)cc1 ZINC000817371844 1029140449 /nfs/dbraw/zinc/14/04/49/1029140449.db2.gz AKEWTCXFCJFFKG-JTQLQIEISA-N -1 1 301.308 3.657 20 0 DHADMM C[C@@H](CF)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC000817453427 1029157226 /nfs/dbraw/zinc/15/72/26/1029157226.db2.gz PUGBZHUTEVBWBQ-LURJTMIESA-N -1 1 300.107 3.559 20 0 DHADMM [O-]c1ccc(Cl)c(F)c1CNc1ccc2c(c1)OCCO2 ZINC000190811679 1029162733 /nfs/dbraw/zinc/16/27/33/1029162733.db2.gz IGFPBTMFIBJMSE-UHFFFAOYSA-N -1 1 309.724 3.568 20 0 DHADMM CC(=O)Nc1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000190813179 1029165204 /nfs/dbraw/zinc/16/52/04/1029165204.db2.gz IVWPDDITDFTDDL-UHFFFAOYSA-N -1 1 308.740 3.755 20 0 DHADMM CCc1cc2c(CNc3cccc(C)c3)cc(=O)oc2cc1[O-] ZINC000043304499 1029197018 /nfs/dbraw/zinc/19/70/18/1029197018.db2.gz SAHIPRFJQVFSJZ-UHFFFAOYSA-N -1 1 309.365 3.982 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@H](CC(F)(F)F)C1 ZINC000817631675 1029222037 /nfs/dbraw/zinc/22/20/37/1029222037.db2.gz DYXHRTKXMKQBCE-SECBINFHSA-N -1 1 321.726 3.850 20 0 DHADMM N#CC(=C([O-])c1cccc2cc[nH]c21)c1cnc2ccccc2n1 ZINC000190949231 1029225019 /nfs/dbraw/zinc/22/50/19/1029225019.db2.gz HUWMNSWUMGTOSI-CQSZACIVSA-N -1 1 312.332 3.601 20 0 DHADMM Cn1cccc1[C@@H]1CCCCCN1C(=O)c1ccc(F)c([O-])c1 ZINC001136040799 1029265706 /nfs/dbraw/zinc/26/57/06/1029265706.db2.gz DEJWSLNJTQLZQS-INIZCTEOSA-N -1 1 316.376 3.627 20 0 DHADMM Cc1cc(O)cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c1 ZINC000629330806 1029304311 /nfs/dbraw/zinc/30/43/11/1029304311.db2.gz IRBPCVFIBOLLLH-UHFFFAOYSA-N -1 1 305.399 3.625 20 0 DHADMM CN(C)c1c(Cl)cccc1NC(=O)c1cc(F)ccc1[O-] ZINC001136164328 1029429808 /nfs/dbraw/zinc/42/98/08/1029429808.db2.gz PWESTNTVDIAAFL-UHFFFAOYSA-N -1 1 308.740 3.503 20 0 DHADMM CC(C)(C)OC1CC(Sc2nc(C(F)(F)F)cc(=O)[n-]2)C1 ZINC000450840036 1029709174 /nfs/dbraw/zinc/70/91/74/1029709174.db2.gz VRIZKGSLSCBESX-UHFFFAOYSA-N -1 1 322.352 3.639 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2nnc(C(C)(C)C)s2)c([O-])c1 ZINC001136359733 1029750687 /nfs/dbraw/zinc/75/06/87/1029750687.db2.gz UUWMKNPMCAGPAO-UHFFFAOYSA-N -1 1 319.430 3.917 20 0 DHADMM COc1cnc(C=Cc2ccc(-c3ccc(F)cc3)o2)[n-]c1=O ZINC000821007047 1029804051 /nfs/dbraw/zinc/80/40/51/1029804051.db2.gz ATZBFNYTTMHHQX-CLFYSBASSA-N -1 1 312.300 3.760 20 0 DHADMM CCc1ccc(C(=O)N2C[C@H](C)Oc3ccc(C)cc32)c([O-])c1 ZINC000530331550 1029815250 /nfs/dbraw/zinc/81/52/50/1029815250.db2.gz VMNKJRQEQYZBCE-ZDUSSCGKSA-N -1 1 311.381 3.691 20 0 DHADMM Cc1cc(C=O)c([O-])c(C(=O)N(C2CC2)C2CCC(C)CC2)c1 ZINC001136430777 1029827101 /nfs/dbraw/zinc/82/71/01/1029827101.db2.gz GDIGBHUXTRIIFC-UHFFFAOYSA-N -1 1 315.413 3.696 20 0 DHADMM CC(C)Cc1ncc(C(=O)Nc2cc([O-])c(F)cc2F)s1 ZINC000822542942 1030058844 /nfs/dbraw/zinc/05/88/44/1030058844.db2.gz LDZYXENZLOOXKI-UHFFFAOYSA-N -1 1 312.341 3.578 20 0 DHADMM O=C(N[C@@H]1CCCc2sccc21)c1c(F)ccc([O-])c1F ZINC000290587101 1030117422 /nfs/dbraw/zinc/11/74/22/1030117422.db2.gz VBNWISFFJWPPFM-SNVBAGLBSA-N -1 1 309.337 3.539 20 0 DHADMM CC(F)(F)C(=O)[N-]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000866089083 1030125557 /nfs/dbraw/zinc/12/55/57/1030125557.db2.gz FRBWSTLMWKEQQG-UHFFFAOYSA-N -1 1 301.642 3.630 20 0 DHADMM CCOc1cc(C(=O)N(C)C[C@H]2CC=CCC2)cc(Cl)c1[O-] ZINC000357993210 1030270871 /nfs/dbraw/zinc/27/08/71/1030270871.db2.gz UQZWPEKILCUZCX-LBPRGKRZSA-N -1 1 323.820 3.873 20 0 DHADMM COc1cc(C(=O)N(C)[C@@H]2CCC(C)(C)C2)cc(Cl)c1[O-] ZINC000358071062 1030311353 /nfs/dbraw/zinc/31/13/53/1030311353.db2.gz IFZCYQZEKAHQPO-LLVKDONJSA-N -1 1 311.809 3.705 20 0 DHADMM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1ccc(F)c([O-])c1 ZINC001136827797 1030480221 /nfs/dbraw/zinc/48/02/21/1030480221.db2.gz JINZYXUXRFIHDP-BXUZGUMPSA-N -1 1 317.335 3.689 20 0 DHADMM O=C(NC1(c2ccccc2F)CC1)c1cc(Cl)ccc1[O-] ZINC001136846784 1030515113 /nfs/dbraw/zinc/51/51/13/1030515113.db2.gz KIUMBBKNTNVANK-UHFFFAOYSA-N -1 1 305.736 3.604 20 0 DHADMM O=c1cc(C(F)(F)F)nc(SCc2ccc(Cl)cn2)[n-]1 ZINC000558319132 1030537717 /nfs/dbraw/zinc/53/77/17/1030537717.db2.gz JFBXYEUEMKHMQQ-UHFFFAOYSA-N -1 1 321.711 3.542 20 0 DHADMM Cc1cnc(C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)c([O-])c1 ZINC000358604568 1030554335 /nfs/dbraw/zinc/55/43/35/1030554335.db2.gz SGKHFAAFUNBUHF-QGZVFWFLSA-N -1 1 322.408 3.778 20 0 DHADMM CCc1ccc([C@H]2CCCCCN2C(=O)c2ncccc2[O-])o1 ZINC000358614558 1030560262 /nfs/dbraw/zinc/56/02/62/1030560262.db2.gz ISRXKDKDBZDHDE-CQSZACIVSA-N -1 1 314.385 3.700 20 0 DHADMM O=C(Cc1ccc([O-])c(Cl)c1)NC1(c2cccc(F)c2)CC1 ZINC001136882162 1030561954 /nfs/dbraw/zinc/56/19/54/1030561954.db2.gz DTBSZOAFOXPRJF-UHFFFAOYSA-N -1 1 319.763 3.533 20 0 DHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(N[C@H](C)C2CCC2)c1 ZINC000825011814 1030697548 /nfs/dbraw/zinc/69/75/48/1030697548.db2.gz YMPNKUANNIOWOA-LLVKDONJSA-N -1 1 314.351 3.774 20 0 DHADMM CC(C)=CCNc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000825011791 1030697644 /nfs/dbraw/zinc/69/76/44/1030697644.db2.gz XKRXZRBORKJRFC-UHFFFAOYSA-N -1 1 300.324 3.552 20 0 DHADMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1csc(-c2cccs2)n1 ZINC000263341809 1031185825 /nfs/dbraw/zinc/18/58/25/1031185825.db2.gz NPWLSFLGKSAQBF-GHMZBOCLSA-N -1 1 322.455 3.557 20 0 DHADMM CCCN(CC(=O)[O-])Cc1ccc(-c2c(F)cccc2F)o1 ZINC000263418067 1031192626 /nfs/dbraw/zinc/19/26/26/1031192626.db2.gz NXZRZILGVRVVLR-UHFFFAOYSA-N -1 1 309.312 3.521 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@H](OC2CCC2)CC1 ZINC000871333710 1031199975 /nfs/dbraw/zinc/19/99/75/1031199975.db2.gz MFCGALMJQIUODV-AWEZNQCLSA-N -1 1 323.820 3.609 20 0 DHADMM CCCCN(C(=O)c1ncc2ccccc2c1[O-])[C@@H](C)CC ZINC001144060168 1031203892 /nfs/dbraw/zinc/20/38/92/1031203892.db2.gz FCCUWMCFHSSAPK-ZDUSSCGKSA-N -1 1 300.402 3.981 20 0 DHADMM CCOc1ccc2nc(-c3ccc(C(C)C)nc3)[n-]c(=O)c2c1 ZINC000871601425 1031242619 /nfs/dbraw/zinc/24/26/19/1031242619.db2.gz LIEFOAWFYYULBS-UHFFFAOYSA-N -1 1 309.369 3.920 20 0 DHADMM CC(C)[C@@H](NCc1cccc([O-])c1Cl)c1nc(C2CC2)no1 ZINC000293472352 1031483274 /nfs/dbraw/zinc/48/32/74/1031483274.db2.gz FCWJNALAQDYXAR-CQSZACIVSA-N -1 1 321.808 3.793 20 0 DHADMM C[C@H](CC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1ccccc1 ZINC001144426521 1031589478 /nfs/dbraw/zinc/58/94/78/1031589478.db2.gz XIMVLRGIVDPJGJ-CQSZACIVSA-N -1 1 321.380 3.710 20 0 DHADMM [O-]c1cc(F)c(CN2CCc3cccc(Cl)c3C2)c(F)c1 ZINC001144559125 1031710354 /nfs/dbraw/zinc/71/03/54/1031710354.db2.gz JBSXCQTTXWNNJD-UHFFFAOYSA-N -1 1 309.743 3.882 20 0 DHADMM [O-]c1cc(F)c(CN2CCSC[C@@H]2c2ccccc2)cc1F ZINC001144658409 1031811787 /nfs/dbraw/zinc/81/17/87/1031811787.db2.gz VIWQTDIWCPZZIQ-MRXNPFEDSA-N -1 1 321.392 3.961 20 0 DHADMM [O-]c1cc(F)c(CN2CCc3cc(Cl)ccc3C2)cc1F ZINC001144658456 1031813143 /nfs/dbraw/zinc/81/31/43/1031813143.db2.gz XBOMAJOSRBGXGY-UHFFFAOYSA-N -1 1 309.743 3.882 20 0 DHADMM CSc1cccnc1[N-]C(=O)c1csc(-c2ccoc2)n1 ZINC001144820166 1031983987 /nfs/dbraw/zinc/98/39/87/1031983987.db2.gz CFXSGTSAPXFJTK-UHFFFAOYSA-N -1 1 317.395 3.772 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@]2(CC2(F)F)C1 ZINC000846570274 1032007619 /nfs/dbraw/zinc/00/76/19/1032007619.db2.gz KZEKJZCYJOZIGW-QGZVFWFLSA-N -1 1 317.335 3.807 20 0 DHADMM CNc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)c(Cl)c1 ZINC001295291778 1033312827 /nfs/dbraw/zinc/31/28/27/1033312827.db2.gz ANGAMEYNNWPPOT-UHFFFAOYSA-N -1 1 311.168 3.993 20 0 DHADMM CC[C@H](C)CN(C)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000338387376 1033336948 /nfs/dbraw/zinc/33/69/48/1033336948.db2.gz SGASQMNQIIHQHJ-JTQLQIEISA-N -1 1 306.793 3.712 20 0 DHADMM Cc1ccc(F)cc1-c1noc(-c2ncc(C(F)(F)F)[n-]2)n1 ZINC001212690114 1033462209 /nfs/dbraw/zinc/46/22/09/1033462209.db2.gz YOJYJPIDTZCNKB-UHFFFAOYSA-N -1 1 312.226 3.593 20 0 DHADMM Cc1ccc(F)cc1-c1noc(-c2nc(C(F)(F)F)c[n-]2)n1 ZINC001212690114 1033462216 /nfs/dbraw/zinc/46/22/16/1033462216.db2.gz YOJYJPIDTZCNKB-UHFFFAOYSA-N -1 1 312.226 3.593 20 0 DHADMM [O-]c1cnccc1-c1nc(-c2ccccc2C(F)(F)F)no1 ZINC001212721228 1033696279 /nfs/dbraw/zinc/69/62/79/1033696279.db2.gz DZWVONQKFQWPBK-UHFFFAOYSA-N -1 1 307.231 3.523 20 0 DHADMM CC[N@@H+](Cn1c(Cc2cccs2)n[n-]c1=S)C1CCCC1 ZINC000127395303 1033854846 /nfs/dbraw/zinc/85/48/46/1033854846.db2.gz QYVPRFXXPRNGPK-UHFFFAOYSA-N -1 1 322.503 3.815 20 0 DHADMM CC[C@H]1CCCC[C@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000479721905 1033882639 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/nfs/dbraw/zinc/18/42/81/1035184281.db2.gz FTRWOPQUERMYLD-UHFFFAOYSA-N -1 1 319.263 3.844 20 0 DHADMM COc1ccc(COC(=O)c2ccc([O-])cc2F)cc1Cl ZINC000773565481 1035234766 /nfs/dbraw/zinc/23/47/66/1035234766.db2.gz JHJUGPJAXLBTDQ-UHFFFAOYSA-N -1 1 310.708 3.550 20 0 DHADMM CCN(C)C(=O)c1cccc(Nc2cc(F)c([O-])cc2F)c1 ZINC001176467369 1035275040 /nfs/dbraw/zinc/27/50/40/1035275040.db2.gz YGLLIIHSZIHLND-UHFFFAOYSA-N -1 1 306.312 3.506 20 0 DHADMM COc1ncc(Nc2c(F)cc(F)c([O-])c2F)cc1Cl ZINC001176663586 1035308651 /nfs/dbraw/zinc/30/86/51/1035308651.db2.gz GDXQQBKMXMGKPQ-UHFFFAOYSA-N -1 1 304.655 3.610 20 0 DHADMM Nc1cc(Cl)cc2c1ccn2-c1c(F)cc(F)c([O-])c1F ZINC001176671446 1035310077 /nfs/dbraw/zinc/31/00/77/1035310077.db2.gz ZGNSLTCOFVBBRE-UHFFFAOYSA-N -1 1 312.678 3.989 20 0 DHADMM COc1c(F)cc(F)cc1Nc1c(F)cc(F)c([O-])c1F ZINC001176671953 1035310253 /nfs/dbraw/zinc/31/02/53/1035310253.db2.gz AWEQHIPGYGOZSH-UHFFFAOYSA-N -1 1 305.202 3.840 20 0 DHADMM COCc1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1F ZINC001176671019 1035310895 /nfs/dbraw/zinc/31/08/95/1035310895.db2.gz QYTUYMKFKHJGFI-UHFFFAOYSA-N -1 1 301.239 3.839 20 0 DHADMM Cc1c(C)n(-c2c(F)cc(F)c([O-])c2F)c2c1cccc2N ZINC001176673459 1035312004 /nfs/dbraw/zinc/31/20/04/1035312004.db2.gz HCXUHBJMWITRMK-UHFFFAOYSA-N -1 1 306.287 3.952 20 0 DHADMM CCOC(=O)c1cccc(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176672338 1035312051 /nfs/dbraw/zinc/31/20/51/1035312051.db2.gz GOTXVRNOVUMPER-UHFFFAOYSA-N -1 1 311.259 3.730 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ccc(OC(F)(F)F)nc2)c1F ZINC001176662838 1035317059 /nfs/dbraw/zinc/31/70/59/1035317059.db2.gz ADQQHZUHIBNFAZ-UHFFFAOYSA-N -1 1 324.180 3.847 20 0 DHADMM CN(C)Cc1cc(NCc2ccc(C(=O)[O-])s2)ccc1Cl ZINC000903685981 1035323996 /nfs/dbraw/zinc/32/39/96/1035323996.db2.gz BIFYWRAHPDQEPS-UHFFFAOYSA-N -1 1 324.833 3.773 20 0 DHADMM CCCc1ccc(CNCc2ccc(C(=O)[O-])c(CC)n2)cc1 ZINC000903997839 1035336072 /nfs/dbraw/zinc/33/60/72/1035336072.db2.gz XZFBFPUJBDSTBY-UHFFFAOYSA-N -1 1 312.413 3.585 20 0 DHADMM CC[C@H](Cc1ccc(NCc2[nH]nc3ccccc32)cc1)C(=O)[O-] ZINC000904015024 1035339477 /nfs/dbraw/zinc/33/94/77/1035339477.db2.gz CAEPUUAXUHGLMB-CQSZACIVSA-N -1 1 323.396 3.828 20 0 DHADMM Cc1scc(CN[C@H](CC(=O)[O-])c2ccccc2F)c1C ZINC000904044770 1035351291 /nfs/dbraw/zinc/35/12/91/1035351291.db2.gz DBKGHOQTLQHENC-OAHLLOKOSA-N -1 1 307.390 3.810 20 0 DHADMM CC[C@@H](NCc1cc2ccccc2s1)c1nc(C(=O)[O-])c[nH]1 ZINC000904064272 1035357120 /nfs/dbraw/zinc/35/71/20/1035357120.db2.gz HQTHPDXCRJLMLL-GFCCVEGCSA-N -1 1 315.398 3.564 20 0 DHADMM CCO[C@H](c1noc(-c2cc(SC)ccc2[O-])n1)C(C)C ZINC000904127801 1035370198 /nfs/dbraw/zinc/37/01/98/1035370198.db2.gz UHAIDOHCRFALTK-ZDUSSCGKSA-N -1 1 308.403 3.898 20 0 DHADMM CCn1cc(Cl)c(NC(=O)c2ccc(C(C)C)cc2[O-])n1 ZINC001178205435 1035414757 /nfs/dbraw/zinc/41/47/57/1035414757.db2.gz YNMZFRSORBYXOT-UHFFFAOYSA-N -1 1 307.781 3.638 20 0 DHADMM CSc1ccc(CNc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001179308444 1035472882 /nfs/dbraw/zinc/47/28/82/1035472882.db2.gz QVKGTFCBXLWRKY-UHFFFAOYSA-N -1 1 311.410 3.912 20 0 DHADMM [O-]c1cccc(CNCc2noc3cc(F)ccc32)c1Cl ZINC001179430205 1035477280 /nfs/dbraw/zinc/47/72/80/1035477280.db2.gz SFMKQODDVAEXQI-UHFFFAOYSA-N -1 1 306.724 3.616 20 0 DHADMM CCCCOc1ccccc1C=Cc1ncc(OC)c(=O)[n-]1 ZINC000905077420 1035477515 /nfs/dbraw/zinc/47/75/15/1035477515.db2.gz WFRBKFVHZLYTIP-KTKRTIGZSA-N -1 1 300.358 3.540 20 0 DHADMM CC1(C)C[C@@H](c2ccccc2)CN1C(=O)c1ccc([O-])c(F)c1 ZINC001179527102 1035480439 /nfs/dbraw/zinc/48/04/39/1035480439.db2.gz OXGTUGHLFAHSBW-OAHLLOKOSA-N -1 1 313.372 3.940 20 0 DHADMM Cc1ccc(O[C@H](C)C(=O)Nc2cc(F)c([O-])cc2Cl)cc1 ZINC001179656836 1035487172 /nfs/dbraw/zinc/48/71/72/1035487172.db2.gz WXEXJDLXTVEMEB-SNVBAGLBSA-N -1 1 323.751 3.899 20 0 DHADMM CCCC[C@H](C)NC(=O)Nc1cccc([O-])c1Br ZINC001193072753 1035549726 /nfs/dbraw/zinc/54/97/26/1035549726.db2.gz HUBUGIOMBXEHBQ-VIFPVBQESA-N -1 1 315.211 3.855 20 0 DHADMM COc1ccc([C@H](NCc2cc(C(=O)[O-])co2)C2CCC2)cc1 ZINC000905752053 1035627136 /nfs/dbraw/zinc/62/71/36/1035627136.db2.gz QLBMJHKVNNCXHX-QGZVFWFLSA-N -1 1 315.369 3.617 20 0 DHADMM CC1(C)CC[C@H](NCc2ccc(C(=O)[O-])cn2)c2ccccc21 ZINC000905724403 1035627420 /nfs/dbraw/zinc/62/74/20/1035627420.db2.gz KCMNVPXJMSMELD-KRWDZBQOSA-N -1 1 310.397 3.682 20 0 DHADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(CC)cc2)c1 ZINC000195654137 1035628961 /nfs/dbraw/zinc/62/89/61/1035628961.db2.gz LWXYPEDJGPEXHN-UHFFFAOYSA-N -1 1 317.410 3.643 20 0 DHADMM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)CC1CCC1 ZINC001193468280 1035636079 /nfs/dbraw/zinc/63/60/79/1035636079.db2.gz QVKSTORERSLPIL-UHFFFAOYSA-N -1 1 311.447 3.535 20 0 DHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C)c3ncccc23)c1 ZINC000193129002 1035838124 /nfs/dbraw/zinc/83/81/24/1035838124.db2.gz JYSIEKOUGGOYOT-UHFFFAOYSA-N -1 1 312.394 3.652 20 0 DHADMM O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)c1ccc(C2CC2)cc1 ZINC001194159145 1035849877 /nfs/dbraw/zinc/84/98/77/1035849877.db2.gz JNOIRVSQOQBDAU-UHFFFAOYSA-N -1 1 319.364 3.708 20 0 DHADMM CCCCCCOC(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001194162309 1035854727 /nfs/dbraw/zinc/85/47/27/1035854727.db2.gz HBDGXUYYHMYSGO-UHFFFAOYSA-N -1 1 303.362 3.707 20 0 DHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc2cnccc2c1 ZINC001194603317 1035966710 /nfs/dbraw/zinc/96/67/10/1035966710.db2.gz SVSBJEGNRANQQZ-UHFFFAOYSA-N -1 1 312.394 3.652 20 0 DHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1cccc2ncccc12 ZINC001194603287 1035967875 /nfs/dbraw/zinc/96/78/75/1035967875.db2.gz RSMIUTMVTPIIJX-UHFFFAOYSA-N -1 1 312.394 3.652 20 0 DHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1cnc2ccccc2c1 ZINC001194603312 1035968597 /nfs/dbraw/zinc/96/85/97/1035968597.db2.gz SVEJDYJGWKCOLC-UHFFFAOYSA-N -1 1 312.394 3.652 20 0 DHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1 ZINC001194634587 1035973033 /nfs/dbraw/zinc/97/30/33/1035973033.db2.gz VQIMPXZKFCVPCK-UHFFFAOYSA-N -1 1 315.316 3.522 20 0 DHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1cccc2occc21 ZINC001194643210 1035975657 /nfs/dbraw/zinc/97/56/57/1035975657.db2.gz RCZVNBMZUYLHET-UHFFFAOYSA-N -1 1 301.367 3.850 20 0 DHADMM CC[C@H](CC(C)C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001181843023 1036015775 /nfs/dbraw/zinc/01/57/75/1036015775.db2.gz QSHUZGGASSUTKK-CYBMUJFWSA-N -1 1 301.390 3.589 20 0 DHADMM O=C(Nc1ccc(F)c(C2CC2)c1)c1c[n-]c(C(F)(F)F)n1 ZINC001194783015 1036018401 /nfs/dbraw/zinc/01/84/01/1036018401.db2.gz AEPOHUMBVDSYCY-UHFFFAOYSA-N -1 1 313.254 3.697 20 0 DHADMM CC(C)(CC(=O)NCc1ccc([O-])c(Cl)c1)C(F)(F)F ZINC000834824949 1036170045 /nfs/dbraw/zinc/17/00/45/1036170045.db2.gz CTSRUMQXLJQLEU-UHFFFAOYSA-N -1 1 309.715 3.640 20 0 DHADMM Cc1ccc([O-])c(C(=O)Nc2c(Cl)ccc3ncccc32)n1 ZINC001195326071 1036205112 /nfs/dbraw/zinc/20/51/12/1036205112.db2.gz LRWBPGNTDZRLSK-UHFFFAOYSA-N -1 1 313.744 3.550 20 0 DHADMM CC(C)OCc1cccc(NC(=O)c2cc([O-])cnc2Cl)c1 ZINC001195309554 1036215930 /nfs/dbraw/zinc/21/59/30/1036215930.db2.gz RVHNLNLYIDLKCP-UHFFFAOYSA-N -1 1 320.776 3.618 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1ccccc1-c1ccccc1 ZINC001195482725 1036265022 /nfs/dbraw/zinc/26/50/22/1036265022.db2.gz NEPFAUIBLFDHQY-UHFFFAOYSA-N -1 1 300.383 3.797 20 0 DHADMM Cc1ccc(F)cc1NC(=S)Nc1c(F)cc([O-])cc1F ZINC001195920091 1036386789 /nfs/dbraw/zinc/38/67/89/1036386789.db2.gz YUHSDYZRHNZCOC-UHFFFAOYSA-N -1 1 312.316 3.927 20 0 DHADMM Cc1cccc(C)c1[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000102319726 1036454189 /nfs/dbraw/zinc/45/41/89/1036454189.db2.gz GGGGPRHXNNSAEL-UHFFFAOYSA-N -1 1 312.394 3.652 20 0 DHADMM Cc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c2n[nH]cc21 ZINC000486935048 1036468527 /nfs/dbraw/zinc/46/85/27/1036468527.db2.gz IKQTXLJHSFXCRT-UHFFFAOYSA-N -1 1 316.748 3.874 20 0 DHADMM O=C(C[C@@H]1C[C@H]1C1CC1)Nc1cccc([O-])c1Br ZINC000908718037 1036476391 /nfs/dbraw/zinc/47/63/91/1036476391.db2.gz QXPICDQTOUEGDF-UWVGGRQHSA-N -1 1 310.191 3.529 20 0 DHADMM C[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc([O-])c1Br ZINC000908706370 1036486856 /nfs/dbraw/zinc/48/68/56/1036486856.db2.gz AEWDIRMOMNXRJS-ZJUUUORDSA-N -1 1 312.207 3.920 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)[C@@H]1CCCC12CC2 ZINC000908717363 1036493989 /nfs/dbraw/zinc/49/39/89/1036493989.db2.gz LBPKLPDGNRJTSW-VIFPVBQESA-N -1 1 310.191 3.674 20 0 DHADMM O=C(NCC1(C2CC2)CC1)c1c([O-])cnc2ccc(Cl)cc21 ZINC001183054958 1036511795 /nfs/dbraw/zinc/51/17/95/1036511795.db2.gz XPKAKOIBIHKFIF-UHFFFAOYSA-N -1 1 316.788 3.514 20 0 DHADMM C[C@@H]1C[C@H]([N-]C(=O)C(F)(F)OCC(F)(F)F)c2ccccc21 ZINC001183194557 1036540185 /nfs/dbraw/zinc/54/01/85/1036540185.db2.gz JYXLIKUWJFYXCX-KCJUWKMLSA-N -1 1 323.261 3.523 20 0 DHADMM [O-]c1cccc(NC(=S)NCc2ccc(F)cc2)c1Cl ZINC001196490029 1036558144 /nfs/dbraw/zinc/55/81/44/1036558144.db2.gz RDYGKOZPMZDPJK-UHFFFAOYSA-N -1 1 310.781 3.671 20 0 DHADMM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1c(F)ccc([O-])c1F ZINC000491558554 1036604018 /nfs/dbraw/zinc/60/40/18/1036604018.db2.gz GCWWTBKDJNEPAE-WDEREUQCSA-N -1 1 311.372 3.957 20 0 DHADMM Cc1cc(C)cc(C2(C(=O)Nc3cc([O-])c(F)cc3F)CC2)c1 ZINC000909973785 1036725323 /nfs/dbraw/zinc/72/53/23/1036725323.db2.gz BTCUVJYIKSUGOE-UHFFFAOYSA-N -1 1 317.335 3.958 20 0 DHADMM CCC[C@H](C(=O)Nc1cc([O-])c(F)cc1F)c1ccccn1 ZINC000909986853 1036733426 /nfs/dbraw/zinc/73/34/26/1036733426.db2.gz VDXXSFXANHNORE-JTQLQIEISA-N -1 1 306.312 3.588 20 0 DHADMM CCCCCCO[C@H](C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909987846 1036742471 /nfs/dbraw/zinc/74/24/71/1036742471.db2.gz LDOIPADCLPHVJD-SNVBAGLBSA-N -1 1 301.333 3.594 20 0 DHADMM O=C(NC[C@]12C[C@H]1CCC2)c1c([O-])cnc2ccc(Cl)cc21 ZINC001184358444 1036809979 /nfs/dbraw/zinc/80/99/79/1036809979.db2.gz ZTWCBUUNJBFHDH-QGHHPUGFSA-N -1 1 316.788 3.514 20 0 DHADMM Cc1oc(CN(C)Cc2cccc(OC(C)C)c2)cc1C(=O)[O-] ZINC000569981659 1036849462 /nfs/dbraw/zinc/84/94/62/1036849462.db2.gz MPWROVFLQONDAM-UHFFFAOYSA-N -1 1 317.385 3.705 20 0 DHADMM O=C(Nc1cc(F)cc(F)c1[O-])[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000910981875 1037018567 /nfs/dbraw/zinc/01/85/67/1037018567.db2.gz SUMJLKWBNOEOPK-HTQZYQBOSA-N -1 1 323.261 3.978 20 0 DHADMM Cc1noc(C)c1NC(=O)Nc1cc(Cl)c(Cl)cc1[O-] ZINC001185183069 1037059293 /nfs/dbraw/zinc/05/92/93/1037059293.db2.gz LLZQYOBIFQSMJC-UHFFFAOYSA-N -1 1 316.144 3.948 20 0 DHADMM CSc1ccc([N-]S(=O)(=O)c2ccc3occc3c2)cc1 ZINC001198854467 1037144345 /nfs/dbraw/zinc/14/43/45/1037144345.db2.gz CHKONNUBRXMTSG-UHFFFAOYSA-N -1 1 319.407 3.956 20 0 DHADMM COc1ccc(S(=O)(=O)[N-]c2cccc3occc32)c(C)c1 ZINC001198951685 1037169707 /nfs/dbraw/zinc/16/97/07/1037169707.db2.gz VNQVKGONIUHQGX-UHFFFAOYSA-N -1 1 317.366 3.551 20 0 DHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc2occc2c1 ZINC001185836002 1037246409 /nfs/dbraw/zinc/24/64/09/1037246409.db2.gz BNZGBKYGSWVODT-UHFFFAOYSA-N -1 1 305.330 3.681 20 0 DHADMM CCN(CC)c1ccc(NC(=O)c2ccc([O-])c(F)c2)c(C)c1 ZINC001186225353 1037339393 /nfs/dbraw/zinc/33/93/93/1037339393.db2.gz AXQWVFGKDPKFLS-UHFFFAOYSA-N -1 1 316.376 3.938 20 0 DHADMM Cc1ccccc1CC(C)(C)CNC(=O)c1ccc([O-])c(F)c1 ZINC001186242274 1037341709 /nfs/dbraw/zinc/34/17/09/1037341709.db2.gz GZAHHRBKWWJHAF-UHFFFAOYSA-N -1 1 315.388 3.838 20 0 DHADMM O=C(c1ccc([O-])c(F)c1)N1CCC2(C=Cc3ccccc32)CC1 ZINC001186218065 1037347287 /nfs/dbraw/zinc/34/72/87/1037347287.db2.gz CDGPKMMZHXSABO-UHFFFAOYSA-N -1 1 323.367 3.732 20 0 DHADMM O=C(NCCc1ccc(F)cc1)Nc1ccc(Cl)cc1[O-] ZINC001186274989 1037354049 /nfs/dbraw/zinc/35/40/49/1037354049.db2.gz BGGNCKAYVXUFBP-UHFFFAOYSA-N -1 1 308.740 3.549 20 0 DHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])c1ccc(O)cc1F ZINC001186329154 1037358430 /nfs/dbraw/zinc/35/84/30/1037358430.db2.gz MZWWHICQHRMPET-UHFFFAOYSA-N -1 1 315.222 3.508 20 0 DHADMM CCC1(NC(=O)c2ccc([O-])cc2F)CCC(F)(F)CC1 ZINC001186339319 1037378139 /nfs/dbraw/zinc/37/81/39/1037378139.db2.gz CMOCOGWTGJKPBA-UHFFFAOYSA-N -1 1 301.308 3.619 20 0 DHADMM [O-]c1cc(F)c(F)cc1NC(=S)NC1CCCCCC1 ZINC001199971808 1037391595 /nfs/dbraw/zinc/39/15/95/1037391595.db2.gz OKUBRVRRTACGBL-UHFFFAOYSA-N -1 1 300.374 3.680 20 0 DHADMM O=C(Cc1ccc([O-])c(Cl)c1)N1CC=CC12CCCCC2 ZINC000912474112 1037407081 /nfs/dbraw/zinc/40/70/81/1037407081.db2.gz OOXBOJKKGJAURV-UHFFFAOYSA-N -1 1 305.805 3.689 20 0 DHADMM O=C(Nc1cc(Cl)ncc1[O-])N[C@@H]1CCCc2ccccc21 ZINC001186424263 1037408152 /nfs/dbraw/zinc/40/81/52/1037408152.db2.gz KRWJFKJDWLYKBY-GFCCVEGCSA-N -1 1 317.776 3.640 20 0 DHADMM Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000763196956 1037440752 /nfs/dbraw/zinc/44/07/52/1037440752.db2.gz NOYAIEWDLNFTDH-RKDXNWHRSA-N -1 1 308.790 3.553 20 0 DHADMM O=S(=O)([N-][C@H]1C=CCCC1)c1cc(Cl)c(Cl)cc1F ZINC001201286677 1037586706 /nfs/dbraw/zinc/58/67/06/1037586706.db2.gz YLCOMRGWVMIJNJ-QMMMGPOBSA-N -1 1 324.204 3.520 20 0 DHADMM Nc1ccc(Nc2c(Cl)ccc(Br)c2[O-])cn1 ZINC001201300030 1037599308 /nfs/dbraw/zinc/59/93/08/1037599308.db2.gz KBPPSPDELPMUIM-UHFFFAOYSA-N -1 1 314.570 3.529 20 0 DHADMM [O-]c1c(NC2=CCSCC2)ccc(F)c1Br ZINC001201346203 1037623998 /nfs/dbraw/zinc/62/39/98/1037623998.db2.gz UOAJPTLMFQWDIU-UHFFFAOYSA-N -1 1 304.184 3.727 20 0 DHADMM CCOCCC1(C(=O)Nc2ccc([O-])c(Cl)c2)CCCC1 ZINC000182872770 1037678456 /nfs/dbraw/zinc/67/84/56/1037678456.db2.gz BHCWGAUSHQXYOQ-UHFFFAOYSA-N -1 1 311.809 3.971 20 0 DHADMM C[C@@H](OC(=O)c1cc(-c2ccco2)n[nH]1)c1ccc(F)cc1 ZINC000913298469 1037792291 /nfs/dbraw/zinc/79/22/91/1037792291.db2.gz MNGVMPYVYQBEFU-SNVBAGLBSA-N -1 1 300.289 3.727 20 0 DHADMM c1ccc(COc2cncc([N-]c3nonc3C3CC3)c2)cc1 ZINC001201622841 1037818023 /nfs/dbraw/zinc/81/80/23/1037818023.db2.gz LVFFKJOJPBMMII-UHFFFAOYSA-N -1 1 308.341 3.665 20 0 DHADMM CCC(CC)Oc1ccc(F)cc1[N-]S(=O)(=O)C1CCC1 ZINC001188144525 1037828448 /nfs/dbraw/zinc/82/84/48/1037828448.db2.gz MHVKDCKUYGDEPH-UHFFFAOYSA-N -1 1 315.410 3.687 20 0 DHADMM [O-]c1c(Cl)cc(Br)cc1Nc1cncc(O)c1 ZINC001201648810 1037833640 /nfs/dbraw/zinc/83/36/40/1037833640.db2.gz NZHSNOYSUZXFLR-UHFFFAOYSA-N -1 1 315.554 3.652 20 0 DHADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000037683531 1037838407 /nfs/dbraw/zinc/83/84/07/1037838407.db2.gz LBUDMHHXIMHPBF-UHFFFAOYSA-N -1 1 323.801 3.734 20 0 DHADMM Cc1ccc2cccnc2c1NC(=O)c1ncc(C(F)(F)F)[n-]1 ZINC001188287898 1037866877 /nfs/dbraw/zinc/86/68/77/1037866877.db2.gz LKCKCWVPYOVEKI-UHFFFAOYSA-N -1 1 320.274 3.537 20 0 DHADMM Cc1ccc2cccnc2c1NC(=O)c1nc(C(F)(F)F)c[n-]1 ZINC001188287898 1037866903 /nfs/dbraw/zinc/86/69/03/1037866903.db2.gz LKCKCWVPYOVEKI-UHFFFAOYSA-N -1 1 320.274 3.537 20 0 DHADMM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000124298394 1037895803 /nfs/dbraw/zinc/89/58/03/1037895803.db2.gz VZAVLSBOYZNOBB-JKSUJKDBSA-N -1 1 310.397 3.586 20 0 DHADMM CCN(CCc1ccccc1)C(=O)c1cc(Cl)ccc1[O-] ZINC000124409883 1037896833 /nfs/dbraw/zinc/89/68/33/1037896833.db2.gz SNWDSBDFFSWACO-UHFFFAOYSA-N -1 1 303.789 3.750 20 0 DHADMM COc1cc(C)c([N-]S(=O)(=O)c2cc(C)ccc2C)cc1F ZINC000187069427 1037944235 /nfs/dbraw/zinc/94/42/35/1037944235.db2.gz IINGBQDCXRUTPP-UHFFFAOYSA-N -1 1 323.389 3.560 20 0 DHADMM COC(=O)c1c[n-]c(S[C@@H](C)CCSc2ccccc2)n1 ZINC000187598599 1037980465 /nfs/dbraw/zinc/98/04/65/1037980465.db2.gz NRXYHDWAZRWGLH-NSHDSACASA-N -1 1 322.455 3.859 20 0 DHADMM COC(=O)c1c[n-]c(SCc2ccc(Cl)c(Cl)c2)n1 ZINC000187594346 1037981962 /nfs/dbraw/zinc/98/19/62/1037981962.db2.gz NLEQDSRLCOFAPA-UHFFFAOYSA-N -1 1 317.197 3.795 20 0 DHADMM CSc1cc(C)nc(SC)c1[N-]C(=O)c1ccnc(C)c1 ZINC001188781658 1037982551 /nfs/dbraw/zinc/98/25/51/1037982551.db2.gz ZJICEDCQHVCMER-UHFFFAOYSA-N -1 1 319.455 3.790 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)Nc1c(F)cccc1F ZINC001202041934 1038015243 /nfs/dbraw/zinc/01/52/43/1038015243.db2.gz NLXMWEYRNZUBTQ-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C)c2)c1 ZINC001189229655 1038094051 /nfs/dbraw/zinc/09/40/51/1038094051.db2.gz UBYFCCMHEMBDOA-UHFFFAOYSA-N -1 1 323.801 3.652 20 0 DHADMM CC(=O)c1cccc(CSc2nc(C(F)F)cc(=O)[n-]2)c1 ZINC001189476434 1038154344 /nfs/dbraw/zinc/15/43/44/1038154344.db2.gz LGVKAQCHEKQVDR-UHFFFAOYSA-N -1 1 310.325 3.615 20 0 DHADMM Cc1[n-][nH]c(=O)c1NC(=O)CCCCCO[C@@H]1CCC[C@H](C)C1 ZINC000615223086 1038157565 /nfs/dbraw/zinc/15/75/65/1038157565.db2.gz YCZBDDLEUMVENM-GXTWGEPZSA-N -1 1 323.437 3.518 20 0 DHADMM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-]c1cccs1 ZINC001189499656 1038160249 /nfs/dbraw/zinc/16/02/49/1038160249.db2.gz ZVJARABOVIBLRV-UHFFFAOYSA-N -1 1 321.345 3.709 20 0 DHADMM Cc1nc(-c2cccs2)c(CC(=O)[N-]OC2CCCC2)s1 ZINC000775272192 1038178658 /nfs/dbraw/zinc/17/86/58/1038178658.db2.gz CERQNNOBZUMTHQ-UHFFFAOYSA-N -1 1 322.455 3.713 20 0 DHADMM COc1cc([O-])c(C(=O)Nc2cc(C)c(C)cc2C)c(OC)c1 ZINC001190138059 1038266428 /nfs/dbraw/zinc/26/64/28/1038266428.db2.gz RNEDSQUYKIVVIW-UHFFFAOYSA-N -1 1 315.369 3.587 20 0 DHADMM CCc1[nH]ncc1C(=O)Nc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001190142444 1038266881 /nfs/dbraw/zinc/26/68/81/1038266881.db2.gz GZDCGACPKVQTOJ-UHFFFAOYSA-N -1 1 314.172 3.545 20 0 DHADMM O=S(=O)([N-]c1ccc2cnccc2c1)c1ccc(C2CC2)cc1 ZINC001190464818 1038327025 /nfs/dbraw/zinc/32/70/25/1038327025.db2.gz WKMXXOHRMOGAPW-UHFFFAOYSA-N -1 1 324.405 3.913 20 0 DHADMM CC(C)=CCC[C@H](C)[N-]S(=O)(=O)c1sccc1Cl ZINC001190466229 1038327486 /nfs/dbraw/zinc/32/74/86/1038327486.db2.gz WVLGGHCACDBTAR-JTQLQIEISA-N -1 1 307.868 3.815 20 0 DHADMM C[C@@H]1CC(C)(C)c2cccc([N-]S(=O)(=O)c3ccncc3)c21 ZINC001190896482 1038402556 /nfs/dbraw/zinc/40/25/56/1038402556.db2.gz MGXUGJRGPOQKRD-GFCCVEGCSA-N -1 1 316.426 3.667 20 0 DHADMM O=C(Nc1cc(F)cc(C(F)(F)F)c1)Nc1ncccc1[O-] ZINC001191558437 1038519923 /nfs/dbraw/zinc/51/99/23/1038519923.db2.gz QUMYLGNUUXRXQB-UHFFFAOYSA-N -1 1 315.226 3.589 20 0 DHADMM CC(C)(C)c1ccc(C(=O)Nc2nccc3cnccc32)c([O-])c1 ZINC001192314419 1038624014 /nfs/dbraw/zinc/62/40/14/1038624014.db2.gz OZKZOMWPEFURKR-UHFFFAOYSA-N -1 1 321.380 3.885 20 0 DHADMM COc1cncc(NC(=O)c2ccc(C(C)(C)C)cc2[O-])c1C ZINC001192314286 1038624072 /nfs/dbraw/zinc/62/40/72/1038624072.db2.gz NSBWQMIQQHQQMA-UHFFFAOYSA-N -1 1 314.385 3.654 20 0 DHADMM O=C(Nc1ccccc1OCC1CC1)c1c(F)ccc([O-])c1F ZINC001192539532 1038678123 /nfs/dbraw/zinc/67/81/23/1038678123.db2.gz LKYZGEROMVAEGH-UHFFFAOYSA-N -1 1 319.307 3.712 20 0 DHADMM Cc1ccnc2cc(NC(=O)c3c(F)ccc([O-])c3F)ccc12 ZINC001192539775 1038679579 /nfs/dbraw/zinc/67/95/79/1038679579.db2.gz JEUFDHBZSDTZQA-UHFFFAOYSA-N -1 1 314.291 3.779 20 0 DHADMM Nc1cccc2cccc(NC(=O)c3c(F)ccc([O-])c3F)c12 ZINC001192539661 1038679625 /nfs/dbraw/zinc/67/96/25/1038679625.db2.gz GOQIUMDMDIRWCB-UHFFFAOYSA-N -1 1 314.291 3.658 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2cccc(C(C)(C)O)c2)c([O-])c1 ZINC000760891087 1038991284 /nfs/dbraw/zinc/99/12/84/1038991284.db2.gz FHRXHIXQKWKCKL-UHFFFAOYSA-N -1 1 313.397 3.995 20 0 DHADMM CCC[C@H]1CN(Cc2c3ccccc3sc2C(=O)[O-])CCO1 ZINC000574213013 1039422520 /nfs/dbraw/zinc/42/25/20/1039422520.db2.gz IKJIZWYGKKDNMN-LBPRGKRZSA-N -1 1 319.426 3.600 20 0 DHADMM Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2c([O-])cccc2F)c1 ZINC000605435380 1039681635 /nfs/dbraw/zinc/68/16/35/1039681635.db2.gz FOSLWIUMXBWDSM-JTQLQIEISA-N -1 1 323.751 3.899 20 0 DHADMM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1c([O-])cccc1F ZINC000605439231 1039682386 /nfs/dbraw/zinc/68/23/86/1039682386.db2.gz GIXTWROGTFFKJB-JTQLQIEISA-N -1 1 323.751 3.899 20 0 DHADMM CCc1nc(SCc2nc(C3CC3)cs2)[n-]c(=O)c1C ZINC000574584334 1039744914 /nfs/dbraw/zinc/74/49/14/1039744914.db2.gz FZHTUFNIGSBLRH-UHFFFAOYSA-N -1 1 307.444 3.679 20 0 DHADMM CS[C@H]1CC[C@H](NC(=O)c2cc3ccccc3cc2[O-])C1 ZINC000231678219 1040380841 /nfs/dbraw/zinc/38/08/41/1040380841.db2.gz RVIJKYQQOHIXDX-KBPBESRZSA-N -1 1 301.411 3.559 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1ccc(OC2CCC2)cc1 ZINC000608365215 1040470734 /nfs/dbraw/zinc/47/07/34/1040470734.db2.gz BGFPLPABASFUJF-UHFFFAOYSA-N -1 1 301.317 3.715 20 0 DHADMM CC(C)c1ccc(OCC(=O)Nc2c([O-])cccc2F)cc1 ZINC000608366212 1040474074 /nfs/dbraw/zinc/47/40/74/1040474074.db2.gz PFRFOIGCDOGRSX-UHFFFAOYSA-N -1 1 303.333 3.672 20 0 DHADMM O=C(Nc1c([O-])cccc1F)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000608367302 1040474143 /nfs/dbraw/zinc/47/41/43/1040474143.db2.gz VVHKFNWICGBMSS-QWRGUYRKSA-N -1 1 307.271 3.552 20 0 DHADMM Cc1ccc(Cl)c(OCC(=O)Nc2c([O-])cccc2F)c1 ZINC000608366427 1040474797 /nfs/dbraw/zinc/47/47/97/1040474797.db2.gz UZPGKELQVIFYCG-UHFFFAOYSA-N -1 1 309.724 3.511 20 0 DHADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2C)cc1 ZINC000227943032 1040547961 /nfs/dbraw/zinc/54/79/61/1040547961.db2.gz WQAKWSKXLMOZQU-UHFFFAOYSA-N -1 1 324.833 3.797 20 0 DHADMM CC(C)=CCSc1ccccc1C(=O)Nc1c(C)[n-][nH]c1=O ZINC000646409733 1040677161 /nfs/dbraw/zinc/67/71/61/1040677161.db2.gz VVOOEAYOSOBMAK-UHFFFAOYSA-N -1 1 317.414 3.734 20 0 DHADMM CSCCc1ccccc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000601979071 1040840737 /nfs/dbraw/zinc/84/07/37/1040840737.db2.gz CTNUTARHIPZHSH-UHFFFAOYSA-N -1 1 321.467 3.701 20 0 DHADMM C[C@@H](CC(=O)Nc1ccc([O-])c(Cl)c1)C(=O)c1ccccc1 ZINC000602332156 1040971946 /nfs/dbraw/zinc/97/19/46/1040971946.db2.gz UDSZSILBRFQTDF-NSHDSACASA-N -1 1 317.772 3.893 20 0 DHADMM COc1cccc2c1[C@@H](C(=O)Nc1ccc([O-])c(Cl)c1)CC2 ZINC000343305802 335019642 /nfs/dbraw/zinc/01/96/42/335019642.db2.gz VIHCDFRCODNANZ-LBPRGKRZSA-N -1 1 317.772 3.723 20 0 DHADMM Cc1cnc([C@H](C)[N-]c2nc(-c3ccc(C)cc3)no2)s1 ZINC000272253952 130013841 /nfs/dbraw/zinc/01/38/41/130013841.db2.gz MAIPMTIAIYILDU-NSHDSACASA-N -1 1 300.387 3.983 20 0 DHADMM CC(C)C(=O)c1ccc([C@@H](C)C(=O)[N-]OC2CCCC2)cc1 ZINC000284494769 131086312 /nfs/dbraw/zinc/08/63/12/131086312.db2.gz UPKSRTWJEYUBAB-CYBMUJFWSA-N -1 1 303.402 3.619 20 0 DHADMM CC(=O)Nc1ccc([O-])c(-c2nc(CC3(C)CCCC3)no2)c1 ZINC000289019400 131352442 /nfs/dbraw/zinc/35/24/42/131352442.db2.gz FMKLWKFUNKDRSY-UHFFFAOYSA-N -1 1 315.373 3.523 20 0 DHADMM C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1c(F)ccc([O-])c1F ZINC000289087379 131357463 /nfs/dbraw/zinc/35/74/63/131357463.db2.gz BFWIWEDDRDCDCM-DGCLKSJQSA-N -1 1 317.335 3.689 20 0 DHADMM C[C@@H]1C(=O)CC[C@H](c2nc(-c3ccc([O-])cc3F)no2)C1(C)C ZINC000289181963 131363619 /nfs/dbraw/zinc/36/36/19/131363619.db2.gz WJEYOLFKJHMDPD-BXKDBHETSA-N -1 1 318.348 3.690 20 0 DHADMM C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1c(F)ccc([O-])c1F ZINC000289572838 131396960 /nfs/dbraw/zinc/39/69/60/131396960.db2.gz JPOJVYVCPYGPJA-YPMHNXCESA-N -1 1 317.335 3.689 20 0 DHADMM CC(C)N(Cc1cccs1)Cc1nc(=O)c2sccc2[n-]1 ZINC000299172439 132093018 /nfs/dbraw/zinc/09/30/18/132093018.db2.gz SXKULHFMKWHIJM-UHFFFAOYSA-N -1 1 319.455 3.869 20 0 DHADMM C[C@@H](C1CC1)n1cc([N-]c2nnc(-c3ccccn3)s2)cn1 ZINC000516806004 429383512 /nfs/dbraw/zinc/38/35/12/429383512.db2.gz IPOPDUORMUSEPZ-JTQLQIEISA-N -1 1 312.402 3.511 20 0 DHADMM CC[C@@H](C)n1ncc([N-]c2nn3cc(C)nc3s2)c1C1CC1 ZINC000535692921 435344117 /nfs/dbraw/zinc/34/41/17/435344117.db2.gz VALIZDMQGRIEFS-SNVBAGLBSA-N -1 1 316.434 3.888 20 0 DHADMM CCS[C@H]1CC[C@H](N(C)C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000175392330 332889271 /nfs/dbraw/zinc/88/92/71/332889271.db2.gz POUXKDDLAZOSPM-RYUDHWBXSA-N -1 1 313.850 3.792 20 0 DHADMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000533689752 331646118 /nfs/dbraw/zinc/64/61/18/331646118.db2.gz NIJWGJZYTXQBOW-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM Cc1cccc2[nH]cc(Cc3nc(-c4ccc([O-])c(F)c4)no3)c21 ZINC000445482966 331933850 /nfs/dbraw/zinc/93/38/50/331933850.db2.gz UKARYORCCWQKMU-UHFFFAOYSA-N -1 1 323.327 3.962 20 0 DHADMM Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000091481138 332071311 /nfs/dbraw/zinc/07/13/11/332071311.db2.gz SIOWLNGNILTNNV-UHFFFAOYSA-N -1 1 315.316 3.815 20 0 DHADMM C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)c1ccccc1 ZINC000132813184 332133707 /nfs/dbraw/zinc/13/37/07/332133707.db2.gz VKGOUXSFQWXDHH-SNVBAGLBSA-N -1 1 320.186 3.646 20 0 DHADMM O=C([O-])[C@@H](NCc1cc(Cl)ccc1F)c1cccc(F)c1 ZINC000426810490 332151943 /nfs/dbraw/zinc/15/19/43/332151943.db2.gz ZUOPMJFYCCUJMP-AWEZNQCLSA-N -1 1 311.715 3.534 20 0 DHADMM Cc1cc(Cl)ccc1CN[C@H](C(=O)[O-])c1ccccc1F ZINC000426780790 332152338 /nfs/dbraw/zinc/15/23/38/332152338.db2.gz AKNIBOSFHWKEBV-HNNXBMFYSA-N -1 1 307.752 3.703 20 0 DHADMM CCCc1cccc(CN[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000426780642 332152427 /nfs/dbraw/zinc/15/24/27/332152427.db2.gz UUHMUWOCDWTCDQ-KRWDZBQOSA-N -1 1 301.361 3.694 20 0 DHADMM Cc1cc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)ccc1F ZINC000426783626 332152876 /nfs/dbraw/zinc/15/28/76/332152876.db2.gz JWAZBTBIAVRIAF-INIZCTEOSA-N -1 1 323.314 3.718 20 0 DHADMM Cc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)cc1F ZINC000426786171 332153308 /nfs/dbraw/zinc/15/33/08/332153308.db2.gz TZHOLBMUDVUAAZ-INIZCTEOSA-N -1 1 323.314 3.718 20 0 DHADMM Cc1ccc(CN[C@@H](CC(=O)[O-])c2ccc(C(C)C)cc2)nc1 ZINC000426811644 332156743 /nfs/dbraw/zinc/15/67/43/332156743.db2.gz UWOOWSXBMJBQQW-SFHVURJKSA-N -1 1 312.413 3.819 20 0 DHADMM CCCCN(Cc1ccccc1Cl)C(=O)c1ncccc1[O-] ZINC000427122828 332168908 /nfs/dbraw/zinc/16/89/08/332168908.db2.gz FHQNQQSBFWADQK-UHFFFAOYSA-N -1 1 318.804 3.883 20 0 DHADMM CC[C@@H](C)C(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000560503422 332347405 /nfs/dbraw/zinc/34/74/05/332347405.db2.gz OILRJLTZSSJWKA-ZCFIWIBFSA-N -1 1 306.587 3.793 20 0 DHADMM COc1c2ccccc2[nH]c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000560598275 332367560 /nfs/dbraw/zinc/36/75/60/332367560.db2.gz DGQRGCKMCAEGMX-UHFFFAOYSA-N -1 1 316.744 3.788 20 0 DHADMM C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000180332628 333027959 /nfs/dbraw/zinc/02/79/59/333027959.db2.gz XTBOMAKNBMCYJU-AOOOYVTPSA-N -1 1 301.308 3.529 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1C[C@@H]2CCCC[C@H]2C1 ZINC000180695047 333028527 /nfs/dbraw/zinc/02/85/27/333028527.db2.gz MPFGYDJZRGJTBJ-QWRGUYRKSA-N -1 1 313.319 3.673 20 0 DHADMM COc1ccc(C(=O)Nc2ccc(C(C)=O)c(Cl)c2)c([O-])c1 ZINC000180585228 333029061 /nfs/dbraw/zinc/02/90/61/333029061.db2.gz CJPXEXHPJAOHGQ-UHFFFAOYSA-N -1 1 319.744 3.509 20 0 DHADMM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc([O-])cc1F ZINC000181246514 333029730 /nfs/dbraw/zinc/02/97/30/333029730.db2.gz RLTABVKIVDMEBU-QGZVFWFLSA-N -1 1 319.351 3.668 20 0 DHADMM O=C(Nc1ccc(F)cc1OCC1CC1)c1ccc([O-])cc1F ZINC000181995078 333036387 /nfs/dbraw/zinc/03/63/87/333036387.db2.gz XKNQGHUMQUMJPX-UHFFFAOYSA-N -1 1 319.307 3.712 20 0 DHADMM O=C([O-])c1cnc2ccccc2c1N1CC=C(C(F)(F)F)CC1 ZINC000323405003 333122494 /nfs/dbraw/zinc/12/24/94/333122494.db2.gz LMACIYZTHOYYSE-UHFFFAOYSA-N -1 1 322.286 3.632 20 0 DHADMM O=c1nc(CN2CCCC3(CCCC3)C2)[n-]c2ccsc21 ZINC000445845061 333131201 /nfs/dbraw/zinc/13/12/01/333131201.db2.gz NLXXNRAJYQTXEU-UHFFFAOYSA-N -1 1 303.431 3.553 20 0 DHADMM Cc1cnn(CCCCCSc2nc(C3CC3)cc(=O)[n-]2)c1 ZINC000188145650 333160206 /nfs/dbraw/zinc/16/02/06/333160206.db2.gz OMHGUXOSEWIZGC-UHFFFAOYSA-N -1 1 318.446 3.527 20 0 DHADMM CC[C@H]1CCC[N@@H+](CCOc2ccc(C(=O)[O-])cc2Cl)C1 ZINC000565308902 333264585 /nfs/dbraw/zinc/26/45/85/333264585.db2.gz DLRBXWSVNYJCIF-LBPRGKRZSA-N -1 1 311.809 3.539 20 0 DHADMM CCc1cc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)ccc1C ZINC000319218836 333274195 /nfs/dbraw/zinc/27/41/95/333274195.db2.gz SOYXRXSWVONSBB-UHFFFAOYSA-N -1 1 317.410 3.561 20 0 DHADMM CCOc1cc(C(=O)N[C@@H]2CCC[C@@H](C)C2)cc(Cl)c1[O-] ZINC000186569050 335158547 /nfs/dbraw/zinc/15/85/47/335158547.db2.gz GGXXKOOGVZKCGA-ZYHUDNBSSA-N -1 1 311.809 3.753 20 0 DHADMM CC(C)[C@H](CNC(=O)c1ccc([O-])cc1F)Cc1ccccc1 ZINC000436839698 334005859 /nfs/dbraw/zinc/00/58/59/334005859.db2.gz UWYNGXBJCOZUDK-HNNXBMFYSA-N -1 1 315.388 3.776 20 0 DHADMM CCc1ccc([C@@H]2CCN(C(=O)c3ccc([O-])cc3F)C2)cc1 ZINC000436854484 334008977 /nfs/dbraw/zinc/00/89/77/334008977.db2.gz SMRKLUZJDRNJBN-OAHLLOKOSA-N -1 1 313.372 3.723 20 0 DHADMM Cc1ccc(CNCc2ccc(C(=O)[O-])cc2)c(OC(C)C)c1 ZINC000414634536 334048844 /nfs/dbraw/zinc/04/88/44/334048844.db2.gz CGEHCEQDHCZAHF-UHFFFAOYSA-N -1 1 313.397 3.770 20 0 DHADMM C[C@H](C[N@@H+](C)Cc1ccc(-c2ccccc2)cc1F)C(=O)[O-] ZINC000414661815 334059987 /nfs/dbraw/zinc/05/99/87/334059987.db2.gz YBRVQIBUXHCDGC-CYBMUJFWSA-N -1 1 301.361 3.645 20 0 DHADMM CC[C@H](C)N(CC(=O)[O-])Cc1ccc(Sc2ccccn2)o1 ZINC000414670951 334065187 /nfs/dbraw/zinc/06/51/87/334065187.db2.gz AIGDPMRZWCANSS-LBPRGKRZSA-N -1 1 320.414 3.511 20 0 DHADMM CCN(C(=O)c1cc(F)ccc1[O-])[C@H](C)Cc1ccsc1 ZINC000275225325 334070260 /nfs/dbraw/zinc/07/02/60/334070260.db2.gz OIXXQCDRYOIAFO-LLVKDONJSA-N -1 1 307.390 3.686 20 0 DHADMM O=S(=O)(Cc1ccccc1Cl)[N-]c1cccc(C2CC2)n1 ZINC000295246387 334221323 /nfs/dbraw/zinc/22/13/23/334221323.db2.gz VVPHPHAUUUUENV-UHFFFAOYSA-N -1 1 322.817 3.554 20 0 DHADMM CCC[C@H]1CCCN(C(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000443053927 338442477 /nfs/dbraw/zinc/44/24/77/338442477.db2.gz CAXDEAVMKXGYDQ-NSHDSACASA-N -1 1 311.809 3.707 20 0 DHADMM O=C(CCc1cccc(F)c1F)Nc1ccc([O-])c(Cl)c1 ZINC000111667040 334352620 /nfs/dbraw/zinc/35/26/20/334352620.db2.gz IXDGBXKGSLAHDB-UHFFFAOYSA-N -1 1 311.715 3.895 20 0 DHADMM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(F)cc1[O-] ZINC000532012758 334373816 /nfs/dbraw/zinc/37/38/16/334373816.db2.gz CIIHPNKHFPEIIT-JTQLQIEISA-N -1 1 323.751 3.899 20 0 DHADMM CC[C@@H](C)c1ccc([C@@H](NCc2n[nH]c(=O)[n-]2)C(C)C)cc1 ZINC000340923875 334393781 /nfs/dbraw/zinc/39/37/81/334393781.db2.gz YRWZGXWXFSYYPQ-WBMJQRKESA-N -1 1 302.422 3.511 20 0 DHADMM CC[C@H](C)c1ccc([C@@H](NCc2n[nH]c(=O)[n-]2)C(C)C)cc1 ZINC000340923869 334393838 /nfs/dbraw/zinc/39/38/38/334393838.db2.gz YRWZGXWXFSYYPQ-LRDDRELGSA-N -1 1 302.422 3.511 20 0 DHADMM CCOc1cc(C(=O)N2CCCC23CCC3)cc(Cl)c1[O-] ZINC000366753124 334492229 /nfs/dbraw/zinc/49/22/29/334492229.db2.gz XJAHDFYGHNETIA-UHFFFAOYSA-N -1 1 309.793 3.603 20 0 DHADMM CCOc1cccc(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000443403504 338450867 /nfs/dbraw/zinc/45/08/67/338450867.db2.gz PCPXOZFEEDYJJK-UHFFFAOYSA-N -1 1 305.399 3.503 20 0 DHADMM CC(=O)c1cc(F)c([N-]C(=O)c2nc(C3CC3)oc2C)c(F)c1 ZINC000342708690 334567446 /nfs/dbraw/zinc/56/74/46/334567446.db2.gz IZVFGYMZAXHMNH-UHFFFAOYSA-N -1 1 320.295 3.594 20 0 DHADMM O=C(Nc1cccc(OC(F)F)c1)c1c(F)ccc([O-])c1F ZINC000343074584 334600832 /nfs/dbraw/zinc/60/08/32/334600832.db2.gz VPUCGYZMDXLVPG-UHFFFAOYSA-N -1 1 315.222 3.524 20 0 DHADMM CCc1cc2c([nH]c(-c3ccc([O-])cc3Cl)nc2=O)s1 ZINC000190096597 334922048 /nfs/dbraw/zinc/92/20/48/334922048.db2.gz SMGIAIXYLCFMPU-UHFFFAOYSA-N -1 1 306.774 3.573 20 0 DHADMM CCC(CC)n1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)n1 ZINC000445480721 338496243 /nfs/dbraw/zinc/49/62/43/338496243.db2.gz MZRVYPTVWMNFGP-UHFFFAOYSA-N -1 1 316.336 3.806 20 0 DHADMM CCSc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cn1 ZINC000445478809 338496305 /nfs/dbraw/zinc/49/63/05/338496305.db2.gz IEAXOJXTCABZNX-UHFFFAOYSA-N -1 1 317.345 3.755 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3cccc4cccnc43)n2)cc1F ZINC000445482017 338496424 /nfs/dbraw/zinc/49/64/24/338496424.db2.gz OFGHCYRWIUCKBW-UHFFFAOYSA-N -1 1 321.311 3.720 20 0 DHADMM CCOc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)ccc1C ZINC000445481204 338496468 /nfs/dbraw/zinc/49/64/68/338496468.db2.gz LAJSCFNRXLFFMU-UHFFFAOYSA-N -1 1 314.316 3.955 20 0 DHADMM O=C(Nc1ccc(Cl)cc1[O-])c1ccn(C2CCCC2)n1 ZINC000332000259 336155633 /nfs/dbraw/zinc/15/56/33/336155633.db2.gz XNRCXNAQMSFFFA-UHFFFAOYSA-N -1 1 305.765 3.610 20 0 DHADMM CCCN(C(=O)c1ncc(C)cc1[O-])[C@H]1CCc2ccccc2C1 ZINC000332597181 336175578 /nfs/dbraw/zinc/17/55/78/336175578.db2.gz LHBGCYHCJOPQSY-KRWDZBQOSA-N -1 1 324.424 3.505 20 0 DHADMM Oc1cc(F)cc(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000351983451 336185904 /nfs/dbraw/zinc/18/59/04/336185904.db2.gz SALHKCBEDIQXOC-GFCCVEGCSA-N -1 1 307.315 3.799 20 0 DHADMM CC(C)CCSCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000352570416 336225121 /nfs/dbraw/zinc/22/51/21/336225121.db2.gz GZERCUIOAJWKCH-UHFFFAOYSA-N -1 1 319.430 3.500 20 0 DHADMM CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000532621152 336257152 /nfs/dbraw/zinc/25/71/52/336257152.db2.gz FWCDHSDBLFGMAW-NSHDSACASA-N -1 1 303.333 3.961 20 0 DHADMM O=C(Nc1ccccc1Cc1ccccc1)c1ccc(O)cc1[O-] ZINC000192665384 336258337 /nfs/dbraw/zinc/25/83/37/336258337.db2.gz WWFNILZBOPNXHF-UHFFFAOYSA-N -1 1 319.360 3.941 20 0 DHADMM CCOc1cc(C(=O)N(CC)C[C@@H](C)CC)cc(Cl)c1[O-] ZINC000358105680 336611975 /nfs/dbraw/zinc/61/19/75/336611975.db2.gz IHUDBIRQRIBWGQ-NSHDSACASA-N -1 1 313.825 3.953 20 0 DHADMM COc1cc(C(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)cc(Cl)c1[O-] ZINC000360232583 336705552 /nfs/dbraw/zinc/70/55/52/336705552.db2.gz CPHBZGJESOQMKM-YPMHNXCESA-N -1 1 323.820 3.705 20 0 DHADMM Cc1noc([C@H]([N-]c2nc3cc(F)ccc3o2)c2ccccc2)n1 ZINC000371639036 336909660 /nfs/dbraw/zinc/90/96/60/336909660.db2.gz AVCRNNCLXQPQDX-OAHLLOKOSA-N -1 1 324.315 3.860 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c(C)c1 ZINC000193484310 337008884 /nfs/dbraw/zinc/00/88/84/337008884.db2.gz SXJSNALBHFIVHB-UHFFFAOYSA-N -1 1 300.383 3.586 20 0 DHADMM [O-]c1ccc(-c2noc([C@@H]3OC[C@H]4CCC[C@@H]34)n2)c(Cl)c1 ZINC000377781188 337060889 /nfs/dbraw/zinc/06/08/89/337060889.db2.gz MPUCHGIJUMTBNY-ZDSQKVDBSA-N -1 1 306.749 3.583 20 0 DHADMM Cc1noc(Cl)c1CCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182871067 337190484 /nfs/dbraw/zinc/19/04/84/337190484.db2.gz CLOVFJMJWZYBSU-UHFFFAOYSA-N -1 1 315.156 3.567 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1nc2ccccc2s1 ZINC000182866674 337190524 /nfs/dbraw/zinc/19/05/24/337190524.db2.gz XNMGGULZONFJGU-UHFFFAOYSA-N -1 1 304.758 3.908 20 0 DHADMM COc1ccccc1C[C@H](C)[N@@H+](C)Cc1csc(C(=O)[O-])c1 ZINC000583147347 337245984 /nfs/dbraw/zinc/24/59/84/337245984.db2.gz MTUBXCDJLVTPGP-LBPRGKRZSA-N -1 1 319.426 3.518 20 0 DHADMM CCCCc1ccc(C(=O)CSc2ncc(C)c(=O)[n-]2)cc1 ZINC000583155337 337247478 /nfs/dbraw/zinc/24/74/78/337247478.db2.gz QRTUZTCJJHVUTG-UHFFFAOYSA-N -1 1 316.426 3.808 20 0 DHADMM O=c1cc(C(F)F)nc(SCc2cc(F)cc(F)c2)[n-]1 ZINC000583230836 337281057 /nfs/dbraw/zinc/28/10/57/337281057.db2.gz CHVZDEOQKDZFIJ-UHFFFAOYSA-N -1 1 304.268 3.690 20 0 DHADMM CCCOc1ccccc1NC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000030605454 337390321 /nfs/dbraw/zinc/39/03/21/337390321.db2.gz XBVIHAWXJRQPQC-UHFFFAOYSA-N -1 1 311.341 3.711 20 0 DHADMM O=S(=O)(Cc1ccc(Cl)cc1Cl)c1ccc([O-])cc1 ZINC000049489018 337438650 /nfs/dbraw/zinc/43/86/50/337438650.db2.gz SSZXAFWQTDDYCJ-UHFFFAOYSA-N -1 1 317.193 3.673 20 0 DHADMM C[C@H](Oc1cccc(F)c1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445476036 337495827 /nfs/dbraw/zinc/49/58/27/337495827.db2.gz XVBWOWNRVKNOFF-VIFPVBQESA-N -1 1 318.279 3.860 20 0 DHADMM CCc1ccc(C(=O)CSc2nc(C(F)F)cc(=O)[n-]2)cc1 ZINC000571927791 337582113 /nfs/dbraw/zinc/58/21/13/337582113.db2.gz PKGKAEPTVGJODD-UHFFFAOYSA-N -1 1 324.352 3.657 20 0 DHADMM CCC[C@@H](NCc1ccc(-c2cccc(F)c2C)o1)C(=O)[O-] ZINC000262692462 337620586 /nfs/dbraw/zinc/62/05/86/337620586.db2.gz GRWCOBOIFWFSPO-OAHLLOKOSA-N -1 1 305.349 3.737 20 0 DHADMM CCOc1cc(-c2noc(CC3CCC3)n2)cc(Cl)c1[O-] ZINC000445423683 337725881 /nfs/dbraw/zinc/72/58/81/337725881.db2.gz ZDIGUEJCUYSWQV-UHFFFAOYSA-N -1 1 308.765 3.837 20 0 DHADMM CCO[C@@H](Cc1nc(-c2ccc([O-])cc2Cl)no1)C(C)C ZINC000445447386 337845351 /nfs/dbraw/zinc/84/53/51/337845351.db2.gz OPRUPUIERNSNQN-ZDUSSCGKSA-N -1 1 310.781 3.699 20 0 DHADMM CC(C)c1cc(-c2nc(-c3ccc([O-])cc3Cl)no2)n[nH]1 ZINC000445448783 337856035 /nfs/dbraw/zinc/85/60/35/337856035.db2.gz MIHDYVBAGMGAGP-UHFFFAOYSA-N -1 1 304.737 3.609 20 0 DHADMM C[C@H](c1ccncc1)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000122058515 337907341 /nfs/dbraw/zinc/90/73/41/337907341.db2.gz LWNTZRGYDKSITP-CYBMUJFWSA-N -1 1 306.365 3.774 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cc(C4CC4)on3)n2)c(Cl)c1 ZINC000445449994 337946938 /nfs/dbraw/zinc/94/69/38/337946938.db2.gz XBZOLPXKAFELSL-UHFFFAOYSA-N -1 1 303.705 3.628 20 0 DHADMM CC1(C)CC[C@](NCc2cccs2)(C(=O)[O-])c2ccccc21 ZINC000314900044 337973677 /nfs/dbraw/zinc/97/36/77/337973677.db2.gz BOUYHTNAEPBYPH-GOSISDBHSA-N -1 1 315.438 3.889 20 0 DHADMM CCc1ccc(OCc2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445453602 338016949 /nfs/dbraw/zinc/01/69/49/338016949.db2.gz IIKZTPHZRRJBCU-UHFFFAOYSA-N -1 1 314.316 3.723 20 0 DHADMM Cc1cc(Cl)cc(C)c1CNCc1ccc(C(=O)[O-])c(C)n1 ZINC000426663654 338037532 /nfs/dbraw/zinc/03/75/32/338037532.db2.gz MSUPKBAODAALGZ-UHFFFAOYSA-N -1 1 318.804 3.648 20 0 DHADMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2Cl)s1 ZINC000431154007 338124306 /nfs/dbraw/zinc/12/43/06/338124306.db2.gz SUDNNIJSFLRUES-UHFFFAOYSA-N -1 1 319.810 3.958 20 0 DHADMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2F)s1 ZINC000431156706 338124488 /nfs/dbraw/zinc/12/44/88/338124488.db2.gz NKPNYYCDBXQIOP-UHFFFAOYSA-N -1 1 319.810 3.958 20 0 DHADMM CCC(C)(C)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435433972 338240068 /nfs/dbraw/zinc/24/00/68/338240068.db2.gz QAVVMXFMDLDPNR-UHFFFAOYSA-N -1 1 314.209 3.599 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)cc1 ZINC000436198514 338261697 /nfs/dbraw/zinc/26/16/97/338261697.db2.gz NNYHUVMNPUCZSI-UHFFFAOYSA-N -1 1 300.383 3.586 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCCC[C@H]1C(F)F ZINC000436518065 338274754 /nfs/dbraw/zinc/27/47/54/338274754.db2.gz QBKJFZGUMUXCJJ-AWEZNQCLSA-N -1 1 305.324 3.805 20 0 DHADMM C[C@@H]1C[C@]1(NC(=O)c1ccc([O-])cc1F)c1ccc(Cl)cc1 ZINC000436516882 338274760 /nfs/dbraw/zinc/27/47/60/338274760.db2.gz XNOSYOACIHSXDG-BMLIUANNSA-N -1 1 319.763 3.850 20 0 DHADMM COc1ccc(F)cc1[C@@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000436520504 338274914 /nfs/dbraw/zinc/27/49/14/338274914.db2.gz GSVSTZLFLMYKMZ-SECBINFHSA-N -1 1 323.751 3.684 20 0 DHADMM O=C1CCCc2cc(-c3nc(-c4ccc([O-])cc4F)no3)ccc21 ZINC000436522016 338274957 /nfs/dbraw/zinc/27/49/57/338274957.db2.gz PZQYZKLNBZYFPF-UHFFFAOYSA-N -1 1 324.311 3.767 20 0 DHADMM COc1ccc(-c2nc(-c3ccc(Cl)cc3F)no2)c([O-])c1 ZINC000436534236 338275758 /nfs/dbraw/zinc/27/57/58/338275758.db2.gz OHRPZQNCVPYWCW-UHFFFAOYSA-N -1 1 320.707 3.910 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N(Cc1ccc(F)cc1)CC1CC1 ZINC000436544664 338276338 /nfs/dbraw/zinc/27/63/38/338276338.db2.gz JZFBMKGODNFDDI-UHFFFAOYSA-N -1 1 317.335 3.723 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000436570199 338277681 /nfs/dbraw/zinc/27/76/81/338277681.db2.gz NQNJBRVYHQAREB-OAHLLOKOSA-N -1 1 305.736 3.772 20 0 DHADMM O=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)c1cc(F)ccc1[O-] ZINC000436577669 338278042 /nfs/dbraw/zinc/27/80/42/338278042.db2.gz OWDPJEUMZPEREX-JOYOIKCWSA-N -1 1 319.298 3.630 20 0 DHADMM C[C@@]1(c2ccccc2)CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000436584882 338278481 /nfs/dbraw/zinc/27/84/81/338278481.db2.gz QTJWVHNISLAIOV-GOSISDBHSA-N -1 1 315.800 3.849 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CCc2ccc(F)c(F)c2C1 ZINC000436607594 338279786 /nfs/dbraw/zinc/27/97/86/338279786.db2.gz SPJACOWAPSXOQO-UHFFFAOYSA-N -1 1 323.726 3.522 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCc2cc(F)ccc21 ZINC000436621136 338280347 /nfs/dbraw/zinc/28/03/47/338280347.db2.gz BCQOCIHBYVAXPF-UHFFFAOYSA-N -1 1 307.324 3.887 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H]1/C=C\c1ccccc1 ZINC000436626422 338280550 /nfs/dbraw/zinc/28/05/50/338280550.db2.gz IQBAQNCVWLWHAX-YHWKNFMLSA-N -1 1 311.356 3.849 20 0 DHADMM COc1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])cc1OC ZINC000436637589 338281061 /nfs/dbraw/zinc/28/10/61/338281061.db2.gz XCFPNZABVMTNPV-UHFFFAOYSA-N -1 1 315.369 3.785 20 0 DHADMM CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(Cl)cc2O)c1 ZINC000436652622 338281648 /nfs/dbraw/zinc/28/16/48/338281648.db2.gz OYTUTFSOCSHKKI-UHFFFAOYSA-N -1 1 319.744 3.596 20 0 DHADMM CCN(CC(C)(C)C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436656721 338281789 /nfs/dbraw/zinc/28/17/89/338281789.db2.gz ODAOZHITYACRML-UHFFFAOYSA-N -1 1 303.324 3.919 20 0 DHADMM Cn1c2cccc(F)c2nc1-c1ccc([O-])c(Br)c1 ZINC000436657042 338281892 /nfs/dbraw/zinc/28/18/92/338281892.db2.gz OPOPMEYUTMPEIW-UHFFFAOYSA-N -1 1 321.149 3.848 20 0 DHADMM C[C@@H]1CCN(C(=O)c2ccc([O-])cc2F)CC12CCCCC2 ZINC000436659961 338282092 /nfs/dbraw/zinc/28/20/92/338282092.db2.gz BLEBDTLDZXOMES-CYBMUJFWSA-N -1 1 305.393 3.964 20 0 DHADMM CC(C)c1nnc(NC(=O)c2ccc(C(C)C)cc2[O-])s1 ZINC000436668859 338282260 /nfs/dbraw/zinc/28/22/60/338282260.db2.gz YRFGWMQDVGVKTQ-UHFFFAOYSA-N -1 1 305.403 3.743 20 0 DHADMM [O-]c1ccc(-c2nc(COc3ccc(Cl)cc3)no2)c(F)c1 ZINC000436685518 338282858 /nfs/dbraw/zinc/28/28/58/338282858.db2.gz BHYAETMXAOJCQH-UHFFFAOYSA-N -1 1 320.707 3.814 20 0 DHADMM Cc1nc(NC(=O)c2ccc(O)cc2[O-])ccc1-c1ccccc1 ZINC000436694504 338283154 /nfs/dbraw/zinc/28/31/54/338283154.db2.gz BDALMDJRHSHBGB-UHFFFAOYSA-N -1 1 320.348 3.721 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCc2cc(F)ccc2C1 ZINC000436703626 338283269 /nfs/dbraw/zinc/28/32/69/338283269.db2.gz MGIOXKOADKQGFU-UHFFFAOYSA-N -1 1 321.351 3.883 20 0 DHADMM O=C(Nc1ccc2c3c(cccc31)CC2)c1ccc(O)cc1[O-] ZINC000436709950 338283633 /nfs/dbraw/zinc/28/36/33/338283633.db2.gz PVIMHYGRBJBRHV-UHFFFAOYSA-N -1 1 305.333 3.602 20 0 DHADMM Cc1cccc(OCCN(C)C(=O)c2ccc(Cl)cc2[O-])c1 ZINC000436722512 338284107 /nfs/dbraw/zinc/28/41/07/338284107.db2.gz OROOKCOSJBXSMR-UHFFFAOYSA-N -1 1 319.788 3.505 20 0 DHADMM COCC(C)(C)CCCNC(=O)c1cc2ccccc2cc1[O-] ZINC000436733615 338284667 /nfs/dbraw/zinc/28/46/67/338284667.db2.gz HZSXVLJGUVPSNB-UHFFFAOYSA-N -1 1 315.413 3.728 20 0 DHADMM CCCc1nnc(NC(=O)c2ccc3ccccc3c2[O-])s1 ZINC000436737742 338284860 /nfs/dbraw/zinc/28/48/60/338284860.db2.gz KCYWHFAYWPYKLU-UHFFFAOYSA-N -1 1 313.382 3.602 20 0 DHADMM CC[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436761852 338286105 /nfs/dbraw/zinc/28/61/05/338286105.db2.gz AKBFAKZIOMXYQB-LLVKDONJSA-N -1 1 301.308 3.816 20 0 DHADMM CN(C(=O)c1ccccc1[O-])c1cccc(OC(F)(F)F)c1 ZINC000436765872 338286429 /nfs/dbraw/zinc/28/64/29/338286429.db2.gz CDFADPHCPLPGJK-UHFFFAOYSA-N -1 1 311.259 3.567 20 0 DHADMM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc([O-])cc1F ZINC000436793720 338287576 /nfs/dbraw/zinc/28/75/76/338287576.db2.gz SLKVRWHBCVGDKC-IIYDPXPESA-N -1 1 313.372 3.938 20 0 DHADMM O=C(Nc1cccc(F)c1F)c1ccc(C(F)(F)F)cc1[O-] ZINC000436796618 338287805 /nfs/dbraw/zinc/28/78/05/338287805.db2.gz WTNLVWOZCNTTAG-UHFFFAOYSA-N -1 1 317.213 3.942 20 0 DHADMM CC(C)(C)c1ncc(NC(=O)c2ccc3ccccc3c2[O-])cn1 ZINC000436798873 338287873 /nfs/dbraw/zinc/28/78/73/338287873.db2.gz WMTJNFUYGIFUTQ-UHFFFAOYSA-N -1 1 321.380 3.885 20 0 DHADMM C[C@@H]1CCN(C(=O)c2ccc3ccccc3c2[O-])CC1(F)F ZINC000436818273 338288505 /nfs/dbraw/zinc/28/85/05/338288505.db2.gz KBQFQIFHVOWTDC-LLVKDONJSA-N -1 1 305.324 3.663 20 0 DHADMM C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436829006 338289030 /nfs/dbraw/zinc/28/90/30/338289030.db2.gz RJAQTKYVNRFPRD-YGRLFVJLSA-N -1 1 323.314 3.958 20 0 DHADMM C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436829005 338289083 /nfs/dbraw/zinc/28/90/83/338289083.db2.gz RJAQTKYVNRFPRD-QMTHXVAHSA-N -1 1 323.314 3.958 20 0 DHADMM O=C(N[C@H](C1CC1)C(F)(F)F)c1cc2ccccc2cc1[O-] ZINC000436841847 338289477 /nfs/dbraw/zinc/28/94/77/338289477.db2.gz BHXKMPRTDJTQRN-CQSZACIVSA-N -1 1 309.287 3.616 20 0 DHADMM O=C(N[C@H](C1CC1)C(F)(F)F)c1ccc2ccccc2c1[O-] ZINC000436842304 338289693 /nfs/dbraw/zinc/28/96/93/338289693.db2.gz CTXFDEHWMSTCQQ-CQSZACIVSA-N -1 1 309.287 3.616 20 0 DHADMM O=C(Nc1nc2c(ccc(F)c2F)s1)c1ccccc1[O-] ZINC000436868524 338290647 /nfs/dbraw/zinc/29/06/47/338290647.db2.gz HZFKMARIGHURQG-UHFFFAOYSA-N -1 1 306.293 3.532 20 0 DHADMM [O-]c1ccc(-c2noc(C3Cc4ccccc4C3)n2)c(Cl)c1 ZINC000436871722 338290991 /nfs/dbraw/zinc/29/09/91/338290991.db2.gz KQAYYIHMDZZSLS-UHFFFAOYSA-N -1 1 312.756 3.978 20 0 DHADMM Cc1nc(CC(C)C)oc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000436873525 338290993 /nfs/dbraw/zinc/29/09/93/338290993.db2.gz NBPNUAAFKSUYFF-UHFFFAOYSA-N -1 1 317.320 3.743 20 0 DHADMM C[C@@H]1CCN(C(=O)c2ccc([O-])cc2F)[C@@H]1c1cccc(F)c1 ZINC000436878339 338291240 /nfs/dbraw/zinc/29/12/40/338291240.db2.gz FUHUCOXRGPCVOZ-DIFFPNOSSA-N -1 1 317.335 3.894 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cc4sccc4[nH]3)n2)c(F)c1 ZINC000436879359 338291436 /nfs/dbraw/zinc/29/14/36/338291436.db2.gz MNABBGXVQQXEOT-UHFFFAOYSA-N -1 1 301.302 3.791 20 0 DHADMM Cc1nc2cc(-c3nc(-c4ccc([O-])cc4F)no3)ccc2o1 ZINC000436879812 338291490 /nfs/dbraw/zinc/29/14/90/338291490.db2.gz OUKDXZZBTPGRBN-UHFFFAOYSA-N -1 1 311.272 3.698 20 0 DHADMM O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccc(O)c(Cl)c1 ZINC000436910549 338292988 /nfs/dbraw/zinc/29/29/88/338292988.db2.gz RMNJQJDTHGDETB-UHFFFAOYSA-N -1 1 316.115 3.796 20 0 DHADMM COc1cccc([C@H](C)NC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000436908797 338293134 /nfs/dbraw/zinc/29/31/34/338293134.db2.gz KCIAWAOISMVFJH-JTQLQIEISA-N -1 1 305.761 3.545 20 0 DHADMM O=C(Nc1ccc(Oc2ccccn2)cc1)c1ccc(O)cc1[O-] ZINC000436913531 338293230 /nfs/dbraw/zinc/29/32/30/338293230.db2.gz YRTUODZPBCQUQY-UHFFFAOYSA-N -1 1 322.320 3.537 20 0 DHADMM CC(C)Oc1ccc([C@@H](C)NC(=O)c2c([O-])cccc2F)cc1 ZINC000436947899 338295345 /nfs/dbraw/zinc/29/53/45/338295345.db2.gz VREHOKWPBLJRMM-GFCCVEGCSA-N -1 1 317.360 3.810 20 0 DHADMM CCOc1cc(-c2nc(-c3cscn3)no2)cc(Cl)c1[O-] ZINC000436957029 338295825 /nfs/dbraw/zinc/29/58/25/338295825.db2.gz VKYXHAQAZSSMID-UHFFFAOYSA-N -1 1 323.761 3.618 20 0 DHADMM Cc1cccc(C2(c3noc(-c4cc(F)ccc4[O-])n3)CC2)c1 ZINC000436956390 338295991 /nfs/dbraw/zinc/29/59/91/338295991.db2.gz QUDNFRBHHJEDHX-UHFFFAOYSA-N -1 1 310.328 3.970 20 0 DHADMM COc1ccc(-c2nc([C@H](C)c3ccccc3C)no2)c([O-])c1 ZINC000436960265 338296054 /nfs/dbraw/zinc/29/60/54/338296054.db2.gz GLZNKUZXKYWTBL-GFCCVEGCSA-N -1 1 310.353 3.911 20 0 DHADMM O=C(NCc1cccc(-c2cccnc2)c1)c1c([O-])cccc1F ZINC000436978150 338296389 /nfs/dbraw/zinc/29/63/89/338296389.db2.gz ULEGLQNLFCFOPH-UHFFFAOYSA-N -1 1 322.339 3.523 20 0 DHADMM COc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1OC(C)C ZINC000436978863 338296421 /nfs/dbraw/zinc/29/64/21/338296421.db2.gz IKINRJFDKFFXMA-UHFFFAOYSA-N -1 1 319.332 3.579 20 0 DHADMM CSc1ccccc1CN(C)C(=O)c1ccc([O-])cc1F ZINC000436986446 338296836 /nfs/dbraw/zinc/29/68/36/338296836.db2.gz GALUKJYTFOMGAR-UHFFFAOYSA-N -1 1 305.374 3.525 20 0 DHADMM O=C(N[C@@H](CC1CCC1)c1ccccc1)C(=O)c1ccc([O-])cc1 ZINC000436994972 338297129 /nfs/dbraw/zinc/29/71/29/338297129.db2.gz BFQBKZICZHOBNX-SFHVURJKSA-N -1 1 323.392 3.623 20 0 DHADMM O=C(N[C@@H]1C[C@H]1c1cccc2ccccc21)c1ccc([O-])cc1F ZINC000436998221 338297214 /nfs/dbraw/zinc/29/72/14/338297214.db2.gz IJJFGSMDNIJPDT-PKOBYXMFSA-N -1 1 321.351 3.970 20 0 DHADMM Cc1ccc([C@@H]2CCN(C(=O)c3ccc([O-])cc3F)C2)c(C)c1 ZINC000437005097 338297560 /nfs/dbraw/zinc/29/75/60/338297560.db2.gz WHIKYYXJGZTYBS-CQSZACIVSA-N -1 1 313.372 3.778 20 0 DHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(Cl)c(F)c1 ZINC000438804922 338352318 /nfs/dbraw/zinc/35/23/18/338352318.db2.gz KINRWSROYGBPFR-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)cc1 ZINC000442841393 338434224 /nfs/dbraw/zinc/43/42/24/338434224.db2.gz ABLZMQJHOUCEHL-UHFFFAOYSA-N -1 1 301.367 3.796 20 0 DHADMM O=S(=O)([N-]c1ccc2ccoc2c1)c1ccc2c(c1)CCC2 ZINC000442848733 338434466 /nfs/dbraw/zinc/43/44/66/338434466.db2.gz MZXZCZTXIZIBOY-UHFFFAOYSA-N -1 1 313.378 3.722 20 0 DHADMM COc1cc(C)cc([N-]S(=O)(=O)c2ccc(F)cc2C)c1C ZINC000447266653 338547874 /nfs/dbraw/zinc/54/78/74/338547874.db2.gz XZELFJBPWNSVTI-UHFFFAOYSA-N -1 1 323.389 3.560 20 0 DHADMM Cc1cc(-c2csc(NC(=O)c3ccccc3[O-])n2)c(C)o1 ZINC000195560328 338908640 /nfs/dbraw/zinc/90/86/40/338908640.db2.gz DNATZYGZLMXTKP-UHFFFAOYSA-N -1 1 314.366 3.978 20 0 DHADMM O=C(c1ncccc1[O-])N1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000456386930 338928480 /nfs/dbraw/zinc/92/84/80/338928480.db2.gz RTYCAYOHZAPIGT-AWEZNQCLSA-N -1 1 316.788 3.808 20 0 DHADMM Cc1cnc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2C)c([O-])c1 ZINC000456860867 338944554 /nfs/dbraw/zinc/94/45/54/338944554.db2.gz WJDLNCRFJVDRMH-OAHLLOKOSA-N -1 1 314.360 3.520 20 0 DHADMM Cc1cnc(C(=O)N2CCC[C@@H]2c2cccc(C)c2C)c([O-])c1 ZINC000460189584 339014503 /nfs/dbraw/zinc/01/45/03/339014503.db2.gz DMKILMMJYONXJY-MRXNPFEDSA-N -1 1 310.397 3.690 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](C)C(C)(F)F)c1 ZINC000498216766 339119446 /nfs/dbraw/zinc/11/94/46/339119446.db2.gz QWTFHBMGTXAXDN-SSDOTTSWSA-N -1 1 322.149 3.693 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C)cc1Cl ZINC000467080531 339225867 /nfs/dbraw/zinc/22/58/67/339225867.db2.gz GOUWGAQEYMHZDJ-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)cc1 ZINC000479305902 339530900 /nfs/dbraw/zinc/53/09/00/339530900.db2.gz IXJZXKCXBWIQQY-UHFFFAOYSA-N -1 1 324.405 3.858 20 0 DHADMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc2[nH]ccc21 ZINC000485415944 339702937 /nfs/dbraw/zinc/70/29/37/339702937.db2.gz JSQRELAYIULZOC-UHFFFAOYSA-N -1 1 318.373 3.725 20 0 DHADMM COc1ccc2c(c1)CN(Cc1cccc([O-])c1Cl)CC2 ZINC000507785820 340231363 /nfs/dbraw/zinc/23/13/63/340231363.db2.gz FANWTGSIKLHWSZ-UHFFFAOYSA-N -1 1 303.789 3.613 20 0 DHADMM CCc1cc(=O)[n-]c(SC[C@H](OC)c2ccc(Cl)cc2)n1 ZINC000509074711 340260486 /nfs/dbraw/zinc/26/04/86/340260486.db2.gz NIAPMVDKAJDWQF-ZDUSSCGKSA-N -1 1 324.833 3.878 20 0 DHADMM CSc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c1 ZINC000509101350 340261262 /nfs/dbraw/zinc/26/12/62/340261262.db2.gz YORUEKDFHKEKEN-UHFFFAOYSA-N -1 1 319.451 3.698 20 0 DHADMM CCc1ccccc1[N-]S(=O)(=O)c1cccc(SC)c1 ZINC000509104551 340261496 /nfs/dbraw/zinc/26/14/96/340261496.db2.gz WYHFIUCVFOKXMX-UHFFFAOYSA-N -1 1 307.440 3.772 20 0 DHADMM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc(C)nc1 ZINC000509238947 340264277 /nfs/dbraw/zinc/26/42/77/340264277.db2.gz IUCJXDWGMDBIOS-UHFFFAOYSA-N -1 1 318.442 3.624 20 0 DHADMM C[C@H]1COc2ccccc2CN1Cc1cccc([O-])c1Cl ZINC000512359213 340358831 /nfs/dbraw/zinc/35/88/31/340358831.db2.gz CNCKAMWJCGHIPO-LBPRGKRZSA-N -1 1 303.789 3.829 20 0 DHADMM COc1c(C)cc(S(=O)(=O)[N-]c2cc(F)ccc2C)cc1C ZINC000512564207 340367118 /nfs/dbraw/zinc/36/71/18/340367118.db2.gz INDMKBJETMYUQL-UHFFFAOYSA-N -1 1 323.389 3.560 20 0 DHADMM CCOc1cc(C(=O)Nc2ccc(OC)cc2)cc(Cl)c1[O-] ZINC000193064816 340571998 /nfs/dbraw/zinc/57/19/98/340571998.db2.gz MRFLBDJMOXSNJZ-UHFFFAOYSA-N -1 1 321.760 3.705 20 0 DHADMM CCO[C@@H]1C[C@@H]1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529538704 340761083 /nfs/dbraw/zinc/76/10/83/340761083.db2.gz KDRVLMHUJVKLQK-SMDDNHRTSA-N -1 1 305.761 3.562 20 0 DHADMM CC(C)[C@](C)(O)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529539338 340761112 /nfs/dbraw/zinc/76/11/12/340761112.db2.gz QTIMSQRFIPLKLM-INIZCTEOSA-N -1 1 307.777 3.544 20 0 DHADMM CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(F)c2[O-])c1C(C)C ZINC000530006327 340775909 /nfs/dbraw/zinc/77/59/09/340775909.db2.gz RLQGBINWHPPZLT-UHFFFAOYSA-N -1 1 318.348 3.746 20 0 DHADMM CCc1nc(C(C)C)ccc1C(=O)Nc1cccc(F)c1[O-] ZINC000530006137 340775920 /nfs/dbraw/zinc/77/59/20/340775920.db2.gz PUFCCXNEUHJVSQ-UHFFFAOYSA-N -1 1 302.349 3.864 20 0 DHADMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1nc(C(C)(C)C)cs1 ZINC000530178128 340781749 /nfs/dbraw/zinc/78/17/49/340781749.db2.gz YTCIMSBFJGUXGR-QWRGUYRKSA-N -1 1 310.463 3.514 20 0 DHADMM CCCCc1nnc([N-]C(=O)c2nc3ccccc3s2)s1 ZINC000126586410 340828840 /nfs/dbraw/zinc/82/88/40/340828840.db2.gz AUJXLDKMLNTTLL-UHFFFAOYSA-N -1 1 318.427 3.743 20 0 DHADMM Cc1nc(S[C@H](C)C(=O)c2ccc(Cl)cc2)[n-]c(=O)c1C ZINC000538518289 340830768 /nfs/dbraw/zinc/83/07/68/340830768.db2.gz SPAXMDXARXTCMB-SNVBAGLBSA-N -1 1 322.817 3.816 20 0 DHADMM CCN1C(=O)c2ccccc2N[C@@H]1c1ccc([O-])c(Cl)c1 ZINC000067438785 340857743 /nfs/dbraw/zinc/85/77/43/340857743.db2.gz SHBHNCYQYXCNRK-HNNXBMFYSA-N -1 1 302.761 3.632 20 0 DHADMM CCOc1cc(C(=O)N(CC2CC2)C(C)C)cc(Cl)c1[O-] ZINC000545169791 341111099 /nfs/dbraw/zinc/11/10/99/341111099.db2.gz LDVWTZRPCZSDAX-UHFFFAOYSA-N -1 1 311.809 3.705 20 0 DHADMM COc1cc(C(=O)Nc2ccc(C)cc2F)cc(Cl)c1[O-] ZINC000545886031 341144249 /nfs/dbraw/zinc/14/42/49/341144249.db2.gz FEUDFKRFQVRPJV-UHFFFAOYSA-N -1 1 309.724 3.754 20 0 DHADMM COc1cc(C(=O)Nc2ccc(C)cc2OC)cc(Cl)c1[O-] ZINC000134971148 341227654 /nfs/dbraw/zinc/22/76/54/341227654.db2.gz ODTUNAVBFFARFX-UHFFFAOYSA-N -1 1 321.760 3.624 20 0 DHADMM CC(C)(C)C1CC([N-]S(=O)(=O)c2cc3ccccc3o2)C1 ZINC000549901009 341306168 /nfs/dbraw/zinc/30/61/68/341306168.db2.gz MNYKEENJTFBLRS-UHFFFAOYSA-N -1 1 307.415 3.536 20 0 DHADMM C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000087761597 341395143 /nfs/dbraw/zinc/39/51/43/341395143.db2.gz JERCZZIPSDBBNH-CQSZACIVSA-N -1 1 302.201 3.680 20 0 DHADMM C[C@@]1(C(=O)[O-])CCCN(Cc2cc(Cl)ccc2Cl)C1 ZINC000087761597 341395144 /nfs/dbraw/zinc/39/51/44/341395144.db2.gz JERCZZIPSDBBNH-CQSZACIVSA-N -1 1 302.201 3.680 20 0 DHADMM CCOc1cc([N-]S(=O)(=O)c2cccc(C)c2)ccc1C ZINC000555974815 341492065 /nfs/dbraw/zinc/49/20/65/341492065.db2.gz YJGCVBFBSFHMSY-UHFFFAOYSA-N -1 1 305.399 3.503 20 0 DHADMM O=C(NCc1cc2c(s1)CCCC2)c1c(F)ccc([O-])c1F ZINC000565799836 341538439 /nfs/dbraw/zinc/53/84/39/341538439.db2.gz BIDHMDDKGHEKRB-UHFFFAOYSA-N -1 1 323.364 3.541 20 0 DHADMM CS[C@@H]1CCCCN(C(=O)c2ccc3ccccc3c2[O-])C1 ZINC000154273224 341587461 /nfs/dbraw/zinc/58/74/61/341587461.db2.gz ABDIENWDELSEIM-CQSZACIVSA-N -1 1 315.438 3.903 20 0 DHADMM Cc1nc(C(F)(F)F)c(CSc2ncc(C)c(=O)[n-]2)s1 ZINC000568416356 341670717 /nfs/dbraw/zinc/67/07/17/341670717.db2.gz VAMVRINFSHZLJO-UHFFFAOYSA-N -1 1 321.349 3.567 20 0 DHADMM O=C(Nc1cccc2c1CCCC2)c1c(F)ccc([O-])c1F ZINC000569051571 341689452 /nfs/dbraw/zinc/68/94/52/341689452.db2.gz HALIYKXXLFJDQJ-UHFFFAOYSA-N -1 1 303.308 3.802 20 0 DHADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000574477864 341759755 /nfs/dbraw/zinc/75/97/55/341759755.db2.gz QVEMDMKTLVIHGT-UHFFFAOYSA-N -1 1 315.316 3.873 20 0 DHADMM CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)c1cncc([O-])c1 ZINC000339950915 519824252 /nfs/dbraw/zinc/82/42/52/519824252.db2.gz KRRCDCSPOOENHI-MRXNPFEDSA-N -1 1 318.804 3.910 20 0 DHADMM CCC(CC)c1nnc(NC(=O)c2ccc([O-])cc2F)s1 ZINC000181101030 521637086 /nfs/dbraw/zinc/63/70/86/521637086.db2.gz FYJHSCSUHCRZHR-UHFFFAOYSA-N -1 1 309.366 3.539 20 0 DHADMM COc1cccc([C@@H]2CCCN2C(=O)c2cc(F)ccc2[O-])c1 ZINC000093910189 524116884 /nfs/dbraw/zinc/11/68/84/524116884.db2.gz FFOQBEXPTQJYJN-INIZCTEOSA-N -1 1 315.344 3.517 20 0 DHADMM C[C@@H]1C[C@@H](C)CN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000338337450 525205087 /nfs/dbraw/zinc/20/50/87/525205087.db2.gz ISUIERSNHBHVTR-GHMZBOCLSA-N -1 1 318.804 3.712 20 0 DHADMM Cc1cc([C@H]2CCN(C(=O)c3cc(F)ccc3[O-])C2)cs1 ZINC000364909075 525550968 /nfs/dbraw/zinc/55/09/68/525550968.db2.gz RZQAMZMXMNUURW-NSHDSACASA-N -1 1 305.374 3.531 20 0 DHADMM C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1cncc([O-])c1 ZINC000267039495 526052968 /nfs/dbraw/zinc/05/29/68/526052968.db2.gz OSQUCZUKJKFFJE-RYUDHWBXSA-N -1 1 318.804 3.705 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCC(c2ccsc2)CC1 ZINC000188718337 526622750 /nfs/dbraw/zinc/62/27/50/526622750.db2.gz GESRJMILCTWEEC-UHFFFAOYSA-N -1 1 305.374 3.613 20 0 DHADMM O=C1CCc2cc(NCc3cccc([O-])c3Cl)c(F)cc2N1 ZINC000339359093 526997948 /nfs/dbraw/zinc/99/79/48/526997948.db2.gz QGXHBAMFTQSEDS-UHFFFAOYSA-N -1 1 320.751 3.682 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1noc2c1CCCCC2 ZINC000156584355 527235679 /nfs/dbraw/zinc/23/56/79/527235679.db2.gz QJSOPBZTYWJIIR-UHFFFAOYSA-N -1 1 306.749 3.555 20 0 DHADMM O=C(Nc1ccccc1N1CCCCC1)c1ccc([O-])cc1F ZINC000181833145 527426052 /nfs/dbraw/zinc/42/60/52/527426052.db2.gz AXHGIWQJQFIHEJ-UHFFFAOYSA-N -1 1 314.360 3.774 20 0 DHADMM CC(C)CCc1ccc(NCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC000820081546 607313915 /nfs/dbraw/zinc/31/39/15/607313915.db2.gz KYENAQANWSJGIC-UHFFFAOYSA-N -1 1 311.389 3.660 20 0 DHADMM CC(C)CCc1ccc(NCc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000820081546 607313916 /nfs/dbraw/zinc/31/39/16/607313916.db2.gz KYENAQANWSJGIC-UHFFFAOYSA-N -1 1 311.389 3.660 20 0 DHADMM CCc1ccc(CC)c(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000821481125 607319300 /nfs/dbraw/zinc/31/93/00/607319300.db2.gz HWZUDAGWSIMVLK-UHFFFAOYSA-N -1 1 313.430 3.665 20 0 DHADMM COc1ccccc1[C@H]1CCCN1Cc1cc(C(=O)[O-])oc1C ZINC000568060742 599773360 /nfs/dbraw/zinc/77/33/60/599773360.db2.gz NDKCOONEBQNKTN-OAHLLOKOSA-N -1 1 315.369 3.632 20 0 DHADMM COc1ccccc1[C@H]1CCCN1Cc1cc(C(=O)[O-])c(C)o1 ZINC000574093425 599774204 /nfs/dbraw/zinc/77/42/04/599774204.db2.gz YJWLMQIUGCOXQQ-MRXNPFEDSA-N -1 1 315.369 3.632 20 0 DHADMM CC(C)COc1ccccc1CNCc1ccc(C(=O)[O-])cc1 ZINC000076273328 599841483 /nfs/dbraw/zinc/84/14/83/599841483.db2.gz OGRUUTKPZYNOTI-UHFFFAOYSA-N -1 1 313.397 3.709 20 0 DHADMM C[C@H]1c2ccsc2CCN1Cc1ccc(F)cc1C(=O)[O-] ZINC000071264876 600081799 /nfs/dbraw/zinc/08/17/99/600081799.db2.gz BGSWOAQEMQPWOL-JTQLQIEISA-N -1 1 305.374 3.705 20 0 DHADMM Cc1nc(C)c([C@H](C)N(C)Cc2cc(C(=O)[O-])oc2C)s1 ZINC000563278182 600092727 /nfs/dbraw/zinc/09/27/27/600092727.db2.gz RITNBOFSFLGRQK-VIFPVBQESA-N -1 1 308.403 3.553 20 0 DHADMM Cc1oc(CNC(C)(C)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000738977316 600101398 /nfs/dbraw/zinc/10/13/98/600101398.db2.gz CJRMLVHXAIPGIZ-UHFFFAOYSA-N -1 1 307.777 3.965 20 0 DHADMM CC[C@@](NCc1ccc(F)cc1Cl)(C(=O)[O-])c1ccccc1 ZINC000736920651 600130694 /nfs/dbraw/zinc/13/06/94/600130694.db2.gz QYLGWHAXDVAXJP-KRWDZBQOSA-N -1 1 321.779 3.959 20 0 DHADMM Cc1cc(CN2CCCCC[C@H]2c2ccco2)oc1C(=O)[O-] ZINC000567479217 600261932 /nfs/dbraw/zinc/26/19/32/600261932.db2.gz RGTVNQHATIACHY-AWEZNQCLSA-N -1 1 303.358 3.997 20 0 DHADMM C[C@@H](c1ccc(F)c(Cl)c1)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000405369648 600296356 /nfs/dbraw/zinc/29/63/56/600296356.db2.gz XSVKLSFKMKUTJM-JQWIXIFHSA-N -1 1 311.784 3.727 20 0 DHADMM CCc1ccc([C@@H]2CCCN2Cc2cc(C(=O)[O-])c(C)o2)o1 ZINC000578635195 600410805 /nfs/dbraw/zinc/41/08/05/600410805.db2.gz ZUEDLNWWGCTHJL-HNNXBMFYSA-N -1 1 303.358 3.779 20 0 DHADMM CC[C@H](N[C@@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000736918826 600453137 /nfs/dbraw/zinc/45/31/37/600453137.db2.gz ALNONDPGAVOTDF-JKSUJKDBSA-N -1 1 305.324 3.831 20 0 DHADMM C[C@H]1SCCN(Cc2occc2C(=O)[O-])[C@H]1c1ccccc1 ZINC000566361631 600490029 /nfs/dbraw/zinc/49/00/29/600490029.db2.gz LQNWNFUJIZQERB-MLGOLLRUSA-N -1 1 317.410 3.656 20 0 DHADMM O=C([O-])c1ccc(CNCc2ccc(-c3ccccc3)s2)o1 ZINC000740133020 600524541 /nfs/dbraw/zinc/52/45/41/600524541.db2.gz RLKLKVSYTWVTLB-UHFFFAOYSA-N -1 1 313.378 3.996 20 0 DHADMM COc1ccc(Cl)cc1CN(C)Cc1ccccc1C(=O)[O-] ZINC000738014773 600557109 /nfs/dbraw/zinc/55/71/09/600557109.db2.gz ZTRBBXBUJGWQNZ-UHFFFAOYSA-N -1 1 319.788 3.679 20 0 DHADMM C/C(=C\CSc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)[O-] ZINC000825792849 600728429 /nfs/dbraw/zinc/72/84/29/600728429.db2.gz JKIGKZKEYPURTD-QPJJXVBHSA-N -1 1 316.304 3.705 20 0 DHADMM C[C@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1ccc(Cl)cc1 ZINC000827718286 600732416 /nfs/dbraw/zinc/73/24/16/600732416.db2.gz QEBVHUWDBCJFIB-ZUZCIYMTSA-N -1 1 307.752 3.956 20 0 DHADMM CCCC[C@@H](Sc1nc(C=Cc2ccccc2)n[nH]1)C(=O)[O-] ZINC000829296681 600836151 /nfs/dbraw/zinc/83/61/51/600836151.db2.gz XCOPHQRXGPHOOO-BSYHEUMXSA-N -1 1 317.414 3.711 20 0 DHADMM C/C(=C/CN1CCc2sccc2[C@@H]1c1cccs1)C(=O)[O-] ZINC000825746075 601048928 /nfs/dbraw/zinc/04/89/28/601048928.db2.gz DZFOSIIHWVBPFG-XVCALJJASA-N -1 1 319.451 3.788 20 0 DHADMM C/C(=C\CN1CCC[C@@H]1c1ccc(Br)cc1)C(=O)[O-] ZINC000825742446 601158105 /nfs/dbraw/zinc/15/81/05/601158105.db2.gz ZFGMHNFBACAWAF-BMGYJQCNSA-N -1 1 324.218 3.617 20 0 DHADMM Cc1cc([C@@H](C)N[C@H](C(=O)[O-])c2ccccc2F)ccc1F ZINC000832878507 601370458 /nfs/dbraw/zinc/37/04/58/601370458.db2.gz XUVUJYJZOIUKQJ-BZNIZROVSA-N -1 1 305.324 3.750 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN[C@H](c1ncccc1C)C(C)C ZINC000830375306 601419812 /nfs/dbraw/zinc/41/98/12/601419812.db2.gz MCQTUMHWATWQOM-INIZCTEOSA-N -1 1 316.401 3.731 20 0 DHADMM C[C@@H](c1ccco1)[N@@H+](Cc1ccc(F)cc1C(=O)[O-])C1CC1 ZINC000652401584 601492880 /nfs/dbraw/zinc/49/28/80/601492880.db2.gz PWMCPTRAWQGUFJ-NSHDSACASA-N -1 1 303.333 3.843 20 0 DHADMM C[C@@H](c1ccco1)N(Cc1ccc(F)cc1C(=O)[O-])C1CC1 ZINC000652401584 601492883 /nfs/dbraw/zinc/49/28/83/601492883.db2.gz PWMCPTRAWQGUFJ-NSHDSACASA-N -1 1 303.333 3.843 20 0 DHADMM C/C(=C\CN1CCC[C@@H]1c1ccccc1Br)C(=O)[O-] ZINC000825741258 601498458 /nfs/dbraw/zinc/49/84/58/601498458.db2.gz LDWFMPSIZLAKFU-BMGYJQCNSA-N -1 1 324.218 3.617 20 0 DHADMM C[C@H](c1ccc(F)c(F)c1)N(C)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000827935368 601616924 /nfs/dbraw/zinc/61/69/24/601616924.db2.gz PSCZOMYJCRWZAE-SNVBAGLBSA-N -1 1 323.314 3.995 20 0 DHADMM CC[C@@](C)(NCc1cc(C(=O)[O-])sc1C)c1nc(C)cs1 ZINC000828693186 601647610 /nfs/dbraw/zinc/64/76/10/601647610.db2.gz RXRSLYVEXATNFS-OAHLLOKOSA-N -1 1 324.471 3.935 20 0 DHADMM COc1ccc(C)cc1[C@@H](C)NCc1cc(C(=O)[O-])sc1C ZINC000833730539 605065257 /nfs/dbraw/zinc/06/52/57/605065257.db2.gz GARQQXRMKMBLAP-LLVKDONJSA-N -1 1 319.426 3.923 20 0 DHADMM CCOc1ccc([C@H](C)NCc2cc(C)c(C(=O)[O-])o2)cc1 ZINC000833663879 605066779 /nfs/dbraw/zinc/06/67/79/605066779.db2.gz NTVYADZXHDQSSN-LBPRGKRZSA-N -1 1 303.358 3.536 20 0 DHADMM CN(Cc1ccc(C(=O)[O-])[nH]1)Cc1csc2ccccc12 ZINC000833696532 605105797 /nfs/dbraw/zinc/10/57/97/605105797.db2.gz NAIBSRSJKCAERL-UHFFFAOYSA-N -1 1 300.383 3.560 20 0 DHADMM CC(C)(C(=O)[O-])[C@H](NCc1nc2ccccc2o1)c1ccccc1 ZINC000833414060 605182839 /nfs/dbraw/zinc/18/28/39/605182839.db2.gz KYSJLIIDZUWZFL-QGZVFWFLSA-N -1 1 324.380 3.770 20 0 DHADMM CCN(Cc1cccc(NCc2ccc3nc[nH]c3c2)c1)C(=O)[O-] ZINC000827169322 605245087 /nfs/dbraw/zinc/24/50/87/605245087.db2.gz AFLUMCAIODRWCF-UHFFFAOYSA-N -1 1 324.384 3.675 20 0 DHADMM O=C([O-])Nc1ccc(CN2CCC[C@H]2c2ccc(F)cc2)cn1 ZINC000834259943 605469838 /nfs/dbraw/zinc/46/98/38/605469838.db2.gz JRKPHNOBSZRSFM-HNNXBMFYSA-N -1 1 315.348 3.648 20 0 DHADMM CN(Cc1cc2ccccc2o1)Cc1ccc(NC(=O)[O-])nc1 ZINC000833874235 605611305 /nfs/dbraw/zinc/61/13/05/605611305.db2.gz FCLHVAMXKCTNML-UHFFFAOYSA-N -1 1 311.341 3.550 20 0 DHADMM C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc(F)cc1C(=O)[O-] ZINC000833606232 605703463 /nfs/dbraw/zinc/70/34/63/605703463.db2.gz OFEYPSKZIQPQEQ-ONGXEEELSA-N -1 1 319.298 3.687 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000833679364 605704158 /nfs/dbraw/zinc/70/41/58/605704158.db2.gz YFOVUVRAUJAEBH-KOLCDFICSA-N -1 1 319.323 3.703 20 0 DHADMM O=C([O-])N[C@@H]1C[C@H](N[C@@H]2CCOc3ccccc32)c2ccccc21 ZINC000834160823 605790580 /nfs/dbraw/zinc/79/05/80/605790580.db2.gz WYRRMHPDOLXRKC-IXDOHACOSA-N -1 1 324.380 3.554 20 0 DHADMM c1ccc([C@@H](Nc2cccc(-c3nnn[n-]3)n2)C2CCCC2)cc1 ZINC000826520640 607898574 /nfs/dbraw/zinc/89/85/74/607898574.db2.gz OTCQZQKOTCFFQC-QGZVFWFLSA-N -1 1 320.400 3.605 20 0 DHADMM c1ccc([C@@H](Nc2cccc(-c3nn[n-]n3)n2)C2CCCC2)cc1 ZINC000826520640 607898575 /nfs/dbraw/zinc/89/85/75/607898575.db2.gz OTCQZQKOTCFFQC-QGZVFWFLSA-N -1 1 320.400 3.605 20 0 DHADMM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2cncc([O-])c2)cc1 ZINC000339903191 1013047723 /nfs/dbraw/zinc/04/77/23/1013047723.db2.gz OOJLZXQCECUIAR-ROUUACIJSA-N -1 1 310.397 3.504 20 0 DHADMM C[C@@H](NCc1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)[O-] ZINC000113404720 949229200 /nfs/dbraw/zinc/22/92/00/949229200.db2.gz OSPJXNABACFNIQ-SECBINFHSA-N -1 1 313.275 3.528 20 0 DHADMM CC(C)(C)CN(Cc1ccc(-c2nnn[n-]2)o1)c1ccccc1 ZINC001573845795 950241266 /nfs/dbraw/zinc/24/12/66/950241266.db2.gz MMUWHVCHYUEKAE-UHFFFAOYSA-N -1 1 311.389 3.512 20 0 DHADMM CC(C)(C)CN(Cc1ccc(-c2nn[n-]n2)o1)c1ccccc1 ZINC001573845795 950241278 /nfs/dbraw/zinc/24/12/78/950241278.db2.gz MMUWHVCHYUEKAE-UHFFFAOYSA-N -1 1 311.389 3.512 20 0 DHADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1cc(Cl)ccc1Cl ZINC000263490250 950487637 /nfs/dbraw/zinc/48/76/37/950487637.db2.gz IHZWRICYJCKUAS-ZJUUUORDSA-N -1 1 302.201 3.679 20 0 DHADMM Cc1cc(F)c(S(=O)(=O)[N-]c2c(C)cccc2F)cc1F ZINC000180742505 1013140192 /nfs/dbraw/zinc/14/01/92/1013140192.db2.gz MQNJGENXIFUIEH-UHFFFAOYSA-N -1 1 315.316 3.522 20 0 DHADMM CC(C)Oc1ccccc1CNCc1ccc(C(=O)[O-])s1 ZINC000903677365 956858002 /nfs/dbraw/zinc/85/80/02/956858002.db2.gz PDSRSGAEOFHBOC-UHFFFAOYSA-N -1 1 305.399 3.523 20 0 DHADMM C[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1ccc(C(=O)[O-])s1 ZINC000903683509 956863907 /nfs/dbraw/zinc/86/39/07/956863907.db2.gz QSWGCBMGAPMCST-PSASIEDQSA-N -1 1 307.337 3.609 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2Cl)s1 ZINC000519026886 1013261109 /nfs/dbraw/zinc/26/11/09/1013261109.db2.gz XSNDOHROSKRXNW-UHFFFAOYSA-N -1 1 305.783 3.650 20 0 DHADMM CN(Cc1csc(-c2ccc(F)cc2)n1)C(C)(C)CC(=O)[O-] ZINC001334026183 961750147 /nfs/dbraw/zinc/75/01/47/961750147.db2.gz HTMOURQQEOUEQJ-UHFFFAOYSA-N -1 1 322.405 3.634 20 0 DHADMM C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263411603 962578361 /nfs/dbraw/zinc/57/83/61/962578361.db2.gz LOWIWAGNLIESMG-GWCFXTLKSA-N -1 1 301.308 3.548 20 0 DHADMM CC(C)[C@@H](NCc1cccc(C(=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000263427634 962601462 /nfs/dbraw/zinc/60/14/62/962601462.db2.gz RCHSKNNYVQEGHS-QGZVFWFLSA-N -1 1 323.396 3.748 20 0 DHADMM O=C([O-])c1cccc(CN[C@H]2CCCOc3c(F)cccc32)c1 ZINC000263443951 962626879 /nfs/dbraw/zinc/62/68/79/962626879.db2.gz XHVFCHWUGCGXGE-INIZCTEOSA-N -1 1 315.344 3.527 20 0 DHADMM C[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000652366589 1013380488 /nfs/dbraw/zinc/38/04/88/1013380488.db2.gz BZKGGAWNOGWHIV-NOZJJQNGSA-N -1 1 302.201 3.851 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000340329069 1013498142 /nfs/dbraw/zinc/49/81/42/1013498142.db2.gz JDVXDCOBOCQERV-NXEZZACHSA-N -1 1 307.271 3.552 20 0 DHADMM C[C@H]1CCN(Cc2ccc(Cl)cc2Cl)[C@H](C(=O)[O-])C1 ZINC000129314520 1013550257 /nfs/dbraw/zinc/55/02/57/1013550257.db2.gz AMKOSLROHVHQBD-ZANVPECISA-N -1 1 302.201 3.679 20 0 DHADMM COCCC1(c2noc(-c3cc(SC)ccc3[O-])n2)CCC1 ZINC000664908341 1013569278 /nfs/dbraw/zinc/56/92/78/1013569278.db2.gz YDCHZLNOPZKNCF-UHFFFAOYSA-N -1 1 320.414 3.622 20 0 DHADMM COc1ccc(OC)c(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000188275719 1013665241 /nfs/dbraw/zinc/66/52/41/1013665241.db2.gz UIIQXGHEUGMVTM-UHFFFAOYSA-N -1 1 323.348 3.815 20 0 DHADMM CCc1ccccc1[N-]S(=O)(=O)c1ccccc1SC ZINC000188276325 1013667306 /nfs/dbraw/zinc/66/73/06/1013667306.db2.gz KRHNLAZKHGLORZ-UHFFFAOYSA-N -1 1 307.440 3.772 20 0 DHADMM O=C(NCCSc1ccccc1)c1c([O-])cccc1Cl ZINC000049086455 1013760699 /nfs/dbraw/zinc/76/06/99/1013760699.db2.gz JGZKLUIVIBRULG-UHFFFAOYSA-N -1 1 307.802 3.568 20 0 DHADMM COc1cc(C(=O)NC2C[C@@H](C)C[C@H](C)C2)cc(Cl)c1[O-] ZINC000334091249 1013886527 /nfs/dbraw/zinc/88/65/27/1013886527.db2.gz GWMNOLROHHFWDP-UWVGGRQHSA-N -1 1 311.809 3.609 20 0 DHADMM Cc1c(Cl)cc(Nc2c[nH]c(=O)c(F)c2)c([O-])c1Cl ZINC001210606415 1013972526 /nfs/dbraw/zinc/97/25/26/1013972526.db2.gz FWLCCUHWTILIAL-UHFFFAOYSA-N -1 1 303.120 3.991 20 0 DHADMM C[C@H](c1ccc(F)c(F)c1)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000320901265 970728176 /nfs/dbraw/zinc/72/81/76/970728176.db2.gz FYTWLOQOLRPLGS-IAQYHMDHSA-N -1 1 317.335 3.710 20 0 DHADMM CC[C@@H]1CCC[C@H](C[N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)C1 ZINC000394528979 972718271 /nfs/dbraw/zinc/71/82/71/972718271.db2.gz VZRZSULVNGQRQW-VKJFTORMSA-N -1 1 301.430 3.887 20 0 DHADMM COC(=O)c1cc(Nc2cc(Cl)c([O-])c(Cl)c2)cn1C ZINC001210927785 1014090902 /nfs/dbraw/zinc/09/09/02/1014090902.db2.gz ZBTPLVNHLKKLGB-UHFFFAOYSA-N -1 1 315.156 3.568 20 0 DHADMM CN(Cc1occc1C(=O)[O-])Cc1cccc(C(F)(F)F)c1 ZINC000565102349 974569282 /nfs/dbraw/zinc/56/92/82/974569282.db2.gz FCHXJXDGBAKNRW-UHFFFAOYSA-N -1 1 313.275 3.629 20 0 DHADMM O=C([O-])c1ccc(CN(Cc2ccc(Cl)cc2)C2CC2)o1 ZINC000573452394 974765491 /nfs/dbraw/zinc/76/54/91/974765491.db2.gz NPYULQJFVCMCCX-UHFFFAOYSA-N -1 1 305.761 3.796 20 0 DHADMM C[C@@H]1CCSCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000190027842 1014229828 /nfs/dbraw/zinc/22/98/28/1014229828.db2.gz DMSDXMNNDHUOFG-GFCCVEGCSA-N -1 1 301.411 3.513 20 0 DHADMM CC12CC(C1)CN2[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000663315677 975943008 /nfs/dbraw/zinc/94/30/08/975943008.db2.gz LZFTTYFAYHSMLF-YEMQSEFVSA-N -1 1 300.185 3.603 20 0 DHADMM O=C([O-])c1cccc(CNCc2cccc(Cl)c2Cl)c1 ZINC000683170646 976078061 /nfs/dbraw/zinc/07/80/61/976078061.db2.gz WSLSGOFBEDBZGU-UHFFFAOYSA-N -1 1 310.180 3.981 20 0 DHADMM O=C([O-])[C@H](NC/C=C/c1ccc(F)cc1)c1cc(F)ccc1F ZINC000683174691 976079869 /nfs/dbraw/zinc/07/98/69/976079869.db2.gz WPNJJVGXYFRSSF-XGBNDESESA-N -1 1 321.298 3.533 20 0 DHADMM O=C([O-])[C@H](NC/C=C\c1ccc(F)cc1)c1cc(F)ccc1F ZINC000683174690 976080323 /nfs/dbraw/zinc/08/03/23/976080323.db2.gz WPNJJVGXYFRSSF-STOZHHMFSA-N -1 1 321.298 3.533 20 0 DHADMM Cc1oc(C[N@@H+](C)C[C@H]2CCC3(CCCCC3)O2)cc1C(=O)[O-] ZINC000580720059 1014308866 /nfs/dbraw/zinc/30/88/66/1014308866.db2.gz FLEMWEYSKDJGEA-CQSZACIVSA-N -1 1 321.417 3.600 20 0 DHADMM Cc1oc(CN(C)C[C@H]2CCC3(CCCCC3)O2)cc1C(=O)[O-] ZINC000580720059 1014308879 /nfs/dbraw/zinc/30/88/79/1014308879.db2.gz FLEMWEYSKDJGEA-CQSZACIVSA-N -1 1 321.417 3.600 20 0 DHADMM C[C@H](CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)CC(C)(C)C ZINC001592278227 977561915 /nfs/dbraw/zinc/56/19/15/977561915.db2.gz QSOXNUGGUAKULO-SNVBAGLBSA-N -1 1 317.389 3.662 20 0 DHADMM CC(C)c1nnc([N-]C(=O)c2coc(-c3ccccc3)n2)s1 ZINC000151490237 1014593337 /nfs/dbraw/zinc/59/33/37/1014593337.db2.gz ZCKUQTXQJYQPIC-UHFFFAOYSA-N -1 1 314.370 3.569 20 0 DHADMM CC[C@@H](N[C@@H](C(=O)[O-])c1ccsc1)c1cc(F)ccc1OC ZINC001595277678 980308089 /nfs/dbraw/zinc/30/80/89/980308089.db2.gz XTZPFAGYLIZCKQ-UKRRQHHQSA-N -1 1 323.389 3.762 20 0 DHADMM CCSc1cccc(CNCc2cc(C)c(C(=O)[O-])o2)c1 ZINC000901940347 980641250 /nfs/dbraw/zinc/64/12/50/980641250.db2.gz BEYQGOVVBSETOM-UHFFFAOYSA-N -1 1 305.399 3.688 20 0 DHADMM C[C@H]1CCN(Cc2ccc(-c3ccc(F)cc3)o2)[C@@H](C(=O)[O-])C1 ZINC000902018922 980695068 /nfs/dbraw/zinc/69/50/68/980695068.db2.gz VUBWMVSMYJWEFN-BLLLJJGKSA-N -1 1 317.360 3.771 20 0 DHADMM C[C@H]1CCN(Cc2cc(F)cc(C(F)(F)F)c2)[C@H](C(=O)[O-])C1 ZINC000902018986 980695118 /nfs/dbraw/zinc/69/51/18/980695118.db2.gz VYTYVEUPPKJBFW-ZANVPECISA-N -1 1 319.298 3.530 20 0 DHADMM O=C([O-])CN(Cc1ccc(Oc2ccccc2)o1)C1CCCC1 ZINC000902039419 980709995 /nfs/dbraw/zinc/70/99/95/980709995.db2.gz FCQAGRQXMCQRKW-UHFFFAOYSA-N -1 1 315.369 3.901 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CN[C@H](C)c1ccc(OC(C)C)cc1 ZINC000902175520 980769159 /nfs/dbraw/zinc/76/91/59/980769159.db2.gz HAYZNJKONVXQPX-GFCCVEGCSA-N -1 1 317.385 3.924 20 0 DHADMM O=C([O-])c1occc1CNC1(c2cccc(Cl)c2)CCC1 ZINC000902373605 980860398 /nfs/dbraw/zinc/86/03/98/980860398.db2.gz SGDSMDMZLYFDAE-UHFFFAOYSA-N -1 1 305.761 3.800 20 0 DHADMM CSc1ccc([C@@H](C)NCc2cc(C)c(C(=O)[O-])o2)cc1 ZINC000902379483 980862868 /nfs/dbraw/zinc/86/28/68/980862868.db2.gz FIFRMLXSOFOAJY-LLVKDONJSA-N -1 1 305.399 3.859 20 0 DHADMM O=C([O-])/C=C\c1ccc(CN[C@H]2CCCc3ccc(F)cc32)o1 ZINC000902397177 980869399 /nfs/dbraw/zinc/86/93/99/980869399.db2.gz MRUKUCDYRDQGJI-JJEJIETFSA-N -1 1 315.344 3.684 20 0 DHADMM O=C([O-])c1cc(CNCc2ccc(C(F)(F)F)s2)cs1 ZINC000902503082 980912258 /nfs/dbraw/zinc/91/22/58/980912258.db2.gz TVMCAASXDCJEIX-UHFFFAOYSA-N -1 1 321.345 3.816 20 0 DHADMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)cc1 ZINC000442822041 1014740313 /nfs/dbraw/zinc/74/03/13/1014740313.db2.gz CPWLCFVHEBOIQX-UHFFFAOYSA-N -1 1 317.366 3.632 20 0 DHADMM COc1ccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)c(C)c1 ZINC000442812361 1014740725 /nfs/dbraw/zinc/74/07/25/1014740725.db2.gz FBBVBFJTMUHHRN-UHFFFAOYSA-N -1 1 317.366 3.551 20 0 DHADMM O=C([O-])c1cc(CN(Cc2ccc(F)cc2)C2CC2)cs1 ZINC000521634367 1014751912 /nfs/dbraw/zinc/75/19/12/1014751912.db2.gz RYKHONCDGDPTGZ-UHFFFAOYSA-N -1 1 305.374 3.750 20 0 DHADMM COc1cc(C(=O)NC[C@@H]2CCCC[C@H]2C)cc(Cl)c1[O-] ZINC000442952796 1014775428 /nfs/dbraw/zinc/77/54/28/1014775428.db2.gz UHTPJJZTNMDJJM-MNOVXSKESA-N -1 1 311.809 3.610 20 0 DHADMM COc1cc(C(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)cc(Cl)c1[O-] ZINC000443108486 1014814032 /nfs/dbraw/zinc/81/40/32/1014814032.db2.gz MXGIFJRRBVLMOF-CKYFFXLPSA-N -1 1 311.809 3.609 20 0 DHADMM CCCCCCN(Cc1ccc(C(=O)[O-])[nH]1)Cc1ccco1 ZINC001595709030 982290421 /nfs/dbraw/zinc/29/04/21/982290421.db2.gz RDHOISHSAOSHOW-UHFFFAOYSA-N -1 1 304.390 3.888 20 0 DHADMM O=c1cc(C(F)F)nc(SC2CC(Oc3ccccc3)C2)[n-]1 ZINC000629184157 1014851260 /nfs/dbraw/zinc/85/12/60/1014851260.db2.gz YRVBSBKDPIQNRN-UHFFFAOYSA-N -1 1 324.352 3.822 20 0 DHADMM Cc1nc(CSc2nc(C)c(C3CC3)c(=O)[n-]2)sc1C ZINC000631022872 1014906837 /nfs/dbraw/zinc/90/68/37/1014906837.db2.gz BTLSWUOCRUHGTN-UHFFFAOYSA-N -1 1 307.444 3.734 20 0 DHADMM CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(C(=O)[O-])cc1F ZINC001596362738 983841196 /nfs/dbraw/zinc/84/11/96/983841196.db2.gz LPVMUZQIGCHZPM-UHFFFAOYSA-N -1 1 317.360 3.555 20 0 DHADMM CCN(Cc1ccc(OC)cc1)Cc1ccc(C(=O)[O-])cc1F ZINC001596362738 983841205 /nfs/dbraw/zinc/84/12/05/983841205.db2.gz LPVMUZQIGCHZPM-UHFFFAOYSA-N -1 1 317.360 3.555 20 0 DHADMM C[C@H](c1ccco1)N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000093939833 1014988397 /nfs/dbraw/zinc/98/83/97/1014988397.db2.gz BSMSDMWSSSBAGQ-SECBINFHSA-N -1 1 324.174 3.581 20 0 DHADMM C[C@H](NCc1ccc(C(=O)[O-])c(F)c1)c1ccc(F)c(F)c1 ZINC001599901631 984843167 /nfs/dbraw/zinc/84/31/67/984843167.db2.gz SELHAMIAIGCYDB-VIFPVBQESA-N -1 1 309.287 3.653 20 0 DHADMM CC1(C)CO[C@H](c2cccc(F)c2)CN1CCCCCC(=O)[O-] ZINC000656766542 1015138744 /nfs/dbraw/zinc/13/87/44/1015138744.db2.gz XLILYANGAZKSQS-INIZCTEOSA-N -1 1 323.408 3.623 20 0 DHADMM CCSCc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000157871799 1015178245 /nfs/dbraw/zinc/17/82/45/1015178245.db2.gz SBNHPUBNPHYGSD-UHFFFAOYSA-N -1 1 307.440 3.741 20 0 DHADMM C[C@@H]1CN(Cc2c(Cl)cccc2C(=O)[O-])CCC1(F)F ZINC001594536501 986153425 /nfs/dbraw/zinc/15/34/25/986153425.db2.gz REDWLDXLRXYDCQ-SECBINFHSA-N -1 1 303.736 3.515 20 0 DHADMM C[C@@H](N(C)C(=O)c1ccc2ccc(O)cc2c1[O-])C(C)(C)C ZINC000895633140 1015236278 /nfs/dbraw/zinc/23/62/78/1015236278.db2.gz CAKWOWOHDSFWDJ-LLVKDONJSA-N -1 1 301.386 3.758 20 0 DHADMM C[C@H](C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)[C@H](C)C(C)(C)C ZINC001589448447 986823065 /nfs/dbraw/zinc/82/30/65/986823065.db2.gz KPUMZTUTNHCYEL-UWVGGRQHSA-N -1 1 317.389 3.518 20 0 DHADMM C[C@@H](C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)[C@H](C)C(C)(C)C ZINC001589448449 986824184 /nfs/dbraw/zinc/82/41/84/986824184.db2.gz KPUMZTUTNHCYEL-ZJUUUORDSA-N -1 1 317.389 3.518 20 0 DHADMM C[C@@H]1c2ccc(F)cc2CCN1Cc1cc(C(=O)[O-])cs1 ZINC001594667974 986974020 /nfs/dbraw/zinc/97/40/20/986974020.db2.gz PLTZNCSCMDVIEN-SNVBAGLBSA-N -1 1 305.374 3.705 20 0 DHADMM O=C(Cc1coc2ccccc12)Nc1cc([O-])c(F)cc1F ZINC001141833943 1015266592 /nfs/dbraw/zinc/26/65/92/1015266592.db2.gz PRGYTJNCQNDXNA-UHFFFAOYSA-N -1 1 303.264 3.598 20 0 DHADMM C[C@@H]1c2sccc2CCN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC001594674542 986997462 /nfs/dbraw/zinc/99/74/62/986997462.db2.gz RWSYOSFYBVYMGQ-SNVBAGLBSA-N -1 1 305.374 3.705 20 0 DHADMM CCc1[nH]c(CN2CCC[C@H]2c2ccc(F)cc2)cc1C(=O)[O-] ZINC001597386220 987602713 /nfs/dbraw/zinc/60/27/13/987602713.db2.gz FYPNPSQTYQBNDP-KRWDZBQOSA-N -1 1 316.376 3.752 20 0 DHADMM CSCC[C@H](C)[N@@H+](C)Cc1c(Cl)cccc1C(=O)[O-] ZINC001599795668 988093262 /nfs/dbraw/zinc/09/32/62/988093262.db2.gz SNTMXIQMVIXNFU-JTQLQIEISA-N -1 1 301.839 3.612 20 0 DHADMM CCc1ccc(C)nc1NCc1cc(C(=O)[O-])c(C(C)C)[nH]1 ZINC001597514790 988123626 /nfs/dbraw/zinc/12/36/26/988123626.db2.gz SVOFKXGRZGYJNL-UHFFFAOYSA-N -1 1 301.390 3.714 20 0 DHADMM CSc1cc(C)ccc1CN[C@H](C)c1cc(C(=O)[O-])co1 ZINC001599808580 988296577 /nfs/dbraw/zinc/29/65/77/988296577.db2.gz MCUKQLHRVGCUHQ-LLVKDONJSA-N -1 1 305.399 3.859 20 0 DHADMM CSc1ccccc1CN(C)Cc1cc(C(=O)[O-])cs1 ZINC001599824293 988570817 /nfs/dbraw/zinc/57/08/17/988570817.db2.gz VYNMYZUHCQMPKC-UHFFFAOYSA-N -1 1 307.440 3.800 20 0 DHADMM CSc1ccccc1[C@@H](C)NCc1ccc(/C=C\C(=O)[O-])o1 ZINC001599826599 988607357 /nfs/dbraw/zinc/60/73/57/988607357.db2.gz VLXRDAZLVIRMCL-ZWLSGLHFSA-N -1 1 317.410 3.950 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN(C)Cc1ccc2cc[nH]c2c1 ZINC001597761415 989188118 /nfs/dbraw/zinc/18/81/18/989188118.db2.gz CYJFXECOFYVLEA-UHFFFAOYSA-N -1 1 312.369 3.654 20 0 DHADMM CCc1oc(CN2CCC[C@H](CC(F)(F)F)C2)cc1C(=O)[O-] ZINC001597798369 989366764 /nfs/dbraw/zinc/36/67/64/989366764.db2.gz BURGRQGVNMNHKU-SNVBAGLBSA-N -1 1 319.323 3.705 20 0 DHADMM CC(C)[C@H](NCc1cncc(C(=O)[O-])c1)c1ccccc1Cl ZINC001591030825 991336692 /nfs/dbraw/zinc/33/66/92/991336692.db2.gz RTEVNWCRPZHRMA-INIZCTEOSA-N -1 1 318.804 3.920 20 0 DHADMM CN(Cc1csc(C2CCCCC2)n1)C(C)(C)CC(=O)[O-] ZINC001598535927 992839637 /nfs/dbraw/zinc/83/96/37/992839637.db2.gz GMCPLYQDQUBHGT-UHFFFAOYSA-N -1 1 310.463 3.876 20 0 DHADMM CC(C)N(Cc1nc(C(=O)[O-])cs1)[C@H](C)c1ccccc1 ZINC001591603979 992840539 /nfs/dbraw/zinc/84/05/39/992840539.db2.gz GJRLXLJSSCVSCX-GFCCVEGCSA-N -1 1 304.415 3.813 20 0 DHADMM [O-]c1ccc(Cc2nc([C@@H]3CC3(Cl)Cl)no2)cc1Cl ZINC000896815864 1015757364 /nfs/dbraw/zinc/75/73/64/1015757364.db2.gz LAMLZZGAECMWDS-ZETCQYMHSA-N -1 1 319.575 3.681 20 0 DHADMM CCn1nc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1C1CC1 ZINC000276949121 1015768401 /nfs/dbraw/zinc/76/84/01/1015768401.db2.gz ODTSMGYAESIQHP-UHFFFAOYSA-N -1 1 320.780 3.783 20 0 DHADMM O=C(c1ncccc1[O-])N1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000153967216 1015782772 /nfs/dbraw/zinc/78/27/72/1015782772.db2.gz WVGPMPQKPUUUEZ-UJGDBWEASA-N -1 1 322.408 3.885 20 0 DHADMM C[C@@H](NC1(c2cccc(F)c2)CCC1)c1cc(C(=O)[O-])co1 ZINC001593209438 994237989 /nfs/dbraw/zinc/23/79/89/994237989.db2.gz JPSLVNZNQHKLDA-LLVKDONJSA-N -1 1 303.333 3.847 20 0 DHADMM C[C@](NCc1cc(Cl)ccc1F)(C(=O)[O-])c1ccccc1 ZINC001593292036 994673594 /nfs/dbraw/zinc/67/35/94/994673594.db2.gz GMSYIKHNAWIQQY-MRXNPFEDSA-N -1 1 307.752 3.569 20 0 DHADMM Cc1onc(-c2cccc(Cl)c2)c1C(=O)[N-]c1cnoc1 ZINC000684629726 1015977632 /nfs/dbraw/zinc/97/76/32/1015977632.db2.gz DNJJWTJBRZDTLA-UHFFFAOYSA-N -1 1 303.705 3.544 20 0 DHADMM CC1(C)CN(Cc2csc(C(=O)[O-])c2)Cc2ccccc2O1 ZINC001593945044 996985224 /nfs/dbraw/zinc/98/52/24/996985224.db2.gz NHXQLMLKKDFLJN-UHFFFAOYSA-N -1 1 317.410 3.620 20 0 DHADMM COc1cc(Cl)ccc1CNCc1ccc(C(=O)[O-])c(C)c1 ZINC001599421471 997602364 /nfs/dbraw/zinc/60/23/64/997602364.db2.gz SUFFDEKMSSXSFU-UHFFFAOYSA-N -1 1 319.788 3.645 20 0 DHADMM CCc1nc(SC[C@@H](OC)C2CCCCC2)[n-]c(=O)c1C ZINC000657264084 1016138102 /nfs/dbraw/zinc/13/81/02/1016138102.db2.gz DDQDJVNVHWSFTK-CQSZACIVSA-N -1 1 310.463 3.740 20 0 DHADMM C[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC001594173098 998664932 /nfs/dbraw/zinc/66/49/32/998664932.db2.gz KSWQJOBDOGGCNT-BXKDBHETSA-N -1 1 319.298 3.687 20 0 DHADMM C[C@@H]1[C@@H](C(F)(F)F)CCCN1Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001594175309 998671878 /nfs/dbraw/zinc/67/18/78/998671878.db2.gz WIMGCIJYGFNONR-KMZNDYGISA-N -1 1 317.307 3.540 20 0 DHADMM C[C@@H]1[C@@H](C(F)(F)F)CCCN1Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001594175308 998671894 /nfs/dbraw/zinc/67/18/94/998671894.db2.gz WIMGCIJYGFNONR-BGLVSGNDSA-N -1 1 317.307 3.540 20 0 DHADMM C[C@H]1C[C@H]1c1ccc(CNCc2ccc(C(=O)[O-])c(F)c2)o1 ZINC001594280160 999087147 /nfs/dbraw/zinc/08/71/47/999087147.db2.gz RYJPGWYHFYCISU-IINYFYTJSA-N -1 1 303.333 3.530 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c(C)c1 ZINC000071977308 1016319097 /nfs/dbraw/zinc/31/90/97/1016319097.db2.gz SJCCWKQWYFWYLG-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM COc1ccc(F)cc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000622477346 1016421210 /nfs/dbraw/zinc/42/12/10/1016421210.db2.gz XFZZDPXPEPIFMG-UHFFFAOYSA-N -1 1 303.333 3.916 20 0 DHADMM CC(C)Cn1ccc2cc(NC(=O)c3cncc([O-])c3)ccc21 ZINC000346569325 1016447472 /nfs/dbraw/zinc/44/74/72/1016447472.db2.gz SOYZDOQPVRYBFT-UHFFFAOYSA-N -1 1 309.369 3.650 20 0 DHADMM O=C(Nc1cccc2c1CCO2)c1cc2ccccc2cc1[O-] ZINC000622572500 1016474379 /nfs/dbraw/zinc/47/43/79/1016474379.db2.gz KQDNDZNYIQWHBJ-UHFFFAOYSA-N -1 1 305.333 3.733 20 0 DHADMM COc1cc(NC(=O)c2ccccc2[O-])ccc1C(F)(F)F ZINC000622606256 1016480431 /nfs/dbraw/zinc/48/04/31/1016480431.db2.gz WJLKCBSRRIFRQI-UHFFFAOYSA-N -1 1 311.259 3.672 20 0 DHADMM C[C@H]1CC/C(=C\C(=O)Nc2cccc([O-])c2Br)C1 ZINC000908709287 1036488485 /nfs/dbraw/zinc/48/84/85/1036488485.db2.gz MXPZYFBWBZMWDQ-WKMLFNHBSA-N -1 1 310.191 3.840 20 0 DHADMM O=C(Nc1ccc(F)c(F)c1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684869610 1016742993 /nfs/dbraw/zinc/74/29/93/1016742993.db2.gz VURPAVODDQPECT-UHFFFAOYSA-N -1 1 317.213 3.942 20 0 DHADMM C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684870159 1016745779 /nfs/dbraw/zinc/74/57/79/1016745779.db2.gz PQKQIJVDBKVBGW-SKDRFNHKSA-N -1 1 301.308 3.720 20 0 DHADMM Cc1ccc(CN(C)C(=O)c2ccc(C(F)(F)F)c([O-])c2)o1 ZINC000684870282 1016746357 /nfs/dbraw/zinc/74/63/57/1016746357.db2.gz XOUPAGRFSVHRRN-UHFFFAOYSA-N -1 1 313.275 3.585 20 0 DHADMM CC(C)CN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)C(C)C ZINC000684872481 1016755931 /nfs/dbraw/zinc/75/59/31/1016755931.db2.gz LOFHAKKWCHEQPL-UHFFFAOYSA-N -1 1 303.324 3.918 20 0 DHADMM CC(C)C[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000684875701 1016764637 /nfs/dbraw/zinc/76/46/37/1016764637.db2.gz JRXLFMIVNHUOFS-LLVKDONJSA-N -1 1 315.335 3.919 20 0 DHADMM COc1cc(Cl)ccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000082193119 1016771442 /nfs/dbraw/zinc/77/14/42/1016771442.db2.gz XJCZOYGJOISKRQ-UHFFFAOYSA-N -1 1 312.152 3.960 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cccc(OC(F)F)c1 ZINC000082192760 1016773165 /nfs/dbraw/zinc/77/31/65/1016773165.db2.gz JLOXUIZPJSQVMY-UHFFFAOYSA-N -1 1 313.687 3.899 20 0 DHADMM O=C([O-])c1coc(CN2CCC[C@@H](c3ccc(F)c(F)c3)C2)c1 ZINC000625971479 1016813620 /nfs/dbraw/zinc/81/36/20/1016813620.db2.gz ZRWPRIACABOVSJ-GFCCVEGCSA-N -1 1 321.323 3.636 20 0 DHADMM COc1c(Nc2cc3ccc([O-])cc3oc2=O)ccc(F)c1F ZINC001211893147 1016946093 /nfs/dbraw/zinc/94/60/93/1016946093.db2.gz WHVGCBSBCODABP-UHFFFAOYSA-N -1 1 319.263 3.529 20 0 DHADMM CC(C)(CC(=O)Nc1n[n-]c(C(F)(F)F)n1)C1CCCCC1 ZINC000475117478 1016982051 /nfs/dbraw/zinc/98/20/51/1016982051.db2.gz HROUNUSDHNTFAX-UHFFFAOYSA-N -1 1 318.343 3.759 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cnc([C@H]2CCCO2)s1 ZINC000089759210 1032359442 /nfs/dbraw/zinc/35/94/42/1032359442.db2.gz QSBVBPPWQDWQKN-LLVKDONJSA-N -1 1 324.789 3.606 20 0 DHADMM O=C(Nc1ccc(F)c(O)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC001148800866 1032446069 /nfs/dbraw/zinc/44/60/69/1032446069.db2.gz KJVFMVSUXSCJFZ-UHFFFAOYSA-N -1 1 315.222 3.508 20 0 DHADMM CCc1nccc(C)c1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001148794884 1032446449 /nfs/dbraw/zinc/44/64/49/1032446449.db2.gz OGKWSBHKQVIGGN-UHFFFAOYSA-N -1 1 324.302 3.929 20 0 DHADMM O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccc(F)cc1[O-] ZINC000089882003 1011907702 /nfs/dbraw/zinc/90/77/02/1011907702.db2.gz YIJDLNAMZLSACB-UHFFFAOYSA-N -1 1 321.258 3.598 20 0 DHADMM C[C@H]1CCCN(Cc2ccc(F)c(Cl)c2Cl)[C@H]1C(=O)[O-] ZINC000424418469 1012015867 /nfs/dbraw/zinc/01/58/67/1012015867.db2.gz NNODYYDQNJZQLS-ISVAXAHUSA-N -1 1 320.191 3.818 20 0 DHADMM Cc1ccc(-c2ccc(CN3CCC[C@@H](C)[C@H]3C(=O)[O-])o2)cc1 ZINC000424423663 1012016666 /nfs/dbraw/zinc/01/66/66/1012016666.db2.gz VGSNZFZLCRBMLU-KDOFPFPSSA-N -1 1 313.397 3.940 20 0 DHADMM C[C@H]1CCCN(Cc2ccc(-c3ccc(F)cc3)o2)[C@H]1C(=O)[O-] ZINC000424411141 1012019479 /nfs/dbraw/zinc/01/94/79/1012019479.db2.gz AKCUUUUPSIWOLA-YVEFUNNKSA-N -1 1 317.360 3.771 20 0 DHADMM CC1(C)C[C@@H](c2ccccc2)N(C(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000425118588 1012295886 /nfs/dbraw/zinc/29/58/86/1012295886.db2.gz LSLVEHRCYGPKBE-KRWDZBQOSA-N -1 1 323.392 3.575 20 0 DHADMM CC(C)COc1cccc(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000514759398 1012429026 /nfs/dbraw/zinc/42/90/26/1012429026.db2.gz ZEDZPPHDJLZKFT-UHFFFAOYSA-N -1 1 321.323 3.958 20 0 DHADMM O=C(NNc1cccc(Cl)c1)c1cc2ccccc2cc1[O-] ZINC000037143161 1032643294 /nfs/dbraw/zinc/64/32/94/1032643294.db2.gz IKLBUIVQXXZOSE-UHFFFAOYSA-N -1 1 312.756 3.956 20 0 DHADMM COc1cccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)c1 ZINC000685002601 1017222345 /nfs/dbraw/zinc/22/23/45/1017222345.db2.gz BYIAOBYZUIFNAF-UHFFFAOYSA-N -1 1 321.373 3.513 20 0 DHADMM CC(C)c1nsc([N-]C(=O)c2sccc2OC(F)F)n1 ZINC000874696331 1032708117 /nfs/dbraw/zinc/70/81/17/1032708117.db2.gz DWGIKGXTBNFPFK-UHFFFAOYSA-N -1 1 319.358 3.577 20 0 DHADMM O=C([N-]c1cnoc1)c1ccc(-c2nc3ccccc3s2)o1 ZINC000624010889 1017633881 /nfs/dbraw/zinc/63/38/81/1017633881.db2.gz ASBRXYCEONAKBV-UHFFFAOYSA-N -1 1 311.322 3.797 20 0 DHADMM CC1(C)CCC(C)(C)N(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000625723679 1017797846 /nfs/dbraw/zinc/79/78/46/1017797846.db2.gz TVDQRJWQCJADAF-UHFFFAOYSA-N -1 1 305.447 3.798 20 0 DHADMM [O-]c1ccc(-c2noc([C@@H]3Cc4ccccc4O3)n2)c(Cl)c1 ZINC000445446948 1017854825 /nfs/dbraw/zinc/85/48/25/1017854825.db2.gz GHOCIXQVEYJKBG-AWEZNQCLSA-N -1 1 314.728 3.772 20 0 DHADMM Cc1cccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)c1 ZINC000033712923 1017856905 /nfs/dbraw/zinc/85/69/05/1017856905.db2.gz AYVVPFAQZFYECH-UHFFFAOYSA-N -1 1 301.411 3.675 20 0 DHADMM [O-]c1ccc(-c2noc(C(F)(F)c3ccccc3)n2)cc1F ZINC000445477654 1017871348 /nfs/dbraw/zinc/87/13/48/1017871348.db2.gz OJZMNBSGPXSPCO-UHFFFAOYSA-N -1 1 306.243 3.721 20 0 DHADMM [O-]c1ccc(-c2noc(CCc3c[nH]c4ccccc34)n2)cc1F ZINC000445483014 1017878953 /nfs/dbraw/zinc/87/89/53/1017878953.db2.gz UOIHBHMAWRAXCN-UHFFFAOYSA-N -1 1 323.327 3.848 20 0 DHADMM [O-]c1ccc(-c2noc(C3(c4ccccc4F)CC3)n2)cc1F ZINC000445476761 1017881124 /nfs/dbraw/zinc/88/11/24/1017881124.db2.gz HTHJYQHNRKMASQ-UHFFFAOYSA-N -1 1 314.291 3.800 20 0 DHADMM O=C(c1ncccc1[O-])N1CCC[C@H]1c1cccc2ccccc21 ZINC000153656444 1017932906 /nfs/dbraw/zinc/93/29/06/1017932906.db2.gz GMLMPBJUIQIEDS-KRWDZBQOSA-N -1 1 318.376 3.918 20 0 DHADMM CN(C(=O)c1ncccc1[O-])C1c2ccccc2-c2ccccc21 ZINC000153943499 1018080752 /nfs/dbraw/zinc/08/07/52/1018080752.db2.gz UTCAZHBXAXMUJU-UHFFFAOYSA-N -1 1 316.360 3.629 20 0 DHADMM CC(C)c1cc(-c2nc(-c3ccc([O-])cc3Cl)no2)nn1C ZINC000278148964 1018213489 /nfs/dbraw/zinc/21/34/89/1018213489.db2.gz LYLHWKCZXBRTIY-UHFFFAOYSA-N -1 1 318.764 3.620 20 0 DHADMM CCOCCC1(c2nc(-c3ccc([O-])c(F)c3)no2)CCCC1 ZINC000278161651 1018243194 /nfs/dbraw/zinc/24/31/94/1018243194.db2.gz MWTGCZAWMGNMIX-UHFFFAOYSA-N -1 1 320.364 3.820 20 0 DHADMM COCCC1(c2nc(-c3ccc([O-])cc3Cl)no2)CCCC1 ZINC000278165934 1018249526 /nfs/dbraw/zinc/24/95/26/1018249526.db2.gz NEAXYQCIRSCJIQ-UHFFFAOYSA-N -1 1 322.792 3.944 20 0 DHADMM Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(F)cc1[O-] ZINC000676056269 1018650393 /nfs/dbraw/zinc/65/03/93/1018650393.db2.gz XARPMXKGKNZRAR-UHFFFAOYSA-N -1 1 324.355 3.878 20 0 DHADMM COc1ccccc1[C@@H]([N-]c1nnc(C2CC2)o1)c1ccccn1 ZINC000278461857 1018712921 /nfs/dbraw/zinc/71/29/21/1018712921.db2.gz STEORHLMORFAAW-MRXNPFEDSA-N -1 1 322.368 3.552 20 0 DHADMM Cc1cc(CNCc2ccccc2C(F)(F)F)oc1C(=O)[O-] ZINC000317989019 1018816547 /nfs/dbraw/zinc/81/65/47/1018816547.db2.gz FIPDMUQALCCWEO-UHFFFAOYSA-N -1 1 313.275 3.595 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])c1ccc2[nH]c(C(F)F)nc2c1 ZINC001171632438 1032793728 /nfs/dbraw/zinc/79/37/28/1032793728.db2.gz ANKBTKLGMGNEAN-UHFFFAOYSA-N -1 1 321.258 3.598 20 0 DHADMM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc(F)nc2)c(C)c1C ZINC000318052421 1018933280 /nfs/dbraw/zinc/93/32/80/1018933280.db2.gz AXAXYEBFISHVDL-UHFFFAOYSA-N -1 1 322.405 3.564 20 0 DHADMM O=C(NCCc1ccccc1F)c1ccc2ccccc2c1[O-] ZINC000018123418 1018935429 /nfs/dbraw/zinc/93/54/29/1018935429.db2.gz CAANMGLVMRSQQU-UHFFFAOYSA-N -1 1 309.340 3.657 20 0 DHADMM Cc1sc([C@@H](C)NCc2c(C)cccc2C)nc1C(=O)[O-] ZINC000900075032 1018984694 /nfs/dbraw/zinc/98/46/94/1018984694.db2.gz IOKPBTNSUKUPJW-LLVKDONJSA-N -1 1 304.415 3.617 20 0 DHADMM CC(C)(C)CC(C)(C)[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000007376104 1019025814 /nfs/dbraw/zinc/02/58/14/1019025814.db2.gz WZEFIGOPXKDMMN-UHFFFAOYSA-N -1 1 323.380 3.597 20 0 DHADMM O=S(=O)([N-]c1ccc(F)cc1)c1cc(Cl)cc(Cl)c1 ZINC000007401949 1019026601 /nfs/dbraw/zinc/02/66/01/1019026601.db2.gz UNKGLXCNKYNLMS-UHFFFAOYSA-N -1 1 320.172 3.933 20 0 DHADMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000007405646 1019028208 /nfs/dbraw/zinc/02/82/08/1019028208.db2.gz SBCVESIEQASUDB-UHFFFAOYSA-N -1 1 319.401 3.814 20 0 DHADMM Cc1nc(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])sc1C(C)(C)C ZINC000923251314 1019086690 /nfs/dbraw/zinc/08/66/90/1019086690.db2.gz YLKKHJVONQELDH-ZDUSSCGKSA-N -1 1 324.490 3.968 20 0 DHADMM COc1ccc(C(=O)Nc2nc3c(cccc3C)s2)c([O-])c1 ZINC000028835559 1019163864 /nfs/dbraw/zinc/16/38/64/1019163864.db2.gz BUPAAYSZJYULMV-UHFFFAOYSA-N -1 1 314.366 3.571 20 0 DHADMM CC[C@H](C)c1cc(C(=O)[N-]c2cc(C3(C)CCCC3)on2)on1 ZINC000448414195 1019204849 /nfs/dbraw/zinc/20/48/49/1019204849.db2.gz MPVYPVWNCIYMFS-NSHDSACASA-N -1 1 317.389 4.260 20 0 DHADMM COc1ccc2nc(-c3nc4ccccc4c(=O)[n-]3)ccc2c1 ZINC000077251364 1019269152 /nfs/dbraw/zinc/26/91/52/1019269152.db2.gz VZXOCEIEHJRWMV-UHFFFAOYSA-N -1 1 303.321 3.559 20 0 DHADMM CCOc1ccc(CN(C)C(=O)c2c([O-])cccc2Cl)cc1 ZINC000143154890 1019386515 /nfs/dbraw/zinc/38/65/15/1019386515.db2.gz RBYNOXNREAILRI-UHFFFAOYSA-N -1 1 319.788 3.717 20 0 DHADMM CCCCOc1ccc(-c2noc(-c3ncccc3[O-])n2)cc1 ZINC001212480681 1019418766 /nfs/dbraw/zinc/41/87/66/1019418766.db2.gz CKNZDMBBWXWPFN-UHFFFAOYSA-N -1 1 311.341 3.683 20 0 DHADMM COc1ccc2cccc(-c3noc(-c4ncccc4[O-])n3)c2c1 ZINC001212482614 1019422689 /nfs/dbraw/zinc/42/26/89/1019422689.db2.gz OUQGRNRFWPQZKI-UHFFFAOYSA-N -1 1 319.320 3.666 20 0 DHADMM O=C(NCCCSc1ccccc1)c1c(F)ccc([O-])c1F ZINC000347684538 1019445207 /nfs/dbraw/zinc/44/52/07/1019445207.db2.gz GAXYZXIQWLNOGC-UHFFFAOYSA-N -1 1 323.364 3.583 20 0 DHADMM COc1ccc(/C=C(/C)C(=O)Nc2cccc(F)c2[O-])cc1F ZINC001171638012 1032833073 /nfs/dbraw/zinc/83/30/73/1032833073.db2.gz RPIWGQQQVPEZPW-NTMALXAHSA-N -1 1 319.307 3.721 20 0 DHADMM COc1cccc2c1CN(C(=O)c1cc3ccccc3cc1[O-])C2 ZINC001171636314 1032834987 /nfs/dbraw/zinc/83/49/87/1032834987.db2.gz GHNFEHWQXSRHMO-UHFFFAOYSA-N -1 1 319.360 3.710 20 0 DHADMM Cc1ccc([C@@H]2CCCN2C(=O)c2cc(F)ccc2[O-])s1 ZINC000094150733 1019612661 /nfs/dbraw/zinc/61/26/61/1019612661.db2.gz LTGVZUDUXPCZGD-ZDUSSCGKSA-N -1 1 305.374 3.879 20 0 DHADMM O=C(Nc1nc2cc(F)c(F)cc2s1)c1ccccc1[O-] ZINC000058778963 1019649677 /nfs/dbraw/zinc/64/96/77/1019649677.db2.gz SPQQLJLFMMUPCK-UHFFFAOYSA-N -1 1 306.293 3.532 20 0 DHADMM CCOc1cc(-c2noc(-c3nccs3)n2)cc(Cl)c1[O-] ZINC000685364076 1019776792 /nfs/dbraw/zinc/77/67/92/1019776792.db2.gz WXPYDXPXSOVJBV-UHFFFAOYSA-N -1 1 323.761 3.618 20 0 DHADMM O=c1nc(NC2CCC(c3ccccc3)CC2)cc(Cl)[n-]1 ZINC000858344366 1032855337 /nfs/dbraw/zinc/85/53/37/1032855337.db2.gz YJGIGLFFCIJBFO-UHFFFAOYSA-N -1 1 303.793 3.974 20 0 DHADMM CSc1ccc([O-])c(C(=O)Nc2cnn(CC(C)C)c2C)c1 ZINC000613167855 1032857985 /nfs/dbraw/zinc/85/79/85/1032857985.db2.gz YBPOPOHINMBJMH-UHFFFAOYSA-N -1 1 319.430 3.527 20 0 DHADMM CCCCOc1cccc(NC(=O)c2ccc(OC)cc2[O-])c1 ZINC000065115120 1019897277 /nfs/dbraw/zinc/89/72/77/1019897277.db2.gz DNROTEBDGLHEEH-UHFFFAOYSA-N -1 1 315.369 3.832 20 0 DHADMM CCCc1ccc(CCCC(=O)[N-]OCC(F)(F)F)cc1 ZINC000843826941 1019913237 /nfs/dbraw/zinc/91/32/37/1019913237.db2.gz HLEAACUQVJEQMR-UHFFFAOYSA-N -1 1 303.324 3.572 20 0 DHADMM CC[C@@H](C)Oc1ccc(NC(=O)c2ccc(OC)cc2[O-])cc1 ZINC000065709897 1019921875 /nfs/dbraw/zinc/92/18/75/1019921875.db2.gz ZZODJWQSYPQVOT-GFCCVEGCSA-N -1 1 315.369 3.830 20 0 DHADMM O=C(NCCCc1cccc(F)c1)c1c([O-])cccc1Cl ZINC000731838910 1020156600 /nfs/dbraw/zinc/15/66/00/1020156600.db2.gz PDLFPYGZZFCNAY-UHFFFAOYSA-N -1 1 307.752 3.547 20 0 DHADMM CC(C)[C@H](N[C@@H](C)c1ccc(F)cc1[O-])C(=O)OC(C)(C)C ZINC000186351908 1020255051 /nfs/dbraw/zinc/25/50/51/1020255051.db2.gz AWACHLJDNIPJMR-NHYWBVRUSA-N -1 1 311.397 3.548 20 0 DHADMM O=C(c1cccc(Nc2ncc(Cl)cc2[O-])c1)C(F)(F)F ZINC001203336472 1032897177 /nfs/dbraw/zinc/89/71/77/1032897177.db2.gz IEIMONSYGAJLTI-UHFFFAOYSA-N -1 1 316.666 3.929 20 0 DHADMM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cccc2cn[nH]c21 ZINC000179690671 1020433741 /nfs/dbraw/zinc/43/37/41/1020433741.db2.gz OVBNVBQTNSIIQJ-UHFFFAOYSA-N -1 1 322.151 3.828 20 0 DHADMM Cc1cccc(-c2nc3cc(Cl)c(Cl)cc3c(=O)[n-]2)n1 ZINC000362315994 1020487306 /nfs/dbraw/zinc/48/73/06/1020487306.db2.gz BHVIFVBXNFJLAJ-UHFFFAOYSA-N -1 1 306.152 3.600 20 0 DHADMM CCc1onc(C)c1[N-]C(=O)c1sc(C(F)(F)F)nc1C ZINC000360393894 1020514922 /nfs/dbraw/zinc/51/49/22/1020514922.db2.gz LTROFKNSGUQJDY-UHFFFAOYSA-N -1 1 319.308 3.581 20 0 DHADMM O=c1nc(N[C@H]2CCC[C@@H](c3ccccc3)C2)cc(Cl)[n-]1 ZINC000858514621 1032929835 /nfs/dbraw/zinc/92/98/35/1032929835.db2.gz VGCHUJISUWSTHF-OLZOCXBDSA-N -1 1 303.793 3.974 20 0 DHADMM CCOc1ccc2cc(C(=O)Nc3c([O-])cccc3F)[nH]c2c1 ZINC000735925256 1020780165 /nfs/dbraw/zinc/78/01/65/1020780165.db2.gz QVXLLCHBHWDIGF-UHFFFAOYSA-N -1 1 314.316 3.664 20 0 DHADMM O=c1nc(N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)cc(Cl)[n-]1 ZINC000858521967 1032931437 /nfs/dbraw/zinc/93/14/37/1032931437.db2.gz UMTRGTLVGJITGU-ZYHUDNBSSA-N -1 1 307.756 3.723 20 0 DHADMM CC(C)[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1ccccn1 ZINC000736505140 1020820047 /nfs/dbraw/zinc/82/00/47/1020820047.db2.gz NZMSKMHKVCMBJF-HNNXBMFYSA-N -1 1 304.777 3.568 20 0 DHADMM Cc1ccc(-c2ncc(C(=O)[N-]c3nncs3)s2)c(C)c1 ZINC000148746357 1020985429 /nfs/dbraw/zinc/98/54/29/1020985429.db2.gz CJABWOCFOWZUQZ-UHFFFAOYSA-N -1 1 316.411 3.531 20 0 DHADMM O=c1nc(NC[C@H]2CCC[C@H]2c2ccccc2)cc(Cl)[n-]1 ZINC000858558255 1032944562 /nfs/dbraw/zinc/94/45/62/1032944562.db2.gz LVJCPAAXFXFKSS-OLZOCXBDSA-N -1 1 303.793 3.831 20 0 DHADMM N#CCOc1cc(F)ccc1NCc1cccc(Cl)c1[O-] ZINC000181547689 1021238328 /nfs/dbraw/zinc/23/83/28/1021238328.db2.gz IVYHLDXGNJRSIR-UHFFFAOYSA-N -1 1 306.724 3.699 20 0 DHADMM CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)c1ncccc1C)C(F)(F)F ZINC000278806456 1021251335 /nfs/dbraw/zinc/25/13/35/1021251335.db2.gz OANUMHCLVCZECW-LDYMZIIASA-N -1 1 324.293 3.575 20 0 DHADMM O=C(Nc1ccc(COc2ccccc2)cc1)c1cncc([O-])c1 ZINC000091368153 1021279041 /nfs/dbraw/zinc/27/90/41/1021279041.db2.gz OHJPRCHJOAWDCD-UHFFFAOYSA-N -1 1 320.348 3.619 20 0 DHADMM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)c1c([O-])cccc1Cl ZINC000743643518 1021337755 /nfs/dbraw/zinc/33/77/55/1021337755.db2.gz YXXOLYLYQINGGB-WMLDXEAASA-N -1 1 301.773 3.506 20 0 DHADMM Cc1ncc(NC(=O)c2ccc(C(C)C)cc2[O-])c(C2CC2)n1 ZINC000647659836 1021504356 /nfs/dbraw/zinc/50/43/56/1021504356.db2.gz YUVWCVBYGPHCHE-UHFFFAOYSA-N -1 1 311.385 3.744 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(Cl)s2)c1 ZINC000744453834 1021552015 /nfs/dbraw/zinc/55/20/15/1021552015.db2.gz WEICRIHDJYEDTE-UHFFFAOYSA-N -1 1 324.785 3.709 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc(C)sc2C)c1 ZINC000744583980 1021574047 /nfs/dbraw/zinc/57/40/47/1021574047.db2.gz QGEUPKJIQRRFSD-UHFFFAOYSA-N -1 1 318.394 3.673 20 0 DHADMM C[C@H]1CCc2[n-]n(Cc3cccc(Br)c3)c(=O)c2C1 ZINC000634613855 1021591550 /nfs/dbraw/zinc/59/15/50/1021591550.db2.gz KLYAIDMAADCSQW-GXFFZTMASA-N -1 1 321.218 3.584 20 0 DHADMM CCCC[C@H](CC)C(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000744767374 1021597584 /nfs/dbraw/zinc/59/75/84/1021597584.db2.gz CPFMRUYNWWFSRW-AWEZNQCLSA-N -1 1 306.402 3.897 20 0 DHADMM O=C(NC[C@@H]1Cc2ccccc21)c1cc2ccccc2cc1[O-] ZINC000321643673 1021665096 /nfs/dbraw/zinc/66/50/96/1021665096.db2.gz PFYQQXOCWNXOCI-INIZCTEOSA-N -1 1 303.361 3.615 20 0 DHADMM CCCc1ccc(S(=O)(=O)[N-]c2cccc(OCC)c2)cc1 ZINC000071977697 1021768353 /nfs/dbraw/zinc/76/83/53/1021768353.db2.gz MYCXQYQXGCHCAZ-UHFFFAOYSA-N -1 1 319.426 3.839 20 0 DHADMM O=C1c2ccc([O-])cc2C/C1=C/c1c(Cl)nc2sccn12 ZINC000187226787 1021932725 /nfs/dbraw/zinc/93/27/25/1021932725.db2.gz STTSDOXRWPGRMQ-CLFYSBASSA-N -1 1 316.769 3.577 20 0 DHADMM Cc1ccccc1CC1CN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000085652329 1021944758 /nfs/dbraw/zinc/94/47/58/1021944758.db2.gz YMXPSHPPYYUZKF-UHFFFAOYSA-N -1 1 315.800 3.669 20 0 DHADMM O=C1N=NC(=O)c2c(Nc3c(Cl)ccc([O-])c3F)cccc21 ZINC001214561398 1022086361 /nfs/dbraw/zinc/08/63/61/1022086361.db2.gz KIEFXFURUINCSM-UHFFFAOYSA-N -1 1 319.679 3.675 20 0 DHADMM COc1cc(C(=O)N2CCC[C@H](C3CCC3)C2)cc(Cl)c1[O-] ZINC000620215500 1022087169 /nfs/dbraw/zinc/08/71/69/1022087169.db2.gz UQIMSSYJCPLVIV-LBPRGKRZSA-N -1 1 323.820 3.707 20 0 DHADMM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1cc(F)ccc1F ZINC000746441839 1022098373 /nfs/dbraw/zinc/09/83/73/1022098373.db2.gz ZNDOJOOXECCXCH-UHFFFAOYSA-N -1 1 306.190 3.532 20 0 DHADMM COc1cccc([C@@H](C)NC(=O)c2c([O-])cccc2Cl)c1 ZINC000920445250 1022121509 /nfs/dbraw/zinc/12/15/09/1022121509.db2.gz UYKDSFXUSDCYNM-SNVBAGLBSA-N -1 1 305.761 3.545 20 0 DHADMM C[C@@H](C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)[C@@H](C)C(C)(C)C ZINC001168922560 1022184645 /nfs/dbraw/zinc/18/46/45/1022184645.db2.gz OONLACNXUKTGGW-CHWSQXEVSA-N -1 1 315.417 3.835 20 0 DHADMM O=C(NCc1ccc([O-])c(Cl)c1)N1CCC[C@@H]2CCC[C@H]21 ZINC000876393136 1033034812 /nfs/dbraw/zinc/03/48/12/1033034812.db2.gz DCMQYXUCAIBHKD-GXTWGEPZSA-N -1 1 308.809 3.520 20 0 DHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NCC2CC=CC2)c1 ZINC000853061649 1022212565 /nfs/dbraw/zinc/21/25/65/1022212565.db2.gz GGLCZTTUHJWRRZ-UHFFFAOYSA-N -1 1 312.335 3.552 20 0 DHADMM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2ccc([O-])cc2F)C1 ZINC000154910764 1022344935 /nfs/dbraw/zinc/34/49/35/1022344935.db2.gz DLFRJNPTYKVHFJ-ZIAGYGMSSA-N -1 1 313.372 3.858 20 0 DHADMM O=C(Nc1cccc(Oc2ccccn2)c1)c1ccc([O-])cc1F ZINC000154946435 1022348280 /nfs/dbraw/zinc/34/82/80/1022348280.db2.gz UBVOWHTUTQQDHI-UHFFFAOYSA-N -1 1 324.311 3.971 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1coc(C2CCC2)n1 ZINC000885678437 1022462290 /nfs/dbraw/zinc/46/22/90/1022462290.db2.gz OWVWUSMJBCZIPS-UHFFFAOYSA-N -1 1 310.712 3.693 20 0 DHADMM O=C(CCCO)c1ccc(Nc2ccc(Cl)c([O-])c2)cc1 ZINC001212594930 1022547922 /nfs/dbraw/zinc/54/79/22/1022547922.db2.gz DMOOMFPAUCZBDG-UHFFFAOYSA-N -1 1 305.761 3.744 20 0 DHADMM O=C(NC1(c2c(F)cccc2F)CCC1)c1c([O-])cccc1F ZINC001169963991 1022603722 /nfs/dbraw/zinc/60/37/22/1022603722.db2.gz SBAHKQWNMDFHBH-UHFFFAOYSA-N -1 1 321.298 3.619 20 0 DHADMM CC1(C)C[C@@]1(C(=O)Nc1ccc([O-])c(F)c1F)c1ccccc1 ZINC000616100093 1022637529 /nfs/dbraw/zinc/63/75/29/1022637529.db2.gz HDHZAHICAHMTTF-SFHVURJKSA-N -1 1 317.335 3.977 20 0 DHADMM CC[C@@H](C)[C@H]([N-]C(=O)C(F)(F)c1ccccc1)C(F)(F)F ZINC000767109851 1022641226 /nfs/dbraw/zinc/64/12/26/1022641226.db2.gz XVOMLVNVKCKUPY-KOLCDFICSA-N -1 1 309.278 3.872 20 0 DHADMM O=C([O-])C[C@H](NCc1cnc(C2CCC2)s1)c1ccsc1 ZINC000417539908 1022778214 /nfs/dbraw/zinc/77/82/14/1022778214.db2.gz WFUBLGNCVWGKHS-ZDUSSCGKSA-N -1 1 322.455 3.778 20 0 DHADMM Cc1ccc([C@H](CC(=O)[O-])NCc2ccc(C)c(Cl)c2)o1 ZINC000417571090 1022786768 /nfs/dbraw/zinc/78/67/68/1022786768.db2.gz NKKKCAHRCPMYBH-AWEZNQCLSA-N -1 1 307.777 3.855 20 0 DHADMM CC(Cl)(Cl)C(=O)[N-]Nc1ccc(Cl)cc1Cl ZINC000180781524 1022825449 /nfs/dbraw/zinc/82/54/49/1022825449.db2.gz HACZPPLJAWTKIM-UHFFFAOYSA-N -1 1 301.988 3.630 20 0 DHADMM O=C(CCCc1ccc(F)cc1)Nc1cc([O-])c(F)cc1F ZINC001625897273 1022879439 /nfs/dbraw/zinc/87/94/39/1022879439.db2.gz XBPZSUKXCYGLSE-UHFFFAOYSA-N -1 1 309.287 3.771 20 0 DHADMM CC1(C)C[C@]1(C(=O)Nc1cc([O-])c(F)cc1F)c1ccccc1 ZINC001625897259 1022880575 /nfs/dbraw/zinc/88/05/75/1022880575.db2.gz WUVOFDKUYWUSOQ-GOSISDBHSA-N -1 1 317.335 3.977 20 0 DHADMM CSc1nc(Nc2ccc(C3CCOCC3)cc2)cc(=O)[n-]1 ZINC001212651503 1033087746 /nfs/dbraw/zinc/08/77/46/1033087746.db2.gz PHXZCCMWGDNFSQ-UHFFFAOYSA-N -1 1 317.414 3.542 20 0 DHADMM [O-]c1ccc(-c2nc(-c3cnc4ccccc4c3)no2)c(F)c1 ZINC000323747526 1022942805 /nfs/dbraw/zinc/94/28/05/1022942805.db2.gz RNYLPLZELHVYAG-UHFFFAOYSA-N -1 1 307.284 3.797 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N1CCc2ccc(F)c(F)c2C1 ZINC000768382131 1022961347 /nfs/dbraw/zinc/96/13/47/1022961347.db2.gz ZSVMKCNDJDXIHH-UHFFFAOYSA-N -1 1 323.726 3.522 20 0 DHADMM O=C(Nc1cc(F)cc(F)c1[O-])NC12CC3CC(CC(C3)C1)C2 ZINC000168979451 1023036514 /nfs/dbraw/zinc/03/65/14/1023036514.db2.gz YSSWERUSBBNEEZ-UHFFFAOYSA-N -1 1 322.355 3.761 20 0 DHADMM CC[C@@H](C)[C@@H](NC(=O)c1c([O-])cccc1Cl)C(F)(F)F ZINC000769081619 1023084315 /nfs/dbraw/zinc/08/43/15/1023084315.db2.gz GEBOLVGAKWPDAM-RDDDGLTNSA-N -1 1 309.715 3.752 20 0 DHADMM CCCOc1cc(C)ccc1NC(=O)c1cc(F)ccc1[O-] ZINC000622317414 1023114008 /nfs/dbraw/zinc/11/40/08/1023114008.db2.gz YBGNIQCVEQKLKQ-UHFFFAOYSA-N -1 1 303.333 3.881 20 0 DHADMM O=C(N[C@H](c1cccs1)C1CC1)c1c([O-])cccc1Cl ZINC000769655383 1023192294 /nfs/dbraw/zinc/19/22/94/1023192294.db2.gz ZOOAZBLJUKVJQM-AWEZNQCLSA-N -1 1 307.802 3.988 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N1CCS[C@H]2CCCC[C@H]21 ZINC000769962879 1023246914 /nfs/dbraw/zinc/24/69/14/1023246914.db2.gz VQNIDMSQUVFLGI-YPMHNXCESA-N -1 1 311.834 3.546 20 0 DHADMM C[C@H](c1cccc(O)c1)N(C)C(=O)c1c([O-])cccc1Cl ZINC000769992174 1023257907 /nfs/dbraw/zinc/25/79/07/1023257907.db2.gz AVPXFSYNVUOZFW-SNVBAGLBSA-N -1 1 305.761 3.584 20 0 DHADMM C[C@@H](CCc1ccc(O)cc1)NC(=O)c1c([O-])cccc1Cl ZINC000770031473 1023265076 /nfs/dbraw/zinc/26/50/76/1023265076.db2.gz ACGUAGDJHUTWPE-NSHDSACASA-N -1 1 319.788 3.502 20 0 DHADMM CC(=O)CCCCCCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000771225008 1023413991 /nfs/dbraw/zinc/41/39/91/1023413991.db2.gz RBQYIDQOLNVKOX-UHFFFAOYSA-N -1 1 306.337 3.663 20 0 DHADMM O=C(CC1(CSc2ccccc2)CC1)[N-]OCC(F)(F)F ZINC000771417325 1023429272 /nfs/dbraw/zinc/42/92/72/1023429272.db2.gz ZLBPTXSCWQRERE-UHFFFAOYSA-N -1 1 319.348 3.559 20 0 DHADMM C[C@H](CC(=O)[N-]OCC(F)(F)F)Cc1ccc(Cl)cc1 ZINC000771706254 1023462911 /nfs/dbraw/zinc/46/29/11/1023462911.db2.gz SNAPSKUGWUUUMB-VIFPVBQESA-N -1 1 309.715 3.519 20 0 DHADMM CC(C)(C)c1ccc2c(c1)CCCN2C(=O)c1cncc([O-])c1 ZINC000786501128 1023703858 /nfs/dbraw/zinc/70/38/58/1023703858.db2.gz RCDBTKFEMGGHAS-UHFFFAOYSA-N -1 1 310.397 3.678 20 0 DHADMM O=C([N-][C@@H](c1cccc2ccccc21)C(F)(F)F)C(F)F ZINC000787510242 1023797685 /nfs/dbraw/zinc/79/76/85/1023797685.db2.gz FYXVYNCRMFYEJL-NSHDSACASA-N -1 1 303.230 3.825 20 0 DHADMM Cc1c(=O)[n-]c(SCC[C@@H](O)C(C)C)nc1-c1ccccc1 ZINC000882154632 1023978238 /nfs/dbraw/zinc/97/82/38/1023978238.db2.gz UOTZIIPHQAXYJF-CQSZACIVSA-N -1 1 318.442 3.657 20 0 DHADMM CCc1cc(=O)[n-]c(SC[C@H]2CC[C@H](c3ccccc3)O2)n1 ZINC000882154998 1023979104 /nfs/dbraw/zinc/97/91/04/1023979104.db2.gz CMGMNRCDMVLAQL-HUUCEWRRSA-N -1 1 316.426 3.757 20 0 DHADMM C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)c1ccc(F)nc1 ZINC000882170425 1023983867 /nfs/dbraw/zinc/98/38/67/1023983867.db2.gz RVFJUXZBNCUYNM-ZCFIWIBFSA-N -1 1 301.293 3.507 20 0 DHADMM CC(C)(C)CN(CC(=O)[O-])Cc1cnc(-c2ccccc2)s1 ZINC000662225646 1023996807 /nfs/dbraw/zinc/99/68/07/1023996807.db2.gz MEPDCLIEDVERLF-UHFFFAOYSA-N -1 1 318.442 3.743 20 0 DHADMM Cc1nc(SC[C@@H]2CCC3(CCC3)O2)[n-]c(=O)c1C1CC1 ZINC000882277478 1024014324 /nfs/dbraw/zinc/01/43/24/1024014324.db2.gz MAFVGYJBLIFZOD-LBPRGKRZSA-N -1 1 306.431 3.562 20 0 DHADMM O=C(N[C@H]1CCCC[C@H]1CC(F)(F)F)c1c([O-])cccc1F ZINC000452507159 1024110403 /nfs/dbraw/zinc/11/04/03/1024110403.db2.gz DAVQQZIBYPFVDF-ONGXEEELSA-N -1 1 319.298 3.772 20 0 DHADMM Cc1nc(-c2ccc(N[C@@H]3C[C@@H]4CCCC[C@H]34)nc2)[n-]c(=O)c1C ZINC000882907103 1024166692 /nfs/dbraw/zinc/16/66/92/1024166692.db2.gz LIVJYFCZIMGIGP-CWRNSKLLSA-N -1 1 324.428 3.852 20 0 DHADMM Cc1ccc(C(=O)Nc2nc(Cl)ccc2[O-])c(F)c1Cl ZINC000790047909 1024213023 /nfs/dbraw/zinc/21/30/23/1024213023.db2.gz LSLVKRPGBGZBDM-UHFFFAOYSA-N -1 1 315.131 3.794 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc(OC2CCC2)cc1 ZINC000790049180 1024214250 /nfs/dbraw/zinc/21/42/50/1024214250.db2.gz VSTPIGRYJPCNLU-UHFFFAOYSA-N -1 1 318.760 3.624 20 0 DHADMM COc1ccc([C@H](C)CC(=O)Nc2nc(Cl)ccc2[O-])cc1 ZINC000790056974 1024215228 /nfs/dbraw/zinc/21/52/28/1024215228.db2.gz RLWSITJRFLAAOS-SNVBAGLBSA-N -1 1 320.776 3.582 20 0 DHADMM C[C@@H](NC(=O)c1c([O-])cccc1Cl)[C@@H](C)c1ccccc1 ZINC000746893195 1024272170 /nfs/dbraw/zinc/27/21/70/1024272170.db2.gz BHRLWDLKXNPVHH-VXGBXAGGSA-N -1 1 303.789 3.968 20 0 DHADMM Cc1c(=O)[n-]n(-c2ccccc2)c1N[C@H](C)CCOC(C)C ZINC001172440230 1033200471 /nfs/dbraw/zinc/20/04/71/1033200471.db2.gz IRWFJSPWFOMGSD-CYBMUJFWSA-N -1 1 303.406 3.502 20 0 DHADMM O=C(OCCSCc1ccccc1)c1ccc([O-])cc1F ZINC000790663658 1024354522 /nfs/dbraw/zinc/35/45/22/1024354522.db2.gz SVGWMRHGFBETBF-UHFFFAOYSA-N -1 1 306.358 3.622 20 0 DHADMM Cc1cc(-c2nc(-c3ccc([O-])cc3Cl)no2)nn1C(C)C ZINC000453173960 1024383179 /nfs/dbraw/zinc/38/31/79/1024383179.db2.gz ISJNKAJVXGZIDA-UHFFFAOYSA-N -1 1 318.764 3.848 20 0 DHADMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000007409023 1024408377 /nfs/dbraw/zinc/40/83/77/1024408377.db2.gz AMUGUBGWTIJMER-UHFFFAOYSA-N -1 1 321.829 3.938 20 0 DHADMM O=C(NCc1noc2ccccc12)c1cc2ccccc2cc1[O-] ZINC000791179312 1024453779 /nfs/dbraw/zinc/45/37/79/1024453779.db2.gz JWAJNKXIVJFSAU-UHFFFAOYSA-N -1 1 318.332 3.617 20 0 DHADMM O=C([N-]c1csnc1-c1ccccc1)c1ncc(F)cc1F ZINC001126306081 1024602152 /nfs/dbraw/zinc/60/21/52/1024602152.db2.gz JJNKJEZKLZFNAG-UHFFFAOYSA-N -1 1 317.320 3.736 20 0 DHADMM O=C(Nc1cc(F)ccc1F)Nc1c(F)cc([O-])cc1F ZINC001202658552 1024787128 /nfs/dbraw/zinc/78/71/28/1024787128.db2.gz JISKFHXIOLPAMM-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM Cc1cc([N-]S(=O)(=O)c2ccsc2)ccc1OC(C)C ZINC000350872062 1024860851 /nfs/dbraw/zinc/86/08/51/1024860851.db2.gz TZMMCITZUHMMGW-UHFFFAOYSA-N -1 1 311.428 3.645 20 0 DHADMM CCc1cccc(Cl)c1CNCc1ccc(CC(=O)[O-])cc1 ZINC000859819421 1033242305 /nfs/dbraw/zinc/24/23/05/1033242305.db2.gz DCJLEVDEANNRTK-UHFFFAOYSA-N -1 1 317.816 3.819 20 0 DHADMM O=C([O-])[C@@H]1CCN(Cc2cc(Cl)ccc2OC2CCCC2)C1 ZINC000263441250 1025003895 /nfs/dbraw/zinc/00/38/95/1025003895.db2.gz WNOXVRIWDQWCBH-GFCCVEGCSA-N -1 1 323.820 3.568 20 0 DHADMM COC(=O)c1cc(-c2ccc(Cl)c([O-])c2)c(F)cc1OC ZINC001243584099 1025188006 /nfs/dbraw/zinc/18/80/06/1025188006.db2.gz QSDNDWNJMHJYOZ-UHFFFAOYSA-N -1 1 310.708 3.647 20 0 DHADMM C[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)[C@@H](C(=O)[O-])C1 ZINC000229297116 1025256469 /nfs/dbraw/zinc/25/64/69/1025256469.db2.gz AMKOSLROHVHQBD-NOZJJQNGSA-N -1 1 302.201 3.679 20 0 DHADMM CC(=O)c1ccc(-c2nc3ccc([O-])cc3c(=O)[nH]2)cc1Cl ZINC000436946875 1025253004 /nfs/dbraw/zinc/25/30/04/1025253004.db2.gz CEVOOZJVVWRJTG-UHFFFAOYSA-N -1 1 314.728 3.564 20 0 DHADMM COC(=O)c1cc(Cl)cc([N-]c2noc(C(C)(C)C)n2)c1 ZINC001213331987 1025359807 /nfs/dbraw/zinc/35/98/07/1025359807.db2.gz WIOJAFJAWYFVPT-UHFFFAOYSA-N -1 1 309.753 3.551 20 0 DHADMM CC[C@H]1C[C@H](CC(=O)Nc2cc(F)c([O-])cc2Cl)CCO1 ZINC000885676899 1025377760 /nfs/dbraw/zinc/37/77/60/1025377760.db2.gz VZVCDEHLJJSILL-ZJUUUORDSA-N -1 1 315.772 3.719 20 0 DHADMM COC1CCC(CC(=O)Nc2cc(F)c([O-])cc2Cl)CC1 ZINC000885676267 1025378357 /nfs/dbraw/zinc/37/83/57/1025378357.db2.gz LGGXKMZGJNEBQF-UHFFFAOYSA-N -1 1 315.772 3.719 20 0 DHADMM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885676670 1025379722 /nfs/dbraw/zinc/37/97/22/1025379722.db2.gz RGDQCJDEFJFNMY-XPTSAGLGSA-N -1 1 315.772 3.719 20 0 DHADMM CC[C@H](C)n1ncc([N-]c2nc(C3CCOCC3)ns2)c1C ZINC000663839011 1025434627 /nfs/dbraw/zinc/43/46/27/1025434627.db2.gz GWRUEOZKHGQJAT-JTQLQIEISA-N -1 1 321.450 3.652 20 0 DHADMM Cc1ncc(/C=C/C(=O)Nc2cc(F)c([O-])cc2Cl)s1 ZINC001157899450 1025496103 /nfs/dbraw/zinc/49/61/03/1025496103.db2.gz IQSWNKDJDGETNT-NSCUHMNNSA-N -1 1 312.753 3.602 20 0 DHADMM O=C(c1cncc([O-])c1)N1C[C@H](c2ccccc2)c2ccccc21 ZINC000355333174 1025682725 /nfs/dbraw/zinc/68/27/25/1025682725.db2.gz JSRLJAOCNRIKLV-GOSISDBHSA-N -1 1 316.360 3.580 20 0 DHADMM CCCCO[C@@H]1C[C@H](N(C)C(=O)c2cccc([O-])c2F)C1(C)C ZINC001137234989 1026014474 /nfs/dbraw/zinc/01/44/74/1026014474.db2.gz YPJUQYDDZKVYKK-LSDHHAIUSA-N -1 1 323.408 3.587 20 0 DHADMM CCCCO[C@H]1C[C@@H](N(C)C(=O)c2cccc([O-])c2F)C1(C)C ZINC001137234986 1026016631 /nfs/dbraw/zinc/01/66/31/1026016631.db2.gz YPJUQYDDZKVYKK-CABCVRRESA-N -1 1 323.408 3.587 20 0 DHADMM CSc1nc2ccccc2c(C)c1[N-]C(=O)c1cc(C)no1 ZINC001130955890 1026072595 /nfs/dbraw/zinc/07/25/95/1026072595.db2.gz XBXWQCWHHZTXFG-UHFFFAOYSA-N -1 1 313.382 3.814 20 0 DHADMM C[C@H](SCCC[N-]C(=O)C(F)(F)F)c1ccc(F)cc1 ZINC000178804063 1026198292 /nfs/dbraw/zinc/19/82/92/1026198292.db2.gz BAGGESBBHWCMMI-VIFPVBQESA-N -1 1 309.328 3.689 20 0 DHADMM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C2CC2)cc1 ZINC000808104637 1026204103 /nfs/dbraw/zinc/20/41/03/1026204103.db2.gz ZYRYHUKMGUFLTG-UHFFFAOYSA-N -1 1 322.817 3.722 20 0 DHADMM CCCc1cc(=O)[n-]c(S[C@@H](C(C)=O)c2ccccc2)n1 ZINC000513324038 1026475900 /nfs/dbraw/zinc/47/59/00/1026475900.db2.gz VXIKSFASKUHFMF-HNNXBMFYSA-N -1 1 302.399 3.557 20 0 DHADMM O=C(Cc1ccc(Cl)s1)Nc1ccc([O-])c(Cl)c1 ZINC000513434336 1026504464 /nfs/dbraw/zinc/50/44/64/1026504464.db2.gz MKVZAJJIMZHUOS-UHFFFAOYSA-N -1 1 302.182 3.942 20 0 DHADMM CC(C)(F)C[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC001132139920 1026707966 /nfs/dbraw/zinc/70/79/66/1026707966.db2.gz KLSHMAIGCIKAJU-UHFFFAOYSA-N -1 1 314.134 3.950 20 0 DHADMM CCCC1(c2noc(-c3cc(NC(C)=O)ccc3[O-])n2)CCC1 ZINC000420516742 1026829757 /nfs/dbraw/zinc/82/97/57/1026829757.db2.gz FHHHTHJTDVPUKB-UHFFFAOYSA-N -1 1 315.373 3.622 20 0 DHADMM C[C@@H](C(=O)[N-]OC/C=C/Cl)c1ccc(Cl)c(Cl)c1 ZINC000812407749 1027283892 /nfs/dbraw/zinc/28/38/92/1027283892.db2.gz YYVYPWFNISGZQN-IBDUZEINSA-N -1 1 308.592 3.897 20 0 DHADMM CCCC[C@@H](C)N(C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000932052774 1027353685 /nfs/dbraw/zinc/35/36/85/1027353685.db2.gz DAJGNXNGDUJXPK-CYBMUJFWSA-N -1 1 316.405 3.620 20 0 DHADMM Cc1nc(COC(C)(C)C)oc1C(=O)[N-]c1c(F)cccc1F ZINC000575063543 1027449507 /nfs/dbraw/zinc/44/95/07/1027449507.db2.gz ZEKNGTKRLMLRKJ-UHFFFAOYSA-N -1 1 324.327 3.829 20 0 DHADMM CCC[C@@H](CC)S(=O)(=O)[N-]c1ccccc1OC(F)F ZINC000576218037 1027585635 /nfs/dbraw/zinc/58/56/35/1027585635.db2.gz ZLUYWWDZWCZFBN-SNVBAGLBSA-N -1 1 307.362 3.608 20 0 DHADMM CCOc1cc(C(=O)N(CC)[C@H](C)C(C)C)cc(Cl)c1[O-] ZINC000576314265 1027600460 /nfs/dbraw/zinc/60/04/60/1027600460.db2.gz MDXUIZPEHIUNLU-LLVKDONJSA-N -1 1 313.825 3.951 20 0 DHADMM [O-]c1ccc(-c2noc(C3(C(F)(F)F)CCC3)n2)c(F)c1 ZINC000296877246 1027750455 /nfs/dbraw/zinc/75/04/55/1027750455.db2.gz OBURIXJNUOPSBP-UHFFFAOYSA-N -1 1 302.227 3.565 20 0 DHADMM CCc1cc(=O)[n-]c(S[C@@H](C(=O)C2CC2)c2ccccc2)n1 ZINC000578768525 1028237024 /nfs/dbraw/zinc/23/70/24/1028237024.db2.gz HHPPOLDVJLHTGM-MRXNPFEDSA-N -1 1 314.410 3.557 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H]1/C=C/c1cccs1 ZINC000368357718 1028341942 /nfs/dbraw/zinc/34/19/42/1028341942.db2.gz NATXVBWSZIGRHK-YBJDMEARSA-N -1 1 317.385 3.911 20 0 DHADMM CC[C@H]1CCCCN1Cc1nc2cc(C(=O)[O-])ccc2n1CC ZINC000566358523 1028709111 /nfs/dbraw/zinc/70/91/11/1028709111.db2.gz XJFPYPKBTBZXTJ-AWEZNQCLSA-N -1 1 315.417 3.519 20 0 DHADMM Cc1oc(CN(C)CCSC2CCCCC2)cc1C(=O)[O-] ZINC000566362634 1028710688 /nfs/dbraw/zinc/71/06/88/1028710688.db2.gz VQUAPBRCKKGMPS-UHFFFAOYSA-N -1 1 311.447 3.784 20 0 DHADMM CCc1nc(SCc2csc(C3CC3)n2)[n-]c(=O)c1C ZINC000566498062 1028734248 /nfs/dbraw/zinc/73/42/48/1028734248.db2.gz AHQMIKUQGXFHQI-UHFFFAOYSA-N -1 1 307.444 3.679 20 0 DHADMM Cc1nc(-c2ccc(N3CC4(CCC4)C[C@@H]3C)nc2)[n-]c(=O)c1C ZINC000373020672 1028937356 /nfs/dbraw/zinc/93/73/56/1028937356.db2.gz QIMRJDKVMFDGBZ-LBPRGKRZSA-N -1 1 324.428 3.630 20 0 DHADMM CO[C@@H](C(=O)Nc1cc(Cl)c([O-])c2ccccc12)C1CCC1 ZINC000628233606 1028952560 /nfs/dbraw/zinc/95/25/60/1028952560.db2.gz MBLNXLKHJNTWQA-MRXNPFEDSA-N -1 1 319.788 3.952 20 0 DHADMM Cc1cnc([C@@H]2CCCCN2C(=O)c2cc(F)ccc2[O-])s1 ZINC000373165058 1028967299 /nfs/dbraw/zinc/96/72/99/1028967299.db2.gz GASQUKLOOPXBGN-ZDUSSCGKSA-N -1 1 320.389 3.664 20 0 DHADMM CCOc1cc(C(=O)NC[C@@H]2C[C@H]2C2CCC2)cc(Cl)c1[O-] ZINC000567892958 1028970405 /nfs/dbraw/zinc/97/04/05/1028970405.db2.gz YGJTUJJVWCQCHI-STQMWFEESA-N -1 1 323.820 3.610 20 0 DHADMM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)[N-]Oc1ccccc1 ZINC000816684485 1028989323 /nfs/dbraw/zinc/98/93/23/1028989323.db2.gz CXLDZRLCZVOHGO-LBPRGKRZSA-N -1 1 323.314 3.994 20 0 DHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@H]1CCCCC1(F)F ZINC000449802797 1029003872 /nfs/dbraw/zinc/00/38/72/1029003872.db2.gz MBXBORYICGERGR-GFCCVEGCSA-N -1 1 321.327 3.546 20 0 DHADMM O=C(NC[C@H]1CCCCC(F)(F)C1)c1c([O-])cccc1Cl ZINC000816789373 1029006265 /nfs/dbraw/zinc/00/62/65/1029006265.db2.gz NARFNJUDQHBZDB-JTQLQIEISA-N -1 1 317.763 3.991 20 0 DHADMM CSc1ccc([O-])c(C(=O)Nc2cccc3ncccc32)c1 ZINC001135729456 1029032552 /nfs/dbraw/zinc/03/25/52/1029032552.db2.gz JJKZKERWMXSCDG-UHFFFAOYSA-N -1 1 310.378 3.915 20 0 DHADMM CC[C@H](C)CO[N-]C(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000816980969 1029047484 /nfs/dbraw/zinc/04/74/84/1029047484.db2.gz XGAPTHPPLPRBML-UONOGXRCSA-N -1 1 305.418 3.723 20 0 DHADMM CC(C)(C)c1ccc(NC(=O)c2c(F)ccc([O-])c2F)c(O)c1 ZINC000568330168 1029049690 /nfs/dbraw/zinc/04/96/90/1029049690.db2.gz XEBMAWGTGIRGRL-UHFFFAOYSA-N -1 1 321.323 3.926 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CC[C@H]2CC[C@@H](C1)S2 ZINC000628655105 1029115541 /nfs/dbraw/zinc/11/55/41/1029115541.db2.gz BHFYMYSARKFDOG-CABCVRRESA-N -1 1 313.422 3.656 20 0 DHADMM COc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1OC ZINC000190813394 1029164790 /nfs/dbraw/zinc/16/47/90/1029164790.db2.gz YEVVAOLOEVQSPC-UHFFFAOYSA-N -1 1 311.740 3.814 20 0 DHADMM CCOC1CC(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)C1 ZINC000529538710 1029378371 /nfs/dbraw/zinc/37/83/71/1029378371.db2.gz KLFPLRZJBRYUKF-UHFFFAOYSA-N -1 1 319.788 3.952 20 0 DHADMM CC[C@@](C)(OC)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529539821 1029382126 /nfs/dbraw/zinc/38/21/26/1029382126.db2.gz VMQUUBFNKIYWMM-MRXNPFEDSA-N -1 1 307.777 3.952 20 0 DHADMM O=C(Nc1ccc2c[nH]nc2c1)c1ccc(C(F)(F)F)c([O-])c1 ZINC001136138337 1029387423 /nfs/dbraw/zinc/38/74/23/1029387423.db2.gz JVMYLQSCMRYIHZ-UHFFFAOYSA-N -1 1 321.258 3.540 20 0 DHADMM Cc1cccc(CN(C)C(=O)Cc2ccc([O-])c(Cl)c2)c1 ZINC001136184288 1029476847 /nfs/dbraw/zinc/47/68/47/1029476847.db2.gz MDYCESMUQLBNCV-UHFFFAOYSA-N -1 1 303.789 3.555 20 0 DHADMM CCC(CC)c1nnc([N-]C(=O)c2onc3ccccc32)s1 ZINC001136359015 1029749480 /nfs/dbraw/zinc/74/94/80/1029749480.db2.gz OELDEXBXGHFWPJ-UHFFFAOYSA-N -1 1 316.386 3.835 20 0 DHADMM C[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)C1CCCCC1 ZINC000450959117 1029750147 /nfs/dbraw/zinc/75/01/47/1029750147.db2.gz OCCSHIAMVMNWTR-QMMMGPOBSA-N -1 1 316.373 3.750 20 0 DHADMM CCc1ccc(C(=O)N2C[C@@H](C)Oc3ccc(C)cc32)c([O-])c1 ZINC000530331549 1029815322 /nfs/dbraw/zinc/81/53/22/1029815322.db2.gz VMNKJRQEQYZBCE-CYBMUJFWSA-N -1 1 311.381 3.691 20 0 DHADMM O=C(Cc1cc(Cl)cc2ccccc21)[N-]O[C@H]1CCCCO1 ZINC001136459886 1029851794 /nfs/dbraw/zinc/85/17/94/1029851794.db2.gz JZQHSIYCZPMCLN-KRWDZBQOSA-N -1 1 319.788 3.610 20 0 DHADMM CC[C@H](C)CO[N-]C(=O)[C@@H](C)c1ccccc1C(F)(F)F ZINC000794867654 1030018394 /nfs/dbraw/zinc/01/83/94/1030018394.db2.gz ZQXFVIOISZEGSZ-QWRGUYRKSA-N -1 1 303.324 3.903 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccnn1C1CCCC1 ZINC000357379752 1030025228 /nfs/dbraw/zinc/02/52/28/1030025228.db2.gz UAQPFFRJWXWMNH-UHFFFAOYSA-N -1 1 305.765 3.610 20 0 DHADMM CC[C@@H](C)CO[N-]C(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000794876486 1030079076 /nfs/dbraw/zinc/07/90/76/1030079076.db2.gz VPBMFCKTSZTXIL-MNOVXSKESA-N -1 1 303.324 3.903 20 0 DHADMM CC[C@H](C)CO[N-]C(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000794876488 1030079467 /nfs/dbraw/zinc/07/94/67/1030079467.db2.gz VPBMFCKTSZTXIL-WDEREUQCSA-N -1 1 303.324 3.903 20 0 DHADMM C[C@@H]([N-]C(=O)C(C)(F)F)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000866088161 1030124864 /nfs/dbraw/zinc/12/48/64/1030124864.db2.gz RZLXYOFDXFXBNL-RXMQYKEDSA-N -1 1 322.142 3.702 20 0 DHADMM CCSc1ccc(Cl)cc1NC(=O)c1ccc([O-])cn1 ZINC001136718094 1030270192 /nfs/dbraw/zinc/27/01/92/1030270192.db2.gz JYXYFWIPHADAPD-UHFFFAOYSA-N -1 1 308.790 3.805 20 0 DHADMM C[C@]1(c2ccccc2)CCCN(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001136735207 1030312679 /nfs/dbraw/zinc/31/26/79/1030312679.db2.gz QMPNDIMEZHSPSI-IBGZPJMESA-N -1 1 313.372 3.725 20 0 DHADMM C[C@@]1(c2ccccc2)CCCN(C(=O)c2ccc(F)c([O-])c2)C1 ZINC001136735208 1030313367 /nfs/dbraw/zinc/31/33/67/1030313367.db2.gz QMPNDIMEZHSPSI-LJQANCHMSA-N -1 1 313.372 3.725 20 0 DHADMM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1ccc(F)c([O-])c1 ZINC001136827799 1030479549 /nfs/dbraw/zinc/47/95/49/1030479549.db2.gz JINZYXUXRFIHDP-RISCZKNCSA-N -1 1 317.335 3.689 20 0 DHADMM O=C(c1ccc([O-])cc1)C1CCN(C/C(Cl)=C/Cl)CC1 ZINC000122071435 1030555078 /nfs/dbraw/zinc/55/50/78/1030555078.db2.gz JAZUMKWLFKLYEA-LCYFTJDESA-N -1 1 314.212 3.606 20 0 DHADMM CCC[C@H](C)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC000825010881 1030685554 /nfs/dbraw/zinc/68/55/54/1030685554.db2.gz AMSSKZDAVYCUAO-NSHDSACASA-N -1 1 302.340 3.774 20 0 DHADMM Cc1ccc(O[C@H](C)CNC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC001137011167 1030761105 /nfs/dbraw/zinc/76/11/05/1030761105.db2.gz NJFPPTKMGFQXOM-GFCCVEGCSA-N -1 1 319.788 3.551 20 0 DHADMM COc1cc(C(=O)N2CC3(CCC3)[C@@H]2C(C)C)cc(Cl)c1[O-] ZINC000359184207 1030829415 /nfs/dbraw/zinc/82/94/15/1030829415.db2.gz VKHSUDZXYVFQQE-HNNXBMFYSA-N -1 1 323.820 3.705 20 0 DHADMM CCc1nc(C(C)C)ccc1CSc1nc(C(=O)OC)c[n-]1 ZINC000292762383 1031160442 /nfs/dbraw/zinc/16/04/42/1031160442.db2.gz WSIASZMUOGMAPE-UHFFFAOYSA-N -1 1 319.430 3.569 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2)cc1CC ZINC000533785077 1031287785 /nfs/dbraw/zinc/28/77/85/1031287785.db2.gz ILWMIVMCCPQODW-UHFFFAOYSA-N -1 1 319.426 3.626 20 0 DHADMM CCOc1cc(C(=O)NC(C)(C)/C=C\Cl)cc(Cl)c1[O-] ZINC000928938942 1031409677 /nfs/dbraw/zinc/40/96/77/1031409677.db2.gz WYXNLFWJBADXKP-WAYWQWQTSA-N -1 1 318.200 3.705 20 0 DHADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(COC)cc1 ZINC000537037288 1031493398 /nfs/dbraw/zinc/49/33/98/1031493398.db2.gz ZANQEWHSJUNBJO-UHFFFAOYSA-N -1 1 319.426 3.505 20 0 DHADMM CC1(C)CN(C(=O)c2cc(Cl)ccc2[O-])[C@@H]1c1cccnc1 ZINC000293646141 1031556189 /nfs/dbraw/zinc/55/61/89/1031556189.db2.gz DSLIIPQYNMKGEI-OAHLLOKOSA-N -1 1 316.788 3.664 20 0 DHADMM C[C@H](NC(=O)c1cncc([O-])c1)c1ccc(F)c2ccccc21 ZINC000360797882 1031566037 /nfs/dbraw/zinc/56/60/37/1031566037.db2.gz BRPJZAOLQSVWFE-NSHDSACASA-N -1 1 310.328 3.571 20 0 DHADMM COc1ccc(C2CC2)c([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000872413751 1031603807 /nfs/dbraw/zinc/60/38/07/1031603807.db2.gz UUHUQRLTTIIGSA-UHFFFAOYSA-N -1 1 317.410 3.682 20 0 DHADMM CC(C)[C@H](C)N(C)C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC000929907274 1031643211 /nfs/dbraw/zinc/64/32/11/1031643211.db2.gz JLOXAIGBMZSXKG-LBPRGKRZSA-N -1 1 315.369 3.581 20 0 DHADMM [O-]c1cc(F)c(CN2CCSC[C@@H]2c2ccccc2)c(F)c1 ZINC001144555152 1031703108 /nfs/dbraw/zinc/70/31/08/1031703108.db2.gz XLNSHOXEYWTXHF-QGZVFWFLSA-N -1 1 321.392 3.961 20 0 DHADMM [O-]c1cc(F)c(CN2CCC(Oc3ccccc3)CC2)cc1F ZINC001144646553 1031787076 /nfs/dbraw/zinc/78/70/76/1031787076.db2.gz BECSXSMPLMTSSJ-UHFFFAOYSA-N -1 1 319.351 3.714 20 0 DHADMM [O-]c1cc(F)c(CN2Cc3ccccc3C(F)(F)C2)cc1F ZINC001144647132 1031787812 /nfs/dbraw/zinc/78/78/12/1031787812.db2.gz ZXECUSSBQMLHBM-UHFFFAOYSA-N -1 1 311.278 3.778 20 0 DHADMM Cc1ccccc1O[C@H]1CCN(Cc2cc(F)c([O-])cc2F)C1 ZINC001144657679 1031794461 /nfs/dbraw/zinc/79/44/61/1031794461.db2.gz DEBVVJXXTADWNR-AWEZNQCLSA-N -1 1 319.351 3.632 20 0 DHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000897908261 1031877114 /nfs/dbraw/zinc/87/71/14/1031877114.db2.gz FCRZKESRTBSVMN-QZTJIDSGSA-N -1 1 323.392 3.512 20 0 DHADMM CC(C)CN(C(=O)c1ccc2ccc(O)cc2c1[O-])C(C)C ZINC000897948634 1031895001 /nfs/dbraw/zinc/89/50/01/1031895001.db2.gz LFKSFMLBJRMNMA-UHFFFAOYSA-N -1 1 301.386 3.758 20 0 DHADMM O=C(C[C@@H]1C[C@H]1Cc1ccccc1)Nc1cc(F)cc(F)c1[O-] ZINC001142545697 1031995443 /nfs/dbraw/zinc/99/54/43/1031995443.db2.gz HHQUGWDLJIYTSJ-OLZOCXBDSA-N -1 1 317.335 3.878 20 0 DHADMM O=C(NCCC[C@@H]1CC1(Cl)Cl)c1c([O-])cccc1Cl ZINC000846588231 1032018489 /nfs/dbraw/zinc/01/84/89/1032018489.db2.gz QDLJNJKWZLEXOX-MRVPVSSYSA-N -1 1 322.619 3.749 20 0 DHADMM CC(C)(C)c1ccc(CS(=O)(=O)c2ccc([O-])cc2)cc1 ZINC000063927618 1032031040 /nfs/dbraw/zinc/03/10/40/1032031040.db2.gz JEEKSIXEOQVBAP-UHFFFAOYSA-N -1 1 304.411 3.664 20 0 DHADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(F)c2F)c1Cl ZINC000539397825 1033343916 /nfs/dbraw/zinc/34/39/16/1033343916.db2.gz OMWNBXORKSYRPI-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM C[N@@H+](Cc1nnc(-c2ccccc2O)o1)[C@@H]1CCc2ccccc21 ZINC000877950488 1033526475 /nfs/dbraw/zinc/52/64/75/1033526475.db2.gz AJSKFAUTHXSORL-MRXNPFEDSA-N -1 1 321.380 3.562 20 0 DHADMM O=C(Nc1ccc(Cl)c(F)c1)c1c(F)ccc([O-])c1F ZINC000553214173 1033626148 /nfs/dbraw/zinc/62/61/48/1033626148.db2.gz FVELLKGSAYZRIZ-UHFFFAOYSA-N -1 1 301.651 3.715 20 0 DHADMM [O-]c1cnccc1-c1nc(-c2cccc3c(Cl)ccnc23)no1 ZINC001212721162 1033693917 /nfs/dbraw/zinc/69/39/17/1033693917.db2.gz AXBOIQREWQZPEZ-UHFFFAOYSA-N -1 1 324.727 3.706 20 0 DHADMM Cc1ccc(-c2noc(-c3ccncc3[O-])n2)cc1C(F)(F)F ZINC001212721362 1033697879 /nfs/dbraw/zinc/69/78/79/1033697879.db2.gz MERIUUPUEMJPTN-UHFFFAOYSA-N -1 1 321.258 3.831 20 0 DHADMM Cc1nocc1Nc1c(Cl)ccc(Br)c1[O-] ZINC001212726449 1033722250 /nfs/dbraw/zinc/72/22/50/1033722250.db2.gz XOKDJUWLKZYDEI-UHFFFAOYSA-N -1 1 303.543 3.848 20 0 DHADMM CC(C)NC(=O)c1cccc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001174187350 1034204432 /nfs/dbraw/zinc/20/44/32/1034204432.db2.gz SRNCNSDNSHOEJY-UHFFFAOYSA-N -1 1 306.312 3.552 20 0 DHADMM Cn1nc(C(F)(F)F)cc1Nc1cc([O-])c(Cl)cc1F ZINC001174326643 1034290649 /nfs/dbraw/zinc/29/06/49/1034290649.db2.gz YMKHSMNNKKOPOT-UHFFFAOYSA-N -1 1 309.650 3.681 20 0 DHADMM CC(C)=CC[C@@H](NCc1ccc(-c2ccccc2F)o1)C(=O)[O-] ZINC000864528001 1034377004 /nfs/dbraw/zinc/37/70/04/1034377004.db2.gz JJEHHZGYFJAACM-MRXNPFEDSA-N -1 1 317.360 3.985 20 0 DHADMM [O-]c1cc(F)cc(F)c1Nc1ccc(N2CCCCC2)nc1 ZINC001174525195 1034483747 /nfs/dbraw/zinc/48/37/47/1034483747.db2.gz ZGCSAEBOVBMUHI-UHFFFAOYSA-N -1 1 305.328 3.799 20 0 DHADMM CCn1cc(Nc2c(Cl)ccc(Br)c2[O-])cn1 ZINC001174573883 1034485615 /nfs/dbraw/zinc/48/56/15/1034485615.db2.gz OWHJVVXYRAEDIS-UHFFFAOYSA-N -1 1 316.586 3.768 20 0 DHADMM CC(C)Oc1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cn1 ZINC001174769389 1034598232 /nfs/dbraw/zinc/59/82/32/1034598232.db2.gz HQBACGNNPKTWCM-UHFFFAOYSA-N -1 1 310.357 3.504 20 0 DHADMM CCc1[n-]n(-c2ccc(Cl)c(Br)c2)c(=O)c1F ZINC000899363385 1034600382 /nfs/dbraw/zinc/60/03/82/1034600382.db2.gz LVFGRFKEXPCFDP-JTQLQIEISA-N -1 1 319.561 3.553 20 0 DHADMM Cc1nc(SCc2ccc(Cl)nc2)[n-]c(=O)c1C1CC1 ZINC000865373046 1034614180 /nfs/dbraw/zinc/61/41/80/1034614180.db2.gz DCNWNSGQMQKGJP-UHFFFAOYSA-N -1 1 307.806 3.709 20 0 DHADMM Cc1cc(Nc2c(Cl)ccc(Br)c2[O-])n(C)n1 ZINC001174831741 1034626582 /nfs/dbraw/zinc/62/65/82/1034626582.db2.gz YUTITGHAHTXMHB-UHFFFAOYSA-N -1 1 316.586 3.594 20 0 DHADMM CC[C@@H](C)Oc1ccc(-c2nc3ccc(OC)cc3c(=O)[n-]2)cc1 ZINC000481196674 1034652762 /nfs/dbraw/zinc/65/27/62/1034652762.db2.gz KAUCKRYOQRXSPQ-GFCCVEGCSA-N -1 1 324.380 3.776 20 0 DHADMM CC(C)(C)OCc1ccc(-n2[n-]c(=O)c3cc(N)ccc32)cc1 ZINC001174911478 1034675525 /nfs/dbraw/zinc/67/55/25/1034675525.db2.gz GGUOHOIFXKYHQP-UHFFFAOYSA-N -1 1 311.385 3.628 20 0 DHADMM CCCCc1ccc(Nc2cc(S(C)(=O)=O)ccc2[O-])cc1 ZINC001175032395 1034762948 /nfs/dbraw/zinc/76/29/48/1034762948.db2.gz WNTGWDVXKZWZDH-UHFFFAOYSA-N -1 1 319.426 3.882 20 0 DHADMM O=C(NCc1cccc2ccccc21)c1c(F)ccc([O-])c1F ZINC000555560014 1034809843 /nfs/dbraw/zinc/80/98/43/1034809843.db2.gz QGFWXMQMTIWIPP-UHFFFAOYSA-N -1 1 313.303 3.754 20 0 DHADMM CCCCCOc1ccc(-n2[n-]c(=O)c3ccc(N)cc32)cc1 ZINC001175296531 1034905485 /nfs/dbraw/zinc/90/54/85/1034905485.db2.gz IXLJVCSFIVPOFT-UHFFFAOYSA-N -1 1 311.385 3.882 20 0 DHADMM CCCCc1ccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1 ZINC000899921655 1034971768 /nfs/dbraw/zinc/97/17/68/1034971768.db2.gz DTAILCZSQGMHDD-UHFFFAOYSA-N -1 1 311.385 3.655 20 0 DHADMM [O-]c1ccc(Cl)c(Nc2ccc(-c3nn[nH]n3)cc2)c1Cl ZINC001175430889 1034980194 /nfs/dbraw/zinc/98/01/94/1034980194.db2.gz ZRCHYTXJFOBOGD-UHFFFAOYSA-N -1 1 322.155 3.623 20 0 DHADMM CSc1ncc(Nc2ccc(Cl)c(Cl)c2[O-])cn1 ZINC001175652787 1035061540 /nfs/dbraw/zinc/06/15/40/1035061540.db2.gz ZNMXDLMNGMVOTM-UHFFFAOYSA-N -1 1 302.186 3.955 20 0 DHADMM O=C(N[C@@H]1c2ccccc2CC[C@@H]1F)c1cc(Cl)ccc1[O-] ZINC001175764139 1035113245 /nfs/dbraw/zinc/11/32/45/1035113245.db2.gz QJRWKRCVOWZNBE-GOEBONIOSA-N -1 1 319.763 3.801 20 0 DHADMM O=C(N[C@H]1c2ccccc2CC[C@@H]1F)c1cc(Cl)ccc1[O-] ZINC001175764140 1035113347 /nfs/dbraw/zinc/11/33/47/1035113347.db2.gz QJRWKRCVOWZNBE-HOCLYGCPSA-N -1 1 319.763 3.801 20 0 DHADMM COc1cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)ccc1Cl ZINC001175773966 1035118294 /nfs/dbraw/zinc/11/82/94/1035118294.db2.gz OVGZDNBZETVYAZ-UHFFFAOYSA-N -1 1 315.760 3.984 20 0 DHADMM Cn1ccc2c1cccc2Nc1cc2ccc([O-])cc2oc1=O ZINC001175866563 1035147414 /nfs/dbraw/zinc/14/74/14/1035147414.db2.gz JNUBKDVYGOAOHF-UHFFFAOYSA-N -1 1 306.321 3.734 20 0 DHADMM CCOC(=O)c1c([N-]c2cscn2)sc2c1CCCC2=O ZINC001175938101 1035152932 /nfs/dbraw/zinc/15/29/32/1035152932.db2.gz QRBGMEUZNUMBAK-UHFFFAOYSA-N -1 1 322.411 3.644 20 0 DHADMM Cc1nnc(-c2cccc(Nc3ccc(F)c(F)c3[O-])c2)o1 ZINC001175995852 1035168867 /nfs/dbraw/zinc/16/88/67/1035168867.db2.gz IEQDYKSPCPJZBV-UHFFFAOYSA-N -1 1 303.268 3.772 20 0 DHADMM Cc1cc([C@H](C)N(C)Cc2ccc(F)cc2C)oc1C(=O)[O-] ZINC000568068605 1035179086 /nfs/dbraw/zinc/17/90/86/1035179086.db2.gz MTFNQOGFEFVYDE-LBPRGKRZSA-N -1 1 305.349 3.927 20 0 DHADMM CSc1nc(Nc2ccc(-c3ccccn3)cc2)cc(=O)[n-]1 ZINC001176037567 1035189185 /nfs/dbraw/zinc/18/91/85/1035189185.db2.gz UNJPUNPTZKYXEB-UHFFFAOYSA-N -1 1 310.382 3.710 20 0 DHADMM CC(C)(C)c1csc(COC(=O)c2ccc([O-])cc2F)n1 ZINC000773572688 1035261356 /nfs/dbraw/zinc/26/13/56/1035261356.db2.gz LBTYYDLITMPPBE-UHFFFAOYSA-N -1 1 309.362 3.642 20 0 DHADMM Cc1cccc2ncc(Nc3ccc(C4(C(=O)[O-])CC4)cc3)n21 ZINC001176586675 1035289911 /nfs/dbraw/zinc/28/99/11/1035289911.db2.gz KLSCGYWEOZMDSL-UHFFFAOYSA-N -1 1 307.353 3.503 20 0 DHADMM CC(C)c1nc2ccc(Nc3c(F)cc(F)c([O-])c3F)cn2n1 ZINC001176670152 1035310655 /nfs/dbraw/zinc/31/06/55/1035310655.db2.gz TVJJLCVXCOLLFR-UHFFFAOYSA-N -1 1 322.290 3.719 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ccc(Cl)c(CO)c2)c1F ZINC001176671246 1035310769 /nfs/dbraw/zinc/31/07/69/1035310769.db2.gz VKZYHPCBUIZJBK-UHFFFAOYSA-N -1 1 303.667 3.699 20 0 DHADMM Cc1nn(C)c2ccc(Nc3c(F)cc(F)c([O-])c3F)cc12 ZINC001176672396 1035311267 /nfs/dbraw/zinc/31/12/67/1035311267.db2.gz JCTFDGWTJIHAMR-UHFFFAOYSA-N -1 1 307.275 3.748 20 0 DHADMM Cc1c2ccc(Nc3c(F)cc(F)c([O-])c3F)cc2nn1C ZINC001176672462 1035312189 /nfs/dbraw/zinc/31/21/89/1035312189.db2.gz WSMLUXVSVBRUJQ-UHFFFAOYSA-N -1 1 307.275 3.748 20 0 DHADMM O=C(NCCC[C@H]1C=CCC1)c1ccc2ccc(O)cc2c1[O-] ZINC001176910074 1035339125 /nfs/dbraw/zinc/33/91/25/1035339125.db2.gz HTWZLRLCLPDORX-ZDUSSCGKSA-N -1 1 311.381 3.727 20 0 DHADMM Cc1cnc(Cl)c(CN[C@H](C(=O)[O-])c2cccc(C)c2C)c1 ZINC000904006449 1035343462 /nfs/dbraw/zinc/34/34/62/1035343462.db2.gz WPBZURJACTWBLI-HNNXBMFYSA-N -1 1 318.804 3.576 20 0 DHADMM CCc1ncc(CN[C@@H](CC(=O)[O-])c2ccccc2Cl)s1 ZINC000904033260 1035347385 /nfs/dbraw/zinc/34/73/85/1035347385.db2.gz RJSYSZGRHYMZPH-ZDUSSCGKSA-N -1 1 324.833 3.665 20 0 DHADMM COc1cccc2cc(CN[C@H](CCCC(C)C)C(=O)[O-])oc21 ZINC000904037910 1035349239 /nfs/dbraw/zinc/34/92/39/1035349239.db2.gz CVTIGIXGBZQCML-OAHLLOKOSA-N -1 1 319.401 3.811 20 0 DHADMM O=C(N[C@@H]1CCC[C@H](c2ccccc2)CC1)c1ccc([O-])cn1 ZINC001179334538 1035475257 /nfs/dbraw/zinc/47/52/57/1035475257.db2.gz CXKCLHRQIZMMOX-JKSUJKDBSA-N -1 1 310.397 3.634 20 0 DHADMM CC1(C)C[C@H](c2ccccc2)CN1C(=O)c1ccc([O-])c(F)c1 ZINC001179527101 1035480212 /nfs/dbraw/zinc/48/02/12/1035480212.db2.gz OXGTUGHLFAHSBW-HNNXBMFYSA-N -1 1 313.372 3.940 20 0 DHADMM Cc1nc(C(C)C)ccc1CN[C@@H](C(=O)[O-])c1ccccc1F ZINC000905377540 1035512846 /nfs/dbraw/zinc/51/28/46/1035512846.db2.gz VVGCRUKGJTYINM-QGZVFWFLSA-N -1 1 316.376 3.568 20 0 DHADMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@@H]1CCCc2ccccc21 ZINC001179858010 1035515956 /nfs/dbraw/zinc/51/59/56/1035515956.db2.gz JACPWZSWIJUCND-MRXNPFEDSA-N -1 1 315.800 3.782 20 0 DHADMM C[C@@H](CCc1ccccc1)NC(=O)c1ccc(Cl)cc1[O-] ZINC000070134693 1035572370 /nfs/dbraw/zinc/57/23/70/1035572370.db2.gz NCBQRRQRTCTZIR-LBPRGKRZSA-N -1 1 303.789 3.797 20 0 DHADMM C[C@@H](NC(=O)Nc1cc([O-])c(F)cc1F)c1ccc(F)cc1 ZINC001193143041 1035574337 /nfs/dbraw/zinc/57/43/37/1035574337.db2.gz NKKGNOHKIJGWHG-MRVPVSSYSA-N -1 1 310.275 3.692 20 0 DHADMM CC[C@H]1c2ccccc2CN1C(=O)c1cc(C)cc(C=O)c1[O-] ZINC001180139333 1035595810 /nfs/dbraw/zinc/59/58/10/1035595810.db2.gz AMDQEQZSQSSVMN-KRWDZBQOSA-N -1 1 309.365 3.620 20 0 DHADMM [O-]c1cc(Nc2cncc(C(F)(F)F)c2)c(F)c(F)c1F ZINC001249959160 1035607079 /nfs/dbraw/zinc/60/70/79/1035607079.db2.gz SNNVAFQZJDISGO-UHFFFAOYSA-N -1 1 308.181 3.967 20 0 DHADMM CCCCOc1ccc(OC)cc1NC(=O)c1ccccc1[O-] ZINC000195563518 1035612880 /nfs/dbraw/zinc/61/28/80/1035612880.db2.gz QXIHZPDQEFPHHY-UHFFFAOYSA-N -1 1 315.369 3.832 20 0 DHADMM C[N@@H+](CC(=O)Nc1c(Cl)ccc(O)c1Cl)C1CCCC1 ZINC001180629733 1035731581 /nfs/dbraw/zinc/73/15/81/1035731581.db2.gz XFEAWHUSWPXIRF-UHFFFAOYSA-N -1 1 317.216 3.512 20 0 DHADMM Cc1nc(SCc2ccc(OC(F)F)cc2)[n-]c(=O)c1C ZINC000539616401 1035797959 /nfs/dbraw/zinc/79/79/59/1035797959.db2.gz JACOIDJQQSQKSW-UHFFFAOYSA-N -1 1 312.341 3.693 20 0 DHADMM O=C(Nc1ccc([O-])c(Br)c1)Oc1ccccc1 ZINC001194247962 1035889777 /nfs/dbraw/zinc/88/97/77/1035889777.db2.gz UJXGYSYACJEBTH-UHFFFAOYSA-N -1 1 308.131 3.766 20 0 DHADMM CCOC(=O)c1c(C)[n-]sc1=NC(=O)Oc1ccc(C)cc1 ZINC001194425717 1035928375 /nfs/dbraw/zinc/92/83/75/1035928375.db2.gz HEOXJXMRJBPDBD-UHFFFAOYSA-N -1 1 320.370 3.548 20 0 DHADMM Cc1ccn(-c2ccc(NCc3ccc([O-])c(F)c3F)cc2)n1 ZINC001181689297 1035955407 /nfs/dbraw/zinc/95/54/07/1035955407.db2.gz XKNDEXQWCAOEEL-UHFFFAOYSA-N -1 1 315.323 3.777 20 0 DHADMM C[C@@]12CCN(Cc3ccc([O-])c(F)c3F)C[C@@H]1C2(Cl)Cl ZINC001181729930 1035972045 /nfs/dbraw/zinc/97/20/45/1035972045.db2.gz QFKDAKSQCWOCLL-GXFFZTMASA-N -1 1 322.182 3.686 20 0 DHADMM Cc1nc2cc([N-]S(=O)(=O)c3c(C)cccc3C)ccc2o1 ZINC001194634711 1035973658 /nfs/dbraw/zinc/97/36/58/1035973658.db2.gz YGBQMDJNQJKWRI-UHFFFAOYSA-N -1 1 316.382 3.554 20 0 DHADMM CCC(CC)COC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001194712887 1036008298 /nfs/dbraw/zinc/00/82/98/1036008298.db2.gz GVLUDQKPIJJNFW-UHFFFAOYSA-N -1 1 303.362 3.563 20 0 DHADMM O=C(Nc1ccc(F)c2ccccc12)c1c[n-]c(C(F)(F)F)n1 ZINC001194783960 1036020876 /nfs/dbraw/zinc/02/08/76/1036020876.db2.gz XQETWDJETDWVFQ-UHFFFAOYSA-N -1 1 323.249 3.973 20 0 DHADMM CC[C@@H](C(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1)c1ccccc1 ZINC001182131584 1036104043 /nfs/dbraw/zinc/10/40/43/1036104043.db2.gz RNADPZHIWZPMFX-MRXNPFEDSA-N -1 1 321.380 3.710 20 0 DHADMM COC(=O)c1nc2cc(-c3ccc(F)c(F)c3Cl)ccc2[n-]1 ZINC001205682215 1036109140 /nfs/dbraw/zinc/10/91/40/1036109140.db2.gz QFYCFMATRAEMAC-UHFFFAOYSA-N -1 1 322.698 3.948 20 0 DHADMM COC(=O)c1nc2ccc(-c3ccc(F)c(F)c3Cl)cc2[n-]1 ZINC001205682215 1036109145 /nfs/dbraw/zinc/10/91/45/1036109145.db2.gz QFYCFMATRAEMAC-UHFFFAOYSA-N -1 1 322.698 3.948 20 0 DHADMM CCCCN(Cc1ccccc1)C(=O)c1cc([O-])cnc1Cl ZINC001195305214 1036216520 /nfs/dbraw/zinc/21/65/20/1036216520.db2.gz GTOABGCSTXYBKQ-UHFFFAOYSA-N -1 1 318.804 3.883 20 0 DHADMM O=C(Nc1cccc2cc(O)ccc21)c1cc([O-])cnc1Cl ZINC001195306248 1036216740 /nfs/dbraw/zinc/21/67/40/1036216740.db2.gz QPZAFUPGIHDCTG-UHFFFAOYSA-N -1 1 314.728 3.552 20 0 DHADMM CC(C)(C)[C@H]1CC[C@@H](NC(=O)c2cc([O-])cnc2Cl)CC1 ZINC001195316070 1036220095 /nfs/dbraw/zinc/22/00/95/1036220095.db2.gz YIXOBQHLNHDDFB-PHIMTYICSA-N -1 1 310.825 3.775 20 0 DHADMM CC(C)C[C@@H](NC(=O)c1cc([O-])cnc1Cl)c1ccccc1 ZINC001195313341 1036220632 /nfs/dbraw/zinc/22/06/32/1036220632.db2.gz YPMGHUBGOMOJIO-OAHLLOKOSA-N -1 1 318.804 3.958 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1cc(C2CCCCC2)ccc1O ZINC001195493828 1036270467 /nfs/dbraw/zinc/27/04/67/1036270467.db2.gz DGGYMNRGUDLKGE-UHFFFAOYSA-N -1 1 322.430 3.883 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1noc2c1CCc1ccccc1-2 ZINC001183055025 1036512450 /nfs/dbraw/zinc/51/24/50/1036512450.db2.gz ZUKOFZISSJMBJP-UHFFFAOYSA-N -1 1 324.311 3.537 20 0 DHADMM CCc1ccc(C(=O)Nc2nc3c(cccc3Cl)[nH]2)c([O-])c1 ZINC001183432198 1036593130 /nfs/dbraw/zinc/59/31/30/1036593130.db2.gz HYSXXFGNWQKYPM-UHFFFAOYSA-N -1 1 315.760 3.737 20 0 DHADMM C[C@@H]1CN(Cc2cccc([O-])c2Cl)C[C@H](CC(F)(F)F)O1 ZINC000668769780 1036614980 /nfs/dbraw/zinc/61/49/80/1036614980.db2.gz ZGZHQGHIVVCRCF-KOLCDFICSA-N -1 1 323.742 3.587 20 0 DHADMM Cc1c(NC(=O)c2cc3ccccc3cc2[O-])n[nH]c1C(C)C ZINC001183763995 1036664858 /nfs/dbraw/zinc/66/48/58/1036664858.db2.gz YSQCTXLCYALXHQ-UHFFFAOYSA-N -1 1 309.369 3.953 20 0 DHADMM O=C([O-])c1ccc(NC(=S)Nc2cccc(Cl)c2O)cc1 ZINC001197112740 1036691352 /nfs/dbraw/zinc/69/13/52/1036691352.db2.gz IHVWXODTVSOTGU-UHFFFAOYSA-N -1 1 322.773 3.553 20 0 DHADMM CCCN(CC)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000491967025 1036699378 /nfs/dbraw/zinc/69/93/78/1036699378.db2.gz FAERTKZLAJDPTR-UHFFFAOYSA-N -1 1 322.405 3.611 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)C12CC3CC(CC(C3)C1)C2 ZINC000909975390 1036727097 /nfs/dbraw/zinc/72/70/97/1036727097.db2.gz PRURBNWGOJWFND-UHFFFAOYSA-N -1 1 307.340 3.825 20 0 DHADMM CCC(CC)n1nc(C(=O)Nc2cc([O-])c(F)cc2F)cc1C ZINC000909985664 1036729596 /nfs/dbraw/zinc/72/95/96/1036729596.db2.gz OBSGMBCMCKQOIL-UHFFFAOYSA-N -1 1 323.343 3.789 20 0 DHADMM CC(C)(C)c1ncsc1C(=O)Nc1cc([O-])c(F)cc1F ZINC000909982544 1036735767 /nfs/dbraw/zinc/73/57/67/1036735767.db2.gz JOSCHQWQBVWKJZ-UHFFFAOYSA-N -1 1 312.341 3.677 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)C1CCc2ccccc2CC1 ZINC000909988868 1036742120 /nfs/dbraw/zinc/74/21/20/1036742120.db2.gz FYCNPFYWUVFSOF-UHFFFAOYSA-N -1 1 317.335 3.804 20 0 DHADMM CCC1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC000669946096 1036797815 /nfs/dbraw/zinc/79/78/15/1036797815.db2.gz GFROWAZQNQZNAZ-UHFFFAOYSA-N -1 1 318.804 3.856 20 0 DHADMM CCS[C@H]1CC[C@@H](N(C)C(=O)c2c([O-])cccc2Cl)C1 ZINC000762568814 1036843920 /nfs/dbraw/zinc/84/39/20/1036843920.db2.gz JSMWKQRUEDLUNN-MNOVXSKESA-N -1 1 313.850 3.792 20 0 DHADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc2ccn(C)c2c1 ZINC000488276454 1036947724 /nfs/dbraw/zinc/94/77/24/1036947724.db2.gz DPEUCBDQSCQKHS-UHFFFAOYSA-N -1 1 314.410 3.542 20 0 DHADMM COc1ccccc1C/C(C)=C\C(=O)Nc1c([O-])cccc1F ZINC000762803663 1036950326 /nfs/dbraw/zinc/95/03/26/1036950326.db2.gz DJVRCURVIKDVAZ-QXMHVHEDSA-N -1 1 315.344 3.667 20 0 DHADMM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)nc2)cc1 ZINC001198314941 1036996011 /nfs/dbraw/zinc/99/60/11/1036996011.db2.gz MFVOLRACAYECOS-UHFFFAOYSA-N -1 1 304.415 3.533 20 0 DHADMM O=C(Nc1ccc(F)c(F)c1)Nc1cc(F)c(F)cc1[O-] ZINC001185097637 1037025103 /nfs/dbraw/zinc/02/51/03/1037025103.db2.gz IIEPXFQSDWVYJS-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM Cc1sc(Cl)nc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000762899050 1037053200 /nfs/dbraw/zinc/05/32/00/1037053200.db2.gz LNIYRHUMTUHJND-UHFFFAOYSA-N -1 1 303.170 3.716 20 0 DHADMM C[C@H](Cc1cccs1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000316110826 1037070610 /nfs/dbraw/zinc/07/06/10/1037070610.db2.gz OIHUPLUNAWJIMW-GFCCVEGCSA-N -1 1 311.406 3.968 20 0 DHADMM COc1cc([N-]S(=O)(=O)c2ccc3occc3c2)ccc1C ZINC001198861768 1037147761 /nfs/dbraw/zinc/14/77/61/1037147761.db2.gz KTECFENJSLYTNY-UHFFFAOYSA-N -1 1 317.366 3.551 20 0 DHADMM COc1cc(C(=O)N(C)c2ccc(C)cc2)cc(Cl)c1[O-] ZINC000153719065 1037174483 /nfs/dbraw/zinc/17/44/83/1037174483.db2.gz OLCJJGKOFHMXFX-UHFFFAOYSA-N -1 1 305.761 3.639 20 0 DHADMM CCc1nnc(C(=O)[N-]c2ccc(Cl)cc2SC)s1 ZINC000912290994 1037338968 /nfs/dbraw/zinc/33/89/68/1037338968.db2.gz STEPKOLHAMNEDN-UHFFFAOYSA-N -1 1 313.835 3.728 20 0 DHADMM CC(C)[C@@H]1CN(Cc2cccc(C(=O)[O-])c2Cl)CCS1 ZINC000570403091 1037342454 /nfs/dbraw/zinc/34/24/54/1037342454.db2.gz IZECTFPEPDOQPI-ZDUSSCGKSA-N -1 1 313.850 3.612 20 0 DHADMM O=C(Nc1cc(F)c([O-])c(F)c1)N[C@@H]1CCCc2ccccc21 ZINC001186456968 1037419559 /nfs/dbraw/zinc/41/95/59/1037419559.db2.gz AVVDYXNRFMUBRM-OAHLLOKOSA-N -1 1 318.323 3.870 20 0 DHADMM O=S(=O)([N-]c1cccc(Cl)c1F)c1ccc(F)cc1F ZINC000007387660 1037493498 /nfs/dbraw/zinc/49/34/98/1037493498.db2.gz YGPJIASQIHQCAZ-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM O=C(CSc1nc(-c2ccccc2)c[nH]1)c1ccc([O-])cc1 ZINC000026128705 1037494913 /nfs/dbraw/zinc/49/49/13/1037494913.db2.gz VHCWYKGKVLKGQL-UHFFFAOYSA-N -1 1 310.378 3.757 20 0 DHADMM O=C(Nc1cccc(CCCO)c1)c1cc2ccccc2cc1[O-] ZINC000326277591 1037510087 /nfs/dbraw/zinc/51/00/87/1037510087.db2.gz LNGLJHFXBCSSQP-UHFFFAOYSA-N -1 1 321.376 3.723 20 0 DHADMM Cc1nc2ccc(NC(=O)c3ccc([O-])cc3F)cc2s1 ZINC000161573027 1037579230 /nfs/dbraw/zinc/57/92/30/1037579230.db2.gz SDDXUOLCKQYAIS-UHFFFAOYSA-N -1 1 302.330 3.702 20 0 DHADMM O=c1[n-]cncc1Nc1ccc(C(F)(F)F)cc1C(F)(F)F ZINC001201350536 1037623246 /nfs/dbraw/zinc/62/32/46/1037623246.db2.gz JHJKPYXPKIWEFI-UHFFFAOYSA-N -1 1 323.196 3.963 20 0 DHADMM CC[C@@H](O)[C@H](C)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000912858411 1037630585 /nfs/dbraw/zinc/63/05/85/1037630585.db2.gz ODXISCRVGIZJMJ-LKFCYVNXSA-N -1 1 307.777 3.544 20 0 DHADMM CCCCC[C@@H]([N-]S(=O)(=O)c1cnoc1C)c1ccccc1 ZINC001187420371 1037631706 /nfs/dbraw/zinc/63/17/06/1037631706.db2.gz BXABGQZSGOGSQE-OAHLLOKOSA-N -1 1 322.430 3.583 20 0 DHADMM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1ccc(O)c(Cl)c1 ZINC000163628940 1037650453 /nfs/dbraw/zinc/65/04/53/1037650453.db2.gz KUPGKEIFKJZTIT-UHFFFAOYSA-N -1 1 320.757 3.728 20 0 DHADMM CC[C@H](C)c1ccc(NC(=O)c2n[n-]nc2C(F)(F)F)cc1 ZINC001187757031 1037722395 /nfs/dbraw/zinc/72/23/95/1037722395.db2.gz PEBNVTCAHOYZDK-QMMMGPOBSA-N -1 1 312.295 3.589 20 0 DHADMM CSc1cccc(NC(=O)Nc2cc(Cl)ncc2[O-])c1 ZINC001188023955 1037791532 /nfs/dbraw/zinc/79/15/32/1037791532.db2.gz OSLMRBDHQYVTOQ-UHFFFAOYSA-N -1 1 309.778 3.807 20 0 DHADMM C[C@H](c1ccco1)N(C)C(=O)c1cc(Br)ccc1[O-] ZINC000123961898 1037878311 /nfs/dbraw/zinc/87/83/11/1037878311.db2.gz HPJKTMYMGWVKSC-SECBINFHSA-N -1 1 324.174 3.581 20 0 DHADMM CN(C)c1ccccc1NC(=O)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188586477 1037937599 /nfs/dbraw/zinc/93/75/99/1037937599.db2.gz NCPMPJPSRQRAIN-UHFFFAOYSA-N -1 1 324.302 3.729 20 0 DHADMM O=C(Nc1ccc(F)c(O)c1)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188587055 1037938820 /nfs/dbraw/zinc/93/88/20/1037938820.db2.gz QTFDWVTZJCPQTB-UHFFFAOYSA-N -1 1 315.222 3.508 20 0 DHADMM CC1(C[N-]S(=O)(=O)c2ccc(C(F)F)o2)CCCCCC1 ZINC001188625268 1037949602 /nfs/dbraw/zinc/94/96/02/1037949602.db2.gz TXWXCHLXDQYING-UHFFFAOYSA-N -1 1 321.389 3.856 20 0 DHADMM O=C(Nc1cc(F)c([O-])c(F)c1)Nc1ccc(F)cc1F ZINC001202023329 1037972439 /nfs/dbraw/zinc/97/24/39/1037972439.db2.gz VVBBQTGEGHSVFF-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM COC(=O)c1c[n-]c(SCc2c(Cl)cccc2Cl)n1 ZINC000187594397 1037981127 /nfs/dbraw/zinc/98/11/27/1037981127.db2.gz JKOPTAXFHLPDFL-UHFFFAOYSA-N -1 1 317.197 3.795 20 0 DHADMM O=C(NCc1ccccc1Oc1ccccc1)c1ncccc1[O-] ZINC001626012074 1038008852 /nfs/dbraw/zinc/00/88/52/1038008852.db2.gz XBRMRFAFBFXVDO-UHFFFAOYSA-N -1 1 320.348 3.510 20 0 DHADMM CCc1cc(=O)[n-]c(SCc2cnc3ccc(C)cc3c2)n1 ZINC001189173983 1038093857 /nfs/dbraw/zinc/09/38/57/1038093857.db2.gz OGXRMAWUHILQFY-UHFFFAOYSA-N -1 1 311.410 3.894 20 0 DHADMM Cc1cnc(SCc2ccc(-c3ncco3)cc2F)[n-]c1=O ZINC001189399420 1038147762 /nfs/dbraw/zinc/14/77/62/1038147762.db2.gz OOWFDVJYNHJZIU-UHFFFAOYSA-N -1 1 317.345 3.577 20 0 DHADMM O=C([O-])c1ccoc1CN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000571888522 1038259332 /nfs/dbraw/zinc/25/93/32/1038259332.db2.gz PLUDVUPQAMJIJU-CQSZACIVSA-N -1 1 305.761 3.968 20 0 DHADMM CCc1ncc(CSc2nc(-c3ccccc3)cc(=O)[n-]2)o1 ZINC001190210665 1038281261 /nfs/dbraw/zinc/28/12/61/1038281261.db2.gz PKJIRGBHVCHKAP-UHFFFAOYSA-N -1 1 313.382 3.692 20 0 DHADMM O=C(Nc1cccc2nsnc21)Nc1ccc(Cl)cc1[O-] ZINC001190303698 1038290650 /nfs/dbraw/zinc/29/06/50/1038290650.db2.gz UKXRGLOVIVDZLQ-UHFFFAOYSA-N -1 1 320.761 3.694 20 0 DHADMM CC(C)=CCC[C@H](C)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC001190463885 1038323277 /nfs/dbraw/zinc/32/32/77/1038323277.db2.gz BXTNZURMHOBYON-JTQLQIEISA-N -1 1 321.364 3.517 20 0 DHADMM O=S(=O)([N-]c1cc(F)cc(F)c1)c1ccc(C2CC2)cc1 ZINC001190464046 1038324210 /nfs/dbraw/zinc/32/42/10/1038324210.db2.gz KAVZCEYTXOVYEH-UHFFFAOYSA-N -1 1 309.337 3.643 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1F ZINC001190464668 1038326455 /nfs/dbraw/zinc/32/64/55/1038326455.db2.gz RZXPJAWQXGKAIA-UHFFFAOYSA-N -1 1 305.374 3.812 20 0 DHADMM Cc1cnc(Cl)cc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190468945 1038327179 /nfs/dbraw/zinc/32/71/79/1038327179.db2.gz BZPPSTLVUYKUIM-UHFFFAOYSA-N -1 1 322.817 3.722 20 0 DHADMM COc1cc(C)cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1 ZINC001190500796 1038329818 /nfs/dbraw/zinc/32/98/18/1038329818.db2.gz ZFPROFQXLBTVAD-UHFFFAOYSA-N -1 1 317.410 3.682 20 0 DHADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc3c2ccn3C)c1 ZINC000588834281 1038382887 /nfs/dbraw/zinc/38/28/87/1038382887.db2.gz DYCVQHKVSTYGNF-UHFFFAOYSA-N -1 1 314.410 3.596 20 0 DHADMM COc1cc(C(=O)NCC(C)(C)CC2CC2)cc(Cl)c1[O-] ZINC001191158269 1038452042 /nfs/dbraw/zinc/45/20/42/1038452042.db2.gz OITPCFRGSWPMQN-UHFFFAOYSA-N -1 1 311.809 3.610 20 0 DHADMM O=C([O-])c1cccc(Cl)c1CN1CCC(C(F)(F)F)CC1 ZINC000572609151 1038476268 /nfs/dbraw/zinc/47/62/68/1038476268.db2.gz CUVWGGORDIAEPD-UHFFFAOYSA-N -1 1 321.726 3.813 20 0 DHADMM O=C(Nc1cc(Cl)cc(Cl)n1)c1c(F)ccc([O-])c1F ZINC001192524905 1038675804 /nfs/dbraw/zinc/67/58/04/1038675804.db2.gz PTPHNEUXYULCRY-UHFFFAOYSA-N -1 1 319.094 3.625 20 0 DHADMM CCC[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccccn1 ZINC000591460161 1038874527 /nfs/dbraw/zinc/87/45/27/1038874527.db2.gz HFRVEMBSKBRIMI-CQSZACIVSA-N -1 1 304.777 3.712 20 0 DHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)[C@@H]1CC2CCC1CC2 ZINC000573791034 1039081551 /nfs/dbraw/zinc/08/15/51/1039081551.db2.gz LGFFCVFVNHLXSU-KOHJWAIASA-N -1 1 311.385 3.547 20 0 DHADMM C[C@@H](O)c1ccc(CNC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000171131746 1039274812 /nfs/dbraw/zinc/27/48/12/1039274812.db2.gz BVLMIPRPTMPEGM-CYBMUJFWSA-N -1 1 321.376 3.529 20 0 DHADMM Cc1nc(C)c(CN2[C@@H](C(=O)[O-])CC[C@H]2c2ccccc2)s1 ZINC000574173503 1039428691 /nfs/dbraw/zinc/42/86/91/1039428691.db2.gz KYNLWXSOGJPBFR-LSDHHAIUSA-N -1 1 316.426 3.550 20 0 DHADMM CCCCCC(=O)OCc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC000058971776 1039666666 /nfs/dbraw/zinc/66/66/66/1039666666.db2.gz RVSVJPWSROBENR-UHFFFAOYSA-N -1 1 318.369 3.685 20 0 DHADMM C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1c([O-])cccc1F ZINC000605435860 1039680922 /nfs/dbraw/zinc/68/09/22/1039680922.db2.gz ISXKKRGEXDHRFE-SECBINFHSA-N -1 1 309.724 3.591 20 0 DHADMM Cc1cc2c(o1)CC(C)(C)C[C@@H]2[N-]C(=O)C(F)(F)C(F)F ZINC000226610441 1039730096 /nfs/dbraw/zinc/73/00/96/1039730096.db2.gz SLVZOYKAMBWDEQ-VIFPVBQESA-N -1 1 307.287 3.618 20 0 DHADMM CC(C)c1nc(=NCCc2cccc(Cl)c2Cl)o[n-]1 ZINC000605691843 1039741520 /nfs/dbraw/zinc/74/15/20/1039741520.db2.gz ZFERJMQKSQSMEB-UHFFFAOYSA-N -1 1 300.189 3.576 20 0 DHADMM CSc1ccccc1[C@@H](C)NC(=O)c1ccc([O-])c(F)c1 ZINC000669727740 1039753530 /nfs/dbraw/zinc/75/35/30/1039753530.db2.gz PBWJGOCINBKTTD-SNVBAGLBSA-N -1 1 305.374 3.744 20 0 DHADMM CCc1ccc(C(=O)CCC(=O)Nc2c([O-])cccc2F)cc1 ZINC000608367210 1040475459 /nfs/dbraw/zinc/47/54/59/1040475459.db2.gz NANUXRUWMVFHCB-UHFFFAOYSA-N -1 1 315.344 3.695 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1ccc(Oc2ccccc2)cn1 ZINC000669612368 1040759287 /nfs/dbraw/zinc/75/92/87/1040759287.db2.gz HNTJYBJAALGHAX-UHFFFAOYSA-N -1 1 324.311 3.971 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1C[C@@]12CCc1ccccc12 ZINC000456791162 1040920777 /nfs/dbraw/zinc/92/07/77/1040920777.db2.gz XJTRVCBHOZFVEC-KZULUSFZSA-N -1 1 315.319 3.513 20 0 DHADMM O=C(CCCc1c[nH]c2ccccc12)Nc1c([O-])cccc1F ZINC000078807061 185113229 /nfs/dbraw/zinc/11/32/29/185113229.db2.gz UYTJYZUFYNGKOX-UHFFFAOYSA-N -1 1 312.344 3.974 20 0 DHADMM CCCC(=CC(=O)NCCc1n[n-]c(=S)n1C(C)C)CCC ZINC000092441778 185318393 /nfs/dbraw/zinc/31/83/93/185318393.db2.gz UNXPKFNJBQREAJ-UHFFFAOYSA-N -1 1 324.494 3.707 20 0 DHADMM C[C@@H]1CCN(C(=O)c2ccc([O-])cc2F)[C@@H](c2ccco2)C1 ZINC000181247535 334963694 /nfs/dbraw/zinc/96/36/94/334963694.db2.gz HWUQURPHGSARRA-IAQYHMDHSA-N -1 1 303.333 3.738 20 0 DHADMM C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC(C(=O)[O-])CC1 ZINC000006201059 181319301 /nfs/dbraw/zinc/31/93/01/181319301.db2.gz WWEJFBAETDSYIR-VIFPVBQESA-N -1 1 302.201 3.851 20 0 DHADMM CC[C@H](c1ccncc1)N(CC)C(=O)c1cc(F)ccc1[O-] ZINC000091728287 193098339 /nfs/dbraw/zinc/09/83/39/193098339.db2.gz SVEZRDYRGQJLPY-OAHLLOKOSA-N -1 1 302.349 3.540 20 0 DHADMM C[C@H](C1CC1)N(C(=O)c1ccc(Br)cc1[O-])C1CC1 ZINC000093946051 193331493 /nfs/dbraw/zinc/33/14/93/193331493.db2.gz ODIGKQBXLQQVMA-SECBINFHSA-N -1 1 324.218 3.558 20 0 DHADMM CCc1cccc(C)c1[N-]S(=O)(=O)c1cccc(C(C)=O)c1 ZINC000016101234 182034451 /nfs/dbraw/zinc/03/44/51/182034451.db2.gz BSXLDAUHTQHXRQ-UHFFFAOYSA-N -1 1 317.410 3.561 20 0 DHADMM Cc1cc(CNCc2cnc(C(C)(C)C)s2)ccc1C(=O)[O-] ZINC000417644904 335024289 /nfs/dbraw/zinc/02/42/89/335024289.db2.gz AYBDVPJKJSDFBK-UHFFFAOYSA-N -1 1 318.442 3.737 20 0 DHADMM CCOc1cc(C(=O)N[C@H]2CCCC[C@H]2C)cc(Cl)c1[O-] ZINC000192736372 335036335 /nfs/dbraw/zinc/03/63/35/335036335.db2.gz SLRFBKJYTBBWAA-MFKMUULPSA-N -1 1 311.809 3.753 20 0 DHADMM Cc1ccc(C[C@H](C)NC(=O)c2c(F)ccc([O-])c2F)c(C)c1 ZINC000280926840 130827539 /nfs/dbraw/zinc/82/75/39/130827539.db2.gz JZMOWNDOTZGHTD-LBPRGKRZSA-N -1 1 319.351 3.648 20 0 DHADMM O=c1cc(CN2CCCC3(CC3)C2)c2cc(Cl)c([O-])cc2o1 ZINC000285076901 131135869 /nfs/dbraw/zinc/13/58/69/131135869.db2.gz PKGPKRQXWVCRIW-UHFFFAOYSA-N -1 1 319.788 3.528 20 0 DHADMM CO[C@@H]1CCC[C@@H](Cc2nc(-c3ccc([O-])cc3Cl)no2)C1 ZINC000289116589 131358972 /nfs/dbraw/zinc/35/89/72/131358972.db2.gz PYQMVOKMWULACH-ZYHUDNBSSA-N -1 1 322.792 3.843 20 0 DHADMM CC(C)[C@@H]1OCC[C@@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000289131955 131360559 /nfs/dbraw/zinc/36/05/59/131360559.db2.gz REYVWEMHEDKEDA-AAEUAGOBSA-N -1 1 308.765 3.624 20 0 DHADMM Cc1noc(C)c1C(C)(C)c1nc(-c2ccc([O-])cc2F)no1 ZINC000289199118 131365501 /nfs/dbraw/zinc/36/55/01/131365501.db2.gz YCYCNWPLUSVZAR-UHFFFAOYSA-N -1 1 317.320 3.512 20 0 DHADMM O=C([N-]c1cc(F)ccc1SCC(F)F)c1cncs1 ZINC000340573168 132021752 /nfs/dbraw/zinc/02/17/52/132021752.db2.gz AVGFKEMYHRVGTD-UHFFFAOYSA-N -1 1 318.345 3.892 20 0 DHADMM O=C([O-])c1ccc(CNCc2ccc(C3CC3)cc2)nc1C1CC1 ZINC000417713542 335069799 /nfs/dbraw/zinc/06/97/99/335069799.db2.gz YPUFXDMLRQNFTF-UHFFFAOYSA-N -1 1 322.408 3.824 20 0 DHADMM CCCCc1nnc([N-]C(=O)c2ccc(C(F)F)o2)s1 ZINC000624514623 435383148 /nfs/dbraw/zinc/38/31/48/435383148.db2.gz DEFIPNMOJJRTEA-UHFFFAOYSA-N -1 1 301.318 3.664 20 0 DHADMM Cc1cnc([C@H](C)NC(=O)c2cc3ccccc3cc2[O-])s1 ZINC000176058043 332921822 /nfs/dbraw/zinc/92/18/22/332921822.db2.gz YMNSQSXZJPSFSW-NSHDSACASA-N -1 1 312.394 3.801 20 0 DHADMM O=C([O-])[C@@H](NCc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000087761536 331791606 /nfs/dbraw/zinc/79/16/06/331791606.db2.gz ZAXQXDWYMRPREL-AWEZNQCLSA-N -1 1 310.180 3.909 20 0 DHADMM CCOc1cccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c1 ZINC000410329386 332112855 /nfs/dbraw/zinc/11/28/55/332112855.db2.gz YQCJVHCGKDEHBJ-UHFFFAOYSA-N -1 1 319.426 3.811 20 0 DHADMM Cc1cc(C)cc(CCc2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445483781 332119969 /nfs/dbraw/zinc/11/99/69/332119969.db2.gz WTUUZVRIZVCMCK-UHFFFAOYSA-N -1 1 312.344 3.983 20 0 DHADMM CCc1ccc([C@H](NCc2cc(C)ccc2F)C(=O)[O-])cc1 ZINC000426809950 332152108 /nfs/dbraw/zinc/15/21/08/332152108.db2.gz GZJMOFHDYMXLEV-KRWDZBQOSA-N -1 1 301.361 3.612 20 0 DHADMM COc1ccccc1[C@@H](NCc1ccc(Cl)c(C)c1)C(=O)[O-] ZINC000426791263 332153988 /nfs/dbraw/zinc/15/39/88/332153988.db2.gz DDFWYINLUBKREY-MRXNPFEDSA-N -1 1 319.788 3.573 20 0 DHADMM CCc1nc(SCC(=O)c2cc(C)sc2C)[n-]c(=O)c1C ZINC000572618460 332188194 /nfs/dbraw/zinc/18/81/94/332188194.db2.gz ZCQBCKXTVPJIHB-UHFFFAOYSA-N -1 1 322.455 3.706 20 0 DHADMM CC[C@H]1CN(C(=O)c2ncc(C)cc2[O-])CC[C@@H]1c1ccccc1 ZINC000427259807 332190902 /nfs/dbraw/zinc/19/09/02/332190902.db2.gz YKJNHZNYVUJLKW-RDJZCZTQSA-N -1 1 324.424 3.752 20 0 DHADMM Cc1cccc(C(=O)Nc2ccc(F)cc2[O-])c1Br ZINC000533875713 332229004 /nfs/dbraw/zinc/22/90/04/332229004.db2.gz FCZQCRQGQKZIRC-UHFFFAOYSA-N -1 1 324.149 3.855 20 0 DHADMM Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2ncc(C)cc2[O-])o1 ZINC000408225449 332336333 /nfs/dbraw/zinc/33/63/33/332336333.db2.gz UKCXLEKPTQNQGF-BXUZGUMPSA-N -1 1 314.385 3.610 20 0 DHADMM O=C(CCC1CC1)Nc1c([O-])cc(Br)cc1Cl ZINC000560503878 332347444 /nfs/dbraw/zinc/34/74/44/332347444.db2.gz HKGQHLHSVFMRPY-UHFFFAOYSA-N -1 1 318.598 3.937 20 0 DHADMM CN(Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)CC1CCC1 ZINC000566357849 332373738 /nfs/dbraw/zinc/37/37/38/332373738.db2.gz AGPPGPATKIJKRE-UHFFFAOYSA-N -1 1 316.426 3.740 20 0 DHADMM CC(=O)CCCCSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000163883420 332972865 /nfs/dbraw/zinc/97/28/65/332972865.db2.gz DVJRVZFSNPWWHU-UHFFFAOYSA-N -1 1 316.426 3.597 20 0 DHADMM C[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000180456988 333027859 /nfs/dbraw/zinc/02/78/59/333027859.db2.gz YJEONBRQEVPQNF-SNVBAGLBSA-N -1 1 301.308 3.673 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@@H]2CCC[C@H]21 ZINC000180600158 333029255 /nfs/dbraw/zinc/02/92/55/333029255.db2.gz CJBAWDCWDJITNB-GXFFZTMASA-N -1 1 313.319 3.816 20 0 DHADMM Cc1cc(NC(=O)c2ccc([O-])cc2F)ccc1Br ZINC000181085394 333029440 /nfs/dbraw/zinc/02/94/40/333029440.db2.gz BANIZBANICAUTQ-UHFFFAOYSA-N -1 1 324.149 3.855 20 0 DHADMM Cc1cc(Br)ccc1NC(=O)c1ccc([O-])cc1F ZINC000181837831 333034153 /nfs/dbraw/zinc/03/41/53/333034153.db2.gz XTLFBIIWWOBSMM-UHFFFAOYSA-N -1 1 324.149 3.855 20 0 DHADMM CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccc(F)cc1 ZINC000182018931 333036625 /nfs/dbraw/zinc/03/66/25/333036625.db2.gz SBGCSPUJGGQNLE-UHFFFAOYSA-N -1 1 313.250 3.827 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CC=C(C(F)(F)F)CC1 ZINC000323424169 333188731 /nfs/dbraw/zinc/18/87/31/333188731.db2.gz PCYYZOMKFUBEIH-UHFFFAOYSA-N -1 1 321.298 3.880 20 0 DHADMM Cc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2F)c1F ZINC000518786438 333249207 /nfs/dbraw/zinc/24/92/07/333249207.db2.gz FDEOPFFJWGCLHU-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000499719913 333301056 /nfs/dbraw/zinc/30/10/56/333301056.db2.gz PQCNOROHYRALMB-RNFRBKRXSA-N -1 1 314.259 3.522 20 0 DHADMM CCCc1cc(=O)[nH]c(C(=Cc2cc(F)c([O-])c(F)c2)CC)n1 ZINC000193619541 333304854 /nfs/dbraw/zinc/30/48/54/333304854.db2.gz CFXBGDNFUDAYGN-WDZFZDKYSA-N -1 1 320.339 3.657 20 0 DHADMM CC(C)CCOc1ccc(CNCc2cc(C(=O)[O-])co2)cc1 ZINC000426713549 333527079 /nfs/dbraw/zinc/52/70/79/333527079.db2.gz HUJKGTXZWMOHNE-UHFFFAOYSA-N -1 1 317.385 3.693 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@]12CCCc1ccccc12 ZINC000531756438 333552383 /nfs/dbraw/zinc/55/23/83/333552383.db2.gz JUVIPLKGEHKZOZ-KXBFYZLASA-N -1 1 311.356 3.764 20 0 DHADMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000340089593 334125666 /nfs/dbraw/zinc/12/56/66/334125666.db2.gz GAPIMAPZYLREES-ZDUSSCGKSA-N -1 1 305.399 3.503 20 0 DHADMM CCSCc1ccnc(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000438874801 334141817 /nfs/dbraw/zinc/14/18/17/334141817.db2.gz FBNMNDIYEJUCJO-UHFFFAOYSA-N -1 1 324.352 3.571 20 0 DHADMM O=S(=O)(Cc1cccc(Cl)c1)[N-]c1cccc(C2CC2)n1 ZINC000295200741 334220636 /nfs/dbraw/zinc/22/06/36/334220636.db2.gz NEDRCLNIIXPXQQ-UHFFFAOYSA-N -1 1 322.817 3.554 20 0 DHADMM O=S(=O)([N-]c1ccc(Cl)c(F)c1)c1ccc(F)c(F)c1 ZINC000048655417 334293655 /nfs/dbraw/zinc/29/36/55/334293655.db2.gz PEYNERNUOQAZBU-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM O=C(CCCc1c[nH]c2ccccc12)Nc1ccc(F)cc1[O-] ZINC000534704061 334328517 /nfs/dbraw/zinc/32/85/17/334328517.db2.gz DIVRVCIVFSGJLA-UHFFFAOYSA-N -1 1 312.344 3.974 20 0 DHADMM CCOc1ccc(CCC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000532012640 334373513 /nfs/dbraw/zinc/37/35/13/334373513.db2.gz DPCNILDGAHRYQK-UHFFFAOYSA-N -1 1 303.333 3.501 20 0 DHADMM CCc1cc(=O)[n-]c(S[C@@H](C)CCSc2ccccc2)n1 ZINC000188113275 334642087 /nfs/dbraw/zinc/64/20/87/334642087.db2.gz BYODKJSOOVGTJV-LBPRGKRZSA-N -1 1 320.483 3.995 20 0 DHADMM COc1cc(C(=O)Nc2cccc(C(C)=O)c2)cc(Cl)c1[O-] ZINC000344766530 335275913 /nfs/dbraw/zinc/27/59/13/335275913.db2.gz QQKNWJMONDGBCS-UHFFFAOYSA-N -1 1 319.744 3.509 20 0 DHADMM O=C(Nc1ccccc1Oc1cccc(F)c1)c1cncc([O-])c1 ZINC000346258771 335395603 /nfs/dbraw/zinc/39/56/03/335395603.db2.gz VEWBKEQVHKNHOI-UHFFFAOYSA-N -1 1 324.311 3.971 20 0 DHADMM CC(=O)c1csc(C(=O)[N-]c2c(F)cc(C(C)=O)cc2F)c1 ZINC000347157776 335474466 /nfs/dbraw/zinc/47/44/66/335474466.db2.gz UCZHLWUSQSMPBF-UHFFFAOYSA-N -1 1 323.320 3.684 20 0 DHADMM CC(C)OCc1cccc(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000348071651 335550735 /nfs/dbraw/zinc/55/07/35/335550735.db2.gz HSRYDIZSHIXYFO-UHFFFAOYSA-N -1 1 321.323 3.848 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H]1CCc1ccccc1 ZINC000094019541 335699433 /nfs/dbraw/zinc/69/94/33/335699433.db2.gz ONXVMCJSDNPYMN-MRXNPFEDSA-N -1 1 313.372 3.769 20 0 DHADMM O=C(Nc1ccc(Cl)cc1[O-])c1cc(-c2ccccc2)on1 ZINC000536220610 335831410 /nfs/dbraw/zinc/83/14/10/335831410.db2.gz UMGROSJCINEVBE-UHFFFAOYSA-N -1 1 314.728 3.953 20 0 DHADMM Cc1cccc(F)c1S(=O)(=O)[N-]c1cccc(F)c1Cl ZINC000519670896 335887911 /nfs/dbraw/zinc/88/79/11/335887911.db2.gz SYQRVJHDMODLDG-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM C[C@H]1CCN(C(=O)c2cc3ccccc3cc2[O-])CCS1 ZINC000191937043 336007513 /nfs/dbraw/zinc/00/75/13/336007513.db2.gz OQEIYKCVJVPSQL-LBPRGKRZSA-N -1 1 301.411 3.513 20 0 DHADMM Cc1nc(-c2ccc(N[C@H]3CCC(C)(C)C3)nc2)[n-]c(=O)c1C ZINC000351507119 336039083 /nfs/dbraw/zinc/03/90/83/336039083.db2.gz XPQZPOFCDGUEQD-AWEZNQCLSA-N -1 1 312.417 3.852 20 0 DHADMM O=C(N[C@@H]1CCc2ccc(F)cc21)c1ccc(Cl)cc1[O-] ZINC000520738620 336077776 /nfs/dbraw/zinc/07/77/76/336077776.db2.gz UQINNGKXZWEBLR-CQSZACIVSA-N -1 1 305.736 3.602 20 0 DHADMM COc1cc(C(=O)N[C@H]2CCC[C@@H](C)CC2)cc(Cl)c1[O-] ZINC000332345722 336169563 /nfs/dbraw/zinc/16/95/63/336169563.db2.gz QMUYOJSKDGJEOA-PWSUYJOCSA-N -1 1 311.809 3.753 20 0 DHADMM Cc1cnc(-c2nc(=O)c3c4c(sc3[n-]2)C[C@H](C)CC4)s1 ZINC000333174961 336199297 /nfs/dbraw/zinc/19/92/97/336199297.db2.gz OKWMVZFQXCNVDF-SSDOTTSWSA-N -1 1 317.439 3.954 20 0 DHADMM CN(Cc1ccccc1Cl)C(=O)c1ccc(Cl)cc1[O-] ZINC000042252717 336238016 /nfs/dbraw/zinc/23/80/16/336238016.db2.gz GBZRYJRNXZYZPS-UHFFFAOYSA-N -1 1 310.180 3.971 20 0 DHADMM CCCC1(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)CC1 ZINC000301614636 336318331 /nfs/dbraw/zinc/31/83/31/336318331.db2.gz AXKXQMQQDFZGED-UHFFFAOYSA-N -1 1 312.417 3.853 20 0 DHADMM Cc1nc(-c2ccc(N(C)C[C@@H]3CC=CCC3)nc2)[n-]c(=O)c1C ZINC000302139874 336350384 /nfs/dbraw/zinc/35/03/84/336350384.db2.gz IZIRRERCGLKQJB-OAHLLOKOSA-N -1 1 324.428 3.654 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H]1c1cccnc1 ZINC000368737375 336851540 /nfs/dbraw/zinc/85/15/40/336851540.db2.gz PRYKOAAIWIJPBY-SFHVURJKSA-N -1 1 318.376 3.918 20 0 DHADMM C[C@@H](C(=O)[O-])[C@@H](NCc1cc(F)ccc1F)c1ccccc1 ZINC000426749523 336982522 /nfs/dbraw/zinc/98/25/22/336982522.db2.gz GMECHFUUXIXIAO-BDJLRTHQSA-N -1 1 305.324 3.516 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1CCC[C@@H](c2nccs2)C1 ZINC000170890637 337083656 /nfs/dbraw/zinc/08/36/56/337083656.db2.gz IEJJUEHATNZXRS-SNVBAGLBSA-N -1 1 322.817 3.522 20 0 DHADMM CC(C)c1cc(C(=O)[N-]c2nc(-c3cccs3)ns2)no1 ZINC000180317737 337175812 /nfs/dbraw/zinc/17/58/12/337175812.db2.gz JUSMCFJKHFTTSU-UHFFFAOYSA-N -1 1 320.399 3.630 20 0 DHADMM CCc1ccc(CN(C)C(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000023595636 337197096 /nfs/dbraw/zinc/19/70/96/337197096.db2.gz IJKZQBGUDARRTQ-UHFFFAOYSA-N -1 1 303.789 3.880 20 0 DHADMM CCc1onc(C)c1[N-]C(=O)c1ncoc1-c1ccc(F)cc1 ZINC000186656368 337258288 /nfs/dbraw/zinc/25/82/88/337258288.db2.gz QSCNIHFFCMYYFD-UHFFFAOYSA-N -1 1 315.304 3.592 20 0 DHADMM COc1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1OC ZINC000190916810 337291352 /nfs/dbraw/zinc/29/13/52/337291352.db2.gz QJBKVQVCSWXMRI-UHFFFAOYSA-N -1 1 322.748 3.707 20 0 DHADMM COc1ccc(CSc2nc(C(F)F)cc(=O)[n-]2)cc1F ZINC000583819272 337338702 /nfs/dbraw/zinc/33/87/02/337338702.db2.gz XAQVARURCQMNKC-UHFFFAOYSA-N -1 1 316.304 3.560 20 0 DHADMM [O-]c1ccc(F)cc1-c1nc(Cc2ccc3c(c2)CCC3)no1 ZINC000445398084 337541409 /nfs/dbraw/zinc/54/14/09/337541409.db2.gz PVPJUWRVDYQNSA-UHFFFAOYSA-N -1 1 310.328 3.661 20 0 DHADMM O=S(=O)([N-]c1ccc2ncsc2c1)c1ccc(Cl)cc1 ZINC000107546744 337830348 /nfs/dbraw/zinc/83/03/48/337830348.db2.gz FDDXCESPVAAJID-UHFFFAOYSA-N -1 1 324.814 3.751 20 0 DHADMM C[C@H](c1nc(-c2ccc([O-])cc2Cl)no1)c1cccnc1 ZINC000445449487 337861677 /nfs/dbraw/zinc/86/16/77/337861677.db2.gz YWQRXVFJCYQIKY-VIFPVBQESA-N -1 1 301.733 3.642 20 0 DHADMM Cc1cc([C@@H]2CCCN2C(=O)c2cc3ccccc3cc2[O-])on1 ZINC000537639976 337954626 /nfs/dbraw/zinc/95/46/26/337954626.db2.gz SPPURONVZVNERF-INIZCTEOSA-N -1 1 322.364 3.819 20 0 DHADMM O=C([O-])[C@H](NCc1cccc(C2CC2)c1)c1ccc(F)cc1F ZINC000515068148 337978046 /nfs/dbraw/zinc/97/80/46/337978046.db2.gz AYUQMCHGIHFBCK-QGZVFWFLSA-N -1 1 317.335 3.758 20 0 DHADMM COc1cccc(/C=C\c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445452417 338016669 /nfs/dbraw/zinc/01/66/69/338016669.db2.gz CMMQCZFGMCMTTF-YVMONPNESA-N -1 1 312.300 3.760 20 0 DHADMM Cc1cccc(C2(c3nc(-c4ccc([O-])cc4F)no3)CC2)c1 ZINC000445453337 338017001 /nfs/dbraw/zinc/01/70/01/338017001.db2.gz HYAIXKMAEPALCY-UHFFFAOYSA-N -1 1 310.328 3.970 20 0 DHADMM C[C@H](c1nc(-c2ccc([O-])cc2F)no1)c1cccc(F)c1 ZINC000445458481 338018064 /nfs/dbraw/zinc/01/80/64/338018064.db2.gz YBACKAFFLWYAPY-VIFPVBQESA-N -1 1 302.280 3.872 20 0 DHADMM CCc1nc(C)c(-c2nc(-c3ccc([O-])cc3F)no2)s1 ZINC000445457512 338018368 /nfs/dbraw/zinc/01/83/68/338018368.db2.gz NOTSVQSJAYOXHC-UHFFFAOYSA-N -1 1 305.334 3.576 20 0 DHADMM Cc1cnc(C(=O)N(C)[C@H](C)c2ccccc2Cl)c([O-])c1 ZINC000426431686 338032161 /nfs/dbraw/zinc/03/21/61/338032161.db2.gz FDOUJCHDSIMIRZ-LLVKDONJSA-N -1 1 304.777 3.582 20 0 DHADMM CCOc1cc(C(=O)N(C)[C@@H]2CC[C@H](C)C2)cc(Cl)c1[O-] ZINC000430471698 338107591 /nfs/dbraw/zinc/10/75/91/338107591.db2.gz UZFSKVKHJSEWCV-CMPLNLGQSA-N -1 1 311.809 3.705 20 0 DHADMM Cc1nc(S(=O)(=O)CCCC(C)C)[nH]c1-c1ccccc1 ZINC000431591623 338134225 /nfs/dbraw/zinc/13/42/25/338134225.db2.gz GBTMIINBSAFZCZ-UHFFFAOYSA-N -1 1 306.431 3.595 20 0 DHADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(OC)c2)cc1 ZINC000436158389 338259913 /nfs/dbraw/zinc/25/99/13/338259913.db2.gz COKWDPBMDOWNQF-UHFFFAOYSA-N -1 1 323.389 3.588 20 0 DHADMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000436182989 338260975 /nfs/dbraw/zinc/26/09/75/338260975.db2.gz HVKQKWJMRVYXKV-UHFFFAOYSA-N -1 1 318.373 3.725 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)c(C)c1 ZINC000436184422 338260997 /nfs/dbraw/zinc/26/09/97/338260997.db2.gz KQIYSXKWGUHQIP-UHFFFAOYSA-N -1 1 314.410 3.894 20 0 DHADMM CCc1cc(=O)[n-]c(SCc2cccc(OC(C)(C)C)n2)n1 ZINC000436212797 338262032 /nfs/dbraw/zinc/26/20/32/338262032.db2.gz VQXAXRBPIDVWNE-UHFFFAOYSA-N -1 1 319.430 3.609 20 0 DHADMM C=Cc1ccc(S(=O)(=O)[N-]c2cccc(OCC)c2)cc1 ZINC000436476893 338273509 /nfs/dbraw/zinc/27/35/09/338273509.db2.gz KGOZUAOHMUWRGF-UHFFFAOYSA-N -1 1 303.383 3.529 20 0 DHADMM CSc1ccccc1[C@@H](C)NC(=O)c1c([O-])cccc1F ZINC000436482771 338273712 /nfs/dbraw/zinc/27/37/12/338273712.db2.gz BDKYBYOHWFRNGK-SNVBAGLBSA-N -1 1 305.374 3.744 20 0 DHADMM C[C@@H](CCCC(F)(F)F)NC(=O)c1cc(Cl)ccc1[O-] ZINC000436808256 338288160 /nfs/dbraw/zinc/28/81/60/338288160.db2.gz OISJEAKFOAFEPL-QMMMGPOBSA-N -1 1 309.715 3.897 20 0 DHADMM O=C(NC[C@H]1CCCC(F)(F)C1)c1cc(Cl)ccc1[O-] ZINC000436502536 338274534 /nfs/dbraw/zinc/27/45/34/338274534.db2.gz JRWGWKFUXRWBRB-VIFPVBQESA-N -1 1 303.736 3.601 20 0 DHADMM CC(C)[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccc(F)cc1 ZINC000436512136 338274602 /nfs/dbraw/zinc/27/46/02/338274602.db2.gz LZTUZSAQFHDMDD-MRXNPFEDSA-N -1 1 305.324 3.798 20 0 DHADMM Cc1ccccc1[C@@]1(F)CCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000436516015 338274836 /nfs/dbraw/zinc/27/48/36/338274836.db2.gz SQYLPVATWZHZTE-GOSISDBHSA-N -1 1 317.335 3.551 20 0 DHADMM Cc1noc2ncc(NC(=O)c3cc4ccccc4cc3[O-])cc12 ZINC000436530496 338275345 /nfs/dbraw/zinc/27/53/45/338275345.db2.gz AWMJSMOHSAQJKI-UHFFFAOYSA-N -1 1 319.320 3.642 20 0 DHADMM O=C(Nc1ccc(Oc2ccncc2)cc1)c1cc(F)ccc1[O-] ZINC000436535138 338275798 /nfs/dbraw/zinc/27/57/98/338275798.db2.gz MNTLSSSYFPFZDB-UHFFFAOYSA-N -1 1 324.311 3.971 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N(CCc1ccc(F)cc1)C1CC1 ZINC000436546032 338276473 /nfs/dbraw/zinc/27/64/73/338276473.db2.gz DWHPMLRQOILADU-UHFFFAOYSA-N -1 1 317.335 3.518 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2cccc([S@@](C)=O)c2)c([O-])c1 ZINC000436556134 338276946 /nfs/dbraw/zinc/27/69/46/338276946.db2.gz PALVJXVAPNGPCR-JOCHJYFZSA-N -1 1 317.410 3.505 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@H]1Cc1ccccc1 ZINC000436576924 338277928 /nfs/dbraw/zinc/27/79/28/338277928.db2.gz NHZLELIPRLTHTM-CQSZACIVSA-N -1 1 301.773 3.503 20 0 DHADMM O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(F)ccc1[O-] ZINC000436584917 338278605 /nfs/dbraw/zinc/27/86/05/338278605.db2.gz KHXOOAWABQMPKP-NXEZZACHSA-N -1 1 319.298 3.630 20 0 DHADMM CCn1nc(C(C)C)cc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000436630443 338280570 /nfs/dbraw/zinc/28/05/70/338280570.db2.gz NHCJHRGFSVZMAF-UHFFFAOYSA-N -1 1 307.781 3.638 20 0 DHADMM C[C@@H](NC(=O)C(=O)c1ccc([O-])cc1)c1cccc2ccccc21 ZINC000436663699 338282008 /nfs/dbraw/zinc/28/20/08/338282008.db2.gz GPNLMKYPRQUXNA-CYBMUJFWSA-N -1 1 319.360 3.606 20 0 DHADMM CN(C(=O)c1cc2ccccc2cc1[O-])C1Cc2ccccc2C1 ZINC000436712895 338283717 /nfs/dbraw/zinc/28/37/17/338283717.db2.gz PNKFIJUMQVDREK-UHFFFAOYSA-N -1 1 317.388 3.785 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCc2c(F)cccc2C1 ZINC000436716303 338283792 /nfs/dbraw/zinc/28/37/92/338283792.db2.gz PLNIXEFSCFAXHU-UHFFFAOYSA-N -1 1 321.351 3.883 20 0 DHADMM COc1ccc(C(=O)N2C[C@H](C(C)C)c3ccccc32)c([O-])c1 ZINC000436715437 338283879 /nfs/dbraw/zinc/28/38/79/338283879.db2.gz PBLKKUPRMDXOHN-MRXNPFEDSA-N -1 1 311.381 3.801 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1Cc2ccccc2CO1 ZINC000436737151 338284895 /nfs/dbraw/zinc/28/48/95/338284895.db2.gz HTUILDIRDGEGII-UHFFFAOYSA-N -1 1 305.333 3.633 20 0 DHADMM C[C@@H](C1CC1)n1cc(NC(=O)c2cc3ccccc3cc2[O-])cn1 ZINC000436743386 338284946 /nfs/dbraw/zinc/28/49/46/338284946.db2.gz XXUCQPWBQSKUIC-LBPRGKRZSA-N -1 1 321.380 3.965 20 0 DHADMM COCC(C)(C)CCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000436744594 338285198 /nfs/dbraw/zinc/28/51/98/338285198.db2.gz NRENZVILPUDZBZ-UHFFFAOYSA-N -1 1 315.413 3.728 20 0 DHADMM CCOc1ccc(CNC(=O)c2ccc(Cl)cc2[O-])cc1F ZINC000436749679 338285387 /nfs/dbraw/zinc/28/53/87/338285387.db2.gz ZQTCJSJSFXWDBM-UHFFFAOYSA-N -1 1 323.751 3.513 20 0 DHADMM CCc1cnccc1[C@@H](C)NC(=O)c1ccc2ccccc2c1[O-] ZINC000436793496 338287592 /nfs/dbraw/zinc/28/75/92/338287592.db2.gz RVMINMGAYHWGQF-CYBMUJFWSA-N -1 1 320.392 3.994 20 0 DHADMM Cc1cccc(CN(C)C(=O)c2cc(Cl)ccc2[O-])c1C ZINC000436795289 338287625 /nfs/dbraw/zinc/28/76/25/338287625.db2.gz YFSMVOYVAVDIQV-UHFFFAOYSA-N -1 1 303.789 3.935 20 0 DHADMM CCc1cnccc1[C@@H](C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000436793159 338287644 /nfs/dbraw/zinc/28/76/44/338287644.db2.gz PZPKJDIOSAULSF-CYBMUJFWSA-N -1 1 320.392 3.994 20 0 DHADMM CCc1cnccc1[C@H](C)NC(=O)c1ccc2ccccc2c1[O-] ZINC000436793497 338287708 /nfs/dbraw/zinc/28/77/08/338287708.db2.gz RVMINMGAYHWGQF-ZDUSSCGKSA-N -1 1 320.392 3.994 20 0 DHADMM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1ccc(Cl)cc1[O-] ZINC000436798079 338287738 /nfs/dbraw/zinc/28/77/38/338287738.db2.gz QWTMTMHUNNIMRW-ZWNOBZJWSA-N -1 1 323.726 3.610 20 0 DHADMM Cc1c(NC(=O)c2ccc([O-])cc2F)cccc1-c1ncco1 ZINC000436825477 338288794 /nfs/dbraw/zinc/28/87/94/338288794.db2.gz KZOOMWRFZLIJIA-UHFFFAOYSA-N -1 1 312.300 3.747 20 0 DHADMM O=C(c1cc(Br)ccc1[O-])N1CCCC2(CCC2)C1 ZINC000436833474 338289096 /nfs/dbraw/zinc/28/90/96/338289096.db2.gz MAYYHWZZQCXQRH-UHFFFAOYSA-N -1 1 324.218 3.561 20 0 DHADMM CC(C)[C@@H](c1nc(-c2ccc([O-])cc2F)no1)c1cccnc1 ZINC000436875630 338291117 /nfs/dbraw/zinc/29/11/17/338291117.db2.gz VGULUYOZXCYWLA-OAHLLOKOSA-N -1 1 313.332 3.764 20 0 DHADMM [O-]c1ccc(-c2noc(C[C@@H]3C[C@H]3c3ccccc3)n2)cc1F ZINC000436876901 338291208 /nfs/dbraw/zinc/29/12/08/338291208.db2.gz CBQOJVVSAPPNKU-KBPBESRZSA-N -1 1 310.328 3.928 20 0 DHADMM CCCCOc1ccc(C(=O)Nc2cccc(O)c2)c([O-])c1 ZINC000436879718 338291460 /nfs/dbraw/zinc/29/14/60/338291460.db2.gz HMVATKDJDOZGGR-UHFFFAOYSA-N -1 1 301.342 3.529 20 0 DHADMM CCCn1ccc2ccc(NC(=O)C(=O)c3ccc([O-])cc3)cc21 ZINC000436903495 338292871 /nfs/dbraw/zinc/29/28/71/338292871.db2.gz IBPCQQNUOCUTSY-UHFFFAOYSA-N -1 1 322.364 3.578 20 0 DHADMM [O-]c1ccc(F)cc1-c1nc(COc2ccc(Cl)cc2)no1 ZINC000436903704 338292950 /nfs/dbraw/zinc/29/29/50/338292950.db2.gz NURZZTCQOIUEDC-UHFFFAOYSA-N -1 1 320.707 3.814 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@@H](C2CC2)C1 ZINC000436919101 338293532 /nfs/dbraw/zinc/29/35/32/338293532.db2.gz AWUCOQUQSKJDAX-LLVKDONJSA-N -1 1 313.319 3.673 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2cccc3[nH]c(=O)oc32)c([O-])c1 ZINC000436933515 338294175 /nfs/dbraw/zinc/29/41/75/338294175.db2.gz HQLPJPMGDQXUMX-UHFFFAOYSA-N -1 1 312.325 3.615 20 0 DHADMM COc1ccc(-c2nc([C@@H](C)Oc3ccccc3)no2)c([O-])c1 ZINC000436931211 338294327 /nfs/dbraw/zinc/29/43/27/338294327.db2.gz JWMJVXYIYQRMHB-LLVKDONJSA-N -1 1 312.325 3.591 20 0 DHADMM CO[C@](C)(c1noc(-c2ccc3ccccc3c2[O-])n1)C1CC1 ZINC000436955262 338295726 /nfs/dbraw/zinc/29/57/26/338295726.db2.gz KBHVVDTYGINLSJ-SFHVURJKSA-N -1 1 310.353 3.867 20 0 DHADMM COc1cccc(NC(=O)c2ccc3ccccc3c2[O-])c1O ZINC000436960690 338296139 /nfs/dbraw/zinc/29/61/39/338296139.db2.gz DSWARFVSNOWYOH-UHFFFAOYSA-N -1 1 309.321 3.512 20 0 DHADMM C[C@@H](NC(=O)c1c([O-])cccc1F)c1cc2cccc(F)c2o1 ZINC000436966094 338296279 /nfs/dbraw/zinc/29/62/79/338296279.db2.gz LULFOWXOTBOUMF-SECBINFHSA-N -1 1 317.291 3.908 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000436983036 338296682 /nfs/dbraw/zinc/29/66/82/338296682.db2.gz ZJYAPXKKWCNIAH-KRWDZBQOSA-N -1 1 311.356 3.899 20 0 DHADMM CCC1(CC)CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000436999728 338297297 /nfs/dbraw/zinc/29/72/97/338297297.db2.gz NJGOCTDNMGSDCX-UHFFFAOYSA-N -1 1 301.308 3.673 20 0 DHADMM CN(C(=O)C(=O)c1ccc([O-])cc1)C1CCC(C(C)(C)C)CC1 ZINC000437005380 338297547 /nfs/dbraw/zinc/29/75/47/338297547.db2.gz OTTGHYNRWZIBNX-UHFFFAOYSA-N -1 1 317.429 3.638 20 0 DHADMM CSc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1 ZINC000438796788 338352211 /nfs/dbraw/zinc/35/22/11/338352211.db2.gz RUNMPNFDLHHIBS-UHFFFAOYSA-N -1 1 311.403 3.657 20 0 DHADMM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)c1cc(F)ccc1[O-] ZINC000439052982 338359745 /nfs/dbraw/zinc/35/97/45/338359745.db2.gz FAZJVTORXPJCAC-WDEREUQCSA-N -1 1 317.335 3.818 20 0 DHADMM O=C(c1cncc([O-])c1)N1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000456380668 338928286 /nfs/dbraw/zinc/92/82/86/338928286.db2.gz NLIGXOKAIOYGMY-MRXNPFEDSA-N -1 1 316.788 3.808 20 0 DHADMM C[C@H](OC1CCCCCC1)C(=O)Nc1ccc([O-])c(F)c1F ZINC000456778582 338940195 /nfs/dbraw/zinc/94/01/95/338940195.db2.gz HEPZPEGJJQJEAA-JTQLQIEISA-N -1 1 313.344 3.737 20 0 DHADMM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000456786339 338940642 /nfs/dbraw/zinc/94/06/42/338940642.db2.gz OMLQDVDQLMAGQL-BDAKNGLRSA-N -1 1 309.337 3.783 20 0 DHADMM Cc1cccc([C@@H]2CCCCN2C(=O)c2ncccc2[O-])c1C ZINC000460197467 339025078 /nfs/dbraw/zinc/02/50/78/339025078.db2.gz OUDSTEHULHIENR-INIZCTEOSA-N -1 1 310.397 3.771 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2ccccc2C(C)(C)C)cc1O ZINC000462105358 339072200 /nfs/dbraw/zinc/07/22/00/339072200.db2.gz SVHCLPBABRHPEW-UHFFFAOYSA-N -1 1 319.426 3.799 20 0 DHADMM C[C@@H]1C[C@H]1[C@H](NC(=O)c1cncc([O-])c1)c1ccc(Cl)cc1 ZINC000469716483 339296274 /nfs/dbraw/zinc/29/62/74/339296274.db2.gz SYNJAIOFJYERGW-UHNFBRDESA-N -1 1 316.788 3.568 20 0 DHADMM CC(C)(C)OCCCCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000473793164 339392281 /nfs/dbraw/zinc/39/22/81/339392281.db2.gz CNDILCXJVPVOBY-UHFFFAOYSA-N -1 1 324.368 3.888 20 0 DHADMM CC(C)=CCC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000480733849 339585166 /nfs/dbraw/zinc/58/51/66/339585166.db2.gz GZJIKIYOJLGSBV-UHFFFAOYSA-N -1 1 314.259 3.690 20 0 DHADMM Cc1ccc(F)c(C(=O)[N-]c2c(F)cc(F)cc2F)c1F ZINC000499821822 340045275 /nfs/dbraw/zinc/04/52/75/340045275.db2.gz QBTHVLWGMIUJGT-UHFFFAOYSA-N -1 1 301.214 3.943 20 0 DHADMM CCSc1cccc([N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000505281665 340165481 /nfs/dbraw/zinc/16/54/81/340165481.db2.gz QQEXVQPQAMQZEI-UHFFFAOYSA-N -1 1 307.440 3.908 20 0 DHADMM Cc1ccc(CCC2CCN(C(=O)c3ncccc3[O-])CC2)cc1 ZINC000508192531 340240257 /nfs/dbraw/zinc/24/02/57/340240257.db2.gz HSKPYKUVHHRQSJ-UHFFFAOYSA-N -1 1 324.424 3.581 20 0 DHADMM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cc(C)ccc1F ZINC000509102697 340261511 /nfs/dbraw/zinc/26/15/11/340261511.db2.gz JBPYTEFSLKLLJL-UHFFFAOYSA-N -1 1 323.389 3.560 20 0 DHADMM O=C(Nc1ccncc1[O-])c1cc(-c2ccccc2)ccc1Cl ZINC000511982737 340344510 /nfs/dbraw/zinc/34/45/10/340344510.db2.gz JWEHXFQNGSWNPY-UHFFFAOYSA-N -1 1 324.767 3.782 20 0 DHADMM COC(=O)CCc1ccc(NCc2cccc([O-])c2Cl)cc1 ZINC000512281461 340355209 /nfs/dbraw/zinc/35/52/09/340355209.db2.gz YAVPALHNQGVNPL-UHFFFAOYSA-N -1 1 319.788 3.763 20 0 DHADMM CCCC[C@H](C)N(C)C(=O)c1ccc(Br)cc1[O-] ZINC000311180833 340445559 /nfs/dbraw/zinc/44/55/59/340445559.db2.gz YNOYNFGAEXDMBZ-JTQLQIEISA-N -1 1 314.223 3.805 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](C)C(C)C)c1 ZINC000182930877 340485868 /nfs/dbraw/zinc/48/58/68/340485868.db2.gz QIHAXFSQLOQSNU-SECBINFHSA-N -1 1 300.196 3.694 20 0 DHADMM CCOc1cc(C(=O)N(C)Cc2ccc(C)o2)cc(Cl)c1[O-] ZINC000193201288 340574039 /nfs/dbraw/zinc/57/40/39/340574039.db2.gz ZVWIQCPKDJGBLT-UHFFFAOYSA-N -1 1 323.776 3.618 20 0 DHADMM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000315976209 340677642 /nfs/dbraw/zinc/67/76/42/340677642.db2.gz VXXYXLVRAOLCII-LBPRGKRZSA-N -1 1 323.389 3.804 20 0 DHADMM CCC[C@](C)(O)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529538369 340760804 /nfs/dbraw/zinc/76/08/04/340760804.db2.gz BIZWAPYFKLSHJR-INIZCTEOSA-N -1 1 307.777 3.688 20 0 DHADMM C[C@H]1C[C@H](C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CO1 ZINC000529538328 340760888 /nfs/dbraw/zinc/76/08/88/340760888.db2.gz AHADRFKNUISQPZ-UWVGGRQHSA-N -1 1 305.761 3.562 20 0 DHADMM COc1ccc(NC(C)=O)cc1NCc1cccc([O-])c1Cl ZINC000328359053 340784688 /nfs/dbraw/zinc/78/46/88/340784688.db2.gz OQTRQCVIGCCTHX-UHFFFAOYSA-N -1 1 320.776 3.625 20 0 DHADMM CC(C)(CNC(=O)c1c(F)ccc([O-])c1F)c1ccc(F)cc1 ZINC000538345165 340818889 /nfs/dbraw/zinc/81/88/89/340818889.db2.gz FGSJCGLVHVKIPN-UHFFFAOYSA-N -1 1 323.314 3.517 20 0 DHADMM CCc1cc(=O)[n-]c(SCc2c(Cl)cccc2Cl)n1 ZINC000071418955 341034378 /nfs/dbraw/zinc/03/43/78/341034378.db2.gz AGVGVEWVUGLQOF-UHFFFAOYSA-N -1 1 315.225 3.931 20 0 DHADMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000131028511 341056588 /nfs/dbraw/zinc/05/65/88/341056588.db2.gz HKVMOPWFUYUXMV-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM CCOc1cc(C(=O)N[C@@H](C)C[C@@H](C)CC)cc(Cl)c1[O-] ZINC000545149705 341110429 /nfs/dbraw/zinc/11/04/29/341110429.db2.gz NGZXOCHOGNOTQF-QWRGUYRKSA-N -1 1 313.825 3.999 20 0 DHADMM Cc1cccc([N-]S(=O)(=O)c2cccc(F)c2F)c1Cl ZINC000075082025 341163822 /nfs/dbraw/zinc/16/38/22/341163822.db2.gz PQDKJDBDKJRTNR-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc2ccncc21 ZINC000548611579 341267106 /nfs/dbraw/zinc/26/71/06/341267106.db2.gz DXTXJOHHMJWSAF-UHFFFAOYSA-N -1 1 312.394 3.598 20 0 DHADMM CCc1cccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c1 ZINC000080939640 341277028 /nfs/dbraw/zinc/27/70/28/341277028.db2.gz XAHIASBNSRYJSY-UHFFFAOYSA-N -1 1 300.383 3.531 20 0 DHADMM CCc1cccc(S(=O)(=O)[N-]c2cccc([C@H](C)OC)c2)c1 ZINC000080939709 341277036 /nfs/dbraw/zinc/27/70/36/341277036.db2.gz YJLRUCDKSGYXSS-ZDUSSCGKSA-N -1 1 319.426 3.757 20 0 DHADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CC2(C1)CCCC2 ZINC000549734532 341301761 /nfs/dbraw/zinc/30/17/61/341301761.db2.gz FNFNGGRVAPHAIB-UHFFFAOYSA-N -1 1 316.788 3.610 20 0 DHADMM O=C(CC1CCC1)Nc1c([O-])cc(Br)cc1Cl ZINC000552022365 341362270 /nfs/dbraw/zinc/36/22/70/341362270.db2.gz HGBKRKDAQHWLBA-UHFFFAOYSA-N -1 1 318.598 3.937 20 0 DHADMM CC(C)CC(=O)Nc1c([O-])cc(Br)cc1Cl ZINC000552027684 341362817 /nfs/dbraw/zinc/36/28/17/341362817.db2.gz VLBPBUXVOSVXCD-UHFFFAOYSA-N -1 1 306.587 3.793 20 0 DHADMM O=S(=O)([N-]Cc1ccccc1Cl)c1cc2ccccc2o1 ZINC000084935676 341363825 /nfs/dbraw/zinc/36/38/25/341363825.db2.gz LCNGPNIUDWWCNI-UHFFFAOYSA-N -1 1 321.785 3.565 20 0 DHADMM Cc1nc(S[C@H](C)C(=O)c2cccc(Cl)c2)[n-]c(=O)c1C ZINC000565708066 341535750 /nfs/dbraw/zinc/53/57/50/341535750.db2.gz JRYQQMJCIMCFDW-SNVBAGLBSA-N -1 1 322.817 3.816 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@H]1c1ccccc1Cl ZINC000569145156 341692204 /nfs/dbraw/zinc/69/22/04/341692204.db2.gz GQRNRQXBAATTGA-NWDGAFQWSA-N -1 1 305.736 3.927 20 0 DHADMM CC(C)(C)Oc1ccc(-c2nc(=O)c3sccc3[n-]2)cc1 ZINC000485353884 517385856 /nfs/dbraw/zinc/38/58/56/517385856.db2.gz XMLWOXDAHBKBLT-UHFFFAOYSA-N -1 1 300.383 3.829 20 0 DHADMM CC[C@@](C)(NCc1ccc(C(=O)[O-])cc1)c1nc(C)cs1 ZINC000263571372 523658794 /nfs/dbraw/zinc/65/87/94/523658794.db2.gz JHFFMZMLIHRKGF-MRXNPFEDSA-N -1 1 304.415 3.565 20 0 DHADMM C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1cncc([O-])c1 ZINC000267039497 526022068 /nfs/dbraw/zinc/02/20/68/526022068.db2.gz OSQUCZUKJKFFJE-VXGBXAGGSA-N -1 1 318.804 3.705 20 0 DHADMM C[C@H](c1ccccn1)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180455178 526123867 /nfs/dbraw/zinc/12/38/67/526123867.db2.gz ALJPYBPGQCNZGG-SNVBAGLBSA-N -1 1 324.302 3.639 20 0 DHADMM O=C1CCc2ccc(NCc3cccc([O-])c3Cl)cc2N1 ZINC000339318985 526999791 /nfs/dbraw/zinc/99/97/91/526999791.db2.gz YVKCWOCHXJSSKK-UHFFFAOYSA-N -1 1 302.761 3.542 20 0 DHADMM O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1ccc2cncn2c1 ZINC000340003469 527109460 /nfs/dbraw/zinc/10/94/60/527109460.db2.gz CVVGANNGACUFRT-UHFFFAOYSA-N -1 1 322.151 3.599 20 0 DHADMM O=C([O-])CCN1Cc2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000238164480 527590537 /nfs/dbraw/zinc/59/05/37/527590537.db2.gz GHLBYUCFRSJBPE-QGZVFWFLSA-N -1 1 315.800 3.914 20 0 DHADMM Cc1nc([C@@H](C)N(C)CCC(=O)[O-])oc1-c1ccc(Cl)cc1 ZINC000576360325 597154590 /nfs/dbraw/zinc/15/45/90/597154590.db2.gz LEULQKFCMAQCPP-LLVKDONJSA-N -1 1 322.792 3.771 20 0 DHADMM Cc1ccc(C)c(CSc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000737322774 598386574 /nfs/dbraw/zinc/38/65/74/598386574.db2.gz NJFCWAVMASTOQT-UHFFFAOYSA-N -1 1 314.389 3.915 20 0 DHADMM Cc1ccccc1[C@H](CC(C)C)Nc1cccc(-c2nnn[n-]2)n1 ZINC000737418323 599437128 /nfs/dbraw/zinc/43/71/28/599437128.db2.gz AAYJIFQOTMVOCS-INIZCTEOSA-N -1 1 322.416 3.769 20 0 DHADMM Cc1ccccc1[C@H](CC(C)C)Nc1cccc(-c2nn[n-]n2)n1 ZINC000737418323 599437130 /nfs/dbraw/zinc/43/71/30/599437130.db2.gz AAYJIFQOTMVOCS-INIZCTEOSA-N -1 1 322.416 3.769 20 0 DHADMM COc1ccccc1[C@H]1CCCCN1Cc1ccc(C(=O)[O-])o1 ZINC000738130506 599992801 /nfs/dbraw/zinc/99/28/01/599992801.db2.gz RREZKAPMYKSXRU-OAHLLOKOSA-N -1 1 315.369 3.714 20 0 DHADMM CCN(Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)C(C)C ZINC000574816751 600127961 /nfs/dbraw/zinc/12/79/61/600127961.db2.gz TURORRSQNXUSIE-UHFFFAOYSA-N -1 1 304.415 3.739 20 0 DHADMM C[C@@H](c1ccc(F)c(Cl)c1)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000405369642 600296413 /nfs/dbraw/zinc/29/64/13/600296413.db2.gz XSVKLSFKMKUTJM-CMPLNLGQSA-N -1 1 311.784 3.727 20 0 DHADMM Cc1ccc(-c2cc(CNC3(C(=O)[O-])CCCCC3)on2)cc1 ZINC000738487594 600320488 /nfs/dbraw/zinc/32/04/88/600320488.db2.gz BVJCYYSXXPVMJY-UHFFFAOYSA-N -1 1 314.385 3.527 20 0 DHADMM Cc1oc(CN2CCS[C@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC000738979614 600412662 /nfs/dbraw/zinc/41/26/62/600412662.db2.gz OFDJCCBSCXOPFD-INIZCTEOSA-N -1 1 317.410 3.576 20 0 DHADMM CC[C@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1F ZINC000736919153 600453242 /nfs/dbraw/zinc/45/32/42/600453242.db2.gz FRXWIXPQDKSKMR-JKSUJKDBSA-N -1 1 323.314 3.971 20 0 DHADMM C[C@@H](NCc1cccc(OCC(=O)[O-])c1)c1ccccc1Cl ZINC000736664205 600639763 /nfs/dbraw/zinc/63/97/63/600639763.db2.gz LIDDFBXYOINRGM-GFCCVEGCSA-N -1 1 319.788 3.654 20 0 DHADMM CC(C)N(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)C1CC1 ZINC000652403584 600817909 /nfs/dbraw/zinc/81/79/09/600817909.db2.gz XHHGIUOTPWUXMU-UHFFFAOYSA-N -1 1 316.426 3.881 20 0 DHADMM C[C@H]1C[C@@H](c2ccccc2F)N(Cc2occc2C(=O)[O-])C1 ZINC000575995364 600840128 /nfs/dbraw/zinc/84/01/28/600840128.db2.gz MIQYZFHYMVTFRI-NHYWBVRUSA-N -1 1 303.333 3.700 20 0 DHADMM Cc1ccc([C@H]2C[C@H](C)CCN2Cc2occc2C(=O)[O-])o1 ZINC000578995268 600857482 /nfs/dbraw/zinc/85/74/82/600857482.db2.gz HBMGQPIRENSYLL-BXUZGUMPSA-N -1 1 303.358 3.852 20 0 DHADMM Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2ccc(C(=O)[O-])o2)o1 ZINC000832931479 600858213 /nfs/dbraw/zinc/85/82/13/600858213.db2.gz YMXYGMGPNIGCHN-SMDDNHRTSA-N -1 1 303.358 3.852 20 0 DHADMM Cc1cc(CN2CC[C@H](C)C[C@H]2c2ccco2)oc1C(=O)[O-] ZINC000652432506 600862144 /nfs/dbraw/zinc/86/21/44/600862144.db2.gz KTEATUWTXAVYQL-FZMZJTMJSA-N -1 1 303.358 3.852 20 0 DHADMM Cc1cccnc1[C@@H](N[C@@H](C)c1ccc(C(=O)[O-])o1)C(C)C ZINC000738785049 600956345 /nfs/dbraw/zinc/95/63/45/600956345.db2.gz GGHRGYSJEQUCKG-WFASDCNBSA-N -1 1 302.374 3.729 20 0 DHADMM Cc1nc(CN2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])sc1C ZINC000579973942 601548493 /nfs/dbraw/zinc/54/84/93/601548493.db2.gz QWRCEFQSOBNJMK-LSDHHAIUSA-N -1 1 322.474 3.615 20 0 DHADMM C[C@H](C(=O)[O-])[C@H](NCc1ccc(F)cc1F)c1ccccc1 ZINC000574622768 601654259 /nfs/dbraw/zinc/65/42/59/601654259.db2.gz VFFKWCFJMFMBSC-ZBEGNZNMSA-N -1 1 305.324 3.516 20 0 DHADMM C[C@H]1c2ccc(F)cc2CCN1Cc1ccsc1C(=O)[O-] ZINC000828528662 601829199 /nfs/dbraw/zinc/82/91/99/601829199.db2.gz XZNOHYABPZUQNQ-JTQLQIEISA-N -1 1 305.374 3.705 20 0 DHADMM C[C@@H]1c2ccc(F)cc2CCN1Cc1ccsc1C(=O)[O-] ZINC000828528663 601829235 /nfs/dbraw/zinc/82/92/35/601829235.db2.gz XZNOHYABPZUQNQ-SNVBAGLBSA-N -1 1 305.374 3.705 20 0 DHADMM O=C([O-])N1CCc2cccc(CNCc3ccc(Cl)cc3)c21 ZINC000832087593 603847916 /nfs/dbraw/zinc/84/79/16/603847916.db2.gz XXNRPLSYAJXXSY-UHFFFAOYSA-N -1 1 316.788 3.670 20 0 DHADMM O=C([O-])c1cc(CN2CCC[C@@H]2c2ccccc2Cl)c[nH]1 ZINC000833779207 604535815 /nfs/dbraw/zinc/53/58/15/604535815.db2.gz KUJWHYTYPJHHPE-OAHLLOKOSA-N -1 1 304.777 3.703 20 0 DHADMM C[C@@H](Oc1ccc(CN2Cc3ccccc3[C@@H]2C)cc1)C(=O)[O-] ZINC000833540145 604655349 /nfs/dbraw/zinc/65/53/49/604655349.db2.gz KGQOIAZEJQLOIN-UONOGXRCSA-N -1 1 311.381 3.615 20 0 DHADMM O=C([O-])c1cc(CN2CCc3cc(-c4ccccc4)oc3C2)c[nH]1 ZINC000833779449 604684468 /nfs/dbraw/zinc/68/44/68/604684468.db2.gz LCFSJPQAPYXPOH-UHFFFAOYSA-N -1 1 322.364 3.531 20 0 DHADMM CC(C)CCOC1CCN(Cc2ccc(C(=O)[O-])cc2F)CC1 ZINC000833484857 604750683 /nfs/dbraw/zinc/75/06/83/604750683.db2.gz XNLSPLKNHCPMQI-UHFFFAOYSA-N -1 1 323.408 3.551 20 0 DHADMM CC(C)(C(=O)[O-])[C@@H](NCc1cccnc1Cl)c1ccccc1 ZINC000833414108 604866237 /nfs/dbraw/zinc/86/62/37/604866237.db2.gz LQUHUCQTVAJGIV-AWEZNQCLSA-N -1 1 318.804 3.677 20 0 DHADMM CC(C)(C(=O)[O-])[C@H](NCc1cccnc1Cl)c1ccccc1 ZINC000833414110 604866326 /nfs/dbraw/zinc/86/63/26/604866326.db2.gz LQUHUCQTVAJGIV-CQSZACIVSA-N -1 1 318.804 3.677 20 0 DHADMM CC(C)(NCc1ccc(C(=O)[O-])cc1F)c1cccc(F)c1 ZINC000833461453 605142128 /nfs/dbraw/zinc/14/21/28/605142128.db2.gz XLRRMQADVKVWDP-UHFFFAOYSA-N -1 1 305.324 3.688 20 0 DHADMM CC(C)(C)C[C@H](Sc1nc(-c2ccccc2F)n[nH]1)C(=O)[O-] ZINC000833430351 605148144 /nfs/dbraw/zinc/14/81/44/605148144.db2.gz VZCAJKLZPGSAEA-NSHDSACASA-N -1 1 323.393 3.592 20 0 DHADMM C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc(F)cc1C(=O)[O-] ZINC000833606226 605703341 /nfs/dbraw/zinc/70/33/41/605703341.db2.gz OFEYPSKZIQPQEQ-GXSJLCMTSA-N -1 1 319.298 3.687 20 0 DHADMM O=C([O-])N[C@H]1C[C@@H](NCc2ccc(Cl)s2)c2ccccc21 ZINC000834158621 605795302 /nfs/dbraw/zinc/79/53/02/605795302.db2.gz OLDYAANTMHJVOV-OLZOCXBDSA-N -1 1 322.817 3.945 20 0 DHADMM O=C([O-])N[C@H]1C[C@H](NCc2cc(F)ccc2F)c2ccccc21 ZINC000834156458 605797182 /nfs/dbraw/zinc/79/71/82/605797182.db2.gz AGOIXEJEOIKLLV-HOTGVXAUSA-N -1 1 318.323 3.508 20 0 DHADMM CCc1ccc([C@H](C)NCc2cc(C(=O)[O-])ccc2F)cc1 ZINC000317886268 605842925 /nfs/dbraw/zinc/84/29/25/605842925.db2.gz PXIMZFKBRMBLEX-LBPRGKRZSA-N -1 1 301.361 3.937 20 0 DHADMM C[C@@H](NCc1cccc(NC(=O)[O-])c1)c1ccc(F)cc1F ZINC000833895427 605968820 /nfs/dbraw/zinc/96/88/20/605968820.db2.gz DEGYRTOWHQCSQT-SNVBAGLBSA-N -1 1 306.312 3.906 20 0 DHADMM Cc1cc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)ccc1Cl ZINC000822211750 606438808 /nfs/dbraw/zinc/43/88/08/606438808.db2.gz NEQHRTVMXQBKBH-UHFFFAOYSA-N -1 1 322.155 3.669 20 0 DHADMM Cc1cc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)ccc1Cl ZINC000822211750 606438810 /nfs/dbraw/zinc/43/88/10/606438810.db2.gz NEQHRTVMXQBKBH-UHFFFAOYSA-N -1 1 322.155 3.669 20 0 DHADMM Cc1ccccc1CSc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000822362422 606440710 /nfs/dbraw/zinc/44/07/10/606440710.db2.gz SIACCAWUVURZMQ-UHFFFAOYSA-N -1 1 317.805 3.516 20 0 DHADMM Cc1ccccc1CSc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000822362422 606440712 /nfs/dbraw/zinc/44/07/12/606440712.db2.gz SIACCAWUVURZMQ-UHFFFAOYSA-N -1 1 317.805 3.516 20 0 DHADMM CC(C)CCCSc1snc(Cl)c1-c1nnn[n-]1 ZINC000824244797 609170904 /nfs/dbraw/zinc/17/09/04/609170904.db2.gz UCXPXQQSSHTMHU-UHFFFAOYSA-N -1 1 303.844 3.505 20 0 DHADMM CC(C)CCCSc1snc(Cl)c1-c1nn[n-]n1 ZINC000824244797 609170906 /nfs/dbraw/zinc/17/09/06/609170906.db2.gz UCXPXQQSSHTMHU-UHFFFAOYSA-N -1 1 303.844 3.505 20 0 DHADMM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1cncc([O-])c1 ZINC000339906407 1013052154 /nfs/dbraw/zinc/05/21/54/1013052154.db2.gz WETZYDHAAHBPHH-AWEZNQCLSA-N -1 1 310.397 3.791 20 0 DHADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ncccc2Cl)cc1 ZINC000180195051 1013057786 /nfs/dbraw/zinc/05/77/86/1013057786.db2.gz SPYTWYHITARDIT-UHFFFAOYSA-N -1 1 324.833 3.833 20 0 DHADMM O=C([O-])c1ccc(CNCc2cc(F)c(Cl)cc2F)cc1 ZINC001595231102 949348444 /nfs/dbraw/zinc/34/84/44/949348444.db2.gz ZHRLFUJOERWOAM-UHFFFAOYSA-N -1 1 311.715 3.606 20 0 DHADMM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2csc(C3CCCCC3)n2)C1 ZINC000263369985 950410794 /nfs/dbraw/zinc/41/07/94/950410794.db2.gz VCTQEHZTNHHCBA-JSGCOSHPSA-N -1 1 322.474 3.733 20 0 DHADMM O=C([O-])C[C@H]1CCCN(Cc2ccc(F)cc2C(F)(F)F)C1 ZINC000316758493 950890139 /nfs/dbraw/zinc/89/01/39/950890139.db2.gz KACINNNBNBAMRV-SNVBAGLBSA-N -1 1 319.298 3.531 20 0 DHADMM C[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)C[C@@H]1C(=O)[O-] ZINC000647368235 953956545 /nfs/dbraw/zinc/95/65/45/953956545.db2.gz LCMXEUIHQPLOGI-SKDRFNHKSA-N -1 1 302.201 3.536 20 0 DHADMM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccc(-c2cccc(F)c2F)o1 ZINC000650794748 954031256 /nfs/dbraw/zinc/03/12/56/954031256.db2.gz GQPBMRFQSVJVOW-QMTHXVAHSA-N -1 1 321.323 3.662 20 0 DHADMM CC[C@@H](C)N(Cc1nc(C(=O)[O-])cs1)Cc1ccccc1 ZINC000387174361 972109453 /nfs/dbraw/zinc/10/94/53/972109453.db2.gz BYHTWQRXEUMKQK-GFCCVEGCSA-N -1 1 304.415 3.642 20 0 DHADMM C[C@H](N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccc(Cl)cn1 ZINC001589123152 956144942 /nfs/dbraw/zinc/14/49/42/956144942.db2.gz JACMQRCYIALFGD-JJMVLAAESA-N -1 1 316.788 3.699 20 0 DHADMM C[C@H](N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)c1ccncc1Cl ZINC001589124183 956155216 /nfs/dbraw/zinc/15/52/16/956155216.db2.gz RHCPVNSNHWURCK-JMPLFQLZSA-N -1 1 316.788 3.699 20 0 DHADMM C[C@]1(C(=O)[O-])CCCN(Cc2csc(-c3ccsc3)n2)C1 ZINC000062876940 957624038 /nfs/dbraw/zinc/62/40/38/957624038.db2.gz OYAUPLJLKOTYKC-HNNXBMFYSA-N -1 1 322.455 3.558 20 0 DHADMM Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2cncc([O-])c2)cc1 ZINC000339955038 1013163985 /nfs/dbraw/zinc/16/39/85/1013163985.db2.gz IUTOTDUWNXZHDE-RDTXWAMCSA-N -1 1 310.397 3.709 20 0 DHADMM O=C([O-])[C@@H](c1ccccc1Cl)N1CCc2ccsc2C1 ZINC000091693024 958150053 /nfs/dbraw/zinc/15/00/53/958150053.db2.gz WZYLEYOEGIPXKY-CQSZACIVSA-N -1 1 307.802 3.586 20 0 DHADMM O=C([O-])[C@H]1c2ccccc2CCN1Cc1cc(Cl)cs1 ZINC000093097120 958236967 /nfs/dbraw/zinc/23/69/67/958236967.db2.gz WESWGBWVCBQHRX-CQSZACIVSA-N -1 1 307.802 3.586 20 0 DHADMM CC(C)N(CCc1ccccc1)C(=O)c1ccc([O-])cc1F ZINC001625852088 1013243856 /nfs/dbraw/zinc/24/38/56/1013243856.db2.gz IZZSQWARKLCPJJ-UHFFFAOYSA-N -1 1 301.361 3.625 20 0 DHADMM CC(C)c1c(Cc2ccccc2)[n-]n([C@@H](C)c2ccncc2)c1=O ZINC000634627056 1013292865 /nfs/dbraw/zinc/29/28/65/1013292865.db2.gz UCGPXSNXIRUOKY-HNAYVOBHSA-N -1 1 321.424 3.856 20 0 DHADMM CC(C)n1c(CNCc2ccccc2C(=O)[O-])nc2ccccc21 ZINC001588980943 962721482 /nfs/dbraw/zinc/72/14/82/962721482.db2.gz PAPAMNUUXRINAJ-UHFFFAOYSA-N -1 1 323.396 3.605 20 0 DHADMM C[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)CC[C@H]1C(=O)[O-] ZINC000311510113 963485922 /nfs/dbraw/zinc/48/59/22/963485922.db2.gz BWYFIMDZSGXMFK-GXSJLCMTSA-N -1 1 302.201 3.536 20 0 DHADMM CC(C)OCc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000340330116 1013498287 /nfs/dbraw/zinc/49/82/87/1013498287.db2.gz QNTOUMHJGHQOFU-UHFFFAOYSA-N -1 1 303.333 3.709 20 0 DHADMM [O-]c1ccc(-c2noc(C[C@@]34CCCC[C@@H]3C4(F)F)n2)cc1F ZINC000664849062 1013499631 /nfs/dbraw/zinc/49/96/31/1013499631.db2.gz BKQCCQZXJIVSDF-WFASDCNBSA-N -1 1 324.302 3.949 20 0 DHADMM CSc1ccc(CN[C@H](CC(=O)[O-])c2ccc(C)o2)cc1 ZINC000426769979 1013500947 /nfs/dbraw/zinc/50/09/47/1013500947.db2.gz NPKQPJVUDRTWRD-CQSZACIVSA-N -1 1 305.399 3.616 20 0 DHADMM C[C@H]1CCN(Cc2csc(C3CCCCC3)n2)C[C@@H]1C(=O)[O-] ZINC000577395652 968463369 /nfs/dbraw/zinc/46/33/69/968463369.db2.gz OOOWAEZOLXRBCA-WFASDCNBSA-N -1 1 322.474 3.733 20 0 DHADMM C[C@@H]1CCN(Cc2csc(C3CCCCC3)n2)C[C@H]1C(=O)[O-] ZINC000577395650 968464023 /nfs/dbraw/zinc/46/40/23/968464023.db2.gz OOOWAEZOLXRBCA-IUODEOHRSA-N -1 1 322.474 3.733 20 0 DHADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)c1C ZINC000317355077 1014071572 /nfs/dbraw/zinc/07/15/72/1014071572.db2.gz HZGYGYNCJHBVBF-UHFFFAOYSA-N -1 1 321.446 3.568 20 0 DHADMM Cc1ccc2cc(CN[C@H](C(=O)[O-])c3ccccc3F)ccc2n1 ZINC000426766881 974047042 /nfs/dbraw/zinc/04/70/42/974047042.db2.gz HTEGCNQIXSBWKF-SFHVURJKSA-N -1 1 324.355 3.598 20 0 DHADMM CC(C)CN(C)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000520823491 974341550 /nfs/dbraw/zinc/34/15/50/974341550.db2.gz IAXLNOORUXDXMU-UHFFFAOYSA-N -1 1 304.415 3.596 20 0 DHADMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1csc(C(C)(C)C)n1 ZINC000530177046 974363567 /nfs/dbraw/zinc/36/35/67/974363567.db2.gz WKRJEGQMEWOIMV-QWRGUYRKSA-N -1 1 310.463 3.514 20 0 DHADMM COc1cccc([C@@H]2CCCN2Cc2cc(C(=O)[O-])c(C)o2)c1 ZINC000563631076 974536688 /nfs/dbraw/zinc/53/66/88/974536688.db2.gz ONQVYKIAYVZORS-KRWDZBQOSA-N -1 1 315.369 3.632 20 0 DHADMM O=C([O-])c1ccc(CN2CCC[C@@H]2c2cccs2)c(F)c1 ZINC000565103819 974570645 /nfs/dbraw/zinc/57/06/45/974570645.db2.gz KQNCCKLAYGWYRT-CQSZACIVSA-N -1 1 305.374 3.923 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N(Cc1c(F)cccc1F)C1CC1 ZINC000190027327 1014231305 /nfs/dbraw/zinc/23/13/05/1014231305.db2.gz RPCJDMDFZJHQNY-UHFFFAOYSA-N -1 1 321.298 3.614 20 0 DHADMM Cc1cc([C@H](C)N2C[C@@H](C)OC3(CCCCC3)C2)oc1C(=O)[O-] ZINC000656192466 975645819 /nfs/dbraw/zinc/64/58/19/975645819.db2.gz VOMVQLMOCNEOIJ-KGLIPLIRSA-N -1 1 321.417 3.771 20 0 DHADMM Cc1oc(CN(Cc2ccccc2F)CC2CC2)cc1C(=O)[O-] ZINC000656764757 975696696 /nfs/dbraw/zinc/69/66/96/975696696.db2.gz FADVIKAUPYBQFC-UHFFFAOYSA-N -1 1 317.360 3.838 20 0 DHADMM CC(C)c1[nH]c(CN(Cc2ccccn2)C(C)C)cc1C(=O)[O-] ZINC001591910457 976319027 /nfs/dbraw/zinc/31/90/27/976319027.db2.gz FPWYFIDEJDYNTP-UHFFFAOYSA-N -1 1 315.417 3.642 20 0 DHADMM CC(C)(C)NC(=O)c1ccc(-c2cc(F)c([O-])cc2F)cc1 ZINC001211339905 1014358237 /nfs/dbraw/zinc/35/82/37/1014358237.db2.gz QLOLUWKFNRHDFT-UHFFFAOYSA-N -1 1 305.324 3.866 20 0 DHADMM COC(=O)c1cc2cc(-c3cc(F)c([O-])cc3F)ccc2[nH]1 ZINC001211340249 1014361376 /nfs/dbraw/zinc/36/13/76/1014361376.db2.gz USUQACAVHYXBGJ-UHFFFAOYSA-N -1 1 303.264 3.605 20 0 DHADMM CC1(NC(=O)c2ccc(Cl)cc2[O-])CCC(F)(F)CC1 ZINC000680048385 1014437387 /nfs/dbraw/zinc/43/73/87/1014437387.db2.gz PYBIENLYELACOB-UHFFFAOYSA-N -1 1 303.736 3.743 20 0 DHADMM CSCC1CCN(Cc2cccc(C(=O)[O-])c2Cl)CC1 ZINC000719232802 977997088 /nfs/dbraw/zinc/99/70/88/977997088.db2.gz RUGUKYMXFINFSC-UHFFFAOYSA-N -1 1 313.850 3.613 20 0 DHADMM Cc1ccc(-c2noc(/C(C#N)=C/c3ccc([O-])cc3)n2)cc1 ZINC000007212202 1014486206 /nfs/dbraw/zinc/48/62/06/1014486206.db2.gz JWPRQXPMEFSREI-XNTDXEJSSA-N -1 1 303.321 3.815 20 0 DHADMM O=C([O-])[C@@]1(F)CCN(Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000901516179 980334746 /nfs/dbraw/zinc/33/47/46/980334746.db2.gz RMIDCGRXCIWICP-MRXNPFEDSA-N -1 1 323.364 3.553 20 0 DHADMM Cc1ccc(-c2n[nH]c(NC(=O)CC[C@H](C)c3ccccc3)n2)o1 ZINC000442272051 1014653298 /nfs/dbraw/zinc/65/32/98/1014653298.db2.gz SHZSSGKVUQAQHY-LBPRGKRZSA-N -1 1 324.384 3.896 20 0 DHADMM CC[C@H](NCc1cc(C(=O)[O-])c(C)n1C)c1ccc(F)cc1F ZINC001595298881 980421849 /nfs/dbraw/zinc/42/18/49/980421849.db2.gz WXFRDKIOLMCJHC-INIZCTEOSA-N -1 1 322.355 3.551 20 0 DHADMM CC[C@H](NCc1cc(F)ccc1OC)c1ccc(C(=O)[O-])cc1 ZINC001595299171 980424591 /nfs/dbraw/zinc/42/45/91/980424591.db2.gz LXLUXYPSEBDYRI-INIZCTEOSA-N -1 1 317.360 3.773 20 0 DHADMM CC[C@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccsc1 ZINC001595300141 980433400 /nfs/dbraw/zinc/43/34/00/980433400.db2.gz NIWSIUUBJBJCPZ-LBPRGKRZSA-N -1 1 310.806 3.736 20 0 DHADMM CC[C@@H](NCc1cn2cc(C)ccc2n1)c1ccc(C(=O)[O-])cc1 ZINC001595305305 980444414 /nfs/dbraw/zinc/44/44/14/980444414.db2.gz NHIXJQRCHLOVEF-QGZVFWFLSA-N -1 1 323.396 3.582 20 0 DHADMM CC[C@@H](NCc1nc2cc(C(=O)[O-])ccc2[nH]1)c1ccc(C)cc1 ZINC001595305423 980446181 /nfs/dbraw/zinc/44/61/81/980446181.db2.gz HSRMERUVYJDOMS-OAHLLOKOSA-N -1 1 323.396 3.810 20 0 DHADMM Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1ccoc1C(=O)[O-] ZINC000902133221 980751664 /nfs/dbraw/zinc/75/16/64/980751664.db2.gz VPMXSEJLQFQIBR-CYBMUJFWSA-N -1 1 303.358 3.683 20 0 DHADMM CCOc1cccc([C@H](C)NCc2ccc(/C=C/C(=O)[O-])o2)c1 ZINC000902166351 980764000 /nfs/dbraw/zinc/76/40/00/980764000.db2.gz VKFJJDHHPFVPSD-LXKVQUBZSA-N -1 1 315.369 3.627 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CN[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000902175521 980769036 /nfs/dbraw/zinc/76/90/36/980769036.db2.gz HAYZNJKONVXQPX-LBPRGKRZSA-N -1 1 317.385 3.924 20 0 DHADMM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1cc2cnccc2o1 ZINC001595363212 980779549 /nfs/dbraw/zinc/77/95/49/980779549.db2.gz YEXDXNJONNPDEJ-KRWDZBQOSA-N -1 1 324.380 3.866 20 0 DHADMM O=C([O-])c1coc(CNCc2ccc(OC3CCCC3)cc2)c1 ZINC000902204144 980781854 /nfs/dbraw/zinc/78/18/54/980781854.db2.gz WWXSOACOQCIRNR-UHFFFAOYSA-N -1 1 315.369 3.589 20 0 DHADMM O=C([O-])c1cc(CN[C@H](c2ccc(Cl)cc2)C2CCC2)on1 ZINC000902226783 980791380 /nfs/dbraw/zinc/79/13/80/980791380.db2.gz ZWMQXKPWZTTWII-HNNXBMFYSA-N -1 1 320.776 3.657 20 0 DHADMM Cc1cc(CN[C@H]2c3cccc(F)c3CC[C@@H]2C)oc1C(=O)[O-] ZINC000902287093 980818849 /nfs/dbraw/zinc/81/88/49/980818849.db2.gz VQKSTUUFRHTOJG-MGPLVRAMSA-N -1 1 317.360 3.839 20 0 DHADMM CC[C@@](C)(NCc1cc(C(=O)[O-])cs1)c1nc(C)cs1 ZINC000902294269 980821367 /nfs/dbraw/zinc/82/13/67/980821367.db2.gz WAMAUYKICWRGDW-CQSZACIVSA-N -1 1 310.444 3.626 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CNC(C)(C)c1ccc(F)c(F)c1 ZINC000902343052 980841803 /nfs/dbraw/zinc/84/18/03/980841803.db2.gz YMTRTIABEAWPIH-UHFFFAOYSA-N -1 1 309.312 3.589 20 0 DHADMM Cc1cc(CN[C@H]2CCc3ccc(Cl)cc32)oc1C(=O)[O-] ZINC000902367358 980856815 /nfs/dbraw/zinc/85/68/15/980856815.db2.gz BNBYYRAKZDLVHG-AWEZNQCLSA-N -1 1 305.761 3.717 20 0 DHADMM CSc1ccccc1[C@@H](C)NCc1cc(C(=O)[O-])c(C)o1 ZINC000902380769 980863843 /nfs/dbraw/zinc/86/38/43/980863843.db2.gz KKFKTLXJWIZVFH-SNVBAGLBSA-N -1 1 305.399 3.859 20 0 DHADMM Cc1cc(CN[C@H]2CCCc3ccc(F)cc32)oc1C(=O)[O-] ZINC000902399144 980870433 /nfs/dbraw/zinc/87/04/33/980870433.db2.gz YOGIPSJGNZFDAR-HNNXBMFYSA-N -1 1 303.333 3.593 20 0 DHADMM O=C([O-])/C=C\c1ccc(CN[C@@H]2CCCc3ccc(F)cc32)o1 ZINC000902445062 980890931 /nfs/dbraw/zinc/89/09/31/980890931.db2.gz MRUKUCDYRDQGJI-XZVRFQMRSA-N -1 1 315.344 3.684 20 0 DHADMM Cc1ccccc1[C@]1(F)CCN(Cc2csc(C(=O)[O-])c2)C1 ZINC000902452057 980893985 /nfs/dbraw/zinc/89/39/85/980893985.db2.gz HSEULCGMOFMEOI-KRWDZBQOSA-N -1 1 319.401 3.825 20 0 DHADMM CCc1oc(CN2CCC[C@H]2c2cccs2)cc1C(=O)[O-] ZINC000902507495 980914062 /nfs/dbraw/zinc/91/40/62/980914062.db2.gz DVVLQTYVAOJZRS-ZDUSSCGKSA-N -1 1 305.399 3.939 20 0 DHADMM COc1ccc2occ(C(=O)Nc3ccc(F)cc3[O-])c2c1 ZINC000442570600 1014701646 /nfs/dbraw/zinc/70/16/46/1014701646.db2.gz SKJYNGMOPRXPNA-UHFFFAOYSA-N -1 1 301.273 3.538 20 0 DHADMM C[C@H](NCc1ccc(C(=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000905718721 981121829 /nfs/dbraw/zinc/12/18/29/981121829.db2.gz LLYOSSWQGBZMAY-JTQLQIEISA-N -1 1 324.302 3.649 20 0 DHADMM O=C([O-])c1ccc(CNC2(c3ccc(Cl)cc3)CCC2)nc1 ZINC000905725951 981123500 /nfs/dbraw/zinc/12/35/00/981123500.db2.gz ANLYYRXWEXWKLL-UHFFFAOYSA-N -1 1 316.788 3.602 20 0 DHADMM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)c1ccccn1 ZINC000905756249 981143701 /nfs/dbraw/zinc/14/37/01/981143701.db2.gz WXDREIYLQFZVFS-IINYFYTJSA-N -1 1 324.302 3.577 20 0 DHADMM CC(=O)Nc1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC000048369296 1014709254 /nfs/dbraw/zinc/70/92/54/1014709254.db2.gz WAHJXBBKVOVCCE-UHFFFAOYSA-N -1 1 312.369 3.726 20 0 DHADMM CC(C)(C)c1coc(CN[C@H]2CCC[C@@H](CCCC(=O)[O-])C2)n1 ZINC000905790431 981151784 /nfs/dbraw/zinc/15/17/84/981151784.db2.gz SRDIVQRPJNKIOC-KBPBESRZSA-N -1 1 322.449 3.875 20 0 DHADMM CCc1cccc2cc(CN[C@@H](CC(=O)[O-])c3ccncc3)oc21 ZINC000656568727 1014875333 /nfs/dbraw/zinc/87/53/33/1014875333.db2.gz ILHKBIWQSBLEMA-KRWDZBQOSA-N -1 1 324.380 3.696 20 0 DHADMM CCCN(Cc1ccsc1C(=O)[O-])Cc1ccccc1F ZINC001595891182 982924925 /nfs/dbraw/zinc/92/49/25/982924925.db2.gz NSFZZPQXBJUZLJ-UHFFFAOYSA-N -1 1 307.390 3.998 20 0 DHADMM CC[N@@H+](CCSC)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001596347154 983797121 /nfs/dbraw/zinc/79/71/21/983797121.db2.gz FJIHFEOTYPNQOE-GFCCVEGCSA-N -1 1 322.257 3.804 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H]1c1cccc(F)c1 ZINC000094032602 1015004567 /nfs/dbraw/zinc/00/45/67/1015004567.db2.gz BJQHIPIXQSVACB-OAHLLOKOSA-N -1 1 303.308 3.648 20 0 DHADMM C/C(=C/c1ccccc1)CN(C)Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001589003496 984953040 /nfs/dbraw/zinc/95/30/40/984953040.db2.gz BREBTZBEEBXKPX-MRZBGHJPSA-N -1 1 311.381 3.913 20 0 DHADMM Cc1ccccc1CS(=O)(=O)[N-]c1nccc(C)c1C1CC1 ZINC000656738283 1015107860 /nfs/dbraw/zinc/10/78/60/1015107860.db2.gz ICMUGEWWFACHAA-UHFFFAOYSA-N -1 1 316.426 3.518 20 0 DHADMM C[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ccc(F)cc1F ZINC000142884728 1015116126 /nfs/dbraw/zinc/11/61/26/1015116126.db2.gz LKFIYRWUHOTISU-MRVPVSSYSA-N -1 1 311.715 3.815 20 0 DHADMM O=C1N[C@H](c2cccc(Cl)c2[O-])Nc2ccc(Cl)cc21 ZINC000121423609 1015188394 /nfs/dbraw/zinc/18/83/94/1015188394.db2.gz IOCYXGCGNJGREG-CYBMUJFWSA-N -1 1 309.152 3.553 20 0 DHADMM CCOc1cc(F)cc(CN(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC001597037124 986481016 /nfs/dbraw/zinc/48/10/16/986481016.db2.gz VYYWVPALJMIQMX-UHFFFAOYSA-N -1 1 317.360 3.555 20 0 DHADMM CCOc1ccc2nc(S[C@@H](C(=O)[O-])[C@@H](C)CC)[nH]c2c1 ZINC001597145593 986907325 /nfs/dbraw/zinc/90/73/25/986907325.db2.gz IRPZPAQOBKNTLH-TVQRCGJNSA-N -1 1 308.403 3.553 20 0 DHADMM CCSc1ccc(CNCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001597272540 987322638 /nfs/dbraw/zinc/32/26/38/987322638.db2.gz KEZZCOWMRNLGES-UHFFFAOYSA-N -1 1 319.401 3.926 20 0 DHADMM CC(C)(C)C[C@@H]1CCN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)C1 ZINC001589764726 988106804 /nfs/dbraw/zinc/10/68/04/988106804.db2.gz UWRNANAJOIXBBB-LBPRGKRZSA-N -1 1 315.417 3.519 20 0 DHADMM CCc1oc(CN2CC([C@@H]3CCC[C@@H](C)C3)C2)cc1C(=O)[O-] ZINC001597795453 989344383 /nfs/dbraw/zinc/34/43/83/989344383.db2.gz AYWNCHDRQBEPJS-CHWSQXEVSA-N -1 1 305.418 3.798 20 0 DHADMM C[C@@H]1C[C@@H](NCc2ccc(C(=O)[O-])cc2F)c2ccccc2O1 ZINC001599871327 989354351 /nfs/dbraw/zinc/35/43/51/989354351.db2.gz ZTCIRSGQTWORQG-BDJLRTHQSA-N -1 1 315.344 3.526 20 0 DHADMM CCc1oc(CN(Cc2ccc(F)cc2)C2CC2)cc1C(=O)[O-] ZINC001597796761 989356454 /nfs/dbraw/zinc/35/64/54/989356454.db2.gz QXGODMNRYFTPEF-UHFFFAOYSA-N -1 1 317.360 3.844 20 0 DHADMM CCc1oc(CN2CCc3ccccc3C2(C)C)cc1C(=O)[O-] ZINC001597798347 989365351 /nfs/dbraw/zinc/36/53/51/989365351.db2.gz BIEZTFIEHUVXKY-UHFFFAOYSA-N -1 1 313.397 3.834 20 0 DHADMM CCc1oc(CN[C@@H]2CCCc3c(F)cccc32)cc1C(=O)[O-] ZINC001597799435 989382817 /nfs/dbraw/zinc/38/28/17/989382817.db2.gz QQODZFHJLLCTAK-MRXNPFEDSA-N -1 1 317.360 3.847 20 0 DHADMM CC(C)(C)c1ccc(CNCc2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC001590486625 990085302 /nfs/dbraw/zinc/08/53/02/990085302.db2.gz ADIMOQUBXZIDHT-KHPPLWFESA-N -1 1 313.397 3.965 20 0 DHADMM O=C(NCc1ccc([O-])c(Cl)c1)N(Cc1ccoc1)C1CC1 ZINC000896311367 1015547116 /nfs/dbraw/zinc/54/71/16/1015547116.db2.gz QCAGEOXLJDQAMJ-UHFFFAOYSA-N -1 1 320.776 3.513 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1C(F)(F)F ZINC000581916619 1015549238 /nfs/dbraw/zinc/54/92/38/1015549238.db2.gz HWWOXGLWQZYFQQ-UHFFFAOYSA-N -1 1 315.316 3.815 20 0 DHADMM COc1cccc(-c2noc([N-][C@@H]3CCCc4cccnc43)n2)c1 ZINC000896413231 1015574400 /nfs/dbraw/zinc/57/44/00/1015574400.db2.gz MRSKHSVSQZSGRA-OAHLLOKOSA-N -1 1 322.368 3.630 20 0 DHADMM FC(F)(F)c1nc(=NCCCSc2ccccc2)s[n-]1 ZINC000553240248 1033636661 /nfs/dbraw/zinc/63/66/61/1033636661.db2.gz ZCMHOTPJHWYBEL-UHFFFAOYSA-N -1 1 319.377 3.573 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCC[C@H]1C(C)(C)C ZINC000840540254 1015592475 /nfs/dbraw/zinc/59/24/75/1015592475.db2.gz RUIPCNAGWPDSDP-CHWSQXEVSA-N -1 1 319.449 3.559 20 0 DHADMM COc1ccccc1C1(NCc2ccc(C(=O)[O-])s2)CCC1 ZINC001599703326 991255077 /nfs/dbraw/zinc/25/50/77/991255077.db2.gz FAMKTAWLITTZFS-UHFFFAOYSA-N -1 1 317.410 3.624 20 0 DHADMM CN(C(=O)c1cc(F)ccc1[O-])[C@H]1CCC[C@@H]1c1ccccc1 ZINC000458035559 1015633222 /nfs/dbraw/zinc/63/32/22/1015633222.db2.gz YGWHGJNNQRQVPY-WBVHZDCISA-N -1 1 313.372 3.940 20 0 DHADMM CC(C)[C@@H](c1ccccc1)N(C)Cc1ncc(C(=O)[O-])s1 ZINC001591058842 991478242 /nfs/dbraw/zinc/47/82/42/991478242.db2.gz VLNHVKFYVBEQGT-HNNXBMFYSA-N -1 1 304.415 3.670 20 0 DHADMM CC(C)[C@@H]1N([C@@H](C)c2ncc(C(=O)[O-])s2)CC12CCCC2 ZINC001591100323 991722372 /nfs/dbraw/zinc/72/23/72/991722372.db2.gz VWNBURIMPSFADB-AAEUAGOBSA-N -1 1 308.447 3.803 20 0 DHADMM CC(C)Cc1ccc(CN(C)Cc2ccc(C(=O)[O-])cn2)cc1 ZINC001591483529 992604301 /nfs/dbraw/zinc/60/43/01/992604301.db2.gz JGGKGOVMZTVPSK-UHFFFAOYSA-N -1 1 312.413 3.610 20 0 DHADMM CC[C@@H]1CCc2c(sc3nc(-c4cc(C)on4)[n-]c(=O)c23)C1 ZINC000684558192 1015736763 /nfs/dbraw/zinc/73/67/63/1015736763.db2.gz DUNBTKNRWMMPBM-SECBINFHSA-N -1 1 315.398 3.875 20 0 DHADMM CC(C)c1occc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000684562739 1015749613 /nfs/dbraw/zinc/74/96/13/1015749613.db2.gz AMDLCZZJJXWANG-UHFFFAOYSA-N -1 1 311.341 3.751 20 0 DHADMM CCOc1cc(C(=O)N[C@@H]2C[C@]2(C)C(C)C)cc(Cl)c1[O-] ZINC000458162877 1015809421 /nfs/dbraw/zinc/80/94/21/1015809421.db2.gz YHVGBPVALJJMAJ-CZUORRHYSA-N -1 1 311.809 3.609 20 0 DHADMM CCOc1cc(C(=O)N[C@H]2C[C@]2(C)C(C)C)cc(Cl)c1[O-] ZINC000458162880 1015809504 /nfs/dbraw/zinc/80/95/04/1015809504.db2.gz YHVGBPVALJJMAJ-XJKSGUPXSA-N -1 1 311.809 3.609 20 0 DHADMM C[C@H](N[C@@H](C)c1ccc2c(c1)CCCO2)c1ccc(C(=O)[O-])o1 ZINC001593198857 994175412 /nfs/dbraw/zinc/17/54/12/994175412.db2.gz VCISFLQABWFUIF-RYUDHWBXSA-N -1 1 315.369 3.715 20 0 DHADMM C[C@H](NCc1ccc(C(=O)[O-])cn1)c1ccc(F)c2ccccc21 ZINC001593297643 994704839 /nfs/dbraw/zinc/70/48/39/994704839.db2.gz XKIZRPGILDQINR-LBPRGKRZSA-N -1 1 324.355 3.923 20 0 DHADMM C[C@@H](N[C@@H](C)c1ccccc1Cl)c1cncc(C(=O)[O-])c1 ZINC001593353262 994975893 /nfs/dbraw/zinc/97/58/93/994975893.db2.gz ROOHNRXEFXWJPH-MNOVXSKESA-N -1 1 304.777 3.845 20 0 DHADMM C[C@@H](c1cccc(Cl)c1F)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC001593699810 996172379 /nfs/dbraw/zinc/17/23/79/996172379.db2.gz ZVQISQAQMPVOFQ-JQWIXIFHSA-N -1 1 311.784 3.727 20 0 DHADMM C[C@@H](c1cccs1)N(C)Cc1cc(C(=O)[O-])c2n1CCCC2 ZINC001593723077 996254247 /nfs/dbraw/zinc/25/42/47/996254247.db2.gz HJNROPKCHGVDTC-LBPRGKRZSA-N -1 1 318.442 3.777 20 0 DHADMM C[C@H](c1ncc(C(=O)[O-])s1)N(C)CCCCc1ccccc1 ZINC001593732429 996312807 /nfs/dbraw/zinc/31/28/07/996312807.db2.gz ULEDONCNGAXUMR-CYBMUJFWSA-N -1 1 318.442 3.857 20 0 DHADMM CC1(C)CN(Cc2ccc(/C=C/C(=O)[O-])o2)[C@@H]1c1ccccc1 ZINC001593942838 996972802 /nfs/dbraw/zinc/97/28/02/996972802.db2.gz QSYCWGNHQUDRGX-DOJUMQAQSA-N -1 1 311.381 3.961 20 0 DHADMM CCc1cc(=O)[n-]c(SCc2cccc(OC)c2Cl)n1 ZINC000657257138 1016118663 /nfs/dbraw/zinc/11/86/63/1016118663.db2.gz OJALDWGQLJIUNO-UHFFFAOYSA-N -1 1 310.806 3.699 20 0 DHADMM COc1ccc([C@H](NCc2c(C)cccc2Cl)C(=O)[O-])cc1 ZINC001599527722 997591383 /nfs/dbraw/zinc/59/13/83/997591383.db2.gz PQTAQSORWNCICW-INIZCTEOSA-N -1 1 319.788 3.573 20 0 DHADMM COCCCC[C@H](NCc1cc(C(=O)[O-])co1)c1ccccc1 ZINC001599224704 997736702 /nfs/dbraw/zinc/73/67/02/997736702.db2.gz UJXOXANCGBSHCS-KRWDZBQOSA-N -1 1 317.385 3.625 20 0 DHADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cccc(O)c2)cc1 ZINC000119601949 1016170004 /nfs/dbraw/zinc/17/00/04/1016170004.db2.gz DLZDOGPFKNFSBO-LBPRGKRZSA-N -1 1 305.399 3.707 20 0 DHADMM C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1ccsc1C(=O)[O-] ZINC001594174227 998668710 /nfs/dbraw/zinc/66/87/10/998668710.db2.gz RETWNQMSUYWFNL-WPRPVWTQSA-N -1 1 307.337 3.609 20 0 DHADMM C[C@@H]1C[C@@H](C(F)(F)F)CCN1Cc1csc(C(=O)[O-])c1 ZINC001594213948 998824819 /nfs/dbraw/zinc/82/48/19/998824819.db2.gz HCKLGANNXZONPY-SCZZXKLOSA-N -1 1 307.337 3.609 20 0 DHADMM O=C(N[C@@H]1C[C@H]1c1ccc2ccccc2c1)c1ccc([O-])c(F)c1 ZINC000684775540 1016434636 /nfs/dbraw/zinc/43/46/36/1016434636.db2.gz DORLPKRPRPCBOQ-FUHWJXTLSA-N -1 1 321.351 3.970 20 0 DHADMM CCc1nc(C)c(C(=O)[N-]c2c(C)noc2-c2ccccc2)o1 ZINC000346551377 1016452451 /nfs/dbraw/zinc/45/24/51/1016452451.db2.gz NYXRJGAQUZLZLW-UHFFFAOYSA-N -1 1 311.341 3.761 20 0 DHADMM Cc1cscc1CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000622564043 1016458681 /nfs/dbraw/zinc/45/86/81/1016458681.db2.gz WJDCDEYFZKYBSM-UHFFFAOYSA-N -1 1 315.316 3.711 20 0 DHADMM CCc1ccc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)o1 ZINC000277507180 1016468507 /nfs/dbraw/zinc/46/85/07/1016468507.db2.gz XWLDVPALNZRVIK-HNNXBMFYSA-N -1 1 307.777 3.801 20 0 DHADMM CC(C)(CNC(=O)c1cc2ccccc2cc1[O-])c1ccccn1 ZINC000622632403 1016495316 /nfs/dbraw/zinc/49/53/16/1016495316.db2.gz UFTXGGLUXRRUAM-UHFFFAOYSA-N -1 1 320.392 3.648 20 0 DHADMM O=C(Nc1ccc2c(c1)CCO2)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684872766 1016759560 /nfs/dbraw/zinc/75/95/60/1016759560.db2.gz ZXZSORNGFDXXEH-UHFFFAOYSA-N -1 1 323.270 3.598 20 0 DHADMM Cc1cccc2c1N(C(=O)c1ccc(C(F)(F)F)c([O-])c1)CC2 ZINC000684875443 1016767911 /nfs/dbraw/zinc/76/79/11/1016767911.db2.gz IOIJBHRFXXIQFH-UHFFFAOYSA-N -1 1 321.298 3.922 20 0 DHADMM Fc1cnc(=S)[n-]c1O[C@H](c1ccccc1)C(F)(F)F ZINC001227383526 1016812886 /nfs/dbraw/zinc/81/28/86/1016812886.db2.gz OMYAUQVWKCNOLA-SECBINFHSA-N -1 1 304.268 3.587 20 0 DHADMM CCCCC(=O)[C@@H](CCCC)Oc1[n-]c(=S)ncc1F ZINC001227387304 1016834428 /nfs/dbraw/zinc/83/44/28/1016834428.db2.gz WHSVJKBKMRKYHR-GFCCVEGCSA-N -1 1 300.399 3.601 20 0 DHADMM CC[C@H]1CC[C@H](C2CCC([NH2+]CCP(=O)([O-])[O-])CC2)CC1 ZINC001172587631 1033297801 /nfs/dbraw/zinc/29/78/01/1033297801.db2.gz NCQSUDSHLRXMQQ-MSBXVQKDSA-N -1 1 317.410 3.529 20 0 DHADMM CCOc1cc(/C=C2\C(=O)Oc3ccccc32)cc(Cl)c1[O-] ZINC000072751887 1016876120 /nfs/dbraw/zinc/87/61/20/1016876120.db2.gz PIVASEYBYARHJF-GHXNOFRVSA-N -1 1 316.740 3.904 20 0 DHADMM O=C(Nc1cccc(OCc2cccnc2)c1)c1ccccc1[O-] ZINC000046536689 1032164600 /nfs/dbraw/zinc/16/46/00/1032164600.db2.gz WNHHXPZCXVCJAQ-UHFFFAOYSA-N -1 1 320.348 3.619 20 0 DHADMM C/C=C\COc1cccc(CC(=O)Nc2c([O-])cccc2F)c1 ZINC001146492635 1032221616 /nfs/dbraw/zinc/22/16/16/1032221616.db2.gz OIHGEVIXFOTZQG-IHWYPQMZSA-N -1 1 315.344 3.667 20 0 DHADMM C[C@H]1SCCN(C(=O)c2cc3ccccc3cc2[O-])[C@H]1C ZINC000118287785 1032241617 /nfs/dbraw/zinc/24/16/17/1032241617.db2.gz JJJMWAUMXJCHTO-NWDGAFQWSA-N -1 1 301.411 3.511 20 0 DHADMM O=c1nc(C[N@H+]2C[C@@H]3CCCCCC[C@H]32)[n-]c2ccsc21 ZINC000362215687 1032273965 /nfs/dbraw/zinc/27/39/65/1032273965.db2.gz BDZBVTNRMVEYHL-WCQYABFASA-N -1 1 303.431 3.552 20 0 DHADMM O=c1nc(CN2C[C@@H]3CCCCCC[C@H]32)[n-]c2ccsc21 ZINC000362215687 1032273969 /nfs/dbraw/zinc/27/39/69/1032273969.db2.gz BDZBVTNRMVEYHL-WCQYABFASA-N -1 1 303.431 3.552 20 0 DHADMM CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001147860578 1032349037 /nfs/dbraw/zinc/34/90/37/1032349037.db2.gz IBNFONKALGIRSG-ZJUUUORDSA-N -1 1 303.324 3.966 20 0 DHADMM CCOc1cc(C(=O)N2CCc3ccccc32)cc(Cl)c1[O-] ZINC000192582892 1032404138 /nfs/dbraw/zinc/40/41/38/1032404138.db2.gz ZDOMKWKNJFRKCT-UHFFFAOYSA-N -1 1 317.772 3.647 20 0 DHADMM Cc1ccc([C@H](C)NC(=O)c2ccc(C(F)(F)F)cc2[O-])nc1 ZINC001148799429 1032445958 /nfs/dbraw/zinc/44/59/58/1032445958.db2.gz PINZOIVBEOHHBL-JTQLQIEISA-N -1 1 324.302 3.605 20 0 DHADMM CN(Cc1cncs1)C(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148866911 1032448890 /nfs/dbraw/zinc/44/88/90/1032448890.db2.gz RQPZYHADCKVUOW-UHFFFAOYSA-N -1 1 324.405 3.788 20 0 DHADMM O=C(NCc1cccc(F)n1)c1cccc(-c2ccccc2)c1[O-] ZINC001148872973 1032451114 /nfs/dbraw/zinc/45/11/14/1032451114.db2.gz OFTNDDJMTQAIQI-UHFFFAOYSA-N -1 1 322.339 3.523 20 0 DHADMM C[C@H]1CCCN(Cc2cnc(-c3ccsc3)s2)[C@H]1C(=O)[O-] ZINC000424417352 1012020072 /nfs/dbraw/zinc/02/00/72/1012020072.db2.gz LRAOARUSIWLUAE-GXFFZTMASA-N -1 1 322.455 3.557 20 0 DHADMM O=C(Nc1ccc(OCc2ccncc2)cc1)c1ccccc1[O-] ZINC000436569069 1012754438 /nfs/dbraw/zinc/75/44/38/1012754438.db2.gz ZNILVFCNSUKAGF-UHFFFAOYSA-N -1 1 320.348 3.619 20 0 DHADMM C[C@H](c1ccc(Cl)cc1)N(C(=O)c1cncc([O-])c1)C1CC1 ZINC000339815716 1012891095 /nfs/dbraw/zinc/89/10/95/1012891095.db2.gz ZPAASUKALNZRTL-LLVKDONJSA-N -1 1 316.788 3.806 20 0 DHADMM O=C(Nc1ccc(Oc2cccc(F)c2)cc1)c1cncc([O-])c1 ZINC000339835228 1012915567 /nfs/dbraw/zinc/91/55/67/1012915567.db2.gz UNQPZFSUMUOFNE-UHFFFAOYSA-N -1 1 324.311 3.971 20 0 DHADMM CC[C@H]1COC(C)(C)CN1C(=O)c1ccc2ccccc2c1[O-] ZINC000403861268 1017113025 /nfs/dbraw/zinc/11/30/25/1017113025.db2.gz ZJSUOUBQHVYHLB-AWEZNQCLSA-N -1 1 313.397 3.575 20 0 DHADMM Cc1cnc(C(=O)N2C[C@@H](C)CC[C@H]2c2ccccc2)c([O-])c1 ZINC000342762004 1017182122 /nfs/dbraw/zinc/18/21/22/1017182122.db2.gz WLBMJQPZGSAJLF-BBRMVZONSA-N -1 1 310.397 3.709 20 0 DHADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000166133012 1017219405 /nfs/dbraw/zinc/21/94/05/1017219405.db2.gz DMJDYKGLXYDAJG-HNNXBMFYSA-N -1 1 313.372 3.626 20 0 DHADMM Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(C)c2F)cc1F ZINC000180022798 1017351111 /nfs/dbraw/zinc/35/11/11/1017351111.db2.gz BNXLNWPHPJAWFZ-UHFFFAOYSA-N -1 1 315.316 3.522 20 0 DHADMM O=c1ccn(-c2ccc(NCc3cnc(C4CC4)s3)cc2)[n-]1 ZINC000623777276 1017462313 /nfs/dbraw/zinc/46/23/13/1017462313.db2.gz YAKBTIIBNLXFGK-UHFFFAOYSA-N -1 1 312.398 3.524 20 0 DHADMM CCCCOc1cccc(NC(=O)c2cccc([O-])c2F)c1 ZINC001142054436 1017498493 /nfs/dbraw/zinc/49/84/93/1017498493.db2.gz AGRGHIZCKPJATD-UHFFFAOYSA-N -1 1 303.333 3.963 20 0 DHADMM CC(C)(c1ccccc1)C1(NC(=O)c2ccc([O-])c(F)c2)CC1 ZINC000654344592 1017544211 /nfs/dbraw/zinc/54/42/11/1017544211.db2.gz LQMHLXVRFHVTJZ-UHFFFAOYSA-N -1 1 313.372 3.772 20 0 DHADMM C[C@@H](C1CCCCC1)N(C)C(=O)c1ncc2ccccc2c1[O-] ZINC001626097446 1017753264 /nfs/dbraw/zinc/75/32/64/1017753264.db2.gz XKHUNQJRGQYPCD-ZDUSSCGKSA-N -1 1 312.413 3.981 20 0 DHADMM CCc1ccc(/C=C/c2nc(-c3ccc([O-])c(F)c3)no2)o1 ZINC000445480823 1017876108 /nfs/dbraw/zinc/87/61/08/1017876108.db2.gz JWJRHLKFMSKYEO-SOFGYWHQSA-N -1 1 300.289 3.907 20 0 DHADMM [O-]c1ccc(-c2noc(/C=C/c3nc4ccccc4o3)n2)cc1F ZINC000445483665 1017878804 /nfs/dbraw/zinc/87/88/04/1017878804.db2.gz UMUHBCDXFLYGDR-BQYQJAHWSA-N -1 1 323.283 3.893 20 0 DHADMM CCC(CC)n1nccc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445485049 1017880162 /nfs/dbraw/zinc/88/01/62/1017880162.db2.gz ZWEJVUGZZLSGRI-UHFFFAOYSA-N -1 1 316.336 3.806 20 0 DHADMM [O-]c1cccc(CNc2ccc(Br)nc2)c1Cl ZINC000383351971 1017972327 /nfs/dbraw/zinc/97/23/27/1017972327.db2.gz USJJKVXPROUUNY-UHFFFAOYSA-N -1 1 313.582 3.815 20 0 DHADMM CCOC(=O)Cc1ccc(Nc2c([O-])cc(F)cc2F)cc1 ZINC001212519858 1018062856 /nfs/dbraw/zinc/06/28/56/1018062856.db2.gz IQHONFSHEUOFFC-UHFFFAOYSA-N -1 1 307.296 3.520 20 0 DHADMM Cc1noc(C2CC2)c1[N-]C(=O)c1cc(-c2ccccc2)on1 ZINC000154071648 1018104330 /nfs/dbraw/zinc/10/43/30/1018104330.db2.gz MERVGYZYEXIHDU-UHFFFAOYSA-N -1 1 309.325 3.768 20 0 DHADMM CCC[C@H]1C[C@@H](c2nc(-c3ccc([O-])cc3F)no2)CCO1 ZINC000278126672 1018174576 /nfs/dbraw/zinc/17/45/76/1018174576.db2.gz JVFIEQAQORXSIQ-JQWIXIFHSA-N -1 1 306.337 3.644 20 0 DHADMM C[C@@H]1CCN(Cc2c(Cl)cc(O)cc2Cl)CC[C@@]1(C)O ZINC001142105768 1018312596 /nfs/dbraw/zinc/31/25/96/1018312596.db2.gz MOHBHQORCIUIQP-MEBBXXQBSA-N -1 1 318.244 3.682 20 0 DHADMM O=C1[N-]C(=O)C(=Cc2ccc(Oc3cccc(F)c3)cc2)S1 ZINC000874928284 1032764028 /nfs/dbraw/zinc/76/40/28/1032764028.db2.gz NOGBYZWGKFQJBH-ZSOIEALJSA-N -1 1 315.325 3.942 20 0 DHADMM COc1cc(-c2ccccc2)ccc1C=C1SC(=O)[N-]C1=O ZINC000874928496 1032764571 /nfs/dbraw/zinc/76/45/71/1032764571.db2.gz OALUHIUFJVSEJO-XNTDXEJSSA-N -1 1 311.362 3.686 20 0 DHADMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(O)cc(F)c2)c1C ZINC000448075309 1018526584 /nfs/dbraw/zinc/52/65/84/1018526584.db2.gz VGYFKUZNDBBZPP-UHFFFAOYSA-N -1 1 323.389 3.566 20 0 DHADMM CC[C@H](C)Oc1cccc(NC(=O)c2ccc(O)cc2[O-])c1 ZINC000317869844 1018553824 /nfs/dbraw/zinc/55/38/24/1018553824.db2.gz WUEQXOARBUHXLT-NSHDSACASA-N -1 1 301.342 3.527 20 0 DHADMM C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(F)cc2[O-])o1 ZINC000676056366 1018650601 /nfs/dbraw/zinc/65/06/01/1018650601.db2.gz ZCQANTLSMOQTHJ-ZWNOBZJWSA-N -1 1 303.333 3.819 20 0 DHADMM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1ccc([O-])cc1F ZINC000385778012 1018786738 /nfs/dbraw/zinc/78/67/38/1018786738.db2.gz LWMHJCBHCMQKFR-ZDUSSCGKSA-N -1 1 313.372 3.972 20 0 DHADMM Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000075082479 1018995068 /nfs/dbraw/zinc/99/50/68/1018995068.db2.gz WAAYGXVUOXCCPW-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)cc1 ZINC000007405762 1019027866 /nfs/dbraw/zinc/02/78/66/1019027866.db2.gz LCYPUBYGIUFQQI-UHFFFAOYSA-N -1 1 307.390 3.887 20 0 DHADMM CC(C)OCc1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000063849411 1019085051 /nfs/dbraw/zinc/08/50/51/1019085051.db2.gz GEKJOCDTPBYXRC-UHFFFAOYSA-N -1 1 323.389 3.552 20 0 DHADMM Cc1cccc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)c1 ZINC000063849367 1019085334 /nfs/dbraw/zinc/08/53/34/1019085334.db2.gz HMNGEWNEFULOBG-UHFFFAOYSA-N -1 1 319.426 3.721 20 0 DHADMM CC[C@@]1(C(=O)[O-])CCCN(Cc2csc(C3CCCC3)n2)C1 ZINC000923469821 1019226095 /nfs/dbraw/zinc/22/60/95/1019226095.db2.gz GSYYWRBNKDJMJL-QGZVFWFLSA-N -1 1 322.474 3.878 20 0 DHADMM CC[C@@H](NCc1cc(C(=O)[O-])c(C)o1)c1ccc(OC)cc1 ZINC000902073294 1019236213 /nfs/dbraw/zinc/23/62/13/1019236213.db2.gz KWNGVAVAFFHMMY-MRXNPFEDSA-N -1 1 303.358 3.536 20 0 DHADMM CC(C)C[C@@H](NCc1ccc(-c2ccc(F)cc2)o1)C(=O)[O-] ZINC000113402370 1019277687 /nfs/dbraw/zinc/27/76/87/1019277687.db2.gz DLKSSLLRSLLIDI-OAHLLOKOSA-N -1 1 305.349 3.675 20 0 DHADMM Cc1cc(F)ncc1Nc1ccc(F)c(Br)c1[O-] ZINC001212817888 1032827758 /nfs/dbraw/zinc/82/77/58/1032827758.db2.gz TUVWIWWNAAFQGB-UHFFFAOYSA-N -1 1 315.117 3.880 20 0 DHADMM Cc1ccc(C(F)(F)F)cc1-c1noc(-c2ncccc2[O-])n1 ZINC001212480887 1019418253 /nfs/dbraw/zinc/41/82/53/1019418253.db2.gz OIAWTBQUYQCXTA-UHFFFAOYSA-N -1 1 321.258 3.831 20 0 DHADMM CC(C)OC1CCC(NC(=O)c2cc(Cl)ccc2[O-])CC1 ZINC000162865937 1019557163 /nfs/dbraw/zinc/55/71/63/1019557163.db2.gz PHQKOCGNLYWROM-UHFFFAOYSA-N -1 1 311.809 3.512 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2C[C@@H]2C(C)C)c1 ZINC000477491461 1032852952 /nfs/dbraw/zinc/85/29/52/1032852952.db2.gz FMDUHRQDTNJJAZ-NXEZZACHSA-N -1 1 312.207 3.694 20 0 DHADMM CCCn1ccc2cc([N-]S(=O)(=O)c3ccccc3)ccc21 ZINC000063476148 1019805771 /nfs/dbraw/zinc/80/57/71/1019805771.db2.gz FATUMVBAOZGTAN-UHFFFAOYSA-N -1 1 314.410 3.852 20 0 DHADMM O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(F)ccc1[O-] ZINC000316592237 1019929905 /nfs/dbraw/zinc/92/99/05/1019929905.db2.gz FUSPGJANIKPBFV-UHFFFAOYSA-N -1 1 315.222 3.682 20 0 DHADMM CC1(c2ccccc2)CC(NC(=O)c2c([O-])cccc2Cl)C1 ZINC000730035764 1019938577 /nfs/dbraw/zinc/93/85/77/1019938577.db2.gz DPJVQYDABBSKDQ-UHFFFAOYSA-N -1 1 315.800 3.896 20 0 DHADMM CC(C)[C@H]1N(C(=O)c2ccc([O-])cn2)CC12CCCCCC2 ZINC001171736897 1032877842 /nfs/dbraw/zinc/87/78/42/1032877842.db2.gz KCJUKHMTZUBASG-MRXNPFEDSA-N -1 1 302.418 3.608 20 0 DHADMM CC(C)[C@@H]1N(C(=O)c2ccc([O-])cn2)CC12CCCCCC2 ZINC001171736896 1032879395 /nfs/dbraw/zinc/87/93/95/1032879395.db2.gz KCJUKHMTZUBASG-INIZCTEOSA-N -1 1 302.418 3.608 20 0 DHADMM CCc1nc([C@@H](C)NC(=O)c2c([O-])cccc2Cl)cs1 ZINC000732302499 1020221883 /nfs/dbraw/zinc/22/18/83/1020221883.db2.gz HZMIYFZBEUVHFA-MRVPVSSYSA-N -1 1 310.806 3.556 20 0 DHADMM O=C(NCC1(c2ccc(F)cc2)CCC1)c1cccc([O-])c1F ZINC001143057358 1020456009 /nfs/dbraw/zinc/45/60/09/1020456009.db2.gz VBEUYRPYXRKHNQ-UHFFFAOYSA-N -1 1 317.335 3.522 20 0 DHADMM Cc1cccc(C)c1CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000347942661 1020459839 /nfs/dbraw/zinc/45/98/39/1020459839.db2.gz VDJOKDHUXKVTAD-UHFFFAOYSA-N -1 1 321.380 3.580 20 0 DHADMM Cc1nc(-c2ccc(NC[C@@H]3CCCC34CC4)nc2)[n-]c(=O)c1C ZINC000624757085 1020552508 /nfs/dbraw/zinc/55/25/08/1020552508.db2.gz LTSRAZIVAIGFLR-HNNXBMFYSA-N -1 1 324.428 3.853 20 0 DHADMM CCOc1ccccc1-c1noc(-c2ccc([O-])cc2F)n1 ZINC000318411180 1020611682 /nfs/dbraw/zinc/61/16/82/1020611682.db2.gz LGKHKBSXFSODQR-UHFFFAOYSA-N -1 1 300.289 3.647 20 0 DHADMM O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)c1c([O-])cccc1Cl ZINC000734873167 1020671571 /nfs/dbraw/zinc/67/15/71/1020671571.db2.gz XJRKYXSCSCOPQH-QPUJVOFHSA-N -1 1 323.726 3.610 20 0 DHADMM O=c1cc(C(F)(F)F)nc(SCc2cccnc2Cl)[n-]1 ZINC000735979921 1020780977 /nfs/dbraw/zinc/78/09/77/1020780977.db2.gz PAZSKXALLNMLAE-UHFFFAOYSA-N -1 1 321.711 3.542 20 0 DHADMM O=C(c1cc(Br)ccc1[O-])N1CCC[C@H]2CCC[C@@H]21 ZINC000174252948 1020964646 /nfs/dbraw/zinc/96/46/46/1020964646.db2.gz XNCJTMKRAGXMPL-MFKMUULPSA-N -1 1 324.218 3.559 20 0 DHADMM CCc1cccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c1 ZINC000176475371 1021132742 /nfs/dbraw/zinc/13/27/42/1021132742.db2.gz DRAXDBQXORVBTC-UHFFFAOYSA-N -1 1 311.353 3.987 20 0 DHADMM CCOc1cc(C(=O)Nc2ccc(C)c(O)c2)cc(Cl)c1[O-] ZINC000186867254 1021145758 /nfs/dbraw/zinc/14/57/58/1021145758.db2.gz FLELIGPTPOKROP-UHFFFAOYSA-N -1 1 321.760 3.711 20 0 DHADMM O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)c1ccccc1[O-] ZINC000917768608 1021360257 /nfs/dbraw/zinc/36/02/57/1021360257.db2.gz PILQQEPAJSALQD-UHFFFAOYSA-N -1 1 318.323 3.523 20 0 DHADMM CCO[C@H]1C[C@@H](NC(=O)c2c([O-])cccc2Cl)C12CCCC2 ZINC000743790626 1021366340 /nfs/dbraw/zinc/36/63/40/1021366340.db2.gz CXABWFOBBMIJOF-KGLIPLIRSA-N -1 1 323.820 3.513 20 0 DHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)c1 ZINC000007402820 1021375552 /nfs/dbraw/zinc/37/55/52/1021375552.db2.gz HTCQGQWHSNPHGC-UHFFFAOYSA-N -1 1 323.801 3.652 20 0 DHADMM CCOc1cc(C(=O)NC[C@@H]2CCC[C@H]3C[C@H]32)cc(Cl)c1[O-] ZINC000618517568 1021407939 /nfs/dbraw/zinc/40/79/39/1021407939.db2.gz KAXJVKVSQLVPEV-GMXVVIOVSA-N -1 1 323.820 3.610 20 0 DHADMM CCN(CC)c1ccc(NC(=O)c2ccc([O-])cc2F)cc1 ZINC000181102097 1021506946 /nfs/dbraw/zinc/50/69/46/1021506946.db2.gz MXXIEUVCFFCXML-UHFFFAOYSA-N -1 1 302.349 3.630 20 0 DHADMM CN(C)c1c(Cl)cccc1NC(=O)c1ccc([O-])cc1F ZINC000181889382 1021527065 /nfs/dbraw/zinc/52/70/65/1021527065.db2.gz CJEXSNKEHOLXGN-UHFFFAOYSA-N -1 1 308.740 3.503 20 0 DHADMM Cc1cc(O)ccc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000776480147 1021626720 /nfs/dbraw/zinc/62/67/20/1021626720.db2.gz LBDBTUIAHVBYSJ-UHFFFAOYSA-N -1 1 311.259 3.677 20 0 DHADMM CCc1nc(C)c(NC(=O)c2cc(SC)ccc2[O-])s1 ZINC000613658307 1021639072 /nfs/dbraw/zinc/63/90/72/1021639072.db2.gz RTZRUMBUKKDKEK-UHFFFAOYSA-N -1 1 308.428 3.694 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H](C)c2cccs2)c1 ZINC000745068140 1021649628 /nfs/dbraw/zinc/64/96/28/1021649628.db2.gz SXAABNKTCOBPRP-LLVKDONJSA-N -1 1 318.394 3.546 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)/C=C(\C)C(C)(C)C)c1 ZINC000745599627 1021741963 /nfs/dbraw/zinc/74/19/63/1021741963.db2.gz JVXQLBJOAGMTSI-ZRDIBKRKSA-N -1 1 304.386 3.673 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(F)c(F)c(F)c1F ZINC000182879772 1021836435 /nfs/dbraw/zinc/83/64/35/1021836435.db2.gz STIMRFWPWZKVOT-UHFFFAOYSA-N -1 1 319.641 3.854 20 0 DHADMM Cc1nc2ccc(NC(=O)c3ccc4[n-]c(=S)oc4c3)cc2[nH]1 ZINC000746109800 1021857348 /nfs/dbraw/zinc/85/73/48/1021857348.db2.gz UPDYNMWTJUECPF-UHFFFAOYSA-N -1 1 324.365 3.554 20 0 DHADMM Cc1c(O)ccc2c(C[N@@H+](C)Cc3ccsc3)cc(=O)oc12 ZINC000007927117 1021944585 /nfs/dbraw/zinc/94/45/85/1021944585.db2.gz RVMSEEMFJORIHN-UHFFFAOYSA-N -1 1 315.394 3.501 20 0 DHADMM Cc1cccc(OC[C@@H](C)NC(=O)c2c([O-])cccc2Cl)c1 ZINC000920460975 1022124019 /nfs/dbraw/zinc/12/40/19/1022124019.db2.gz KDMCNCOSPQSCRC-GFCCVEGCSA-N -1 1 319.788 3.551 20 0 DHADMM CCC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001168921833 1022184148 /nfs/dbraw/zinc/18/41/48/1022184148.db2.gz GEROPRNHYCOGND-BBRMVZONSA-N -1 1 313.401 3.733 20 0 DHADMM O=C(NCc1ccc([O-])c(Cl)c1)N(CC1CC1)CC1CCC1 ZINC000876396555 1033036533 /nfs/dbraw/zinc/03/65/33/1033036533.db2.gz JNKARHXGECODJN-UHFFFAOYSA-N -1 1 322.836 3.767 20 0 DHADMM COc1cc(C(=O)N(C)c2cccc(C)c2)cc(Cl)c1[O-] ZINC000153734421 1022245030 /nfs/dbraw/zinc/24/50/30/1022245030.db2.gz CCWIMUNEUGRUIA-UHFFFAOYSA-N -1 1 305.761 3.639 20 0 DHADMM [O-]c1ccc(-c2noc(CC[C@@H]3CC3(Cl)Cl)n2)c(F)c1 ZINC000854050930 1022396942 /nfs/dbraw/zinc/39/69/42/1022396942.db2.gz MNMBTWGRLJOJBV-SSDOTTSWSA-N -1 1 317.147 3.708 20 0 DHADMM Cc1noc(C)c1[C@H](C)CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000155538150 1022405408 /nfs/dbraw/zinc/40/54/08/1022405408.db2.gz HOKBKNFYPKZOEO-MRVPVSSYSA-N -1 1 308.765 3.783 20 0 DHADMM CCC[C@@H]1C[C@H](C(=O)Nc2cc(F)c([O-])cc2Cl)CCO1 ZINC000885675819 1022443655 /nfs/dbraw/zinc/44/36/55/1022443655.db2.gz BYEHALURVKQFHR-NXEZZACHSA-N -1 1 315.772 3.719 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1ccn(C2CCCC2)n1 ZINC000885675814 1022443743 /nfs/dbraw/zinc/44/37/43/1022443743.db2.gz BSUSCBRGCGDOPZ-UHFFFAOYSA-N -1 1 323.755 3.749 20 0 DHADMM CCOCCC1(C(=O)Nc2cc(F)c([O-])cc2Cl)CCC1 ZINC000885676938 1022448331 /nfs/dbraw/zinc/44/83/31/1022448331.db2.gz XOARGVPRUJYPNE-UHFFFAOYSA-N -1 1 315.772 3.720 20 0 DHADMM O=C(Nc1ccc(Cl)cc1[O-])c1noc2c1CCCCC2 ZINC000156887602 1022504658 /nfs/dbraw/zinc/50/46/58/1022504658.db2.gz YTTSBUQCLCMKIH-UHFFFAOYSA-N -1 1 306.749 3.555 20 0 DHADMM CC(=O)c1ccsc1[N-]C(=O)c1c(F)c(F)cc(F)c1F ZINC001129347242 1022558127 /nfs/dbraw/zinc/55/81/27/1022558127.db2.gz FDXKXXKQSROZLA-UHFFFAOYSA-N -1 1 317.263 3.759 20 0 DHADMM CC[C@@H]1CO[C@H](C)CN1Cc1c2ccccc2sc1C(=O)[O-] ZINC000315352200 1022632375 /nfs/dbraw/zinc/63/23/75/1022632375.db2.gz PTQOVGABMOBKQP-VXGBXAGGSA-N -1 1 319.426 3.599 20 0 DHADMM C[C@H]1CCC(C)(C)N1C(=O)c1ccc(Br)cc1[O-] ZINC000616164939 1022653157 /nfs/dbraw/zinc/65/31/57/1022653157.db2.gz LCBCLVZRLSSYDG-VIFPVBQESA-N -1 1 312.207 3.558 20 0 DHADMM CCCOc1c(F)cc(F)c(Nc2ncc(F)cc2[O-])c1F ZINC001212648119 1033070372 /nfs/dbraw/zinc/07/03/72/1033070372.db2.gz LOQYUTFNACPDNE-UHFFFAOYSA-N -1 1 316.254 3.876 20 0 DHADMM CN(C)c1ccc(NC(=O)c2ccc([O-])c(F)c2)cc1Cl ZINC000767307836 1022686828 /nfs/dbraw/zinc/68/68/28/1022686828.db2.gz ZULKPCYSEJDBQX-UHFFFAOYSA-N -1 1 308.740 3.503 20 0 DHADMM Cc1cnc(C(=O)N(C)[C@H]2CCCC[C@@H]2c2ccccc2)c([O-])c1 ZINC000616329531 1022693562 /nfs/dbraw/zinc/69/35/62/1022693562.db2.gz YTSHLBLBQMNFGO-SJORKVTESA-N -1 1 324.424 3.894 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCCCCCC1 ZINC000180332235 1022705324 /nfs/dbraw/zinc/70/53/24/1022705324.db2.gz PPJWRVILOXBCSH-UHFFFAOYSA-N -1 1 301.308 3.817 20 0 DHADMM CCC(CC)CCCN(C)C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000856168921 1022760062 /nfs/dbraw/zinc/76/00/62/1022760062.db2.gz FKYFDFHXWCNKNS-UHFFFAOYSA-N -1 1 321.465 3.902 20 0 DHADMM CC=C(C=CC(=O)OCCc1cc(C(C)=O)ccc1[O-])CC ZINC000767663049 1022770917 /nfs/dbraw/zinc/77/09/17/1022770917.db2.gz VVWABXSYOUCUND-ITBBJYPKSA-N -1 1 302.370 3.593 20 0 DHADMM O=C(/C=C\c1ccc2[nH]ccc2c1)Nc1cc([O-])c(F)cc1F ZINC001625896965 1022866105 /nfs/dbraw/zinc/86/61/05/1022866105.db2.gz TVLGPNYAIPUKBM-RQOWECAXSA-N -1 1 314.291 3.804 20 0 DHADMM CC(C)(C)c1nnc([N-]C(=O)c2nc3ccccc3s2)s1 ZINC000163396844 1022913653 /nfs/dbraw/zinc/91/36/53/1022913653.db2.gz UOCGMTBTFJSJAV-UHFFFAOYSA-N -1 1 318.427 3.698 20 0 DHADMM O=C(NC1(c2ccc(F)cc2)CC1)c1c([O-])cccc1Cl ZINC000769769758 1023204815 /nfs/dbraw/zinc/20/48/15/1023204815.db2.gz OQYNYQJEQLUGGA-UHFFFAOYSA-N -1 1 305.736 3.604 20 0 DHADMM Cc1csc([C@H](NC(=O)c2c([O-])cccc2Cl)C2CC2)n1 ZINC000769912967 1023232372 /nfs/dbraw/zinc/23/23/72/1023232372.db2.gz KYWVBOWUYNOVEX-CYBMUJFWSA-N -1 1 322.817 3.692 20 0 DHADMM Cc1ccc2c(c1)OCCN2C(=O)c1ccc(C(C)C)cc1[O-] ZINC000769913354 1023232845 /nfs/dbraw/zinc/23/28/45/1023232845.db2.gz PDPJQJCIDNUOHD-UHFFFAOYSA-N -1 1 311.381 3.863 20 0 DHADMM CC(C)(C)[C@H](NC(=O)c1c([O-])cccc1Cl)C(F)(F)F ZINC000769927200 1023249042 /nfs/dbraw/zinc/24/90/42/1023249042.db2.gz AOLHIDSJKHZRFH-NSHDSACASA-N -1 1 309.715 3.752 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N1CC[C@@H]1c1cccc(F)c1 ZINC000769924310 1023249247 /nfs/dbraw/zinc/24/92/47/1023249247.db2.gz WRXPNWXDGZITSH-CYBMUJFWSA-N -1 1 305.736 3.772 20 0 DHADMM Cc1ccc2c(Cc3nc(-c4ccc([O-])cc4F)no3)c[nH]c2c1 ZINC000771199534 1023404630 /nfs/dbraw/zinc/40/46/30/1023404630.db2.gz MGTUSZJWULDHMT-UHFFFAOYSA-N -1 1 323.327 3.962 20 0 DHADMM [O-]c1ccc(-c2noc(/C=C\c3ccccc3F)n2)c(F)c1 ZINC000771199869 1023404647 /nfs/dbraw/zinc/40/46/47/1023404647.db2.gz RKMWDIDSJSFALB-YVMONPNESA-N -1 1 300.264 3.891 20 0 DHADMM CCN(Cc1nc(-c2ccc([O-])c(F)c2)no1)c1ccccc1 ZINC000771223595 1023412889 /nfs/dbraw/zinc/41/28/89/1023412889.db2.gz YGMHZPBVXIBWNS-UHFFFAOYSA-N -1 1 313.332 3.608 20 0 DHADMM C[C@H](NC(=O)c1c([O-])cccc1F)c1nc2ccccc2s1 ZINC000772065617 1023511574 /nfs/dbraw/zinc/51/15/74/1023511574.db2.gz KTLCGJAXMCFXKC-VIFPVBQESA-N -1 1 316.357 3.632 20 0 DHADMM COc1cc(C(=O)N(C)c2ccc(C)c(C)c2)cc(Cl)c1[O-] ZINC000785535470 1023586867 /nfs/dbraw/zinc/58/68/67/1023586867.db2.gz QDQACNWWCQINTF-UHFFFAOYSA-N -1 1 319.788 3.948 20 0 DHADMM CCOC(=O)COc1ccccc1-c1cccc([O-])c1Cl ZINC001242801932 1023620755 /nfs/dbraw/zinc/62/07/55/1023620755.db2.gz HKXHJYYJLSXWHZ-UHFFFAOYSA-N -1 1 306.745 3.655 20 0 DHADMM Cc1cccc2nc(-c3ccc(Br)s3)[n-]c(=O)c12 ZINC000048623075 1023801554 /nfs/dbraw/zinc/80/15/54/1023801554.db2.gz SQVKXMXCAWJEKN-UHFFFAOYSA-N -1 1 321.199 3.723 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)cc1F ZINC000048655354 1023802307 /nfs/dbraw/zinc/80/23/07/1023802307.db2.gz WHEQNJDAAQHQRV-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM C[C@H]1CCC(C)(C)N1C(=O)c1cc(Br)ccc1[O-] ZINC000662046149 1023867268 /nfs/dbraw/zinc/86/72/68/1023867268.db2.gz PVPARHKWFLQOEM-VIFPVBQESA-N -1 1 312.207 3.558 20 0 DHADMM C[C@@H](c1cccc(Cl)c1)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000251589115 1023925007 /nfs/dbraw/zinc/92/50/07/1023925007.db2.gz XIABWVOZSQHTEL-ZANVPECISA-N -1 1 321.726 3.740 20 0 DHADMM CC(C)(C)CN(CC(=O)[O-])Cc1c(Cl)cccc1Cl ZINC000662228532 1024004782 /nfs/dbraw/zinc/00/47/82/1024004782.db2.gz GSGXVMDMUSKRAP-UHFFFAOYSA-N -1 1 304.217 3.926 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])C1(Cc2ccccc2F)CC1 ZINC000790047784 1024213994 /nfs/dbraw/zinc/21/39/94/1024213994.db2.gz OWEUWXDEBHBXRS-UHFFFAOYSA-N -1 1 320.751 3.541 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000269029977 1024225783 /nfs/dbraw/zinc/22/57/83/1024225783.db2.gz MDGDHAWLEMWADG-IUCAKERBSA-N -1 1 305.271 3.839 20 0 DHADMM O=C(CCCOc1ccccc1)Nc1ccc([O-])c(Cl)c1 ZINC000067738976 1024251499 /nfs/dbraw/zinc/25/14/99/1024251499.db2.gz COTQOCWIYQTJNX-UHFFFAOYSA-N -1 1 305.761 3.843 20 0 DHADMM O=C([N-]c1cc(-c2ccccc2)on1)c1nc(Cl)cs1 ZINC000790784797 1024374853 /nfs/dbraw/zinc/37/48/53/1024374853.db2.gz KPSFHTZYLGZFEN-UHFFFAOYSA-N -1 1 305.746 3.704 20 0 DHADMM Cc1cccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1O ZINC001295833615 1024402103 /nfs/dbraw/zinc/40/21/03/1024402103.db2.gz YULUOHMWMKYVJF-UHFFFAOYSA-N -1 1 311.259 3.677 20 0 DHADMM Cc1cc(C=O)c([O-])c(C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)c1 ZINC001137188188 1024406512 /nfs/dbraw/zinc/40/65/12/1024406512.db2.gz REGUINLDHFJJGM-YOEHRIQHSA-N -1 1 323.392 3.531 20 0 DHADMM O=C(Cc1cccc2cccnc21)Nc1ccc([O-])c(Cl)c1 ZINC000111666687 1024546646 /nfs/dbraw/zinc/54/66/46/1024546646.db2.gz ABMZTEPFSZELGN-UHFFFAOYSA-N -1 1 312.756 3.775 20 0 DHADMM Cc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1C ZINC000339122139 1024569923 /nfs/dbraw/zinc/56/99/23/1024569923.db2.gz IMGUNSXDNPZKHV-UHFFFAOYSA-N -1 1 307.353 3.651 20 0 DHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])NC1CCCCC1 ZINC001202615325 1024613451 /nfs/dbraw/zinc/61/34/51/1024613451.db2.gz FDKKVRQNYDSJGI-UHFFFAOYSA-N -1 1 302.296 3.865 20 0 DHADMM CC(C)Cc1ncc(NC(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000348959475 1024655355 /nfs/dbraw/zinc/65/53/55/1024655355.db2.gz BYGFVKBMRFABNJ-UHFFFAOYSA-N -1 1 320.780 3.678 20 0 DHADMM O=C(c1c(F)ccc([O-])c1F)N1CCc2ccc(Cl)cc2C1 ZINC000348971408 1024655714 /nfs/dbraw/zinc/65/57/14/1024655714.db2.gz YWLMQYBXOBZEGI-UHFFFAOYSA-N -1 1 323.726 3.522 20 0 DHADMM CCCCCCO[C@@H](C)C(=O)Nc1ccc([O-])c(F)c1F ZINC000839788753 1024777523 /nfs/dbraw/zinc/77/75/23/1024777523.db2.gz OQMDYEJXZMWORX-JTQLQIEISA-N -1 1 301.333 3.594 20 0 DHADMM CCCCCC[C@@H](CCCC)Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21 ZINC001172516557 1033241725 /nfs/dbraw/zinc/24/17/25/1033241725.db2.gz JNLNHZCRZOVJHD-LLVKDONJSA-N -1 1 321.425 3.657 20 0 DHADMM CC1(C)CCC[C@H](CNC(=O)Cc2ccc([O-])c(Cl)c2)C1 ZINC001299416816 1024893659 /nfs/dbraw/zinc/89/36/59/1024893659.db2.gz PMRLZYFFJAMTCT-ZDUSSCGKSA-N -1 1 309.837 3.921 20 0 DHADMM O=C(NCc1ccc([O-])c(Cl)c1)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001303298612 1024925579 /nfs/dbraw/zinc/92/55/79/1024925579.db2.gz GNJKZTKGHXNODN-ZIAGYGMSSA-N -1 1 307.821 3.878 20 0 DHADMM C[C@H](CN(C)C(=O)c1c(F)ccc([O-])c1F)c1ccccc1 ZINC000348313306 1024949360 /nfs/dbraw/zinc/94/93/60/1024949360.db2.gz XENKLGPLBGTRED-LLVKDONJSA-N -1 1 305.324 3.546 20 0 DHADMM O=C([O-])[C@H]1CCCCN1Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000263399405 1024964418 /nfs/dbraw/zinc/96/44/18/1024964418.db2.gz HPMXSLYLMIIBJT-GFCCVEGCSA-N -1 1 321.726 3.798 20 0 DHADMM C[C@H](c1cccc(O)c1)N(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000092602201 1025196778 /nfs/dbraw/zinc/19/67/78/1025196778.db2.gz KYXJMZJCWWUNEM-SNVBAGLBSA-N -1 1 305.761 3.584 20 0 DHADMM CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)Cc1ccccc1)C(F)(F)F ZINC000793970545 1025201511 /nfs/dbraw/zinc/20/15/11/1025201511.db2.gz BTRQBAPWZWYJKM-JQWIXIFHSA-N -1 1 323.305 3.958 20 0 DHADMM Cc1nc(-c2ccc(NC[C@@H]3C[C@@H]3[C@H]3C[C@@H]3C)nc2)[n-]c(=O)c1C ZINC000884649507 1025206433 /nfs/dbraw/zinc/20/64/33/1025206433.db2.gz FUPFDVXDJBDFMA-MVWHLILJSA-N -1 1 324.428 3.565 20 0 DHADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1 ZINC000007056170 1025236791 /nfs/dbraw/zinc/23/67/91/1025236791.db2.gz CBWSVEZINGVMKF-UHFFFAOYSA-N -1 1 317.410 3.813 20 0 DHADMM CSc1ccc(C(=O)[N-]c2nc(-c3ccccc3)ns2)o1 ZINC000112236636 1025240714 /nfs/dbraw/zinc/24/07/14/1025240714.db2.gz KYULTIMIZAJSIT-UHFFFAOYSA-N -1 1 317.395 3.772 20 0 DHADMM O=C(c1ncc2ccccc2c1[O-])N1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000885221254 1025284516 /nfs/dbraw/zinc/28/45/16/1025284516.db2.gz KILGECUNMOGKRN-NVXWUHKLSA-N -1 1 322.408 3.591 20 0 DHADMM CC(=O)[C@@H]1C[C@@H](CC(=O)Nc2ccc([O-])c(Cl)c2)C1(C)C ZINC000353991922 1025312520 /nfs/dbraw/zinc/31/25/20/1025312520.db2.gz FLHGOYKCXKTGOC-JQWIXIFHSA-N -1 1 309.793 3.626 20 0 DHADMM CC(Cl)(Cl)C(=O)[N-]CC(F)(F)c1ccc(Cl)cc1 ZINC000804680878 1025429921 /nfs/dbraw/zinc/42/99/21/1025429921.db2.gz WYMHUEHKMOQADW-UHFFFAOYSA-N -1 1 316.562 3.742 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2ccc(F)c([C@@H](C)O)c2)c([O-])c1 ZINC000804800752 1025472560 /nfs/dbraw/zinc/47/25/60/1025472560.db2.gz OKAFSGUJNKWMDX-LLVKDONJSA-N -1 1 317.360 3.960 20 0 DHADMM CCc1nnc([N-]C(=O)c2csc(-c3cccs3)n2)s1 ZINC000007921381 1025572829 /nfs/dbraw/zinc/57/28/29/1025572829.db2.gz DIBHJITXUISBKU-UHFFFAOYSA-N -1 1 322.440 3.538 20 0 DHADMM O=C(c1ccc(Br)c([O-])c1)N1CC2(C1)CCCCC2 ZINC000355546160 1025764168 /nfs/dbraw/zinc/76/41/68/1025764168.db2.gz BIAXCQSYCGNPLE-UHFFFAOYSA-N -1 1 324.218 3.561 20 0 DHADMM C[C@@H]1CCC[C@@H](CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)C1 ZINC000355990936 1025912669 /nfs/dbraw/zinc/91/26/69/1025912669.db2.gz PCGBYSWREHQFRY-CHWSQXEVSA-N -1 1 313.401 3.937 20 0 DHADMM COc1cc(C(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)cc(Cl)c1[O-] ZINC000356649180 1026116274 /nfs/dbraw/zinc/11/62/74/1026116274.db2.gz VBRJSCDPXXEVFG-GMTAPVOTSA-N -1 1 311.809 3.561 20 0 DHADMM O=C(N[C@H]1CC[C@H](c2cccc(F)c2)C1)c1ccc([O-])cc1F ZINC000280232881 1026618865 /nfs/dbraw/zinc/61/88/65/1026618865.db2.gz OLWFUVHLUNEJRV-JSGCOSHPSA-N -1 1 317.335 3.737 20 0 DHADMM O=C([N-]c1nnc(C2CCCCC2)s1)c1conc1C1CC1 ZINC000810031837 1026671802 /nfs/dbraw/zinc/67/18/02/1026671802.db2.gz VQJGFRLPDNICMB-UHFFFAOYSA-N -1 1 318.402 3.704 20 0 DHADMM Cc1ncsc1COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000811116588 1026939002 /nfs/dbraw/zinc/93/90/02/1026939002.db2.gz VENIJANVWGUDCC-UHFFFAOYSA-N -1 1 318.181 3.821 20 0 DHADMM COc1cc(C(=O)N2CC[C@H](C3CCCC3)C2)cc(Cl)c1[O-] ZINC000421953745 1027090352 /nfs/dbraw/zinc/09/03/52/1027090352.db2.gz UCPPANXFAGZOBD-LBPRGKRZSA-N -1 1 323.820 3.707 20 0 DHADMM C[C@@H](C(=O)[N-]OC/C=C\Cl)c1ccc(Cl)c(Cl)c1 ZINC000812407757 1027283406 /nfs/dbraw/zinc/28/34/06/1027283406.db2.gz YYVYPWFNISGZQN-ZTHSNPKKSA-N -1 1 308.592 3.897 20 0 DHADMM O=C([N-]c1cccc(Cl)c1SC(F)F)c1cnsn1 ZINC000157443252 1027302215 /nfs/dbraw/zinc/30/22/15/1027302215.db2.gz ZQRGAIGTSAYRJQ-UHFFFAOYSA-N -1 1 321.761 3.759 20 0 DHADMM C[C@@H]1CCCCN1Cc1cc(Br)ccc1C(=O)[O-] ZINC000576285481 1027596136 /nfs/dbraw/zinc/59/61/36/1027596136.db2.gz JQKQAKWJIHCWCI-SNVBAGLBSA-N -1 1 312.207 3.522 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CC=C(c2cccc(F)c2)CC1 ZINC000364374352 1027813040 /nfs/dbraw/zinc/81/30/40/1027813040.db2.gz JTMOQSVACPYICT-UHFFFAOYSA-N -1 1 315.319 3.600 20 0 DHADMM C[C@@H](O[N-]C(=O)C[C@@H]1OCCc2ccsc21)c1ccccc1 ZINC000365633518 1027985188 /nfs/dbraw/zinc/98/51/88/1027985188.db2.gz IDFUQGGEXBMWSZ-DOMZBBRYSA-N -1 1 317.410 3.561 20 0 DHADMM CCOc1cc(-c2noc([C@]34C[C@H]3CCC4)n2)cc(Cl)c1[O-] ZINC000578856453 1028260020 /nfs/dbraw/zinc/26/00/20/1028260020.db2.gz IVEGWUAAZLIPNY-QLJPJBMISA-N -1 1 320.776 3.936 20 0 DHADMM CCC(=CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)CC ZINC000370573498 1028620045 /nfs/dbraw/zinc/62/00/45/1028620045.db2.gz GAWUSJPMJXCCAL-UHFFFAOYSA-N -1 1 315.413 3.560 20 0 DHADMM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)c1cc2ccccc2o1 ZINC000565976704 1028662473 /nfs/dbraw/zinc/66/24/73/1028662473.db2.gz CRVIWDNEYVCIEU-SECBINFHSA-N -1 1 317.291 3.908 20 0 DHADMM COCCCCC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000628233337 1028951029 /nfs/dbraw/zinc/95/10/29/1028951029.db2.gz WVZLHPHBFCSAIP-UHFFFAOYSA-N -1 1 307.777 3.954 20 0 DHADMM Cc1ccc(OCCCSc2ncc(C)c(=O)[n-]2)cc1C ZINC000568271300 1029036953 /nfs/dbraw/zinc/03/69/53/1029036953.db2.gz AIJBPAWPBUNYGM-UHFFFAOYSA-N -1 1 304.415 3.669 20 0 DHADMM CCC[C@@H](C(=O)[O-])N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000568639186 1029105936 /nfs/dbraw/zinc/10/59/36/1029105936.db2.gz NJMOZJLEIJSAPE-ZDUSSCGKSA-N -1 1 302.201 3.605 20 0 DHADMM CC[C@H](C(=O)[N-]OCC1CC1)c1cccc(C(F)(F)F)c1 ZINC000817368678 1029137287 /nfs/dbraw/zinc/13/72/87/1029137287.db2.gz YPSFMPRPJIXPRB-ZDUSSCGKSA-N -1 1 301.308 3.657 20 0 DHADMM C[C@H](C(=O)[N-]OCCC1CC1)c1c(Cl)cccc1Cl ZINC000817388073 1029142496 /nfs/dbraw/zinc/14/24/96/1029142496.db2.gz PLRBHAHNFZHNMZ-VIFPVBQESA-N -1 1 302.201 3.945 20 0 DHADMM CCN(CCc1ccccc1C(=O)[O-])Cc1c(F)cccc1F ZINC000569131230 1029181510 /nfs/dbraw/zinc/18/15/10/1029181510.db2.gz UHVWBJGMGUKWOP-UHFFFAOYSA-N -1 1 319.351 3.728 20 0 DHADMM C[C@@H]1CC(F)(F)CCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000628962653 1029196556 /nfs/dbraw/zinc/19/65/56/1029196556.db2.gz UJGNBALEYIEVBG-MRVPVSSYSA-N -1 1 323.261 3.671 20 0 DHADMM CCN(Cc1c(F)cccc1Cl)C1CCC(C(=O)[O-])CC1 ZINC000569236852 1029198232 /nfs/dbraw/zinc/19/82/32/1029198232.db2.gz FIOXUHAYRKDCKT-UHFFFAOYSA-N -1 1 313.800 3.944 20 0 DHADMM O=C([O-])[C@H](NCc1ccc(C2CC2)cc1)c1ccc(F)cc1F ZINC000569985682 1029294074 /nfs/dbraw/zinc/29/40/74/1029294074.db2.gz QHEYAQRTEHWVOG-QGZVFWFLSA-N -1 1 317.335 3.758 20 0 DHADMM COc1cccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1C ZINC000629316211 1029301507 /nfs/dbraw/zinc/30/15/07/1029301507.db2.gz JRFQQKIVBNCUNK-UHFFFAOYSA-N -1 1 319.426 3.928 20 0 DHADMM C[C@H]1CN(Cc2cccc(C(=O)[O-])c2Cl)C[C@H](C)C1(F)F ZINC000629364883 1029310032 /nfs/dbraw/zinc/31/00/32/1029310032.db2.gz QSMTWEBWRRQWGW-UWVGGRQHSA-N -1 1 317.763 3.761 20 0 DHADMM C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC001136114113 1029337280 /nfs/dbraw/zinc/33/72/80/1029337280.db2.gz UXUGLIOBBXUSCO-GXTWGEPZSA-N -1 1 313.397 3.902 20 0 DHADMM C[C@]1(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CCCOC1 ZINC000529538886 1029378750 /nfs/dbraw/zinc/37/87/50/1029378750.db2.gz MPMZKWALUKPAJY-KRWDZBQOSA-N -1 1 319.788 3.954 20 0 DHADMM C[C@H]1COCC[C@@H]1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529538541 1029401333 /nfs/dbraw/zinc/40/13/33/1029401333.db2.gz DGOGFWUWYYZAPY-QWRGUYRKSA-N -1 1 319.788 3.810 20 0 DHADMM Cc1cccc(NC(=O)C(C#N)=C([O-])c2csc(Cl)c2)c1 ZINC000191374593 1029404935 /nfs/dbraw/zinc/40/49/35/1029404935.db2.gz DLTYLEOUSBCLAH-GFCCVEGCSA-N -1 1 318.785 3.671 20 0 DHADMM O=C([O-])c1coc(CN(Cc2ccoc2)C2CCCCC2)c1 ZINC000570853524 1029429374 /nfs/dbraw/zinc/42/93/74/1029429374.db2.gz HRQGEGOTOJRXRV-UHFFFAOYSA-N -1 1 303.358 3.906 20 0 DHADMM O=C(c1ccc(F)c([O-])c1)N(Cc1ccc(F)cc1F)C1CC1 ZINC001136180822 1029464511 /nfs/dbraw/zinc/46/45/11/1029464511.db2.gz PLFXLNGQFUTLJF-UHFFFAOYSA-N -1 1 321.298 3.614 20 0 DHADMM CC(C)C1(c2ccccc2)CN(C(=O)c2ccc([O-])cc2F)C1 ZINC000412793555 1029524647 /nfs/dbraw/zinc/52/46/47/1029524647.db2.gz ABSPJDMZKRUBJD-UHFFFAOYSA-N -1 1 313.372 3.581 20 0 DHADMM CC[C@H](CCc1ccccc1)NC(=O)c1c(F)ccc([O-])c1F ZINC000529801947 1029580472 /nfs/dbraw/zinc/58/04/72/1029580472.db2.gz RAMDHPKGKCZAAD-CYBMUJFWSA-N -1 1 319.351 3.812 20 0 DHADMM CO[C@H](C)c1nc(=N[C@H]2CCCC[C@H]2CC(F)(F)F)s[n-]1 ZINC000450662795 1029601265 /nfs/dbraw/zinc/60/12/65/1029601265.db2.gz QPKKWXBCQHBXRE-UTLUCORTSA-N -1 1 323.384 3.591 20 0 DHADMM CCCOc1cc(C)ccc1NC(=O)c1ccc([O-])cc1F ZINC001136315805 1029702867 /nfs/dbraw/zinc/70/28/67/1029702867.db2.gz JYHGYOPFVHLYLR-UHFFFAOYSA-N -1 1 303.333 3.881 20 0 DHADMM CC(C)c1nnc([N-]C(=O)c2csc(-c3ccco3)n2)s1 ZINC000029634967 1029757576 /nfs/dbraw/zinc/75/75/76/1029757576.db2.gz GKNGLIPRSRAUHF-UHFFFAOYSA-N -1 1 320.399 3.630 20 0 DHADMM COc1cnc(C=Cc2csc(-c3ccsc3)n2)[n-]c1=O ZINC000821012440 1029806376 /nfs/dbraw/zinc/80/63/76/1029806376.db2.gz JNGAOXKFBHLURI-NSCUHMNNSA-N -1 1 317.395 3.546 20 0 DHADMM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1CNC(=O)c1cc(F)ccc1[O-] ZINC001136488015 1029864523 /nfs/dbraw/zinc/86/45/23/1029864523.db2.gz CKARODQWHRNCSE-IPYPFGDCSA-N -1 1 307.409 3.970 20 0 DHADMM CCCC[C@@](C)(F)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000821826093 1029876146 /nfs/dbraw/zinc/87/61/46/1029876146.db2.gz BEMGCNRUXPFRDC-MRXNPFEDSA-N -1 1 305.353 3.639 20 0 DHADMM C[C@H](F)CC[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451580456 1029923903 /nfs/dbraw/zinc/92/39/03/1029923903.db2.gz HZAFTWVIARALPH-QMMMGPOBSA-N -1 1 321.826 3.581 20 0 DHADMM CCO[C@@H](CC(=O)Nc1ccc([O-])c(Cl)c1)C1=CCCC1 ZINC000357373586 1030023842 /nfs/dbraw/zinc/02/38/42/1030023842.db2.gz LGEJOBMJVHHPFQ-HNNXBMFYSA-N -1 1 309.793 3.890 20 0 DHADMM CCOc1cc(C(=O)N(CC)CC2CCC2)cc(Cl)c1[O-] ZINC000358185112 1030367764 /nfs/dbraw/zinc/36/77/64/1030367764.db2.gz OREUOCAJYCSJAF-UHFFFAOYSA-N -1 1 311.809 3.707 20 0 DHADMM CC(C)[C@@H](NC(=O)c1ccc([O-])cn1)c1ccccc1Cl ZINC001136784929 1030410343 /nfs/dbraw/zinc/41/03/43/1030410343.db2.gz IXOYDWDNRASMDH-OAHLLOKOSA-N -1 1 304.777 3.568 20 0 DHADMM CC(C)[C@@](C)(Cc1ccccc1)C(=O)[N-]OCC(F)(F)F ZINC000866733324 1030430431 /nfs/dbraw/zinc/43/04/31/1030430431.db2.gz KWYZITZCWYMRFV-CQSZACIVSA-N -1 1 303.324 3.502 20 0 DHADMM CC[C@@H](C)[C@H](C)NC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001136855140 1030524196 /nfs/dbraw/zinc/52/41/96/1030524196.db2.gz VTSRSVQYBDQHDF-NEPJUHHUSA-N -1 1 315.369 3.629 20 0 DHADMM CCC1CCC(N(C(=O)c2ncc(C)cc2[O-])C2CC2)CC1 ZINC000358615870 1030560009 /nfs/dbraw/zinc/56/00/09/1030560009.db2.gz LQZONYWAOMXRQE-UHFFFAOYSA-N -1 1 302.418 3.669 20 0 DHADMM O=C(c1ccc(Br)c([O-])c1)N1CCC2(CCCC2)C1 ZINC000123036332 1030956541 /nfs/dbraw/zinc/95/65/41/1030956541.db2.gz IARBDHQNFFZSEX-UHFFFAOYSA-N -1 1 324.218 3.561 20 0 DHADMM C[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000263415519 1031192642 /nfs/dbraw/zinc/19/26/42/1031192642.db2.gz NCJOPWOGZHKBIP-SNVBAGLBSA-N -1 1 309.818 3.973 20 0 DHADMM C[C@H](C(=O)[O-])N(C)Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000263415519 1031192652 /nfs/dbraw/zinc/19/26/52/1031192652.db2.gz NCJOPWOGZHKBIP-SNVBAGLBSA-N -1 1 309.818 3.973 20 0 DHADMM Cc1ccc2nc(-c3cnc4c(c3)CCCC4=O)[n-]c(=O)c2c1C ZINC000871601328 1031241576 /nfs/dbraw/zinc/24/15/76/1031241576.db2.gz JPCBTMOXUKDAAT-UHFFFAOYSA-N -1 1 319.364 3.533 20 0 DHADMM CC(C)(C)OCc1cc(CNCc2cccc([O-])c2Cl)no1 ZINC000293191679 1031366375 /nfs/dbraw/zinc/36/63/75/1031366375.db2.gz HZGGLUHXXDLAJV-UHFFFAOYSA-N -1 1 324.808 3.639 20 0 DHADMM CCOc1cccc(F)c1CN[C@H](CC(=O)[O-])c1cccs1 ZINC000871878582 1031369759 /nfs/dbraw/zinc/36/97/59/1031369759.db2.gz PCPKQUDFUAYNFE-CYBMUJFWSA-N -1 1 323.389 3.592 20 0 DHADMM Cc1cccnc1-n1[n-]c(Cc2ccccc2)c(C(C)C)c1=O ZINC000871955194 1031384547 /nfs/dbraw/zinc/38/45/47/1031384547.db2.gz KPURKUBTLGPWAS-QGZVFWFLSA-N -1 1 307.397 3.608 20 0 DHADMM C[C@@H](CC(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1)c1ccccc1 ZINC001144419145 1031572922 /nfs/dbraw/zinc/57/29/22/1031572922.db2.gz CWKURNYYDBPLFM-AWEZNQCLSA-N -1 1 321.380 3.710 20 0 DHADMM Cc1ccc([C@@H](C)NC(=O)NCc2ccc([O-])c(Cl)c2)s1 ZINC000872988751 1031688064 /nfs/dbraw/zinc/68/80/64/1031688064.db2.gz CZABWAFWMITGQF-SNVBAGLBSA-N -1 1 324.833 3.976 20 0 DHADMM CC(C)(CNC(=O)NCc1ccc([O-])c(Cl)c1)C(C)(F)F ZINC000873092335 1031708970 /nfs/dbraw/zinc/70/89/70/1031708970.db2.gz FXZIUXLUUBPGLP-UHFFFAOYSA-N -1 1 320.767 3.526 20 0 DHADMM COc1ccc([C@H](C)N(C)Cc2c(F)cc([O-])cc2F)cc1 ZINC001144558736 1031711619 /nfs/dbraw/zinc/71/16/19/1031711619.db2.gz BNNLLXYFNPHUQR-NSHDSACASA-N -1 1 307.340 3.872 20 0 DHADMM CC(C)N(CC(=O)c1ccccc1)Cc1c(F)cc([O-])cc1F ZINC001144560225 1031714215 /nfs/dbraw/zinc/71/42/15/1031714215.db2.gz WEQYFDORBQYKMC-UHFFFAOYSA-N -1 1 319.351 3.764 20 0 DHADMM CC1(C)CN(C(=O)c2ccc(Cl)cc2[O-])[C@H]1c1ccncc1 ZINC000294063370 1031781916 /nfs/dbraw/zinc/78/19/16/1031781916.db2.gz WJSDIGUESCOCSG-HNNXBMFYSA-N -1 1 316.788 3.664 20 0 DHADMM CCOC(=O)c1cnc(NC(=O)CCCCCC(C)(C)C)[n-]1 ZINC001144676700 1031812149 /nfs/dbraw/zinc/81/21/49/1031812149.db2.gz JWERPHNXKWBWST-UHFFFAOYSA-N -1 1 309.410 3.522 20 0 DHADMM CCOC(=O)c1c[n-]c(NC(=O)CCCCCC(C)(C)C)n1 ZINC001144676700 1031812167 /nfs/dbraw/zinc/81/21/67/1031812167.db2.gz JWERPHNXKWBWST-UHFFFAOYSA-N -1 1 309.410 3.522 20 0 DHADMM O=C([O-])c1cccc(CN2CCC[C@@](F)(c3ccccc3)C2)c1 ZINC000874045144 1031966022 /nfs/dbraw/zinc/96/60/22/1031966022.db2.gz OYMLWPQROQOVOJ-IBGZPJMESA-N -1 1 313.372 3.846 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1cc(C2CC2)cnc1Cl ZINC000793737175 1031968205 /nfs/dbraw/zinc/96/82/05/1031968205.db2.gz VNNLKJPHONATQR-UHFFFAOYSA-N -1 1 306.724 3.709 20 0 DHADMM O=C(NCCC[C@H]1CC1(Cl)Cl)c1c([O-])cccc1Cl ZINC000846588232 1032019227 /nfs/dbraw/zinc/01/92/27/1032019227.db2.gz QDLJNJKWZLEXOX-QMMMGPOBSA-N -1 1 322.619 3.749 20 0 DHADMM C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(Br)cc1[O-] ZINC000044490465 1032051568 /nfs/dbraw/zinc/05/15/68/1032051568.db2.gz NVHJTWGZUVGJLA-AOOOYVTPSA-N -1 1 312.207 3.558 20 0 DHADMM CCc1ccc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)cc1 ZINC001212690064 1033462264 /nfs/dbraw/zinc/46/22/64/1033462264.db2.gz VUARRJURAAHZPS-UHFFFAOYSA-N -1 1 308.263 3.708 20 0 DHADMM CCc1ccc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)cc1 ZINC001212690064 1033462272 /nfs/dbraw/zinc/46/22/72/1033462272.db2.gz VUARRJURAAHZPS-UHFFFAOYSA-N -1 1 308.263 3.708 20 0 DHADMM CCOc1cc(C(=O)N2CC[C@@H]2C2CCCC2)cc(Cl)c1[O-] ZINC000889392870 1033655523 /nfs/dbraw/zinc/65/55/23/1033655523.db2.gz WNNJZTVAVKGDQN-CQSZACIVSA-N -1 1 323.820 3.849 20 0 DHADMM Cc1cccc(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)c1 ZINC000479254179 1033699533 /nfs/dbraw/zinc/69/95/33/1033699533.db2.gz YEHOSDSPIWIJTR-UHFFFAOYSA-N -1 1 324.405 3.858 20 0 DHADMM Cc1cccc(S(=O)(=O)[N-]c2ccc(C3CC3)c(C)c2)c1 ZINC000479584928 1033824856 /nfs/dbraw/zinc/82/48/56/1033824856.db2.gz ZAPBKKFQTDQZPA-UHFFFAOYSA-N -1 1 301.411 3.982 20 0 DHADMM CCOC(=O)CC(C)(C)CCSc1nc(C2CC2)cc(=O)[n-]1 ZINC000553769461 1033828972 /nfs/dbraw/zinc/82/89/72/1033828972.db2.gz HCXIYVKGCOOQHR-UHFFFAOYSA-N -1 1 324.446 3.521 20 0 DHADMM CC[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000479721896 1033882782 /nfs/dbraw/zinc/88/27/82/1033882782.db2.gz KHAOXWLWAZQXFK-DOMZBBRYSA-N -1 1 313.401 3.937 20 0 DHADMM CN(C)C(=O)c1ccc(Nc2cc([O-])c(Cl)cc2F)cc1 ZINC001174006044 1034034296 /nfs/dbraw/zinc/03/42/96/1034034296.db2.gz MFJOEILAKSGXKN-UHFFFAOYSA-N -1 1 308.740 3.630 20 0 DHADMM Cc1c(Cl)cc(Nc2ccc(C(N)=O)cc2)c([O-])c1Cl ZINC001174051816 1034058089 /nfs/dbraw/zinc/05/80/89/1034058089.db2.gz YIIYEXFALOADDE-UHFFFAOYSA-N -1 1 311.168 3.850 20 0 DHADMM CC(C)CNC(=O)c1cccc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001174194162 1034213589 /nfs/dbraw/zinc/21/35/89/1034213589.db2.gz YRXNEDMTAPWVQH-UHFFFAOYSA-N -1 1 320.339 3.800 20 0 DHADMM CCc1c(Cl)cc(Nc2ccc(=O)n(C)c2)c([O-])c1Cl ZINC001174359909 1034335668 /nfs/dbraw/zinc/33/56/68/1034335668.db2.gz SJFBPMIQRKOAPZ-UHFFFAOYSA-N -1 1 313.184 3.704 20 0 DHADMM CC(C)c1nnc([N-]C(=O)c2conc2C2CCCC2)s1 ZINC000864969202 1034487081 /nfs/dbraw/zinc/48/70/81/1034487081.db2.gz LVGUGTPHSDCKJK-UHFFFAOYSA-N -1 1 306.391 3.559 20 0 DHADMM [O-]c1c(Br)c(F)ccc1Nc1cc(F)ccc1O ZINC001174628181 1034516071 /nfs/dbraw/zinc/51/60/71/1034516071.db2.gz WYRBRVAEPWFKLI-UHFFFAOYSA-N -1 1 316.101 3.882 20 0 DHADMM CCOc1cc(C(=O)N(C)[C@@H](C)c2ccco2)cc(Cl)c1[O-] ZINC000186579557 1034644592 /nfs/dbraw/zinc/64/45/92/1034644592.db2.gz BSJMEQFTDFSJHN-JTQLQIEISA-N -1 1 323.776 3.871 20 0 DHADMM CCOc1cc(C(=O)N([C@H](C)C2CC2)C2CC2)cc(Cl)c1[O-] ZINC000186594822 1034646652 /nfs/dbraw/zinc/64/66/52/1034646652.db2.gz YYBMZZSGXPOBTB-SNVBAGLBSA-N -1 1 323.820 3.847 20 0 DHADMM CCOc1cc(C(=O)N2CCC[C@H]3CCC[C@@H]32)cc(Cl)c1[O-] ZINC000186835362 1034666470 /nfs/dbraw/zinc/66/64/70/1034666470.db2.gz ORXILLPRIJFFJG-RISCZKNCSA-N -1 1 323.820 3.849 20 0 DHADMM CCOc1cc(C(=O)Nc2ccc(C)nc2C)cc(Cl)c1[O-] ZINC000186860053 1034669108 /nfs/dbraw/zinc/66/91/08/1034669108.db2.gz NESRQABERRSATL-UHFFFAOYSA-N -1 1 320.776 3.708 20 0 DHADMM CCOc1ccc(Nc2cc3ccc([O-])cc3oc2=O)cc1F ZINC001175067358 1034756777 /nfs/dbraw/zinc/75/67/77/1034756777.db2.gz QGPYUCYZUGPHNE-UHFFFAOYSA-N -1 1 315.300 3.780 20 0 DHADMM CC(C)OC(=O)c1ccc(Nc2ccnc(Cl)c2[O-])cc1 ZINC001175258799 1034908712 /nfs/dbraw/zinc/90/87/12/1034908712.db2.gz SVDIXACMXWCYKN-UHFFFAOYSA-N -1 1 306.749 3.749 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cnc4ccsc4c3)n2)c(F)c1 ZINC000556000925 1035005507 /nfs/dbraw/zinc/00/55/07/1035005507.db2.gz ZDLLCQIMNDSPEQ-UHFFFAOYSA-N -1 1 313.313 3.858 20 0 DHADMM CC(C)[C@@H]1N(C(=O)c2ncc3ccccc3c2[O-])CC12CCC2 ZINC000615166880 1035095462 /nfs/dbraw/zinc/09/54/62/1035095462.db2.gz FJGCLSYDDYVABF-KRWDZBQOSA-N -1 1 310.397 3.591 20 0 DHADMM O=C(Nc1cnccc1-c1ccc(F)cc1)c1ccccc1[O-] ZINC001175763963 1035113553 /nfs/dbraw/zinc/11/35/53/1035113553.db2.gz LXBJQKALNPDGIH-UHFFFAOYSA-N -1 1 308.312 3.846 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)CC2CCCC2)c1 ZINC000482606743 1035146421 /nfs/dbraw/zinc/14/64/21/1035146421.db2.gz SHWUZOINBBSVSF-UHFFFAOYSA-N -1 1 312.207 3.982 20 0 DHADMM COC(=O)C1(c2ccc(Nc3cc([O-])c(F)c(F)c3)cc2)CC1 ZINC001175921024 1035162956 /nfs/dbraw/zinc/16/29/56/1035162956.db2.gz NQNRJRYGHZKIAE-UHFFFAOYSA-N -1 1 319.307 3.619 20 0 DHADMM O=C(NCC[C@H]1CCCC1(F)F)c1ccc(Cl)cc1[O-] ZINC001175959517 1035166055 /nfs/dbraw/zinc/16/60/55/1035166055.db2.gz VJOUVNDNEVKNBF-SECBINFHSA-N -1 1 303.736 3.601 20 0 DHADMM CCN(CC)C(=O)c1cc(F)cc([N-]c2nnc(C(C)C)o2)c1 ZINC001176296182 1035239091 /nfs/dbraw/zinc/23/90/91/1035239091.db2.gz WUVZPPVEUMVVBC-UHFFFAOYSA-N -1 1 320.368 3.558 20 0 DHADMM C[C@@H](OC(=O)c1ccc([O-])cc1F)C(=O)c1ccc(Cl)cc1 ZINC000773566425 1035251499 /nfs/dbraw/zinc/25/14/99/1035251499.db2.gz NPNGSRWVRMRRGQ-SECBINFHSA-N -1 1 322.719 3.613 20 0 DHADMM CCCCc1nc(COC(=O)c2ccc([O-])cc2F)cs1 ZINC000773576010 1035257113 /nfs/dbraw/zinc/25/71/13/1035257113.db2.gz ZWSSLQWSZGVMDE-UHFFFAOYSA-N -1 1 309.362 3.687 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CC23CCC3)c1 ZINC000679242995 1035287655 /nfs/dbraw/zinc/28/76/55/1035287655.db2.gz DMVVTKUDZMVSRD-VIFPVBQESA-N -1 1 310.191 3.592 20 0 DHADMM O=C1CCCc2nc(Nc3c(F)cc(F)c([O-])c3F)sc21 ZINC001176664364 1035308996 /nfs/dbraw/zinc/30/89/96/1035308996.db2.gz WGVCMRDDGHLKRT-UHFFFAOYSA-N -1 1 314.288 3.529 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ccc(C(F)(F)F)nc2)c1F ZINC001176663451 1035309136 /nfs/dbraw/zinc/30/91/36/1035309136.db2.gz FGBRJPRTEZLCJU-UHFFFAOYSA-N -1 1 308.181 3.967 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ccc3c(c2)OCCCO3)c1F ZINC001176669666 1035309901 /nfs/dbraw/zinc/30/99/01/1035309901.db2.gz JUFTZCOMELGEGE-UHFFFAOYSA-N -1 1 311.259 3.714 20 0 DHADMM COC(=O)c1cc(Nc2c(F)cc(F)c([O-])c2F)ccc1C ZINC001176671368 1035309953 /nfs/dbraw/zinc/30/99/53/1035309953.db2.gz BBZNMDAPKGLXSZ-UHFFFAOYSA-N -1 1 311.259 3.648 20 0 DHADMM CN(c1cc(Cl)ccc1N)c1c(F)cc(F)c([O-])c1F ZINC001176672157 1035310068 /nfs/dbraw/zinc/31/00/68/1035310068.db2.gz FUAMLVUKAIBHET-UHFFFAOYSA-N -1 1 302.683 3.813 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ccccc2C2OCCO2)c1F ZINC001176673762 1035311975 /nfs/dbraw/zinc/31/19/75/1035311975.db2.gz KMBYFYYEMKPWRL-UHFFFAOYSA-N -1 1 311.259 3.599 20 0 DHADMM O=c1[nH]ccc2c(Nc3c(F)cc(F)c([O-])c3F)cccc12 ZINC001176673682 1035312256 /nfs/dbraw/zinc/31/22/56/1035312256.db2.gz WCHJKACLWFHENX-UHFFFAOYSA-N -1 1 306.243 3.807 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ncccc2Br)c1F ZINC001176661674 1035317390 /nfs/dbraw/zinc/31/73/90/1035317390.db2.gz BQNKWGDRNKPJCL-UHFFFAOYSA-N -1 1 319.080 3.711 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ccnc(C(F)(F)F)c2)c1F ZINC001176663246 1035318249 /nfs/dbraw/zinc/31/82/49/1035318249.db2.gz DMASNYXQCWBMSL-UHFFFAOYSA-N -1 1 308.181 3.967 20 0 DHADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(-c2ccc[nH]2)cc1 ZINC000484113023 1035320340 /nfs/dbraw/zinc/32/03/40/1035320340.db2.gz IVUHZFZVPDGTKD-UHFFFAOYSA-N -1 1 312.394 3.791 20 0 DHADMM COc1cccc2cc(CN[C@@H](CCCC(C)C)C(=O)[O-])oc21 ZINC000904037909 1035349268 /nfs/dbraw/zinc/34/92/68/1035349268.db2.gz CVTIGIXGBZQCML-HNNXBMFYSA-N -1 1 319.401 3.811 20 0 DHADMM CCc1ccc(C(=O)Nc2nc3cc(Cl)ccc3[nH]2)c([O-])c1 ZINC001177128407 1035349806 /nfs/dbraw/zinc/34/98/06/1035349806.db2.gz LEZIGNMPQYJIJC-UHFFFAOYSA-N -1 1 315.760 3.737 20 0 DHADMM CC(C)CCC[C@H](NCc1cnc(C(C)(C)C)s1)C(=O)[O-] ZINC000904038456 1035350190 /nfs/dbraw/zinc/35/01/90/1035350190.db2.gz MJWCKEUVDTYKOQ-ZDUSSCGKSA-N -1 1 312.479 3.810 20 0 DHADMM O=C(NCc1cccc2ncccc12)c1cc(Cl)ccc1[O-] ZINC001177272186 1035362148 /nfs/dbraw/zinc/36/21/48/1035362148.db2.gz UAWUMUHDVDQRKU-UHFFFAOYSA-N -1 1 312.756 3.524 20 0 DHADMM CCCc1ccc([C@@H](N[C@@H](C)C(=O)[O-])c2cccs2)cc1 ZINC000904204800 1035384954 /nfs/dbraw/zinc/38/49/54/1035384954.db2.gz ZDKDTQMNBLYXAK-BLLLJJGKSA-N -1 1 303.427 3.853 20 0 DHADMM COc1ccccc1-c1noc(-c2cc(SC)ccc2[O-])n1 ZINC000904268117 1035390666 /nfs/dbraw/zinc/39/06/66/1035390666.db2.gz XSWYBTYHNVODTI-UHFFFAOYSA-N -1 1 314.366 3.840 20 0 DHADMM [O-]c1ccc(Cc2nc(-c3ccc(F)cc3)no2)cc1Cl ZINC000904271071 1035391821 /nfs/dbraw/zinc/39/18/21/1035391821.db2.gz HRIIBBRCCKSRPN-UHFFFAOYSA-N -1 1 304.708 3.826 20 0 DHADMM CCc1cc(=O)[n-]c(S[C@@H]2CCCc3ccc(F)cc32)n1 ZINC000195060956 1035406572 /nfs/dbraw/zinc/40/65/72/1035406572.db2.gz VWWYKNNRXDFKFD-CQSZACIVSA-N -1 1 304.390 3.641 20 0 DHADMM CSc1ccc([O-])c(-c2nc(CCc3ccccc3)no2)c1 ZINC000904580713 1035426313 /nfs/dbraw/zinc/42/63/13/1035426313.db2.gz VPGQFCZUNOCNAG-UHFFFAOYSA-N -1 1 312.394 3.949 20 0 DHADMM CC[C@H]1CCCC[C@H]1C(=O)NCCc1c(F)cc([O-])cc1F ZINC001178784646 1035447265 /nfs/dbraw/zinc/44/72/65/1035447265.db2.gz ABJIQEPBIYBZFG-WCQYABFASA-N -1 1 311.372 3.546 20 0 DHADMM [O-]c1cc(-c2cccc(CO[C@H]3CCOC3)c2)cc(F)c1F ZINC000904795510 1035458043 /nfs/dbraw/zinc/45/80/43/1035458043.db2.gz AWFCMFGCFDCKRT-AWEZNQCLSA-N -1 1 306.308 3.643 20 0 DHADMM C[C@]12CN(C(=O)c3ccc(Cl)cc3[O-])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001179444252 1035478308 /nfs/dbraw/zinc/47/83/08/1035478308.db2.gz CQUSQQHPTAUVAD-NBBKGKMJSA-N -1 1 305.805 3.554 20 0 DHADMM CCOc1ccc(CC(=O)Nc2cc(F)c([O-])cc2Cl)cc1 ZINC001179655151 1035487261 /nfs/dbraw/zinc/48/72/61/1035487261.db2.gz DZWPGYQRZQWLIJ-UHFFFAOYSA-N -1 1 323.751 3.765 20 0 DHADMM CCn1cc(Cl)cc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001179660526 1035488043 /nfs/dbraw/zinc/48/80/43/1035488043.db2.gz VIVWOQSXSBWPRK-UHFFFAOYSA-N -1 1 317.147 3.912 20 0 DHADMM COc1cc(C)sc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001179660163 1035488587 /nfs/dbraw/zinc/48/85/87/1035488587.db2.gz NGXCMGDSVBCODC-UHFFFAOYSA-N -1 1 315.753 3.816 20 0 DHADMM C[C@@H](CC(F)(F)F)C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001179868807 1035526495 /nfs/dbraw/zinc/52/64/95/1035526495.db2.gz QEJNOJBASWTNEL-LURJTMIESA-N -1 1 315.213 3.938 20 0 DHADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000195654142 1035630979 /nfs/dbraw/zinc/63/09/79/1035630979.db2.gz CRSWYCCWCUDWLS-UHFFFAOYSA-N -1 1 317.410 3.697 20 0 DHADMM Cc1ccc(C(F)(F)F)c([N-]S(=O)(=O)CC2CCC2)c1 ZINC001193516260 1035657085 /nfs/dbraw/zinc/65/70/85/1035657085.db2.gz RPRDGWVKPCOJLJ-UHFFFAOYSA-N -1 1 307.337 3.556 20 0 DHADMM Cc1cc2nc(NC(=O)c3ccc(F)c([O-])c3)sc2cc1F ZINC001180541670 1035715488 /nfs/dbraw/zinc/71/54/88/1035715488.db2.gz BNUZZCKDOJHHOQ-UHFFFAOYSA-N -1 1 320.320 3.841 20 0 DHADMM Cc1cccnc1[C@H](C)NC(=O)c1cc2ccccc2cc1[O-] ZINC001180701041 1035747693 /nfs/dbraw/zinc/74/76/93/1035747693.db2.gz HIOCSNIRACZVEA-ZDUSSCGKSA-N -1 1 306.365 3.740 20 0 DHADMM Cc1cccc2cccc([N-]S(=O)(=O)c3ccccc3N)c12 ZINC001193938358 1035765628 /nfs/dbraw/zinc/76/56/28/1035765628.db2.gz SEDLBPUMMNOUBO-UHFFFAOYSA-N -1 1 312.394 3.531 20 0 DHADMM C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc([O-])c(F)c1F ZINC001180802868 1035766893 /nfs/dbraw/zinc/76/68/93/1035766893.db2.gz XTKOQGLABJDMGJ-WCBMZHEXSA-N -1 1 309.278 3.833 20 0 DHADMM CCC(=O)c1cccc([N-]S(=O)(=O)c2c(C)cccc2C)c1 ZINC001194641825 1035975894 /nfs/dbraw/zinc/97/58/94/1035975894.db2.gz ALNIQVIDRYIBFZ-UHFFFAOYSA-N -1 1 317.410 3.697 20 0 DHADMM CN(c1cc(Cl)c([O-])cc1F)c1nc(Cl)ccc1N ZINC001250023275 1036017131 /nfs/dbraw/zinc/01/71/31/1036017131.db2.gz GKOXJKXIDZWSHQ-UHFFFAOYSA-N -1 1 302.136 3.583 20 0 DHADMM Cc1ccnc2cc(NC(=O)c3c[n-]c(C(F)(F)F)n3)ccc12 ZINC001194783819 1036019976 /nfs/dbraw/zinc/01/99/76/1036019976.db2.gz UMGYLLSFTJESPL-UHFFFAOYSA-N -1 1 320.274 3.537 20 0 DHADMM CC[C@H](C)COC(=O)Nc1ccc(Br)cc1[O-] ZINC001194800367 1036034451 /nfs/dbraw/zinc/03/44/51/1036034451.db2.gz IPTZRSWOKROFEY-QMMMGPOBSA-N -1 1 302.168 3.749 20 0 DHADMM COc1nccc2cc(NCc3ccc([O-])c(F)c3F)ccc21 ZINC001181892191 1036035987 /nfs/dbraw/zinc/03/59/87/1036035987.db2.gz JPWUEPBWHTWVLR-UHFFFAOYSA-N -1 1 316.307 3.839 20 0 DHADMM CC1(C)C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2[O-])CCO1 ZINC001182021996 1036087623 /nfs/dbraw/zinc/08/76/23/1036087623.db2.gz BXNLEGZWGYYORA-SECBINFHSA-N -1 1 317.307 3.555 20 0 DHADMM Cc1nc(SCc2csc(-c3ccoc3)n2)[n-]c(=O)c1C ZINC000540716556 1036137412 /nfs/dbraw/zinc/13/74/12/1036137412.db2.gz YSMXJSKJFGLSEX-UHFFFAOYSA-N -1 1 319.411 3.808 20 0 DHADMM Cc1c(O)cccc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC001195156048 1036162554 /nfs/dbraw/zinc/16/25/54/1036162554.db2.gz FAVMTUBUUWYFLJ-UHFFFAOYSA-N -1 1 305.399 3.625 20 0 DHADMM O=C(Nc1cc2ccccc2s1)c1cc([O-])cnc1Cl ZINC001195298441 1036212245 /nfs/dbraw/zinc/21/22/45/1036212245.db2.gz XRCTVXHQHSVAQJ-UHFFFAOYSA-N -1 1 304.758 3.908 20 0 DHADMM O=C(c1cc([O-])cnc1Cl)N1CCC[C@H]1C1CCCCC1 ZINC001195305669 1036215456 /nfs/dbraw/zinc/21/54/56/1036215456.db2.gz MKSMRULTRJNDHS-AWEZNQCLSA-N -1 1 308.809 3.626 20 0 DHADMM Cc1ccccc1CC(C)(C)NC(=O)c1cc([O-])cnc1Cl ZINC001195314461 1036219835 /nfs/dbraw/zinc/21/98/35/1036219835.db2.gz FLVOIKHWGZAFRC-UHFFFAOYSA-N -1 1 318.804 3.500 20 0 DHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])[C@@H]1C[C@H]1C(F)(F)F ZINC001182322223 1036223476 /nfs/dbraw/zinc/22/34/76/1036223476.db2.gz OFMKXMRALALIIR-IYSWYEEDSA-N -1 1 313.197 3.548 20 0 DHADMM CCCC(=O)c1ccc([O-])cc1O[C@@H]1CC(F)(F)C1(F)F ZINC001233650107 1036230606 /nfs/dbraw/zinc/23/06/06/1036230606.db2.gz HMQQPJZCSFKOAD-GFCCVEGCSA-N -1 1 306.255 3.797 20 0 DHADMM O=c1nc(-c2ccc(OC(F)(F)F)cc2)[n-]c2ccsc21 ZINC000486432414 1036249254 /nfs/dbraw/zinc/24/92/54/1036249254.db2.gz IDEYMFOHRBVJCB-UHFFFAOYSA-N -1 1 312.272 3.550 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1ccc(F)cc1-c1ccccc1 ZINC001195494666 1036272917 /nfs/dbraw/zinc/27/29/17/1036272917.db2.gz PGDRCGTZTHUOGK-UHFFFAOYSA-N -1 1 318.373 3.936 20 0 DHADMM [O-]c1cc(NC(=S)NCc2ccccc2)c(F)cc1Cl ZINC001195626361 1036292095 /nfs/dbraw/zinc/29/20/95/1036292095.db2.gz GIGMGKGBSBHABO-UHFFFAOYSA-N -1 1 310.781 3.671 20 0 DHADMM CCC(C)(C)CC(=O)Nc1cccc([O-])c1Br ZINC000908713392 1036488960 /nfs/dbraw/zinc/48/89/60/1036488960.db2.gz RNACIAHDPNPHIY-UHFFFAOYSA-N -1 1 300.196 3.920 20 0 DHADMM O=C(CCc1cccc(Cl)c1)Nc1nc(Cl)ccc1[O-] ZINC001183209754 1036548808 /nfs/dbraw/zinc/54/88/08/1036548808.db2.gz LPALQFJXMCZOPN-UHFFFAOYSA-N -1 1 311.168 3.665 20 0 DHADMM CC[C@@H](Cc1ccccc1)C(=O)Nc1nc(Cl)ccc1[O-] ZINC001183209532 1036550286 /nfs/dbraw/zinc/55/02/86/1036550286.db2.gz ASSYDDYSZTUJOL-LBPRGKRZSA-N -1 1 304.777 3.648 20 0 DHADMM CC(=O)c1ccc(NC(=S)Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001196555993 1036568953 /nfs/dbraw/zinc/56/89/53/1036568953.db2.gz HPTVAPWQDOMWEL-UHFFFAOYSA-N -1 1 322.336 3.682 20 0 DHADMM COc1cccc(SCc2cc(=O)oc3cc([O-])ccc23)c1 ZINC000027661394 1036621150 /nfs/dbraw/zinc/62/11/50/1036621150.db2.gz WOJZJIUVIDXBGJ-UHFFFAOYSA-N -1 1 314.362 3.800 20 0 DHADMM CC(C)(O)C=CNc1c([O-])c(Br)ccc1Cl ZINC001203226430 1036660895 /nfs/dbraw/zinc/66/08/95/1036660895.db2.gz BHOBLMZYZHOKOI-AATRIKPKSA-N -1 1 306.587 3.505 20 0 DHADMM O=C([N-]CCCSCc1ccccc1Cl)C(F)(F)F ZINC000774680353 1036671340 /nfs/dbraw/zinc/67/13/40/1036671340.db2.gz TXJWVNWZVBWJAF-UHFFFAOYSA-N -1 1 311.756 3.642 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)c1conc1C1CCCC1 ZINC000909973321 1036724958 /nfs/dbraw/zinc/72/49/58/1036724958.db2.gz WRDPYXPMACCWEO-UHFFFAOYSA-N -1 1 308.284 3.568 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)c1cc2c(s1)CCCC2 ZINC000909974534 1036728197 /nfs/dbraw/zinc/72/81/97/1036728197.db2.gz JCKIAXCHVCSRDT-UHFFFAOYSA-N -1 1 309.337 3.863 20 0 DHADMM CC(C)(C)OC1CC(CC(=O)Nc2cc([O-])c(F)cc2F)C1 ZINC000909986913 1036731029 /nfs/dbraw/zinc/73/10/29/1036731029.db2.gz XKQWHWSQFDXMNF-UHFFFAOYSA-N -1 1 313.344 3.593 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)C12CC(c3ccccc3)(C1)C2 ZINC000909986196 1036732801 /nfs/dbraw/zinc/73/28/01/1036732801.db2.gz CFVNMZONLIWSQB-UHFFFAOYSA-N -1 1 315.319 3.731 20 0 DHADMM CC(C)(C)c1cnc(CCC(=O)Nc2cc([O-])c(F)cc2F)o1 ZINC000909985966 1036733174 /nfs/dbraw/zinc/73/31/74/1036733174.db2.gz VFZFLGNAKSNGAI-UHFFFAOYSA-N -1 1 324.327 3.527 20 0 DHADMM C[C@@H](OC1CCCCCC1)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909984143 1036734017 /nfs/dbraw/zinc/73/40/17/1036734017.db2.gz JHJOKGVAIXTBLE-SNVBAGLBSA-N -1 1 313.344 3.737 20 0 DHADMM O=C(CC[C@H]1CC1(Cl)Cl)Nc1cc([O-])c(F)cc1F ZINC000909988374 1036740855 /nfs/dbraw/zinc/74/08/55/1036740855.db2.gz HWFVUQIYDZEJAX-LURJTMIESA-N -1 1 310.127 3.583 20 0 DHADMM CCS[C@H]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC001294398100 1036933704 /nfs/dbraw/zinc/93/37/04/1036933704.db2.gz YXJSSEMXWJSPDX-NEPJUHHUSA-N -1 1 313.850 3.840 20 0 DHADMM Cc1noc([N-]C(=O)c2sc3cc(F)ccc3c2Cl)n1 ZINC000042703319 1036945089 /nfs/dbraw/zinc/94/50/89/1036945089.db2.gz HHLXKIZWWOKBEF-UHFFFAOYSA-N -1 1 311.725 3.638 20 0 DHADMM O=C(NCCc1ccccc1)Nc1cc([O-])c(Cl)cc1F ZINC001184940060 1036971204 /nfs/dbraw/zinc/97/12/04/1036971204.db2.gz YIHOIDZAGBNPFQ-UHFFFAOYSA-N -1 1 308.740 3.549 20 0 DHADMM C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ncc2ccccc2c1[O-] ZINC000668844825 1036974805 /nfs/dbraw/zinc/97/48/05/1036974805.db2.gz KKPWVEXVRFUAQI-DVOMOZLQSA-N -1 1 310.397 3.734 20 0 DHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])c1cnc(C2CC2)o1 ZINC001185223063 1037069592 /nfs/dbraw/zinc/06/95/92/1037069592.db2.gz FSAPIUJLQFHQKO-UHFFFAOYSA-N -1 1 312.247 3.529 20 0 DHADMM O=C(Nc1cc(F)c(F)cc1[O-])Nc1ccc(F)c(F)c1F ZINC001185331138 1037113918 /nfs/dbraw/zinc/11/39/18/1037113918.db2.gz MPDUPINBMDKUKS-UHFFFAOYSA-N -1 1 318.201 3.732 20 0 DHADMM CN(C)c1ccc(NC(=S)Nc2cc(F)c(F)cc2[O-])cc1 ZINC001198763533 1037126584 /nfs/dbraw/zinc/12/65/84/1037126584.db2.gz RJZJMBTXHUXIIB-UHFFFAOYSA-N -1 1 323.368 3.545 20 0 DHADMM CN(C)c1ccc(NC(=S)Nc2cc([O-])c(F)cc2F)cc1 ZINC001198758544 1037126684 /nfs/dbraw/zinc/12/66/84/1037126684.db2.gz IUSNFTRKQGDTPM-UHFFFAOYSA-N -1 1 323.368 3.545 20 0 DHADMM CCc1ccc([N-]S(=O)(=O)c2ccc3occc3c2)cc1 ZINC001198816940 1037139022 /nfs/dbraw/zinc/13/90/22/1037139022.db2.gz STQAZILSEIODCG-UHFFFAOYSA-N -1 1 301.367 3.796 20 0 DHADMM CCc1ccccc1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198859133 1037149625 /nfs/dbraw/zinc/14/96/25/1037149625.db2.gz QIPSQCVISZVVCY-UHFFFAOYSA-N -1 1 301.367 3.796 20 0 DHADMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)c1 ZINC000176700855 1037162378 /nfs/dbraw/zinc/16/23/78/1037162378.db2.gz XAMLGVNEJLCQLK-LBPRGKRZSA-N -1 1 323.389 3.642 20 0 DHADMM CSc1ccc([O-])c(C(=O)Nc2ncsc2C2CC2)c1 ZINC000914120693 1037168730 /nfs/dbraw/zinc/16/87/30/1037168730.db2.gz AICCONQMTNCAKL-UHFFFAOYSA-N -1 1 306.412 3.700 20 0 DHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccnc(C(C)(C)C)c1 ZINC001185796472 1037237025 /nfs/dbraw/zinc/23/70/25/1037237025.db2.gz HVPTWWOYUXOLGI-UHFFFAOYSA-N -1 1 322.405 3.627 20 0 DHADMM Cc1cc(Cl)cc([N-]S(=O)(=O)c2cccc(F)c2C)c1 ZINC001185828930 1037244495 /nfs/dbraw/zinc/24/44/95/1037244495.db2.gz LGFXYZSWHURUIW-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM Cc1c(Cl)onc1C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001199674084 1037303600 /nfs/dbraw/zinc/30/36/00/1037303600.db2.gz MIWDXZUALDVSTK-UHFFFAOYSA-N -1 1 320.654 3.613 20 0 DHADMM [O-]c1ccc(F)c(Nc2cn3nc(Cl)ccc3n2)c1Cl ZINC001250228626 1037316656 /nfs/dbraw/zinc/31/66/56/1037316656.db2.gz HOWHRXBJAPBHGX-UHFFFAOYSA-N -1 1 313.119 3.624 20 0 DHADMM [O-]c1ccc(F)c(Nc2ccnn2Cc2cccnc2)c1Cl ZINC001250228628 1037318001 /nfs/dbraw/zinc/31/80/01/1037318001.db2.gz HRZFDPZXSIGKDJ-UHFFFAOYSA-N -1 1 318.739 3.568 20 0 DHADMM O=C(Nc1cc(F)c(Cl)nc1Cl)c1ccc([O-])c(F)c1 ZINC001186209572 1037344105 /nfs/dbraw/zinc/34/41/05/1037344105.db2.gz YFNYNKZRPQNWIU-UHFFFAOYSA-N -1 1 319.094 3.625 20 0 DHADMM CCCCN(Cc1ccccc1)C(=O)c1ccc([O-])c(F)c1 ZINC001186219315 1037346157 /nfs/dbraw/zinc/34/61/57/1037346157.db2.gz SXFCSLRGPCSXNX-UHFFFAOYSA-N -1 1 301.361 3.974 20 0 DHADMM CCOc1ccccc1CN(C)C(=O)c1cc(Cl)ccc1[O-] ZINC000054586822 1037355664 /nfs/dbraw/zinc/35/56/64/1037355664.db2.gz WENGUUZPGNMWKX-UHFFFAOYSA-N -1 1 319.788 3.717 20 0 DHADMM O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc([O-])cc1F ZINC000161497249 1037482969 /nfs/dbraw/zinc/48/29/69/1037482969.db2.gz JNHNPURKLOOSCM-UHFFFAOYSA-N -1 1 322.339 3.769 20 0 DHADMM Cc1cc(NC(=S)Nc2ccc([O-])c(F)c2F)ccc1F ZINC001201034432 1037514817 /nfs/dbraw/zinc/51/48/17/1037514817.db2.gz CUEDZEQFOQDVLE-UHFFFAOYSA-N -1 1 312.316 3.927 20 0 DHADMM O=S(=O)([N-][C@H]1CC=CCC1)c1cc(Cl)c(Cl)cc1F ZINC001201286188 1037585491 /nfs/dbraw/zinc/58/54/91/1037585491.db2.gz SAKHRMIQXJNAQI-QMMMGPOBSA-N -1 1 324.204 3.520 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)c2ccccc2F)c1 ZINC000182921345 1037678269 /nfs/dbraw/zinc/67/82/69/1037678269.db2.gz YMVDMNLSSJPMRW-UHFFFAOYSA-N -1 1 324.149 3.855 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)C(C2CC2)C2CC2)c1 ZINC000182926831 1037678707 /nfs/dbraw/zinc/67/87/07/1037678707.db2.gz ULKBWSOGXVQVTK-UHFFFAOYSA-N -1 1 324.218 3.838 20 0 DHADMM O=C(/C=C/c1ccnc(Cl)c1)Nc1ccc([O-])c(Cl)c1 ZINC000182871508 1037680502 /nfs/dbraw/zinc/68/05/02/1037680502.db2.gz XJTPTTDZHQGLCE-DAFODLJHSA-N -1 1 309.152 3.746 20 0 DHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000653825539 1037688323 /nfs/dbraw/zinc/68/83/23/1037688323.db2.gz GREQSIBOLCRZKE-TXEJJXNPSA-N -1 1 313.319 3.673 20 0 DHADMM CC(C)C1CCC([N-]S(=O)(=O)c2cc3ccccc3o2)CC1 ZINC001188010042 1037780763 /nfs/dbraw/zinc/78/07/63/1037780763.db2.gz WNXBHFCUXOFFKV-UHFFFAOYSA-N -1 1 321.442 3.926 20 0 DHADMM Cc1ccc2c(cccc2NC(=O)c2ncc(C(F)(F)F)[n-]2)n1 ZINC001188288773 1037856339 /nfs/dbraw/zinc/85/63/39/1037856339.db2.gz LMAOSYWJKWRMJA-UHFFFAOYSA-N -1 1 320.274 3.537 20 0 DHADMM Cc1ccc2c(cccc2NC(=O)c2nc(C(F)(F)F)c[n-]2)n1 ZINC001188288773 1037856357 /nfs/dbraw/zinc/85/63/57/1037856357.db2.gz LMAOSYWJKWRMJA-UHFFFAOYSA-N -1 1 320.274 3.537 20 0 DHADMM Cc1cncc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1 ZINC001201791921 1037894024 /nfs/dbraw/zinc/89/40/24/1037894024.db2.gz FTNNFAXKJOSSSX-UHFFFAOYSA-N -1 1 318.442 3.733 20 0 DHADMM O=C(Nc1ccc2oncc2c1)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188588087 1037936483 /nfs/dbraw/zinc/93/64/83/1037936483.db2.gz ZXWYVNFIGLADAB-UHFFFAOYSA-N -1 1 322.242 3.805 20 0 DHADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc2[nH]ccc21 ZINC000187393143 1037965301 /nfs/dbraw/zinc/96/53/01/1037965301.db2.gz PBJKUTRDWYONOU-UHFFFAOYSA-N -1 1 300.383 3.531 20 0 DHADMM [O-]c1cc(Nc2ccc(OCC(F)(F)F)nc2)cc(F)c1F ZINC001203688975 1037973627 /nfs/dbraw/zinc/97/36/27/1037973627.db2.gz JBAGLDCRXDUWNS-UHFFFAOYSA-N -1 1 320.217 3.750 20 0 DHADMM COc1ccc(NC(=O)Nc2ccc(Cl)cc2[O-])cc1OC ZINC001188800840 1037990908 /nfs/dbraw/zinc/99/09/08/1037990908.db2.gz YPHHWYYNIMDHTF-UHFFFAOYSA-N -1 1 322.748 3.707 20 0 DHADMM CCOc1ccccc1NC(=O)Nc1ccc([O-])c(F)c1F ZINC001202145148 1038058535 /nfs/dbraw/zinc/05/85/35/1038058535.db2.gz JTZKFUKSKLEKTP-UHFFFAOYSA-N -1 1 308.284 3.713 20 0 DHADMM O=c1[n-]c(F)c(Cl)c(Nc2ccc3cncn3c2)c1Cl ZINC001250326985 1038121112 /nfs/dbraw/zinc/12/11/12/1038121112.db2.gz FXUAJGJHDMMYHA-UHFFFAOYSA-N -1 1 313.119 3.624 20 0 DHADMM O=S(=O)(Cc1ccc(F)c(F)c1)[N-]c1cccc2occc21 ZINC001189315671 1038123262 /nfs/dbraw/zinc/12/32/62/1038123262.db2.gz BLMONDMKRINITI-UHFFFAOYSA-N -1 1 323.320 3.653 20 0 DHADMM Cc1ccc(/C=C/S(=O)(=O)[N-]c2cccc3cccnc32)cc1 ZINC000055574836 1038190570 /nfs/dbraw/zinc/19/05/70/1038190570.db2.gz LWMSKEYAJYRCKG-ACCUITESSA-N -1 1 324.405 3.956 20 0 DHADMM Cc1ccc(/C=C\S(=O)(=O)[N-]c2cccc3cccnc32)cc1 ZINC000055574835 1038191484 /nfs/dbraw/zinc/19/14/84/1038191484.db2.gz LWMSKEYAJYRCKG-QBFSEMIESA-N -1 1 324.405 3.956 20 0 DHADMM O=c1cc(CSC[C@@H]2C[C@H]3C[C@H]3C2)c2ccc([O-])cc2o1 ZINC001189815981 1038219640 /nfs/dbraw/zinc/21/96/40/1038219640.db2.gz GFEAFQZQCSCYEU-ZSBIGDGJSA-N -1 1 302.395 3.778 20 0 DHADMM O=C([O-])c1ccoc1CN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000571888521 1038259927 /nfs/dbraw/zinc/25/99/27/1038259927.db2.gz PLUDVUPQAMJIJU-AWEZNQCLSA-N -1 1 305.761 3.968 20 0 DHADMM O=S(=O)([N-]c1ccccc1Cl)c1cc(F)cc(F)c1F ZINC001190347175 1038304105 /nfs/dbraw/zinc/30/41/05/1038304105.db2.gz AOFSGSBPYSQCEN-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1 ZINC001190464692 1038326175 /nfs/dbraw/zinc/32/61/75/1038326175.db2.gz SQZNBKLQPDSBSV-UHFFFAOYSA-N -1 1 315.394 3.567 20 0 DHADMM CCc1ccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)c(O)c1 ZINC001191147843 1038450162 /nfs/dbraw/zinc/45/01/62/1038450162.db2.gz SFQPFHVOEVPOJS-UHFFFAOYSA-N -1 1 321.760 3.575 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)C2(CF)CCC2)c1 ZINC000572605681 1038475108 /nfs/dbraw/zinc/47/51/08/1038475108.db2.gz UAIZUEJXKMEVEL-UHFFFAOYSA-N -1 1 316.170 3.541 20 0 DHADMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(COC(C)C)cc1 ZINC000589435949 1038483492 /nfs/dbraw/zinc/48/34/92/1038483492.db2.gz RBDBOBOJQZRNOY-UHFFFAOYSA-N -1 1 319.426 3.721 20 0 DHADMM Cn1c(-c2nc(-c3ccc([O-])cc3F)no2)cc2ccccc21 ZINC000572824615 1038505462 /nfs/dbraw/zinc/50/54/62/1038505462.db2.gz MZSRNGNVWYSPTF-UHFFFAOYSA-N -1 1 309.300 3.740 20 0 DHADMM O=C(Nc1ccnc(Cl)c1Cl)c1c(F)ccc([O-])c1F ZINC001192523388 1038669735 /nfs/dbraw/zinc/66/97/35/1038669735.db2.gz AHVOHHWEMXGAJC-UHFFFAOYSA-N -1 1 319.094 3.625 20 0 DHADMM O=C(Nc1ccc(C(=O)C2CC2)cc1)c1c(F)ccc([O-])c1F ZINC001192540508 1038678138 /nfs/dbraw/zinc/67/81/38/1038678138.db2.gz WDAOLMSCMUHDKW-UHFFFAOYSA-N -1 1 317.291 3.515 20 0 DHADMM Cc1ccc2cccnc2c1NC(=O)c1c(F)ccc([O-])c1F ZINC001192541397 1038678174 /nfs/dbraw/zinc/67/81/74/1038678174.db2.gz UYBHISGFFRCEFC-UHFFFAOYSA-N -1 1 314.291 3.779 20 0 DHADMM Cc1cc(NC(=O)c2cc([O-])cc(F)c2F)cc2scnc21 ZINC001192670255 1038690756 /nfs/dbraw/zinc/69/07/56/1038690756.db2.gz GHBQONCTGOLHMM-UHFFFAOYSA-N -1 1 320.320 3.841 20 0 DHADMM CCc1cccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1O ZINC000573407213 1038933109 /nfs/dbraw/zinc/93/31/09/1038933109.db2.gz ODDAGGKBGMHFCQ-UHFFFAOYSA-N -1 1 300.289 3.516 20 0 DHADMM Cc1[n-][nH]c(=O)c1NC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC000615222160 1039251308 /nfs/dbraw/zinc/25/13/08/1039251308.db2.gz QZPMXBAZBWUGGF-UHFFFAOYSA-N -1 1 317.433 3.749 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1csc(-c2ccccc2)n1 ZINC000605435007 1039681277 /nfs/dbraw/zinc/68/12/77/1039681277.db2.gz FBASKBPVBHRFDZ-UHFFFAOYSA-N -1 1 314.341 3.907 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1cc(-c2cccs2)on1 ZINC000605435632 1039682104 /nfs/dbraw/zinc/68/21/04/1039682104.db2.gz HZYQDBUMFXTOQL-UHFFFAOYSA-N -1 1 304.302 3.500 20 0 DHADMM COc1ccc(S[C@@H](C)C(=O)Nc2c([O-])cccc2F)cc1 ZINC000605435034 1039682167 /nfs/dbraw/zinc/68/21/67/1039682167.db2.gz FKRXZSMREAIWKC-JTQLQIEISA-N -1 1 321.373 3.659 20 0 DHADMM O=C(CCSc1ccccc1F)Nc1c([O-])cccc1F ZINC000605440421 1039684443 /nfs/dbraw/zinc/68/44/43/1039684443.db2.gz RIUPIIJOGFMZLG-UHFFFAOYSA-N -1 1 309.337 3.791 20 0 DHADMM Cc1cc2c(o1)CC(C)(C)C[C@H]2[N-]C(=O)C(F)(F)C(F)F ZINC000226610449 1039729515 /nfs/dbraw/zinc/72/95/15/1039729515.db2.gz SLVZOYKAMBWDEQ-SECBINFHSA-N -1 1 307.287 3.618 20 0 DHADMM Cc1ccccc1[C@@]1(F)CCN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000669743426 1040001548 /nfs/dbraw/zinc/00/15/48/1040001548.db2.gz WFLLJFGICLGSQZ-GOSISDBHSA-N -1 1 317.335 3.551 20 0 DHADMM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000606907137 1040030637 /nfs/dbraw/zinc/03/06/37/1040030637.db2.gz AAHQKGSPFDWEGC-ZETCQYMHSA-N -1 1 316.275 3.625 20 0 DHADMM Cc1ccsc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000607611375 1040205436 /nfs/dbraw/zinc/20/54/36/1040205436.db2.gz XRVLRBYEAVBGBN-UHFFFAOYSA-N -1 1 305.783 3.650 20 0 DHADMM Cc1c(Br)cccc1C(=O)Nc1c([O-])cccc1F ZINC000608365745 1040471317 /nfs/dbraw/zinc/47/13/17/1040471317.db2.gz IUNMJYLMWHBWGP-UHFFFAOYSA-N -1 1 324.149 3.855 20 0 DHADMM COc1ccccc1C[C@H](C)CC(=O)Nc1c([O-])cccc1F ZINC000608365368 1040473529 /nfs/dbraw/zinc/47/35/29/1040473529.db2.gz DSOQIBMPIHMURG-LBPRGKRZSA-N -1 1 317.360 3.747 20 0 DHADMM O=C(CCCCC(=O)c1ccccc1)Nc1c([O-])cccc1F ZINC000608366902 1040474093 /nfs/dbraw/zinc/47/40/93/1040474093.db2.gz QAIGNDYGZRXCTC-UHFFFAOYSA-N -1 1 315.344 3.913 20 0 DHADMM O=C(Cc1ccccc1C(F)(F)F)Nc1c([O-])cccc1F ZINC000608366870 1040475103 /nfs/dbraw/zinc/47/51/03/1040475103.db2.gz AIMWKBCRMSZENS-UHFFFAOYSA-N -1 1 313.250 3.731 20 0 DHADMM CCSCCCc1noc(-c2cc(SC)ccc2[O-])n1 ZINC000596592436 1040506538 /nfs/dbraw/zinc/50/65/38/1040506538.db2.gz FWWYCZDAWDHZKT-UHFFFAOYSA-N -1 1 310.444 3.850 20 0 DHADMM CCOc1ccc(C(=O)Nc2c([O-])cccc2F)cc1OCC ZINC000078807054 185112846 /nfs/dbraw/zinc/11/28/46/185112846.db2.gz DDCMKVPMNJIVLO-UHFFFAOYSA-N -1 1 319.332 3.581 20 0 DHADMM CCc1cc(=O)[n-]c(SCc2cccc(C(F)(F)F)c2)n1 ZINC000005155032 181211244 /nfs/dbraw/zinc/21/12/44/181211244.db2.gz GBYHMEMWDSNZLC-UHFFFAOYSA-N -1 1 314.332 3.643 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000005262295 181223380 /nfs/dbraw/zinc/22/33/80/181223380.db2.gz UVLSNWRLMWEDPO-UHFFFAOYSA-N -1 1 313.781 3.842 20 0 DHADMM CSc1ccc(CN[C@H](CC(=O)[O-])c2ccc(C)o2)s1 ZINC000417577975 334995948 /nfs/dbraw/zinc/99/59/48/334995948.db2.gz XRTNGXBYBRSESS-LLVKDONJSA-N -1 1 311.428 3.677 20 0 DHADMM Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(F)c2Cl)c1 ZINC000563771599 335001015 /nfs/dbraw/zinc/00/10/15/335001015.db2.gz XAHAUFKJQVUNDH-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM Cc1ccc2nc(SCc3ccc(C(=O)[O-])s3)[nH]c2c1 ZINC000020395589 182214395 /nfs/dbraw/zinc/21/43/95/182214395.db2.gz DAMYJBOYXYCJJG-UHFFFAOYSA-N -1 1 304.396 3.923 20 0 DHADMM CC(=O)Nc1ccc([O-])c(-c2nc([C@H]3CCC[C@H](C)C3)no2)c1 ZINC000273987317 130195539 /nfs/dbraw/zinc/19/55/39/130195539.db2.gz SHMSVFOPWGAOQS-JQWIXIFHSA-N -1 1 315.373 3.694 20 0 DHADMM Cc1ccc(CNCc2ccc(C(=O)[O-])c(C3CC3)n2)cc1C ZINC000417703617 335066262 /nfs/dbraw/zinc/06/62/62/335066262.db2.gz LREZZWBAKWCPRQ-UHFFFAOYSA-N -1 1 310.397 3.564 20 0 DHADMM COc1cccc([C@@H](C)c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445479021 331465577 /nfs/dbraw/zinc/46/55/77/331465577.db2.gz UOZCCJNEULSDAW-SNVBAGLBSA-N -1 1 314.316 3.742 20 0 DHADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@@H]2CCC[C@@H]21 ZINC000087777678 331795872 /nfs/dbraw/zinc/79/58/72/331795872.db2.gz WTZYQWDRGSTSRE-GWCFXTLKSA-N -1 1 324.218 3.559 20 0 DHADMM C[C@@H](Oc1ccccc1)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445483867 332122759 /nfs/dbraw/zinc/12/27/59/332122759.db2.gz XDDFYLPRROCURO-SNVBAGLBSA-N -1 1 300.289 3.721 20 0 DHADMM CCc1ccc([C@H]2CCCN2Cc2cc(C(=O)[O-])oc2C)o1 ZINC000569583611 332146776 /nfs/dbraw/zinc/14/67/76/332146776.db2.gz VBRLJZJIUBQQQS-CQSZACIVSA-N -1 1 303.358 3.779 20 0 DHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2ccc(Cl)cc2C)o1 ZINC000426785994 332153281 /nfs/dbraw/zinc/15/32/81/332153281.db2.gz RWKJYMDOQTWNOH-CQSZACIVSA-N -1 1 307.777 3.855 20 0 DHADMM Cc1ccc(F)cc1CN[C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000426811476 332156810 /nfs/dbraw/zinc/15/68/10/332156810.db2.gz UEXJIFUNOSBTJN-INIZCTEOSA-N -1 1 323.314 3.718 20 0 DHADMM C[C@@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C[C@H]1C(=O)[O-] ZINC000577750375 332306776 /nfs/dbraw/zinc/30/67/76/332306776.db2.gz ASOIZPYRZNYDFT-MWLCHTKSSA-N -1 1 302.201 3.536 20 0 DHADMM Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2ncccc2[O-])cc1 ZINC000427465860 332432210 /nfs/dbraw/zinc/43/22/10/332432210.db2.gz JLMOHHIZMAEZTA-KSSFIOAISA-N -1 1 310.397 3.709 20 0 DHADMM O=C(NCc1nc(C2CC2)cs1)c1cc2ccccc2cc1[O-] ZINC000151017996 332479841 /nfs/dbraw/zinc/47/98/41/332479841.db2.gz GVUCTTPRILJNBP-UHFFFAOYSA-N -1 1 324.405 3.809 20 0 DHADMM CCN(Cc1ccccn1)C(=O)c1ccc2ccccc2c1[O-] ZINC000177655609 332994901 /nfs/dbraw/zinc/99/49/01/332994901.db2.gz JADUBWDRCPRZIR-UHFFFAOYSA-N -1 1 306.365 3.603 20 0 DHADMM COc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180358743 333027946 /nfs/dbraw/zinc/02/79/46/333027946.db2.gz SYRICCSACFHKGG-UHFFFAOYSA-N -1 1 311.259 3.672 20 0 DHADMM C[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000180457007 333027963 /nfs/dbraw/zinc/02/79/63/333027963.db2.gz YJEONBRQEVPQNF-JTQLQIEISA-N -1 1 301.308 3.673 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@@H]1C1CCC1 ZINC000180504616 333028055 /nfs/dbraw/zinc/02/80/55/333028055.db2.gz WRPZRLYEBBXXDP-CYBMUJFWSA-N -1 1 313.319 3.816 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H]1c1cccc(F)c1 ZINC000181162750 333029285 /nfs/dbraw/zinc/02/92/85/333029285.db2.gz LHAULOZUUAUULV-MRXNPFEDSA-N -1 1 303.308 3.648 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CCC[C@H]1CCc1ccccc1 ZINC000181162595 333029445 /nfs/dbraw/zinc/02/94/45/333029445.db2.gz GHJOHXRRQYRDIR-HNNXBMFYSA-N -1 1 313.372 3.769 20 0 DHADMM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1ccc([O-])cc1F ZINC000181227706 333029791 /nfs/dbraw/zinc/02/97/91/333029791.db2.gz NDMBMKJRIHYVDN-NSHDSACASA-N -1 1 321.779 3.888 20 0 DHADMM C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000182032126 333036513 /nfs/dbraw/zinc/03/65/13/333036513.db2.gz HZNOKGIGGUQSAZ-AOOOYVTPSA-N -1 1 301.308 3.814 20 0 DHADMM O=C(NCc1ccc(Cl)cn1)c1cc2ccccc2cc1[O-] ZINC000182126249 333037122 /nfs/dbraw/zinc/03/71/22/333037122.db2.gz UTPDHUOMFLHROQ-UHFFFAOYSA-N -1 1 312.756 3.524 20 0 DHADMM C[C@H](c1ncc(-c2ccccc2)o1)N1CCC(CC(=O)[O-])CC1 ZINC000580319559 333146873 /nfs/dbraw/zinc/14/68/73/333146873.db2.gz PNDOMQCZDRLHAB-CYBMUJFWSA-N -1 1 314.385 3.589 20 0 DHADMM CCc1nc(SCCOc2cccc(Cl)c2)[n-]c(=O)c1C ZINC000563438945 333605756 /nfs/dbraw/zinc/60/57/56/333605756.db2.gz JZGOKLXXIURCFI-UHFFFAOYSA-N -1 1 324.833 3.878 20 0 DHADMM C[C@H](c1ccccc1Cl)N(C(=O)c1cncc([O-])c1)C1CC1 ZINC000339813618 333621174 /nfs/dbraw/zinc/62/11/74/333621174.db2.gz JNXRERQEEYSGAM-LLVKDONJSA-N -1 1 316.788 3.806 20 0 DHADMM Cc1c(F)c(F)ccc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC000414410535 333965653 /nfs/dbraw/zinc/96/56/53/333965653.db2.gz OEEQBXNUIUHNFQ-UHFFFAOYSA-N -1 1 323.364 3.951 20 0 DHADMM O=C(Nc1ccc(OC(F)F)cc1F)c1ccc([O-])cc1F ZINC000436662087 333986471 /nfs/dbraw/zinc/98/64/71/333986471.db2.gz FDRBXKFJQUDNAJ-UHFFFAOYSA-N -1 1 315.222 3.524 20 0 DHADMM O=C(N[C@H]1CCc2sc(Cl)cc21)c1ccc([O-])cc1F ZINC000436928907 334017418 /nfs/dbraw/zinc/01/74/18/334017418.db2.gz SIAMKLRMOBMEJI-NSHDSACASA-N -1 1 311.765 3.664 20 0 DHADMM CC(=O)c1cc(F)c([N-]C(=O)c2occ3c2CCC3)c(F)c1F ZINC000343545374 335170963 /nfs/dbraw/zinc/17/09/63/335170963.db2.gz YNNZLYYMNHUMOP-UHFFFAOYSA-N -1 1 323.270 3.641 20 0 DHADMM CC(C)c1noc([N-][C@H](C)c2nc(C(F)(F)F)cs2)n1 ZINC000278885688 334103087 /nfs/dbraw/zinc/10/30/87/334103087.db2.gz WTEMFQKGDDVGRW-ZCFIWIBFSA-N -1 1 306.313 3.841 20 0 DHADMM O=C(NC1(Cc2cccc(F)c2)CCC1)c1ccc([O-])cc1F ZINC000187550063 334265040 /nfs/dbraw/zinc/26/50/40/334265040.db2.gz UAFYRWHSGGILQL-UHFFFAOYSA-N -1 1 317.335 3.566 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2C)cc1Cl ZINC000048653052 334290974 /nfs/dbraw/zinc/29/09/74/334290974.db2.gz OYDDWELIIILBCE-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM Cc1ccc(C(=O)CCC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000111667755 334352872 /nfs/dbraw/zinc/35/28/72/334352872.db2.gz WNPIKQGJOZCIEC-UHFFFAOYSA-N -1 1 317.772 3.956 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CC[C@@H](c2ccccc2)C1 ZINC000050273063 334378354 /nfs/dbraw/zinc/37/83/54/334378354.db2.gz BFWDFGTWNPHNCH-CYBMUJFWSA-N -1 1 301.773 3.675 20 0 DHADMM O=S(=O)([N-]c1cccc2ccncc21)c1ccc2c(c1)CCC2 ZINC000532037183 334382951 /nfs/dbraw/zinc/38/29/51/334382951.db2.gz CWGKFCARMKSZDO-UHFFFAOYSA-N -1 1 324.405 3.524 20 0 DHADMM COc1cccc(SC)c1[N-]C(=O)c1cc(C(C)(C)C)on1 ZINC000416122364 334652597 /nfs/dbraw/zinc/65/25/97/334652597.db2.gz NLHZUMWDFOZYIO-UHFFFAOYSA-N -1 1 320.414 3.955 20 0 DHADMM COc1cccc(SC)c1[N-]C(=O)c1cc(C2CC2)on1 ZINC000416123406 334652611 /nfs/dbraw/zinc/65/26/11/334652611.db2.gz QPMFUKGKWORQOA-UHFFFAOYSA-N -1 1 304.371 3.535 20 0 DHADMM Cc1cnc(C(=O)N2[C@H](C)C[C@H](c3ccccc3)[C@@H]2C)c([O-])c1 ZINC000331136544 334838809 /nfs/dbraw/zinc/83/88/09/334838809.db2.gz IULKBDDKEQBHQK-YCPHGPKFSA-N -1 1 310.397 3.502 20 0 DHADMM COc1cc(C(=O)Nc2ccc(F)cc2F)cc(Cl)c1[O-] ZINC000344750742 335273146 /nfs/dbraw/zinc/27/31/46/335273146.db2.gz DBNQIBOBFKIFPY-UHFFFAOYSA-N -1 1 313.687 3.585 20 0 DHADMM CC[C@H](C)c1cc(C(=O)[N-]c2ccc(O)cc2SC)on1 ZINC000191195357 335635684 /nfs/dbraw/zinc/63/56/84/335635684.db2.gz ABDZYVNNMMCSLY-VIFPVBQESA-N -1 1 306.387 3.868 20 0 DHADMM CC[C@H](C)N(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000094080038 335712276 /nfs/dbraw/zinc/71/22/76/335712276.db2.gz FUMZKPVUUCZZID-NSHDSACASA-N -1 1 322.405 3.610 20 0 DHADMM Cc1cccc(OC(F)F)c1NC(=O)c1cc(F)ccc1[O-] ZINC000094082748 335712388 /nfs/dbraw/zinc/71/23/88/335712388.db2.gz GEWFRBSKQRROFH-UHFFFAOYSA-N -1 1 311.259 3.693 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cncc4ccccc43)n2)cc1F ZINC000445483041 338496454 /nfs/dbraw/zinc/49/64/54/338496454.db2.gz UTENTRPMIGBGFM-UHFFFAOYSA-N -1 1 307.284 3.797 20 0 DHADMM COc1cccc(/C=C/c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445485565 338496755 /nfs/dbraw/zinc/49/67/55/338496755.db2.gz AGNZEDJQGVRJDF-VMPITWQZSA-N -1 1 312.300 3.760 20 0 DHADMM Cn1cc(CCC(=O)Nc2ccc(F)cc2[O-])c2ccccc21 ZINC000532266457 335927495 /nfs/dbraw/zinc/92/74/95/335927495.db2.gz DDLQVGDOCYDAHO-UHFFFAOYSA-N -1 1 312.344 3.594 20 0 DHADMM O=C([N-]c1c(F)cccc1F)c1csc(C(F)(F)F)n1 ZINC000351736956 336063689 /nfs/dbraw/zinc/06/36/89/336063689.db2.gz HSURUBRDLMIAFC-UHFFFAOYSA-N -1 1 308.231 3.692 20 0 DHADMM CCc1ccc([C@H]2CCCCN2C(=O)c2ncc(C)cc2[O-])o1 ZINC000331978893 336154975 /nfs/dbraw/zinc/15/49/75/336154975.db2.gz XPDNYGOCAOROOU-CQSZACIVSA-N -1 1 314.385 3.618 20 0 DHADMM O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1c[nH]c2ccccc2c1=O ZINC000332794399 336185066 /nfs/dbraw/zinc/18/50/66/336185066.db2.gz HNTXWHWRJZDIRD-RBSFLKMASA-N -1 1 324.424 3.617 20 0 DHADMM Cc1cnc(-c2nc(=O)c3c4c(sc3[n-]2)SCCC4)s1 ZINC000333146156 336198569 /nfs/dbraw/zinc/19/85/69/336198569.db2.gz KDZMPRPAFQLUIH-UHFFFAOYSA-N -1 1 321.452 3.867 20 0 DHADMM O=C(c1ncccc1[O-])N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000333976962 336214880 /nfs/dbraw/zinc/21/48/80/336214880.db2.gz YSFGLJHXHZFALJ-QGZVFWFLSA-N -1 1 308.381 3.545 20 0 DHADMM Cc1nc(-c2ccc(N[C@@H]3CCCC[C@H]3C)nc2)[n-]c(=O)c1C ZINC000301181689 336293710 /nfs/dbraw/zinc/29/37/10/336293710.db2.gz PJSOADXLQNYABU-IAQYHMDHSA-N -1 1 312.417 3.852 20 0 DHADMM Cc1nc(-c2ccc(N[C@@H]3CCCC3(C)C)nc2)[n-]c(=O)c1C ZINC000301530560 336312810 /nfs/dbraw/zinc/31/28/10/336312810.db2.gz HMIGILLTCJCWJP-CQSZACIVSA-N -1 1 312.417 3.852 20 0 DHADMM Cc1nc(-c2ccc(NCC3(C(C)C)CC3)nc2)[n-]c(=O)c1C ZINC000301588342 336316700 /nfs/dbraw/zinc/31/67/00/336316700.db2.gz WQYRIUNLMQLVQR-UHFFFAOYSA-N -1 1 312.417 3.709 20 0 DHADMM CC[C@H](C)[C@@H](C)Nc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000301760503 336328233 /nfs/dbraw/zinc/32/82/33/336328233.db2.gz MARVGCCAYQCYFI-CMPLNLGQSA-N -1 1 300.406 3.708 20 0 DHADMM Clc1ccc(-n2cc([N-]c3nc(C4CC4)ns3)cn2)cc1 ZINC000302456075 336359066 /nfs/dbraw/zinc/35/90/66/336359066.db2.gz ULMPDJRKQQPGLL-UHFFFAOYSA-N -1 1 317.805 3.998 20 0 DHADMM Cc1cc([C@H]2CCN(C(=O)c3c(F)ccc([O-])c3F)C2)cs1 ZINC000367686263 336828036 /nfs/dbraw/zinc/82/80/36/336828036.db2.gz NUONXYBVDKDQHZ-JTQLQIEISA-N -1 1 323.364 3.670 20 0 DHADMM COc1cc(C)ccc1-c1noc(-c2cc(F)ccc2[O-])n1 ZINC000389724061 336887677 /nfs/dbraw/zinc/88/76/77/336887677.db2.gz IGOSCXSRHAYWLA-UHFFFAOYSA-N -1 1 300.289 3.565 20 0 DHADMM Cc1cnc([C@H]2CCCCN2C(=O)c2cc(F)ccc2[O-])s1 ZINC000373165057 336950296 /nfs/dbraw/zinc/95/02/96/336950296.db2.gz GASQUKLOOPXBGN-CYBMUJFWSA-N -1 1 320.389 3.664 20 0 DHADMM CCCC[C@@H](C)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000374358023 336988108 /nfs/dbraw/zinc/98/81/08/336988108.db2.gz AAPCCYFZSMSDQZ-CQSZACIVSA-N -1 1 317.429 3.640 20 0 DHADMM C[C@@H]1CC2(CCC2)CN1C(=O)c1cc(Br)ccc1[O-] ZINC000377197194 337048580 /nfs/dbraw/zinc/04/85/80/337048580.db2.gz LEISWPJSFHICJE-SNVBAGLBSA-N -1 1 324.218 3.559 20 0 DHADMM [O-]c1ccc(-c2noc([C@@H]3OC[C@@H]4CCC[C@H]43)n2)c(Cl)c1 ZINC000377781181 337060905 /nfs/dbraw/zinc/06/09/05/337060905.db2.gz MPUCHGIJUMTBNY-IYYTYJHQSA-N -1 1 306.749 3.583 20 0 DHADMM COC(=O)c1c[n-]c(S[C@@H]2CCc3c2cccc3Cl)n1 ZINC000193543732 337077897 /nfs/dbraw/zinc/07/78/97/337077897.db2.gz XGHSRCAHHJLHSX-GFCCVEGCSA-N -1 1 308.790 3.629 20 0 DHADMM CC[C@@H](Sc1nc(C(=O)OC)c[n-]1)c1ccc(F)cc1F ZINC000193538777 337077903 /nfs/dbraw/zinc/07/79/03/337077903.db2.gz UFZJBWSEEWXZJP-GFCCVEGCSA-N -1 1 312.341 3.718 20 0 DHADMM CC(C)(C(=O)Nc1nc(-c2cc3ccccc3o2)n[nH]1)C1CC1 ZINC000582505836 337099313 /nfs/dbraw/zinc/09/93/13/337099313.db2.gz QHURMKHBZQIIKI-UHFFFAOYSA-N -1 1 310.357 3.593 20 0 DHADMM COCc1ccc([C@H]2CCCN2Cc2ccc(C(=O)[O-])s2)o1 ZINC000582551979 337104354 /nfs/dbraw/zinc/10/43/54/337104354.db2.gz TUXOUPSZLDFVPN-CYBMUJFWSA-N -1 1 321.398 3.523 20 0 DHADMM [O-]c1ccc(-c2noc(-c3coc(C4CCCC4)n3)n2)cc1F ZINC000582692037 337123191 /nfs/dbraw/zinc/12/31/91/337123191.db2.gz JHQZBABNMWYRCY-UHFFFAOYSA-N -1 1 315.304 3.894 20 0 DHADMM COc1ccc(CN(C)C(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000023603213 337198450 /nfs/dbraw/zinc/19/84/50/337198450.db2.gz LENRANAYGVCPRO-UHFFFAOYSA-N -1 1 321.376 3.826 20 0 DHADMM Cc1cccc(CN(C)C(=O)c2ccc3ccccc3c2[O-])n1 ZINC000321150287 337201329 /nfs/dbraw/zinc/20/13/29/337201329.db2.gz GNISXRKHWPSNIL-UHFFFAOYSA-N -1 1 306.365 3.521 20 0 DHADMM Oc1cc(F)cc(C[NH2+][C@H](c2ccccc2)c2ccncc2)c1 ZINC000185492632 337205868 /nfs/dbraw/zinc/20/58/68/337205868.db2.gz FGUTYNOPBHNVRR-LJQANCHMSA-N -1 1 308.356 3.806 20 0 DHADMM Oc1cccc(CN(Cc2cc(O)cc(F)c2)CC2CC2)c1 ZINC000186201146 337254693 /nfs/dbraw/zinc/25/46/93/337254693.db2.gz GPQMBVKKLZMFRR-UHFFFAOYSA-N -1 1 301.361 3.649 20 0 DHADMM Cc1csc([C@H]2CCCN(Cc3cc(O)cc(F)c3)C2)n1 ZINC000186205725 337254730 /nfs/dbraw/zinc/25/47/30/337254730.db2.gz ZZVHRYLLFZNNMR-ZDUSSCGKSA-N -1 1 306.406 3.676 20 0 DHADMM CCOc1cc(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc(Cl)c1[O-] ZINC000186780573 337259509 /nfs/dbraw/zinc/25/95/09/337259509.db2.gz GANFNLALCZJRSG-QWRGUYRKSA-N -1 1 311.809 3.847 20 0 DHADMM CCOc1cc(C(=O)N2C[C@H]3CCCC[C@@H]3C2)cc(Cl)c1[O-] ZINC000186852868 337260709 /nfs/dbraw/zinc/26/07/09/337260709.db2.gz NLQBCYNXSUDGIS-VXGBXAGGSA-N -1 1 323.820 3.707 20 0 DHADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1c(Cl)cccc1Cl ZINC000397479925 337265005 /nfs/dbraw/zinc/26/50/05/337265005.db2.gz DEGXXEGZQMRBAZ-ZJUUUORDSA-N -1 1 302.201 3.679 20 0 DHADMM C[C@H](C(=O)[O-])[C@@H](NCc1cccc(F)c1F)c1ccccc1 ZINC000583239529 337284052 /nfs/dbraw/zinc/28/40/52/337284052.db2.gz BOQQNTODZZAOQB-MEDUHNTESA-N -1 1 305.324 3.516 20 0 DHADMM O=C(Nc1ccc2c(c1)COC2)Nc1ccc([O-])c(Cl)c1 ZINC000190983282 337292045 /nfs/dbraw/zinc/29/20/45/337292045.db2.gz FPGOPKTZGQPHOL-UHFFFAOYSA-N -1 1 304.733 3.720 20 0 DHADMM O=C(c1cncc([O-])c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000307448042 337387627 /nfs/dbraw/zinc/38/76/27/337387627.db2.gz KZBVKVOLZYFCEV-UHFFFAOYSA-N -1 1 318.376 3.630 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H](CC(F)(F)F)C1 ZINC000421941419 337661266 /nfs/dbraw/zinc/66/12/66/337661266.db2.gz NMJNTRYRFXMOOT-SECBINFHSA-N -1 1 321.726 3.850 20 0 DHADMM Cc1cccc([C@H]2CCCN2C(=O)c2ccc(Cl)cc2[O-])n1 ZINC000092759319 337908062 /nfs/dbraw/zinc/90/80/62/337908062.db2.gz RHXRKXCEQVCVNI-OAHLLOKOSA-N -1 1 316.788 3.726 20 0 DHADMM Cc1ccc(C)c(OCCCSc2ncc(C)c(=O)[n-]2)c1 ZINC000514872548 337973823 /nfs/dbraw/zinc/97/38/23/337973823.db2.gz FCJJLCTUTDVBRD-UHFFFAOYSA-N -1 1 304.415 3.669 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H]1c1ccsc1 ZINC000516301469 338010087 /nfs/dbraw/zinc/01/00/87/338010087.db2.gz SBZKQBBLYHYIFX-CYBMUJFWSA-N -1 1 305.399 3.939 20 0 DHADMM CSc1cc(-c2nc(-c3ccc([O-])cc3Cl)no2)ccn1 ZINC000445452611 338016719 /nfs/dbraw/zinc/01/67/19/338016719.db2.gz DYNQEBMGPGHCFZ-UHFFFAOYSA-N -1 1 319.773 3.880 20 0 DHADMM Cc1ccc(CCc2nc(-c3ccc([O-])cc3Cl)no2)o1 ZINC000445452963 338016831 /nfs/dbraw/zinc/01/68/31/338016831.db2.gz UJNWGQOTUOFNAG-UHFFFAOYSA-N -1 1 304.733 3.782 20 0 DHADMM CCC(CC)n1ccc(-c2nc(-c3ccc([O-])cc3F)no2)n1 ZINC000445453637 338017016 /nfs/dbraw/zinc/01/70/16/338017016.db2.gz BYKMYLPJJCHHEZ-UHFFFAOYSA-N -1 1 316.336 3.806 20 0 DHADMM C[C@@H](c1nc(-c2ccc([O-])cc2F)no1)c1ccccc1F ZINC000445455191 338017327 /nfs/dbraw/zinc/01/73/27/338017327.db2.gz OFLYEGVKRXUYIE-SECBINFHSA-N -1 1 302.280 3.872 20 0 DHADMM CC[C@H](C)n1nc(-c2nc(-c3ccc([O-])cc3F)no2)cc1C ZINC000445459832 338018706 /nfs/dbraw/zinc/01/87/06/338018706.db2.gz ICKYELFTQLEJLL-VIFPVBQESA-N -1 1 316.336 3.724 20 0 DHADMM CC(C)(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000425956241 338019305 /nfs/dbraw/zinc/01/93/05/338019305.db2.gz WBSSDKLSCWTSKG-UHFFFAOYSA-N -1 1 317.410 3.716 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cc(F)c(F)c(F)c3)n2)c(F)c1 ZINC000445460279 338019413 /nfs/dbraw/zinc/01/94/13/338019413.db2.gz PNNSRVVIJLQKON-UHFFFAOYSA-N -1 1 310.206 3.666 20 0 DHADMM CCc1nc(CNCc2ccc(C(C)C)cc2)ccc1C(=O)[O-] ZINC000426650866 338037065 /nfs/dbraw/zinc/03/70/65/338037065.db2.gz HLOSZCQYGZJJPB-UHFFFAOYSA-N -1 1 312.413 3.755 20 0 DHADMM Cc1nc(CNCc2csc3ccccc23)ccc1C(=O)[O-] ZINC000426662743 338037388 /nfs/dbraw/zinc/03/73/88/338037388.db2.gz YAXRSKSDKWLUON-UHFFFAOYSA-N -1 1 312.394 3.593 20 0 DHADMM O=C([O-])[C@@H](NCc1cccc(Cl)c1F)c1ccc(F)cc1 ZINC000426763539 338041302 /nfs/dbraw/zinc/04/13/02/338041302.db2.gz CFPWIHGHVPOQOZ-AWEZNQCLSA-N -1 1 311.715 3.534 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)C(=O)c1ccc(Cl)s1 ZINC000430305406 338104770 /nfs/dbraw/zinc/10/47/70/338104770.db2.gz XEVWGVVDXFLCKZ-UHFFFAOYSA-N -1 1 316.165 3.582 20 0 DHADMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)s1 ZINC000431174603 338124921 /nfs/dbraw/zinc/12/49/21/338124921.db2.gz FDKHUUOPOFZERL-UHFFFAOYSA-N -1 1 319.810 3.958 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(-c2cc[nH]n2)s1 ZINC000431904556 338141472 /nfs/dbraw/zinc/14/14/72/338141472.db2.gz RSWJKHRSOAIKMH-UHFFFAOYSA-N -1 1 319.773 3.750 20 0 DHADMM COc1cc(C)c(S(=O)(=O)[N-]c2ccsc2)cc1Cl ZINC000432767551 338166913 /nfs/dbraw/zinc/16/69/13/338166913.db2.gz KPXLADHGLYYVEE-UHFFFAOYSA-N -1 1 317.819 3.519 20 0 DHADMM CCc1ccc([N-]S(=O)(=O)c2ccccc2SC)cc1 ZINC000436030109 338256254 /nfs/dbraw/zinc/25/62/54/338256254.db2.gz ZIBLXGXCMSFELL-UHFFFAOYSA-N -1 1 307.440 3.772 20 0 DHADMM CCc1cc(=O)[n-]c(SCc2cc(OC)ccc2Cl)n1 ZINC000436207999 338261982 /nfs/dbraw/zinc/26/19/82/338261982.db2.gz UGRBUFUMAAYPAH-UHFFFAOYSA-N -1 1 310.806 3.699 20 0 DHADMM O=c1cc(C2CC2)nc(SCc2cccc(OC(F)F)c2)[n-]1 ZINC000436249967 338263512 /nfs/dbraw/zinc/26/35/12/338263512.db2.gz FKFXBOFDAAZTMT-UHFFFAOYSA-N -1 1 324.352 3.953 20 0 DHADMM CCc1ccc(C(=O)CSc2nc(C3CC3)cc(=O)[n-]2)cc1 ZINC000436248774 338263574 /nfs/dbraw/zinc/26/35/74/338263574.db2.gz BRCAEYPRYMUUOS-UHFFFAOYSA-N -1 1 314.410 3.597 20 0 DHADMM C=Cc1ccc(S(=O)(=O)[N-]c2ccc(SC)cc2)cc1 ZINC000436479704 338273747 /nfs/dbraw/zinc/27/37/47/338273747.db2.gz SHLBGPKVCLPOGF-UHFFFAOYSA-N -1 1 305.424 3.852 20 0 DHADMM CCS[C@H]1CCCCN(C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000436546419 338275388 /nfs/dbraw/zinc/27/53/88/338275388.db2.gz OMWOXVJXALLUTD-LBPRGKRZSA-N -1 1 313.850 3.793 20 0 DHADMM CC(C)n1ncc2ccc(NC(=O)c3cc(F)ccc3[O-])cc21 ZINC000436534606 338275811 /nfs/dbraw/zinc/27/58/11/338275811.db2.gz KZSXAEKICCETCM-UHFFFAOYSA-N -1 1 313.332 3.714 20 0 DHADMM CC(C)(C)n1cc(NC(=O)c2cc3ccccc3cc2[O-])cn1 ZINC000436536300 338275927 /nfs/dbraw/zinc/27/59/27/338275927.db2.gz AVOKLIDUZVUONY-UHFFFAOYSA-N -1 1 309.369 3.749 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000436537815 338275991 /nfs/dbraw/zinc/27/59/91/338275991.db2.gz GAJQYODDDFQZML-KCXRBIIJSA-N -1 1 305.805 3.696 20 0 DHADMM CC(C)c1ccc(C(=O)N2CCc3c2cc(F)cc3F)c([O-])c1 ZINC000436554054 338276852 /nfs/dbraw/zinc/27/68/52/338276852.db2.gz GLXQEIRZSRXQON-UHFFFAOYSA-N -1 1 317.335 3.997 20 0 DHADMM CC(C)Nc1cc(F)ccc1NC(=O)c1cc(F)ccc1[O-] ZINC000436561668 338277106 /nfs/dbraw/zinc/27/71/06/338277106.db2.gz HDKZCUHTOFDQKI-UHFFFAOYSA-N -1 1 306.312 3.743 20 0 DHADMM COc1cccc(F)c1[C@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000436568583 338277381 /nfs/dbraw/zinc/27/73/81/338277381.db2.gz YLPIMHPALHWJJF-VIFPVBQESA-N -1 1 323.751 3.684 20 0 DHADMM COc1cccc(F)c1[C@@H](C)NC(=O)c1ccc(Cl)cc1[O-] ZINC000436568581 338277454 /nfs/dbraw/zinc/27/74/54/338277454.db2.gz YLPIMHPALHWJJF-SECBINFHSA-N -1 1 323.751 3.684 20 0 DHADMM CC(C)[C@@H](CNC(=O)c1cc(Cl)ccc1[O-])c1cccnc1 ZINC000436574547 338277884 /nfs/dbraw/zinc/27/78/84/338277884.db2.gz GICZXMYSJRKMAC-OAHLLOKOSA-N -1 1 318.804 3.610 20 0 DHADMM O=C(NC[C@H]1CCCC[C@H]1C(F)(F)F)c1cc(F)ccc1[O-] ZINC000436577666 338278008 /nfs/dbraw/zinc/27/80/08/338278008.db2.gz OWDPJEUMZPEREX-BXKDBHETSA-N -1 1 319.298 3.630 20 0 DHADMM Cc1c(NC(=O)c2ccccc2[O-])cnn1-c1cc(C)ccc1C ZINC000436604007 338279415 /nfs/dbraw/zinc/27/94/15/338279415.db2.gz NLKFZCVAFPHOMP-UHFFFAOYSA-N -1 1 321.380 3.755 20 0 DHADMM COc1ccc(O)c(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436601599 338279497 /nfs/dbraw/zinc/27/94/97/338279497.db2.gz IHIAOIZHLAHWSG-UHFFFAOYSA-N -1 1 309.321 3.512 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCc2ccc(F)cc2C1 ZINC000436604171 338279535 /nfs/dbraw/zinc/27/95/35/338279535.db2.gz NAFVFMLIEOUHRU-UHFFFAOYSA-N -1 1 321.351 3.883 20 0 DHADMM O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1c([O-])cccc1F ZINC000436615141 338280085 /nfs/dbraw/zinc/28/00/85/338280085.db2.gz CGJATYXSFCRBRY-VHSXEESVSA-N -1 1 319.298 3.630 20 0 DHADMM COc1cc(O)cc(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436633547 338280786 /nfs/dbraw/zinc/28/07/86/338280786.db2.gz ICCUPVMDHBTUIK-UHFFFAOYSA-N -1 1 309.321 3.512 20 0 DHADMM C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)C(=O)c2ccc([O-])cc2)C1 ZINC000436656404 338281941 /nfs/dbraw/zinc/28/19/41/338281941.db2.gz IPAISFKTHWLLKU-RDTXWAMCSA-N -1 1 323.392 3.575 20 0 DHADMM CC1(C)CC[C@@H](NC(=O)C(=O)c2ccc([O-])cc2)c2ccccc21 ZINC000436685568 338282890 /nfs/dbraw/zinc/28/28/90/338282890.db2.gz COEAYUDYNRGLIL-QGZVFWFLSA-N -1 1 323.392 3.504 20 0 DHADMM Cc1cccc([C@@H]2CCCN2C(=O)C(=O)c2ccc([O-])cc2)c1C ZINC000436696915 338283127 /nfs/dbraw/zinc/28/31/27/338283127.db2.gz ILVOGFWQRZCMPD-SFHVURJKSA-N -1 1 323.392 3.555 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCc2c(F)cccc2C1 ZINC000436715012 338283912 /nfs/dbraw/zinc/28/39/12/338283912.db2.gz KJPALRJXDVKTCR-UHFFFAOYSA-N -1 1 321.351 3.883 20 0 DHADMM CC[C@H](c1ccccc1OC)N(C)C(=O)c1ccc([O-])cc1F ZINC000436736790 338284805 /nfs/dbraw/zinc/28/48/05/338284805.db2.gz HGEUZPJXGCOTFY-MRXNPFEDSA-N -1 1 317.360 3.763 20 0 DHADMM C[C@H](C1CC1)n1cc(NC(=O)c2cc3ccccc3cc2[O-])cn1 ZINC000436743384 338285022 /nfs/dbraw/zinc/28/50/22/338285022.db2.gz XXUCQPWBQSKUIC-GFCCVEGCSA-N -1 1 321.380 3.965 20 0 DHADMM COc1ccc(C(=O)Nc2ccc(CSC)cc2)c([O-])c1 ZINC000436748663 338285278 /nfs/dbraw/zinc/28/52/78/338285278.db2.gz PXUKORRGRDCYES-UHFFFAOYSA-N -1 1 303.383 3.516 20 0 DHADMM CC(C)(C)Nc1ccccc1NC(=O)c1cc(F)ccc1[O-] ZINC000436777165 338286882 /nfs/dbraw/zinc/28/68/82/338286882.db2.gz YCZMTEIXRVEYFD-UHFFFAOYSA-N -1 1 302.349 3.994 20 0 DHADMM CC(C)C[C@H](C)n1nccc1NC(=O)c1cc(F)ccc1[O-] ZINC000436790734 338287527 /nfs/dbraw/zinc/28/75/27/338287527.db2.gz HUPPSFYVUKXVJO-NSHDSACASA-N -1 1 305.353 3.587 20 0 DHADMM CCCN(CCc1cccs1)C(=O)c1cc(F)ccc1[O-] ZINC000436806402 338287889 /nfs/dbraw/zinc/28/78/89/338287889.db2.gz VIXDYLOZOADZCQ-UHFFFAOYSA-N -1 1 307.390 3.688 20 0 DHADMM CCC1(CC)CN(C(=O)c2ccc(Cl)cc2[O-])CCS1 ZINC000436802485 338287939 /nfs/dbraw/zinc/28/79/39/338287939.db2.gz CEPSVERQJSRBHM-UHFFFAOYSA-N -1 1 313.850 3.793 20 0 DHADMM CC[C@@H]1CN(C(=O)c2ccccc2[O-])c2cccc(Cl)c2O1 ZINC000436836435 338289151 /nfs/dbraw/zinc/28/91/51/338289151.db2.gz DUIDYEWGWOAFGA-LLVKDONJSA-N -1 1 317.772 3.863 20 0 DHADMM Cc1ccc(C)c(CN(C)C(=O)c2ccc(Cl)cc2[O-])c1 ZINC000436844503 338289719 /nfs/dbraw/zinc/28/97/19/338289719.db2.gz NYSCIHFDLJDGCS-UHFFFAOYSA-N -1 1 303.789 3.935 20 0 DHADMM Cc1ncsc1/C=C/c1nc(-c2ccc([O-])cc2F)no1 ZINC000436874826 338291126 /nfs/dbraw/zinc/29/11/26/338291126.db2.gz RVMNUNLYBAIUTJ-SNAWJCMRSA-N -1 1 303.318 3.517 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3ccc(Cl)c(F)c3)n2)c(F)c1 ZINC000436877214 338291220 /nfs/dbraw/zinc/29/12/20/338291220.db2.gz FECAUQZAZLTXMZ-UHFFFAOYSA-N -1 1 322.698 3.965 20 0 DHADMM [O-]c1ccc(-c2noc(C(F)(F)Cc3ccccc3)n2)cc1F ZINC000436880148 338291485 /nfs/dbraw/zinc/29/14/85/338291485.db2.gz PHKKZISBQHAWCG-UHFFFAOYSA-N -1 1 320.270 3.916 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cc4[nH]ccc4s3)n2)cc1F ZINC000436881235 338291565 /nfs/dbraw/zinc/29/15/65/338291565.db2.gz WNJOZYYXCLCXNY-UHFFFAOYSA-N -1 1 301.302 3.791 20 0 DHADMM CCOc1c(F)cccc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436880792 338291585 /nfs/dbraw/zinc/29/15/85/338291585.db2.gz SJISEJGCISPERZ-UHFFFAOYSA-N -1 1 318.279 3.786 20 0 DHADMM CC(C)(C)OC1CC(Cc2nc(-c3ccc([O-])cc3F)no2)C1 ZINC000436881777 338291654 /nfs/dbraw/zinc/29/16/54/338291654.db2.gz YHDZOKIMJMEYLQ-UHFFFAOYSA-N -1 1 320.364 3.718 20 0 DHADMM O=C(N[C@H](c1ccccc1)C1CCCC1)C(=O)c1ccc([O-])cc1 ZINC000436892090 338292188 /nfs/dbraw/zinc/29/21/88/338292188.db2.gz ZHUDMVPYJTXXTR-GOSISDBHSA-N -1 1 323.392 3.623 20 0 DHADMM CC(C)CC[C@H](NC(=O)C(=O)c1ccc([O-])cc1)C(C)(C)C ZINC000436895671 338292320 /nfs/dbraw/zinc/29/23/20/338292320.db2.gz JWDBRLNUVKVFQK-HNNXBMFYSA-N -1 1 305.418 3.542 20 0 DHADMM O=C(Nc1ccc(Oc2cccnc2)cc1)c1cc(F)ccc1[O-] ZINC000436925910 338293909 /nfs/dbraw/zinc/29/39/09/338293909.db2.gz KDPTWOXZWCIDGC-UHFFFAOYSA-N -1 1 324.311 3.971 20 0 DHADMM O=C(c1ccc(Br)cc1[O-])N(CC1CC1)C1CCC1 ZINC000436928136 338294103 /nfs/dbraw/zinc/29/41/03/338294103.db2.gz QBTQQGSJELGBSJ-UHFFFAOYSA-N -1 1 324.218 3.559 20 0 DHADMM O=C(NCCCSc1ccc(F)cc1)c1c([O-])cccc1F ZINC000436942875 338295003 /nfs/dbraw/zinc/29/50/03/338295003.db2.gz JUHDROZITZTZKX-UHFFFAOYSA-N -1 1 323.364 3.583 20 0 DHADMM CN(Cc1ccc(F)c(Cl)c1)C(=O)c1ccc([O-])cc1F ZINC000436948153 338295263 /nfs/dbraw/zinc/29/52/63/338295263.db2.gz IINXUWZMZCFLCK-UHFFFAOYSA-N -1 1 311.715 3.596 20 0 DHADMM Cc1c(NC(=O)c2cc3ccccc3cc2[O-])cnn1CC(C)C ZINC000436958907 338295848 /nfs/dbraw/zinc/29/58/48/338295848.db2.gz ASFZPPFKDZDDOS-UHFFFAOYSA-N -1 1 323.396 3.959 20 0 DHADMM CCOc1cc(-c2noc(C[C@H]3C[C@@H]3C)n2)cc(Cl)c1[O-] ZINC000436956786 338295934 /nfs/dbraw/zinc/29/59/34/338295934.db2.gz UGULUPUBQRYTCS-DTWKUNHWSA-N -1 1 308.765 3.693 20 0 DHADMM CCCc1cc(=O)[nH]c(C(=Cc2cc(F)c([O-])c(F)c2)CC)n1 ZINC000436963381 338296081 /nfs/dbraw/zinc/29/60/81/338296081.db2.gz CFXBGDNFUDAYGN-IZZDOVSWSA-N -1 1 320.339 3.657 20 0 DHADMM O=C(C(=O)N1CCC[C@H]1CCC1CCCC1)c1ccc([O-])cc1 ZINC000436967750 338296327 /nfs/dbraw/zinc/29/63/27/338296327.db2.gz YMHJSQTUNVSGKR-INIZCTEOSA-N -1 1 315.413 3.536 20 0 DHADMM C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000436991338 338296897 /nfs/dbraw/zinc/29/68/97/338296897.db2.gz SLSWXRNAPSBWLN-VWYCJHECSA-N -1 1 315.335 3.918 20 0 DHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccccc2N(C)C)c1 ZINC000437320426 338306981 /nfs/dbraw/zinc/30/69/81/338306981.db2.gz HDSQKVVDROWNRF-UHFFFAOYSA-N -1 1 318.442 3.677 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccsc2)cc1C(F)(F)F ZINC000438771008 338351891 /nfs/dbraw/zinc/35/18/91/338351891.db2.gz AEFYLROFHYPPMW-UHFFFAOYSA-N -1 1 321.345 3.876 20 0 DHADMM CC(C)(C)OC1CC(Sc2nc(C(F)F)cc(=O)[n-]2)C1 ZINC000450961546 338714571 /nfs/dbraw/zinc/71/45/71/338714571.db2.gz URGOYUGLGQKMBS-UHFFFAOYSA-N -1 1 304.362 3.558 20 0 DHADMM CC(C)N(CCc1nccs1)C(=O)c1ccc(Cl)cc1[O-] ZINC000163260240 338716053 /nfs/dbraw/zinc/71/60/53/338716053.db2.gz UVWRTICNYLOJBN-UHFFFAOYSA-N -1 1 324.833 3.595 20 0 DHADMM O=C(NC[C@@H]1CCC[C@H]1c1ccccc1)c1ccc([O-])cc1F ZINC000452410135 338765796 /nfs/dbraw/zinc/76/57/96/338765796.db2.gz REQISRYTDVLHIB-HOCLYGCPSA-N -1 1 313.372 3.845 20 0 DHADMM O=S(=O)([N-]c1cccc(C(F)F)c1)c1cccc(F)c1 ZINC000195452063 338900486 /nfs/dbraw/zinc/90/04/86/338900486.db2.gz JBRCIMQHTYSMAA-UHFFFAOYSA-N -1 1 301.289 3.564 20 0 DHADMM CC[C@@]1(C(C)C)C[C@@H]1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000457285926 338958199 /nfs/dbraw/zinc/95/81/99/338958199.db2.gz OQCPFIXAVXWUIP-BBRMVZONSA-N -1 1 311.809 3.609 20 0 DHADMM Cc1cnc(C(=O)N(C)[C@@H]2CCC[C@@H]2c2ccccc2)c([O-])c1 ZINC000458018854 338986090 /nfs/dbraw/zinc/98/60/90/338986090.db2.gz DHBRZLKOPZFHKJ-HZPDHXFCSA-N -1 1 310.397 3.504 20 0 DHADMM O=c1cc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)nc(C2CC2)[nH]1 ZINC000459283460 339019213 /nfs/dbraw/zinc/01/92/13/339019213.db2.gz FIMDMOUPFBYWOY-MRXNPFEDSA-N -1 1 313.376 3.536 20 0 DHADMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C)ccc2F)c1 ZINC000474309163 339409145 /nfs/dbraw/zinc/40/91/45/339409145.db2.gz IQADTLBXCRJGTJ-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM COc1cc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c(C)cc1C ZINC000478707348 339520976 /nfs/dbraw/zinc/52/09/76/339520976.db2.gz YRWHWBSANIWCMH-UHFFFAOYSA-N -1 1 323.389 3.560 20 0 DHADMM [O-]c1cccc(CN2CCO[C@@H](c3cccc(F)c3)C2)c1Cl ZINC000508171746 340239990 /nfs/dbraw/zinc/23/99/90/340239990.db2.gz AZWJSJMMJKAJJG-MRXNPFEDSA-N -1 1 321.779 3.758 20 0 DHADMM CSc1cccc(S(=O)(=O)[N-]c2c(C)cccc2C)c1 ZINC000509103962 340261381 /nfs/dbraw/zinc/26/13/81/340261381.db2.gz SRCFMAPIEDYKLP-UHFFFAOYSA-N -1 1 307.440 3.826 20 0 DHADMM O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)c1ccccc1[O-] ZINC000303028446 340296589 /nfs/dbraw/zinc/29/65/89/340296589.db2.gz NMWJJNQWEISROB-UHFFFAOYSA-N -1 1 322.242 3.805 20 0 DHADMM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C)ccc1F ZINC000303232892 340314546 /nfs/dbraw/zinc/31/45/46/340314546.db2.gz ZDILGGPRVZXRSE-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM COc1cc(F)ccc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000190931904 340548293 /nfs/dbraw/zinc/54/82/93/340548293.db2.gz CCYZJUUSYXIQJN-UHFFFAOYSA-N -1 1 310.712 3.837 20 0 DHADMM CCc1cc(=O)[n-]c(SCc2ccccc2C(F)(F)F)n1 ZINC000195070181 340573745 /nfs/dbraw/zinc/57/37/45/340573745.db2.gz NTPMFLMQZJRSQH-UHFFFAOYSA-N -1 1 314.332 3.643 20 0 DHADMM CC[C@H](C)C[C@@H](C)NC(=O)c1ccc(Br)c([O-])c1 ZINC000231348853 340622269 /nfs/dbraw/zinc/62/22/69/340622269.db2.gz IEKDROCTJYDYPH-VHSXEESVSA-N -1 1 314.223 3.709 20 0 DHADMM C[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)c1ccccc1 ZINC000005155102 340639922 /nfs/dbraw/zinc/63/99/22/340639922.db2.gz QMZGBNRRPGVSFB-QMMMGPOBSA-N -1 1 300.305 3.642 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(CSC)c2)cc1 ZINC000524624368 340659354 /nfs/dbraw/zinc/65/93/54/340659354.db2.gz YFVXOJYLEFMIHJ-UHFFFAOYSA-N -1 1 321.467 3.913 20 0 DHADMM C[C@H](Cc1ccsc1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000314758244 340675114 /nfs/dbraw/zinc/67/51/14/340675114.db2.gz GJSPAXALXCJCJC-GFCCVEGCSA-N -1 1 311.406 3.968 20 0 DHADMM C[C@@H](Cc1ccsc1)NC(=O)c1cc2ccccc2cc1[O-] ZINC000314758245 340675128 /nfs/dbraw/zinc/67/51/28/340675128.db2.gz GJSPAXALXCJCJC-LBPRGKRZSA-N -1 1 311.406 3.968 20 0 DHADMM C[C@@H](Cc1ccsc1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000314865013 340675461 /nfs/dbraw/zinc/67/54/61/340675461.db2.gz ZNOKNZJRCBGMCN-LBPRGKRZSA-N -1 1 311.406 3.968 20 0 DHADMM C[C@H](c1ccccc1Cl)N(C(=O)c1ncccc1[O-])C1CC1 ZINC000123363793 340751426 /nfs/dbraw/zinc/75/14/26/340751426.db2.gz ZADGUXBMMHUWAH-LLVKDONJSA-N -1 1 316.788 3.806 20 0 DHADMM O=C(NCC[C@H]1CC=CCC1)c1ccc(Br)c([O-])c1 ZINC000529868804 340772488 /nfs/dbraw/zinc/77/24/88/340772488.db2.gz PJBXLSDXIGWOCC-NSHDSACASA-N -1 1 324.218 3.631 20 0 DHADMM Cc1nc(CC(C)C)sc1C(=O)Nc1cccc(F)c1[O-] ZINC000530006580 340775945 /nfs/dbraw/zinc/77/59/45/340775945.db2.gz QTFCUWPDYZUERB-UHFFFAOYSA-N -1 1 308.378 3.747 20 0 DHADMM CC(C)Oc1ccc(NC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000538312415 340817679 /nfs/dbraw/zinc/81/76/79/340817679.db2.gz CIPUXWOQSPGBNJ-UHFFFAOYSA-N -1 1 307.296 3.710 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)C23CCC(CC2)C3)c1 ZINC000544238999 341075007 /nfs/dbraw/zinc/07/50/07/341075007.db2.gz CRBKAANORPMSEJ-UHFFFAOYSA-N -1 1 324.218 3.982 20 0 DHADMM Cc1ccc(-c2nc(=O)c3sccc3[n-]2)cc1Br ZINC000131445779 341089116 /nfs/dbraw/zinc/08/91/16/341089116.db2.gz XFMYXSLQKZSEFD-UHFFFAOYSA-N -1 1 321.199 3.723 20 0 DHADMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc2cc[nH]c21 ZINC000547496997 341217902 /nfs/dbraw/zinc/21/79/02/341217902.db2.gz LVGDAAZRMYNYBK-UHFFFAOYSA-N -1 1 324.384 3.522 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)c(C)c2)cc1 ZINC000134776826 341223861 /nfs/dbraw/zinc/22/38/61/341223861.db2.gz DHHBEDAEEXJAAM-UHFFFAOYSA-N -1 1 317.410 3.561 20 0 DHADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc2c1ccn2C ZINC000547631195 341224167 /nfs/dbraw/zinc/22/41/67/341224167.db2.gz MWZZTOVEKZFGGG-UHFFFAOYSA-N -1 1 314.410 3.542 20 0 DHADMM CCc1onc(C)c1[N-]C(=O)c1coc(C2CCCCC2)n1 ZINC000547946966 341239997 /nfs/dbraw/zinc/23/99/97/341239997.db2.gz KEPARLKPRNWBMW-UHFFFAOYSA-N -1 1 303.362 3.833 20 0 DHADMM CN(CCc1ccccc1)C(=O)c1ccc2ccccc2c1[O-] ZINC000078678840 341246169 /nfs/dbraw/zinc/24/61/69/341246169.db2.gz CBGSAQLPFLHYTF-UHFFFAOYSA-N -1 1 305.377 3.860 20 0 DHADMM COc1ccc([C@@H](C)NC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000080028350 341268647 /nfs/dbraw/zinc/26/86/47/341268647.db2.gz HYKUAYFAUNSCNP-SNVBAGLBSA-N -1 1 305.761 3.545 20 0 DHADMM O=C(CC1CC1)Nc1c([O-])cc(Br)cc1Cl ZINC000552022613 341362185 /nfs/dbraw/zinc/36/21/85/341362185.db2.gz PRXWREBLIUNAON-UHFFFAOYSA-N -1 1 304.571 3.547 20 0 DHADMM O=C([O-])c1cccc(-c2nc(CN3CCCCCC3)cs2)c1 ZINC000565544614 341530580 /nfs/dbraw/zinc/53/05/80/341530580.db2.gz VBEJMXOQKWVGOB-UHFFFAOYSA-N -1 1 316.426 3.884 20 0 DHADMM Cc1cnc(C(=O)N2CCC[C@@](C)(c3ccccc3)CC2)c([O-])c1 ZINC000575891359 341813122 /nfs/dbraw/zinc/81/31/22/341813122.db2.gz ZAFQDNBDVACUFD-HXUWFJFHSA-N -1 1 324.424 3.680 20 0 DHADMM O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1c(F)ccc([O-])c1F ZINC000576505347 341849738 /nfs/dbraw/zinc/84/97/38/341849738.db2.gz INYUMNPDGGSGQT-CMPLNLGQSA-N -1 1 323.726 3.610 20 0 DHADMM CC(C)c1nc(-c2ccccc2NC(=O)c2ccccc2[O-])n[nH]1 ZINC000154798745 519857183 /nfs/dbraw/zinc/85/71/83/519857183.db2.gz RJORTKGXAWTEHU-UHFFFAOYSA-N -1 1 322.368 3.553 20 0 DHADMM CCc1ccc(C(=O)N2C[C@H]3CCC(=O)c4cccc2c43)c([O-])c1 ZINC000189790494 523888526 /nfs/dbraw/zinc/88/85/26/523888526.db2.gz PUBBLRABTGWXSI-CYBMUJFWSA-N -1 1 321.376 3.675 20 0 DHADMM CO[C@H](C)c1nc(CSc2nc(C3CC3)cc(=O)[n-]2)cs1 ZINC000188140035 523917301 /nfs/dbraw/zinc/91/73/01/523917301.db2.gz JTVLANJWRGPCAE-MRVPVSSYSA-N -1 1 323.443 3.516 20 0 DHADMM CNC(=O)Nc1cc(NCc2cccc([O-])c2Cl)ccc1F ZINC000339390886 524079871 /nfs/dbraw/zinc/07/98/71/524079871.db2.gz KZVBJGIKUFEILO-UHFFFAOYSA-N -1 1 323.755 3.548 20 0 DHADMM C[C@H](c1ccncc1)N(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180412919 526159011 /nfs/dbraw/zinc/15/90/11/526159011.db2.gz OAZLSFDZKLEFRW-SNVBAGLBSA-N -1 1 324.302 3.639 20 0 DHADMM O=C([N-]c1nc(Cc2ccccc2)ns1)c1ccc(Cl)o1 ZINC000107198090 527507952 /nfs/dbraw/zinc/50/79/52/527507952.db2.gz LCSNYGZSJTYLEL-UHFFFAOYSA-N -1 1 319.773 3.628 20 0 DHADMM CCCCN(C(=O)c1cc(Cl)c([O-])c(OCC)c1)C1CC1 ZINC000273972701 535190024 /nfs/dbraw/zinc/19/00/24/535190024.db2.gz RVFFRUYTXMMEEX-UHFFFAOYSA-N -1 1 311.809 3.849 20 0 DHADMM CC[C@@H]1OCCC[C@@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000289063598 535932721 /nfs/dbraw/zinc/93/27/21/535932721.db2.gz LTRHLHNRVKGDAJ-AAEUAGOBSA-N -1 1 308.765 3.768 20 0 DHADMM c1csc(-c2cccc(NCc3ccc(-c4nnn[n-]4)o3)c2)c1 ZINC000823757332 607312124 /nfs/dbraw/zinc/31/21/24/607312124.db2.gz PBGJMTXQCJCKGM-UHFFFAOYSA-N -1 1 323.381 3.800 20 0 DHADMM c1csc(-c2cccc(NCc3ccc(-c4nn[n-]n4)o3)c2)c1 ZINC000823757332 607312125 /nfs/dbraw/zinc/31/21/25/607312125.db2.gz PBGJMTXQCJCKGM-UHFFFAOYSA-N -1 1 323.381 3.800 20 0 DHADMM O=C([O-])c1cccc(CN[C@H](c2ccccc2)c2cccnc2)c1 ZINC000821551532 598203343 /nfs/dbraw/zinc/20/33/43/598203343.db2.gz LENXSTSJHNFIEJ-LJQANCHMSA-N -1 1 318.376 3.659 20 0 DHADMM O=C([O-])[C@H](NCc1ccc(Cl)s1)c1cc(F)ccc1F ZINC000683174762 599788228 /nfs/dbraw/zinc/78/82/28/599788228.db2.gz QNRBUHMVGSDXNO-GFCCVEGCSA-N -1 1 317.744 3.595 20 0 DHADMM O=C([O-])c1ccoc1CNC1(c2ccc(F)cc2)CCCC1 ZINC000740252210 599803651 /nfs/dbraw/zinc/80/36/51/599803651.db2.gz LODBHUNORCCHSL-UHFFFAOYSA-N -1 1 303.333 3.676 20 0 DHADMM COc1ccccc1[C@@H]1CCCCN1Cc1cc(C(=O)[O-])co1 ZINC000738126525 599992741 /nfs/dbraw/zinc/99/27/41/599992741.db2.gz GMVPIHZCPNHOHG-INIZCTEOSA-N -1 1 315.369 3.714 20 0 DHADMM CCC[C@](C)(NCc1cc(-c2ccc(Cl)cc2)no1)C(=O)[O-] ZINC000736963096 600321860 /nfs/dbraw/zinc/32/18/60/600321860.db2.gz QNRLSEMDRUIXRP-INIZCTEOSA-N -1 1 322.792 3.728 20 0 DHADMM CC[C@H](C)CN(C)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000578634612 600324780 /nfs/dbraw/zinc/32/47/80/600324780.db2.gz CBMQZPKMMVKOCI-LBPRGKRZSA-N -1 1 318.442 3.986 20 0 DHADMM CN(Cc1ccccc1F)[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737492905 600397820 /nfs/dbraw/zinc/39/78/20/600397820.db2.gz XZGCOEFUEVQHFF-HNNXBMFYSA-N -1 1 307.752 3.737 20 0 DHADMM COc1ccc(C)cc1[C@@H](C)N[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737975411 600419305 /nfs/dbraw/zinc/41/93/05/600419305.db2.gz HPWNBJUAMRPCGO-SJKOYZFVSA-N -1 1 317.360 3.619 20 0 DHADMM Cc1cccc(F)c1CN[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000832969615 600756720 /nfs/dbraw/zinc/75/67/20/600756720.db2.gz MQCNGGACRGHHQD-OAHLLOKOSA-N -1 1 307.752 3.703 20 0 DHADMM CC[C@H](C)CN(C)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000584845034 600828821 /nfs/dbraw/zinc/82/88/21/600828821.db2.gz ONZORAQKXVXYNO-LBPRGKRZSA-N -1 1 318.442 3.986 20 0 DHADMM O=C([O-])[C@H]1CC12CCN(Cc1cc(Cl)ccc1Cl)CC2 ZINC000405366378 600954041 /nfs/dbraw/zinc/95/40/41/600954041.db2.gz KAVXFJGAMDHLND-GFCCVEGCSA-N -1 1 314.212 3.680 20 0 DHADMM Cc1ccc([C@H](C)N[C@@H](C(=O)[O-])c2ccccc2F)cc1F ZINC000832921401 601500026 /nfs/dbraw/zinc/50/00/26/601500026.db2.gz PWYLHYFGZRQGRV-MEDUHNTESA-N -1 1 305.324 3.750 20 0 DHADMM Cc1nc(CN2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])sc1C ZINC000579973941 601548402 /nfs/dbraw/zinc/54/84/02/601548402.db2.gz QWRCEFQSOBNJMK-HUUCEWRRSA-N -1 1 322.474 3.615 20 0 DHADMM C[C@@H](c1ccco1)N(Cc1ccc(C(=O)[O-])c(F)c1)C1CC1 ZINC000580097007 601659101 /nfs/dbraw/zinc/65/91/01/601659101.db2.gz WZCKQQLWXBDALP-NSHDSACASA-N -1 1 303.333 3.843 20 0 DHADMM Cc1ccccc1[C@H](C)SCc1ccnc(-c2nnn[n-]2)c1 ZINC000826305816 607536460 /nfs/dbraw/zinc/53/64/60/607536460.db2.gz JERYORWWBMCSRD-LBPRGKRZSA-N -1 1 311.414 3.565 20 0 DHADMM Cc1ccccc1[C@H](C)SCc1ccnc(-c2nn[n-]n2)c1 ZINC000826305816 607536462 /nfs/dbraw/zinc/53/64/62/607536462.db2.gz JERYORWWBMCSRD-LBPRGKRZSA-N -1 1 311.414 3.565 20 0 DHADMM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1C[C@@H]2CCC[C@@H]21 ZINC000833169227 602207868 /nfs/dbraw/zinc/20/78/68/602207868.db2.gz AEFZIPYOJHNGKG-HJIKLVIJSA-N -1 1 300.185 3.603 20 0 DHADMM C[C@@H](N[C@@H]1CCCN(C(=O)[O-])C1)c1cc(Cl)sc1Cl ZINC000827718786 604289736 /nfs/dbraw/zinc/28/97/36/604289736.db2.gz YBXLPBDVYMNQDN-HTQZYQBOSA-N -1 1 323.245 3.848 20 0 DHADMM CC(C)N(CC(=O)[O-])Cc1ccc(-c2c(F)cccc2F)o1 ZINC000263535780 604556988 /nfs/dbraw/zinc/55/69/88/604556988.db2.gz ZCANFNXDFXOGLT-UHFFFAOYSA-N -1 1 309.312 3.520 20 0 DHADMM C[C@H]1CN(Cc2cc(C(F)(F)F)ccc2Cl)C[C@@H]1C(=O)[O-] ZINC000833630501 604665784 /nfs/dbraw/zinc/66/57/84/604665784.db2.gz UIOSPQTZXSUMRJ-KWQFWETISA-N -1 1 321.726 3.511 20 0 DHADMM C[C@H]1CN(Cc2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]1C(=O)[O-] ZINC000833629667 604672449 /nfs/dbraw/zinc/67/24/49/604672449.db2.gz KUYXCVWTCINLTH-WPRPVWTQSA-N -1 1 321.726 3.511 20 0 DHADMM O=C([O-])CCCN(Cc1ccccc1)Cc1ccncc1Cl ZINC000629363651 604800265 /nfs/dbraw/zinc/80/02/65/604800265.db2.gz DXEWCRWWOGDAJR-UHFFFAOYSA-N -1 1 318.804 3.602 20 0 DHADMM O=C([O-])[C@H](CNc1ccnc2cc(F)ccc21)c1ccccc1 ZINC000833164739 604805508 /nfs/dbraw/zinc/80/55/08/604805508.db2.gz XWONNPYLELGJBQ-OAHLLOKOSA-N -1 1 310.328 3.654 20 0 DHADMM C/C(=C\CN[C@@H](C)c1cc(F)c(Cl)cc1Cl)C(=O)[O-] ZINC000833384488 605062318 /nfs/dbraw/zinc/06/23/18/605062318.db2.gz RJZOLFLPQPGXHZ-DKCNVOGISA-N -1 1 306.164 3.814 20 0 DHADMM CC[C@H](C)Oc1cc(C)ccc1CNCc1ccoc1C(=O)[O-] ZINC000833640977 605118313 /nfs/dbraw/zinc/11/83/13/605118313.db2.gz LETUIAQHKRLAET-ZDUSSCGKSA-N -1 1 317.385 3.753 20 0 DHADMM O=C([O-])Nc1ccc2c(c1)CC[C@H]2NCc1cc(F)ccc1F ZINC000834261275 605608176 /nfs/dbraw/zinc/60/81/76/605608176.db2.gz AWALFKFBWFDHQD-MRXNPFEDSA-N -1 1 318.323 3.832 20 0 DHADMM C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc(C(=O)[O-])cc1F ZINC000833604053 605701026 /nfs/dbraw/zinc/70/10/26/605701026.db2.gz COKQBKCXLQCCSE-CABZTGNLSA-N -1 1 319.298 3.687 20 0 DHADMM O=C([O-])N[C@@H]1C[C@H](NCc2ccc(F)c(F)c2)c2ccccc21 ZINC000834159705 605795692 /nfs/dbraw/zinc/79/56/92/605795692.db2.gz WADHZUYIKGGSOZ-JKSUJKDBSA-N -1 1 318.323 3.508 20 0 DHADMM Cc1ccc(Cl)c(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000822240074 606440734 /nfs/dbraw/zinc/44/07/34/606440734.db2.gz RFXGCWADSMIUFU-UHFFFAOYSA-N -1 1 322.155 3.669 20 0 DHADMM Cc1ccc(Cl)c(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000822240074 606440735 /nfs/dbraw/zinc/44/07/35/606440735.db2.gz RFXGCWADSMIUFU-UHFFFAOYSA-N -1 1 322.155 3.669 20 0 DHADMM Clc1ccc(Oc2cccc(-c3nnn[n-]3)n2)c2ccccc12 ZINC000826352652 607894956 /nfs/dbraw/zinc/89/49/56/607894956.db2.gz JCNRHCAHFJMFBF-UHFFFAOYSA-N -1 1 323.743 3.861 20 0 DHADMM Clc1ccc(Oc2cccc(-c3nn[n-]n3)n2)c2ccccc12 ZINC000826352652 607894957 /nfs/dbraw/zinc/89/49/57/607894957.db2.gz JCNRHCAHFJMFBF-UHFFFAOYSA-N -1 1 323.743 3.861 20 0 DHADMM O=C(N[C@H](c1cccc(F)c1)C1CCCC1)c1cncc([O-])c1 ZINC000339911115 1013061051 /nfs/dbraw/zinc/06/10/51/1013061051.db2.gz FDOIOYDBFULBBE-KRWDZBQOSA-N -1 1 314.360 3.588 20 0 DHADMM CC(C)c1cccc(Nc2nc(-c3nn[n-]n3)c(Cl)s2)c1 ZINC001574419655 948785769 /nfs/dbraw/zinc/78/57/69/948785769.db2.gz IJMDBJSGXHAXBL-UHFFFAOYSA-N -1 1 320.809 3.844 20 0 DHADMM C[C@H](Sc1ccnc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC001575504948 949097577 /nfs/dbraw/zinc/09/75/77/949097577.db2.gz ZQMGVUDTBGNGIB-VIFPVBQESA-N -1 1 317.805 3.768 20 0 DHADMM C[C@H](Sc1ccnc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC001575504948 949097603 /nfs/dbraw/zinc/09/76/03/949097603.db2.gz ZQMGVUDTBGNGIB-VIFPVBQESA-N -1 1 317.805 3.768 20 0 DHADMM COc1cc(C)c([N-]S(=O)(=O)c2cccc(F)c2)c(C)c1C ZINC000517996008 1013112671 /nfs/dbraw/zinc/11/26/71/1013112671.db2.gz GORROOMYDYAWBE-UHFFFAOYSA-N -1 1 323.389 3.560 20 0 DHADMM O=C([O-])[C@H]1C[C@H](NCc2c(Cl)ccc(Cl)c2Cl)C1 ZINC001595201493 952315450 /nfs/dbraw/zinc/31/54/50/952315450.db2.gz GWOQELLPDGRXOS-LJGSYFOKSA-N -1 1 308.592 3.600 20 0 DHADMM O=C([O-])CN(Cc1ccc(-c2cccc(F)c2F)o1)CC1CC1 ZINC000650798917 954030968 /nfs/dbraw/zinc/03/09/68/954030968.db2.gz NLLKCDNUOYKDKP-UHFFFAOYSA-N -1 1 321.323 3.521 20 0 DHADMM O=C([O-])[C@H](NCc1cc(F)ccc1Cl)c1ccc(F)cc1 ZINC001594843807 954110972 /nfs/dbraw/zinc/11/09/72/954110972.db2.gz RNBVZKJUTBRJPH-CQSZACIVSA-N -1 1 311.715 3.534 20 0 DHADMM COc1cc(C(=O)N(CCC(C)C)C2CC2)cc(Cl)c1[O-] ZINC000442856937 1013155239 /nfs/dbraw/zinc/15/52/39/1013155239.db2.gz MCJDVBXJMNPESD-UHFFFAOYSA-N -1 1 311.809 3.705 20 0 DHADMM Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)c2cncc([O-])c2)cc1 ZINC000339955036 1013164030 /nfs/dbraw/zinc/16/40/30/1013164030.db2.gz IUTOTDUWNXZHDE-KDOFPFPSSA-N -1 1 310.397 3.709 20 0 DHADMM COc1cccc(CN[C@H](C(=O)[O-])c2cccc(C)c2)c1Cl ZINC001594129796 958654828 /nfs/dbraw/zinc/65/48/28/958654828.db2.gz PMVIKWPKEKNTCG-INIZCTEOSA-N -1 1 319.788 3.573 20 0 DHADMM O=C([O-])c1ccc(F)c(CN2CCC[C@@H]2c2cccs2)c1 ZINC001231457663 960607636 /nfs/dbraw/zinc/60/76/36/960607636.db2.gz MHFANCFOYZWYLF-CQSZACIVSA-N -1 1 305.374 3.923 20 0 DHADMM C[C@@H]1CCc2[n-]n(-c3nc4ccc(Cl)cc4s3)c(=O)c21 ZINC000634595502 1013200957 /nfs/dbraw/zinc/20/09/57/1013200957.db2.gz DKZRDKRRTLWROV-JMCQJSRRSA-N -1 1 305.790 3.698 20 0 DHADMM Cc1cnc(C(=O)N2CC[C@@H](CC(C)(C)C)C2(C)C)c([O-])c1 ZINC001626303118 1013201843 /nfs/dbraw/zinc/20/18/43/1013201843.db2.gz AMWQVXSPOWTJRR-ZDUSSCGKSA-N -1 1 304.434 3.773 20 0 DHADMM Cc1cccc(CN(Cc2ccco2)C(=O)c2ncccc2[O-])c1 ZINC000426433869 1013228844 /nfs/dbraw/zinc/22/88/44/1013228844.db2.gz SYOYESBZMCLWQC-UHFFFAOYSA-N -1 1 322.364 3.531 20 0 DHADMM C[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC000652366591 1013381278 /nfs/dbraw/zinc/38/12/78/1013381278.db2.gz BZKGGAWNOGWHIV-TVQRCGJNSA-N -1 1 302.201 3.851 20 0 DHADMM CSc1ccc([O-])c(-c2nc([C@@H]3CCOC(C)(C)C3)no2)c1 ZINC000664902056 1013563202 /nfs/dbraw/zinc/56/32/02/1013563202.db2.gz MUIMTXCJKWTHCA-SNVBAGLBSA-N -1 1 320.414 3.837 20 0 DHADMM O=c1cc(C(F)F)nc(SC[C@@H]2CCc3ccccc32)[n-]1 ZINC000519730283 1013596113 /nfs/dbraw/zinc/59/61/13/1013596113.db2.gz YMUMCGGWUUDKAX-JTQLQIEISA-N -1 1 308.353 3.942 20 0 DHADMM O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1nccs1 ZINC000683546034 1013606063 /nfs/dbraw/zinc/60/60/63/1013606063.db2.gz XAYAYEBEBYUHBO-UHFFFAOYSA-N -1 1 322.802 3.567 20 0 DHADMM O=C([N-]c1cc(F)ccc1SCC(F)F)c1nccs1 ZINC000683566788 1013645213 /nfs/dbraw/zinc/64/52/13/1013645213.db2.gz FFZNXKOAJAXLHB-UHFFFAOYSA-N -1 1 318.345 3.892 20 0 DHADMM CC(C)(C)C(C)(C)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000647094368 1013744731 /nfs/dbraw/zinc/74/47/31/1013744731.db2.gz BKRHFDWXEIJPCF-UHFFFAOYSA-N -1 1 303.324 3.966 20 0 DHADMM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1sccc1F ZINC000340437749 1013787864 /nfs/dbraw/zinc/78/78/64/1013787864.db2.gz XXSSGEPBAWIKJJ-UHFFFAOYSA-N -1 1 322.752 3.578 20 0 DHADMM COc1cc(C(=O)N[C@H]2[C@H](C)CCC[C@@H]2C)cc(Cl)c1[O-] ZINC000334091226 1013886062 /nfs/dbraw/zinc/88/60/62/1013886062.db2.gz DXGPZLRDYSLKBU-MSRIBSCDSA-N -1 1 311.809 3.609 20 0 DHADMM CCCC[C@@H](CCC)[N-]S(=O)(=O)c1cccc(F)c1F ZINC001210499491 1013887944 /nfs/dbraw/zinc/88/79/44/1013887944.db2.gz PPMXHOBBZRGQDZ-LLVKDONJSA-N -1 1 305.390 3.602 20 0 DHADMM CC[C@@H]1CCC[C@@H](C[N@@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)C1 ZINC000394528974 972718214 /nfs/dbraw/zinc/71/82/14/972718214.db2.gz VZRZSULVNGQRQW-IIDMSEBBSA-N -1 1 301.430 3.887 20 0 DHADMM O=C([O-])[C@H](NCc1ccc(Cl)cc1F)c1ccc(F)cc1 ZINC001605904131 972749169 /nfs/dbraw/zinc/74/91/69/972749169.db2.gz SCLGGQUSNXYLPC-CQSZACIVSA-N -1 1 311.715 3.534 20 0 DHADMM O=C([O-])[C@@H]1CN(C/C=C\c2cccc(F)c2)Cc2ccccc21 ZINC001606046479 973153161 /nfs/dbraw/zinc/15/31/61/973153161.db2.gz RCDIVDBIOOBKJG-WLPBJKJWSA-N -1 1 311.356 3.523 20 0 DHADMM Cc1ccccc1[C@H](C(=O)[O-])N1CCc2c3ccccc3[nH]c2C1 ZINC000514867511 974293465 /nfs/dbraw/zinc/29/34/65/974293465.db2.gz WRJPVLXOVOKTFT-LJQANCHMSA-N -1 1 320.392 3.660 20 0 DHADMM Cc1nc(C)c(CN2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)s1 ZINC000574173502 974777888 /nfs/dbraw/zinc/77/78/88/974777888.db2.gz KYNLWXSOGJPBFR-GJZGRUSLSA-N -1 1 316.426 3.550 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CN1CC[C@H](c2c(F)cccc2F)C1 ZINC000575412484 974798895 /nfs/dbraw/zinc/79/88/95/974798895.db2.gz BDKWXOZDTKZJJY-NSHDSACASA-N -1 1 321.323 3.554 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CN1CC=C(c2cccc(C)c2)CC1 ZINC000579961446 974885525 /nfs/dbraw/zinc/88/55/25/974885525.db2.gz IZSUWQUOTYNMSB-UHFFFAOYSA-N -1 1 311.381 3.884 20 0 DHADMM O=C([O-])c1ccoc1CN1CCC[C@H]1c1cccc(Cl)c1 ZINC000580574732 974897001 /nfs/dbraw/zinc/89/70/01/974897001.db2.gz IICMIWIMXWWDPL-AWEZNQCLSA-N -1 1 305.761 3.968 20 0 DHADMM Cc1cc([C@@H](C)N2C[C@H](C)OC3(CCCCC3)C2)oc1C(=O)[O-] ZINC000656192467 975645097 /nfs/dbraw/zinc/64/50/97/975645097.db2.gz VOMVQLMOCNEOIJ-UONOGXRCSA-N -1 1 321.417 3.771 20 0 DHADMM CC(C)c1cccc(CNCc2ccc(C(=O)[O-])cc2F)c1 ZINC001591986761 976609485 /nfs/dbraw/zinc/60/94/85/976609485.db2.gz GYUWXXINIAJDMX-UHFFFAOYSA-N -1 1 301.361 3.937 20 0 DHADMM COc1cc(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)cc(Cl)c1[O-] ZINC000153890719 1014363816 /nfs/dbraw/zinc/36/38/16/1014363816.db2.gz RQIJYZUREQEIDE-GXTWGEPZSA-N -1 1 323.820 3.753 20 0 DHADMM CCOC(=O)c1noc2cc(-c3cc(F)c([O-])cc3F)ccc21 ZINC001211353553 1014369356 /nfs/dbraw/zinc/36/93/56/1014369356.db2.gz XSMGEFYGBUMPGQ-UHFFFAOYSA-N -1 1 319.263 3.655 20 0 DHADMM Cc1n[n-]c(=NCc2ccc(-c3ccccc3)cc2)n1C1CC1 ZINC000340708285 1014471753 /nfs/dbraw/zinc/47/17/53/1014471753.db2.gz JLSNSFYEWBFQLD-UHFFFAOYSA-N -1 1 304.397 3.622 20 0 DHADMM O=C([O-])[C@H](NCc1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC000756332296 978698080 /nfs/dbraw/zinc/69/80/80/978698080.db2.gz HRXOFITZRZAGOB-CQSZACIVSA-N -1 1 311.715 3.534 20 0 DHADMM O=C([O-])Cc1ccccc1CN1CCc2cc(Cl)ccc2C1 ZINC000846246170 979422647 /nfs/dbraw/zinc/42/26/47/979422647.db2.gz KAKCRSCNEUVRGN-UHFFFAOYSA-N -1 1 315.800 3.525 20 0 DHADMM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1cnc(-c2ccccc2)s1 ZINC000846273506 979440231 /nfs/dbraw/zinc/44/02/31/979440231.db2.gz GGNXHDYTXFTUCS-HNNXBMFYSA-N -1 1 318.442 3.741 20 0 DHADMM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)c1ccccn1 ZINC000871621277 979960345 /nfs/dbraw/zinc/96/03/45/979960345.db2.gz XSFAJAWPKRCNSD-IINYFYTJSA-N -1 1 324.302 3.577 20 0 DHADMM O=C([O-])CN(Cc1cc(C(F)(F)F)co1)C1CCCCC1 ZINC000872159802 980045283 /nfs/dbraw/zinc/04/52/83/980045283.db2.gz PEEWOAZERPLDNB-UHFFFAOYSA-N -1 1 305.296 3.518 20 0 DHADMM CC[C@@H](NCc1ccsc1C(=O)[O-])c1cc(F)ccc1F ZINC001595304848 980440357 /nfs/dbraw/zinc/44/03/57/980440357.db2.gz JJLNAQBSBRHNNG-CYBMUJFWSA-N -1 1 311.353 3.965 20 0 DHADMM CC[C@H](NCc1nc2cc(C(=O)[O-])ccc2[nH]1)c1ccc(C)cc1 ZINC001595305422 980446167 /nfs/dbraw/zinc/44/61/67/980446167.db2.gz HSRMERUVYJDOMS-HNNXBMFYSA-N -1 1 323.396 3.810 20 0 DHADMM Cc1ccoc1CN[C@H](C[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000901846440 980570295 /nfs/dbraw/zinc/57/02/95/980570295.db2.gz IPHKZRVZXBKHER-NVXWUHKLSA-N -1 1 313.397 3.641 20 0 DHADMM O=C([O-])C[C@@H]1CCCN1Cc1cc(C(F)(F)F)ccc1Cl ZINC000902011290 980689884 /nfs/dbraw/zinc/68/98/84/980689884.db2.gz IKVIUJAQGDIAAY-NSHDSACASA-N -1 1 321.726 3.798 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CN[C@@H]1CCSc2ccc(F)cc21 ZINC000902087347 980726769 /nfs/dbraw/zinc/72/67/69/980726769.db2.gz SWRMPFBFNGNTJN-CYBMUJFWSA-N -1 1 321.373 3.752 20 0 DHADMM Cc1[nH]c2c(cc(C)cc2CNCc2ccc(C(=O)[O-])o2)c1C ZINC000902185637 980773482 /nfs/dbraw/zinc/77/34/82/980773482.db2.gz RTOQMVNELWROTJ-UHFFFAOYSA-N -1 1 312.369 3.674 20 0 DHADMM CC[C@H](c1ccccc1)N(CC(=O)[O-])Cc1cc2cnccc2o1 ZINC001595363213 980779661 /nfs/dbraw/zinc/77/96/61/980779661.db2.gz YEXDXNJONNPDEJ-QGZVFWFLSA-N -1 1 324.380 3.866 20 0 DHADMM CC[C@H](c1ccccc1OC)N(C)Cc1cc(C(=O)[O-])c(C)[nH]1 ZINC001595364212 980791486 /nfs/dbraw/zinc/79/14/86/980791486.db2.gz QBDXZENZNQFTEL-MRXNPFEDSA-N -1 1 316.401 3.613 20 0 DHADMM CC(C)[C@@H](NCc1cccc(C(=O)[O-])n1)c1ccccc1Cl ZINC000902269417 980810095 /nfs/dbraw/zinc/81/00/95/980810095.db2.gz KUCGAUZEYZPTHM-MRXNPFEDSA-N -1 1 318.804 3.920 20 0 DHADMM O=C([O-])c1occc1CNC1(c2ccc(F)cc2F)CCCC1 ZINC000902351362 980846084 /nfs/dbraw/zinc/84/60/84/980846084.db2.gz PPPDERXAIBRCDE-UHFFFAOYSA-N -1 1 321.323 3.815 20 0 DHADMM CSc1ccccc1[C@H](C)NCc1cc(C(=O)[O-])c(C)o1 ZINC000902380768 980863474 /nfs/dbraw/zinc/86/34/74/980863474.db2.gz KKFKTLXJWIZVFH-JTQLQIEISA-N -1 1 305.399 3.859 20 0 DHADMM Cc1oc(CN[C@@H](c2ccc(F)c(C)c2)C2CC2)cc1C(=O)[O-] ZINC000902381481 980863633 /nfs/dbraw/zinc/86/36/33/980863633.db2.gz OBTGEUFVTGMSHK-QGZVFWFLSA-N -1 1 317.360 3.975 20 0 DHADMM Cc1cc([C@@H](NCc2cc(C(=O)[O-])co2)C2CC2)ccc1F ZINC000902380292 980864140 /nfs/dbraw/zinc/86/41/40/980864140.db2.gz JSFOJNHUWOSNDE-INIZCTEOSA-N -1 1 303.333 3.666 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CN[C@H]1CCCc2ccc(F)cc21 ZINC000902397778 980869700 /nfs/dbraw/zinc/86/97/00/980869700.db2.gz NEZRQPZQSVZDTB-HNNXBMFYSA-N -1 1 303.333 3.593 20 0 DHADMM CC[C@@H](NCc1cc(C(=O)[O-])oc1C)c1cc(F)ccc1OC ZINC000902571585 980938744 /nfs/dbraw/zinc/93/87/44/980938744.db2.gz AUWHMFODRDSJSJ-CQSZACIVSA-N -1 1 321.348 3.675 20 0 DHADMM O=C([O-])c1ccc(CN(Cc2ccoc2)C2CC2)c2ncccc12 ZINC000903946284 981071720 /nfs/dbraw/zinc/07/17/20/981071720.db2.gz DKSFUJQTUWBMMA-UHFFFAOYSA-N -1 1 322.364 3.691 20 0 DHADMM CC[C@H](NCc1ccc(C(=O)[O-])cn1)c1cccc(Cl)c1 ZINC000905720229 981122807 /nfs/dbraw/zinc/12/28/07/981122807.db2.gz ZRLIHZDYKDAZLW-HNNXBMFYSA-N -1 1 304.777 3.674 20 0 DHADMM COc1cc(C(=O)N2CC[C@@H]2c2ccccc2)cc(Cl)c1[O-] ZINC000442860859 1014749442 /nfs/dbraw/zinc/74/94/42/1014749442.db2.gz XAGCCUTVSRVCEC-CQSZACIVSA-N -1 1 317.772 3.641 20 0 DHADMM CCC[C@@H](C)C(=O)OCc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC000728328260 1014757152 /nfs/dbraw/zinc/75/71/52/1014757152.db2.gz PGWDTSVLJDYIRT-LLVKDONJSA-N -1 1 318.369 3.540 20 0 DHADMM O=C(NCC[C@H]1CC=CCC1)c1cc(Br)ccc1[O-] ZINC000706928439 1014757448 /nfs/dbraw/zinc/75/74/48/1014757448.db2.gz PIRCXVCIFOUVSV-NSHDSACASA-N -1 1 324.218 3.631 20 0 DHADMM CC1(C)C[C@H](C(=O)Nc2c([O-])cccc2F)c2ccccc2O1 ZINC000665304337 1014807302 /nfs/dbraw/zinc/80/73/02/1014807302.db2.gz NVUMSAZCGLXMDL-LBPRGKRZSA-N -1 1 315.344 3.815 20 0 DHADMM CCCOc1ccc(C(C)(C)NCc2occc2C(=O)[O-])cc1 ZINC001595954915 983142819 /nfs/dbraw/zinc/14/28/19/983142819.db2.gz SIMMTBXUCHGUTB-UHFFFAOYSA-N -1 1 317.385 3.792 20 0 DHADMM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000093910471 1014981928 /nfs/dbraw/zinc/98/19/28/1014981928.db2.gz WRUYKWICKMUMQX-SECBINFHSA-N -1 1 309.287 3.643 20 0 DHADMM Cc1n[n-]c(=NCc2cccc(Oc3ccccc3)c2)n1C1CC1 ZINC000340699973 1014985174 /nfs/dbraw/zinc/98/51/74/1014985174.db2.gz BYNOBROHXDNPSZ-UHFFFAOYSA-N -1 1 320.396 3.748 20 0 DHADMM O=C(Nc1cc(C(F)(F)F)ccc1F)c1cc(F)ccc1[O-] ZINC000095594047 1015164303 /nfs/dbraw/zinc/16/43/03/1015164303.db2.gz FLJXISMAFNBFRM-UHFFFAOYSA-N -1 1 317.213 3.942 20 0 DHADMM C[C@H]1CN(Cc2cc(C(=O)[O-])c3n2CCCC3)[C@@H]1c1ccccc1 ZINC001594537617 986160877 /nfs/dbraw/zinc/16/08/77/986160877.db2.gz WOKYSESDNWBHNT-LIRRHRJNSA-N -1 1 324.424 3.716 20 0 DHADMM CCSc1cccc(CNCc2cc(C(=O)[O-])c(C)o2)c1 ZINC001597277224 987333948 /nfs/dbraw/zinc/33/39/48/987333948.db2.gz KGXBGIXTTGORRL-UHFFFAOYSA-N -1 1 305.399 3.688 20 0 DHADMM CC[C@@H](N[C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccccc1F ZINC001597291109 987376366 /nfs/dbraw/zinc/37/63/66/987376366.db2.gz BHCWQOHOHDKIOM-HZPDHXFCSA-N -1 1 305.324 3.831 20 0 DHADMM CCc1[nH]c(CN2CCC[C@@H]2c2ccc(F)cc2)cc1C(=O)[O-] ZINC001597386221 987602599 /nfs/dbraw/zinc/60/25/99/987602599.db2.gz FYPNPSQTYQBNDP-QGZVFWFLSA-N -1 1 316.376 3.752 20 0 DHADMM CSc1cc(C)ccc1CNCc1ccc(/C=C\C(=O)[O-])o1 ZINC001599808367 988293562 /nfs/dbraw/zinc/29/35/62/988293562.db2.gz DRRMLQWPFYLVPP-FPLPWBNLSA-N -1 1 317.410 3.698 20 0 DHADMM CCc1ccc2c(c1)CN(Cc1csc(C(=O)[O-])c1)CC2 ZINC001597568078 988321652 /nfs/dbraw/zinc/32/16/52/988321652.db2.gz DLIWHEUXCGDXCW-UHFFFAOYSA-N -1 1 301.411 3.567 20 0 DHADMM CCc1cnc(CN[C@H]2CCCc3ccc(C(=O)[O-])cc32)s1 ZINC001597631443 988597831 /nfs/dbraw/zinc/59/78/31/988597831.db2.gz XLUUZTRMOVJWRG-HNNXBMFYSA-N -1 1 316.426 3.571 20 0 DHADMM CSc1ccccc1[C@@H](C)N[C@H](C)c1cncc(C(=O)[O-])c1 ZINC001599826499 988605437 /nfs/dbraw/zinc/60/54/37/988605437.db2.gz RUQALFGVRNLMGC-VXGBXAGGSA-N -1 1 316.426 3.914 20 0 DHADMM CCc1oc(CN(C)Cc2cc(C)cc(C)c2)cc1C(=O)[O-] ZINC001597792969 989337045 /nfs/dbraw/zinc/33/70/45/989337045.db2.gz OIJSDZBGVLHTRQ-UHFFFAOYSA-N -1 1 301.386 3.789 20 0 DHADMM O=C1c2ccc([O-])cc2O/C1=C\c1cnc(-c2ccccn2)s1 ZINC000084502985 1015526134 /nfs/dbraw/zinc/52/61/34/1015526134.db2.gz JZHJJNUKCMZUDC-NVNXTCNLSA-N -1 1 322.345 3.527 20 0 DHADMM CC(C)C[C@H](NCc1nc(C(=O)[O-])cs1)c1cccs1 ZINC001591182888 991981110 /nfs/dbraw/zinc/98/11/10/991981110.db2.gz CHPOFMYTDNOXTL-JTQLQIEISA-N -1 1 310.444 3.780 20 0 DHADMM CC(C)C[N@@H+](Cc1cccc(O)c1Cl)CC(C)(C)C(=O)[O-] ZINC001591343997 992326969 /nfs/dbraw/zinc/32/69/69/992326969.db2.gz KFQDEAGEOLXZKX-UHFFFAOYSA-N -1 1 313.825 3.614 20 0 DHADMM CC(C)C[N@H+](Cc1cccc([O-])c1Cl)CC(C)(C)C(=O)[O-] ZINC001591343997 992326974 /nfs/dbraw/zinc/32/69/74/992326974.db2.gz KFQDEAGEOLXZKX-UHFFFAOYSA-N -1 1 313.825 3.614 20 0 DHADMM CC(C)C[N@@H+](Cc1cccc([O-])c1Cl)CC(C)(C)C(=O)[O-] ZINC001591343997 992326986 /nfs/dbraw/zinc/32/69/86/992326986.db2.gz KFQDEAGEOLXZKX-UHFFFAOYSA-N -1 1 313.825 3.614 20 0 DHADMM CC(C)c1ccc(NC(=O)Cc2ccc([O-])c(Cl)c2)cn1 ZINC000928623679 1015702105 /nfs/dbraw/zinc/70/21/05/1015702105.db2.gz KZEOSYPUGOXKMS-UHFFFAOYSA-N -1 1 304.777 3.745 20 0 DHADMM O=C(Nc1ccc(Br)c([O-])c1)[C@H]1CCC[C@H](F)C1 ZINC001348965678 1015703261 /nfs/dbraw/zinc/70/32/61/1015703261.db2.gz FICYIDXCZNGQFT-IUCAKERBSA-N -1 1 316.170 3.622 20 0 DHADMM C[N@@H+](Cc1ccc(/C=C\C(=O)[O-])o1)Cc1ccc(Cl)cc1 ZINC001598518123 992643871 /nfs/dbraw/zinc/64/38/71/992643871.db2.gz QYGXLKKRJJDBDJ-HJWRWDBZSA-N -1 1 305.761 3.663 20 0 DHADMM CN(Cc1ccc(/C=C\C(=O)[O-])o1)Cc1ccc(Cl)cc1 ZINC001598518123 992643873 /nfs/dbraw/zinc/64/38/73/992643873.db2.gz QYGXLKKRJJDBDJ-HJWRWDBZSA-N -1 1 305.761 3.663 20 0 DHADMM CN(Cc1csc2ccccc12)Cc1occc1C(=O)[O-] ZINC001598541546 992906519 /nfs/dbraw/zinc/90/65/19/992906519.db2.gz NSCZNQPEYGHQFZ-UHFFFAOYSA-N -1 1 301.367 3.825 20 0 DHADMM C[C@@H](NCc1ccc(Br)cc1)c1cc(C(=O)[O-])co1 ZINC001593292992 994681363 /nfs/dbraw/zinc/68/13/63/994681363.db2.gz RCKNOHIBTLSWKY-SECBINFHSA-N -1 1 324.174 3.591 20 0 DHADMM C[C@@H](NCc1ccc2c(n1)CCCC2)c1cc(C(=O)[O-])cs1 ZINC001593304495 994747704 /nfs/dbraw/zinc/74/77/04/994747704.db2.gz MTAREIZOUAZEKA-LLVKDONJSA-N -1 1 316.426 3.571 20 0 DHADMM CCC[C@H](NC(=O)c1cc(Cl)c([O-])c(OC)c1)C1CCC1 ZINC000458310726 1015961264 /nfs/dbraw/zinc/96/12/64/1015961264.db2.gz RGKYADNKFUYWRM-ZDUSSCGKSA-N -1 1 311.809 3.753 20 0 DHADMM C[C@H](c1cc2ccccc2o1)N(C)Cc1ccc(C(=O)[O-])n1C ZINC001593687271 996126673 /nfs/dbraw/zinc/12/66/73/996126673.db2.gz PERFLWFKPPSHFF-GFCCVEGCSA-N -1 1 312.369 3.663 20 0 DHADMM CC1(C)CN(Cc2ccc(/C=C\C(=O)[O-])o2)[C@@H]1c1ccccc1 ZINC001593942840 996972510 /nfs/dbraw/zinc/97/25/10/996972510.db2.gz QSYCWGNHQUDRGX-RXQFDZFGSA-N -1 1 311.381 3.961 20 0 DHADMM COc1ccc(C(=O)[O-])cc1CN(C)Cc1ccc2cc[nH]c2c1 ZINC001599499263 997082324 /nfs/dbraw/zinc/08/23/24/997082324.db2.gz YHRSXNFMIWEVCF-UHFFFAOYSA-N -1 1 324.380 3.507 20 0 DHADMM CCc1nc(SCc2cc(-c3ccco3)on2)[n-]c(=O)c1C ZINC000657263951 1016136915 /nfs/dbraw/zinc/13/69/15/1016136915.db2.gz VRTCEBKZGZIGBZ-UHFFFAOYSA-N -1 1 317.370 3.593 20 0 DHADMM CCC(CC)[C@@H](C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000342244396 1016174801 /nfs/dbraw/zinc/17/48/01/1016174801.db2.gz DNIGJVYCMDYZCX-LLVKDONJSA-N -1 1 301.390 3.793 20 0 DHADMM C[C@@H]1[C@@H](C(F)(F)F)CCCN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC001594173101 998664941 /nfs/dbraw/zinc/66/49/41/998664941.db2.gz KSWQJOBDOGGCNT-SKDRFNHKSA-N -1 1 319.298 3.687 20 0 DHADMM CC1(C)CCc2ccccc2[C@@H](NC(=O)c2cncc([O-])c2)C1 ZINC000622582385 1016472112 /nfs/dbraw/zinc/47/21/12/1016472112.db2.gz QFMMYLMZPYQHDJ-KRWDZBQOSA-N -1 1 310.397 3.621 20 0 DHADMM O=C(NCc1cccc(Oc2ccccc2)c1)c1cncc([O-])c1 ZINC000346604064 1016477210 /nfs/dbraw/zinc/47/72/10/1016477210.db2.gz PAWYWECVDCDJMK-UHFFFAOYSA-N -1 1 320.348 3.510 20 0 DHADMM O=C(NCCC1CC(F)(F)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000622679349 1016523796 /nfs/dbraw/zinc/52/37/96/1016523796.db2.gz VAWIZCDPLWHHEK-UHFFFAOYSA-N -1 1 323.261 3.576 20 0 DHADMM CCc1nc(SCCc2ccc(F)c(F)c2)[n-]c(=O)c1C ZINC000582371445 1016635948 /nfs/dbraw/zinc/63/59/48/1016635948.db2.gz ZGUANMFNUDOFSI-UHFFFAOYSA-N -1 1 310.369 3.666 20 0 DHADMM C[C@H]1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000684870564 1016750814 /nfs/dbraw/zinc/75/08/14/1016750814.db2.gz JAMBZRDXDIOEOC-GXSJLCMTSA-N -1 1 301.308 3.720 20 0 DHADMM CN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)C(C1CC1)C1CC1 ZINC000684872556 1016757217 /nfs/dbraw/zinc/75/72/17/1016757217.db2.gz VLUMLQOXIZXWIX-UHFFFAOYSA-N -1 1 313.319 3.672 20 0 DHADMM O=C([O-])[C@H]1Cc2ccccc2CN1Cc1csc2ccccc12 ZINC000320453987 1016790940 /nfs/dbraw/zinc/79/09/40/1016790940.db2.gz WFTYMBNBSPIZGE-QGZVFWFLSA-N -1 1 323.417 3.913 20 0 DHADMM O=C(Cc1c(F)cccc1Cl)Nc1cc([O-])c(F)cc1F ZINC001160917404 1032207352 /nfs/dbraw/zinc/20/73/52/1032207352.db2.gz SXJJPQFMZFQHHO-UHFFFAOYSA-N -1 1 315.678 3.644 20 0 DHADMM C/C=C/COc1cccc(CC(=O)Nc2c([O-])cccc2F)c1 ZINC001146492638 1032221474 /nfs/dbraw/zinc/22/14/74/1032221474.db2.gz OIHGEVIXFOTZQG-NSCUHMNNSA-N -1 1 315.344 3.667 20 0 DHADMM Cc1ccc(C[C@H](C)NC(=O)c2ccc(F)c([O-])c2)c(C)c1 ZINC001146457832 1032221735 /nfs/dbraw/zinc/22/17/35/1032221735.db2.gz AXHOOOGQIIAUTO-ZDUSSCGKSA-N -1 1 301.361 3.509 20 0 DHADMM O=C(N[C@H](Cc1ccccc1)C1CC1)c1cc(Cl)ccc1[O-] ZINC001146544201 1032228401 /nfs/dbraw/zinc/22/84/01/1032228401.db2.gz 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/nfs/dbraw/zinc/08/07/16/1012080716.db2.gz RJJSLFUOTIUBMV-UHFFFAOYSA-N -1 1 314.332 3.984 20 0 DHADMM COc1ccc2c(c1)[C@@H](C(=O)Nc1ccc(F)cc1[O-])CCC2 ZINC000654966418 1012216526 /nfs/dbraw/zinc/21/65/26/1012216526.db2.gz ZPMVTYWQFATISQ-AWEZNQCLSA-N -1 1 315.344 3.599 20 0 DHADMM CCS[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1[O-] ZINC001137243345 1032613555 /nfs/dbraw/zinc/61/35/55/1032613555.db2.gz BFIZCCCUIQNZJK-JSGCOSHPSA-N -1 1 313.850 3.840 20 0 DHADMM Cc1sc(C)c2c1[n-]c(C[C@H]1COc3ccccc31)nc2=O ZINC000887319219 1032627322 /nfs/dbraw/zinc/62/73/22/1032627322.db2.gz OWIGTXUKAWDBFB-NSHDSACASA-N -1 1 312.394 3.732 20 0 DHADMM O=c1cc(C(F)F)nc(SCc2ccc(F)c(F)c2)[n-]1 ZINC000514831750 1012460134 /nfs/dbraw/zinc/46/01/34/1012460134.db2.gz RLKBMMQCSGKBFN-UHFFFAOYSA-N -1 1 304.268 3.690 20 0 DHADMM COC(=O)Cc1ccc(Nc2cc([O-])c(Cl)cc2F)cc1 ZINC001212620045 1032631082 /nfs/dbraw/zinc/63/10/82/1032631082.db2.gz AOXQWLIBIFSKEM-UHFFFAOYSA-N -1 1 309.724 3.644 20 0 DHADMM C[C@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)c1cncc([O-])c1 ZINC000339878431 1012987809 /nfs/dbraw/zinc/98/78/09/1012987809.db2.gz CSSAHHMESIGYCU-SNVBAGLBSA-N -1 1 324.302 3.639 20 0 DHADMM CC[C@@H]1COC(C)(C)CN1C(=O)c1ccc2ccccc2c1[O-] ZINC000403861271 1017112891 /nfs/dbraw/zinc/11/28/91/1017112891.db2.gz ZJSUOUBQHVYHLB-CQSZACIVSA-N -1 1 313.397 3.575 20 0 DHADMM CC[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])[C@@H](CC)CO1 ZINC000403943896 1017220168 /nfs/dbraw/zinc/22/01/68/1017220168.db2.gz WQWULBZWOSDQCH-JKSUJKDBSA-N -1 1 313.397 3.575 20 0 DHADMM CC(C)C1(c2ccccc2)CN(C(=O)c2ccc([O-])c(F)c2)C1 ZINC000665665281 1017262541 /nfs/dbraw/zinc/26/25/41/1017262541.db2.gz FNFHYLGJSKNHGW-UHFFFAOYSA-N -1 1 313.372 3.581 20 0 DHADMM CC(C)n1nccc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000350816656 1017335599 /nfs/dbraw/zinc/33/55/99/1017335599.db2.gz PYRSPBQCJJRZNK-UHFFFAOYSA-N -1 1 304.737 3.540 20 0 DHADMM O=C([N-]c1cccc(Cl)c1SCC(F)F)c1ccon1 ZINC000135621182 1017402550 /nfs/dbraw/zinc/40/25/50/1017402550.db2.gz ZWEGDDGJPKBUTD-UHFFFAOYSA-N -1 1 318.732 3.938 20 0 DHADMM COc1cc(-c2nc(C3CC(F)(F)C3)no2)cc(Cl)c1[O-] ZINC000351123979 1017419367 /nfs/dbraw/zinc/41/93/67/1017419367.db2.gz UAVBYIAAQISHKZ-UHFFFAOYSA-N -1 1 316.691 3.617 20 0 DHADMM O=C(N[C@@H]1CC12CCCCC2)c1ccc(Br)c([O-])c1 ZINC000181486662 1017756723 /nfs/dbraw/zinc/75/67/23/1017756723.db2.gz BDEDCTMKHQZTMS-CYBMUJFWSA-N -1 1 324.218 3.607 20 0 DHADMM C[C@@H]1C[C@@H](c2nc(-c3ccc([O-])cc3Cl)no2)C[C@H](C)O1 ZINC000445443175 1017863446 /nfs/dbraw/zinc/86/34/46/1017863446.db2.gz BHPQMXAVMXCIAF-ILWJIGKKSA-N -1 1 308.765 3.767 20 0 DHADMM CCc1ccc(/C=C\c2nc(-c3ccc([O-])c(F)c3)no2)o1 ZINC000445480824 1017876506 /nfs/dbraw/zinc/87/65/06/1017876506.db2.gz JWJRHLKFMSKYEO-VURMDHGXSA-N -1 1 300.289 3.907 20 0 DHADMM CSc1ccncc1[N-]C(=O)c1cc(-c2cccs2)on1 ZINC000674257588 1017905083 /nfs/dbraw/zinc/90/50/83/1017905083.db2.gz XVXITBNTHWCIMW-UHFFFAOYSA-N -1 1 317.395 3.772 20 0 DHADMM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc(F)cc1O ZINC000144114507 1017945987 /nfs/dbraw/zinc/94/59/87/1017945987.db2.gz CDEJYEBZPUTECP-UHFFFAOYSA-N -1 1 316.115 3.796 20 0 DHADMM COc1cc(C(=O)N[C@H](C)c2cc(C)oc2C)cc(Cl)c1[O-] ZINC000153681402 1017971258 /nfs/dbraw/zinc/97/12/58/1017971258.db2.gz MYJLFXITQMMRGG-SECBINFHSA-N -1 1 323.776 3.755 20 0 DHADMM Cc1cccc(CC2CN(C(=O)c3ccc(Cl)cc3[O-])C2)c1 ZINC000674746590 1018121444 /nfs/dbraw/zinc/12/14/44/1018121444.db2.gz XSDBPTLAJIYJSR-UHFFFAOYSA-N -1 1 315.800 3.669 20 0 DHADMM CCC[C@@H]1C[C@H](c2nc(-c3ccc([O-])cc3F)no2)CCO1 ZINC000278126677 1018176014 /nfs/dbraw/zinc/17/60/14/1018176014.db2.gz JVFIEQAQORXSIQ-ZYHUDNBSSA-N -1 1 306.337 3.644 20 0 DHADMM Cc1ccccc1C[C@H](C)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000446978230 1018308174 /nfs/dbraw/zinc/30/81/74/1018308174.db2.gz VWFKNVBGQHUMML-ZDUSSCGKSA-N -1 1 301.361 3.543 20 0 DHADMM C[C@H]1CC(=O)CC[C@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278229959 1018406299 /nfs/dbraw/zinc/40/62/99/1018406299.db2.gz RPHBPMIRFXBWEW-GZMMTYOYSA-N -1 1 306.749 3.568 20 0 DHADMM Cc1nc(CCCc2nc(-c3ccc([O-])cc3F)no2)cs1 ZINC000278238194 1018422556 /nfs/dbraw/zinc/42/25/56/1018422556.db2.gz SCNYAPFKYUJJMT-UHFFFAOYSA-N -1 1 319.361 3.522 20 0 DHADMM Cc1ccc([C@]2(C)CCN(C(=O)c3ccc([O-])cc3F)C2)cc1 ZINC000447694169 1018458563 /nfs/dbraw/zinc/45/85/63/1018458563.db2.gz HASLWQIQLOMONN-LJQANCHMSA-N -1 1 313.372 3.644 20 0 DHADMM CCC(CC)N(C(=O)c1cc(Cl)c([O-])c(OC)c1)C1CC1 ZINC000527196198 1018533380 /nfs/dbraw/zinc/53/33/80/1018533380.db2.gz LNVGWZGQFJJSAX-UHFFFAOYSA-N -1 1 311.809 3.847 20 0 DHADMM C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(F)cc2[O-])o1 ZINC000676056363 1018650468 /nfs/dbraw/zinc/65/04/68/1018650468.db2.gz ZCQANTLSMOQTHJ-GWCFXTLKSA-N -1 1 303.333 3.819 20 0 DHADMM Cc1ccc(Cl)c(OCC(=O)Nc2ccc(F)cc2[O-])c1 ZINC000676055018 1018650518 /nfs/dbraw/zinc/65/05/18/1018650518.db2.gz BTRXXEQPABMGFX-UHFFFAOYSA-N -1 1 309.724 3.511 20 0 DHADMM C[C@@]1(CN=c2nc(C(F)(F)F)[n-]s2)C[C@H]1c1ccccc1 ZINC000338737617 1018923833 /nfs/dbraw/zinc/92/38/33/1018923833.db2.gz FDMVSXNKIOPNCH-GWCFXTLKSA-N -1 1 313.348 3.585 20 0 DHADMM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccc(F)c(-c2cccs2)c1 ZINC000650793996 1018941667 /nfs/dbraw/zinc/94/16/67/1018941667.db2.gz PRDVUDZCACOITF-IAQYHMDHSA-N -1 1 319.401 3.992 20 0 DHADMM Cc1sc([C@H](C)NCc2cccc(C)c2C)nc1C(=O)[O-] ZINC000900075031 1018984295 /nfs/dbraw/zinc/98/42/95/1018984295.db2.gz INNYTTBAWCSEMZ-NSHDSACASA-N -1 1 304.415 3.617 20 0 DHADMM O=S(=O)([N-]c1ccccc1Cl)c1ccc(F)c(F)c1F ZINC000007402038 1019024460 /nfs/dbraw/zinc/02/44/60/1019024460.db2.gz JAUGWENLCJMGDO-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM O=C([N-]c1nnc(-c2ccccc2)s1)c1ccc(Cl)o1 ZINC000028283025 1019157241 /nfs/dbraw/zinc/15/72/41/1019157241.db2.gz ICPHHQJCZLCDFJ-UHFFFAOYSA-N -1 1 305.746 3.704 20 0 DHADMM CCCOc1cccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000032599761 1019243609 /nfs/dbraw/zinc/24/36/09/1019243609.db2.gz DBDAIEHOJXHXTA-UHFFFAOYSA-N -1 1 319.426 3.893 20 0 DHADMM C[C@H](C[N-]S(=O)(=O)c1cc2ccccc2o1)c1ccccc1 ZINC000084936000 1019302056 /nfs/dbraw/zinc/30/20/56/1019302056.db2.gz VJUKUOAGADKJQB-CYBMUJFWSA-N -1 1 315.394 3.515 20 0 DHADMM CCOc1ccc(-c2noc(-c3ncccc3[O-])n2)cc1Cl ZINC001212480708 1019418292 /nfs/dbraw/zinc/41/82/92/1019418292.db2.gz DGHCJZYPJVWHBK-UHFFFAOYSA-N -1 1 317.732 3.556 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)sc1C ZINC000091017006 1019428847 /nfs/dbraw/zinc/42/88/47/1019428847.db2.gz OCLUROVMJCWPCR-UHFFFAOYSA-N -1 1 319.810 3.958 20 0 DHADMM O=C(NCc1cc2ccccc2[nH]1)c1cc2ccccc2cc1[O-] ZINC000060471187 1019697310 /nfs/dbraw/zinc/69/73/10/1019697310.db2.gz HOVWGCOIJLCINM-UHFFFAOYSA-N -1 1 316.360 3.957 20 0 DHADMM Cc1onc(OC(F)F)c1[N-]C(=O)c1sccc1C(F)F ZINC000875617281 1032865352 /nfs/dbraw/zinc/86/53/52/1032865352.db2.gz GHLNDRCPVNLDGU-UHFFFAOYSA-N -1 1 324.255 3.836 20 0 DHADMM CCCC[C@@H](CCC)CNC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000084826797 1020220256 /nfs/dbraw/zinc/22/02/56/1020220256.db2.gz IWWWWLWGPXZMOE-CQSZACIVSA-N -1 1 321.465 3.538 20 0 DHADMM CSc1ccc([O-])c(-c2nc(-c3coc(C4CC4)n3)no2)c1 ZINC000624714295 1020396745 /nfs/dbraw/zinc/39/67/45/1020396745.db2.gz YYYXOVINQDZOMV-UHFFFAOYSA-N -1 1 315.354 3.697 20 0 DHADMM CC[C@@H](C)OCC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000628233183 1020427256 /nfs/dbraw/zinc/42/72/56/1020427256.db2.gz MGUYWAIAYGTKTC-SNVBAGLBSA-N -1 1 307.777 3.952 20 0 DHADMM O=C(Nc1ccc(Cl)cc1[O-])C(F)(F)c1ccccc1F ZINC000765883867 1020542450 /nfs/dbraw/zinc/54/24/50/1020542450.db2.gz LMVCROCJAROHRV-UHFFFAOYSA-N -1 1 315.678 3.915 20 0 DHADMM CCOc1cc(C(=O)N[C@@H](C)CCC2CC2)cc(Cl)c1[O-] ZINC000347854193 1020594634 /nfs/dbraw/zinc/59/46/34/1020594634.db2.gz YFNTUIFOJHDOHV-JTQLQIEISA-N -1 1 311.809 3.753 20 0 DHADMM O=c1nc(N[C@H]2CC[C@H](Cc3ccccc3)C2)cc(Cl)[n-]1 ZINC000858505129 1032925873 /nfs/dbraw/zinc/92/58/73/1032925873.db2.gz FVEIROXXKNMKFT-OLZOCXBDSA-N -1 1 303.793 3.659 20 0 DHADMM O=c1nc(N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)cc(Cl)[n-]1 ZINC000858521964 1032931947 /nfs/dbraw/zinc/93/19/47/1032931947.db2.gz UMTRGTLVGJITGU-CMPLNLGQSA-N -1 1 307.756 3.723 20 0 DHADMM C[C@H]1CCCN(C(=O)c2cnc(C3CC3)[n-]c2=O)c2ccccc21 ZINC000828198487 1020821700 /nfs/dbraw/zinc/82/17/00/1020821700.db2.gz WCBHWUQYEJYAIB-LBPRGKRZSA-N -1 1 323.396 3.604 20 0 DHADMM COc1cc(C(=O)NC2CCCCCCC2)cc(Cl)c1[O-] ZINC000736944079 1020835818 /nfs/dbraw/zinc/83/58/18/1020835818.db2.gz SROSFQIUXNWIEW-UHFFFAOYSA-N -1 1 311.809 3.897 20 0 DHADMM O=C(OCCOC1CCCCCC1)c1c([O-])cc(F)cc1F ZINC000740956995 1020967432 /nfs/dbraw/zinc/96/74/32/1020967432.db2.gz KRPVSNRXVDQQEZ-UHFFFAOYSA-N -1 1 314.328 3.567 20 0 DHADMM CC(C)c1ncc(S(=O)(=O)Oc2cccc(C(C)(C)C)c2)[n-]1 ZINC000741157770 1020985532 /nfs/dbraw/zinc/98/55/32/1020985532.db2.gz XWXWREJZRTYJMY-UHFFFAOYSA-N -1 1 322.430 3.598 20 0 DHADMM CC(C)c1nc(S(=O)(=O)Oc2cccc(C(C)(C)C)c2)c[n-]1 ZINC000741157770 1020985538 /nfs/dbraw/zinc/98/55/38/1020985538.db2.gz XWXWREJZRTYJMY-UHFFFAOYSA-N -1 1 322.430 3.598 20 0 DHADMM Cc1nc(-c2ccc(NC[C@H](C)C(C)(C)C)nc2)[n-]c(=O)c1C ZINC000742407824 1021116175 /nfs/dbraw/zinc/11/61/75/1021116175.db2.gz NZYDGEUDZAXATF-NSHDSACASA-N -1 1 314.433 3.955 20 0 DHADMM O=S(=O)([N-]c1ccsc1)c1ccc(OC2CCCC2)cc1 ZINC000743265238 1021253292 /nfs/dbraw/zinc/25/32/92/1021253292.db2.gz UMVSKTWKOCFVRA-UHFFFAOYSA-N -1 1 323.439 3.870 20 0 DHADMM CCc1cc(=O)[n-]c(SC[C@@H](C)COCc2ccccc2)n1 ZINC000917512353 1021284999 /nfs/dbraw/zinc/28/49/99/1021284999.db2.gz DPUGNCMKLOSABQ-ZDUSSCGKSA-N -1 1 318.442 3.690 20 0 DHADMM O=C(c1c(F)ccc([O-])c1F)N1CC[C@H](C2CCCCC2)C1 ZINC000618186818 1021317700 /nfs/dbraw/zinc/31/77/00/1021317700.db2.gz SZZRETNOQGRMHP-LBPRGKRZSA-N -1 1 309.356 3.713 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)CCC2CCCC2)c1 ZINC000744483950 1021558657 /nfs/dbraw/zinc/55/86/57/1021558657.db2.gz YWDVNPRVCGNKGI-UHFFFAOYSA-N -1 1 304.386 3.651 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cccc(C)c2C)c1 ZINC000744487960 1021560314 /nfs/dbraw/zinc/56/03/14/1021560314.db2.gz MOUMPZQMBUNPSL-UHFFFAOYSA-N -1 1 312.365 3.611 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(C)cc2C)c1 ZINC000744489938 1021562257 /nfs/dbraw/zinc/56/22/57/1021562257.db2.gz QELPZNYXZFDGRR-UHFFFAOYSA-N -1 1 312.365 3.611 20 0 DHADMM C[C@@H]1CCc2[n-]n(Cc3cccc(Br)c3)c(=O)c2C1 ZINC000634613856 1021592077 /nfs/dbraw/zinc/59/20/77/1021592077.db2.gz KLYAIDMAADCSQW-MFKMUULPSA-N -1 1 321.218 3.584 20 0 DHADMM CCCC[C@@H](CC)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000744769922 1021601769 /nfs/dbraw/zinc/60/17/69/1021601769.db2.gz SUPSJTSYOKNDPY-GFCCVEGCSA-N -1 1 318.369 3.758 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C[C@H]2CCCC[C@H]2C)c1 ZINC000744867145 1021613761 /nfs/dbraw/zinc/61/37/61/1021613761.db2.gz JGYILUIWGNZHEY-UKRRQHHQSA-N -1 1 318.413 3.897 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C[C@H]2CCC[C@@H](C)C2)c1 ZINC000744911097 1021624955 /nfs/dbraw/zinc/62/49/55/1021624955.db2.gz QJHCQJTYEMBJSQ-HIFRSBDPSA-N -1 1 318.413 3.897 20 0 DHADMM O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1ccns1 ZINC001143491382 1021650945 /nfs/dbraw/zinc/65/09/45/1021650945.db2.gz MJMNZRKEFYFRHR-UHFFFAOYSA-N -1 1 322.802 3.567 20 0 DHADMM COC(=O)Nc1ccc(NCc2cccc([O-])c2Cl)cc1 ZINC000328185232 1021694361 /nfs/dbraw/zinc/69/43/61/1021694361.db2.gz BOIWTIPDCXHBKQ-UHFFFAOYSA-N -1 1 306.749 3.836 20 0 DHADMM CCSCC[C@H](C)NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000619582502 1021796249 /nfs/dbraw/zinc/79/62/49/1021796249.db2.gz SJALWWOMDYMOMO-VIFPVBQESA-N -1 1 321.364 3.673 20 0 DHADMM CCO[C@H]1C[C@H](NC(=O)c2cc(Cl)ccc2[O-])C12CCCC2 ZINC001137104064 1033008502 /nfs/dbraw/zinc/00/85/02/1033008502.db2.gz BOLUNFYWCGPMKN-GJZGRUSLSA-N -1 1 323.820 3.513 20 0 DHADMM Cc1noc(C(F)(F)F)c1C(=O)[N-]c1cc(F)c(F)cc1F ZINC000746223890 1021893023 /nfs/dbraw/zinc/89/30/23/1021893023.db2.gz GZEBFTYVUWDWFX-UHFFFAOYSA-N -1 1 324.180 3.671 20 0 DHADMM Cc1cc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)c(C)o1 ZINC000756340545 1021966857 /nfs/dbraw/zinc/96/68/57/1021966857.db2.gz SVKWGIDWIHLBLB-OAHLLOKOSA-N -1 1 307.777 3.855 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)C1(c2ccc(F)cc2)CCC1 ZINC001625894008 1021989916 /nfs/dbraw/zinc/98/99/16/1021989916.db2.gz OBWGBNGXNXJUKO-UHFFFAOYSA-N -1 1 321.298 3.870 20 0 DHADMM O=C(c1ncc2ccccc2c1[O-])N1CCC[C@@H](C2CCC2)C1 ZINC000620203200 1022072328 /nfs/dbraw/zinc/07/23/28/1022072328.db2.gz RRBFGRDKACNOFP-OAHLLOKOSA-N -1 1 310.397 3.593 20 0 DHADMM COc1cc(C(=O)N2CCC[C@@H](C3CCC3)C2)cc(Cl)c1[O-] ZINC000620215499 1022087126 /nfs/dbraw/zinc/08/71/26/1022087126.db2.gz UQIMSSYJCPLVIV-GFCCVEGCSA-N -1 1 323.820 3.707 20 0 DHADMM O=C(NCCCCc1ccccc1)c1c([O-])cccc1Cl ZINC000920434286 1022125396 /nfs/dbraw/zinc/12/53/96/1022125396.db2.gz ZIAIYSCNIQJRQE-UHFFFAOYSA-N -1 1 303.789 3.798 20 0 DHADMM CC[C@@H](CNC(=O)c1c([O-])cccc1Cl)c1ccccc1 ZINC000920431250 1022125513 /nfs/dbraw/zinc/12/55/13/1022125513.db2.gz SVIJEMYXRFXCGM-LBPRGKRZSA-N -1 1 303.789 3.969 20 0 DHADMM O=C(NCc1ccc([O-])c(Cl)c1)N1CCC[C@H]2CCC[C@H]21 ZINC000876393139 1033036046 /nfs/dbraw/zinc/03/60/46/1033036046.db2.gz DCMQYXUCAIBHKD-TZMCWYRMSA-N -1 1 308.809 3.520 20 0 DHADMM O=C(NCc1ccc([O-])c(Cl)c1)N1CCC2(CCC2)CC1 ZINC000876397153 1033037555 /nfs/dbraw/zinc/03/75/55/1033037555.db2.gz WQVLHQVJLOXITO-UHFFFAOYSA-N -1 1 308.809 3.521 20 0 DHADMM O=C(NCc1ccc([O-])c(Cl)c1)N1CCC2(CCCC2)C1 ZINC000876393928 1033038383 /nfs/dbraw/zinc/03/83/83/1033038383.db2.gz MTWUGCLFPXZXFC-UHFFFAOYSA-N -1 1 308.809 3.521 20 0 DHADMM COc1ccc2cc(NC(=O)c3ccc([O-])cc3F)ccc2c1 ZINC000804307492 1022260559 /nfs/dbraw/zinc/26/05/59/1022260559.db2.gz KBVWFMIGJDHSFZ-UHFFFAOYSA-N -1 1 311.312 3.945 20 0 DHADMM C[C@H](SCc1ccccc1)C(=O)Nc1c([O-])cccc1F ZINC000609851244 1022365247 /nfs/dbraw/zinc/36/52/47/1022365247.db2.gz YNQDBZHZOBMIPY-NSHDSACASA-N -1 1 305.374 3.792 20 0 DHADMM CCC[C@H]1C[C@H](C(=O)Nc2cc(F)c([O-])cc2Cl)CCO1 ZINC000885675822 1022445977 /nfs/dbraw/zinc/44/59/77/1022445977.db2.gz BYEHALURVKQFHR-ZJUUUORDSA-N -1 1 315.772 3.719 20 0 DHADMM O=C([N-]c1nnc(C2CCCCC2)s1)c1coc(C2CC2)n1 ZINC000776748245 1022491693 /nfs/dbraw/zinc/49/16/93/1022491693.db2.gz VLWWIDYNSLVICP-UHFFFAOYSA-N -1 1 318.402 3.704 20 0 DHADMM CCc1cc(=O)[n-]c(SCCSc2ccccc2F)n1 ZINC000767058595 1022632767 /nfs/dbraw/zinc/63/27/67/1022632767.db2.gz XZSMPUFYGONQDD-UHFFFAOYSA-N -1 1 310.419 3.768 20 0 DHADMM CCOc1cc(C(=O)N2[C@H](C)CCC2(C)C)cc(Cl)c1[O-] ZINC000616178185 1022656494 /nfs/dbraw/zinc/65/64/94/1022656494.db2.gz VQZSDOBAVSJVDQ-SNVBAGLBSA-N -1 1 311.809 3.847 20 0 DHADMM O=C(Nc1ccc(-c2ccccc2)cn1)c1ccc([O-])c(F)c1 ZINC000767304803 1022686901 /nfs/dbraw/zinc/68/69/01/1022686901.db2.gz LTHBGRDAXYINPI-UHFFFAOYSA-N -1 1 308.312 3.846 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NC[C@H](C)C1CCCCC1 ZINC000856225895 1022775248 /nfs/dbraw/zinc/77/52/48/1022775248.db2.gz AWERFWSIOJOLRL-LBPRGKRZSA-N -1 1 319.449 3.560 20 0 DHADMM CSc1ccc([O-])c(C(=O)Nc2nccc(C)c2C2CC2)c1 ZINC000622146949 1023054408 /nfs/dbraw/zinc/05/44/08/1023054408.db2.gz JRLFNJOINGVOOS-UHFFFAOYSA-N -1 1 314.410 3.947 20 0 DHADMM CC1(C)CN(C(=O)c2ncc3ccccc3c2[O-])[C@@H]2CCC[C@@H]21 ZINC000615389595 1023074858 /nfs/dbraw/zinc/07/48/58/1023074858.db2.gz JKNZZWUFFYCNND-LSDHHAIUSA-N -1 1 310.397 3.591 20 0 DHADMM COc1ccc(Cl)c(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000622330361 1023117569 /nfs/dbraw/zinc/11/75/69/1023117569.db2.gz WDRGBHWOJPXAJZ-UHFFFAOYSA-N -1 1 313.687 3.585 20 0 DHADMM CC[C@H](NC(=O)c1c([O-])cccc1Cl)c1ccc(OC)cc1 ZINC000769636556 1023184701 /nfs/dbraw/zinc/18/47/01/1023184701.db2.gz BHBUYCHNICRWBS-AWEZNQCLSA-N -1 1 319.788 3.935 20 0 DHADMM CC[C@](C)(NC(=O)c1c([O-])cccc1Cl)c1nc(C)cs1 ZINC000769915755 1023232868 /nfs/dbraw/zinc/23/28/68/1023232868.db2.gz BABRRKXARSSKDH-HNNXBMFYSA-N -1 1 324.833 3.866 20 0 DHADMM O=C([N-]OCc1ccccc1)C1(Cc2ccc(Cl)cc2)CC1 ZINC000770600431 1023329745 /nfs/dbraw/zinc/32/97/45/1023329745.db2.gz ADPABEYQIJLOHF-UHFFFAOYSA-N -1 1 315.800 3.911 20 0 DHADMM CC/C(=C\C(=O)Nc1c([O-])cccc1F)c1ccc(OC)cc1 ZINC000770861429 1023353143 /nfs/dbraw/zinc/35/31/43/1023353143.db2.gz ITHCFNXJRIUCDN-VAWYXSNFSA-N -1 1 315.344 3.972 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)s1 ZINC000048653612 1023803033 /nfs/dbraw/zinc/80/30/33/1023803033.db2.gz LHCMZMRWSPYCGI-UHFFFAOYSA-N -1 1 319.810 3.904 20 0 DHADMM Cc1ccc2oc(C(=O)Nc3nc(Cl)ccc3[O-])cc2c1 ZINC000790047581 1024211818 /nfs/dbraw/zinc/21/18/18/1024211818.db2.gz JVKWJSRBQAFHRW-UHFFFAOYSA-N -1 1 302.717 3.748 20 0 DHADMM Cc1nc2ccc(C(=O)Nc3nc(Cl)ccc3[O-])cc2s1 ZINC000790047313 1024212339 /nfs/dbraw/zinc/21/23/39/1024212339.db2.gz JSFGRIBDQUFIEA-UHFFFAOYSA-N -1 1 319.773 3.611 20 0 DHADMM CSc1cc(C(=O)Nc2nc(Cl)ccc2[O-])ccc1F ZINC000790047975 1024214046 /nfs/dbraw/zinc/21/40/46/1024214046.db2.gz OIPJMGQBNBPMCL-UHFFFAOYSA-N -1 1 312.753 3.554 20 0 DHADMM C/C=C\C[C@H]1CCCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000626162213 1024310429 /nfs/dbraw/zinc/31/04/29/1024310429.db2.gz QNTXIDZIBVXEQV-DLGQBQFBSA-N -1 1 303.431 3.575 20 0 DHADMM O=C(NC[C@H]1CCC2(CCCCC2)O1)c1c([O-])cccc1Cl ZINC000791187216 1024449221 /nfs/dbraw/zinc/44/92/21/1024449221.db2.gz AJZMUWTVJNDSDG-GFCCVEGCSA-N -1 1 323.820 3.657 20 0 DHADMM CCO[C@@H](CNC(=O)c1c([O-])cccc1Cl)c1ccccc1 ZINC000772771709 1024477002 /nfs/dbraw/zinc/47/70/02/1024477002.db2.gz FBQXUHLLIJQVTM-HNNXBMFYSA-N -1 1 319.788 3.553 20 0 DHADMM CCn1nc(C)c(NC(=O)c2ccc(C(C)C)cc2[O-])c1C ZINC000271467339 1024516115 /nfs/dbraw/zinc/51/61/15/1024516115.db2.gz ZUJAAGMDEJITNA-UHFFFAOYSA-N -1 1 301.390 3.601 20 0 DHADMM O=C(c1c(F)ccc([O-])c1F)N1CCC[C@@H](c2ccccc2)C1 ZINC000348863849 1024634448 /nfs/dbraw/zinc/63/44/48/1024634448.db2.gz CLGQTUUZDCDCAX-CYBMUJFWSA-N -1 1 317.335 3.690 20 0 DHADMM Cc1csc2nc(-c3cccc(C(F)(F)F)n3)[n-]c(=O)c12 ZINC000348994625 1024658450 /nfs/dbraw/zinc/65/84/50/1024658450.db2.gz KLFQKVNLKHKCAB-UHFFFAOYSA-N -1 1 311.288 3.786 20 0 DHADMM O=S(=O)([N-]c1cc(F)ccc1Cl)c1ccc(F)cc1F ZINC000102748740 1024833194 /nfs/dbraw/zinc/83/31/94/1024833194.db2.gz RWYVTRHSKSVBGA-UHFFFAOYSA-N -1 1 321.707 3.558 20 0 DHADMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2o1 ZINC000073957089 1024887421 /nfs/dbraw/zinc/88/74/21/1024887421.db2.gz IIADYQGQNPQGER-UHFFFAOYSA-N -1 1 316.382 3.554 20 0 DHADMM Cc1cccc(NC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1C ZINC001202705839 1024924131 /nfs/dbraw/zinc/92/41/31/1024924131.db2.gz LGVKJZOLKBHEJC-UHFFFAOYSA-N -1 1 322.368 3.839 20 0 DHADMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1csc(-c2ccsc2)n1 ZINC000263527770 1025071262 /nfs/dbraw/zinc/07/12/62/1025071262.db2.gz UVNFBSJULSMQLY-MNOVXSKESA-N -1 1 322.455 3.557 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1cc(C2CC2)cnc1Cl ZINC000793735247 1025159213 /nfs/dbraw/zinc/15/92/13/1025159213.db2.gz GDVWBSAYJDSONL-UHFFFAOYSA-N -1 1 306.724 3.709 20 0 DHADMM Cc1ccc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])cc1Cl ZINC000319116518 1025168906 /nfs/dbraw/zinc/16/89/06/1025168906.db2.gz NIBLVXQNZFYNNI-KRWDZBQOSA-N -1 1 315.800 3.660 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)Nc1cc(C2CC2)ccn1 ZINC000353920336 1025290544 /nfs/dbraw/zinc/29/05/44/1025290544.db2.gz ANFFCBKALSCDEP-UHFFFAOYSA-N -1 1 303.749 3.962 20 0 DHADMM CCCc1nc(C)c(C(=O)Nc2cc(F)c([O-])cc2Cl)o1 ZINC000885677857 1025378798 /nfs/dbraw/zinc/37/87/98/1025378798.db2.gz BLPUSTDBJXYHEN-UHFFFAOYSA-N -1 1 312.728 3.686 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)C1CCC(F)(F)CC1 ZINC000885676143 1025379660 /nfs/dbraw/zinc/37/96/60/1025379660.db2.gz JZQKPGRBJYMCMD-UHFFFAOYSA-N -1 1 307.699 3.949 20 0 DHADMM CCn1nc(C2CC2)cc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885681955 1025380864 /nfs/dbraw/zinc/38/08/64/1025380864.db2.gz IHTXORYWWGAFEJ-UHFFFAOYSA-N -1 1 323.755 3.531 20 0 DHADMM CC[C@@H](C)CC[C@@H](O)CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885678106 1025381128 /nfs/dbraw/zinc/38/11/28/1025381128.db2.gz JIWKASJJKQKLJI-NXEZZACHSA-N -1 1 317.788 3.701 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1cscc1Br ZINC000354504056 1025445261 /nfs/dbraw/zinc/44/52/61/1025445261.db2.gz QSFUGLPYEPMHNJ-UHFFFAOYSA-N -1 1 316.151 3.608 20 0 DHADMM Cc1csc2nc(-c3ccc(Br)o3)[n-]c(=O)c12 ZINC000349005032 1025474195 /nfs/dbraw/zinc/47/41/95/1025474195.db2.gz MFECBSGXZILRAH-UHFFFAOYSA-N -1 1 311.160 3.728 20 0 DHADMM Cc1cc2cn[nH]c2c(C(=O)Nc2cc(Cl)c([O-])cc2F)c1 ZINC000805255427 1025565362 /nfs/dbraw/zinc/56/53/62/1025565362.db2.gz PXOMAOIKLLFSID-UHFFFAOYSA-N -1 1 319.723 3.622 20 0 DHADMM O=C(Nc1cc(Cl)c([O-])cc1F)c1c(O)cccc1Cl ZINC000805260436 1025568527 /nfs/dbraw/zinc/56/85/27/1025568527.db2.gz HDRBGGVFSAFZDJ-UHFFFAOYSA-N -1 1 316.115 3.796 20 0 DHADMM O=C(Nc1cc(Cl)c(O)cc1F)c1cccc(Cl)c1[O-] ZINC000805256913 1025568760 /nfs/dbraw/zinc/56/87/60/1025568760.db2.gz JSYZAEXJDWMFEO-UHFFFAOYSA-N -1 1 316.115 3.796 20 0 DHADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc2[nH]ccc21 ZINC000110140963 1025607135 /nfs/dbraw/zinc/60/71/35/1025607135.db2.gz QZWDXCBUZAYALE-UHFFFAOYSA-N -1 1 320.801 3.931 20 0 DHADMM CCOc1cc(C(=O)N2C[C@H]3CCCCC[C@H]32)cc(Cl)c1[O-] ZINC000359874703 1025723748 /nfs/dbraw/zinc/72/37/48/1025723748.db2.gz RCPBKYBIZMUWKJ-BXUZGUMPSA-N -1 1 323.820 3.849 20 0 DHADMM O=C(c1cncc([O-])c1)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000355550529 1025763108 /nfs/dbraw/zinc/76/31/08/1025763108.db2.gz ARGNHTGCIAYWPZ-MRXNPFEDSA-N -1 1 316.788 3.808 20 0 DHADMM CC(C)Oc1ncccc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000356423339 1026047016 /nfs/dbraw/zinc/04/70/16/1026047016.db2.gz HRRFABJXYSENPE-UHFFFAOYSA-N -1 1 321.764 3.872 20 0 DHADMM Cc1ccc(NC(=O)Nc2cc3ccc([O-])cc3oc2=O)c(C)c1 ZINC001202741199 1026171638 /nfs/dbraw/zinc/17/16/38/1026171638.db2.gz YNEBVSAMRXVDRV-UHFFFAOYSA-N -1 1 324.336 3.759 20 0 DHADMM Cc1ccccc1[C@H]1CCN(C(=O)c2c(F)ccc([O-])c2F)C1 ZINC000289939823 1026242877 /nfs/dbraw/zinc/24/28/77/1026242877.db2.gz ZJXWZSZLJGLOOJ-LBPRGKRZSA-N -1 1 317.335 3.609 20 0 DHADMM O=C(N[C@H]1CC[C@@H](c2ccc(F)cc2)C1)c1ccc([O-])cc1F ZINC000280175239 1026608258 /nfs/dbraw/zinc/60/82/58/1026608258.db2.gz CGQNVZYTLITIOF-OCCSQVGLSA-N -1 1 317.335 3.737 20 0 DHADMM COC(=O)c1cccc(-c2c(Cl)ccc([O-])c2F)c1OC ZINC001244543313 1026773979 /nfs/dbraw/zinc/77/39/79/1026773979.db2.gz RUJWGLKYPODWMB-UHFFFAOYSA-N -1 1 310.708 3.647 20 0 DHADMM CCCCc1nc(C(=O)OCC)c(NC(=O)C=C(CC)CC)[nH]1 ZINC001269123975 1026967513 /nfs/dbraw/zinc/96/75/13/1026967513.db2.gz PLVYYRDQOKAQKW-UHFFFAOYSA-N -1 1 321.421 3.614 20 0 DHADMM CC(=O)c1cccc(CSc2nc(C3CC3)cc(=O)[n-]2)c1 ZINC000295317679 1027194669 /nfs/dbraw/zinc/19/46/69/1027194669.db2.gz LIAZBVONSRAGGM-UHFFFAOYSA-N -1 1 300.383 3.555 20 0 DHADMM CC(=O)c1ccc(CSc2nc(C3CC3)cc(=O)[n-]2)cc1 ZINC000295439692 1027278322 /nfs/dbraw/zinc/27/83/22/1027278322.db2.gz VLSPRKVHRNMFTC-UHFFFAOYSA-N -1 1 300.383 3.555 20 0 DHADMM C=Cc1ccc(CCNC(=O)c2c([O-])cccc2Cl)cc1 ZINC000812594987 1027340212 /nfs/dbraw/zinc/34/02/12/1027340212.db2.gz VZTXSHVUZZJOFB-UHFFFAOYSA-N -1 1 301.773 3.661 20 0 DHADMM C[C@H](CCCC(F)(F)F)N=c1nc(C(F)(F)F)[n-]s1 ZINC000574908253 1027436456 /nfs/dbraw/zinc/43/64/56/1027436456.db2.gz BJADZMJYKNUANJ-RXMQYKEDSA-N -1 1 307.263 3.512 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1F ZINC000576901589 1027676786 /nfs/dbraw/zinc/67/67/86/1027676786.db2.gz ZEYBIUPNZMFUGP-UHFFFAOYSA-N -1 1 315.316 3.873 20 0 DHADMM O=C(C[C@@H]1OCCc2ccsc21)Nc1ccc([O-])c(Cl)c1 ZINC000365241859 1027907387 /nfs/dbraw/zinc/90/73/87/1027907387.db2.gz SCPILJOBJKYWAM-ZDUSSCGKSA-N -1 1 323.801 3.750 20 0 DHADMM C[C@H](O[N-]C(=O)C[C@H]1OCCc2ccsc21)c1ccccc1 ZINC000365633520 1027985000 /nfs/dbraw/zinc/98/50/00/1027985000.db2.gz IDFUQGGEXBMWSZ-SWLSCSKDSA-N -1 1 317.410 3.561 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)C1(c2cccnc2)CCCC1 ZINC000365858549 1028021992 /nfs/dbraw/zinc/02/19/92/1028021992.db2.gz VGRPRZKVDQDRIL-UHFFFAOYSA-N -1 1 316.788 3.891 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H]2CC3CCC2CC3)c1 ZINC000814494673 1028080209 /nfs/dbraw/zinc/08/02/09/1028080209.db2.gz XECRFWRCFCUJGC-MQBCKMQZSA-N -1 1 316.397 3.507 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H]1/C=C/c1cccs1 ZINC000368357717 1028342488 /nfs/dbraw/zinc/34/24/88/1028342488.db2.gz NATXVBWSZIGRHK-KTRBRXNASA-N -1 1 317.385 3.911 20 0 DHADMM O=S(=O)([N-]CCC1CCC1)c1cc(Cl)c(Cl)s1 ZINC001257515767 1028594495 /nfs/dbraw/zinc/59/44/95/1028594495.db2.gz QKGPYPDLXOVDRQ-UHFFFAOYSA-N -1 1 314.259 3.523 20 0 DHADMM CCOC(=O)c1cccc(SCC(=O)c2ccc([O-])cc2)c1 ZINC000565573462 1028606676 /nfs/dbraw/zinc/60/66/76/1028606676.db2.gz GTTGNRXPBQINKR-UHFFFAOYSA-N -1 1 316.378 3.544 20 0 DHADMM Cc1ccccc1CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001135342002 1028693583 /nfs/dbraw/zinc/69/35/83/1028693583.db2.gz QSLCBUDHKWRKBT-UHFFFAOYSA-N -1 1 309.287 3.649 20 0 DHADMM Cc1oc([C@@H](C)N2Cc3ccccc3C3(CC3)C2)cc1C(=O)[O-] ZINC000566362584 1028711633 /nfs/dbraw/zinc/71/16/33/1028711633.db2.gz UWMUPSOMTWXCPG-GFCCVEGCSA-N -1 1 311.381 3.895 20 0 DHADMM O=C([O-])C[C@@H]1CCCN(Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000566608059 1028753543 /nfs/dbraw/zinc/75/35/43/1028753543.db2.gz CKNUWHPHFFNFSP-JTQLQIEISA-N -1 1 319.298 3.531 20 0 DHADMM CCCc1ccc([N-]S(=O)(=O)c2ccccc2COC)cc1 ZINC000778557407 1028795001 /nfs/dbraw/zinc/79/50/01/1028795001.db2.gz PYOADQMHTMSENQ-UHFFFAOYSA-N -1 1 319.426 3.586 20 0 DHADMM Cc1ccc(C)c([C@@H]2CN(CCCCCC(=O)[O-])[C@@H](C)CO2)c1 ZINC000568065831 1029002394 /nfs/dbraw/zinc/00/23/94/1029002394.db2.gz IFIBEXJCHNASGJ-WMZOPIPTSA-N -1 1 319.445 3.710 20 0 DHADMM [O-]c1ccc(-c2noc([C@@H]3C[C@@]34CCc3ccccc34)n2)c(F)c1 ZINC000568158977 1029018577 /nfs/dbraw/zinc/01/85/77/1029018577.db2.gz IDEYEHKZAJOLNM-HNAYVOBHSA-N -1 1 322.339 3.953 20 0 DHADMM CC[C@H](C)CO[N-]C(=O)[C@@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000816980967 1029048625 /nfs/dbraw/zinc/04/86/25/1029048625.db2.gz XGAPTHPPLPRBML-KBPBESRZSA-N -1 1 305.418 3.723 20 0 DHADMM Cc1ccc(-c2cccnc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000373511004 1029065691 /nfs/dbraw/zinc/06/56/91/1029065691.db2.gz YGTRNJHVOKQGMD-UHFFFAOYSA-N -1 1 324.405 3.858 20 0 DHADMM [O-]c1cccnc1CN1CCc2c(Cl)c(Cl)ccc2C1 ZINC000568681554 1029110758 /nfs/dbraw/zinc/11/07/58/1029110758.db2.gz MMGDZSZCUKLLPR-UHFFFAOYSA-N -1 1 309.196 3.652 20 0 DHADMM CC(C)[C@@H]1C[C@H](NC(=O)C(=O)c2ccc([O-])cc2)c2ccccc21 ZINC000628908444 1029183846 /nfs/dbraw/zinc/18/38/46/1029183846.db2.gz VSTZEPQRPHEOJO-ROUUACIJSA-N -1 1 323.392 3.576 20 0 DHADMM C[C@H]1CC(F)(F)CCN1C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000628962654 1029196319 /nfs/dbraw/zinc/19/63/19/1029196319.db2.gz UJGNBALEYIEVBG-QMMMGPOBSA-N -1 1 323.261 3.671 20 0 DHADMM C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2cccc(F)c2[O-])o1 ZINC000628960553 1029196713 /nfs/dbraw/zinc/19/67/13/1029196713.db2.gz IEJJVFDDHKPPPD-ZYHUDNBSSA-N -1 1 303.333 3.819 20 0 DHADMM O=C(N[C@@H]1CCSc2ccc(F)cc21)c1ccc(F)c([O-])c1 ZINC001135953809 1029216756 /nfs/dbraw/zinc/21/67/56/1029216756.db2.gz BUUNZVNEUSTNSW-CYBMUJFWSA-N -1 1 321.348 3.637 20 0 DHADMM CCc1nc(SCc2ccc(OC)c(C)c2)[n-]c(=O)c1C ZINC000629185072 1029267605 /nfs/dbraw/zinc/26/76/05/1029267605.db2.gz XDMZXNZEQDTKNT-UHFFFAOYSA-N -1 1 304.415 3.662 20 0 DHADMM C[C@@H]1CC(C)(C)C[N@@H+]1Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000412050343 1029312244 /nfs/dbraw/zinc/31/22/44/1029312244.db2.gz YCTVLTYRGITTBJ-LLVKDONJSA-N -1 1 311.385 3.702 20 0 DHADMM COc1nnc(-c2c(F)ccc([O-])c2Cl)cc1C(F)(F)F ZINC001245833039 1029347690 /nfs/dbraw/zinc/34/76/90/1029347690.db2.gz RYVCJJHGROBKRR-UHFFFAOYSA-N -1 1 322.645 3.669 20 0 DHADMM C[C@@H]1C[C@H](C)[C@@H](C(=O)Nc2cc(Cl)c([O-])c3ccccc23)O1 ZINC000529540341 1029379883 /nfs/dbraw/zinc/37/98/83/1029379883.db2.gz YPEZYCOJUJUKRW-IEVXNVSRSA-N -1 1 319.788 3.951 20 0 DHADMM O=C(CC1CCOCC1)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529539813 1029381987 /nfs/dbraw/zinc/38/19/87/1029381987.db2.gz VHECEQJMNDLHQY-UHFFFAOYSA-N -1 1 319.788 3.954 20 0 DHADMM CC1(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CCOCC1 ZINC000529539297 1029400485 /nfs/dbraw/zinc/40/04/85/1029400485.db2.gz QFQZAKUOKUCXPG-UHFFFAOYSA-N -1 1 319.788 3.954 20 0 DHADMM O=C(Nc1ncc(-c2ccccc2)s1)c1ccc(F)c([O-])c1 ZINC001136302791 1029664127 /nfs/dbraw/zinc/66/41/27/1029664127.db2.gz XWPGHXKLZJERFQ-UHFFFAOYSA-N -1 1 314.341 3.907 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])c1cccc([C@H]2CCCOC2)c1 ZINC000530005501 1029710166 /nfs/dbraw/zinc/71/01/66/1029710166.db2.gz LOIYDHRNLNFFGA-AWEZNQCLSA-N -1 1 315.344 3.678 20 0 DHADMM CC1(C)C[C@H](C(=O)Nc2cccc(F)c2[O-])c2ccccc2O1 ZINC000530004325 1029710584 /nfs/dbraw/zinc/71/05/84/1029710584.db2.gz KIPMAQMCLFWFHS-LBPRGKRZSA-N -1 1 315.344 3.815 20 0 DHADMM Cc1[n-][nH]c(=O)c1NC(=O)c1csc(C2CCCCC2)c1 ZINC000820407802 1029721450 /nfs/dbraw/zinc/72/14/50/1029721450.db2.gz ROUVFMIUDIXFIZ-UHFFFAOYSA-N -1 1 305.403 3.785 20 0 DHADMM CC(C)(CC(=O)CSc1nc(C(F)F)cc(=O)[n-]1)C1CC1 ZINC000450959294 1029750089 /nfs/dbraw/zinc/75/00/89/1029750089.db2.gz PBMGFNDHSVEKLV-UHFFFAOYSA-N -1 1 316.373 3.607 20 0 DHADMM C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC001136405644 1029798265 /nfs/dbraw/zinc/79/82/65/1029798265.db2.gz VPHKQLWBDJEGDV-GHMZBOCLSA-N -1 1 315.335 3.967 20 0 DHADMM COc1cnc(C=Cc2ccc(-c3ccccc3F)o2)[n-]c1=O ZINC000821008676 1029804362 /nfs/dbraw/zinc/80/43/62/1029804362.db2.gz SQWPWDQQJUYQIF-CLFYSBASSA-N -1 1 312.300 3.760 20 0 DHADMM COc1cnc(C=Cc2ccccc2OC2CCCC2)[n-]c1=O ZINC000821008625 1029804673 /nfs/dbraw/zinc/80/46/73/1029804673.db2.gz RJINAAYQKWMPSL-KHPPLWFESA-N -1 1 312.369 3.683 20 0 DHADMM Cc1ccsc1CNC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001136442111 1029834330 /nfs/dbraw/zinc/83/43/30/1029834330.db2.gz HASHPCIRYHQFGQ-UHFFFAOYSA-N -1 1 313.378 3.551 20 0 DHADMM Cc1ccc2c(c1)[C@@H](NC(=O)c1c(F)ccc([O-])c1F)CCC2 ZINC000291029745 1030297238 /nfs/dbraw/zinc/29/72/38/1030297238.db2.gz YKVOWQKKOVWERD-AWEZNQCLSA-N -1 1 317.335 3.786 20 0 DHADMM Cc1cccnc1[C@H](NC(=O)c1ccc(Cl)cc1[O-])C(C)C ZINC001136824511 1030474892 /nfs/dbraw/zinc/47/48/92/1030474892.db2.gz UHZYGCXIWFWIQC-OAHLLOKOSA-N -1 1 318.804 3.876 20 0 DHADMM Cc1cnc(C(=O)N2CCC[C@@H]2c2ccccc2Cl)c([O-])c1 ZINC000358624009 1030562768 /nfs/dbraw/zinc/56/27/68/1030562768.db2.gz DUZUIXLIVKYEQD-CQSZACIVSA-N -1 1 316.788 3.726 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CC2(CCC2)[C@@H]1C1CC1 ZINC000291814939 1030655191 /nfs/dbraw/zinc/65/51/91/1030655191.db2.gz BWKOKUDSFSSNST-SFHVURJKSA-N -1 1 307.393 3.950 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1cc(C2CC2)[nH]c1C1CC1 ZINC000626277655 1030659313 /nfs/dbraw/zinc/65/93/13/1030659313.db2.gz JMANRCBKMUSJTA-UHFFFAOYSA-N -1 1 300.333 3.867 20 0 DHADMM CC(C)(CNC(=O)c1ccc2ccccc2c1[O-])C(F)(F)F ZINC000558706011 1030738893 /nfs/dbraw/zinc/73/88/93/1030738893.db2.gz HPMKEAILBNSXIA-UHFFFAOYSA-N -1 1 311.303 3.864 20 0 DHADMM CCSCC[C@H](C)NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001137013012 1030764605 /nfs/dbraw/zinc/76/46/05/1030764605.db2.gz OXVYBPCSVCSZKC-NSHDSACASA-N -1 1 319.426 3.513 20 0 DHADMM O=C(Nc1cccc(Oc2ccccn2)c1)c1ccc(F)c([O-])c1 ZINC001137016880 1030769876 /nfs/dbraw/zinc/76/98/76/1030769876.db2.gz NMXXGSSXOFZWCU-UHFFFAOYSA-N -1 1 324.311 3.971 20 0 DHADMM CC(C)CC(C)(C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000629375849 1030829736 /nfs/dbraw/zinc/82/97/36/1030829736.db2.gz NRSUGKUMOFVTLZ-UHFFFAOYSA-N -1 1 301.390 3.589 20 0 DHADMM CCC[C@H](C(=O)[N-]OCCCC(F)(F)F)c1ccccc1 ZINC000871209888 1031159876 /nfs/dbraw/zinc/15/98/76/1031159876.db2.gz JYEVSMQIQZAIAR-ZDUSSCGKSA-N -1 1 303.324 3.961 20 0 DHADMM CC[C@H](Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1)C(C)=O ZINC000871667298 1031259755 /nfs/dbraw/zinc/25/97/55/1031259755.db2.gz GTYJAJMPDROTNF-ZDUSSCGKSA-N -1 1 302.399 3.617 20 0 DHADMM CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000872160871 1031545079 /nfs/dbraw/zinc/54/50/79/1031545079.db2.gz NWASDPHPLXYFJV-JTQLQIEISA-N -1 1 319.323 3.621 20 0 DHADMM CCOc1ccccc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445467917 1031551601 /nfs/dbraw/zinc/55/16/01/1031551601.db2.gz BUEIFHZWDNXNQG-UHFFFAOYSA-N -1 1 300.289 3.647 20 0 DHADMM CC(C)[C@@H](C)N(C)C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC000929907273 1031643320 /nfs/dbraw/zinc/64/33/20/1031643320.db2.gz JLOXAIGBMZSXKG-GFCCVEGCSA-N -1 1 315.369 3.581 20 0 DHADMM [O-]c1cc(F)c(CN2CCSC[C@H]2c2ccccc2)c(F)c1 ZINC001144555151 1031703731 /nfs/dbraw/zinc/70/37/31/1031703731.db2.gz XLNSHOXEYWTXHF-KRWDZBQOSA-N -1 1 321.392 3.961 20 0 DHADMM COc1ccc([C@@H](C)N(C)Cc2c(F)cc([O-])cc2F)cc1 ZINC001144558735 1031711210 /nfs/dbraw/zinc/71/12/10/1031711210.db2.gz BNNLLXYFNPHUQR-LLVKDONJSA-N -1 1 307.340 3.872 20 0 DHADMM C[C@H]1CN(Cc2c(F)cc([O-])cc2F)[C@@H](c2ccccc2)CO1 ZINC001144567553 1031722129 /nfs/dbraw/zinc/72/21/29/1031722129.db2.gz RHHKAQCADSJFSG-KPZWWZAWSA-N -1 1 319.351 3.632 20 0 DHADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H](c2ccccc2)C2CCC2)c1 ZINC001144623018 1031772074 /nfs/dbraw/zinc/77/20/74/1031772074.db2.gz KUGPQXWQVBSBAY-SFHVURJKSA-N -1 1 323.392 3.784 20 0 DHADMM [O-]c1cc(F)c(CN2CCCC[C@H]2c2cccnc2)cc1F ZINC001144666117 1031802331 /nfs/dbraw/zinc/80/23/31/1031802331.db2.gz GWMVWCGCGBVAMM-INIZCTEOSA-N -1 1 304.340 3.793 20 0 DHADMM [O-]c1cc(F)c(CN2CCc3cccc(Cl)c3C2)cc1F ZINC001144659260 1031813469 /nfs/dbraw/zinc/81/34/69/1031813469.db2.gz APNVFJZXUTZBJF-UHFFFAOYSA-N -1 1 309.743 3.882 20 0 DHADMM C/C(=C/CN(Cc1c(F)cccc1F)C1CCCC1)C(=O)[O-] ZINC000846244318 1031941477 /nfs/dbraw/zinc/94/14/77/1031941477.db2.gz PPHHAGJPZXUXLT-XFXZXTDPSA-N -1 1 309.356 3.740 20 0 DHADMM CSc1ccc(CCC(=O)Nc2cc(F)cc(F)c2[O-])cc1 ZINC001142545439 1031996764 /nfs/dbraw/zinc/99/67/64/1031996764.db2.gz BMLRXOSWNKADEO-UHFFFAOYSA-N -1 1 323.364 3.964 20 0 DHADMM CCC[N@H+](Cc1nnc(-c2ccccc2O)o1)Cc1ccccc1 ZINC000877899870 1033502424 /nfs/dbraw/zinc/50/24/24/1033502424.db2.gz JKTXGQVYXLNRDQ-UHFFFAOYSA-N -1 1 323.396 3.854 20 0 DHADMM [O-]c1cnccc1-c1nc(-c2ccc3nccc(Cl)c3c2)no1 ZINC001212721261 1033697603 /nfs/dbraw/zinc/69/76/03/1033697603.db2.gz GVRPOSAPSXHJCP-UHFFFAOYSA-N -1 1 324.727 3.706 20 0 DHADMM Cc1ccc(-c2noc(-c3ccncc3[O-])n2)c2ccccc12 ZINC001212721198 1033697666 /nfs/dbraw/zinc/69/76/66/1033697666.db2.gz CUWSMZMJQBMDQD-UHFFFAOYSA-N -1 1 303.321 3.966 20 0 DHADMM [O-]c1cnccc1-c1nc(-c2cccc(Cl)c2Cl)no1 ZINC001212721564 1033700575 /nfs/dbraw/zinc/70/05/75/1033700575.db2.gz WSTAMRDQBLPNCI-UHFFFAOYSA-N -1 1 308.124 3.811 20 0 DHADMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3ncsc3c2)c1 ZINC000479479660 1033771752 /nfs/dbraw/zinc/77/17/52/1033771752.db2.gz AIKYXAHTANPRLW-UHFFFAOYSA-N -1 1 318.423 3.714 20 0 DHADMM CCc1cc(Cl)cnc1[N-]S(=O)(=O)Cc1ccccc1C ZINC000863450669 1034101143 /nfs/dbraw/zinc/10/11/43/1034101143.db2.gz NFBIJEXHWJQRTO-UHFFFAOYSA-N -1 1 324.833 3.548 20 0 DHADMM O=c1cc(CSCCC(F)(F)F)c2ccc([O-])cc2o1 ZINC000794538383 1034134600 /nfs/dbraw/zinc/13/46/00/1034134600.db2.gz RKWQKHQUWIGFRK-UHFFFAOYSA-N -1 1 304.289 3.684 20 0 DHADMM Cc1ccc(N(CC2CC2)C(=O)c2ccc(O)cc2[O-])cc1F ZINC000863601180 1034140002 /nfs/dbraw/zinc/14/00/02/1034140002.db2.gz QTAJCUVLIAKSHW-UHFFFAOYSA-N -1 1 315.344 3.602 20 0 DHADMM CCN(CC)C(=O)c1cccc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001174167842 1034190631 /nfs/dbraw/zinc/19/06/31/1034190631.db2.gz CDLLTUUYPGFKSK-UHFFFAOYSA-N -1 1 320.339 3.896 20 0 DHADMM CCCn1cc(Nc2ccc(F)c(Br)c2[O-])cn1 ZINC001174222114 1034231328 /nfs/dbraw/zinc/23/13/28/1034231328.db2.gz ZZRJNLLEEFCDCH-UHFFFAOYSA-N -1 1 314.158 3.644 20 0 DHADMM O=c1oc2cc([O-])ccc2cc1Nc1ccnc(C(F)(F)F)c1 ZINC001174362888 1034338121 /nfs/dbraw/zinc/33/81/21/1034338121.db2.gz SSIJAWDPNHHMKD-UHFFFAOYSA-N -1 1 322.242 3.656 20 0 DHADMM O=c1ccn(-c2ccc(Nc3ccc4ncsc4c3)cc2)[n-]1 ZINC001174365882 1034341564 /nfs/dbraw/zinc/34/15/64/1034341564.db2.gz ZUMLQPYPZHUHOA-UHFFFAOYSA-N -1 1 308.366 3.931 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])[C@@H](c1ccncc1)C1CCCC1 ZINC000899140883 1034467188 /nfs/dbraw/zinc/46/71/88/1034467188.db2.gz DVFMWBXZVPWAOT-MRXNPFEDSA-N -1 1 314.360 3.839 20 0 DHADMM CCC(=O)[C@@H]1CCCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000185825522 1034576487 /nfs/dbraw/zinc/57/64/87/1034576487.db2.gz WDENIHXTVAWRKR-INIZCTEOSA-N -1 1 311.381 3.519 20 0 DHADMM O=C(Cc1ccc([O-])c(Cl)c1)NCC[C@H]1CCCC1(F)F ZINC000881588386 1034643335 /nfs/dbraw/zinc/64/33/35/1034643335.db2.gz BAPPYDUHJBIPMY-LLVKDONJSA-N -1 1 317.763 3.530 20 0 DHADMM CCOc1ccc(Nc2cc3ccc([O-])cc3oc2=O)c(F)c1 ZINC001175247602 1034891168 /nfs/dbraw/zinc/89/11/68/1034891168.db2.gz DNPCFLMUZKUIRD-UHFFFAOYSA-N -1 1 315.300 3.780 20 0 DHADMM CC(C)OC(=O)c1ccc([N-]c2nnc(C(C)(C)C)o2)cc1 ZINC001175257903 1034908798 /nfs/dbraw/zinc/90/87/98/1034908798.db2.gz SAEUABQTVCVZFW-UHFFFAOYSA-N -1 1 303.362 3.676 20 0 DHADMM CC(=O)c1oc2cccnc2c1Nc1c(F)ccc([O-])c1F ZINC001175265890 1034914696 /nfs/dbraw/zinc/91/46/96/1034914696.db2.gz LUSJRMQTUPRQEU-UHFFFAOYSA-N -1 1 304.252 3.758 20 0 DHADMM COc1ncc([N-]c2cc(-c3ccc(OC)cc3)no2)s1 ZINC001175386941 1034964446 /nfs/dbraw/zinc/96/44/46/1034964446.db2.gz JVQVZWSBROQNFK-UHFFFAOYSA-N -1 1 303.343 3.559 20 0 DHADMM CS(=O)(=O)c1ccc([O-])c(Nc2cccc3ccsc32)c1 ZINC001175386651 1034965050 /nfs/dbraw/zinc/96/50/50/1034965050.db2.gz XKVVNLYGYGBHHB-UHFFFAOYSA-N -1 1 319.407 3.754 20 0 DHADMM COc1ccc(Nc2ccc(Cl)c(Cl)c2[O-])cc1CO ZINC001175987383 1035175338 /nfs/dbraw/zinc/17/53/38/1035175338.db2.gz UHSNUBWTGVETIG-UHFFFAOYSA-N -1 1 314.168 3.944 20 0 DHADMM Cc1cc(NC(=O)c2ccc3ccc(O)cc3c2[O-])cc(O)c1C ZINC001176266392 1035239317 /nfs/dbraw/zinc/23/93/17/1035239317.db2.gz BRUHDTWNPPIXKW-UHFFFAOYSA-N -1 1 323.348 3.826 20 0 DHADMM [S-]c1ccc(Nc2ccc(CCN3CCOCC3)cc2)cc1 ZINC001176382808 1035252855 /nfs/dbraw/zinc/25/28/55/1035252855.db2.gz KIRHCLZLKLTTCG-UHFFFAOYSA-N -1 1 314.454 3.594 20 0 DHADMM Cc1cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c2ccccc2n1 ZINC001176582977 1035289730 /nfs/dbraw/zinc/28/97/30/1035289730.db2.gz SMZKMOAVSJSDMF-UHFFFAOYSA-N -1 1 318.376 3.825 20 0 DHADMM Cn1cc(Nc2c([O-])cc(F)cc2F)c(-c2ccccc2)n1 ZINC001176568482 1035297424 /nfs/dbraw/zinc/29/74/24/1035297424.db2.gz GVJQUWLXBYXWLR-UHFFFAOYSA-N -1 1 301.296 3.815 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cc(-c3ccccn3)no2)c1F ZINC001176664192 1035309125 /nfs/dbraw/zinc/30/91/25/1035309125.db2.gz MYKRFXWZTNSOLH-UHFFFAOYSA-N -1 1 307.231 3.603 20 0 DHADMM Cc1nc(Cl)c(Nc2c(F)cc(F)c([O-])c2F)c(Cl)n1 ZINC001176664043 1035309165 /nfs/dbraw/zinc/30/91/65/1035309165.db2.gz KDIQJRFYBJEHEJ-UHFFFAOYSA-N -1 1 324.089 3.958 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cc(CO)ccc2Cl)c1F ZINC001176670823 1035310193 /nfs/dbraw/zinc/31/01/93/1035310193.db2.gz MJLWPPNTGSTCMQ-UHFFFAOYSA-N -1 1 303.667 3.699 20 0 DHADMM CP(C)(=O)c1ccccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176672406 1035312305 /nfs/dbraw/zinc/31/23/05/1035312305.db2.gz JOMLSSZIAYWPPL-UHFFFAOYSA-N -1 1 315.231 3.801 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2nc3c(cccc3O)s2)c1F ZINC001176661768 1035316586 /nfs/dbraw/zinc/31/65/86/1035316586.db2.gz CRFLEWDASNSMRI-UHFFFAOYSA-N -1 1 312.272 3.868 20 0 DHADMM COc1cc(Nc2c(F)cc(F)c([O-])c2F)cnc1Cl ZINC001176662850 1035317402 /nfs/dbraw/zinc/31/74/02/1035317402.db2.gz ANYUBVYONSKSAG-UHFFFAOYSA-N -1 1 304.655 3.610 20 0 DHADMM Cc1scc(CN[C@@H](CC(=O)[O-])c2ccccc2F)c1C ZINC000904044769 1035351300 /nfs/dbraw/zinc/35/13/00/1035351300.db2.gz DBKGHOQTLQHENC-HNNXBMFYSA-N -1 1 307.390 3.810 20 0 DHADMM Cc1[nH]nc2cc(NC(=O)c3cc(F)c([O-])c(Cl)c3)ccc12 ZINC000195060120 1035405527 /nfs/dbraw/zinc/40/55/27/1035405527.db2.gz RZNLXFDZLKVMRN-UHFFFAOYSA-N -1 1 319.723 3.622 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1cncc2ccccc21 ZINC001179656831 1035487317 /nfs/dbraw/zinc/48/73/17/1035487317.db2.gz WVIQEXYFKUHKBQ-UHFFFAOYSA-N -1 1 316.719 3.985 20 0 DHADMM CC(C)Oc1ncccc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001179659983 1035488573 /nfs/dbraw/zinc/48/85/73/1035488573.db2.gz JQIFBDQYJRBZEW-UHFFFAOYSA-N -1 1 324.739 3.619 20 0 DHADMM Cc1nc(C(C)C)ccc1CN[C@H](C(=O)[O-])c1ccccc1F ZINC000905377538 1035511694 /nfs/dbraw/zinc/51/16/94/1035511694.db2.gz VVGCRUKGJTYINM-KRWDZBQOSA-N -1 1 316.376 3.568 20 0 DHADMM Cc1nc(Cl)c(Nc2cc([O-])c(F)c(F)c2F)c(Cl)n1 ZINC001249959553 1035610272 /nfs/dbraw/zinc/61/02/72/1035610272.db2.gz XBSDGTWSPWRXMW-UHFFFAOYSA-N -1 1 324.089 3.958 20 0 DHADMM O=C(Nc1ncc(-c2cccc(F)c2)s1)c1ccccc1[O-] ZINC001180660078 1035737303 /nfs/dbraw/zinc/73/73/03/1035737303.db2.gz YFRQEBLGNCLJIU-UHFFFAOYSA-N -1 1 314.341 3.907 20 0 DHADMM Cc1cc(C)c(CCNC(=O)c2c(F)ccc([O-])c2F)c(C)c1 ZINC000539462904 1035737573 /nfs/dbraw/zinc/73/75/73/1035737573.db2.gz BTTVRDSPMSLDBQ-UHFFFAOYSA-N -1 1 319.351 3.568 20 0 DHADMM CC[C@@H](C)c1ccc([N-]S(=O)(=O)c2ccccc2N)cc1 ZINC001193886120 1035751751 /nfs/dbraw/zinc/75/17/51/1035751751.db2.gz ZBLYSLNTTODACF-GFCCVEGCSA-N -1 1 304.415 3.583 20 0 DHADMM CC[C@H](C)c1ccccc1[N-]S(=O)(=O)c1ccccc1N ZINC001193885980 1035752312 /nfs/dbraw/zinc/75/23/12/1035752312.db2.gz KSRUMXLHZBIAKR-LBPRGKRZSA-N -1 1 304.415 3.583 20 0 DHADMM CC(C)CCOC(=O)Nc1cccc([O-])c1Br ZINC001194881704 1036059212 /nfs/dbraw/zinc/05/92/12/1036059212.db2.gz CQGGWQFGERVICD-UHFFFAOYSA-N -1 1 302.168 3.749 20 0 DHADMM Cc1ccnc2c([N-]S(=O)(=O)CC[Si](C)(C)C)cccc12 ZINC001195073597 1036125753 /nfs/dbraw/zinc/12/57/53/1036125753.db2.gz HIGGUXUGGDJZFI-UHFFFAOYSA-N -1 1 322.506 3.623 20 0 DHADMM CCCCC[C@](C)(CC)C(=O)Nc1nc(C(=O)OCC)c[n-]1 ZINC001272342433 1036141926 /nfs/dbraw/zinc/14/19/26/1036141926.db2.gz RDWIBRCDDWRCQO-INIZCTEOSA-N -1 1 309.410 3.522 20 0 DHADMM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC001195268646 1036199512 /nfs/dbraw/zinc/19/95/12/1036199512.db2.gz XEGFBYYWIIPBJF-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM CC(C)(C)c1ccc(CNC(=O)c2cc([O-])cnc2Cl)cc1 ZINC001195305206 1036214704 /nfs/dbraw/zinc/21/47/04/1036214704.db2.gz BTOXIJJRILYSGI-UHFFFAOYSA-N -1 1 318.804 3.668 20 0 DHADMM O=C(Nc1ccc2cc(F)ccc2c1)c1cc([O-])cnc1Cl ZINC001195306682 1036216048 /nfs/dbraw/zinc/21/60/48/1036216048.db2.gz WTEFWZUWESELDF-UHFFFAOYSA-N -1 1 316.719 3.985 20 0 DHADMM CCOC(=O)[N-]C(=S)N=c1s[nH]c(-c2ccccc2)c1C ZINC001195458307 1036250709 /nfs/dbraw/zinc/25/07/09/1036250709.db2.gz RAYMPUCXFHJYRK-UHFFFAOYSA-N -1 1 321.427 3.561 20 0 DHADMM Cc1cnc(C(=O)N2CCC[C@H]2c2ccc(C)c(C)c2)c([O-])c1 ZINC000495111091 1036260502 /nfs/dbraw/zinc/26/05/02/1036260502.db2.gz KRZOIWNHKXDQMY-INIZCTEOSA-N -1 1 310.397 3.690 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1ccc(-c2cccc(O)c2)cc1 ZINC001195494618 1036273592 /nfs/dbraw/zinc/27/35/92/1036273592.db2.gz NFGIUEIPPLFAJX-UHFFFAOYSA-N -1 1 316.382 3.502 20 0 DHADMM Cc1ccc(F)cc1NC(=S)Nc1cc(F)c([O-])cc1F ZINC001195913993 1036387218 /nfs/dbraw/zinc/38/72/18/1036387218.db2.gz HFAQMCSCHYUSGT-UHFFFAOYSA-N -1 1 312.316 3.927 20 0 DHADMM Cc1ccc2c(Cc3noc(-c4cc(F)ccc4[O-])n3)c[nH]c2c1 ZINC000761900226 1036391166 /nfs/dbraw/zinc/39/11/66/1036391166.db2.gz LLMPEIVMQVHOSF-UHFFFAOYSA-N -1 1 323.327 3.962 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000908712715 1036490497 /nfs/dbraw/zinc/49/04/97/1036490497.db2.gz KIHFZWCYKBMYDK-GDGBQDQQSA-N -1 1 310.191 3.529 20 0 DHADMM CC(C)(C(=O)Nc1cccc([O-])c1Br)C(C)(F)F ZINC000908706872 1036486060 /nfs/dbraw/zinc/48/60/60/1036486060.db2.gz FNWVDXDABZAPGE-UHFFFAOYSA-N -1 1 322.149 3.775 20 0 DHADMM C[C@H]1CC/C(=C/C(=O)Nc2cccc([O-])c2Br)C1 ZINC000908709284 1036489192 /nfs/dbraw/zinc/48/91/92/1036489192.db2.gz MXPZYFBWBZMWDQ-CUQRQBARSA-N -1 1 310.191 3.840 20 0 DHADMM CS[C@H](C)CCC(=O)Nc1cccc([O-])c1Br ZINC000908710882 1036489538 /nfs/dbraw/zinc/48/95/38/1036489538.db2.gz VWUBHKMKRVHCTA-MRVPVSSYSA-N -1 1 318.236 3.625 20 0 DHADMM C[C@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1[O-] ZINC001183054268 1036513824 /nfs/dbraw/zinc/51/38/24/1036513824.db2.gz JFRNBDLGNZXAOX-VIFPVBQESA-N -1 1 309.337 3.790 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C)c2F)c(F)c1 ZINC001196382213 1036517330 /nfs/dbraw/zinc/51/73/30/1036517330.db2.gz FWWVIXNXSSZDGN-UHFFFAOYSA-N -1 1 315.316 3.522 20 0 DHADMM C[C@H](CCC(=O)Nc1nc(Cl)ccc1[O-])c1ccccc1 ZINC001183217538 1036543502 /nfs/dbraw/zinc/54/35/02/1036543502.db2.gz DZISYAKIDLTKRA-LLVKDONJSA-N -1 1 304.777 3.963 20 0 DHADMM CC(=O)c1ccc(NC(=S)Nc2cc([O-])c(F)cc2F)cc1 ZINC001196556159 1036567892 /nfs/dbraw/zinc/56/78/92/1036567892.db2.gz LWUJIBUFKZCCKO-UHFFFAOYSA-N -1 1 322.336 3.682 20 0 DHADMM CCCc1cc(=O)[n-]c(SC[C@@H](O)c2ccc(Cl)cc2)n1 ZINC000774611934 1036568866 /nfs/dbraw/zinc/56/88/66/1036568866.db2.gz VHGXVMFXSNEHGC-CYBMUJFWSA-N -1 1 324.833 3.614 20 0 DHADMM CC(C)(C)c1ccccc1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000913741565 1036652505 /nfs/dbraw/zinc/65/25/05/1036652505.db2.gz USFYODKSJOHBHN-UHFFFAOYSA-N -1 1 311.385 3.609 20 0 DHADMM CCC(=O)c1cc(C(=O)Nc2cccc([O-])c2F)ccc1F ZINC000762319243 1036702500 /nfs/dbraw/zinc/70/25/00/1036702500.db2.gz UBGHXUKLAHEGSL-UHFFFAOYSA-N -1 1 305.280 3.515 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000909986977 1036730746 /nfs/dbraw/zinc/73/07/46/1036730746.db2.gz FRRCCXAAYZNFRE-RNFRBKRXSA-N -1 1 309.234 3.588 20 0 DHADMM CC(C)C(=O)Nc1ccc(Nc2ccnc(Cl)c2[O-])cc1 ZINC001197678295 1036843445 /nfs/dbraw/zinc/84/34/45/1036843445.db2.gz BWVSDFBZXNTVKD-UHFFFAOYSA-N -1 1 305.765 3.779 20 0 DHADMM CCc1ccccc1S(=O)(=O)[N-]c1ccc2scnc2c1 ZINC000488216028 1036901158 /nfs/dbraw/zinc/90/11/58/1036901158.db2.gz HIFFSKYWXRWRBI-UHFFFAOYSA-N -1 1 318.423 3.660 20 0 DHADMM Cc1ccc(C)c(C(=O)Nc2cccc(C(F)(F)F)c2[O-])n1 ZINC001184607495 1036905774 /nfs/dbraw/zinc/90/57/74/1036905774.db2.gz DOFHWMMTZOTYCC-UHFFFAOYSA-N -1 1 310.275 3.675 20 0 DHADMM Cc1cc(C(=O)Nc2cc(F)cc(F)c2[O-])c(C)n1C(C)C ZINC000910979917 1037018469 /nfs/dbraw/zinc/01/84/69/1037018469.db2.gz OGRZYMUYZIHMRH-UHFFFAOYSA-N -1 1 308.328 3.922 20 0 DHADMM FC(F)(F)c1nc(=NC[C@@H]2CCCCC(F)(F)C2)s[n-]1 ZINC000488431220 1037018724 /nfs/dbraw/zinc/01/87/24/1037018724.db2.gz HIXJUVWEDVGUEI-SSDOTTSWSA-N -1 1 315.311 3.606 20 0 DHADMM CCCc1cc(=O)[n-]c(S[C@@H](CC)C(=O)c2ccccc2)n1 ZINC000315671922 1037050478 /nfs/dbraw/zinc/05/04/78/1037050478.db2.gz QDEODMWRTRRJEY-AWEZNQCLSA-N -1 1 316.426 3.888 20 0 DHADMM O=S(=O)([N-]c1ccc2c(c1)CCC2)c1ccc2occc2c1 ZINC001198817084 1037138198 /nfs/dbraw/zinc/13/81/98/1037138198.db2.gz VPITWQZJDRQGGV-UHFFFAOYSA-N -1 1 313.378 3.722 20 0 DHADMM O=S(=O)([N-]c1ccc2cnccc2c1)c1ccc2occc2c1 ZINC001198817102 1037139616 /nfs/dbraw/zinc/13/96/16/1037139616.db2.gz WJYJVSWHJOQSIL-UHFFFAOYSA-N -1 1 324.361 3.782 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2ccc3ncoc3c2)ccc1Cl ZINC001185485250 1037156842 /nfs/dbraw/zinc/15/68/42/1037156842.db2.gz QJEYJWJGMAUNGR-UHFFFAOYSA-N -1 1 322.773 3.590 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2ccc3oncc3c2)ccc1Cl ZINC001185530308 1037169693 /nfs/dbraw/zinc/16/96/93/1037169693.db2.gz YHMCDNAHPNMNME-UHFFFAOYSA-N -1 1 322.773 3.590 20 0 DHADMM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1c([O-])cccc1Cl ZINC000775942946 1037217809 /nfs/dbraw/zinc/21/78/09/1037217809.db2.gz OAZQXHLDMPXAJE-DTWKUNHWSA-N -1 1 321.726 3.849 20 0 DHADMM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1c([O-])cccc1Cl ZINC000775942945 1037223352 /nfs/dbraw/zinc/22/33/52/1037223352.db2.gz OAZQXHLDMPXAJE-BDAKNGLRSA-N -1 1 321.726 3.849 20 0 DHADMM O=c1ccn(-c2ccc(NCc3cncc4ccccc43)cc2)[n-]1 ZINC001203321579 1037264433 /nfs/dbraw/zinc/26/44/33/1037264433.db2.gz ZLLSRGDMXHRIDI-UHFFFAOYSA-N -1 1 316.364 3.738 20 0 DHADMM Cc1cc(O)ccc1C(=O)Nc1cccc(C(F)(F)F)c1[O-] ZINC001186190978 1037332647 /nfs/dbraw/zinc/33/26/47/1037332647.db2.gz DGQJWUIBTQBIPI-UHFFFAOYSA-N -1 1 311.259 3.677 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H]1c1cc2ccccc2[nH]1 ZINC001186327480 1037359825 /nfs/dbraw/zinc/35/98/25/1037359825.db2.gz OXAOUPKWGHOREV-GOSISDBHSA-N -1 1 324.355 3.990 20 0 DHADMM Cc1cc(NC(=O)c2ccc([O-])cc2F)cc2scnc21 ZINC001186329687 1037376923 /nfs/dbraw/zinc/37/69/23/1037376923.db2.gz UNDWQWATENDZAU-UHFFFAOYSA-N -1 1 302.330 3.702 20 0 DHADMM Cc1cc(Cl)c(C(=O)Nc2nc(Cl)ccc2[O-])cc1C ZINC000763198363 1037451384 /nfs/dbraw/zinc/45/13/84/1037451384.db2.gz UWBZKDFMZHUNBI-UHFFFAOYSA-N -1 1 311.168 3.963 20 0 DHADMM CCCCOc1c(Cl)cc([N-]c2nonc2N)cc1Cl ZINC001187417687 1037632288 /nfs/dbraw/zinc/63/22/88/1037632288.db2.gz XSHGCZYFYOTMBI-UHFFFAOYSA-N -1 1 317.176 3.881 20 0 DHADMM Cc1c(Nc2cc([O-])c(F)c(F)c2)cnn1-c1ccccc1 ZINC001201377482 1037641422 /nfs/dbraw/zinc/64/14/22/1037641422.db2.gz SOPJAOZZBLUMCN-UHFFFAOYSA-N -1 1 301.296 3.908 20 0 DHADMM CCc1ccccc1NC(=O)Nc1cc2ccc([O-])cc2oc1=O ZINC001187612053 1037671859 /nfs/dbraw/zinc/67/18/59/1037671859.db2.gz ZXPANZHWMSJSQN-UHFFFAOYSA-N -1 1 324.336 3.705 20 0 DHADMM CCc1ccccc1NC(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001187613325 1037672097 /nfs/dbraw/zinc/67/20/97/1037672097.db2.gz WLMTVOOVMOGQDQ-UHFFFAOYSA-N -1 1 322.368 3.784 20 0 DHADMM CCOc1ncc(Cl)cc1Nc1c([O-])cc(F)cc1F ZINC001201510704 1037730475 /nfs/dbraw/zinc/73/04/75/1037730475.db2.gz ATJRIURSTRZPBQ-UHFFFAOYSA-N -1 1 300.692 3.861 20 0 DHADMM COc1ccc(Cl)cc1NC(=O)Nc1c([O-])cccc1F ZINC001187925560 1037754650 /nfs/dbraw/zinc/75/46/50/1037754650.db2.gz NTURTAZNTGWBEB-UHFFFAOYSA-N -1 1 310.712 3.837 20 0 DHADMM CC1(C)CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001188034309 1037796604 /nfs/dbraw/zinc/79/66/04/1037796604.db2.gz KGENVYMJGZKFCD-CYBMUJFWSA-N -1 1 319.829 3.726 20 0 DHADMM COCCOc1cc(C)ccc1NCc1cccc([O-])c1Cl ZINC000328458655 1037821727 /nfs/dbraw/zinc/82/17/27/1037821727.db2.gz IYDXAQGYUROWNP-UHFFFAOYSA-N -1 1 321.804 3.991 20 0 DHADMM CC(C)NC(=O)c1ccc(NCc2cccc([O-])c2Cl)cc1 ZINC000328486634 1037825916 /nfs/dbraw/zinc/82/59/16/1037825916.db2.gz RFYOQCFLOLRLFE-UHFFFAOYSA-N -1 1 318.804 3.796 20 0 DHADMM CCCc1cc(=O)[n-]c(SCCO[C@H]2CCCC[C@@H]2C)n1 ZINC001188163204 1037831436 /nfs/dbraw/zinc/83/14/36/1037831436.db2.gz PPLHYHARKLMYHD-JSGCOSHPSA-N -1 1 310.463 3.822 20 0 DHADMM CCCc1cc(=O)[n-]c(SC[C@@H]2CCC3(CCCC3)O2)n1 ZINC001188162834 1037831707 /nfs/dbraw/zinc/83/17/07/1037831707.db2.gz MBKXJVDIZMVOTG-ZDUSSCGKSA-N -1 1 308.447 3.719 20 0 DHADMM CCc1cccc(CC)c1NC(=O)c1ncc(C(F)(F)F)[n-]1 ZINC001188288805 1037857264 /nfs/dbraw/zinc/85/72/64/1037857264.db2.gz MPCFGSOWJWGNHJ-UHFFFAOYSA-N -1 1 311.307 3.806 20 0 DHADMM CCc1cccc(CC)c1NC(=O)c1nc(C(F)(F)F)c[n-]1 ZINC001188288805 1037857271 /nfs/dbraw/zinc/85/72/71/1037857271.db2.gz MPCFGSOWJWGNHJ-UHFFFAOYSA-N -1 1 311.307 3.806 20 0 DHADMM [O-]c1c(Br)c(F)ccc1Nc1cnn(C(F)F)c1 ZINC001201745149 1037870662 /nfs/dbraw/zinc/87/06/62/1037870662.db2.gz WPJQHIQLZSDRAY-UHFFFAOYSA-N -1 1 322.084 3.629 20 0 DHADMM Cc1noc(-c2ccccc2)c1NC(=O)c1cc(F)ccc1[O-] ZINC000123896223 1037873548 /nfs/dbraw/zinc/87/35/48/1037873548.db2.gz UZPDFXMHTLEDHD-UHFFFAOYSA-N -1 1 312.300 3.747 20 0 DHADMM O=S(=O)([N-]c1ccc(Cl)c(Cl)c1F)c1ccoc1 ZINC001188610176 1037930985 /nfs/dbraw/zinc/93/09/85/1037930985.db2.gz ITLVXMDFAKMRNX-UHFFFAOYSA-N -1 1 310.133 3.526 20 0 DHADMM COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000187052101 1037943625 /nfs/dbraw/zinc/94/36/25/1037943625.db2.gz OHPYBTKNUUWZQK-UHFFFAOYSA-N -1 1 323.389 3.759 20 0 DHADMM CCc1ccccc1S(=O)(=O)[N-]c1cccc(C(F)F)c1 ZINC000187392746 1037964114 /nfs/dbraw/zinc/96/41/14/1037964114.db2.gz XCNHTPYYIFQSRJ-UHFFFAOYSA-N -1 1 311.353 3.987 20 0 DHADMM COc1ccc([C@@H](C)CSc2nc(C)c(C)c(=O)[n-]2)cc1 ZINC001189061187 1038061454 /nfs/dbraw/zinc/06/14/54/1038061454.db2.gz KOLVUVNSFQCESJ-JTQLQIEISA-N -1 1 304.415 3.703 20 0 DHADMM CC(C)=CC[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC001189192869 1038084429 /nfs/dbraw/zinc/08/44/29/1038084429.db2.gz TXWUYLDYNBIGCS-UHFFFAOYSA-N -1 1 315.847 3.799 20 0 DHADMM CCOc1ccccc1NC(=O)Nc1cc(F)cc(F)c1[O-] ZINC001202151677 1038092639 /nfs/dbraw/zinc/09/26/39/1038092639.db2.gz XBCOKVSXTPNGCZ-UHFFFAOYSA-N -1 1 308.284 3.713 20 0 DHADMM C[C@@H]1CCC[C@@H](C)C1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001190126539 1038271519 /nfs/dbraw/zinc/27/15/19/1038271519.db2.gz DJBUUUVKWUIJOO-NXEZZACHSA-N -1 1 319.829 3.582 20 0 DHADMM Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(C)c2Cl)c1 ZINC000571970030 1038284077 /nfs/dbraw/zinc/28/40/77/1038284077.db2.gz UWXZMSLQCGXZKC-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1F)C1CCCC1 ZINC001190275079 1038288329 /nfs/dbraw/zinc/28/83/29/1038288329.db2.gz VVHYVOKXJBFWAD-ZDUSSCGKSA-N -1 1 319.829 3.726 20 0 DHADMM CCOc1cccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1 ZINC001190499753 1038327718 /nfs/dbraw/zinc/32/77/18/1038327718.db2.gz GTSATZYRWXKMJP-UHFFFAOYSA-N -1 1 317.410 3.764 20 0 DHADMM O=C([N-]c1noc2cnccc12)c1nc(-c2ccccc2)cs1 ZINC001191040202 1038421388 /nfs/dbraw/zinc/42/13/88/1038421388.db2.gz UNCXRHMCPXWQRG-UHFFFAOYSA-N -1 1 322.349 3.599 20 0 DHADMM CCCCc1ccc(S(=O)(=O)[N-]c2cccc(O)c2C)cc1 ZINC001191249199 1038476906 /nfs/dbraw/zinc/47/69/06/1038476906.db2.gz QBDDIHGSASZMPT-UHFFFAOYSA-N -1 1 319.426 3.844 20 0 DHADMM CCCCn1nc(C)c(C=C2SC(=S)[N-]C2=O)c1Cl ZINC000056688031 1038482028 /nfs/dbraw/zinc/48/20/28/1038482028.db2.gz HFEYVJRJRDJHDM-RMKNXTFCSA-N -1 1 315.851 3.974 20 0 DHADMM COc1ccc(C=C2SC(=S)[N-]C2=O)cc1OC(F)F ZINC000056696592 1038486378 /nfs/dbraw/zinc/48/63/78/1038486378.db2.gz KWKVTLHHIKWAEQ-WEVVVXLNSA-N -1 1 317.338 3.626 20 0 DHADMM O=S(=O)(CC1CCCC1)[N-]c1ccc(-c2ccccc2)cn1 ZINC001191481167 1038507272 /nfs/dbraw/zinc/50/72/72/1038507272.db2.gz IUJPBJGBJTUMJX-UHFFFAOYSA-N -1 1 316.426 3.681 20 0 DHADMM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cccc(C)c1F ZINC001191820809 1038555277 /nfs/dbraw/zinc/55/52/77/1038555277.db2.gz GZSZTSREIXYVEX-UHFFFAOYSA-N -1 1 323.389 3.642 20 0 DHADMM CC(C)C[C@H](NCc1cccc([O-])c1Cl)C(=O)OC(C)C ZINC000590184507 1038600966 /nfs/dbraw/zinc/60/09/66/1038600966.db2.gz GOZGIBIICLDENZ-ZDUSSCGKSA-N -1 1 313.825 3.502 20 0 DHADMM O=C(N[C@@H](c1ccccc1F)C1CC1)c1c(F)ccc([O-])c1F ZINC001192552834 1038672166 /nfs/dbraw/zinc/67/21/66/1038672166.db2.gz UCSZACREYLATFC-MRXNPFEDSA-N -1 1 321.298 3.691 20 0 DHADMM O=C(Nc1ccc(C2CCC2)nc1)c1c(F)ccc([O-])c1F ZINC001192525885 1038675748 /nfs/dbraw/zinc/67/57/48/1038675748.db2.gz BQERGQSDAXVQJG-UHFFFAOYSA-N -1 1 304.296 3.585 20 0 DHADMM C[C@@H]1C[C@@H](NC(=O)c2cc([O-])cc(F)c2F)c2ccccc21 ZINC001192679358 1038689812 /nfs/dbraw/zinc/68/98/12/1038689812.db2.gz SJKFIQTYYPKMQB-RFAUZJTJSA-N -1 1 303.308 3.649 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1ccc(OC(F)(F)F)cc1 ZINC000605438451 1039681523 /nfs/dbraw/zinc/68/15/23/1039681523.db2.gz TYZFRMRYDOVFCO-UHFFFAOYSA-N -1 1 315.222 3.682 20 0 DHADMM CCc1cccc(CC)c1S(=O)(=O)[N-]c1cccc(OC)c1 ZINC000605492908 1039705267 /nfs/dbraw/zinc/70/52/67/1039705267.db2.gz BGNJPUIMEJCALQ-UHFFFAOYSA-N -1 1 319.426 3.621 20 0 DHADMM CC1(C)CN(Cc2cccc([O-])c2Cl)C[C@@H](C(F)(F)F)O1 ZINC000646207255 1039898432 /nfs/dbraw/zinc/89/84/32/1039898432.db2.gz CLVMEZQMFYYFDE-NSHDSACASA-N -1 1 323.742 3.587 20 0 DHADMM COc1cc(C(=O)N[C@H](C)CCC=C(C)C)cc(Cl)c1[O-] ZINC000456059468 1040696224 /nfs/dbraw/zinc/69/62/24/1040696224.db2.gz KXNDXDIXQBEICA-LLVKDONJSA-N -1 1 311.809 3.919 20 0 DHADMM CC(C)n1cc([C@H](C)NC(=O)c2ccc3ccccc3c2[O-])cn1 ZINC000534270404 1040783095 /nfs/dbraw/zinc/78/30/95/1040783095.db2.gz RZQSTARWQHVQHN-ZDUSSCGKSA-N -1 1 323.396 3.814 20 0 DHADMM CSCCc1ccccc1[N-]S(=O)(=O)c1ccccc1C ZINC000601979314 1040841130 /nfs/dbraw/zinc/84/11/30/1040841130.db2.gz JTBNTXLJSAGBAX-UHFFFAOYSA-N -1 1 321.467 3.701 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)c1coc(C2CCCC2)n1 ZINC000456783850 1040915637 /nfs/dbraw/zinc/91/56/37/1040915637.db2.gz LOVUWCNYHITCHA-UHFFFAOYSA-N -1 1 308.284 3.568 20 0 DHADMM CCCc1csc(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])n1 ZINC000417571119 334993843 /nfs/dbraw/zinc/99/38/43/334993843.db2.gz WWGJJBQMFXXRQU-WBMJQRKESA-N -1 1 318.442 3.647 20 0 DHADMM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc2c(c1)CCC2 ZINC000007402274 181462265 /nfs/dbraw/zinc/46/22/65/181462265.db2.gz UOEAKFDVCJDDCW-UHFFFAOYSA-N -1 1 307.802 3.630 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C)c(Cl)c1 ZINC000022513944 182324367 /nfs/dbraw/zinc/32/43/67/182324367.db2.gz SKEVHBKDFQQMRI-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H]1[C@H]1CCCC1=O ZINC000272179771 130005508 /nfs/dbraw/zinc/00/55/08/130005508.db2.gz LHGXKEHEGRQFNH-WBVHZDCISA-N -1 1 323.392 3.519 20 0 DHADMM CCOc1cc(C(=O)N2[C@@H](C)CC[C@@H]2CC)cc(Cl)c1[O-] ZINC000273822268 130171750 /nfs/dbraw/zinc/17/17/50/130171750.db2.gz FWZSZXHYBZKXJY-JQWIXIFHSA-N -1 1 311.809 3.847 20 0 DHADMM CCOc1cc(C(=O)N(CC)C2CCCC2)cc(Cl)c1[O-] ZINC000273961854 130191760 /nfs/dbraw/zinc/19/17/60/130191760.db2.gz OYNZXGYIRRRVON-UHFFFAOYSA-N -1 1 311.809 3.849 20 0 DHADMM CC[C@H]1OCCC[C@@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000289063609 131355310 /nfs/dbraw/zinc/35/53/10/131355310.db2.gz LTRHLHNRVKGDAJ-WCQYABFASA-N -1 1 308.765 3.768 20 0 DHADMM Cc1noc(C)c1C(C)(C)c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000289165444 131363083 /nfs/dbraw/zinc/36/30/83/131363083.db2.gz UZNDOMICFLORSI-UHFFFAOYSA-N -1 1 317.320 3.512 20 0 DHADMM CC[C@@H](c1ccc(F)cc1F)S(=O)(=O)c1ccc([O-])cc1 ZINC000163962600 132128267 /nfs/dbraw/zinc/12/82/67/132128267.db2.gz VPWJSYDBYMPDJU-HNNXBMFYSA-N -1 1 312.337 3.595 20 0 DHADMM CC[C@H](c1ccc(F)cc1F)S(=O)(=O)c1ccc([O-])cc1 ZINC000163962703 132128488 /nfs/dbraw/zinc/12/84/88/132128488.db2.gz VPWJSYDBYMPDJU-OAHLLOKOSA-N -1 1 312.337 3.595 20 0 DHADMM O=C([N-]c1nnc(C(F)(F)F)s1)c1cc2occc2s1 ZINC000605451562 435339261 /nfs/dbraw/zinc/33/92/61/435339261.db2.gz LIZNZQAGBPHIJK-UHFFFAOYSA-N -1 1 319.289 3.617 20 0 DHADMM O=C(c1c(F)ccc([O-])c1F)N1CCc2c1cccc2Cl ZINC000570591583 332777289 /nfs/dbraw/zinc/77/72/89/332777289.db2.gz LWPCSVFRWVRXBN-UHFFFAOYSA-N -1 1 309.699 3.527 20 0 DHADMM O=C(c1ccc(Br)cc1[O-])N1CCC[C@H]2CCC[C@H]21 ZINC000087777680 331795897 /nfs/dbraw/zinc/79/58/97/331795897.db2.gz WTZYQWDRGSTSRE-ZWNOBZJWSA-N -1 1 324.218 3.559 20 0 DHADMM CCc1ccc([C@@H](NCc2ccc(Cl)cc2F)C(=O)[O-])cc1 ZINC000426798220 332154775 /nfs/dbraw/zinc/15/47/75/332154775.db2.gz ISWXUWAQEADYOV-MRXNPFEDSA-N -1 1 321.779 3.957 20 0 DHADMM CCC[C@H](C)C[C@H](NCc1cc2cc(OC)ccc2o1)C(=O)[O-] ZINC000426821070 332157732 /nfs/dbraw/zinc/15/77/32/332157732.db2.gz PPHQOQLJDLOLSQ-LRDDRELGSA-N -1 1 319.401 3.811 20 0 DHADMM O=S(=O)([N-][C@@H]1CC[C@H]2CCC[C@@H]2C1)c1cc2ccccc2o1 ZINC000531010377 332208609 /nfs/dbraw/zinc/20/86/09/332208609.db2.gz ZIPXRXAPEGNGTG-UMVBOHGHSA-N -1 1 319.426 3.680 20 0 DHADMM Cc1ccccc1OCCC[N@H+](C)Cc1csc(C(=O)[O-])c1 ZINC000566357922 332374636 /nfs/dbraw/zinc/37/46/36/332374636.db2.gz PCWRTMGLXBBKBU-UHFFFAOYSA-N -1 1 319.426 3.656 20 0 DHADMM O=C(c1ncccc1[O-])N1CCCC[C@H]1CCCc1ccccc1 ZINC000427640893 332473812 /nfs/dbraw/zinc/47/38/12/332473812.db2.gz ZGEJGWJBSODKBD-KRWDZBQOSA-N -1 1 324.424 3.805 20 0 DHADMM CC(C)c1ccc([C@@H]2CCCN2C(=O)c2ncccc2[O-])cc1 ZINC000427652252 332476582 /nfs/dbraw/zinc/47/65/82/332476582.db2.gz CZGJHXFHZHZTOX-INIZCTEOSA-N -1 1 310.397 3.888 20 0 DHADMM O=C(NCc1nc(C2CC2)cs1)c1ccc2ccccc2c1[O-] ZINC000151020236 332480314 /nfs/dbraw/zinc/48/03/14/332480314.db2.gz DVXDYZMHOYXKFS-UHFFFAOYSA-N -1 1 324.405 3.809 20 0 DHADMM Cc1cccc(F)c1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000186983540 332954003 /nfs/dbraw/zinc/95/40/03/332954003.db2.gz ZGDIQUHKBJUPGN-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000180629008 333029092 /nfs/dbraw/zinc/02/90/92/333029092.db2.gz WCSNLUZLNWSCRD-NXEZZACHSA-N -1 1 301.308 3.672 20 0 DHADMM C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000180590072 333029147 /nfs/dbraw/zinc/02/91/47/333029147.db2.gz CHIUNTAGPNTRBQ-VHSXEESVSA-N -1 1 301.308 3.672 20 0 DHADMM CCCCOc1cccc(CNC(=O)c2ccc([O-])cc2F)c1 ZINC000181145881 333029186 /nfs/dbraw/zinc/02/91/86/333029186.db2.gz WKZXXBSUCCGLHB-UHFFFAOYSA-N -1 1 317.360 3.640 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC[C@H]2CCC[C@H]21 ZINC000180600139 333029211 /nfs/dbraw/zinc/02/92/11/333029211.db2.gz CJBAWDCWDJITNB-ZWNOBZJWSA-N -1 1 313.319 3.816 20 0 DHADMM Cc1cccc(C(C)(C)CNC(=O)c2ccc([O-])cc2F)c1 ZINC000181190381 333029703 /nfs/dbraw/zinc/02/97/03/333029703.db2.gz HKMAUCMFYDLJPJ-UHFFFAOYSA-N -1 1 301.361 3.547 20 0 DHADMM CC(C)c1nc(CSc2nc(C3CC3)cc(=O)[n-]2)cs1 ZINC000188145294 333160318 /nfs/dbraw/zinc/16/03/18/333160318.db2.gz XHHKGHUJHRPUDK-UHFFFAOYSA-N -1 1 307.444 3.932 20 0 DHADMM COc1ccc(-c2nc(-c3cc(C)cc(F)c3)no2)c([O-])c1 ZINC000388231593 333229887 /nfs/dbraw/zinc/22/98/87/333229887.db2.gz YFVYBSMXMGFBSS-UHFFFAOYSA-N -1 1 300.289 3.565 20 0 DHADMM CCc1ccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)cc1C ZINC000319168134 333267446 /nfs/dbraw/zinc/26/74/46/333267446.db2.gz LLYPWUCOCZNMPN-UHFFFAOYSA-N -1 1 317.410 3.561 20 0 DHADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@H]2CCC[C@@H]21 ZINC000120523009 333289781 /nfs/dbraw/zinc/28/97/81/333289781.db2.gz GTFJNHIERRBGND-MFKMUULPSA-N -1 1 324.218 3.559 20 0 DHADMM Cc1ccc(-c2nc(C(=O)[N-]c3c(C)noc3C)cs2)o1 ZINC000338175208 333474448 /nfs/dbraw/zinc/47/44/48/333474448.db2.gz LUQRZDAURLHBMU-UHFFFAOYSA-N -1 1 303.343 3.569 20 0 DHADMM CC[C@@H](C)N(CC(=O)[O-])Cc1cnc(-c2cccs2)s1 ZINC000414677301 334066711 /nfs/dbraw/zinc/06/67/11/334066711.db2.gz IGNDYOQTBIXIIX-SNVBAGLBSA-N -1 1 310.444 3.557 20 0 DHADMM CC[C@@H](C)N(CC(=O)[O-])Cc1cnc(-c2ccc(C)cc2)s1 ZINC000414686778 334069160 /nfs/dbraw/zinc/06/91/60/334069160.db2.gz VZQQMFROLMHVGV-CYBMUJFWSA-N -1 1 318.442 3.804 20 0 DHADMM CC[C@@H](C)N(CC(=O)[O-])Cc1ccc(-c2ccc(F)cc2)o1 ZINC000414687904 334069598 /nfs/dbraw/zinc/06/95/98/334069598.db2.gz XYKMUYSXXAOJJW-GFCCVEGCSA-N -1 1 305.349 3.771 20 0 DHADMM Cc1csc(CCCCNC(=O)c2cc(Cl)ccc2[O-])n1 ZINC000110620189 334290336 /nfs/dbraw/zinc/29/03/36/334290336.db2.gz QKQHNHPZDQAVHO-UHFFFAOYSA-N -1 1 324.833 3.563 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1F ZINC000048652987 334291016 /nfs/dbraw/zinc/29/10/16/334291016.db2.gz PVDKFEORMPSGDF-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM CC(C)n1cc([C@@H](C)NC(=O)c2cc3ccccc3cc2[O-])cn1 ZINC000535006038 334354868 /nfs/dbraw/zinc/35/48/68/334354868.db2.gz KHYJAOYALFNAKL-CYBMUJFWSA-N -1 1 323.396 3.814 20 0 DHADMM Cc1cc(C)cc(CS(=O)(=O)[N-]c2cccc(C3CC3)n2)c1 ZINC000563682197 334377846 /nfs/dbraw/zinc/37/78/46/334377846.db2.gz ZERJXWGPSGXUJQ-UHFFFAOYSA-N -1 1 316.426 3.518 20 0 DHADMM COc1cc(C(=O)NCC(C)(C)CC(C)C)cc(Cl)c1[O-] ZINC000443302332 338448574 /nfs/dbraw/zinc/44/85/74/338448574.db2.gz YOQBGFKQEJOHJS-UHFFFAOYSA-N -1 1 313.825 3.856 20 0 DHADMM CCc1cc(=O)[n-]c(SCCCOc2cccc(Cl)c2)n1 ZINC000188106976 334640659 /nfs/dbraw/zinc/64/06/59/334640659.db2.gz PVUABJQRLRJWNZ-UHFFFAOYSA-N -1 1 324.833 3.547 20 0 DHADMM C[C@@H]1[C@H](C)CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@H]1C ZINC000416327521 334660746 /nfs/dbraw/zinc/66/07/46/334660746.db2.gz XXGRKCKSKHHJDE-BBBLOLIVSA-N -1 1 301.308 3.528 20 0 DHADMM CC1(C)CCc2nc(NC(=O)c3ccc([O-])cc3F)sc2C1 ZINC000416358210 334665804 /nfs/dbraw/zinc/66/58/04/334665804.db2.gz JKGIYZGSAOHBLG-UHFFFAOYSA-N -1 1 320.389 3.755 20 0 DHADMM O=c1nc(COC2CCCC2)[n-]c2sc(C(F)(F)F)cc21 ZINC000416410630 334666942 /nfs/dbraw/zinc/66/69/42/334666942.db2.gz GNXVUVKUEPUNSA-UHFFFAOYSA-N -1 1 318.320 3.875 20 0 DHADMM CCc1ccc(C(=O)N(C)c2ccc(OC)c(Cl)c2)c([O-])c1 ZINC000188329095 334686387 /nfs/dbraw/zinc/68/63/87/334686387.db2.gz GQSYYVPBUANVBW-UHFFFAOYSA-N -1 1 319.788 3.893 20 0 DHADMM CC(C)(C)c1cccc2c1OCCN2C(=O)c1ccccc1[O-] ZINC000444478907 338473977 /nfs/dbraw/zinc/47/39/77/338473977.db2.gz JTWQBAYDHBLOOM-UHFFFAOYSA-N -1 1 311.381 3.729 20 0 DHADMM COc1cccc([C@@H](C)Sc2nc(C(F)F)cc(=O)[n-]2)c1 ZINC000518841529 335651939 /nfs/dbraw/zinc/65/19/39/335651939.db2.gz UUAHRJFZTFUPSN-MRVPVSSYSA-N -1 1 312.341 3.982 20 0 DHADMM COc1ncccc1-c1noc(-c2ccc3ccccc3c2[O-])n1 ZINC000326938579 335652860 /nfs/dbraw/zinc/65/28/60/335652860.db2.gz XAMJVNRYXHPBAI-UHFFFAOYSA-N -1 1 319.320 3.666 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cc4cc(F)ccc4[nH]3)n2)cc1F ZINC000445476244 338496008 /nfs/dbraw/zinc/49/60/08/338496008.db2.gz AEPJLBSRYRMTKF-UHFFFAOYSA-N -1 1 313.263 3.869 20 0 DHADMM O=C(Nc1scnc1-c1ccccc1)c1cc(F)ccc1[O-] ZINC000094103701 335716086 /nfs/dbraw/zinc/71/60/86/335716086.db2.gz ZIGZDXGQDFEZTI-UHFFFAOYSA-N -1 1 314.341 3.907 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N(CCc1cccc(F)c1)C1CC1 ZINC000094149291 335721364 /nfs/dbraw/zinc/72/13/64/335721364.db2.gz BDALWPWCKQKQRG-UHFFFAOYSA-N -1 1 317.335 3.518 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3ccc(F)cc3Cl)n2)cc1F ZINC000445479627 338496367 /nfs/dbraw/zinc/49/63/67/338496367.db2.gz WQVQZLRWSLOVJF-UHFFFAOYSA-N -1 1 322.698 3.965 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(Br)s1 ZINC000532267172 335927685 /nfs/dbraw/zinc/92/76/85/335927685.db2.gz NNAIFXYAUMMNNA-UHFFFAOYSA-N -1 1 316.151 3.608 20 0 DHADMM Cc1cnc(C(=O)N2CC[C@@](C)(CCc3ccccc3)C2)c([O-])c1 ZINC000330214587 336125159 /nfs/dbraw/zinc/12/51/59/336125159.db2.gz GHDFTDKRIIAHGN-HXUWFJFHSA-N -1 1 324.424 3.581 20 0 DHADMM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)c2ncc(C)cc2[O-])cc1 ZINC000331832004 336149857 /nfs/dbraw/zinc/14/98/57/336149857.db2.gz DZAWVUHABVLTGA-DLBZAZTESA-N -1 1 324.424 3.812 20 0 DHADMM CCSc1nnc([N-]C(=O)c2ccoc2C(F)(F)F)s1 ZINC000352155967 336197258 /nfs/dbraw/zinc/19/72/58/336197258.db2.gz XUAXQNUEPYPCNF-UHFFFAOYSA-N -1 1 323.321 3.514 20 0 DHADMM O=C(Cn1c2ccccc2nc1C(F)(F)F)c1ccc([O-])cc1 ZINC000532689944 336267651 /nfs/dbraw/zinc/26/76/51/336267651.db2.gz OCQIPDKKOIMRQU-UHFFFAOYSA-N -1 1 320.270 3.644 20 0 DHADMM Cc1nc(-c2ccc(NCCc3ccccc3)nc2)[n-]c(=O)c1C ZINC000301152866 336292268 /nfs/dbraw/zinc/29/22/68/336292268.db2.gz BICSEBCFAJIMJB-UHFFFAOYSA-N -1 1 320.396 3.516 20 0 DHADMM COC[C@@H]([N-]c1nc(-c2ccc(C)cc2)no1)c1ccccc1 ZINC000302045942 336345295 /nfs/dbraw/zinc/34/52/95/336345295.db2.gz NCWKSVLZINCOJS-MRXNPFEDSA-N -1 1 309.369 3.845 20 0 DHADMM COC(=O)c1c[n-]c(S[C@H]2CCc3c2cccc3Cl)n1 ZINC000193543749 337077908 /nfs/dbraw/zinc/07/79/08/337077908.db2.gz XGHSRCAHHJLHSX-LBPRGKRZSA-N -1 1 308.790 3.629 20 0 DHADMM Oc1cc(F)cc(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000186165207 337254099 /nfs/dbraw/zinc/25/40/99/337254099.db2.gz YWHCMECCGWLPEE-INIZCTEOSA-N -1 1 321.417 3.774 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)s1 ZINC000024070903 337257876 /nfs/dbraw/zinc/25/78/76/337257876.db2.gz RFBIWSCBEXGVRS-UHFFFAOYSA-N -1 1 305.783 3.650 20 0 DHADMM CCOc1cc(C(=O)N(C)[C@H](C)C2(C)CC2)cc(Cl)c1[O-] ZINC000186856925 337260803 /nfs/dbraw/zinc/26/08/03/337260803.db2.gz YUBKCTZFQXALQT-SNVBAGLBSA-N -1 1 311.809 3.705 20 0 DHADMM C[C@@H](C(=O)[O-])[C@@H](NCc1cccc(F)c1F)c1ccccc1 ZINC000583239527 337284103 /nfs/dbraw/zinc/28/41/03/337284103.db2.gz BOQQNTODZZAOQB-BDJLRTHQSA-N -1 1 305.324 3.516 20 0 DHADMM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)c1ccc([O-])cc1F ZINC000422065659 337668761 /nfs/dbraw/zinc/66/87/61/337668761.db2.gz LKOCAFMWVXRYPK-MRXNPFEDSA-N -1 1 313.372 3.940 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3c[nH]c4ccccc34)n2)cc1F ZINC000445477569 337726392 /nfs/dbraw/zinc/72/63/92/337726392.db2.gz CYMXLGOYGGXOHD-UHFFFAOYSA-N -1 1 309.300 3.653 20 0 DHADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc3ncccc23)c1 ZINC000119543168 337862805 /nfs/dbraw/zinc/86/28/05/337862805.db2.gz QEMABJZWABAIBS-UHFFFAOYSA-N -1 1 312.394 3.652 20 0 DHADMM CN(Cc1cccc(O)c1)C(=O)c1cc2ccccc2cc1[O-] ZINC000515963485 338001560 /nfs/dbraw/zinc/00/15/60/338001560.db2.gz HFEAODRGBVDZOQ-UHFFFAOYSA-N -1 1 307.349 3.523 20 0 DHADMM Cc1cc(C)n([C@H](C)c2nc(-c3ccc([O-])cc3Cl)no2)n1 ZINC000445450722 338015434 /nfs/dbraw/zinc/01/54/34/338015434.db2.gz VPLDDYHDJDXFAP-SNVBAGLBSA-N -1 1 318.764 3.518 20 0 DHADMM [O-]c1ccc(-c2noc(CSc3ccccc3)n2)c(F)c1 ZINC000445452618 338016636 /nfs/dbraw/zinc/01/66/36/338016636.db2.gz FAEXYFQPGOEJHM-UHFFFAOYSA-N -1 1 302.330 3.874 20 0 DHADMM COc1ccccc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445453270 338016853 /nfs/dbraw/zinc/01/68/53/338016853.db2.gz HKELFIOFLUUFBS-UHFFFAOYSA-N -1 1 302.717 3.771 20 0 DHADMM [O-]c1ccc(-c2noc(/C=C\c3cccc(F)c3)n2)c(F)c1 ZINC000445453320 338016881 /nfs/dbraw/zinc/01/68/81/338016881.db2.gz HUABKXWEDHSNDT-DAXSKMNVSA-N -1 1 300.264 3.891 20 0 DHADMM [O-]c1ccc(-c2noc(COCc3ccccc3)n2)c(Cl)c1 ZINC000445453358 338016896 /nfs/dbraw/zinc/01/68/96/338016896.db2.gz VOTICNLPYBWLFJ-UHFFFAOYSA-N -1 1 316.744 3.812 20 0 DHADMM Cc1ccc(OCc2nc(-c3ccc([O-])cc3F)no2)c(C)c1 ZINC000445453912 338017097 /nfs/dbraw/zinc/01/70/97/338017097.db2.gz CZUCCURXMOHMPB-UHFFFAOYSA-N -1 1 314.316 3.777 20 0 DHADMM Cc1ccc(C)c(OCc2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445457232 338017683 /nfs/dbraw/zinc/01/76/83/338017683.db2.gz XRWQCQCSHHMAFP-UHFFFAOYSA-N -1 1 314.316 3.777 20 0 DHADMM O=C([O-])[C@H](NCc1ccsc1Cl)c1cccc(Cl)c1 ZINC000426738338 338040169 /nfs/dbraw/zinc/04/01/69/338040169.db2.gz VKYNCPUPUSKPIQ-LLVKDONJSA-N -1 1 316.209 3.970 20 0 DHADMM CCCC(C)(C)CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000429117267 338071122 /nfs/dbraw/zinc/07/11/22/338071122.db2.gz UGFFUEHRYVPCQW-UHFFFAOYSA-N -1 1 301.390 3.937 20 0 DHADMM COC(=O)c1c[n-]c(SCCc2ccc3ccccc3c2)n1 ZINC000432671662 338162151 /nfs/dbraw/zinc/16/21/51/338162151.db2.gz QRAOOYHSEIDOFC-UHFFFAOYSA-N -1 1 312.394 3.684 20 0 DHADMM CCc1cccc(S(=O)(=O)[N-]c2ccc(CSC)cc2)c1 ZINC000433510863 338196107 /nfs/dbraw/zinc/19/61/07/338196107.db2.gz OYCBQEWGCFSNNF-UHFFFAOYSA-N -1 1 321.467 3.913 20 0 DHADMM CCc1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2OC)cc1 ZINC000434628327 338221856 /nfs/dbraw/zinc/22/18/56/338221856.db2.gz RARNQTSIBQJBAG-UHFFFAOYSA-N -1 1 319.426 3.675 20 0 DHADMM O=S(=O)([N-][C@@H]1CC=CCC1)c1c(Cl)cc(F)cc1Cl ZINC000435432662 338239908 /nfs/dbraw/zinc/23/99/08/338239908.db2.gz OEBNATRDLALLTG-SECBINFHSA-N -1 1 324.204 3.520 20 0 DHADMM CCc1cc(=O)[n-]c(S[C@@H](C(=O)c2ccccc2)C(C)C)n1 ZINC000436214124 338262216 /nfs/dbraw/zinc/26/22/16/338262216.db2.gz ZIINGSJBAIHJPY-MRXNPFEDSA-N -1 1 316.426 3.744 20 0 DHADMM O=c1cc(C2CC2)nc(SCCCOCc2ccccc2)[n-]1 ZINC000436253846 338263794 /nfs/dbraw/zinc/26/37/94/338263794.db2.gz OMRFSLPICBREKK-UHFFFAOYSA-N -1 1 316.426 3.759 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCCC[C@@H]1C(F)F ZINC000436496517 338274316 /nfs/dbraw/zinc/27/43/16/338274316.db2.gz QHZUPVYFFHIRDL-SNVBAGLBSA-N -1 1 323.261 3.671 20 0 DHADMM O=C(Nc1nc(C(F)(F)F)c[nH]1)c1cc2ccccc2cc1[O-] ZINC000436519817 338274878 /nfs/dbraw/zinc/27/48/78/338274878.db2.gz YUSPWHZUKOZDMR-UHFFFAOYSA-N -1 1 321.258 3.540 20 0 DHADMM COc1ccc(C(=O)Nc2ccc(C)c(OC(F)F)c2)c([O-])c1 ZINC000436545528 338276395 /nfs/dbraw/zinc/27/63/95/338276395.db2.gz CJCGNKSJCDTENE-UHFFFAOYSA-N -1 1 323.295 3.563 20 0 DHADMM Cc1ccccc1C[C@@H]1CCCN1C(=O)c1cc(F)ccc1[O-] ZINC000436552516 338276912 /nfs/dbraw/zinc/27/69/12/338276912.db2.gz XGJGWXFBDIBHFB-INIZCTEOSA-N -1 1 313.372 3.687 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2cccc([S@](C)=O)c2)c([O-])c1 ZINC000436556135 338276932 /nfs/dbraw/zinc/27/69/32/338276932.db2.gz PALVJXVAPNGPCR-QFIPXVFZSA-N -1 1 317.410 3.505 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000436558727 338277136 /nfs/dbraw/zinc/27/71/36/338277136.db2.gz WWSWUDYHCDFRIT-OAHLLOKOSA-N -1 1 317.335 3.518 20 0 DHADMM COc1cccc(F)c1[C@H](C)NC(=O)c1cc(Cl)ccc1[O-] ZINC000436564085 338277244 /nfs/dbraw/zinc/27/72/44/338277244.db2.gz JCMJOACGGRQLFV-VIFPVBQESA-N -1 1 323.751 3.684 20 0 DHADMM COCc1cccc(CNC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000436565373 338277289 /nfs/dbraw/zinc/27/72/89/338277289.db2.gz QUFUVDMZKPFIGX-UHFFFAOYSA-N -1 1 321.376 3.622 20 0 DHADMM C[C@@H]1CCN(C(=O)c2cc(F)ccc2[O-])[C@H]1c1cccc(F)c1 ZINC000436574949 338277842 /nfs/dbraw/zinc/27/78/42/338277842.db2.gz NHTUBQIPKYICNP-PIGZYNQJSA-N -1 1 317.335 3.894 20 0 DHADMM O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(F)ccc1[O-] ZINC000436584920 338278609 /nfs/dbraw/zinc/27/86/09/338278609.db2.gz KHXOOAWABQMPKP-VHSXEESVSA-N -1 1 319.298 3.630 20 0 DHADMM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cc(F)ccc2[O-])C1 ZINC000436590168 338278829 /nfs/dbraw/zinc/27/88/29/338278829.db2.gz RQTFATHKYZEHBC-BDJLRTHQSA-N -1 1 317.335 3.894 20 0 DHADMM O=C(N[C@@H]1CC[C@@H](c2ccccc2F)C1)c1c([O-])cccc1F ZINC000436594074 338279033 /nfs/dbraw/zinc/27/90/33/338279033.db2.gz FPDFEQRQOARBSY-VXGBXAGGSA-N -1 1 317.335 3.737 20 0 DHADMM CCCCn1ncc(NC(=O)c2ccc([O-])cc2F)c1C(C)C ZINC000436595509 338279046 /nfs/dbraw/zinc/27/90/46/338279046.db2.gz ITIAGURRWXDMGN-UHFFFAOYSA-N -1 1 319.380 3.904 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1CCc2ccc(F)c(F)c2C1 ZINC000436607088 338279572 /nfs/dbraw/zinc/27/95/72/338279572.db2.gz SFDUXUJDDHQXPS-UHFFFAOYSA-N -1 1 323.726 3.522 20 0 DHADMM Cc1c2ccccc2oc1[C@H](C)NC(=O)C(=O)c1ccc([O-])cc1 ZINC000436605330 338279676 /nfs/dbraw/zinc/27/96/76/338279676.db2.gz KHLMOTGVRRKVKF-LBPRGKRZSA-N -1 1 323.348 3.507 20 0 DHADMM Cc1ccc(Cc2ccccn2)cc1NC(=O)c1ccccc1[O-] ZINC000436621517 338280238 /nfs/dbraw/zinc/28/02/38/338280238.db2.gz AHEUTNZWVAXDEI-UHFFFAOYSA-N -1 1 318.376 3.939 20 0 DHADMM CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(O)c(Cl)c2)c1 ZINC000436655156 338281592 /nfs/dbraw/zinc/28/15/92/338281592.db2.gz YZBPNFXESTZFAF-UHFFFAOYSA-N -1 1 319.744 3.596 20 0 DHADMM O=C(NCC1(C(F)(F)F)CC1)c1cc2ccccc2cc1[O-] ZINC000436663330 338282062 /nfs/dbraw/zinc/28/20/62/338282062.db2.gz FQGMYDIGYZBLHI-UHFFFAOYSA-N -1 1 309.287 3.618 20 0 DHADMM [O-]c1ccc(-c2noc([C@@H]3C[C@H]3c3ccc(F)cc3)n2)cc1F ZINC000436683927 338282601 /nfs/dbraw/zinc/28/26/01/338282601.db2.gz WQASLAYSHXMLLS-QWHCGFSZSA-N -1 1 314.291 3.992 20 0 DHADMM [O-]c1ccc(-c2noc([C@H]3C[C@H]3c3ccc(F)cc3)n2)cc1F ZINC000436683928 338282654 /nfs/dbraw/zinc/28/26/54/338282654.db2.gz WQASLAYSHXMLLS-STQMWFEESA-N -1 1 314.291 3.992 20 0 DHADMM O=C(NCC1(C(F)(F)F)CCC1)c1cc(Cl)ccc1[O-] ZINC000436690565 338282926 /nfs/dbraw/zinc/28/29/26/338282926.db2.gz ZOTITTVQJNUGFV-UHFFFAOYSA-N -1 1 307.699 3.508 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC=C(c2ccccc2)C1 ZINC000436720508 338284003 /nfs/dbraw/zinc/28/40/03/338284003.db2.gz FJSGHDGUPUAZRE-UHFFFAOYSA-N -1 1 313.784 3.975 20 0 DHADMM O=C(Nc1ccc(OC2CCC2)c(F)c1)c1ccccc1[O-] ZINC000436728230 338284408 /nfs/dbraw/zinc/28/44/08/338284408.db2.gz JDACLYKEURDFPG-UHFFFAOYSA-N -1 1 301.317 3.715 20 0 DHADMM O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)c1ccc([O-])cc1F ZINC000436732372 338284677 /nfs/dbraw/zinc/28/46/77/338284677.db2.gz CWKAHEAMCLJUME-HUUCEWRRSA-N -1 1 313.372 3.988 20 0 DHADMM CC(C)C[C@@H](C)n1nccc1NC(=O)c1cc(F)ccc1[O-] ZINC000436790732 338287500 /nfs/dbraw/zinc/28/75/00/338287500.db2.gz HUPPSFYVUKXVJO-LLVKDONJSA-N -1 1 305.353 3.587 20 0 DHADMM Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1O ZINC000436796413 338287781 /nfs/dbraw/zinc/28/77/81/338287781.db2.gz AMJHSQMYFMNLAE-UHFFFAOYSA-N -1 1 311.259 3.677 20 0 DHADMM CCCc1c(NC(=O)c2ccccc2[O-])cnn1-c1ccccc1 ZINC000436802638 338287920 /nfs/dbraw/zinc/28/79/20/338287920.db2.gz JMCFXHYAKGNEJI-UHFFFAOYSA-N -1 1 321.380 3.783 20 0 DHADMM C[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1(F)F ZINC000436806648 338288030 /nfs/dbraw/zinc/28/80/30/338288030.db2.gz ILWPJHROUKBCRJ-QMMMGPOBSA-N -1 1 323.261 3.528 20 0 DHADMM Cc1ccc2snc(C(=O)Nc3ccc(F)cc3[O-])c2c1 ZINC000436821734 338288631 /nfs/dbraw/zinc/28/86/31/338288631.db2.gz XZLCZKFJGYCJCM-UHFFFAOYSA-N -1 1 302.330 3.702 20 0 DHADMM CCc1ccc(C(=O)N2CCc3ccc(Cl)cc32)c([O-])c1 ZINC000436824325 338288747 /nfs/dbraw/zinc/28/87/47/338288747.db2.gz GOELWIVDQCISAF-UHFFFAOYSA-N -1 1 301.773 3.811 20 0 DHADMM Cc1ncsc1/C=C\c1nc(-c2ccc([O-])cc2F)no1 ZINC000436874825 338291147 /nfs/dbraw/zinc/29/11/47/338291147.db2.gz RVMNUNLYBAIUTJ-PLNGDYQASA-N -1 1 303.318 3.517 20 0 DHADMM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1ccc([O-])cc1F ZINC000436881982 338291613 /nfs/dbraw/zinc/29/16/13/338291613.db2.gz WIPRLHLWIOWUBI-QGHHPUGFSA-N -1 1 317.335 3.724 20 0 DHADMM [O-]c1ccc(Oc2ccccc2)cc1-c1nc([C@@H]2CCOC2)no1 ZINC000436889454 338291909 /nfs/dbraw/zinc/29/19/09/338291909.db2.gz BVTHLGIPWYYZHH-GFCCVEGCSA-N -1 1 324.336 3.738 20 0 DHADMM O=C(NCCCOC1CCCC1)c1ccc2ccccc2c1[O-] ZINC000436947268 338295425 /nfs/dbraw/zinc/29/54/25/338295425.db2.gz GEHWNRHSEYGSAA-UHFFFAOYSA-N -1 1 313.397 3.625 20 0 DHADMM COc1ccc(C(=O)Nc2ccc(F)cc2OC(C)C)c([O-])c1 ZINC000436967164 338296331 /nfs/dbraw/zinc/29/63/31/338296331.db2.gz PNPIVTGIBFHHMB-UHFFFAOYSA-N -1 1 319.332 3.579 20 0 DHADMM O=C(c1ccc([O-])cc1F)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000436983545 338296538 /nfs/dbraw/zinc/29/65/38/338296538.db2.gz KHBZFGACRXRCRR-GFCCVEGCSA-N -1 1 319.763 3.814 20 0 DHADMM CCc1ccc(C(=O)N2CCCc3c(OC)cccc32)c([O-])c1 ZINC000436989909 338297052 /nfs/dbraw/zinc/29/70/52/338297052.db2.gz NMEGACXLENPXLJ-UHFFFAOYSA-N -1 1 311.381 3.556 20 0 DHADMM CO[C@@H](CNC(=O)c1ccc2ccccc2c1[O-])c1ccccc1 ZINC000437004283 338297542 /nfs/dbraw/zinc/29/75/42/338297542.db2.gz MDSKQXMFIJINGO-SFHVURJKSA-N -1 1 321.376 3.663 20 0 DHADMM O=C(N[C@@H]1C[C@H]1c1ccc2ccccc2c1)c1ccc([O-])cc1F ZINC000437306275 338306757 /nfs/dbraw/zinc/30/67/57/338306757.db2.gz OUKNXKGJOPCGMU-PKOBYXMFSA-N -1 1 321.351 3.970 20 0 DHADMM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1c([O-])cccc1F ZINC000437361216 338307805 /nfs/dbraw/zinc/30/78/05/338307805.db2.gz CBTCGILYRKDCRE-TVQRCGJNSA-N -1 1 323.726 3.610 20 0 DHADMM Cc1ccc([C@@]2(C)CCN(C(=O)c3cc(F)ccc3[O-])C2)cc1 ZINC000447697405 338563698 /nfs/dbraw/zinc/56/36/98/338563698.db2.gz XRDLDTAQGLBWTK-IBGZPJMESA-N -1 1 313.372 3.644 20 0 DHADMM O=c1cc(C(F)(F)F)nc(SC[C@H]2CCC(F)(F)C2)[n-]1 ZINC000450837997 338707885 /nfs/dbraw/zinc/70/78/85/338707885.db2.gz NWLFPAZIOCPRHQ-LURJTMIESA-N -1 1 314.279 3.729 20 0 DHADMM C[C@]1(C(=O)Nc2ccc([O-])c(F)c2F)CCCc2ccccc21 ZINC000456780094 338940292 /nfs/dbraw/zinc/94/02/92/338940292.db2.gz BCZZKJJJHZIXKZ-SFHVURJKSA-N -1 1 317.335 3.903 20 0 DHADMM CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc([O-])c(F)c1F ZINC000456790227 338940810 /nfs/dbraw/zinc/94/08/10/338940810.db2.gz WBFUPIGUJZHGKK-ZWNOBZJWSA-N -1 1 313.344 3.594 20 0 DHADMM CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc([O-])c(F)c1F ZINC000456791545 338940962 /nfs/dbraw/zinc/94/09/62/338940962.db2.gz YKESHEWUNPKAGG-QWHCGFSZSA-N -1 1 317.335 3.975 20 0 DHADMM Cc1cnc(C(=O)N(C)[C@@H]2CCC[C@H]2c2ccccc2)c([O-])c1 ZINC000458018856 338986126 /nfs/dbraw/zinc/98/61/26/338986126.db2.gz DHBRZLKOPZFHKJ-JKSUJKDBSA-N -1 1 310.397 3.504 20 0 DHADMM C[C@H](c1cccc(Cl)c1)N(C)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459289319 339019589 /nfs/dbraw/zinc/01/95/89/339019589.db2.gz APYUPMVYFRXVFY-LLVKDONJSA-N -1 1 317.820 3.906 20 0 DHADMM Cc1ccc(C(=O)CSc2nc(C3CC3)cc(=O)[n-]2)cc1C ZINC000470436694 339319703 /nfs/dbraw/zinc/31/97/03/339319703.db2.gz PTEROGMESDUOEM-UHFFFAOYSA-N -1 1 314.410 3.651 20 0 DHADMM Cc1ccc(C)c(C(=O)CSc2nc(C3CC3)cc(=O)[n-]2)c1 ZINC000470440195 339319768 /nfs/dbraw/zinc/31/97/68/339319768.db2.gz CTTLNOABURJIIT-UHFFFAOYSA-N -1 1 314.410 3.651 20 0 DHADMM O=c1cc(C2CC2)nc(SCc2ccc(OC(F)F)cc2)[n-]1 ZINC000470449374 339320128 /nfs/dbraw/zinc/32/01/28/339320128.db2.gz ZOTJGILIDYBGJN-UHFFFAOYSA-N -1 1 324.352 3.953 20 0 DHADMM Cc1ccc(C(=O)CSc2nc(C3CC3)cc(=O)[n-]2)c(C)c1 ZINC000470454746 339320194 /nfs/dbraw/zinc/32/01/94/339320194.db2.gz BHLUXDJCXIXGCE-UHFFFAOYSA-N -1 1 314.410 3.651 20 0 DHADMM CCC1(C(=O)Nc2cc(C)cc(Br)c2[O-])CCC1 ZINC000482608137 339637235 /nfs/dbraw/zinc/63/72/35/339637235.db2.gz QOBCXAHLBBFDLH-UHFFFAOYSA-N -1 1 312.207 3.982 20 0 DHADMM CC(=O)c1cc(C(=O)Nc2ccc([O-])c(Cl)c2)c(C)nc1C ZINC000486962058 339740335 /nfs/dbraw/zinc/74/03/35/339740335.db2.gz ZVBFWMTWXVUXQG-UHFFFAOYSA-N -1 1 318.760 3.512 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)cc1 ZINC000508454404 340243889 /nfs/dbraw/zinc/24/38/89/340243889.db2.gz XJUKEKNQZLXFEF-UHFFFAOYSA-N -1 1 300.383 3.531 20 0 DHADMM O=c1cc(C2CC2)nc(SC[C@H]2CCCC(F)(F)C2)[n-]1 ZINC000509088863 340260926 /nfs/dbraw/zinc/26/09/26/340260926.db2.gz GSHLKEIKTPSESK-VIFPVBQESA-N -1 1 300.374 3.977 20 0 DHADMM O=c1cc(C2CC2)nc(SC[C@@H]2CCCC(F)(F)C2)[n-]1 ZINC000509088861 340260969 /nfs/dbraw/zinc/26/09/69/340260969.db2.gz GSHLKEIKTPSESK-SECBINFHSA-N -1 1 300.374 3.977 20 0 DHADMM CO[C@@](C)(C(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000509185464 340263366 /nfs/dbraw/zinc/26/33/66/340263366.db2.gz OKEXGYDGEKVUBU-MRXNPFEDSA-N -1 1 305.761 3.546 20 0 DHADMM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000511730452 340336416 /nfs/dbraw/zinc/33/64/16/340336416.db2.gz SAPQXPXTNBVCDA-AWEZNQCLSA-N -1 1 319.426 3.973 20 0 DHADMM CC1(C[NH2+]Cc2c(F)ccc([O-])c2F)Cc2ccccc2C1 ZINC000511795667 340338475 /nfs/dbraw/zinc/33/84/75/340338475.db2.gz WTFPLPPKLYIDBK-UHFFFAOYSA-N -1 1 303.352 3.565 20 0 DHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1 ZINC000172881941 340345473 /nfs/dbraw/zinc/34/54/73/340345473.db2.gz DLVAWJCYSCVIFR-UHFFFAOYSA-N -1 1 317.410 3.813 20 0 DHADMM COCc1ccccc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000172885756 340346121 /nfs/dbraw/zinc/34/61/21/340346121.db2.gz JJJVGDAPIHAVHH-UHFFFAOYSA-N -1 1 319.426 3.757 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](C)C(C)C)c1 ZINC000182930854 340485925 /nfs/dbraw/zinc/48/59/25/340485925.db2.gz QIHAXFSQLOQSNU-VIFPVBQESA-N -1 1 300.196 3.694 20 0 DHADMM C[C@@H](C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccsc1 ZINC000521687906 340528929 /nfs/dbraw/zinc/52/89/29/340528929.db2.gz UEJNQMDGUNVLJN-SNVBAGLBSA-N -1 1 313.382 3.586 20 0 DHADMM CSc1cc(O)ccc1[N-]C(=O)c1cc(-c2ccco2)on1 ZINC000191559327 340555515 /nfs/dbraw/zinc/55/55/15/340555515.db2.gz YHTHZMDEGCYFCJ-UHFFFAOYSA-N -1 1 316.338 3.614 20 0 DHADMM CC(C)OCc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000194034441 340588200 /nfs/dbraw/zinc/58/82/00/340588200.db2.gz SEVKLZGPJQNNJM-UHFFFAOYSA-N -1 1 323.389 3.552 20 0 DHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)[C@@H]1CCCOC1 ZINC000529538885 340760961 /nfs/dbraw/zinc/76/09/61/340760961.db2.gz MOFGJBASSLRCNG-SNVBAGLBSA-N -1 1 305.761 3.564 20 0 DHADMM CCO[C@H](CC)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529539126 340761078 /nfs/dbraw/zinc/76/10/78/340761078.db2.gz PVIUHBAKHYJRLG-CQSZACIVSA-N -1 1 307.777 3.952 20 0 DHADMM C[C@@H]1OCC[C@H]1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529539729 340761148 /nfs/dbraw/zinc/76/11/48/340761148.db2.gz SYBDCWCCTZYLBY-VHSXEESVSA-N -1 1 305.761 3.562 20 0 DHADMM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000124298188 340798203 /nfs/dbraw/zinc/79/82/03/340798203.db2.gz VZAVLSBOYZNOBB-CVEARBPZSA-N -1 1 310.397 3.586 20 0 DHADMM C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)c1ncccc1[O-] ZINC000127487603 340851726 /nfs/dbraw/zinc/85/17/26/340851726.db2.gz MSMNQZCISCXJIX-AWEZNQCLSA-N -1 1 310.397 3.791 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc2cc(F)ccc2[nH]1 ZINC000129641405 340978109 /nfs/dbraw/zinc/97/81/09/340978109.db2.gz AZJIHSMUINBQSY-UHFFFAOYSA-N -1 1 304.708 3.918 20 0 DHADMM CSc1ccccc1CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000543745539 341056472 /nfs/dbraw/zinc/05/64/72/341056472.db2.gz AYYFVHNGOBYDRP-UHFFFAOYSA-N -1 1 307.802 3.949 20 0 DHADMM O=c1nc(-c2ccc(Cl)o2)[n-]c2sc3c(c21)CCCS3 ZINC000131443193 341088840 /nfs/dbraw/zinc/08/88/40/341088840.db2.gz BAOMEOXONWGQDA-UHFFFAOYSA-N -1 1 324.814 3.936 20 0 DHADMM CCOc1cc(C(=O)N[C@H](C)C[C@@H](C)CC)cc(Cl)c1[O-] ZINC000545149706 341110431 /nfs/dbraw/zinc/11/04/31/341110431.db2.gz NGZXOCHOGNOTQF-WDEREUQCSA-N -1 1 313.825 3.999 20 0 DHADMM CN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(Cl)cc1[O-] ZINC000074058020 341126886 /nfs/dbraw/zinc/12/68/86/341126886.db2.gz GEUMIQBUGAODGG-UHFFFAOYSA-N -1 1 311.715 3.596 20 0 DHADMM COc1cc(Cl)c(C)cc1NC(=O)c1cc(F)ccc1[O-] ZINC000132858456 341147425 /nfs/dbraw/zinc/14/74/25/341147425.db2.gz UWMUOBBCFYHCPA-UHFFFAOYSA-N -1 1 309.724 3.754 20 0 DHADMM CCOc1cc(C(=O)N(C)[C@H](C)C(C)(C)C)cc(Cl)c1[O-] ZINC000547290799 341203737 /nfs/dbraw/zinc/20/37/37/341203737.db2.gz LMDZTIUEMUTOHR-SNVBAGLBSA-N -1 1 313.825 3.951 20 0 DHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1C ZINC000134770118 341223695 /nfs/dbraw/zinc/22/36/95/341223695.db2.gz LSSNOZMGQWJPGN-UHFFFAOYSA-N -1 1 323.801 3.652 20 0 DHADMM CC[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])CCS1 ZINC000135392773 341238579 /nfs/dbraw/zinc/23/85/79/341238579.db2.gz IIQQEMFSWCQNND-CYBMUJFWSA-N -1 1 301.411 3.513 20 0 DHADMM CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000135907539 341248042 /nfs/dbraw/zinc/24/80/42/341248042.db2.gz RCHCBENTKVBXRV-UHFFFAOYSA-N -1 1 323.751 3.981 20 0 DHADMM C[C@H]1CCCCC[N@H+]1Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000548275368 341253797 /nfs/dbraw/zinc/25/37/97/341253797.db2.gz BOEGRZQTRWKNCF-LBPRGKRZSA-N -1 1 311.385 3.846 20 0 DHADMM CN(C(=O)c1cncc([O-])c1)c1ccc(-c2ccccc2)cc1 ZINC000555856521 341490836 /nfs/dbraw/zinc/49/08/36/341490836.db2.gz OJYIWQBHPXGWBH-UHFFFAOYSA-N -1 1 304.349 3.731 20 0 DHADMM O=C([O-])[C@H]1CC[C@@H](Nc2ccnc3cc(C(F)(F)F)ccc32)C1 ZINC000564732578 341507914 /nfs/dbraw/zinc/50/79/14/341507914.db2.gz OHKLXCHBNKEGRA-GXSJLCMTSA-N -1 1 324.302 3.919 20 0 DHADMM C/C=C/c1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1 ZINC000565113808 341517704 /nfs/dbraw/zinc/51/77/04/341517704.db2.gz BLIVNYOSOFSQAU-NSCUHMNNSA-N -1 1 315.394 3.551 20 0 DHADMM Cc1cc(C)c(CN[C@H](C)c2ncc(C(=O)[O-])s2)c(C)c1 ZINC000566238850 341551585 /nfs/dbraw/zinc/55/15/85/341551585.db2.gz IRNALFGQJWJRLG-GFCCVEGCSA-N -1 1 304.415 3.617 20 0 DHADMM CS[C@@H]1CCCCN(C(=O)c2cc3ccccc3cc2[O-])C1 ZINC000154301082 341587918 /nfs/dbraw/zinc/58/79/18/341587918.db2.gz JXKFOFAYXZOIEA-OAHLLOKOSA-N -1 1 315.438 3.903 20 0 DHADMM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ncc(C)cc1[O-] ZINC000494817064 517831062 /nfs/dbraw/zinc/83/10/62/517831062.db2.gz BOVDARXOORRDRB-IAGOWNOFSA-N -1 1 324.424 3.894 20 0 DHADMM COC1CCC(N(C)C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000265190617 522682995 /nfs/dbraw/zinc/68/29/95/522682995.db2.gz MBADACFLNUCTFL-UHFFFAOYSA-N -1 1 313.397 3.575 20 0 DHADMM C[C@@H]1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C[C@@H]1C ZINC000338402954 524479964 /nfs/dbraw/zinc/47/99/64/524479964.db2.gz OCKLYONTYMJFPE-MNOVXSKESA-N -1 1 318.804 3.712 20 0 DHADMM CC(=O)c1cc(F)c([N-]C(=O)c2cc(C(C)C)on2)c(F)c1 ZINC000272164463 534819898 /nfs/dbraw/zinc/81/98/98/534819898.db2.gz OYOBXFPNPNGBLV-UHFFFAOYSA-N -1 1 308.284 3.531 20 0 DHADMM C[S@@](=O)Cc1cccc(NCc2cccc([O-])c2Cl)c1 ZINC000339317471 525372009 /nfs/dbraw/zinc/37/20/09/525372009.db2.gz SVGUXSPBUADWJU-HXUWFJFHSA-N -1 1 309.818 3.536 20 0 DHADMM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)c2ncccc2[O-])cc1 ZINC000364252597 525827813 /nfs/dbraw/zinc/82/78/13/525827813.db2.gz ONOKQJKRSCOYFM-JKSUJKDBSA-N -1 1 310.397 3.504 20 0 DHADMM C[C@H]1CCCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC000338387970 526266249 /nfs/dbraw/zinc/26/62/49/526266249.db2.gz WIFKVZSFIUMHKW-NSHDSACASA-N -1 1 318.804 3.856 20 0 DHADMM Cc1noc(C)c1C[C@H](C)NC(=O)c1cc2ccccc2cc1[O-] ZINC000129993227 526536893 /nfs/dbraw/zinc/53/68/93/526536893.db2.gz OYEAELYXPLSYIC-NSHDSACASA-N -1 1 324.380 3.511 20 0 DHADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCC2(CCC2)C1 ZINC000338413134 526579059 /nfs/dbraw/zinc/57/90/59/526579059.db2.gz BKCJCNHBVNLNNF-UHFFFAOYSA-N -1 1 316.788 3.610 20 0 DHADMM CCOC1(c2nc(-c3ccc([O-])cc3Cl)no2)CCCC1 ZINC000289088815 535751065 /nfs/dbraw/zinc/75/10/65/535751065.db2.gz NPYRAQSOAQDFMG-UHFFFAOYSA-N -1 1 308.765 3.901 20 0 DHADMM O=C([O-])c1ccc(CNCc2cnc(C3CCCC3)s2)cc1 ZINC000263407710 597256783 /nfs/dbraw/zinc/25/67/83/597256783.db2.gz KIXPGGWSIGUKAF-UHFFFAOYSA-N -1 1 316.426 3.789 20 0 DHADMM COc1ccccc1[C@@H]1CCCN1Cc1cc(C(=O)[O-])oc1C ZINC000568060741 599773548 /nfs/dbraw/zinc/77/35/48/599773548.db2.gz NDKCOONEBQNKTN-HNNXBMFYSA-N -1 1 315.369 3.632 20 0 DHADMM O=C([O-])c1coc(CN2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000740269369 599847624 /nfs/dbraw/zinc/84/76/24/599847624.db2.gz PCWSWBDEERXZDC-UHFFFAOYSA-N -1 1 322.364 3.748 20 0 DHADMM C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1ccc(F)cc1C(=O)[O-] ZINC000736716000 600083865 /nfs/dbraw/zinc/08/38/65/600083865.db2.gz FRQMSMOOJPHVOJ-JTQLQIEISA-N -1 1 323.314 3.995 20 0 DHADMM CC(C)N(CCC(=O)[O-])Cc1csc(C2CCCCC2)n1 ZINC000652478547 600223133 /nfs/dbraw/zinc/22/31/33/600223133.db2.gz JJBWPJLMFHRRCW-UHFFFAOYSA-N -1 1 310.463 3.876 20 0 DHADMM Cc1nc2c(s1)[C@@H](N(C)Cc1cc(C(=O)[O-])oc1C)CCC2 ZINC000563278522 600336422 /nfs/dbraw/zinc/33/64/22/600336422.db2.gz XLEKRCLZBUZNRK-ZDUSSCGKSA-N -1 1 320.414 3.561 20 0 DHADMM O=C([O-])[C@@H](c1cccc(Cl)c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000739517725 600398473 /nfs/dbraw/zinc/39/84/73/600398473.db2.gz QRCGMYZPBFFPDZ-ZYHUDNBSSA-N -1 1 321.726 3.740 20 0 DHADMM C[C@@H]1SCCN(Cc2cc(C(=O)[O-])co2)[C@H]1c1ccccc1 ZINC000576234017 600490338 /nfs/dbraw/zinc/49/03/38/600490338.db2.gz RDCOFAMMVIPUHO-BLLLJJGKSA-N -1 1 317.410 3.656 20 0 DHADMM CSc1ccc(F)cc1CN[C@H](C(=O)[O-])c1ccccc1F ZINC000832780962 600694183 /nfs/dbraw/zinc/69/41/83/600694183.db2.gz NCZOWJXUNNZHAB-HNNXBMFYSA-N -1 1 323.364 3.602 20 0 DHADMM O=C([O-])[C@@H](N[C@H]1CCSc2ccccc21)c1ccccc1F ZINC000833166403 600733979 /nfs/dbraw/zinc/73/39/79/600733979.db2.gz GTFHYJXRKPFTMC-HOCLYGCPSA-N -1 1 317.385 3.778 20 0 DHADMM C[C@@H]1C[C@@H](c2cccc(F)c2)N(Cc2cc(C(=O)[O-])co2)C1 ZINC000578634821 600836097 /nfs/dbraw/zinc/83/60/97/600836097.db2.gz KJDZODALKNLKPI-BZNIZROVSA-N -1 1 303.333 3.700 20 0 DHADMM Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2occc2C(=O)[O-])o1 ZINC000578995271 600857776 /nfs/dbraw/zinc/85/77/76/600857776.db2.gz HBMGQPIRENSYLL-SMDDNHRTSA-N -1 1 303.358 3.852 20 0 DHADMM Cc1ccc([C@@H]2CCCCN2Cc2cc(C)c(C(=O)[O-])o2)o1 ZINC000738581968 600968977 /nfs/dbraw/zinc/96/89/77/600968977.db2.gz IXSWHJXUEMIGRK-AWEZNQCLSA-N -1 1 303.358 3.915 20 0 DHADMM C/C(=C\CN(Cc1ccco1)Cc1ccc(C)s1)C(=O)[O-] ZINC000825729177 601158707 /nfs/dbraw/zinc/15/87/07/601158707.db2.gz BFYMVHQYVVCKEQ-KPKJPENVSA-N -1 1 305.399 3.683 20 0 DHADMM CCN(Cc1cc(C)c(C(=O)[O-])o1)[C@H](C)c1cccc(O)c1 ZINC000829719024 601375665 /nfs/dbraw/zinc/37/56/65/601375665.db2.gz WXBKGVVEBDNRML-GFCCVEGCSA-N -1 1 303.358 3.575 20 0 DHADMM O=C([O-])c1ccoc1CN1CC=C(c2ccc(Cl)cc2)CC1 ZINC000833334724 601597961 /nfs/dbraw/zinc/59/79/61/601597961.db2.gz UMTIHNQPUSCTSE-UHFFFAOYSA-N -1 1 317.772 3.921 20 0 DHADMM O=C([O-])c1sccc1CN1CCSC[C@H]1c1ccccc1 ZINC000563631518 601827472 /nfs/dbraw/zinc/82/74/72/601827472.db2.gz RTLPPAMKGVZGKC-AWEZNQCLSA-N -1 1 319.451 3.736 20 0 DHADMM COc1cc(C)ccc1CN[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000831967147 601850700 /nfs/dbraw/zinc/85/07/00/601850700.db2.gz PWPPLNHFFQZCMZ-MRXNPFEDSA-N -1 1 319.788 3.573 20 0 DHADMM COc1ccc2nc(SCc3ccc(C(=O)[O-])s3)[nH]c2c1 ZINC000109600621 601889385 /nfs/dbraw/zinc/88/93/85/601889385.db2.gz VPTQLFCTUIEGGB-UHFFFAOYSA-N -1 1 320.395 3.624 20 0 DHADMM O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1C[C@H]2CCC[C@@H]21 ZINC000833169229 602207801 /nfs/dbraw/zinc/20/78/01/602207801.db2.gz AEFZIPYOJHNGKG-JCOFBHIZSA-N -1 1 300.185 3.603 20 0 DHADMM O=C([O-])CN(Cc1cnc(-c2ccccc2)s1)C1CCCC1 ZINC000833249580 602337574 /nfs/dbraw/zinc/33/75/74/602337574.db2.gz LTSBWUXAXXOFMK-UHFFFAOYSA-N -1 1 316.426 3.639 20 0 DHADMM C[C@H](NC(=O)[O-])c1ccc(NCc2[nH]nc3ccccc32)cc1 ZINC000825448665 603178348 /nfs/dbraw/zinc/17/83/48/603178348.db2.gz HAKUOWXFKQQJJD-NSHDSACASA-N -1 1 310.357 3.504 20 0 DHADMM C[C@@H](N[C@H]1CCCN(C(=O)[O-])C1)c1cc(Cl)sc1Cl ZINC000827718788 604289478 /nfs/dbraw/zinc/28/94/78/604289478.db2.gz YBXLPBDVYMNQDN-SFYZADRCSA-N -1 1 323.245 3.848 20 0 DHADMM CCCOc1ccc([C@@H](C)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000829527921 604332524 /nfs/dbraw/zinc/33/25/24/604332524.db2.gz MSRPPDBJLWIDES-GFCCVEGCSA-N -1 1 303.358 3.617 20 0 DHADMM CN(Cc1ccc(-c2c(F)cccc2F)o1)C(C)(C)C(=O)[O-] ZINC000833694288 604627848 /nfs/dbraw/zinc/62/78/48/604627848.db2.gz ORQXUNSOISUZQM-UHFFFAOYSA-N -1 1 309.312 3.520 20 0 DHADMM CC[C@H](NCc1ccc(C(=O)[O-])s1)c1cc(F)ccc1F ZINC000833644010 605145136 /nfs/dbraw/zinc/14/51/36/605145136.db2.gz KHDZLTYYZYSGQL-ZDUSSCGKSA-N -1 1 311.353 3.965 20 0 DHADMM CC(C)(C(=O)[O-])[C@H](NC/C(Cl)=C\Cl)c1ccccc1 ZINC000833413448 605177697 /nfs/dbraw/zinc/17/76/97/605177697.db2.gz NBOMBBDJTCRZRY-JATZPVMKSA-N -1 1 302.201 3.747 20 0 DHADMM C[C@@H](c1ccccc1F)N(C)CCOc1ccccc1C(=O)[O-] ZINC000237613495 605203281 /nfs/dbraw/zinc/20/32/81/605203281.db2.gz YCEZLWNGRMQNMV-ZDUSSCGKSA-N -1 1 317.360 3.596 20 0 DHADMM CCc1cnccc1[C@H](C)N[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000833674240 605270899 /nfs/dbraw/zinc/27/08/99/605270899.db2.gz PHVPRYYEDVZXMS-NWDGAFQWSA-N -1 1 302.374 3.655 20 0 DHADMM O=C([O-])Nc1ccc(CN2CCC[C@H]2c2cccs2)cn1 ZINC000834260059 605466526 /nfs/dbraw/zinc/46/65/26/605466526.db2.gz KGTPNBIMAOGXLC-LBPRGKRZSA-N -1 1 303.387 3.570 20 0 DHADMM O=C([O-])N[C@@H]1C[C@@H](N[C@@H]2CCCc3occc32)c2ccccc21 ZINC000834160760 605793651 /nfs/dbraw/zinc/79/36/51/605793651.db2.gz WCIDXLCMKJMXEF-BZUAXINKSA-N -1 1 312.369 3.700 20 0 DHADMM O=C([O-])N[C@H]1C[C@@H](NCc2ccc(F)cc2F)c2ccccc21 ZINC000834156516 605797471 /nfs/dbraw/zinc/79/74/71/605797471.db2.gz BGEVELVYSTYSTL-CVEARBPZSA-N -1 1 318.323 3.508 20 0 DHADMM CC(C)(NCc1cc(C(=O)[O-])ccc1F)c1ccc(F)c(F)c1 ZINC000833461432 605842680 /nfs/dbraw/zinc/84/26/80/605842680.db2.gz WJPFRTWLLJPQCA-UHFFFAOYSA-N -1 1 323.314 3.827 20 0 DHADMM C[C@H](Sc1ccc(Cl)c(-c2nnn[n-]2)n1)c1cccs1 ZINC000820550224 606465562 /nfs/dbraw/zinc/46/55/62/606465562.db2.gz VYPOYCUXYGJUFU-ZETCQYMHSA-N -1 1 323.834 3.830 20 0 DHADMM C[C@H](Sc1ccc(Cl)c(-c2nn[n-]n2)n1)c1cccs1 ZINC000820550224 606465564 /nfs/dbraw/zinc/46/55/64/606465564.db2.gz VYPOYCUXYGJUFU-ZETCQYMHSA-N -1 1 323.834 3.830 20 0 DHADMM CSc1cccc(NCc2ccc(-c3nn[n-]n3)s2)c1C ZINC000826230899 608429777 /nfs/dbraw/zinc/42/97/77/608429777.db2.gz OCLNTJNPJFGMBR-UHFFFAOYSA-N -1 1 317.443 3.571 20 0 DHADMM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2cncc([O-])c2)cc1 ZINC000339903190 1013045750 /nfs/dbraw/zinc/04/57/50/1013045750.db2.gz OOJLZXQCECUIAR-QZTJIDSGSA-N -1 1 310.397 3.504 20 0 DHADMM C[C@H](c1ccccc1)N(CC1CCC1)C(=O)c1cncc([O-])c1 ZINC000339906409 1013051522 /nfs/dbraw/zinc/05/15/22/1013051522.db2.gz WETZYDHAAHBPHH-CQSZACIVSA-N -1 1 310.397 3.791 20 0 DHADMM O=C([O-])C[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000054298320 948930781 /nfs/dbraw/zinc/93/07/81/948930781.db2.gz SGTPUVBWBCGFFH-JTQLQIEISA-N -1 1 302.201 3.680 20 0 DHADMM CC(C)(C)c1csc(CN2CCC[C@@H](CCC(=O)[O-])C2)n1 ZINC000094969315 949189543 /nfs/dbraw/zinc/18/95/43/949189543.db2.gz PPXMRBVXWBNWET-LBPRGKRZSA-N -1 1 310.463 3.517 20 0 DHADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc(Cl)ccc1Cl ZINC000263490249 950489234 /nfs/dbraw/zinc/48/92/34/950489234.db2.gz IHZWRICYJCKUAS-VHSXEESVSA-N -1 1 302.201 3.679 20 0 DHADMM C[C@@H]1CN(Cc2cc(Cl)ccc2Cl)CC[C@H]1C(=O)[O-] ZINC000302559249 950569636 /nfs/dbraw/zinc/56/96/36/950569636.db2.gz XTDFWZWEFORHED-BXKDBHETSA-N -1 1 302.201 3.536 20 0 DHADMM CC[C@H](C)[C@H](NCc1nc(-c2ccc(C)cc2)cs1)C(=O)[O-] ZINC001593614366 953490319 /nfs/dbraw/zinc/49/03/19/953490319.db2.gz 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ZINC000262180220 961527823 /nfs/dbraw/zinc/52/78/23/961527823.db2.gz DNRAIEZJESRIQT-SECBINFHSA-N -1 1 302.201 3.777 20 0 DHADMM C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263411609 962578624 /nfs/dbraw/zinc/57/86/24/962578624.db2.gz LOWIWAGNLIESMG-MFKMUULPSA-N -1 1 301.308 3.548 20 0 DHADMM Cc1c(F)cccc1-c1ccc(CN(CC(=O)[O-])C(C)C)o1 ZINC000263506430 962689956 /nfs/dbraw/zinc/68/99/56/962689956.db2.gz MDWXTXMLPSNPLJ-UHFFFAOYSA-N -1 1 305.349 3.689 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000340328788 1013498346 /nfs/dbraw/zinc/49/83/46/1013498346.db2.gz NCLPSYMVYQPFKI-CMPLNLGQSA-N -1 1 307.271 3.552 20 0 DHADMM CCc1cccc(S(=O)(=O)[N-]c2cccc3c2ccn3C)c1 ZINC000530716956 1013551034 /nfs/dbraw/zinc/55/10/34/1013551034.db2.gz HIANINHUQHHSHC-UHFFFAOYSA-N -1 1 314.410 3.542 20 0 DHADMM Cc1cc(C)cc(-c2nnc([N-]C(=O)c3cncs3)s2)c1 ZINC000340392885 1013560213 /nfs/dbraw/zinc/56/02/13/1013560213.db2.gz CRJIRAVBZPAVRV-UHFFFAOYSA-N -1 1 316.411 3.531 20 0 DHADMM [O-]c1ccc(-c2noc(CCc3ccccc3F)n2)c(F)c1 ZINC000683592123 1013697076 /nfs/dbraw/zinc/69/70/76/1013697076.db2.gz MLQQSYUISBSBOP-UHFFFAOYSA-N -1 1 302.280 3.506 20 0 DHADMM [O-]c1ccc(-c2noc(C[C@H]3CCc4ccccc43)n2)cc1F ZINC000683593004 1013703404 /nfs/dbraw/zinc/70/34/04/1013703404.db2.gz FGEKTZDJJROGBV-GFCCVEGCSA-N -1 1 310.328 3.854 20 0 DHADMM CN(C(=O)c1ccc([O-])cc1F)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000458023252 1013843621 /nfs/dbraw/zinc/84/36/21/1013843621.db2.gz IMFDOSACIGWTTP-MAUKXSAKSA-N -1 1 313.372 3.940 20 0 DHADMM Cc1ccnc(C)c1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000330898834 1013847735 /nfs/dbraw/zinc/84/77/35/1013847735.db2.gz NJIXTINHGBFVHZ-UHFFFAOYSA-N -1 1 304.415 3.623 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)c(C)n1 ZINC000331320084 1013872248 /nfs/dbraw/zinc/87/22/48/1013872248.db2.gz IVAZRFHPCKBJMO-UHFFFAOYSA-N -1 1 304.415 3.623 20 0 DHADMM CC[C@@]1(C(=O)[O-])CCCN([C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000923470687 969651611 /nfs/dbraw/zinc/65/16/11/969651611.db2.gz 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/nfs/dbraw/zinc/10/87/24/1014108724.db2.gz RICUGIWHJSAKFE-UHFFFAOYSA-N -1 1 310.357 3.519 20 0 DHADMM CCCN(CC)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000515068725 974296527 /nfs/dbraw/zinc/29/65/27/974296527.db2.gz VUOZGPWQAMRATJ-UHFFFAOYSA-N -1 1 304.415 3.740 20 0 DHADMM CCc1noc(C)c1[C@H](C)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001603994226 974499328 /nfs/dbraw/zinc/49/93/28/974499328.db2.gz YXORPINBIAAKIM-JMPLFQLZSA-N -1 1 314.385 3.509 20 0 DHADMM CC1(C)CN(Cc2csc(C(=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000565956161 974592669 /nfs/dbraw/zinc/59/26/69/974592669.db2.gz CWPGYUNWBAILFT-LLVKDONJSA-N -1 1 321.364 3.857 20 0 DHADMM CN(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)C(C)(C)C ZINC000571053235 974722658 /nfs/dbraw/zinc/72/26/58/974722658.db2.gz FTOYNRWLEGMXGR-UHFFFAOYSA-N -1 1 304.415 3.739 20 0 DHADMM O=C([O-])c1csc(CN(Cc2ccccc2)CC2CCC2)n1 ZINC000571217529 974725510 /nfs/dbraw/zinc/72/55/10/974725510.db2.gz JPEYLCIHRZYRJO-UHFFFAOYSA-N -1 1 316.426 3.644 20 0 DHADMM C[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(C(=O)[O-])cc1Br ZINC000573330976 974764649 /nfs/dbraw/zinc/76/46/49/974764649.db2.gz HKTNAWQVQKIGHG-AOOOYVTPSA-N -1 1 312.207 3.520 20 0 DHADMM CCc1ccc(-c2nc(CN(CC)CCC(=O)[O-])cs2)cc1 ZINC000576881376 974824672 /nfs/dbraw/zinc/82/46/72/974824672.db2.gz MIXMVYMPMWSWAL-UHFFFAOYSA-N -1 1 318.442 3.669 20 0 DHADMM O=C([O-])c1csc(CN2CCC[C@H](C3CCCCC3)C2)n1 ZINC000659803889 975895140 /nfs/dbraw/zinc/89/51/40/975895140.db2.gz PEQJOJAPZDSJSY-ZDUSSCGKSA-N -1 1 308.447 3.634 20 0 DHADMM CC(C)c1[nH]c(CN2Cc3ccccc3[C@H](C)C2)cc1C(=O)[O-] ZINC001591916993 976374090 /nfs/dbraw/zinc/37/40/90/976374090.db2.gz VIBHJAJKCATRFA-CYBMUJFWSA-N -1 1 312.413 3.956 20 0 DHADMM COC(=O)c1cc2ccc(-c3cc(F)c([O-])cc3F)cc2[nH]1 ZINC001211340248 1014360513 /nfs/dbraw/zinc/36/05/13/1014360513.db2.gz USRNTCKUQDQUKL-UHFFFAOYSA-N -1 1 303.264 3.605 20 0 DHADMM C[C@@H](CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)CC(C)(C)C ZINC001592278226 977561642 /nfs/dbraw/zinc/56/16/42/977561642.db2.gz QSOXNUGGUAKULO-JTQLQIEISA-N -1 1 317.389 3.662 20 0 DHADMM C[C@H](CCC(C)(C)C)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001592476803 978238120 /nfs/dbraw/zinc/23/81/20/978238120.db2.gz AZWGIPPONYLRMK-SNVBAGLBSA-N -1 1 317.389 3.662 20 0 DHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)c1cncs1 ZINC001167440420 1014484190 /nfs/dbraw/zinc/48/41/90/1014484190.db2.gz UMUGAVSNTQHVRK-UHFFFAOYSA-N -1 1 304.758 3.908 20 0 DHADMM Cc1cnc(C(=O)N2CC[C@@H](C)C3(CCCCC3)C2)c([O-])c1 ZINC000427819262 1014530658 /nfs/dbraw/zinc/53/06/58/1014530658.db2.gz RNLBKBIBWQXCMD-CQSZACIVSA-N -1 1 302.418 3.528 20 0 DHADMM COC[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccccc1 ZINC000191042346 1014553479 /nfs/dbraw/zinc/55/34/79/1014553479.db2.gz GRUICALXNUGHBE-CQSZACIVSA-N -1 1 309.768 3.662 20 0 DHADMM CC[C@@H](N[C@H](C)c1ccc(C(=O)[O-])o1)c1ccccc1OC ZINC001595281286 980332498 /nfs/dbraw/zinc/33/24/98/980332498.db2.gz LLEPRWRIMFXYDB-DGCLKSJQSA-N -1 1 303.358 3.788 20 0 DHADMM CC[C@H](NCc1ccc(C(=O)[O-])cc1F)c1ccc(F)cc1 ZINC001595299368 980426711 /nfs/dbraw/zinc/42/67/11/980426711.db2.gz RAUAPOOMJYKEJX-INIZCTEOSA-N -1 1 305.324 3.904 20 0 DHADMM CC[C@@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccsc1 ZINC001595300140 980433502 /nfs/dbraw/zinc/43/35/02/980433502.db2.gz NIWSIUUBJBJCPZ-GFCCVEGCSA-N -1 1 310.806 3.736 20 0 DHADMM CC[C@H](NCc1cn2cc(C)ccc2n1)c1ccc(C(=O)[O-])cc1 ZINC001595305304 980444219 /nfs/dbraw/zinc/44/42/19/980444219.db2.gz NHIXJQRCHLOVEF-KRWDZBQOSA-N -1 1 323.396 3.582 20 0 DHADMM CC[C@H](NCc1cnc(C(=O)[O-])cn1)c1cccc2ccccc21 ZINC001595305368 980445267 /nfs/dbraw/zinc/44/52/67/980445267.db2.gz PNKXDZZULAFDOQ-KRWDZBQOSA-N -1 1 321.380 3.569 20 0 DHADMM CC[C@@H](NCc1ccsc1C(=O)[O-])c1ccc(F)cc1F ZINC001595305344 980445449 /nfs/dbraw/zinc/44/54/49/980445449.db2.gz ORCIWSARSDVODJ-CYBMUJFWSA-N -1 1 311.353 3.965 20 0 DHADMM C/C(=C/c1ccccc1)CN[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000901910161 980622267 /nfs/dbraw/zinc/62/22/67/980622267.db2.gz FIWVUVMPLUQXQF-KGTBHZDVSA-N -1 1 302.399 3.595 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CN[C@H]1CCSc2ccccc21 ZINC000902068844 980718735 /nfs/dbraw/zinc/71/87/35/980718735.db2.gz GPOVCIJHQMQYFM-ZDUSSCGKSA-N -1 1 303.383 3.613 20 0 DHADMM O=C([O-])c1ccc(-c2ccc(CNCCC(F)(F)F)o2)cc1 ZINC000902098221 980732930 /nfs/dbraw/zinc/73/29/30/980732930.db2.gz NZGLBRMTFKHWHO-UHFFFAOYSA-N -1 1 313.275 3.687 20 0 DHADMM Cc1cc([C@H](C)NCc2ccc(/C=C/C(=O)[O-])o2)c(C)s1 ZINC000902110731 980739535 /nfs/dbraw/zinc/73/95/35/980739535.db2.gz CQHCDECDUIFELM-MLRMMBSGSA-N -1 1 305.399 3.907 20 0 DHADMM O=C([O-])c1ccc(CNCc2ccc(OC3CCCC3)cc2)o1 ZINC000902203183 980781113 /nfs/dbraw/zinc/78/11/13/980781113.db2.gz LFVBDBHLMGDUPA-UHFFFAOYSA-N -1 1 315.369 3.589 20 0 DHADMM CCc1cccc2c1OCC[C@@H]2NCc1csc(C(=O)[O-])c1 ZINC000902213640 980785489 /nfs/dbraw/zinc/78/54/89/980785489.db2.gz QHQRBCIABQWSDC-AWEZNQCLSA-N -1 1 317.410 3.622 20 0 DHADMM CCc1oc(CN[C@@H]2CCCc3sccc32)cc1C(=O)[O-] ZINC000902218590 980787239 /nfs/dbraw/zinc/78/72/39/980787239.db2.gz KBVSZJFSZDEYCG-CYBMUJFWSA-N -1 1 305.399 3.769 20 0 DHADMM O=C([O-])c1cc(CN[C@@H](c2ccc(Cl)cc2)C2CCC2)on1 ZINC000902226785 980791296 /nfs/dbraw/zinc/79/12/96/980791296.db2.gz ZWMQXKPWZTTWII-OAHLLOKOSA-N -1 1 320.776 3.657 20 0 DHADMM CC1(C)C[C@H](NCc2ccc(/C=C\C(=O)[O-])o2)c2ccccc21 ZINC000902262827 980806090 /nfs/dbraw/zinc/80/60/90/980806090.db2.gz GGBQAFZSHWQFPB-IBSYWUHOSA-N -1 1 311.381 3.890 20 0 DHADMM CC[C@@H](NCc1cc(C(=O)[O-])cs1)c1ccc(F)cc1F ZINC000902286163 980818220 /nfs/dbraw/zinc/81/82/20/980818220.db2.gz GEGMQTDZHDKJBT-CQSZACIVSA-N -1 1 311.353 3.965 20 0 DHADMM Cc1nn(C(C)(C)C)cc1[C@@H](C)NCc1csc(C(=O)[O-])c1 ZINC000902302658 980824390 /nfs/dbraw/zinc/82/43/90/980824390.db2.gz BCUSDKMBYNHCRW-SNVBAGLBSA-N -1 1 321.446 3.557 20 0 DHADMM CCc1oc(CNCc2cccc(C(C)C)c2)cc1C(=O)[O-] ZINC000902353145 980846773 /nfs/dbraw/zinc/84/67/73/980846773.db2.gz BNESCPDVWXPXLQ-UHFFFAOYSA-N -1 1 301.386 3.953 20 0 DHADMM O=C([O-])c1csc(CNC2(c3ccccc3F)CCC2)c1 ZINC000902372479 980859497 /nfs/dbraw/zinc/85/94/97/980859497.db2.gz JWYAPDZBTGWBNA-UHFFFAOYSA-N -1 1 305.374 3.754 20 0 DHADMM O=C([O-])/C=C\c1ccc(CNC2(c3cccc(F)c3)CCC2)o1 ZINC000902373737 980860419 /nfs/dbraw/zinc/86/04/19/980860419.db2.gz UCZASZPFYVYCLK-FPLPWBNLSA-N -1 1 315.344 3.686 20 0 DHADMM O=C([O-])[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](CF)C1 ZINC000903607872 980988568 /nfs/dbraw/zinc/98/85/68/980988568.db2.gz NQURHMRAFSJWHG-TVQRCGJNSA-N -1 1 320.191 3.801 20 0 DHADMM Cc1cnc(Cl)c(CN[C@@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000904012348 981080159 /nfs/dbraw/zinc/08/01/59/981080159.db2.gz WONPVMUPIRVBDL-HNNXBMFYSA-N -1 1 318.804 3.739 20 0 DHADMM CCc1oc(CN[C@H](C)c2ccc(OC)c(C)c2)cc1C(=O)[O-] ZINC000905771102 981147667 /nfs/dbraw/zinc/14/76/67/981147667.db2.gz RWWWPYHSMMGBSB-GFCCVEGCSA-N -1 1 317.385 3.708 20 0 DHADMM Cc1cc2[n-]c(-c3ccc4c(c3)CCCCC4=O)nc(=O)c2s1 ZINC000656491008 1014722758 /nfs/dbraw/zinc/72/27/58/1014722758.db2.gz IWEQXZNVAKAJIN-UHFFFAOYSA-N -1 1 324.405 3.869 20 0 DHADMM CCCC(=CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)CCC ZINC001595522461 981345096 /nfs/dbraw/zinc/34/50/96/981345096.db2.gz QLMPQVSGHIEXDJ-UHFFFAOYSA-N -1 1 315.373 3.726 20 0 DHADMM COc1cc(C(=O)N(C)Cc2cccc(C)c2)cc(Cl)c1[O-] ZINC000442865387 1014751612 /nfs/dbraw/zinc/75/16/12/1014751612.db2.gz IEOWTTYHDFFXOF-UHFFFAOYSA-N -1 1 319.788 3.635 20 0 DHADMM CCCCN(Cc1ccc(C(=O)[O-])[nH]1)Cc1ccccc1F ZINC001595749296 982422870 /nfs/dbraw/zinc/42/28/70/982422870.db2.gz WDVMFMGIPIBBOA-UHFFFAOYSA-N -1 1 304.365 3.654 20 0 DHADMM CC(C)[N@@H+](Cc1cccc(Cl)c1)Cc1ccc(C(=O)[O-])cn1 ZINC000581434829 1014852287 /nfs/dbraw/zinc/85/22/87/1014852287.db2.gz NVDGGQQBKXFLHJ-UHFFFAOYSA-N -1 1 318.804 3.844 20 0 DHADMM CC(C)N(Cc1cccc(Cl)c1)Cc1ccc(C(=O)[O-])cn1 ZINC000581434829 1014852299 /nfs/dbraw/zinc/85/22/99/1014852299.db2.gz NVDGGQQBKXFLHJ-UHFFFAOYSA-N -1 1 318.804 3.844 20 0 DHADMM CCc1cccc2cc(CN[C@@H](Cc3ccccc3)C(=O)[O-])oc21 ZINC000656564122 1014869415 /nfs/dbraw/zinc/86/94/15/1014869415.db2.gz AZKJPHPPHSFJER-SFHVURJKSA-N -1 1 323.392 3.781 20 0 DHADMM COc1cc(C(=O)NC[C@@H]2CCC[C@H](C)C2)cc(Cl)c1[O-] ZINC000443348965 1014881057 /nfs/dbraw/zinc/88/10/57/1014881057.db2.gz WPEHFFCRGHDVTB-WDEREUQCSA-N -1 1 311.809 3.610 20 0 DHADMM CCN(Cc1cc(C(=O)[O-])c(C)o1)Cc1ccc(Cl)cc1 ZINC001596359981 983837294 /nfs/dbraw/zinc/83/72/94/983837294.db2.gz VSKIYDBQTKVQOE-UHFFFAOYSA-N -1 1 307.777 3.962 20 0 DHADMM C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000094158766 1015026313 /nfs/dbraw/zinc/02/63/13/1015026313.db2.gz VJGICXBTCUDEGE-NSHDSACASA-N -1 1 321.779 3.888 20 0 DHADMM Cc1[nH]c2ccc(CN[C@@H](C)c3cc(C(=O)[O-])co3)cc2c1C ZINC001599964923 985884563 /nfs/dbraw/zinc/88/45/63/985884563.db2.gz BKPAKVBZZJZQTE-LBPRGKRZSA-N -1 1 312.369 3.927 20 0 DHADMM Cc1cc(CSc2nc(C3CC3)cc(=O)[n-]2)cc(Cl)n1 ZINC000840208372 1015187242 /nfs/dbraw/zinc/18/72/42/1015187242.db2.gz ZBPLRFFJBWKSAT-UHFFFAOYSA-N -1 1 307.806 3.709 20 0 DHADMM CCOc1cc(C)ccc1CNCc1ccc(C(=O)[O-])c(F)c1 ZINC001597031697 986449851 /nfs/dbraw/zinc/44/98/51/986449851.db2.gz KZLJMXCIVLNOLV-UHFFFAOYSA-N -1 1 317.360 3.521 20 0 DHADMM CC[C@@H](N[C@H](C(=O)[O-])c1ccccc1F)c1ccc(F)cc1 ZINC001597291583 987379161 /nfs/dbraw/zinc/37/91/61/987379161.db2.gz MMGYVLBIDZUFPV-CVEARBPZSA-N -1 1 305.324 3.831 20 0 DHADMM CC[C@H](N[C@@H](C)c1cncc(C(=O)[O-])c1)c1ccccc1F ZINC001597349336 987484803 /nfs/dbraw/zinc/48/48/03/987484803.db2.gz HALQIFVCNWOCJY-ZBEGNZNMSA-N -1 1 302.349 3.721 20 0 DHADMM CC(C)n1ncc2ccc(NC(=O)c3ccc([O-])cc3F)cc21 ZINC001143397153 1015338985 /nfs/dbraw/zinc/33/89/85/1015338985.db2.gz GJMYWBBZXZUCCA-UHFFFAOYSA-N -1 1 313.332 3.714 20 0 DHADMM CSCC[C@@H](C)[N@@H+](C)Cc1c(Cl)cccc1C(=O)[O-] ZINC001599795669 988093203 /nfs/dbraw/zinc/09/32/03/988093203.db2.gz SNTMXIQMVIXNFU-SNVBAGLBSA-N -1 1 301.839 3.612 20 0 DHADMM CSc1ccc(F)cc1CNCc1cccc(C(=O)[O-])c1 ZINC001599815007 988405875 /nfs/dbraw/zinc/40/58/75/988405875.db2.gz ZANCNSGTBDLZMV-UHFFFAOYSA-N -1 1 305.374 3.536 20 0 DHADMM COc1ccc2c(c1)CN(C(=O)c1ccc3ccccc3c1[O-])C2 ZINC001143400260 1015409318 /nfs/dbraw/zinc/40/93/18/1015409318.db2.gz BZWBTLLZBMUQTP-UHFFFAOYSA-N -1 1 319.360 3.710 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN1CCc2ccsc2[C@@H]1C ZINC001597766266 989210675 /nfs/dbraw/zinc/21/06/75/989210675.db2.gz IJSKHMUUDJIGIP-JTQLQIEISA-N -1 1 305.399 3.721 20 0 DHADMM CCc1oc(CN[C@H]2CCCc3c(F)cccc32)cc1C(=O)[O-] ZINC001597799434 989383171 /nfs/dbraw/zinc/38/31/71/989383171.db2.gz QQODZFHJLLCTAK-INIZCTEOSA-N -1 1 317.360 3.847 20 0 DHADMM CCc1oc(CNCc2ccc(C(C)(F)F)cc2)cc1C(=O)[O-] ZINC001597805285 989412642 /nfs/dbraw/zinc/41/26/42/989412642.db2.gz BPASJOFYMOPFIT-UHFFFAOYSA-N -1 1 323.339 3.942 20 0 DHADMM C[C@@]1(C(=O)[O-])CCCN1Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC001599884502 989532583 /nfs/dbraw/zinc/53/25/83/989532583.db2.gz FGAGBPDOWSPOOX-ZDUSSCGKSA-N -1 1 321.726 3.798 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCC[C@@H]1C(C)(C)C ZINC000840540261 1015592555 /nfs/dbraw/zinc/59/25/55/1015592555.db2.gz RUIPCNAGWPDSDP-STQMWFEESA-N -1 1 319.449 3.559 20 0 DHADMM CC(C)[C@H](NCc1oncc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001591034085 991351352 /nfs/dbraw/zinc/35/13/52/991351352.db2.gz ZAWROHXXAKZTFC-AWEZNQCLSA-N -1 1 308.765 3.513 20 0 DHADMM CC(C)[C@H](c1ccccc1)N(C)Cc1ncc(C(=O)[O-])s1 ZINC001591058843 991478057 /nfs/dbraw/zinc/47/80/57/991478057.db2.gz VLNHVKFYVBEQGT-OAHLLOKOSA-N -1 1 304.415 3.670 20 0 DHADMM COc1ccccc1[C@@H](C)N[C@H](C(=O)[O-])c1ccccc1Cl ZINC001599718737 991500310 /nfs/dbraw/zinc/50/03/10/991500310.db2.gz VPRJYEDKTOLRHN-BZNIZROVSA-N -1 1 319.788 3.825 20 0 DHADMM COc1ccc(F)cc1[C@H](C)NCc1ccc(C(=O)[O-])c(C)c1 ZINC001599582397 993568934 /nfs/dbraw/zinc/56/89/34/993568934.db2.gz AEEBYKOTZCJYTN-LBPRGKRZSA-N -1 1 317.360 3.692 20 0 DHADMM C[C@H](N[C@@H](C)c1ccc2c(c1)CCCO2)c1cc(C(=O)[O-])co1 ZINC001593195694 994149379 /nfs/dbraw/zinc/14/93/79/994149379.db2.gz DQWLAIHXSWPUNZ-RYUDHWBXSA-N -1 1 315.369 3.715 20 0 DHADMM C[C@@H](N[C@H](C(=O)[O-])c1cccc(Cl)c1Cl)c1ccc[nH]1 ZINC001593195627 994149600 /nfs/dbraw/zinc/14/96/00/994149600.db2.gz SAEALCMTMADMED-OQPBUACISA-N -1 1 313.184 3.798 20 0 DHADMM C[C@H](N[C@H](CCC(=O)[O-])c1ccccc1)c1cccc(O)c1F ZINC001593205193 994211786 /nfs/dbraw/zinc/21/17/86/994211786.db2.gz YQMGMGZYYKTGCO-SWLSCSKDSA-N -1 1 317.360 3.788 20 0 DHADMM C[C@H](N[C@@H]1CCCc2c(F)cccc21)c1cc(C(=O)[O-])co1 ZINC001593218622 994288888 /nfs/dbraw/zinc/28/88/88/994288888.db2.gz JTZYZOKACNDIGK-ZUZCIYMTSA-N -1 1 303.333 3.845 20 0 DHADMM C[C@H](c1ccc(F)c(Cl)c1)N(C)Cc1ccc(C(=O)[O-])cn1 ZINC001593694212 996148343 /nfs/dbraw/zinc/14/83/43/996148343.db2.gz UUAAUECPMAWSCM-SNVBAGLBSA-N -1 1 322.767 3.765 20 0 DHADMM C[C@@H](c1ncc(C(=O)[O-])s1)N1CC[C@H](c2cccc(F)c2)C1 ZINC001593732366 996311982 /nfs/dbraw/zinc/31/19/82/996311982.db2.gz SKEBMHMWKHULGY-JQWIXIFHSA-N -1 1 320.389 3.531 20 0 DHADMM COc1c(C)cccc1CN[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001599334250 997805371 /nfs/dbraw/zinc/80/53/71/997805371.db2.gz ROBOXKCHFUCQDO-OAHLLOKOSA-N -1 1 319.788 3.573 20 0 DHADMM C[C@H]1[C@H](C(F)(F)F)CCCN1Cc1cc(C(=O)[O-])cs1 ZINC001594172059 998660887 /nfs/dbraw/zinc/66/08/87/998660887.db2.gz CFXRLCDBSPIQIL-GZMMTYOYSA-N -1 1 307.337 3.609 20 0 DHADMM C[C@@H]1C[C@H](c2ccccc2F)N(Cc2cncc(C(=O)[O-])c2)C1 ZINC001594268888 999039521 /nfs/dbraw/zinc/03/95/21/999039521.db2.gz CLNKPXFAXSLELU-SJKOYZFVSA-N -1 1 314.360 3.502 20 0 DHADMM C[C@@H]1CCN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)[C@@H]2CCCC[C@@H]12 ZINC001594423520 999581221 /nfs/dbraw/zinc/58/12/21/999581221.db2.gz YLKMOMRAQSYHHB-HACGYAERSA-N -1 1 316.445 3.991 20 0 DHADMM CC1(C)C[C@H](NC(=O)c2cc3ccccc3cc2[O-])C(C)(C)O1 ZINC000622492005 1016434934 /nfs/dbraw/zinc/43/49/34/1016434934.db2.gz KXKWHRBGENJGDF-INIZCTEOSA-N -1 1 313.397 3.621 20 0 DHADMM O=C(NC1(Cc2ccccc2)CCCC1)c1c([O-])cccc1F ZINC000622509951 1016442897 /nfs/dbraw/zinc/44/28/97/1016442897.db2.gz RMYKEQAENFIPCC-UHFFFAOYSA-N -1 1 313.372 3.817 20 0 DHADMM CC(C)c1nc(=NCCc2nc3cc(Cl)ccc3s2)o[n-]1 ZINC000346862717 1016603642 /nfs/dbraw/zinc/60/36/42/1016603642.db2.gz FGXKVSJCADRYIV-UHFFFAOYSA-N -1 1 322.821 3.533 20 0 DHADMM [O-]c1cccc(CN2CCO[C@@H](c3ccccc3)C2)c1Cl ZINC000294767478 1032149193 /nfs/dbraw/zinc/14/91/93/1032149193.db2.gz APLDYHUEVSUVGW-MRXNPFEDSA-N -1 1 303.789 3.619 20 0 DHADMM [O-]c1cccc(CN2CCO[C@H](c3ccccc3)C2)c1Cl ZINC000294767468 1032149759 /nfs/dbraw/zinc/14/97/59/1032149759.db2.gz APLDYHUEVSUVGW-INIZCTEOSA-N -1 1 303.789 3.619 20 0 DHADMM CN(Cc1ccccc1)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684868905 1016741916 /nfs/dbraw/zinc/74/19/16/1016741916.db2.gz JHJOXAYYHGMBIB-UHFFFAOYSA-N -1 1 309.287 3.683 20 0 DHADMM CCCN(CC1CC1)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684870047 1016745954 /nfs/dbraw/zinc/74/59/54/1016745954.db2.gz IMJLXUJWVQWNEG-UHFFFAOYSA-N -1 1 301.308 3.673 20 0 DHADMM Cc1cccc(N(C)C(=O)c2ccc(C(F)(F)F)c([O-])c2)c1 ZINC000684872835 1016759668 /nfs/dbraw/zinc/75/96/68/1016759668.db2.gz QUOCKDSLHURHML-UHFFFAOYSA-N -1 1 309.287 3.996 20 0 DHADMM C[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)CC1 ZINC000684871864 1016755915 /nfs/dbraw/zinc/75/59/15/1016755915.db2.gz LPXDAVZJOOOIOE-JTQLQIEISA-N -1 1 301.308 3.673 20 0 DHADMM O=C([O-])[C@@H]1Cc2ccccc2CN1Cc1csc2ccccc12 ZINC000320453986 1016790248 /nfs/dbraw/zinc/79/02/48/1016790248.db2.gz WFTYMBNBSPIZGE-KRWDZBQOSA-N -1 1 323.417 3.913 20 0 DHADMM CCCCC(=O)[C@H](CCCC)Oc1[n-]c(=S)ncc1F ZINC001227387305 1016832886 /nfs/dbraw/zinc/83/28/86/1016832886.db2.gz WHSVJKBKMRKYHR-LBPRGKRZSA-N -1 1 300.399 3.601 20 0 DHADMM Cc1nc(-c2ccc(N[C@@H]3CCCC4(CC4)C3)nc2)[n-]c(=O)c1C ZINC000897041353 1017014627 /nfs/dbraw/zinc/01/46/27/1017014627.db2.gz LNOLCEVTBWAOCL-OAHLLOKOSA-N -1 1 324.428 3.996 20 0 DHADMM O=C(c1cncc([O-])c1)N(Cc1ccccc1)c1ccccc1 ZINC000082335541 1032169491 /nfs/dbraw/zinc/16/94/91/1032169491.db2.gz BSKBEZMLMDTNIY-UHFFFAOYSA-N -1 1 304.349 3.634 20 0 DHADMM Cc1ccsc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC000476433373 1032180017 /nfs/dbraw/zinc/18/00/17/1032180017.db2.gz MDMNRKLVQLNOBQ-UHFFFAOYSA-N -1 1 323.773 3.789 20 0 DHADMM C[C@@H]1C[C@@H](c2cccs2)CN1C(=O)c1cc(F)ccc1[O-] ZINC000362008824 1032193081 /nfs/dbraw/zinc/19/30/81/1032193081.db2.gz IIYIBGXWIONCGQ-GHMZBOCLSA-N -1 1 305.374 3.611 20 0 DHADMM C[C@H]1SCCN(C(=O)c2ccc3ccccc3c2[O-])[C@H]1C ZINC000118287894 1032241383 /nfs/dbraw/zinc/24/13/83/1032241383.db2.gz GRVZFJVTPWIKMX-NWDGAFQWSA-N -1 1 301.411 3.511 20 0 DHADMM CC[C@@H]1COC(C)(C)CN1C(=O)c1cc2ccccc2cc1[O-] ZINC000403834110 1017078218 /nfs/dbraw/zinc/07/82/18/1017078218.db2.gz QRAOOUPDQKQZGE-OAHLLOKOSA-N -1 1 313.397 3.575 20 0 DHADMM CC(C)c1cncc(NC(=O)Cc2ccc([O-])c(Cl)c2)c1 ZINC000888235326 1032286278 /nfs/dbraw/zinc/28/62/78/1032286278.db2.gz KHXFIKRRLBIWSY-UHFFFAOYSA-N -1 1 304.777 3.745 20 0 DHADMM Cc1ccc(C)c([N-]S(=O)(=O)c2cccc3ncccc32)c1 ZINC000120000653 1032337268 /nfs/dbraw/zinc/33/72/68/1032337268.db2.gz ZKTCGMFXJNLXEW-UHFFFAOYSA-N -1 1 312.394 3.652 20 0 DHADMM C[C@H]1CCN(C(=O)c2ccc(F)c([O-])c2)[C@H](c2ccco2)C1 ZINC001147922199 1032352366 /nfs/dbraw/zinc/35/23/66/1032352366.db2.gz ILRIKJKSMLMQEK-FZMZJTMJSA-N -1 1 303.333 3.738 20 0 DHADMM O=C(Nc1ccc(Nc2ccccc2)cn1)c1cc(F)ccc1[O-] ZINC001148207747 1032373523 /nfs/dbraw/zinc/37/35/23/1032373523.db2.gz GAJOXRRLNIYDRT-UHFFFAOYSA-N -1 1 323.327 3.922 20 0 DHADMM COc1cc2ccc(NC(=O)c3ccccc3[O-])cc2cc1OC ZINC001148208731 1032373594 /nfs/dbraw/zinc/37/35/94/1032373594.db2.gz VGRGDHCDYGMWBE-UHFFFAOYSA-N -1 1 323.348 3.815 20 0 DHADMM CCc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cn1 ZINC001148795140 1032445471 /nfs/dbraw/zinc/44/54/71/1032445471.db2.gz VZBYHRXDSDMENB-UHFFFAOYSA-N -1 1 310.275 3.621 20 0 DHADMM CN(CC(F)(F)F)C(=O)c1cccc(-c2ccccc2)c1[O-] ZINC001148861088 1032448790 /nfs/dbraw/zinc/44/87/90/1032448790.db2.gz KFPPKDDNIKTCKW-UHFFFAOYSA-N -1 1 309.287 3.694 20 0 DHADMM [O-]c1ccc(-c2nc(CSCc3ccco3)no2)c(F)c1 ZINC000350578825 1017301845 /nfs/dbraw/zinc/30/18/45/1017301845.db2.gz KHPBUDJIFUMUPK-UHFFFAOYSA-N -1 1 306.318 3.608 20 0 DHADMM O=C(c1ncc2ccccc2c1[O-])N1CCC[C@H]1C1CCCC1 ZINC000666943015 1032574853 /nfs/dbraw/zinc/57/48/53/1032574853.db2.gz UHAFHCRWLPODQP-INIZCTEOSA-N -1 1 310.397 3.735 20 0 DHADMM COc1ccc(Cl)cc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000067738925 1012096694 /nfs/dbraw/zinc/09/66/94/1012096694.db2.gz KHHBTYPBYHLPAS-UHFFFAOYSA-N -1 1 312.152 3.960 20 0 DHADMM O=C([O-])C[C@@H](NCc1sccc1Cl)c1cccs1 ZINC000394140265 1012364726 /nfs/dbraw/zinc/36/47/26/1012364726.db2.gz UHXXYJPCXLQIMI-SECBINFHSA-N -1 1 301.820 3.769 20 0 DHADMM CCCc1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000007055784 1013035389 /nfs/dbraw/zinc/03/53/89/1013035389.db2.gz IGGLAIKGSMPDOT-UHFFFAOYSA-N -1 1 317.410 3.643 20 0 DHADMM CN(CCCC(=O)[O-])c1ccnc2cc(C(F)(F)F)ccc21 ZINC000416422611 1017221702 /nfs/dbraw/zinc/22/17/02/1017221702.db2.gz NBDLPQCVDPMJPA-UHFFFAOYSA-N -1 1 312.291 3.555 20 0 DHADMM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)c2ccc(Cl)cc2[O-])o1 ZINC000614755035 1017394584 /nfs/dbraw/zinc/39/45/84/1017394584.db2.gz UNBXWVVUPHJNBL-RNCFNFMXSA-N -1 1 305.761 3.692 20 0 DHADMM CC(C)[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000444524110 1017562254 /nfs/dbraw/zinc/56/22/54/1017562254.db2.gz PILNMCYJDVURQB-LLVKDONJSA-N -1 1 315.335 3.919 20 0 DHADMM COC[C@@H](NCc1cccc([O-])c1Cl)c1cccc(OC)c1 ZINC000657613147 1017574197 /nfs/dbraw/zinc/57/41/97/1017574197.db2.gz RUYGOGOKVRQMKP-OAHLLOKOSA-N -1 1 321.804 3.532 20 0 DHADMM CCc1nc(Cc2nc(-c3ccc([O-])cc3Cl)no2)cs1 ZINC000445447471 1017865720 /nfs/dbraw/zinc/86/57/20/1017865720.db2.gz HSIGMLRCGSLLQA-UHFFFAOYSA-N -1 1 321.789 3.705 20 0 DHADMM Cc1cccnc1/C=C/c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445447525 1017866258 /nfs/dbraw/zinc/86/62/58/1017866258.db2.gz HWLYNUCLYZCBRU-VOTSOKGWSA-N -1 1 313.744 3.969 20 0 DHADMM CCc1ccc(/C=C\c2nc(-c3ccc([O-])cc3F)no2)o1 ZINC000445466276 1017870375 /nfs/dbraw/zinc/87/03/75/1017870375.db2.gz YONLYMOMQIQQLU-VURMDHGXSA-N -1 1 300.289 3.907 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cccc(OC(F)F)c3)n2)cc1F ZINC000445477587 1017873172 /nfs/dbraw/zinc/87/31/72/1017873172.db2.gz DBYUUNDHMSPJKY-UHFFFAOYSA-N -1 1 322.242 3.850 20 0 DHADMM CSc1ccccc1Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445481085 1017876999 /nfs/dbraw/zinc/87/69/99/1017876999.db2.gz ODEBRGDSWHTKAD-UHFFFAOYSA-N -1 1 316.357 3.894 20 0 DHADMM [O-]c1ccc(-c2noc(C3(Cc4ccccc4)CC3)n2)cc1F ZINC000445478190 1017877049 /nfs/dbraw/zinc/87/70/49/1017877049.db2.gz CURBEIHLLWFRLB-UHFFFAOYSA-N -1 1 310.328 3.856 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1ccc(Br)s1 ZINC000674361797 1017966734 /nfs/dbraw/zinc/96/67/34/1017966734.db2.gz ULRDWOUSBXZSCT-UHFFFAOYSA-N -1 1 316.151 3.608 20 0 DHADMM COc1ccc2nc(-c3ccc(OC(C)(C)C)cc3)[n-]c(=O)c2c1 ZINC000485351902 1018093617 /nfs/dbraw/zinc/09/36/17/1018093617.db2.gz SGZQLIZRDMOQDR-UHFFFAOYSA-N -1 1 324.380 3.776 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H](c2nccs2)C1 ZINC000114630643 1018109110 /nfs/dbraw/zinc/10/91/10/1018109110.db2.gz GTZUNDWKBFGQAU-JTQLQIEISA-N -1 1 322.817 3.522 20 0 DHADMM COc1cc(-c2nc([C@@H]3CCCS3)no2)cc(Cl)c1[O-] ZINC000350599976 1018239497 /nfs/dbraw/zinc/23/94/97/1018239497.db2.gz DDSDKNJKLWJIKY-JTQLQIEISA-N -1 1 312.778 3.672 20 0 DHADMM O=C([N-]Oc1ccccc1F)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000874912848 1032757592 /nfs/dbraw/zinc/75/75/92/1032757592.db2.gz UAXVCAQRSKPDSO-UWVGGRQHSA-N -1 1 305.271 3.604 20 0 DHADMM Cc1cc(C=C2SC(=O)[N-]C2=O)ccc1Oc1cccnc1 ZINC000874927824 1032764322 /nfs/dbraw/zinc/76/43/22/1032764322.db2.gz LILGOYPMKXYLPW-ZSOIEALJSA-N -1 1 312.350 3.506 20 0 DHADMM C[C@H]1CC[C@H](CCc2nc(-c3ccc([O-])cc3Cl)no2)O1 ZINC000278267748 1018484564 /nfs/dbraw/zinc/48/45/64/1018484564.db2.gz VJALIYCNEHSPMB-GXSJLCMTSA-N -1 1 308.765 3.596 20 0 DHADMM CC(C)[C@@H]1C[C@@H](Cc2nc(-c3ccc([O-])cc3F)no2)CCO1 ZINC000278304481 1018542801 /nfs/dbraw/zinc/54/28/01/1018542801.db2.gz XUUGVHPZWXXFGT-NHYWBVRUSA-N -1 1 320.364 3.575 20 0 DHADMM C[C@H]1CCN(Cc2cccc(Cl)c2Cl)C[C@H]1C(=O)[O-] ZINC000583564176 1018562221 /nfs/dbraw/zinc/56/22/21/1018562221.db2.gz DIECKFSTKCGPGF-GXSJLCMTSA-N -1 1 302.201 3.536 20 0 DHADMM Cc1cc(F)ccc1-c1ccc(CN(CC(=O)[O-])C2CCC2)o1 ZINC000656101780 1018793208 /nfs/dbraw/zinc/79/32/08/1018793208.db2.gz UOFSOSXNZKLAOA-UHFFFAOYSA-N -1 1 317.360 3.833 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])c1cccc(C(F)(F)F)c1F ZINC001171632568 1032795373 /nfs/dbraw/zinc/79/53/73/1032795373.db2.gz GHLIQKILAIZYRQ-UHFFFAOYSA-N -1 1 317.213 3.942 20 0 DHADMM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccc(-c2c(F)cccc2F)o1 ZINC000650794046 1018942841 /nfs/dbraw/zinc/94/28/41/1018942841.db2.gz QXEUDZDOAPSIHZ-QMTHXVAHSA-N -1 1 321.323 3.662 20 0 DHADMM Cc1oc(CN2CC[C@@H](c3c(F)cccc3F)C2)cc1C(=O)[O-] ZINC000565106059 1018971929 /nfs/dbraw/zinc/97/19/29/1018971929.db2.gz QROUPVAGVNCKTQ-LLVKDONJSA-N -1 1 321.323 3.554 20 0 DHADMM Cc1cccc([O-])c1C(=O)Nc1ccc(C(=O)C(F)(F)F)cc1 ZINC001171622762 1032801771 /nfs/dbraw/zinc/80/17/71/1032801771.db2.gz WSFILFIJWRKPJY-UHFFFAOYSA-N -1 1 323.270 3.698 20 0 DHADMM COc1ccc(C(=O)Nc2cccc(F)c2[O-])cc1C1CC1 ZINC001171635794 1032836413 /nfs/dbraw/zinc/83/64/13/1032836413.db2.gz BKOLINMSMMCGDN-UHFFFAOYSA-N -1 1 301.317 3.670 20 0 DHADMM C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2)CC[C@H]1C(=O)[O-] ZINC000311609971 1019693858 /nfs/dbraw/zinc/69/38/58/1019693858.db2.gz QESNFIGWBAYSPJ-NOZJJQNGSA-N -1 1 302.201 3.536 20 0 DHADMM C[C@@H](CN(C)C(=O)c1c([O-])cccc1Cl)c1ccccc1 ZINC000727488947 1019725239 /nfs/dbraw/zinc/72/52/39/1019725239.db2.gz CGQZVDSHIPEMSO-LBPRGKRZSA-N -1 1 303.789 3.921 20 0 DHADMM [O-]c1ccc(-c2noc(-c3coc(C4CCC4)n3)n2)c(F)c1 ZINC000685365819 1019772302 /nfs/dbraw/zinc/77/23/02/1019772302.db2.gz JQACSYCXVUPJSM-UHFFFAOYSA-N -1 1 301.277 3.504 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2C[C@H]2C(C)C)c1 ZINC000477491465 1032853908 /nfs/dbraw/zinc/85/39/08/1032853908.db2.gz FMDUHRQDTNJJAZ-VHSXEESVSA-N -1 1 312.207 3.694 20 0 DHADMM CC[C@H](c1ccccc1OC)N(C)C(=O)c1ccc([O-])c(F)c1 ZINC000673387270 1019851971 /nfs/dbraw/zinc/85/19/71/1019851971.db2.gz WJSKQNIXZPSLQQ-OAHLLOKOSA-N -1 1 317.360 3.763 20 0 DHADMM O=C(c1ccc([O-])c(F)c1)N1CCCn2c(cc3ccccc32)C1 ZINC000673396637 1019868069 /nfs/dbraw/zinc/86/80/69/1019868069.db2.gz MFHWZAITXPGLFV-UHFFFAOYSA-N -1 1 324.355 3.532 20 0 DHADMM CC1(C)CN(C(=O)c2ccc([O-])c(F)c2)[C@@H]1c1cccs1 ZINC000673396109 1019871577 /nfs/dbraw/zinc/87/15/77/1019871577.db2.gz UYWUMQMNBKCRQV-CQSZACIVSA-N -1 1 305.374 3.816 20 0 DHADMM C[C@H]1CN(C(=O)c2ccc(Cl)cc2[O-])Cc2ccccc21 ZINC000922252747 1019933332 /nfs/dbraw/zinc/93/33/32/1019933332.db2.gz LYXWERJHFKGJLB-NSHDSACASA-N -1 1 301.773 3.805 20 0 DHADMM Cc1ccc(C(=O)Nc2c([O-])cccc2F)cc1Br ZINC000080098294 1019945474 /nfs/dbraw/zinc/94/54/74/1019945474.db2.gz LXUVESBVCKVCRP-UHFFFAOYSA-N -1 1 324.149 3.855 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2nnc(C(F)F)s2)c([O-])c1 ZINC000143440407 1019947494 /nfs/dbraw/zinc/94/74/94/1019947494.db2.gz XFPVIPYSMKGMTR-UHFFFAOYSA-N -1 1 313.329 3.557 20 0 DHADMM Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)c1ncccc1[O-] ZINC000673460407 1019962597 /nfs/dbraw/zinc/96/25/97/1019962597.db2.gz GVIANGSNKHBCKM-OAHLLOKOSA-N -1 1 312.413 3.955 20 0 DHADMM CN(CCc1ccccc1F)C(=O)c1ccc2ccccc2c1[O-] ZINC000731593567 1020123729 /nfs/dbraw/zinc/12/37/29/1020123729.db2.gz ZYRJPYLWWSFSRG-UHFFFAOYSA-N -1 1 323.367 3.999 20 0 DHADMM CC(C)c1ocnc1C(=O)[N-]c1nc(-c2ccccc2)ns1 ZINC000731876965 1020162285 /nfs/dbraw/zinc/16/22/85/1020162285.db2.gz MGASFASWDOSMFA-UHFFFAOYSA-N -1 1 314.370 3.569 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(Cl)c(Cl)[nH]1 ZINC000085204414 1020294578 /nfs/dbraw/zinc/29/45/78/1020294578.db2.gz IHPQKHZYSCJIDO-UHFFFAOYSA-N -1 1 305.548 3.933 20 0 DHADMM Cc1ccc(OCCCC(=O)Nc2c([O-])cccc2F)cc1C ZINC000673756494 1020477141 /nfs/dbraw/zinc/47/71/41/1020477141.db2.gz QVSGBLNVWSQPHD-UHFFFAOYSA-N -1 1 317.360 3.946 20 0 DHADMM O=C1[N-]C(=S)S/C1=C\c1cc(Cl)cc(C(F)(F)F)c1 ZINC000186959763 1020618206 /nfs/dbraw/zinc/61/82/06/1020618206.db2.gz SBNGOWNTKMYETD-BAQGIRSFSA-N -1 1 323.748 3.848 20 0 DHADMM O=c1nc(N[C@H]2CCC[C@H](c3ccccc3)C2)cc(Cl)[n-]1 ZINC000858514627 1032928645 /nfs/dbraw/zinc/92/86/45/1032928645.db2.gz VGCHUJISUWSTHF-STQMWFEESA-N -1 1 303.793 3.974 20 0 DHADMM CC(C)[C@H](CNc1cc(Cl)[n-]c(=O)n1)Cc1ccccc1 ZINC000858508867 1032926757 /nfs/dbraw/zinc/92/67/57/1032926757.db2.gz IIWMEHQCYQZWCC-ZDUSSCGKSA-N -1 1 305.809 3.762 20 0 DHADMM O=c1nc(N2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)cc(Cl)[n-]1 ZINC000858532039 1032934272 /nfs/dbraw/zinc/93/42/72/1032934272.db2.gz FWTUWDUYNGADIT-BTTYYORXSA-N -1 1 315.804 3.751 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N(C[C@@H]1CCCO1)C1CCCC1 ZINC000174535652 1020980954 /nfs/dbraw/zinc/98/09/54/1020980954.db2.gz FLGJMCYAFCLQIN-AWEZNQCLSA-N -1 1 323.820 3.609 20 0 DHADMM CCS[C@H]1CC[C@@H](N(C)C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000175392364 1021042692 /nfs/dbraw/zinc/04/26/92/1021042692.db2.gz POUXKDDLAZOSPM-NEPJUHHUSA-N -1 1 313.850 3.792 20 0 DHADMM CC(C)(C)C(F)(F)CNC(=O)c1ccc2ccccc2c1[O-] ZINC001167706842 1021182802 /nfs/dbraw/zinc/18/28/02/1021182802.db2.gz QQCXJVNBTFDLDN-UHFFFAOYSA-N -1 1 307.340 3.957 20 0 DHADMM COc1ccc(CCC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000067739050 1021196172 /nfs/dbraw/zinc/19/61/72/1021196172.db2.gz IWSKRIQWZFFCKD-UHFFFAOYSA-N -1 1 305.761 3.626 20 0 DHADMM Cc1ccc(NC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001202434996 1021253361 /nfs/dbraw/zinc/25/33/61/1021253361.db2.gz XHBDODIJXHYFNK-UHFFFAOYSA-N -1 1 308.341 3.530 20 0 DHADMM C[C@H](CCC(C)(C)C)[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000605593443 1021274061 /nfs/dbraw/zinc/27/40/61/1021274061.db2.gz QIZKOJUJBCRIFL-SECBINFHSA-N -1 1 323.380 3.597 20 0 DHADMM CCc1cc(=O)[n-]c(SC[C@@H]2[C@@H](c3ccccc3)C2(F)F)n1 ZINC000917507685 1021282652 /nfs/dbraw/zinc/28/26/52/1021282652.db2.gz FIZOZTVXIWASHW-TZMCWYRMSA-N -1 1 322.380 3.886 20 0 DHADMM CCC(CC)c1cc(CNC(=O)c2c([O-])cccc2Cl)on1 ZINC000743688404 1021350106 /nfs/dbraw/zinc/35/01/06/1021350106.db2.gz XORMSUSSOQUSHB-UHFFFAOYSA-N -1 1 322.792 3.867 20 0 DHADMM Cc1cnc(SCc2cccc(OC(C)(C)C)c2)[n-]c1=O ZINC000917777355 1021360728 /nfs/dbraw/zinc/36/07/28/1021360728.db2.gz FLTIQCMXFNWJAH-UHFFFAOYSA-N -1 1 304.415 3.960 20 0 DHADMM CCc1nc(SCc2nsc3ccccc23)[n-]c(=O)c1C ZINC000917843890 1021373137 /nfs/dbraw/zinc/37/31/37/1021373137.db2.gz STIWDABJFURVAO-UHFFFAOYSA-N -1 1 317.439 3.955 20 0 DHADMM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000108792251 1021377361 /nfs/dbraw/zinc/37/73/61/1021377361.db2.gz IENGPJWCKHVZJP-RCCFBDPRSA-N -1 1 311.381 3.518 20 0 DHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCC[C@H]1C1CCC1 ZINC000670416464 1021382572 /nfs/dbraw/zinc/38/25/72/1021382572.db2.gz POEBQBZIPQAKAY-ZDUSSCGKSA-N -1 1 313.319 3.816 20 0 DHADMM C[C@@H](CNC(=O)c1ccc(C(F)(F)F)c([O-])c1)c1ccccc1 ZINC000670420234 1021388142 /nfs/dbraw/zinc/38/81/42/1021388142.db2.gz WKDVDCVQLUWBPH-NSHDSACASA-N -1 1 323.314 3.945 20 0 DHADMM O=C(N[C@@H]1CCCc2sccc21)c1cc(Cl)ccc1[O-] ZINC000061367905 1021575121 /nfs/dbraw/zinc/57/51/21/1021575121.db2.gz SRXJAIODEFVBFS-GFCCVEGCSA-N -1 1 307.802 3.915 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)CCCC(C)(C)C)c1 ZINC000744960999 1021629467 /nfs/dbraw/zinc/62/94/67/1021629467.db2.gz YAQUGGJPJUPSOB-UHFFFAOYSA-N -1 1 306.402 3.897 20 0 DHADMM CC[C@@H](CC(=O)OCCc1cc(C(C)=O)ccc1[O-])C(C)C ZINC000744967845 1021630054 /nfs/dbraw/zinc/63/00/54/1021630054.db2.gz DLFFHXVFOFOBJJ-AWEZNQCLSA-N -1 1 306.402 3.753 20 0 DHADMM CCc1cnc(COC(=O)c2ccc(Cl)c(Cl)c2[O-])o1 ZINC000744981294 1021632651 /nfs/dbraw/zinc/63/26/51/1021632651.db2.gz YNKZLHPPWNBBAG-UHFFFAOYSA-N -1 1 316.140 3.606 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC2(CCCC2=O)CC1 ZINC000619334620 1021720292 /nfs/dbraw/zinc/72/02/92/1021720292.db2.gz XCUDFJPHSZNUQV-UHFFFAOYSA-N -1 1 323.392 3.521 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1c(F)ccc(F)c1F ZINC000185402232 1021934996 /nfs/dbraw/zinc/93/49/96/1021934996.db2.gz FFYCDRPSLLLPBH-UHFFFAOYSA-N -1 1 301.651 3.715 20 0 DHADMM CC(C)(c1ccc(NC(=O)c2cncc([O-])c2)cc1)C(F)(F)F ZINC000557025686 1022022509 /nfs/dbraw/zinc/02/25/09/1022022509.db2.gz PBBASAICRLAMMR-UHFFFAOYSA-N -1 1 324.302 3.879 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)c1ccc(Cl)cc1F ZINC001625894226 1022038883 /nfs/dbraw/zinc/03/88/83/1022038883.db2.gz SWLXQMZZXOEURD-UHFFFAOYSA-N -1 1 301.651 3.715 20 0 DHADMM CCOc1ccc([C@@H](C)NC(=O)c2c([O-])cccc2Cl)cc1 ZINC000920436806 1022128002 /nfs/dbraw/zinc/12/80/02/1022128002.db2.gz GZZUHHWFCWWKED-LLVKDONJSA-N -1 1 319.788 3.935 20 0 DHADMM CC(C)Oc1c(F)cc(F)c(Nc2ncc(F)cc2[O-])c1F ZINC001212643638 1033034857 /nfs/dbraw/zinc/03/48/57/1033034857.db2.gz BYUFQMBTWRWUFN-UHFFFAOYSA-N -1 1 316.254 3.874 20 0 DHADMM Cc1conc1[N-]C(=O)c1ncoc1-c1ccccc1Cl ZINC000154545001 1022306037 /nfs/dbraw/zinc/30/60/37/1022306037.db2.gz QKKXWALUJVHSHO-UHFFFAOYSA-N -1 1 303.705 3.544 20 0 DHADMM O=C([N-]CCCSC[C@@H]1CCCCC1(F)F)C(F)(F)F ZINC000853787124 1022344351 /nfs/dbraw/zinc/34/43/51/1022344351.db2.gz WVQMAEGGXGPULX-VIFPVBQESA-N -1 1 319.339 3.614 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H]1[C@@H]1CCCC1=O ZINC000272144115 1022492017 /nfs/dbraw/zinc/49/20/17/1022492017.db2.gz DXIXOBDKOXLQNB-RDJZCZTQSA-N -1 1 323.392 3.519 20 0 DHADMM CC1(C)Cc2cc(C(=O)Nc3cc([O-])c(F)cc3F)ccc2O1 ZINC001625896207 1022542964 /nfs/dbraw/zinc/54/29/64/1022542964.db2.gz IHGDSQSOSUAGKB-UHFFFAOYSA-N -1 1 319.307 3.636 20 0 DHADMM O=c1cc(C2CC2)nc(SCCC(Cl)(Cl)Cl)[n-]1 ZINC000767081641 1022638158 /nfs/dbraw/zinc/63/81/58/1022638158.db2.gz JZCQPEJPHAKBJF-UHFFFAOYSA-N -1 1 313.637 3.912 20 0 DHADMM O=C(c1ncc2ccccc2c1[O-])N1CCC[C@@H]2CCCC[C@@H]21 ZINC000621208025 1022639513 /nfs/dbraw/zinc/63/95/13/1022639513.db2.gz KSXKJAJPVDERJT-BBRMVZONSA-N -1 1 310.397 3.735 20 0 DHADMM C[C@]1(c2ccccc2)CN(Cc2cccc(Cl)c2[O-])CCO1 ZINC000180203383 1022662797 /nfs/dbraw/zinc/66/27/97/1022662797.db2.gz MJNXVUFRVAEDHI-GOSISDBHSA-N -1 1 317.816 3.793 20 0 DHADMM CCOC(=O)c1c(OC)cccc1-c1cccc(Cl)c1[O-] ZINC001242367612 1022740306 /nfs/dbraw/zinc/74/03/06/1022740306.db2.gz OUGFQZYCZPDOFT-UHFFFAOYSA-N -1 1 306.745 3.898 20 0 DHADMM CSc1c(F)cccc1[N-]C(=O)c1onc2c1CCCC2 ZINC000617274624 1022904207 /nfs/dbraw/zinc/90/42/07/1022904207.db2.gz CPQIZRSOEZDJPQ-UHFFFAOYSA-N -1 1 306.362 3.667 20 0 DHADMM CC(C)n1cc2cc(NC(=O)c3ccc([O-])c(F)c3)ccc2n1 ZINC000768167704 1022911028 /nfs/dbraw/zinc/91/10/28/1022911028.db2.gz XZXBJUVEIFXRRD-UHFFFAOYSA-N -1 1 313.332 3.714 20 0 DHADMM CN(C)c1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000190908736 1022938398 /nfs/dbraw/zinc/93/83/98/1022938398.db2.gz RXIWVHBENAZHLE-UHFFFAOYSA-N -1 1 305.765 3.756 20 0 DHADMM N#CC(=C([O-])C=CC1CCCCC1)c1cnc2ccccc2n1 ZINC000190994926 1022942754 /nfs/dbraw/zinc/94/27/54/1022942754.db2.gz SVQMWBWIHPVYFZ-AUECHBEKSA-N -1 1 305.381 3.943 20 0 DHADMM CSc1nc(Nc2cccc(OC(C)C)c2F)cc(=O)[n-]1 ZINC001212318334 1022973606 /nfs/dbraw/zinc/97/36/06/1022973606.db2.gz UZFAYJPJWIDQOT-UHFFFAOYSA-N -1 1 309.366 3.574 20 0 DHADMM CC1(C)CN(C(=O)c2ccc([O-])c(F)c2)CCc2ccccc21 ZINC000617518547 1022975385 /nfs/dbraw/zinc/97/53/85/1022975385.db2.gz ODBJAQVCIZOOJG-UHFFFAOYSA-N -1 1 313.372 3.507 20 0 DHADMM O=C([N-]c1c(F)cccc1F)c1cnc([C@H]2CCCO2)s1 ZINC000089718703 1023098708 /nfs/dbraw/zinc/09/87/08/1023098708.db2.gz JOXULZNUWGHJEY-SNVBAGLBSA-N -1 1 310.325 3.525 20 0 DHADMM COc1cc(F)ccc1NC(=O)c1ccc(C(C)C)cc1[O-] ZINC000622299564 1023106776 /nfs/dbraw/zinc/10/67/76/1023106776.db2.gz DMRHSKJWIPYYII-UHFFFAOYSA-N -1 1 303.333 3.916 20 0 DHADMM Cc1ccccc1CC(C)(C)NC(=O)c1c([O-])cccc1F ZINC000622352143 1023123545 /nfs/dbraw/zinc/12/35/45/1023123545.db2.gz PQKMXXAGJVSHBY-UHFFFAOYSA-N -1 1 301.361 3.591 20 0 DHADMM CCC(C)(C)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000769649841 1023190604 /nfs/dbraw/zinc/19/06/04/1023190604.db2.gz ALNPLMRRARBZCN-UHFFFAOYSA-N -1 1 322.405 3.658 20 0 DHADMM CN(C(=O)c1c([O-])cccc1Cl)[C@@H]1CCc2ccccc21 ZINC000769652392 1023192973 /nfs/dbraw/zinc/19/29/73/1023192973.db2.gz DATGFFQBKITHGL-CQSZACIVSA-N -1 1 301.773 3.805 20 0 DHADMM COc1ccccc1C(C)(C)NC(=O)c1c([O-])cccc1Cl ZINC000769763669 1023203059 /nfs/dbraw/zinc/20/30/59/1023203059.db2.gz ZRSQONFZKZDQMP-UHFFFAOYSA-N -1 1 319.788 3.719 20 0 DHADMM Cc1csc(C2(NC(=O)c3c([O-])cccc3Cl)CCC2)n1 ZINC000769857994 1023220085 /nfs/dbraw/zinc/22/00/85/1023220085.db2.gz CJWNBSDRIDCGSR-UHFFFAOYSA-N -1 1 322.817 3.620 20 0 DHADMM O=C([N-]c1nc(-c2ccccc2)ns1)c1csc(Cl)n1 ZINC000771623888 1023457464 /nfs/dbraw/zinc/45/74/64/1023457464.db2.gz RLELAFZZZHGSKT-UHFFFAOYSA-N -1 1 322.802 3.567 20 0 DHADMM Cc1ccc(CC(=O)Nc2cc(C)cc(Br)c2[O-])o1 ZINC000538699710 1033136710 /nfs/dbraw/zinc/13/67/10/1033136710.db2.gz GGRBBWURLKZSEI-UHFFFAOYSA-N -1 1 324.174 3.546 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCCC(F)(F)CC1 ZINC000628634927 1023534412 /nfs/dbraw/zinc/53/44/12/1023534412.db2.gz XRDRQLNAMSXGPK-UHFFFAOYSA-N -1 1 323.261 3.672 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCC[C@@H](C)CC(C)(C)C ZINC000785763064 1023616859 /nfs/dbraw/zinc/61/68/59/1023616859.db2.gz WULALDBEVUDMGO-GFCCVEGCSA-N -1 1 321.465 3.806 20 0 DHADMM O=C(Nc1ccc(-c2ccccc2)cc1F)c1cncc([O-])c1 ZINC000785835110 1023623998 /nfs/dbraw/zinc/62/39/98/1023623998.db2.gz ORISDXDOFREJMQ-UHFFFAOYSA-N -1 1 308.312 3.846 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1F ZINC000048652633 1023801198 /nfs/dbraw/zinc/80/11/98/1023801198.db2.gz BLKRDCHRAHZIDH-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000048653738 1023802555 /nfs/dbraw/zinc/80/25/55/1023802555.db2.gz ALAHXPSRJBXJRN-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM C[C@H](CNC(=O)c1cc2ccccc2cc1[O-])c1nccs1 ZINC000184306204 1023835675 /nfs/dbraw/zinc/83/56/75/1023835675.db2.gz GGWMFOXSEIVHDK-LLVKDONJSA-N -1 1 312.394 3.535 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])[C@H](c1ccccc1)C1CC1 ZINC000788158992 1023859465 /nfs/dbraw/zinc/85/94/65/1023859465.db2.gz RFLHGYBQIXOUSF-CQSZACIVSA-N -1 1 302.761 3.573 20 0 DHADMM C[C@@H](N(C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)C1(C)CC1 ZINC000652440317 1023867479 /nfs/dbraw/zinc/86/74/79/1023867479.db2.gz LGTBGSIDGCJPQD-GFCCVEGCSA-N -1 1 314.385 3.660 20 0 DHADMM O=C(NCC1(c2ccccc2F)CCC1)c1ccc([O-])c(F)c1 ZINC000652521444 1023902944 /nfs/dbraw/zinc/90/29/44/1023902944.db2.gz SYGVUZCVEXYYOM-UHFFFAOYSA-N -1 1 317.335 3.522 20 0 DHADMM CN(Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)C[C@@H]1CC1(C)C ZINC000663316821 1024088571 /nfs/dbraw/zinc/08/85/71/1024088571.db2.gz HPHKBFXKDPRRGM-AWEZNQCLSA-N -1 1 314.385 3.518 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])c1csc2ccccc12 ZINC000789930202 1024183831 /nfs/dbraw/zinc/18/38/31/1024183831.db2.gz IBFWGTPOQGPICG-UHFFFAOYSA-N -1 1 304.758 3.908 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])C1(c2cccc(Cl)c2)CC1 ZINC000789930473 1024183965 /nfs/dbraw/zinc/18/39/65/1024183965.db2.gz QDIPPDRNILAGBT-UHFFFAOYSA-N -1 1 323.179 3.764 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000789930530 1024184517 /nfs/dbraw/zinc/18/45/17/1024184517.db2.gz VEFATPGOANVOEO-UHFFFAOYSA-N -1 1 316.666 3.712 20 0 DHADMM Cc1oc2ccccc2c1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790050488 1024213108 /nfs/dbraw/zinc/21/31/08/1024213108.db2.gz BXOJLXKTKMZNQV-UHFFFAOYSA-N -1 1 302.717 3.748 20 0 DHADMM C[C@@H](NC(=O)c1c([O-])cccc1Cl)[C@H](C)c1ccccc1 ZINC000746893193 1024271421 /nfs/dbraw/zinc/27/14/21/1024271421.db2.gz BHRLWDLKXNPVHH-NWDGAFQWSA-N -1 1 303.789 3.968 20 0 DHADMM C/C=C/C[C@H]1CCCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000626162214 1024309701 /nfs/dbraw/zinc/30/97/01/1024309701.db2.gz QNTXIDZIBVXEQV-JDGPPOGSSA-N -1 1 303.431 3.575 20 0 DHADMM CCc1cc(O)ccc1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000791158272 1024446941 /nfs/dbraw/zinc/44/69/41/1024446941.db2.gz WXDOOKMMKKJJNR-UHFFFAOYSA-N -1 1 321.760 3.575 20 0 DHADMM O=C(NCc1ccnc(Cl)c1)c1cc2ccccc2cc1[O-] ZINC001299332135 1024512461 /nfs/dbraw/zinc/51/24/61/1024512461.db2.gz YDQWYZHNNLCYEC-UHFFFAOYSA-N -1 1 312.756 3.524 20 0 DHADMM CSc1c(F)cccc1[N-]C(=O)c1noc2c1CCCC2 ZINC000617275704 1025276925 /nfs/dbraw/zinc/27/69/25/1025276925.db2.gz HPBJGKGZOIOWRP-UHFFFAOYSA-N -1 1 306.362 3.667 20 0 DHADMM CC(C)[C@H]1C[C@H](C(=O)Nc2cc(F)c([O-])cc2Cl)CCO1 ZINC000885682207 1025379980 /nfs/dbraw/zinc/37/99/80/1025379980.db2.gz LETWROGZSWYLDG-YMTOWFKASA-N -1 1 315.772 3.574 20 0 DHADMM CC1(C)CO[C@@H](CCC(=O)Nc2cc(F)c([O-])cc2Cl)C1 ZINC000885679991 1025381233 /nfs/dbraw/zinc/38/12/33/1025381233.db2.gz JOQYZGVKRIMWJD-VIFPVBQESA-N -1 1 315.772 3.719 20 0 DHADMM Cc1nn(C(C)C)cc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885679476 1025381470 /nfs/dbraw/zinc/38/14/70/1025381470.db2.gz AKPRQXNEQLBOME-UHFFFAOYSA-N -1 1 311.744 3.523 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)C1(C(F)F)CCCC1 ZINC000885678591 1025382449 /nfs/dbraw/zinc/38/24/49/1025382449.db2.gz SFGUDNCYWKMODY-UHFFFAOYSA-N -1 1 307.699 3.949 20 0 DHADMM C[C@H]1c2ccccc2CCN1C(=O)c1cc(Cl)ccc1[O-] ZINC001137225447 1025467661 /nfs/dbraw/zinc/46/76/61/1025467661.db2.gz PONIETNICOKRGM-NSHDSACASA-N -1 1 301.773 3.805 20 0 DHADMM COc1cccc(SC)c1[N-]C(=O)c1csc(Cl)n1 ZINC001129981841 1025499934 /nfs/dbraw/zinc/49/99/34/1025499934.db2.gz NKBMNSDLBQIDGQ-UHFFFAOYSA-N -1 1 314.819 3.779 20 0 DHADMM CCc1ccc(CN[C@@H](CCC(=O)[O-])c2ccc(OC)cc2)o1 ZINC000426726053 1025502073 /nfs/dbraw/zinc/50/20/73/1025502073.db2.gz GSKXPGYDXSKXQL-KRWDZBQOSA-N -1 1 317.385 3.546 20 0 DHADMM Cc1cc2cc(CNC(=O)c3c([O-])cccc3Cl)ccc2[nH]1 ZINC000804886919 1025507033 /nfs/dbraw/zinc/50/70/33/1025507033.db2.gz SZWOMYLBCNUJET-UHFFFAOYSA-N -1 1 314.772 3.765 20 0 DHADMM Cc1nc2cccc(C(=O)Nc3cc(Cl)c([O-])cc3F)c2[nH]1 ZINC000805255028 1025565448 /nfs/dbraw/zinc/56/54/48/1025565448.db2.gz LDEMCLQPGLPREK-UHFFFAOYSA-N -1 1 319.723 3.622 20 0 DHADMM O=C(Nc1cc(Cl)c([O-])cc1F)c1cc(Cl)ccc1O ZINC000805257970 1025569324 /nfs/dbraw/zinc/56/93/24/1025569324.db2.gz BBMAOEQZZNLBTR-UHFFFAOYSA-N -1 1 316.115 3.796 20 0 DHADMM O=c1c2c([n-]n1Cc1cccc(C(F)(F)F)c1)CCCCC2 ZINC000614186552 1025835405 /nfs/dbraw/zinc/83/54/05/1025835405.db2.gz BVTHSDZQIDYSKA-CYBMUJFWSA-N -1 1 310.319 3.984 20 0 DHADMM CCc1nnsc1C(=O)[N-]c1cc(Cl)ccc1SC ZINC000064848473 1025950052 /nfs/dbraw/zinc/95/00/52/1025950052.db2.gz ZXYATTJLJAOBRQ-UHFFFAOYSA-N -1 1 313.835 3.728 20 0 DHADMM O=C([N-]OCC(F)F)C1(Cc2cccc(F)c2)CCCCC1 ZINC000807245136 1026041703 /nfs/dbraw/zinc/04/17/03/1026041703.db2.gz DDCVMFQEVVJRNR-UHFFFAOYSA-N -1 1 315.335 3.632 20 0 DHADMM COc1cccc([C@H]2CCCN2C(=O)c2cc(F)ccc2[O-])c1 ZINC000093910190 1026132989 /nfs/dbraw/zinc/13/29/89/1026132989.db2.gz FFOQBEXPTQJYJN-MRXNPFEDSA-N -1 1 315.344 3.517 20 0 DHADMM C[C@H]1c2cc(Cl)cc(Cl)c2CCN1CCCC(=O)[O-] ZINC000262219872 1026483384 /nfs/dbraw/zinc/48/33/84/1026483384.db2.gz KCYAOCWGIRAURX-VIFPVBQESA-N -1 1 302.201 3.777 20 0 DHADMM C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1CCCC(=O)[O-] ZINC000262219868 1026483710 /nfs/dbraw/zinc/48/37/10/1026483710.db2.gz KCYAOCWGIRAURX-SECBINFHSA-N -1 1 302.201 3.777 20 0 DHADMM C[C@H]1CC[C@H](c2nc(=O)c3cc(C(F)(F)F)sc3[n-]2)O1 ZINC000630386102 1026534400 /nfs/dbraw/zinc/53/44/00/1026534400.db2.gz TXPKCSKFOUVEPR-CAHLUQPWSA-N -1 1 304.293 3.656 20 0 DHADMM CC(C)c1cnc(CSc2nc(C(F)F)cc(=O)[n-]2)o1 ZINC000809985622 1026654191 /nfs/dbraw/zinc/65/41/91/1026654191.db2.gz RDLAWVSXERKBLC-UHFFFAOYSA-N -1 1 301.318 3.524 20 0 DHADMM CCC[C@@H](C)c1cc(NC(=O)c2c(F)ccc([O-])c2F)n[nH]1 ZINC000280723552 1026697803 /nfs/dbraw/zinc/69/78/03/1026697803.db2.gz HQVSTDMRVNSMEP-MRVPVSSYSA-N -1 1 309.316 3.549 20 0 DHADMM O=C([N-]OCC(F)F)C1(Cc2cccs2)CCCCC1 ZINC000811053124 1026922011 /nfs/dbraw/zinc/92/20/11/1026922011.db2.gz IQQMRCZTUVDQHR-UHFFFAOYSA-N -1 1 303.374 3.554 20 0 DHADMM CC1(C)CCc2sc(NC(=O)c3c(F)ccc([O-])c3F)nc21 ZINC000421956703 1027090149 /nfs/dbraw/zinc/09/01/49/1027090149.db2.gz GYPKCQXVFBUYSP-UHFFFAOYSA-N -1 1 324.352 3.603 20 0 DHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1(C(F)F)CCCC1 ZINC000572122826 1027172340 /nfs/dbraw/zinc/17/23/40/1027172340.db2.gz UFNNTOPXKFWSBD-UHFFFAOYSA-N -1 1 321.327 3.546 20 0 DHADMM Cc1nc(-c2ccc(N[C@H]3CC4CCC3CC4)nc2)[n-]c(=O)c1C ZINC000572097503 1027172568 /nfs/dbraw/zinc/17/25/68/1027172568.db2.gz RLLWIELBQZQNJY-XUJLQICISA-N -1 1 324.428 3.852 20 0 DHADMM [O-]c1cccc(CN2CCO[C@@H](c3cccs3)C2)c1Cl ZINC000295386841 1027248440 /nfs/dbraw/zinc/24/84/40/1027248440.db2.gz PNCNTJDUKYLPIR-CYBMUJFWSA-N -1 1 309.818 3.681 20 0 DHADMM C[C@H](C(=O)[N-]OC/C=C/Cl)c1ccc(Cl)c(Cl)c1 ZINC000812407751 1027284537 /nfs/dbraw/zinc/28/45/37/1027284537.db2.gz YYVYPWFNISGZQN-NCJLJLRUSA-N -1 1 308.592 3.897 20 0 DHADMM COC(=O)c1cc(C(C)=O)c(NC(=O)CCCCC(C)(C)C)[n-]1 ZINC001133688497 1027592886 /nfs/dbraw/zinc/59/28/86/1027592886.db2.gz OCXCVZQXANLUIJ-UHFFFAOYSA-N -1 1 322.405 3.549 20 0 DHADMM O=C(NC1(c2ccc(F)cc2)CCC1)c1c([O-])cccc1Cl ZINC000747876389 1027708652 /nfs/dbraw/zinc/70/86/52/1027708652.db2.gz COAGJWFCJJCLDN-UHFFFAOYSA-N -1 1 319.763 3.994 20 0 DHADMM COc1cnc([C@@H]2CCC[N@H+]2CCCC2CCCCC2)[nH]c1=O ZINC000934277212 1027947740 /nfs/dbraw/zinc/94/77/40/1027947740.db2.gz ZGJJFYBMXIRCMP-HNNXBMFYSA-N -1 1 319.449 3.688 20 0 DHADMM O=C(N[C@H](Cc1ccccc1)c1cccs1)c1cncc([O-])c1 ZINC000116981477 1027984919 /nfs/dbraw/zinc/98/49/19/1027984919.db2.gz BLCDJVLBXVIBPA-MRXNPFEDSA-N -1 1 324.405 3.563 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H]2CC3CCC2CC3)c1 ZINC000814494671 1028078173 /nfs/dbraw/zinc/07/81/73/1028078173.db2.gz XECRFWRCFCUJGC-KVULBXGLSA-N -1 1 316.397 3.507 20 0 DHADMM O=c1cc(CN2CCC3(CC3)CC2)c2cc(Cl)c([O-])cc2o1 ZINC000367563788 1028203885 /nfs/dbraw/zinc/20/38/85/1028203885.db2.gz FPNDEFRTJPPHQS-UHFFFAOYSA-N -1 1 319.788 3.528 20 0 DHADMM O=c1cc(C(F)F)nc(SCCCCC2CCOCC2)[n-]1 ZINC000578804942 1028244744 /nfs/dbraw/zinc/24/47/44/1028244744.db2.gz UDHPAUKRLLJSGB-UHFFFAOYSA-N -1 1 318.389 3.809 20 0 DHADMM CC(C)[C@H]1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C1 ZINC000579208232 1028352836 /nfs/dbraw/zinc/35/28/36/1028352836.db2.gz LTIRSHWCQTVLNL-NSHDSACASA-N -1 1 318.804 3.712 20 0 DHADMM COc1ccc(NCc2cccc([O-])c2Cl)cc1NC(C)=O ZINC000815126591 1028369527 /nfs/dbraw/zinc/36/95/27/1028369527.db2.gz OOFJDERMTDKHPI-UHFFFAOYSA-N -1 1 320.776 3.625 20 0 DHADMM CC(C)n1cc2c(n1)[C@@H](NCc1cccc([O-])c1Cl)CCC2 ZINC000815135271 1028391995 /nfs/dbraw/zinc/39/19/95/1028391995.db2.gz SXQIOPZIJMWXAX-AWEZNQCLSA-N -1 1 319.836 3.990 20 0 DHADMM COC(=O)c1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])cc1 ZINC001135389031 1028743838 /nfs/dbraw/zinc/74/38/38/1028743838.db2.gz JYUDPVKEQQWMSL-UHFFFAOYSA-N -1 1 313.353 3.555 20 0 DHADMM CC(C)([N-]C(=O)C(C)(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000816438973 1028876140 /nfs/dbraw/zinc/87/61/40/1028876140.db2.gz QUKXLYVADNLDMG-UHFFFAOYSA-N -1 1 311.250 3.592 20 0 DHADMM CO[C@@H]1CC[C@@H](C(=O)Nc2cc(Cl)c([O-])c3ccccc23)C1 ZINC000628233483 1028950891 /nfs/dbraw/zinc/95/08/91/1028950891.db2.gz FZYGDHISIVASFU-GHMZBOCLSA-N -1 1 319.788 3.952 20 0 DHADMM [O-]c1ccc(-c2noc([C@H]3C[C@@H]3c3ccco3)n2)c(Cl)c1 ZINC000373168856 1028968408 /nfs/dbraw/zinc/96/84/08/1028968408.db2.gz CNDDAMRPEXGTBG-QWRGUYRKSA-N -1 1 302.717 3.960 20 0 DHADMM C[C@H](C(=O)[N-]OC1CCCCC1)c1cn(C)c2ccccc12 ZINC000779323310 1029095058 /nfs/dbraw/zinc/09/50/58/1029095058.db2.gz MSJIEZXNYOLLRG-ZDUSSCGKSA-N -1 1 300.402 3.662 20 0 DHADMM C[C@@H](C(=O)[N-]OCCC1CC1)c1ccccc1C(F)(F)F ZINC000817383384 1029139940 /nfs/dbraw/zinc/13/99/40/1029139940.db2.gz KXLNBPJEPRDHGV-SNVBAGLBSA-N -1 1 301.308 3.657 20 0 DHADMM Cc1cc([C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])no1 ZINC000373942112 1029172856 /nfs/dbraw/zinc/17/28/56/1029172856.db2.gz ZBCSPLPVTZKVAU-QGZVFWFLSA-N -1 1 322.364 3.819 20 0 DHADMM C[C@H]1CC(F)(F)CCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000628962392 1029198303 /nfs/dbraw/zinc/19/83/03/1029198303.db2.gz MNPGFXICWTYQGR-QMMMGPOBSA-N -1 1 323.261 3.671 20 0 DHADMM Cc1cc(C=O)c([O-])c(C(=O)N[C@H](c2ccccc2)C(C)C)c1 ZINC001135978247 1029233004 /nfs/dbraw/zinc/23/30/04/1029233004.db2.gz LAKRKCMPZPOEOW-KRWDZBQOSA-N -1 1 311.381 3.640 20 0 DHADMM COC(=O)c1c(F)ccc(-c2c(F)ccc([O-])c2Cl)c1F ZINC001245832744 1029343728 /nfs/dbraw/zinc/34/37/28/1029343728.db2.gz UIHPPKWKYGRGNZ-UHFFFAOYSA-N -1 1 316.662 3.917 20 0 DHADMM C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2CCC)c1 ZINC001136116490 1029347835 /nfs/dbraw/zinc/34/78/35/1029347835.db2.gz QVSAKIDJZCYLSO-UHFFFAOYSA-N -1 1 324.380 3.722 20 0 DHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)C1(O)CCCCC1 ZINC000529540431 1029381453 /nfs/dbraw/zinc/38/14/53/1029381453.db2.gz YVLFLMBBWOCCAU-UHFFFAOYSA-N -1 1 319.788 3.833 20 0 DHADMM C[C@H](OCC1CC1)C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529539420 1029400978 /nfs/dbraw/zinc/40/09/78/1029400978.db2.gz RZYHGEJALTUXTB-JTQLQIEISA-N -1 1 319.788 3.952 20 0 DHADMM CON(C(=O)c1ccc([O-])cc1F)[C@H](C)c1ccccc1C ZINC000820032328 1029646663 /nfs/dbraw/zinc/64/66/63/1029646663.db2.gz CTLISCBVMVSRSP-GFCCVEGCSA-N -1 1 303.333 3.605 20 0 DHADMM C[C@H]1CC(F)(F)CCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000530018083 1029719552 /nfs/dbraw/zinc/71/95/52/1029719552.db2.gz YCESEFICDBLZMG-NSHDSACASA-N -1 1 305.324 3.805 20 0 DHADMM O=C(c1cccc([O-])c1F)N(Cc1ccccc1)CC1CCC1 ZINC001136379592 1029774504 /nfs/dbraw/zinc/77/45/04/1029774504.db2.gz DEXXSTNFKJJJJE-UHFFFAOYSA-N -1 1 313.372 3.974 20 0 DHADMM CC(C)N(CCc1ccccc1)C(=O)c1ccc(F)c([O-])c1 ZINC001136436785 1029832107 /nfs/dbraw/zinc/83/21/07/1029832107.db2.gz KBWRTCRAQQCUGR-UHFFFAOYSA-N -1 1 301.361 3.625 20 0 DHADMM COC(=O)c1c[n-]c(S[C@H](C)c2ccc3c(c2)CCC3)n1 ZINC000413005286 1029908789 /nfs/dbraw/zinc/90/87/89/1029908789.db2.gz MIPCJAXBWHLGAD-SNVBAGLBSA-N -1 1 302.399 3.538 20 0 DHADMM O=C(NC1CCC(C(F)(F)F)CC1)c1c(F)ccc([O-])c1F ZINC000290185024 1029937569 /nfs/dbraw/zinc/93/75/69/1029937569.db2.gz ZNHVGPODRWOCOB-UHFFFAOYSA-N -1 1 323.261 3.521 20 0 DHADMM O=C(Nc1nc(C2CCC2)cs1)c1c(F)ccc([O-])c1F ZINC000290192430 1029941151 /nfs/dbraw/zinc/94/11/51/1029941151.db2.gz OXARQSHISMRMQH-UHFFFAOYSA-N -1 1 310.325 3.647 20 0 DHADMM Cc1cccc([C@@H]2CCN(C(=O)c3c(F)ccc([O-])c3F)C2)c1 ZINC000290298849 1029985305 /nfs/dbraw/zinc/98/53/05/1029985305.db2.gz BBIRPOJZLOYVPI-CYBMUJFWSA-N -1 1 317.335 3.609 20 0 DHADMM O=C(Nc1nc2cc(F)c(F)cc2s1)c1ccc([O-])cc1F ZINC001136569453 1029993384 /nfs/dbraw/zinc/99/33/84/1029993384.db2.gz SWABSWLJPNUDDF-UHFFFAOYSA-N -1 1 324.283 3.672 20 0 DHADMM COc1cc(C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1[O-] ZINC000357706407 1030160504 /nfs/dbraw/zinc/16/05/04/1030160504.db2.gz OWJJBOZLCYPFQJ-JTQLQIEISA-N -1 1 305.761 3.545 20 0 DHADMM O=C(Nc1ccc(Oc2ccccc2)cn1)c1cc(F)ccc1[O-] ZINC001136645142 1030160754 /nfs/dbraw/zinc/16/07/54/1030160754.db2.gz XCDOWDUJNGIMJO-UHFFFAOYSA-N -1 1 324.311 3.971 20 0 DHADMM CC(C)(CNC(=O)c1cc(Cl)ccc1[O-])c1cccc(F)c1 ZINC001136750715 1030344139 /nfs/dbraw/zinc/34/41/39/1030344139.db2.gz HCYYBGQONIXXHV-UHFFFAOYSA-N -1 1 321.779 3.892 20 0 DHADMM CC[C@H](C)[C@@H](C)NC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001136855141 1030523054 /nfs/dbraw/zinc/52/30/54/1030523054.db2.gz VTSRSVQYBDQHDF-NWDGAFQWSA-N -1 1 315.369 3.629 20 0 DHADMM CCc1cc(C(=O)N=[S@@](C)(=O)C2CCCCC2)ccc1[O-] ZINC000926033187 1030583565 /nfs/dbraw/zinc/58/35/65/1030583565.db2.gz VPAWJPKXJHJBOF-NRFANRHFSA-N -1 1 309.431 3.525 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)c1conc1C1CCCC1 ZINC000868787669 1030640849 /nfs/dbraw/zinc/64/08/49/1030640849.db2.gz GWXSHFUSFHMBTK-UHFFFAOYSA-N -1 1 308.284 3.568 20 0 DHADMM O=C1CCOc2c(Nc3ccc([O-])c(F)c3F)ccc(F)c21 ZINC001212016490 1030675532 /nfs/dbraw/zinc/67/55/32/1030675532.db2.gz RYYFTEZSGPFZDP-UHFFFAOYSA-N -1 1 309.243 3.518 20 0 DHADMM Cn1c(Nc2cc3ccc([O-])cc3oc2=O)cc2ccccc21 ZINC001212044484 1030729525 /nfs/dbraw/zinc/72/95/25/1030729525.db2.gz GAPVBGBTIHZKSA-UHFFFAOYSA-N -1 1 306.321 3.734 20 0 DHADMM CN(C(=O)c1cc(F)ccc1[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000292009929 1030755745 /nfs/dbraw/zinc/75/57/45/1030755745.db2.gz YPUWPBBUYNIRAD-JGZJWPJOSA-N -1 1 319.298 3.724 20 0 DHADMM CCc1ccc([C@@H](C)C(=O)[N-]OCCCC(F)(F)F)cc1 ZINC000871210865 1031160789 /nfs/dbraw/zinc/16/07/89/1031160789.db2.gz CONOXHVKEGFNEB-LLVKDONJSA-N -1 1 303.324 3.743 20 0 DHADMM CC(C)CN(Cc1ccccn1)C(=O)c1cc(Cl)ccc1[O-] ZINC000928739872 1031371013 /nfs/dbraw/zinc/37/10/13/1031371013.db2.gz NFICYTPKXZYBKY-UHFFFAOYSA-N -1 1 318.804 3.739 20 0 DHADMM Cc1cc([C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])on1 ZINC000536685239 1031392629 /nfs/dbraw/zinc/39/26/29/1031392629.db2.gz IRLNOQGIPZYUGC-MRXNPFEDSA-N -1 1 322.364 3.819 20 0 DHADMM CC(C)(O)COc1ccc(NCc2cccc([O-])c2Cl)cc1 ZINC000293240468 1031394648 /nfs/dbraw/zinc/39/46/48/1031394648.db2.gz LFKPMQVXNHDSTG-UHFFFAOYSA-N -1 1 321.804 3.807 20 0 DHADMM Cc1ccc(-c2nc(CN(CCC(=O)[O-])C3CC3)cs2)cc1 ZINC000314823038 1031543882 /nfs/dbraw/zinc/54/38/82/1031543882.db2.gz ZOPRSJZKZIAGOC-UHFFFAOYSA-N -1 1 316.426 3.558 20 0 DHADMM C[C@]1(C(F)(F)F)CCN(Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC000872166112 1031544768 /nfs/dbraw/zinc/54/47/68/1031544768.db2.gz DIPBUXASSHISLV-ZDUSSCGKSA-N -1 1 321.726 3.813 20 0 DHADMM Cc1nc(SCc2nc(C(F)(F)F)cs2)[n-]c(=O)c1C ZINC000537414246 1031594698 /nfs/dbraw/zinc/59/46/98/1031594698.db2.gz GRJDONGUCYOANE-UHFFFAOYSA-N -1 1 321.349 3.567 20 0 DHADMM Cc1ccc([C@@H](C)C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001144455217 1031612122 /nfs/dbraw/zinc/61/21/22/1031612122.db2.gz PZIXXLZRZAXNDS-CQSZACIVSA-N -1 1 321.380 3.629 20 0 DHADMM C[C@H](Cc1cccs1)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000872822430 1031667534 /nfs/dbraw/zinc/66/75/34/1031667534.db2.gz FOSACPNCOYTQDV-SNVBAGLBSA-N -1 1 324.833 3.538 20 0 DHADMM C[C@H](Cc1ccsc1)NC(=O)NCc1ccc([O-])c(Cl)c1 ZINC000872847402 1031668869 /nfs/dbraw/zinc/66/88/69/1031668869.db2.gz WYMVGHIDAWPXMT-SNVBAGLBSA-N -1 1 324.833 3.538 20 0 DHADMM [O-]c1cc(F)c(CN2CCC[C@@H](Oc3ccccc3)C2)c(F)c1 ZINC001144555185 1031704165 /nfs/dbraw/zinc/70/41/65/1031704165.db2.gz YTIUYBYZBGTROC-OAHLLOKOSA-N -1 1 319.351 3.714 20 0 DHADMM COc1ccccc1[C@H](C)N(C)Cc1c(F)cc([O-])cc1F ZINC001144560224 1031712761 /nfs/dbraw/zinc/71/27/61/1031712761.db2.gz WCEXKWRRXPOQCM-NSHDSACASA-N -1 1 307.340 3.872 20 0 DHADMM COc1ccccc1[C@@H](C)N(C)Cc1c(F)cc([O-])cc1F ZINC001144560223 1031712814 /nfs/dbraw/zinc/71/28/14/1031712814.db2.gz WCEXKWRRXPOQCM-LLVKDONJSA-N -1 1 307.340 3.872 20 0 DHADMM CN(Cc1c(F)cc([O-])cc1F)[C@@H](C1CCC1)C(F)(F)F ZINC001144559967 1031714108 /nfs/dbraw/zinc/71/41/08/1031714108.db2.gz TUDFICFPPPGHBZ-ZDUSSCGKSA-N -1 1 309.278 3.833 20 0 DHADMM CCC[C@@H](C)N(C)C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC000930221100 1031741507 /nfs/dbraw/zinc/74/15/07/1031741507.db2.gz GLDWJEIXAACDHF-GFCCVEGCSA-N -1 1 315.369 3.725 20 0 DHADMM CCOc1cc(C(=O)N2CC(CC)(CC)C2)cc(Cl)c1[O-] ZINC000294057962 1031778790 /nfs/dbraw/zinc/77/87/90/1031778790.db2.gz GLFQTIZHDJVUJK-UHFFFAOYSA-N -1 1 311.809 3.707 20 0 DHADMM CC1(C)CN(C(=O)c2ccc3ccc(O)cc3c2[O-])[C@@H]1C1CC1 ZINC000897800410 1031841468 /nfs/dbraw/zinc/84/14/68/1031841468.db2.gz XIETZSCRLPJGBY-QGZVFWFLSA-N -1 1 311.381 3.512 20 0 DHADMM O=C([O-])c1cccc(CN2CCC[C@](F)(c3ccccc3)C2)c1 ZINC000874045145 1031967320 /nfs/dbraw/zinc/96/73/20/1031967320.db2.gz OYMLWPQROQOVOJ-LJQANCHMSA-N -1 1 313.372 3.846 20 0 DHADMM O=C(Nc1cc(F)cc(F)c1[O-])C1CCc2ccccc2CC1 ZINC001142546072 1031998318 /nfs/dbraw/zinc/99/83/18/1031998318.db2.gz PROLFQJCHUNWIF-UHFFFAOYSA-N -1 1 317.335 3.804 20 0 DHADMM CCc1cccc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)c1 ZINC001212689685 1033461301 /nfs/dbraw/zinc/46/13/01/1033461301.db2.gz MHVGKKUBTPGWJS-UHFFFAOYSA-N -1 1 308.263 3.708 20 0 DHADMM CCc1cccc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)c1 ZINC001212689685 1033461321 /nfs/dbraw/zinc/46/13/21/1033461321.db2.gz MHVGKKUBTPGWJS-UHFFFAOYSA-N -1 1 308.263 3.708 20 0 DHADMM Cc1cc(C)cc(-c2noc(-c3ncc(C(F)(F)F)[n-]3)n2)c1 ZINC001212689415 1033461781 /nfs/dbraw/zinc/46/17/81/1033461781.db2.gz CZHBZHWUYYKFON-UHFFFAOYSA-N -1 1 308.263 3.762 20 0 DHADMM Cc1cc(C)cc(-c2noc(-c3nc(C(F)(F)F)c[n-]3)n2)c1 ZINC001212689415 1033461791 /nfs/dbraw/zinc/46/17/91/1033461791.db2.gz CZHBZHWUYYKFON-UHFFFAOYSA-N -1 1 308.263 3.762 20 0 DHADMM CCN(C(=O)c1cc(Br)ccc1[O-])[C@@H](C)C(C)C ZINC000553071746 1033590395 /nfs/dbraw/zinc/59/03/95/1033590395.db2.gz XQSAIWGKGOEUFR-JTQLQIEISA-N -1 1 314.223 3.661 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cc(C2CC2)[nH]c1C1CC1 ZINC000861250977 1033618541 /nfs/dbraw/zinc/61/85/41/1033618541.db2.gz WWSDOQCHGGPQPP-UHFFFAOYSA-N -1 1 317.776 3.776 20 0 DHADMM CCOc1cc(C(=O)N2CC[C@H]2C2CCCC2)cc(Cl)c1[O-] ZINC000889392869 1033655658 /nfs/dbraw/zinc/65/56/58/1033655658.db2.gz WNNJZTVAVKGDQN-AWEZNQCLSA-N -1 1 323.820 3.849 20 0 DHADMM [O-]c1cnccc1-c1nc(-c2cccc3nccc(Cl)c32)no1 ZINC001212722651 1033685522 /nfs/dbraw/zinc/68/55/22/1033685522.db2.gz SOTSNFORGNUCEE-UHFFFAOYSA-N -1 1 324.727 3.706 20 0 DHADMM Cc1cccc(F)c1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000479487226 1033775423 /nfs/dbraw/zinc/77/54/23/1033775423.db2.gz GEGVABRISFKUED-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM C[C@](O)(C(=O)Nc1cc(Cl)c([O-])c2ccccc12)C1CCC1 ZINC000862295622 1033813799 /nfs/dbraw/zinc/81/37/99/1033813799.db2.gz OSQOGGDLGMTHGT-QGZVFWFLSA-N -1 1 319.788 3.688 20 0 DHADMM CCN(CC)C(=O)c1ccc(Nc2ccc(F)c(F)c2[O-])cc1 ZINC001174065134 1034069285 /nfs/dbraw/zinc/06/92/85/1034069285.db2.gz BXELFGUZJOVSHB-UHFFFAOYSA-N -1 1 320.339 3.896 20 0 DHADMM CC(C)c1ccccc1Nc1cc(S(C)(=O)=O)ccc1[O-] ZINC001174047562 1034101763 /nfs/dbraw/zinc/10/17/63/1034101763.db2.gz VMJBHEHTVDXKDR-UHFFFAOYSA-N -1 1 305.399 3.663 20 0 DHADMM CC(C)NC(=O)c1cccc(Nc2cc(F)c([O-])cc2F)c1 ZINC001174186570 1034204021 /nfs/dbraw/zinc/20/40/21/1034204021.db2.gz BILZPSKIOCVODN-UHFFFAOYSA-N -1 1 306.312 3.552 20 0 DHADMM Cc1cccc(OCCNC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000222332634 1034221321 /nfs/dbraw/zinc/22/13/21/1034221321.db2.gz DPOBHKIWAUSKGM-UHFFFAOYSA-N -1 1 321.376 3.663 20 0 DHADMM Cc1nn(C)cc1Nc1cc(Br)cc(Cl)c1[O-] ZINC001174337969 1034297062 /nfs/dbraw/zinc/29/70/62/1034297062.db2.gz CKJVYCOMNDPSBQ-UHFFFAOYSA-N -1 1 316.586 3.594 20 0 DHADMM CO[C@H](CSc1nc(C2CC2)cc(=O)[n-]1)c1ccccc1 ZINC000554884282 1034402438 /nfs/dbraw/zinc/40/24/38/1034402438.db2.gz FZYSPFKMBAYXHJ-CQSZACIVSA-N -1 1 302.399 3.539 20 0 DHADMM O=c1ccn(-c2ccc(Nc3cccc(N4CCCC4)c3)cc2)[n-]1 ZINC001174489088 1034411148 /nfs/dbraw/zinc/41/11/48/1034411148.db2.gz BJRRBYJHFNOXKX-UHFFFAOYSA-N -1 1 320.396 3.922 20 0 DHADMM O=c1oc2cc([O-])ccc2cc1Nc1cccc(-c2cc[nH]n2)c1 ZINC001174506470 1034464503 /nfs/dbraw/zinc/46/45/03/1034464503.db2.gz ICCBITVECLGAKZ-UHFFFAOYSA-N -1 1 319.320 3.632 20 0 DHADMM CCC(=O)[C@H]1CCCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000185820752 1034576716 /nfs/dbraw/zinc/57/67/16/1034576716.db2.gz GARJBOYRHKTORF-MRXNPFEDSA-N -1 1 311.381 3.519 20 0 DHADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(C3CCC3)c2)c1 ZINC000555245616 1034579439 /nfs/dbraw/zinc/57/94/39/1034579439.db2.gz BWWHEWMDKTYDRD-UHFFFAOYSA-N -1 1 324.380 3.870 20 0 DHADMM Cc1ccccc1OCCSc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000865373168 1034612817 /nfs/dbraw/zinc/61/28/17/1034612817.db2.gz IMZMMVRFNFSIMK-UHFFFAOYSA-N -1 1 316.426 3.848 20 0 DHADMM CCOc1cc(C(=O)N2CCC[C@H]2C2CCC2)cc(Cl)c1[O-] ZINC000186777335 1034660838 /nfs/dbraw/zinc/66/08/38/1034660838.db2.gz HVAZRXMUNKTZFF-AWEZNQCLSA-N -1 1 323.820 3.849 20 0 DHADMM CC[C@H](C)CO[N-]C(=O)[C@@H](C)c1cccc(Br)c1 ZINC000794844018 1034685511 /nfs/dbraw/zinc/68/55/11/1034685511.db2.gz VJLWMYPMPXHKIL-QWRGUYRKSA-N -1 1 314.223 3.647 20 0 DHADMM CC(C)(C)c1nnc([N-][C@@H](c2ccccc2)c2ccccn2)o1 ZINC000881761195 1034686919 /nfs/dbraw/zinc/68/69/19/1034686919.db2.gz MRKUVEQGZSHBJU-HNNXBMFYSA-N -1 1 308.385 3.964 20 0 DHADMM CCOc1cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)ccc1F ZINC001175057476 1034748895 /nfs/dbraw/zinc/74/88/95/1034748895.db2.gz HFCKRMKZZOCBQT-UHFFFAOYSA-N -1 1 313.332 3.859 20 0 DHADMM O=C([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001142643280 1034860336 /nfs/dbraw/zinc/86/03/36/1034860336.db2.gz OIRQYINTHXBSNN-LBPRGKRZSA-N -1 1 321.726 3.607 20 0 DHADMM O=C([O-])c1cc(Cl)ccc1CN1CC[C@H](F)C(F)(F)CC1 ZINC001142643280 1034860345 /nfs/dbraw/zinc/86/03/45/1034860345.db2.gz OIRQYINTHXBSNN-LBPRGKRZSA-N -1 1 321.726 3.607 20 0 DHADMM COc1ccc(OCc2ccccc2)c([N-]c2nnc(C)o2)c1 ZINC001175294144 1034903140 /nfs/dbraw/zinc/90/31/40/1034903140.db2.gz UWSXLQYHHMEKRF-UHFFFAOYSA-N -1 1 311.341 3.709 20 0 DHADMM COc1ccc2c(c1Nc1c(F)ccc([O-])c1F)C(=O)CC2 ZINC001175267815 1034914071 /nfs/dbraw/zinc/91/40/71/1034914071.db2.gz IMKWXDPMXBIOHG-UHFFFAOYSA-N -1 1 305.280 3.552 20 0 DHADMM Cc1cc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc2c[nH]nc21 ZINC001175521777 1035024561 /nfs/dbraw/zinc/02/45/61/1035024561.db2.gz WGUNYWAKEFBBRB-UHFFFAOYSA-N -1 1 305.341 3.506 20 0 DHADMM CCOc1ncc(Nc2ccc(Cl)c(Cl)c2[O-])cn1 ZINC001175558784 1035043179 /nfs/dbraw/zinc/04/31/79/1035043179.db2.gz FUUINWRSGNRREW-UHFFFAOYSA-N -1 1 300.145 3.631 20 0 DHADMM CCOc1ncc(Nc2c(Cl)ccc([O-])c2Cl)cn1 ZINC001175559548 1035043322 /nfs/dbraw/zinc/04/33/22/1035043322.db2.gz FDXSRVMXNKUZIP-UHFFFAOYSA-N -1 1 300.145 3.631 20 0 DHADMM COc1cc(Nc2ccc(Cl)c(Cl)c2[O-])c(F)cn1 ZINC001175693202 1035068781 /nfs/dbraw/zinc/06/87/81/1035068781.db2.gz BHOYNVBYRHXQDH-UHFFFAOYSA-N -1 1 303.120 3.985 20 0 DHADMM Cc1n[nH]c2cc(Nc3ccc(-n4ccc(=O)[n-]4)cc3)ccc12 ZINC001175664136 1035079774 /nfs/dbraw/zinc/07/97/74/1035079774.db2.gz VMUUZLWXPKQJTR-UHFFFAOYSA-N -1 1 305.341 3.506 20 0 DHADMM CC1=C(C)C[C@H](C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)CC1 ZINC000567943863 1035092761 /nfs/dbraw/zinc/09/27/61/1035092761.db2.gz YCOYOPWLUBLJNJ-CQSZACIVSA-N -1 1 311.385 3.857 20 0 DHADMM O=C(N[C@@H]1c2ccccc2CC[C@H]1F)c1cc(Cl)ccc1[O-] ZINC001175764138 1035113666 /nfs/dbraw/zinc/11/36/66/1035113666.db2.gz QJRWKRCVOWZNBE-GDBMZVCRSA-N -1 1 319.763 3.801 20 0 DHADMM COc1cc(Nc2cc3ccc([O-])cc3oc2=O)ccc1Cl ZINC001175773560 1035116605 /nfs/dbraw/zinc/11/66/05/1035116605.db2.gz ZCWAMWXTHDKIGV-UHFFFAOYSA-N -1 1 317.728 3.904 20 0 DHADMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)[C@@H](C)[C@H]1C ZINC000668060078 1035123324 /nfs/dbraw/zinc/12/33/24/1035123324.db2.gz RNHQRRDNYWAEHU-UTLUCORTSA-N -1 1 301.308 3.528 20 0 DHADMM Fc1ccc([N-]c2nc3cc(Br)ccc3o2)nc1 ZINC001175846606 1035132278 /nfs/dbraw/zinc/13/22/78/1035132278.db2.gz ICRQHTKRMBRXJD-UHFFFAOYSA-N -1 1 308.110 3.868 20 0 DHADMM O=c1ccn(-c2ccc(Nc3ccc4scnc4c3)cc2)[n-]1 ZINC001175913924 1035160329 /nfs/dbraw/zinc/16/03/29/1035160329.db2.gz KKEGCCRYWUVDBT-UHFFFAOYSA-N -1 1 308.366 3.931 20 0 DHADMM [O-]c1c(Br)c(F)ccc1Nc1cnn(C2CC2)c1 ZINC001175964131 1035166942 /nfs/dbraw/zinc/16/69/42/1035166942.db2.gz LKUSQOGWEKDDSA-UHFFFAOYSA-N -1 1 312.142 3.569 20 0 DHADMM O=c1ccc(Nc2c(Cl)ccc(Br)c2[O-])c[nH]1 ZINC001176130314 1035211484 /nfs/dbraw/zinc/21/14/84/1035211484.db2.gz DEIXREGDLPXYIU-UHFFFAOYSA-N -1 1 315.554 3.652 20 0 DHADMM Cc1noc(C)c1[N-]c1noc2cc(Br)ccc21 ZINC001176177797 1035213350 /nfs/dbraw/zinc/21/33/50/1035213350.db2.gz YBXFHLSVBASLBV-UHFFFAOYSA-N -1 1 308.135 3.939 20 0 DHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2cccc(Cl)c2)c1 ZINC001176221747 1035226255 /nfs/dbraw/zinc/22/62/55/1035226255.db2.gz OYUNLNZPKSBZAG-UHFFFAOYSA-N -1 1 311.790 3.583 20 0 DHADMM CC(C)c1ccc(C(=O)COC(=O)c2ccc([O-])cc2F)cc1 ZINC000773563364 1035237755 /nfs/dbraw/zinc/23/77/55/1035237755.db2.gz AVIDWMOFSQJVJO-UHFFFAOYSA-N -1 1 316.328 3.694 20 0 DHADMM CCCc1ccc(C(=O)COC(=O)c2ccc([O-])cc2F)cc1 ZINC000773571152 1035257504 /nfs/dbraw/zinc/25/75/04/1035257504.db2.gz PSOKBFXESSSEMS-UHFFFAOYSA-N -1 1 316.328 3.524 20 0 DHADMM CCN(C)C(=O)c1cccc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001176469265 1035274991 /nfs/dbraw/zinc/27/49/91/1035274991.db2.gz CZRHBEKTGHZVRN-UHFFFAOYSA-N -1 1 306.312 3.506 20 0 DHADMM COc1nc(Nc2c(F)cc(F)c([O-])c2F)cc2cccnc21 ZINC001176664064 1035308735 /nfs/dbraw/zinc/30/87/35/1035308735.db2.gz SFFHBCLWDCZLGD-UHFFFAOYSA-N -1 1 321.258 3.505 20 0 DHADMM Nc1cc(C(F)(F)F)cnc1Nc1c(F)cc(F)c([O-])c1F ZINC001176664136 1035308864 /nfs/dbraw/zinc/30/88/64/1035308864.db2.gz LVFHOKZRJSGSDH-UHFFFAOYSA-N -1 1 323.196 3.549 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cccnc2N2CCCCC2)c1F ZINC001176663505 1035308928 /nfs/dbraw/zinc/30/89/28/1035308928.db2.gz HIMCCTKNEUGZTJ-UHFFFAOYSA-N -1 1 323.318 3.938 20 0 DHADMM COC(=O)c1c(C)cccc1Nc1c(F)cc(F)c([O-])c1F ZINC001176670312 1035309823 /nfs/dbraw/zinc/30/98/23/1035309823.db2.gz DGCVJWRHWQEINJ-UHFFFAOYSA-N -1 1 311.259 3.648 20 0 DHADMM COC(=O)c1cccc(Nc2c(F)cc(F)c([O-])c2F)c1C ZINC001176671754 1035310539 /nfs/dbraw/zinc/31/05/39/1035310539.db2.gz NQKYWYOKQKCCAL-UHFFFAOYSA-N -1 1 311.259 3.648 20 0 DHADMM CCN1Cc2ccc(Nc3c(F)cc(F)c([O-])c3F)cc2C1=O ZINC001176673262 1035311735 /nfs/dbraw/zinc/31/17/35/1035311735.db2.gz QQVJRYVVSGZJIC-UHFFFAOYSA-N -1 1 322.286 3.529 20 0 DHADMM [O-]c1cc(Nc2ccnn2Cc2ccccc2)cc(F)c1F ZINC001176707898 1035325554 /nfs/dbraw/zinc/32/55/54/1035325554.db2.gz VMUANCGVCYIREG-UHFFFAOYSA-N -1 1 301.296 3.659 20 0 DHADMM COc1cccc(NC(=O)c2cc3ccccc3cc2[O-])c1OC ZINC000148700944 1035327959 /nfs/dbraw/zinc/32/79/59/1035327959.db2.gz VMCJQMXTDWPAGL-UHFFFAOYSA-N -1 1 323.348 3.815 20 0 DHADMM Cc1cc(CN[C@@H](CC(=O)[O-])c2ccc(C(C)C)cc2)sn1 ZINC000904002050 1035337240 /nfs/dbraw/zinc/33/72/40/1035337240.db2.gz MSZIIGBMLXDOIX-INIZCTEOSA-N -1 1 318.442 3.881 20 0 DHADMM Cc1cc(C)c(/C=C\CNCc2nc(C(=O)[O-])cs2)c(C)c1 ZINC000903996542 1035338603 /nfs/dbraw/zinc/33/86/03/1035338603.db2.gz GVJVEWWLPSDHMH-PLNGDYQASA-N -1 1 316.426 3.570 20 0 DHADMM Cc1ccc(CCC(=O)NCc2ccc([O-])c(Cl)c2)c(C)c1 ZINC001176988369 1035341471 /nfs/dbraw/zinc/34/14/71/1035341471.db2.gz LSZWXGQOXNLNJR-UHFFFAOYSA-N -1 1 317.816 3.911 20 0 DHADMM O=C(CCc1ccc(Cl)cc1)NCc1ccc([O-])c(Cl)c1 ZINC001176988542 1035342189 /nfs/dbraw/zinc/34/21/89/1035342189.db2.gz NDGJYQLZWZOUOG-UHFFFAOYSA-N -1 1 324.207 3.948 20 0 DHADMM CCOc1cccc(CN[C@@H](CC(=O)[O-])c2ccccc2F)c1 ZINC000904045436 1035351333 /nfs/dbraw/zinc/35/13/33/1035351333.db2.gz JOHUDRHQRSVJHB-KRWDZBQOSA-N -1 1 317.360 3.530 20 0 DHADMM CC[C@@H](NCc1c(C)cc(Cl)cc1C)c1nc(C(=O)[O-])c[nH]1 ZINC000904065198 1035357048 /nfs/dbraw/zinc/35/70/48/1035357048.db2.gz PSKSVMDTCCUZSJ-CYBMUJFWSA-N -1 1 321.808 3.619 20 0 DHADMM COc1ccc([C@H](C)NC(=O)c2ccc(Cl)cc2[O-])cc1C ZINC001177326547 1035364076 /nfs/dbraw/zinc/36/40/76/1035364076.db2.gz HHZLXAIFDCVDHB-NSHDSACASA-N -1 1 319.788 3.854 20 0 DHADMM CCc1cc(=O)[n-]c(S[C@H](C)c2cccc(Cl)c2F)n1 ZINC000195074037 1035410412 /nfs/dbraw/zinc/41/04/12/1035410412.db2.gz UARVTIQFTOONMT-MRVPVSSYSA-N -1 1 312.797 3.978 20 0 DHADMM CCc1cc(=O)[n-]c(SC/C=C/c2ccc(Cl)cc2)n1 ZINC000195077342 1035410601 /nfs/dbraw/zinc/41/06/01/1035410601.db2.gz YXBFZWRGJMVLGH-ONEGZZNKSA-N -1 1 306.818 3.791 20 0 DHADMM CCCCc1noc([C@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)n1 ZINC000195086103 1035412225 /nfs/dbraw/zinc/41/22/25/1035412225.db2.gz WUPXUNPLDHWBIW-VIFPVBQESA-N -1 1 320.418 3.639 20 0 DHADMM O=C(c1cccc([O-])c1F)N1CCC[C@H]1/C=C\c1ccccc1 ZINC001179488593 1035480484 /nfs/dbraw/zinc/48/04/84/1035480484.db2.gz JCGIZMABMWSGMF-SSCKCOOKSA-N -1 1 311.356 3.849 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@H]1Cc2ccccc2S1 ZINC001179656552 1035487501 /nfs/dbraw/zinc/48/75/01/1035487501.db2.gz SEXJNXKGICYVHW-CQSZACIVSA-N -1 1 323.776 3.840 20 0 DHADMM Cc1ccc2oc(C(=O)Nc3cc(F)c([O-])cc3Cl)cc2n1 ZINC001179660353 1035488296 /nfs/dbraw/zinc/48/82/96/1035488296.db2.gz QWIVYCCILBKQEK-UHFFFAOYSA-N -1 1 320.707 3.887 20 0 DHADMM C[C@@H]1Cc2cc(C(=O)Nc3cc(F)c([O-])cc3Cl)ccc2O1 ZINC001179659938 1035488383 /nfs/dbraw/zinc/48/83/83/1035488383.db2.gz JJWRSNOBBLWJQL-MRVPVSSYSA-N -1 1 321.735 3.760 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N(Cc1cccnc1)C1CC1 ZINC000195317482 1035540884 /nfs/dbraw/zinc/54/08/84/1035540884.db2.gz HOHFNJVMYPJRLK-UHFFFAOYSA-N -1 1 318.376 3.745 20 0 DHADMM C[C@H](CCc1ccccc1)NC(=O)c1ccc(Cl)cc1[O-] ZINC000070134695 1035573593 /nfs/dbraw/zinc/57/35/93/1035573593.db2.gz NCBQRRQRTCTZIR-GFCCVEGCSA-N -1 1 303.789 3.797 20 0 DHADMM Cc1cccc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)c1C ZINC000485389370 1035584450 /nfs/dbraw/zinc/58/44/50/1035584450.db2.gz YOODFZKKUZGQJX-UHFFFAOYSA-N -1 1 319.364 3.510 20 0 DHADMM Cc1nc(Cl)nc(Cl)c1Nc1cc([O-])c(F)c(F)c1F ZINC001249958071 1035615539 /nfs/dbraw/zinc/61/55/39/1035615539.db2.gz JFDPMZOJSXEWCE-UHFFFAOYSA-N -1 1 324.089 3.958 20 0 DHADMM Nc1cc(F)c(Cl)cc1Nc1cc([O-])c(F)c(F)c1F ZINC001249962102 1035629522 /nfs/dbraw/zinc/62/95/22/1035629522.db2.gz GIOXQYJNZGGUHB-UHFFFAOYSA-N -1 1 306.646 3.928 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1c(Cl)cncc1Cl ZINC000485658117 1035816779 /nfs/dbraw/zinc/81/67/79/1035816779.db2.gz MZVUJOHKYRKPAF-UHFFFAOYSA-N -1 1 317.559 4.000 20 0 DHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1cccc2ccncc21 ZINC001194637536 1035973133 /nfs/dbraw/zinc/97/31/33/1035973133.db2.gz APVMLDGNHOFNFH-UHFFFAOYSA-N -1 1 312.394 3.652 20 0 DHADMM [O-]c1cc(F)c(Nc2cnn3ccc(Cl)nc23)cc1Cl ZINC001250020572 1035978929 /nfs/dbraw/zinc/97/89/29/1035978929.db2.gz XCASXFWLEZAPEN-UHFFFAOYSA-N -1 1 313.119 3.624 20 0 DHADMM O=C(Nc1ccccc1C(F)F)c1c[n-]c(C(F)(F)F)n1 ZINC001194782095 1036018220 /nfs/dbraw/zinc/01/82/20/1036018220.db2.gz NDRBNZLLABOJRQ-UHFFFAOYSA-N -1 1 305.206 3.618 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]C(C)(C)/C=C/Cl)sc1Cl ZINC001195042317 1036113571 /nfs/dbraw/zinc/11/35/71/1036113571.db2.gz IQYRWWXLBRNCCV-SNAWJCMRSA-N -1 1 314.259 3.519 20 0 DHADMM CCN(CC)c1ccc(NC(=O)c2nc(C)ccc2[O-])c(C)c1 ZINC001195326257 1036205908 /nfs/dbraw/zinc/20/59/08/1036205908.db2.gz MVKVXSMOBHNTKH-UHFFFAOYSA-N -1 1 313.401 3.503 20 0 DHADMM CC[C@@H](C)C1CCC(NC(=O)c2cc([O-])cnc2Cl)CC1 ZINC001195315198 1036218740 /nfs/dbraw/zinc/21/87/40/1036218740.db2.gz NBFOOLMZEWLLBH-VOMCLLRMSA-N -1 1 310.825 3.775 20 0 DHADMM [O-]c1ccc(-c2nc(Cc3ccccc3Cl)no2)c(F)c1 ZINC000230225841 1036372113 /nfs/dbraw/zinc/37/21/13/1036372113.db2.gz BFXLEXYLLBXYHG-UHFFFAOYSA-N -1 1 304.708 3.826 20 0 DHADMM Cc1cc(F)ccc1NC(=S)Nc1cc(Cl)ncc1[O-] ZINC001196095340 1036438659 /nfs/dbraw/zinc/43/86/59/1036438659.db2.gz VOWNZVQDQVNRDH-UHFFFAOYSA-N -1 1 311.769 3.697 20 0 DHADMM O=C(CCc1nc2ccccc2o1)Nc1ccc([O-])c(Cl)c1 ZINC000541888126 1036450366 /nfs/dbraw/zinc/45/03/66/1036450366.db2.gz ODQPQZRYNDPUNZ-UHFFFAOYSA-N -1 1 316.744 3.758 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)[C@H]1CCC(F)(F)C1 ZINC000908708565 1036485672 /nfs/dbraw/zinc/48/56/72/1036485672.db2.gz ZACKBIZHDQXJDT-ZETCQYMHSA-N -1 1 320.133 3.529 20 0 DHADMM CC(C)CCCC(=O)Nc1cccc([O-])c1Br ZINC000908708256 1036485705 /nfs/dbraw/zinc/48/57/05/1036485705.db2.gz SOYPNPOLHIUBSF-UHFFFAOYSA-N -1 1 300.196 3.920 20 0 DHADMM CC(C)C[C@@H](C)C(=O)Nc1cccc([O-])c1Br ZINC000908708763 1036487392 /nfs/dbraw/zinc/48/73/92/1036487392.db2.gz DBVSFXVIDRHTQG-SECBINFHSA-N -1 1 300.196 3.775 20 0 DHADMM CC[C@H](CC(F)F)C(=O)Nc1cccc([O-])c1Br ZINC000908706355 1036487595 /nfs/dbraw/zinc/48/75/95/1036487595.db2.gz ACMRFWGLZLSNSC-SSDOTTSWSA-N -1 1 322.149 3.775 20 0 DHADMM C[C@@H]1CCC[C@H]1CC(=O)Nc1cccc([O-])c1Br ZINC000908711169 1036490585 /nfs/dbraw/zinc/49/05/85/1036490585.db2.gz YTJYRORQZZKLGP-ZJUUUORDSA-N -1 1 312.207 3.920 20 0 DHADMM C/C(=C(\F)C(=O)Nc1cccc([O-])c1Br)C1CC1 ZINC000908717694 1036491996 /nfs/dbraw/zinc/49/19/96/1036491996.db2.gz MSUOWIKQDAILKX-KPKJPENVSA-N -1 1 314.154 3.747 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccoc1C(F)(F)F ZINC000486985706 1036498255 /nfs/dbraw/zinc/49/82/55/1036498255.db2.gz HYRXYJJBOAVDFC-UHFFFAOYSA-N -1 1 305.639 3.910 20 0 DHADMM C[C@H](C(=O)Nc1nc(Cl)ccc1[O-])c1ccc(Cl)cc1 ZINC001183218018 1036543884 /nfs/dbraw/zinc/54/38/84/1036543884.db2.gz HXSSRRBWWDRGML-QMMMGPOBSA-N -1 1 311.168 3.836 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001183217342 1036544018 /nfs/dbraw/zinc/54/40/18/1036544018.db2.gz AEFIEHJPVRTHDT-QJPTWQEYSA-N -1 1 308.809 3.986 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cscc1C(F)F ZINC001183217351 1036544138 /nfs/dbraw/zinc/54/41/38/1036544138.db2.gz AJOFBGQYYDWNPI-UHFFFAOYSA-N -1 1 304.705 3.692 20 0 DHADMM O=C(c1ncc2ccccc2c1[O-])N1CCC[C@@]2(CC=CCC2)C1 ZINC000668773012 1036628451 /nfs/dbraw/zinc/62/84/51/1036628451.db2.gz OCVJSFJQPXOPHR-FQEVSTJZSA-N -1 1 322.408 3.903 20 0 DHADMM C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2cc([O-])c(F)cc2F)o1 ZINC000909976377 1036728246 /nfs/dbraw/zinc/72/82/46/1036728246.db2.gz YWTKFSJKKQDIMF-ONGXEEELSA-N -1 1 321.323 3.958 20 0 DHADMM [O-]c1cnc(Cl)cc1NC(=S)Nc1ccc(Cl)cc1 ZINC001197306347 1036730581 /nfs/dbraw/zinc/73/05/81/1036730581.db2.gz LWOYNLVODUPMFR-UHFFFAOYSA-N -1 1 314.197 3.903 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)[C@@H]1C[C@]12CCc1ccccc12 ZINC000909982050 1036735153 /nfs/dbraw/zinc/73/51/53/1036735153.db2.gz CUHOMIYZIQCOIM-SGTLLEGYSA-N -1 1 315.319 3.513 20 0 DHADMM CC(C)Sc1ccccc1[N-]S(=O)(=O)Cc1ccccn1 ZINC001197822253 1036889600 /nfs/dbraw/zinc/88/96/00/1036889600.db2.gz YQIGYVFIKAWLDR-UHFFFAOYSA-N -1 1 322.455 3.524 20 0 DHADMM O=C(/C=C/c1ccnc2ccccc12)Nc1c([O-])cccc1F ZINC000089541479 1036922809 /nfs/dbraw/zinc/92/28/09/1036922809.db2.gz PLBRJDCNFMRUFX-CMDGGOBGSA-N -1 1 308.312 3.731 20 0 DHADMM CCS[C@@H]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2[O-])C1 ZINC001294398104 1036938440 /nfs/dbraw/zinc/93/84/40/1036938440.db2.gz YXJSSEMXWJSPDX-VXGBXAGGSA-N -1 1 313.850 3.840 20 0 DHADMM CCc1csc([C@H](C)NC(=O)c2c([O-])cccc2Cl)n1 ZINC000910731439 1036939066 /nfs/dbraw/zinc/93/90/66/1036939066.db2.gz XFPQQJFUOQHUII-QMMMGPOBSA-N -1 1 310.806 3.556 20 0 DHADMM O=C(Nc1cc(F)cc(F)c1[O-])C1(C(F)(F)F)CCCC1 ZINC000910985433 1037020782 /nfs/dbraw/zinc/02/07/82/1037020782.db2.gz BTJDCRPPZWEKKR-UHFFFAOYSA-N -1 1 309.234 3.732 20 0 DHADMM O=C(Nc1cc(F)cc(F)c1[O-])C1(c2cccnc2)CCCC1 ZINC000910987359 1037023655 /nfs/dbraw/zinc/02/36/55/1037023655.db2.gz LJJYBPREXFKSPG-UHFFFAOYSA-N -1 1 318.323 3.516 20 0 DHADMM Cc1ccc(CNC(=O)Nc2cc([O-])c(Cl)cc2F)cc1 ZINC001185400785 1037123938 /nfs/dbraw/zinc/12/39/38/1037123938.db2.gz BDQORCHNSXJOCY-UHFFFAOYSA-N -1 1 308.740 3.815 20 0 DHADMM Cc1cnc(Cl)cc1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198830090 1037133550 /nfs/dbraw/zinc/13/35/50/1037133550.db2.gz GEWRVUIRDUKFPZ-UHFFFAOYSA-N -1 1 322.773 3.590 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2cc3ccccc3s2)c(F)n1 ZINC001185426509 1037135996 /nfs/dbraw/zinc/13/59/96/1037135996.db2.gz PPJGIDHFGKQUFN-UHFFFAOYSA-N -1 1 322.386 3.545 20 0 DHADMM Cc1cc([N-]S(=O)(=O)c2ccc3occc3c2)cc(F)c1F ZINC001198871153 1037155507 /nfs/dbraw/zinc/15/55/07/1037155507.db2.gz YBIFWUBYBIWNNJ-UHFFFAOYSA-N -1 1 323.320 3.820 20 0 DHADMM O=C(Nc1ccc2c(c1)CCCCC2)c1cnc(C2CC2)[n-]c1=O ZINC000911899059 1037228886 /nfs/dbraw/zinc/22/88/86/1037228886.db2.gz YMPLBFMUTFEVBL-UHFFFAOYSA-N -1 1 323.396 3.581 20 0 DHADMM CCC(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1 ZINC001185836743 1037245613 /nfs/dbraw/zinc/24/56/13/1037245613.db2.gz WDOATSAXTARDHM-UHFFFAOYSA-N -1 1 321.373 3.528 20 0 DHADMM O=C(Nc1cc(Cl)cc2ncoc21)c1ccc([O-])c(F)c1 ZINC001186237710 1037340366 /nfs/dbraw/zinc/34/03/66/1037340366.db2.gz WTLDPUMSUONWBX-UHFFFAOYSA-N -1 1 306.680 3.578 20 0 DHADMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@@H]1c1cc2ccccc2[nH]1 ZINC001186219199 1037348472 /nfs/dbraw/zinc/34/84/72/1037348472.db2.gz PPTXKWSHSKKTAY-QGZVFWFLSA-N -1 1 324.355 3.990 20 0 DHADMM CC[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccc(F)c(F)c1 ZINC001186348587 1037368443 /nfs/dbraw/zinc/36/84/43/1037368443.db2.gz UKUVWQJYKHBXDF-OAHLLOKOSA-N -1 1 309.287 3.691 20 0 DHADMM O=C(Nc1ccccc1-c1ccncc1)c1ccc([O-])cc1F ZINC001186329968 1037377164 /nfs/dbraw/zinc/37/71/64/1037377164.db2.gz YJORMHRDPTZYQK-UHFFFAOYSA-N -1 1 308.312 3.846 20 0 DHADMM COc1cccc2c(NC(=O)c3ccc([O-])cc3F)cccc12 ZINC001186329665 1037378363 /nfs/dbraw/zinc/37/83/63/1037378363.db2.gz UGIURDYEIZOGKY-UHFFFAOYSA-N -1 1 311.312 3.945 20 0 DHADMM O=C(Nc1c(F)cc([O-])cc1F)NC12CC3CC(CC(C3)C1)C2 ZINC001186687138 1037467725 /nfs/dbraw/zinc/46/77/25/1037467725.db2.gz SVEAGFOZSWTDNO-UHFFFAOYSA-N -1 1 322.355 3.761 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)NC12CC3CC(CC(C3)C1)C2 ZINC001186677911 1037474933 /nfs/dbraw/zinc/47/49/33/1037474933.db2.gz UQXDBPNBNBLUFS-UHFFFAOYSA-N -1 1 322.355 3.761 20 0 DHADMM O=S(=O)([N-]c1cccc(Cl)c1F)c1ccccc1Cl ZINC000007387687 1037492900 /nfs/dbraw/zinc/49/29/00/1037492900.db2.gz JXORZDQJYQGOEZ-UHFFFAOYSA-N -1 1 320.172 3.933 20 0 DHADMM O=C(NCCC(F)(F)F)Nc1cc(Cl)c(Cl)cc1[O-] ZINC001187010749 1037540528 /nfs/dbraw/zinc/54/05/28/1037540528.db2.gz SWYGNRCAGOJJRQ-UHFFFAOYSA-N -1 1 317.094 3.773 20 0 DHADMM CC(=O)Nc1ccc(C)c(NCc2cccc([O-])c2Cl)c1 ZINC000328258455 1037745708 /nfs/dbraw/zinc/74/57/08/1037745708.db2.gz UPVMLWOTTRIVKM-UHFFFAOYSA-N -1 1 304.777 3.925 20 0 DHADMM Cc1cccc([N-]S(=O)(=O)c2c[nH]c3cccc(F)c32)c1F ZINC000185288734 1037793238 /nfs/dbraw/zinc/79/32/38/1037793238.db2.gz JFSPHGIJPLNXFF-UHFFFAOYSA-N -1 1 322.336 3.555 20 0 DHADMM CC1(C)CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC001188034310 1037796392 /nfs/dbraw/zinc/79/63/92/1037796392.db2.gz KGENVYMJGZKFCD-ZDUSSCGKSA-N -1 1 319.829 3.726 20 0 DHADMM O=S(=O)([N-]c1cc(Cl)ccc1C(F)(F)F)C1CCC1 ZINC001188136944 1037825987 /nfs/dbraw/zinc/82/59/87/1037825987.db2.gz KIEGSODABFUFGY-UHFFFAOYSA-N -1 1 313.728 3.653 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cn1 ZINC001201790146 1037907840 /nfs/dbraw/zinc/90/78/40/1037907840.db2.gz VREQYJNRQLXPCZ-UHFFFAOYSA-N -1 1 318.442 3.733 20 0 DHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C(C)C)cc1 ZINC000188892324 1038005838 /nfs/dbraw/zinc/00/58/38/1038005838.db2.gz OQWIKEJDUARXBG-UHFFFAOYSA-N -1 1 317.410 3.813 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)Nc1c(F)cccc1F ZINC001202042096 1038015049 /nfs/dbraw/zinc/01/50/49/1038015049.db2.gz NTGFGQIMMZDJBG-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)cc(Cl)c2)c1 ZINC001189232165 1038091609 /nfs/dbraw/zinc/09/16/09/1038091609.db2.gz GMQCAINKMRXMSH-UHFFFAOYSA-N -1 1 323.801 3.652 20 0 DHADMM O=C(Nc1nnc(C(F)F)s1)c1ccc2ccccc2c1[O-] ZINC000127037971 1038144641 /nfs/dbraw/zinc/14/46/41/1038144641.db2.gz WUSCJMHQEPJVDR-UHFFFAOYSA-N -1 1 321.308 3.587 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])[C@@H]1CCc2c1cccc2Cl ZINC001151779764 1038177725 /nfs/dbraw/zinc/17/77/25/1038177725.db2.gz MFBQEOWABRDEQW-LLVKDONJSA-N -1 1 305.736 3.853 20 0 DHADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C)nc2)cc1 ZINC001190423089 1038315132 /nfs/dbraw/zinc/31/51/32/1038315132.db2.gz MYACKDXFJMHDSE-UHFFFAOYSA-N -1 1 318.442 3.878 20 0 DHADMM Cc1ccccc1-c1cccc([N-]S(=O)(=O)c2ccncc2)c1 ZINC001190896186 1038402183 /nfs/dbraw/zinc/40/21/83/1038402183.db2.gz FKKYUWNKDAFIHF-UHFFFAOYSA-N -1 1 324.405 3.858 20 0 DHADMM O=S(=O)([N-]c1cccc(-c2ccccc2)c1)c1ccncc1 ZINC001190886539 1038402931 /nfs/dbraw/zinc/40/29/31/1038402931.db2.gz ABLFVTSNPOYMMF-UHFFFAOYSA-N -1 1 310.378 3.549 20 0 DHADMM C=Cc1ccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)cc1 ZINC001191147332 1038449207 /nfs/dbraw/zinc/44/92/07/1038449207.db2.gz MDMGULSJJKYTED-UHFFFAOYSA-N -1 1 303.745 3.950 20 0 DHADMM Cc1ccccc1S(=O)(=O)[N-]c1cccc(COC(C)C)c1 ZINC000589436187 1038479288 /nfs/dbraw/zinc/47/92/88/1038479288.db2.gz ZZGURUSQCLZCFC-UHFFFAOYSA-N -1 1 319.426 3.721 20 0 DHADMM CC1(C)CCC[C@H](C[N-]S(=O)(=O)c2ccc(C(F)F)o2)C1 ZINC001191384705 1038493469 /nfs/dbraw/zinc/49/34/69/1038493469.db2.gz GWZRPEHXNPHVNR-JTQLQIEISA-N -1 1 321.389 3.712 20 0 DHADMM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)F)o1)[C@H]1CCC[C@H](C)C1 ZINC001191393944 1038494074 /nfs/dbraw/zinc/49/40/74/1038494074.db2.gz BZSFIYPAQVEJCS-DCAQKATOSA-N -1 1 321.389 3.710 20 0 DHADMM O=S(=O)(CC1CCCC1)[N-]c1ccccc1C(F)(F)F ZINC001191480771 1038507540 /nfs/dbraw/zinc/50/75/40/1038507540.db2.gz BCQYUXCHJGBGFD-UHFFFAOYSA-N -1 1 307.337 3.637 20 0 DHADMM O=S(=O)(CC1CCCC1)[N-]c1ccc2ccc(Cl)cc2n1 ZINC001191481278 1038508094 /nfs/dbraw/zinc/50/80/94/1038508094.db2.gz MZYCXZRGQNLTDW-UHFFFAOYSA-N -1 1 324.833 3.820 20 0 DHADMM O=C(Nc1ccsc1)c1ccccc1C(=O)c1ccc([O-])cc1 ZINC001191487387 1038509391 /nfs/dbraw/zinc/50/93/91/1038509391.db2.gz FKDAGDUNXDSYHG-UHFFFAOYSA-N -1 1 323.373 3.937 20 0 DHADMM O=S(=O)(CC1CCCC1)[N-]c1ccccc1OC1CCCC1 ZINC001191524238 1038513553 /nfs/dbraw/zinc/51/35/53/1038513553.db2.gz YKNZCDMAUXODRS-UHFFFAOYSA-N -1 1 323.458 3.940 20 0 DHADMM CCC(C)(C)C1CCC2(C[C@H]2C(=O)Nc2c(C)[n-][nH]c2=O)CC1 ZINC000615221157 1038539330 /nfs/dbraw/zinc/53/93/30/1038539330.db2.gz JFZZGRBNNFYADK-XYEKJYRLSA-N -1 1 319.449 3.995 20 0 DHADMM CC(C)(C)c1ccc(C(=O)Nc2ccc3ncncc3c2)c([O-])c1 ZINC001192336450 1038630751 /nfs/dbraw/zinc/63/07/51/1038630751.db2.gz WVDFXZMJNLUJEQ-UHFFFAOYSA-N -1 1 321.380 3.885 20 0 DHADMM Cc1cc(C)c([N-]S(=O)(=O)c2cnc(Cl)cc2C)cc1C ZINC001192359804 1038638758 /nfs/dbraw/zinc/63/87/58/1038638758.db2.gz HPYOARHXTRSTRQ-UHFFFAOYSA-N -1 1 324.833 3.769 20 0 DHADMM C[C@H]1C[C@@H](NC(=O)c2c(F)ccc([O-])c2F)c2ccccc21 ZINC001192551027 1038671760 /nfs/dbraw/zinc/67/17/60/1038671760.db2.gz ALUHRYNAIKJTMD-TVQRCGJNSA-N -1 1 303.308 3.649 20 0 DHADMM Cc1ccc2nc(NC(=O)c3cc([O-])cc(F)c3F)sc2c1 ZINC001192651789 1038687309 /nfs/dbraw/zinc/68/73/09/1038687309.db2.gz MXZKLMHTEFEEFG-UHFFFAOYSA-N -1 1 320.320 3.841 20 0 DHADMM Cc1cc(C)cc([C@@H](C)NC(=O)c2cc([O-])cc(F)c2F)c1 ZINC001192679188 1038690796 /nfs/dbraw/zinc/69/07/96/1038690796.db2.gz RCKWEMJFSSNUFL-LLVKDONJSA-N -1 1 305.324 3.778 20 0 DHADMM C[C@@H]1C[C@H](NC(=O)c2cc([O-])cc(F)c2F)c2ccccc21 ZINC001192679357 1038690836 /nfs/dbraw/zinc/69/08/36/1038690836.db2.gz SJKFIQTYYPKMQB-PSLIRLAXSA-N -1 1 303.308 3.649 20 0 DHADMM CC(C)C[C@H](NC(=O)c1cc([O-])cc(F)c1F)c1ccccn1 ZINC001192683681 1038692126 /nfs/dbraw/zinc/69/21/26/1038692126.db2.gz IGQFVNDRNJMNHO-HNNXBMFYSA-N -1 1 320.339 3.583 20 0 DHADMM CC(C)c1ccc(CN(C)C(=O)c2ccc(F)c([O-])c2)cc1 ZINC001141420856 1038887248 /nfs/dbraw/zinc/88/72/48/1038887248.db2.gz MYXLHYWRWZWTSD-UHFFFAOYSA-N -1 1 301.361 3.927 20 0 DHADMM C[C@@H]1C[C@@H](c2ccccc2)CCN1Cc1nc(C(=O)[O-])cs1 ZINC000573734699 1039066773 /nfs/dbraw/zinc/06/67/73/1039066773.db2.gz YYGVSNIZSHLCKZ-OCCSQVGLSA-N -1 1 316.426 3.609 20 0 DHADMM COCc1ccc([C@@H]2CCCN2Cc2csc(C(=O)[O-])c2)o1 ZINC000573927485 1039096099 /nfs/dbraw/zinc/09/60/99/1039096099.db2.gz NUMSRSWGJHPRMK-ZDUSSCGKSA-N -1 1 321.398 3.523 20 0 DHADMM C[C@H](O)c1ccc(CNC(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000171131742 1039273895 /nfs/dbraw/zinc/27/38/95/1039273895.db2.gz BVLMIPRPTMPEGM-ZDUSSCGKSA-N -1 1 321.376 3.529 20 0 DHADMM CC(C)(C)n1nccc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000593037044 1039365817 /nfs/dbraw/zinc/36/58/17/1039365817.db2.gz GIRYSZZMRKHVOO-UHFFFAOYSA-N -1 1 309.369 3.749 20 0 DHADMM CC(C)CSCCCSc1nc(C(F)F)cc(=O)[n-]1 ZINC000574085029 1039385700 /nfs/dbraw/zinc/38/57/00/1039385700.db2.gz VXMOTRHSQUZGOZ-UHFFFAOYSA-N -1 1 308.419 3.991 20 0 DHADMM C[C@H]1CCc2c(C(=O)Nc3c([O-])cccc3F)csc2C1 ZINC000605438365 1039681817 /nfs/dbraw/zinc/68/18/17/1039681817.db2.gz SSDDOJHNWBVAPY-VIFPVBQESA-N -1 1 305.374 3.970 20 0 DHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)c1 ZINC000608258181 1040427432 /nfs/dbraw/zinc/42/74/32/1040427432.db2.gz JLNFMXCDBONMKY-UHFFFAOYSA-N -1 1 321.446 3.631 20 0 DHADMM O=C(Nc1c([O-])cccc1F)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000608367396 1040474638 /nfs/dbraw/zinc/47/46/38/1040474638.db2.gz YHINQQXVQNTEQH-LIRRHRJNSA-N -1 1 311.356 3.764 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1ccc(-n2cccc2)c(F)c1 ZINC000608367179 1040475133 /nfs/dbraw/zinc/47/51/33/1040475133.db2.gz LCTQRLSSWIGJND-UHFFFAOYSA-N -1 1 314.291 3.713 20 0 DHADMM O=C(Nc1c([O-])cccc1F)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000608367300 1040475211 /nfs/dbraw/zinc/47/52/11/1040475211.db2.gz VVHKFNWICGBMSS-MNOVXSKESA-N -1 1 307.271 3.552 20 0 DHADMM O=C(Nc1c([O-])cccc1F)c1c[nH]c2cc(Cl)ccc21 ZINC000608367126 1040475519 /nfs/dbraw/zinc/47/55/19/1040475519.db2.gz USSWJQZMLDDWEZ-UHFFFAOYSA-N -1 1 304.708 3.918 20 0 DHADMM O=C(Nc1c([O-])cccc1F)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000608365384 1040475583 /nfs/dbraw/zinc/47/55/83/1040475583.db2.gz DZKQETTYXOWVGZ-IUCAKERBSA-N -1 1 307.271 3.552 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cccc([C@H]2CCOC2)c1 ZINC000761388189 1040893087 /nfs/dbraw/zinc/89/30/87/1040893087.db2.gz VUFNQXKCVOGCCH-ZDUSSCGKSA-N -1 1 317.772 3.802 20 0 DHADMM CCOCCC1(C(=O)Nc2ccc([O-])c(F)c2F)CCCC1 ZINC000456778614 1040917768 /nfs/dbraw/zinc/91/77/68/1040917768.db2.gz HGXGJJMWYSTWCF-UHFFFAOYSA-N -1 1 313.344 3.596 20 0 DHADMM CC[C@]1(C(C)C)C[C@H]1NC(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000457285930 1041069365 /nfs/dbraw/zinc/06/93/65/1041069365.db2.gz OQCPFIXAVXWUIP-CZUORRHYSA-N -1 1 311.809 3.609 20 0 DHADMM CCc1nc(C)c([C@H](C)N(C)C(=O)c2cc(F)ccc2[O-])s1 ZINC000091735860 193098715 /nfs/dbraw/zinc/09/87/15/193098715.db2.gz SDQWELVOVGVKEQ-JTQLQIEISA-N -1 1 322.405 3.692 20 0 DHADMM O=C([O-])[C@@H](CC1CCCCC1)NCc1cc2ccccc2o1 ZINC000417615375 335008921 /nfs/dbraw/zinc/00/89/21/335008921.db2.gz XGCJCUMTWQPKQG-MRXNPFEDSA-N -1 1 301.386 3.946 20 0 DHADMM C[C@@H](C1CC1)N(C(=O)c1ccc(Br)cc1[O-])C1CC1 ZINC000093946050 193331000 /nfs/dbraw/zinc/33/10/00/193331000.db2.gz ODIGKQBXLQQVMA-VIFPVBQESA-N -1 1 324.218 3.558 20 0 DHADMM COc1cc(C(=O)N2CCC[C@@H]2c2ccco2)cc(Cl)c1[O-] ZINC000135117905 335023579 /nfs/dbraw/zinc/02/35/79/335023579.db2.gz RUCFJBDPSPVJAN-GFCCVEGCSA-N -1 1 321.760 3.625 20 0 DHADMM Cc1cc(CNCc2cnc(C(C)C)s2)ccc1C(=O)[O-] ZINC000417673079 335038095 /nfs/dbraw/zinc/03/80/95/335038095.db2.gz VLPOZILOEXUKFW-UHFFFAOYSA-N -1 1 304.415 3.563 20 0 DHADMM Cc1csc(-c2nc(=O)c3c4c(sc3[n-]2)CCCCC4)n1 ZINC000183641386 335039700 /nfs/dbraw/zinc/03/97/00/335039700.db2.gz CWJIEEHQHQVXIM-UHFFFAOYSA-N -1 1 317.439 3.685 20 0 DHADMM CC(C)Oc1cccc(CN(C)C(=O)c2cc(F)ccc2[O-])c1 ZINC000152380898 335043209 /nfs/dbraw/zinc/04/32/09/335043209.db2.gz ITVSLEZHAPXXOV-UHFFFAOYSA-N -1 1 317.360 3.591 20 0 DHADMM CCOc1cc(C(=O)N(CC(C)C)C2CC2)cc(Cl)c1[O-] ZINC000273939568 130189524 /nfs/dbraw/zinc/18/95/24/130189524.db2.gz JPFBLSOLHLFQEU-UHFFFAOYSA-N -1 1 311.809 3.705 20 0 DHADMM O=C(c1cncc([O-])c1)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000275338654 130306244 /nfs/dbraw/zinc/30/62/44/130306244.db2.gz WRVBEMLQUJJEHT-OTWHNJEPSA-N -1 1 322.408 3.586 20 0 DHADMM CC[C@@H](c1ccccc1)N(CC)C(=O)C(=O)c1ccc([O-])cc1 ZINC000287698524 131295886 /nfs/dbraw/zinc/29/58/86/131295886.db2.gz MSVQVVZXANPGGG-KRWDZBQOSA-N -1 1 311.381 3.575 20 0 DHADMM CC(=O)c1cc(F)c([N-]C(=O)c2nc(C(C)C)oc2C)c(F)c1 ZINC000288590008 131331510 /nfs/dbraw/zinc/33/15/10/131331510.db2.gz JLPAEZQQICATLR-UHFFFAOYSA-N -1 1 322.311 3.840 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)N[C@H](C1CC1)C(F)(F)F ZINC000288898423 131344153 /nfs/dbraw/zinc/34/41/53/131344153.db2.gz RWNWXOQRZXSEGQ-SNVBAGLBSA-N -1 1 308.687 3.508 20 0 DHADMM Cc1oc(C(C)C)nc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000289070194 131356529 /nfs/dbraw/zinc/35/65/29/131356529.db2.gz MFXSGCWZYRYGFK-UHFFFAOYSA-N -1 1 303.293 3.668 20 0 DHADMM CO[C@H]1CCC[C@H](Cc2nc(-c3ccc([O-])cc3Cl)no2)C1 ZINC000289116587 131358882 /nfs/dbraw/zinc/35/88/82/131358882.db2.gz PYQMVOKMWULACH-JQWIXIFHSA-N -1 1 322.792 3.843 20 0 DHADMM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CCC1(F)F ZINC000291073245 131541662 /nfs/dbraw/zinc/54/16/62/131541662.db2.gz YWWPQFKINMHRDL-QMMMGPOBSA-N -1 1 323.261 3.528 20 0 DHADMM Cc1cc2cc(CN[C@H](CC3CCC3)C(=O)[O-])oc2cc1C ZINC000417714410 335070346 /nfs/dbraw/zinc/07/03/46/335070346.db2.gz ZRYLNGGQQMVOPG-MRXNPFEDSA-N -1 1 301.386 3.783 20 0 DHADMM COc1ccccc1[C@H]([N-]c1nnc(C(C)C)o1)c1ccccn1 ZINC000516950930 435563671 /nfs/dbraw/zinc/56/36/71/435563671.db2.gz BRSCXCSTGFYHBT-INIZCTEOSA-N -1 1 324.384 3.798 20 0 DHADMM Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C)c(F)cc2F)c1 ZINC000175762470 332905529 /nfs/dbraw/zinc/90/55/29/332905529.db2.gz NVQFHGFTVPGCRI-UHFFFAOYSA-N -1 1 315.316 3.522 20 0 DHADMM CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ncccc2F)cc1 ZINC000180265442 331565210 /nfs/dbraw/zinc/56/52/10/331565210.db2.gz IUCAESFDTBZNKW-UHFFFAOYSA-N -1 1 322.405 3.709 20 0 DHADMM O=C(NC1CCCCCC1)c1ccc(Br)c([O-])c1 ZINC000132808559 332133467 /nfs/dbraw/zinc/13/34/67/332133467.db2.gz HQJULNPNMJDYSM-UHFFFAOYSA-N -1 1 312.207 3.607 20 0 DHADMM O=C([O-])[C@H](NCc1cc(F)cc(Cl)c1)c1ccccc1F ZINC000426779625 332152239 /nfs/dbraw/zinc/15/22/39/332152239.db2.gz JQNJPZXFHUEZBY-CQSZACIVSA-N -1 1 311.715 3.534 20 0 DHADMM CCSc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000426786010 332153138 /nfs/dbraw/zinc/15/31/38/332153138.db2.gz RYUGUEWZDMELNA-MRXNPFEDSA-N -1 1 319.401 3.853 20 0 DHADMM COc1cccc([C@H](CC(=O)[O-])NCc2ccccc2Cl)c1 ZINC000426788691 332153729 /nfs/dbraw/zinc/15/37/29/332153729.db2.gz OTLOMJRSKLFEAV-INIZCTEOSA-N -1 1 319.788 3.654 20 0 DHADMM Cc1ccc(-c2n[nH]c(NC(=O)C3CCC(C)(C)CC3)n2)o1 ZINC000426990382 332164093 /nfs/dbraw/zinc/16/40/93/332164093.db2.gz HYSVCQKWLXDUHZ-UHFFFAOYSA-N -1 1 302.378 3.528 20 0 DHADMM O=C(c1ncccc1[O-])N(Cc1ccccc1)C1CCCCC1 ZINC000427003643 332164657 /nfs/dbraw/zinc/16/46/57/332164657.db2.gz ZAEGKUAUANWBRC-UHFFFAOYSA-N -1 1 310.397 3.762 20 0 DHADMM Cc1ccc(CS(=O)(=O)[N-]c2ncccc2C(C)C)cc1C ZINC000583404452 332389755 /nfs/dbraw/zinc/38/97/55/332389755.db2.gz UZADPENHOKXYDE-UHFFFAOYSA-N -1 1 318.442 3.764 20 0 DHADMM CCc1nc(SCc2nc3ccccc3s2)[n-]c(=O)c1C ZINC000580214542 333014027 /nfs/dbraw/zinc/01/40/27/333014027.db2.gz YWDAZYVSJALNBQ-UHFFFAOYSA-N -1 1 317.439 3.955 20 0 DHADMM O=S(=O)([N-]c1ncccc1Cl)c1cccc2ccccc21 ZINC000180193640 333027138 /nfs/dbraw/zinc/02/71/38/333027138.db2.gz IGEUXTSXZOZATR-UHFFFAOYSA-N -1 1 318.785 3.689 20 0 DHADMM Cn1cccc1[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000180352034 333027941 /nfs/dbraw/zinc/02/79/41/333027941.db2.gz DDJHYFYRDHIQTB-SFHVURJKSA-N -1 1 320.392 3.861 20 0 DHADMM CC(C)(C)c1ccc(O)c(NC(=O)c2ccc([O-])cc2F)c1 ZINC000181073739 333029442 /nfs/dbraw/zinc/02/94/42/333029442.db2.gz YVRWPROBRFJRHT-UHFFFAOYSA-N -1 1 303.333 3.787 20 0 DHADMM CCOc1cccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c1 ZINC000460840173 333150756 /nfs/dbraw/zinc/15/07/56/333150756.db2.gz OXVLXBVRSCDHIB-UHFFFAOYSA-N -1 1 323.389 3.642 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1C[C@]12CCCc1ccccc12 ZINC000531756435 333552479 /nfs/dbraw/zinc/55/24/79/333552479.db2.gz JUVIPLKGEHKZOZ-BEFAXECRSA-N -1 1 311.356 3.764 20 0 DHADMM [O-]c1ccc(-c2noc([C@@H]3C[C@@]34CCc3ccccc34)n2)cc1F ZINC000563342352 333591482 /nfs/dbraw/zinc/59/14/82/333591482.db2.gz AESGJUAESACUNV-IFXJQAMLSA-N -1 1 322.339 3.953 20 0 DHADMM [O-]c1ccc(F)cc1-c1nc(-c2ccccc2OC(F)F)no1 ZINC000436894779 334015925 /nfs/dbraw/zinc/01/59/25/334015925.db2.gz SDFUZJAFZKBBHP-UHFFFAOYSA-N -1 1 322.242 3.850 20 0 DHADMM C[C@@H](CNC(=O)c1ccc(Cl)cc1[O-])Cc1cccs1 ZINC000436930315 334017562 /nfs/dbraw/zinc/01/75/62/334017562.db2.gz WWJLVYZNSRCTMN-SNVBAGLBSA-N -1 1 309.818 3.716 20 0 DHADMM CC(C)N(CC(=O)[O-])Cc1ccc(-c2cccc(F)c2F)o1 ZINC000414667368 334063363 /nfs/dbraw/zinc/06/33/63/334063363.db2.gz WGFKAVKOTJIEIX-UHFFFAOYSA-N -1 1 309.312 3.520 20 0 DHADMM CC(C)c1cc(C(=O)[N-]c2nnc(-c3ccccc3)s2)no1 ZINC000343556845 335172150 /nfs/dbraw/zinc/17/21/50/335172150.db2.gz OTIQJSRZTVASDY-UHFFFAOYSA-N -1 1 314.370 3.569 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1F ZINC000048652590 334291051 /nfs/dbraw/zinc/29/10/51/334291051.db2.gz QIRBQIHNGLPIBG-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM Cc1cc(N2CCC(C(=O)[O-])CC2)c2cc(Cl)cc(C)c2n1 ZINC000416383673 334664251 /nfs/dbraw/zinc/66/42/51/334664251.db2.gz GQSOTWFIUXFFIL-UHFFFAOYSA-N -1 1 318.804 3.806 20 0 DHADMM CO[C@@H](C)c1cccc(NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000348214134 335562041 /nfs/dbraw/zinc/56/20/41/335562041.db2.gz NXXVSMHPXUFWGP-VIFPVBQESA-N -1 1 307.296 3.630 20 0 DHADMM CCC(=O)c1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445471802 338495874 /nfs/dbraw/zinc/49/58/74/338495874.db2.gz OGHGSSRUHOASRJ-UHFFFAOYSA-N -1 1 312.300 3.841 20 0 DHADMM CC[C@@H](C)c1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)on1 ZINC000445481537 338496434 /nfs/dbraw/zinc/49/64/34/338496434.db2.gz LOCZQLBFXXCZOF-MRVPVSSYSA-N -1 1 303.293 3.750 20 0 DHADMM O=S(=O)([N-]c1cc(Cl)c(Cl)cc1F)c1ccoc1 ZINC000350971528 336001761 /nfs/dbraw/zinc/00/17/61/336001761.db2.gz MTKTUEMZLQDEMV-UHFFFAOYSA-N -1 1 310.133 3.526 20 0 DHADMM O=c1cc(C(F)F)nc(SCc2ncc(Cl)s2)[n-]1 ZINC000351284097 336025413 /nfs/dbraw/zinc/02/54/13/336025413.db2.gz BEABVQARLLXDQZ-UHFFFAOYSA-N -1 1 309.750 3.522 20 0 DHADMM C[C@H]1C[C@@H](c2nc(-c3ccc([O-])cc3Cl)no2)CCC1=O ZINC000331636910 336142710 /nfs/dbraw/zinc/14/27/10/336142710.db2.gz IVKBXZSMQXPERF-IUCAKERBSA-N -1 1 306.749 3.568 20 0 DHADMM Cc1nc([C@H]2CCCN(Cc3cc(O)cc(F)c3)C2)sc1C ZINC000351997959 336187223 /nfs/dbraw/zinc/18/72/23/336187223.db2.gz WWDYVVMNXNVNPG-AWEZNQCLSA-N -1 1 320.433 3.984 20 0 DHADMM CN(C)c1cccc([C@@H]2CCCN2Cc2cc(O)cc(F)c2)c1 ZINC000351997273 336187235 /nfs/dbraw/zinc/18/72/35/336187235.db2.gz SWQUEYZTQLJJNT-IBGZPJMESA-N -1 1 314.404 3.934 20 0 DHADMM Cc1cnc(C(=O)N2C[C@H](c3ccccc3)C3(CCC3)C2)c([O-])c1 ZINC000333945897 336213669 /nfs/dbraw/zinc/21/36/69/336213669.db2.gz UDCXIEORNXFRPD-MRXNPFEDSA-N -1 1 322.408 3.506 20 0 DHADMM O=C([O-])C[C@H]1CCCN(Cc2csc(-c3cccs3)n2)C1 ZINC000532712301 336267912 /nfs/dbraw/zinc/26/79/12/336267912.db2.gz WOZASPDXVJJCCO-LLVKDONJSA-N -1 1 322.455 3.558 20 0 DHADMM O=C(Nc1ccc(Cl)cc1[O-])c1cc(-c2ccccc2)[nH]n1 ZINC000532838498 336272675 /nfs/dbraw/zinc/27/26/75/336272675.db2.gz ZFXREYUIIZECOD-UHFFFAOYSA-N -1 1 313.744 3.688 20 0 DHADMM Cc1ccnc(Sc2nnc([N-]c3ccccc3F)s2)n1 ZINC000301273675 336298116 /nfs/dbraw/zinc/29/81/16/336298116.db2.gz KZOBYTVOGKFRMY-UHFFFAOYSA-N -1 1 319.390 3.670 20 0 DHADMM Cc1nc(-c2ccc(NCCC3CCCC3)nc2)[n-]c(=O)c1C ZINC000301361264 336302596 /nfs/dbraw/zinc/30/25/96/336302596.db2.gz LZVJYVOUUQEKOV-UHFFFAOYSA-N -1 1 312.417 3.853 20 0 DHADMM C[C@H]1CCC[C@H](CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)C1 ZINC000355990939 336531242 /nfs/dbraw/zinc/53/12/42/336531242.db2.gz PCGBYSWREHQFRY-STQMWFEESA-N -1 1 313.401 3.937 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1ccn(Cc2ccccc2)c1 ZINC000359367435 336669630 /nfs/dbraw/zinc/66/96/30/336669630.db2.gz QUVHABWLYVOBKN-UHFFFAOYSA-N -1 1 310.328 3.633 20 0 DHADMM CCOc1cc(C(=O)N2CC[C@H](CC3CC3)C2)cc(Cl)c1[O-] ZINC000359704037 336684391 /nfs/dbraw/zinc/68/43/91/336684391.db2.gz KNMACNPIJLOBPV-GFCCVEGCSA-N -1 1 323.820 3.707 20 0 DHADMM O=c1nc(CN(Cc2ccccc2)C2CC2)[n-]c2ccsc21 ZINC000025124438 337020822 /nfs/dbraw/zinc/02/08/22/337020822.db2.gz DODZVYGSSGFGEN-UHFFFAOYSA-N -1 1 311.410 3.562 20 0 DHADMM C[C@@H]1C[C@H](c2cccnc2)N(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000182809416 337188390 /nfs/dbraw/zinc/18/83/90/337188390.db2.gz CZXLXOLOTMXDHN-IAQYHMDHSA-N -1 1 316.788 3.664 20 0 DHADMM Cc1ccoc1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000182929909 337190774 /nfs/dbraw/zinc/19/07/74/337190774.db2.gz BQMBQGIPPNRFEP-UHFFFAOYSA-N -1 1 310.147 3.617 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2nc(-c3ccco3)n[nH]2)s1 ZINC000183698161 337192979 /nfs/dbraw/zinc/19/29/79/337192979.db2.gz UPBDKEKHJGVUEQ-UHFFFAOYSA-N -1 1 302.359 3.502 20 0 DHADMM CCCCOc1ccc(C(=O)Nc2cnn(C(C)C)c2)c([O-])c1 ZINC000583178337 337255564 /nfs/dbraw/zinc/25/55/64/337255564.db2.gz QLGAGECRPIXKIR-UHFFFAOYSA-N -1 1 317.389 3.601 20 0 DHADMM CCOc1cc(C(=O)N(C)[C@@H](C)C2(C)CC2)cc(Cl)c1[O-] ZINC000186856902 337260808 /nfs/dbraw/zinc/26/08/08/337260808.db2.gz YUBKCTZFQXALQT-JTQLQIEISA-N -1 1 311.809 3.705 20 0 DHADMM COCc1ccccc1NC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000190934537 337291472 /nfs/dbraw/zinc/29/14/72/337291472.db2.gz ULPKNZLXFCXQLN-UHFFFAOYSA-N -1 1 306.749 3.836 20 0 DHADMM Cc1nc(C)c([C@@H](C)N(C)Cc2ccc(F)cc2C(=O)[O-])s1 ZINC000583877473 337369183 /nfs/dbraw/zinc/36/91/83/337369183.db2.gz LJUVJYKAMMWOHX-SNVBAGLBSA-N -1 1 322.405 3.790 20 0 DHADMM O=c1cc(C(F)F)nc(SCc2nc(C3CC3)cs2)[n-]1 ZINC000583900794 337384837 /nfs/dbraw/zinc/38/48/37/337384837.db2.gz VKQPHKFVSFOSIE-UHFFFAOYSA-N -1 1 315.370 3.746 20 0 DHADMM O=C([N-]c1nc(-c2ccsc2)ns1)c1c(F)cccc1F ZINC000109110412 337388149 /nfs/dbraw/zinc/38/81/49/337388149.db2.gz JUPFVQKQZBGTMZ-UHFFFAOYSA-N -1 1 323.349 3.797 20 0 DHADMM CC(C)c1cnc(-c2ccc(NC(=O)c3cncc([O-])c3)cc2)o1 ZINC000116988145 337393042 /nfs/dbraw/zinc/39/30/42/337393042.db2.gz FHFQTJDINKFTFD-UHFFFAOYSA-N -1 1 323.352 3.818 20 0 DHADMM C[C@]1(C(=O)[O-])CCN(c2ccnc3cc(C(F)(F)F)ccc32)C1 ZINC000263431904 337628939 /nfs/dbraw/zinc/62/89/39/337628939.db2.gz TXNLMKVEKXWGKF-HNNXBMFYSA-N -1 1 324.302 3.555 20 0 DHADMM CCOc1cc(-c2noc(-c3ccoc3)n2)cc(Cl)c1[O-] ZINC000445410241 337676495 /nfs/dbraw/zinc/67/64/95/337676495.db2.gz YZPORZURCBKOFB-UHFFFAOYSA-N -1 1 306.705 3.754 20 0 DHADMM CC(=O)[C@@H]1C[C@H](c2nc(-c3ccc([O-])cc3Cl)no2)C1(C)C ZINC000580482181 337681349 /nfs/dbraw/zinc/68/13/49/337681349.db2.gz HZQUBHNBCJWUHU-NWDGAFQWSA-N -1 1 320.776 3.814 20 0 DHADMM O=S(=O)([N-]c1ccc(-c2nccs2)cc1)c1ccccc1 ZINC000036123045 337744939 /nfs/dbraw/zinc/74/49/39/337744939.db2.gz UTGDDHQCSHPGAY-UHFFFAOYSA-N -1 1 316.407 3.611 20 0 DHADMM [O-]c1ccc(-c2noc(/C=C\c3ccc(F)cc3)n2)c(F)c1 ZINC000445464867 337788181 /nfs/dbraw/zinc/78/81/81/337788181.db2.gz VVRLWEBWXQOQMO-BAQGIRSFSA-N -1 1 300.264 3.891 20 0 DHADMM CC1(C)CC[C@@](NCc2cccs2)(C(=O)[O-])c2ccccc21 ZINC000314900048 337973714 /nfs/dbraw/zinc/97/37/14/337973714.db2.gz BOUYHTNAEPBYPH-SFHVURJKSA-N -1 1 315.438 3.889 20 0 DHADMM CCC(=C([O-])c1ccccc1)S(=O)(=O)c1ccc(C)c(C)c1 ZINC000315325661 337984447 /nfs/dbraw/zinc/98/44/47/337984447.db2.gz UZARCHYZWHVFMB-KRWDZBQOSA-N -1 1 316.422 3.739 20 0 DHADMM COCc1cccc(-c2nc(-c3ccc([O-])cc3Cl)no2)c1 ZINC000445451067 338016296 /nfs/dbraw/zinc/01/62/96/338016296.db2.gz AEOJFIFJGFSNRC-UHFFFAOYSA-N -1 1 316.744 3.909 20 0 DHADMM CCCS(=O)(=O)[N-]c1ccc(-c2ccc(Cl)s2)cn1 ZINC000433143437 338182854 /nfs/dbraw/zinc/18/28/54/338182854.db2.gz YYHCAHJXTVBBCG-UHFFFAOYSA-N -1 1 316.835 3.615 20 0 DHADMM CCc1cc(=O)[n-]c(SCc2ccccc2OC(C)C)n1 ZINC000436245420 338263171 /nfs/dbraw/zinc/26/31/71/338263171.db2.gz NAFRBEMVRZBZDC-UHFFFAOYSA-N -1 1 304.415 3.824 20 0 DHADMM O=C(CCC1CCCC1)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000436246300 338263355 /nfs/dbraw/zinc/26/33/55/338263355.db2.gz PUNSYMHWICVHDM-UHFFFAOYSA-N -1 1 306.431 3.691 20 0 DHADMM C=Cc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2)cc1 ZINC000436478625 338273635 /nfs/dbraw/zinc/27/36/35/338273635.db2.gz NDRAQUOHNCLSEX-UHFFFAOYSA-N -1 1 305.424 3.852 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CC2(CCC2)c2c1cccc2F ZINC000436535632 338275710 /nfs/dbraw/zinc/27/57/10/338275710.db2.gz NLUBVTGMPPWXII-UHFFFAOYSA-N -1 1 315.319 3.753 20 0 DHADMM CC(C)(C)Oc1ccccc1NC(=O)c1cc(F)ccc1[O-] ZINC000436544822 338276351 /nfs/dbraw/zinc/27/63/51/338276351.db2.gz KWYDARBDSDSRTG-UHFFFAOYSA-N -1 1 303.333 3.961 20 0 DHADMM CCCC(=O)Nc1cccc(NC(=O)c2cc(F)ccc2[O-])c1 ZINC000436546347 338276487 /nfs/dbraw/zinc/27/64/87/338276487.db2.gz JVIQKHHFXXESTR-UHFFFAOYSA-N -1 1 316.332 3.522 20 0 DHADMM CC(C)n1cc2cc(NC(=O)c3cc(F)ccc3[O-])ccc2n1 ZINC000436548078 338276557 /nfs/dbraw/zinc/27/65/57/338276557.db2.gz LXGJBFBILBAFSP-UHFFFAOYSA-N -1 1 313.332 3.714 20 0 DHADMM O=C(Nc1nc(-c2ccccc2F)co1)c1cc(F)ccc1[O-] ZINC000436558806 338277156 /nfs/dbraw/zinc/27/71/56/338277156.db2.gz XNKBKIXVBIUBBR-UHFFFAOYSA-N -1 1 316.263 3.578 20 0 DHADMM COc1cccc(F)c1[C@@H](C)NC(=O)c1cc(Cl)ccc1[O-] ZINC000436564083 338277256 /nfs/dbraw/zinc/27/72/56/338277256.db2.gz JCMJOACGGRQLFV-SECBINFHSA-N -1 1 323.751 3.684 20 0 DHADMM Cc1ccc(CC[C@@H](C)NC(=O)c2cc(Cl)ccc2[O-])o1 ZINC000436566804 338277421 /nfs/dbraw/zinc/27/74/21/338277421.db2.gz MSTCDDACEHFWNZ-SNVBAGLBSA-N -1 1 307.777 3.698 20 0 DHADMM O=C(Nc1cc(C2CC2)nn1-c1ccccc1)c1ccccc1[O-] ZINC000436567963 338277529 /nfs/dbraw/zinc/27/75/29/338277529.db2.gz QFDDQLBXKKGYEI-UHFFFAOYSA-N -1 1 319.364 3.708 20 0 DHADMM C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)c1cc(F)ccc1[O-] ZINC000436580634 338278140 /nfs/dbraw/zinc/27/81/40/338278140.db2.gz CHMGHTVOPDXLRP-VIFPVBQESA-N -1 1 321.298 3.569 20 0 DHADMM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cc(F)ccc2[O-])C1 ZINC000436590172 338278727 /nfs/dbraw/zinc/27/87/27/338278727.db2.gz RQTFATHKYZEHBC-MEDUHNTESA-N -1 1 317.335 3.894 20 0 DHADMM COc1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])cc1F ZINC000436593873 338279125 /nfs/dbraw/zinc/27/91/25/338279125.db2.gz DZMKCYVJLRZZRM-UHFFFAOYSA-N -1 1 303.333 3.916 20 0 DHADMM COc1ccc(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)c([O-])c1 ZINC000436619181 338280259 /nfs/dbraw/zinc/28/02/59/338280259.db2.gz VTEGUYVZKZHRGJ-UHFFFAOYSA-N -1 1 308.337 3.648 20 0 DHADMM O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)c1ccc([O-])cc1F ZINC000436732373 338284692 /nfs/dbraw/zinc/28/46/92/338284692.db2.gz CWKAHEAMCLJUME-LSDHHAIUSA-N -1 1 313.372 3.988 20 0 DHADMM CCN(Cc1ccccc1Cl)C(=O)c1cc(F)ccc1[O-] ZINC000436749120 338285256 /nfs/dbraw/zinc/28/52/56/338285256.db2.gz SEQONZCCIDVSMY-UHFFFAOYSA-N -1 1 307.752 3.847 20 0 DHADMM CC[C@]1(C)CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000436751578 338285393 /nfs/dbraw/zinc/28/53/93/338285393.db2.gz MOZNAVZFMIUOES-CQSZACIVSA-N -1 1 301.308 3.673 20 0 DHADMM C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C(C)(C)C1 ZINC000436749990 338285403 /nfs/dbraw/zinc/28/54/03/338285403.db2.gz DDKRIXLBHROTDW-SECBINFHSA-N -1 1 301.308 3.672 20 0 DHADMM O=C(N[C@@H]1CCSc2c(F)cccc21)c1cc(F)ccc1[O-] ZINC000436756397 338285733 /nfs/dbraw/zinc/28/57/33/338285733.db2.gz DAFXDKVQYNYRMP-CYBMUJFWSA-N -1 1 321.348 3.637 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3)c([O-])c1 ZINC000436757596 338285855 /nfs/dbraw/zinc/28/58/55/338285855.db2.gz JKCNDFHQDIOWPF-UHFFFAOYSA-N -1 1 324.380 3.653 20 0 DHADMM CN(Cc1cccc2ccccc21)C(=O)c1cc(F)ccc1[O-] ZINC000436760544 338286190 /nfs/dbraw/zinc/28/61/90/338286190.db2.gz QGORESHPGRNEDI-UHFFFAOYSA-N -1 1 309.340 3.957 20 0 DHADMM Cc1ccccc1CN(C)C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000436761899 338286250 /nfs/dbraw/zinc/28/62/50/338286250.db2.gz AYYDOQZWSCPXMC-UHFFFAOYSA-N -1 1 323.314 3.992 20 0 DHADMM CCC1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1 ZINC000436778203 338286932 /nfs/dbraw/zinc/28/69/32/338286932.db2.gz QPOZXRBVUSPFLW-UHFFFAOYSA-N -1 1 301.308 3.673 20 0 DHADMM C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)c1cc(F)ccc1[O-] ZINC000436783560 338287129 /nfs/dbraw/zinc/28/71/29/338287129.db2.gz MQUIDYBACVTEMY-UKRRQHHQSA-N -1 1 313.372 3.940 20 0 DHADMM CC(=O)c1ccc(NC(=O)c2ccc(C)cc2[O-])cc1Cl ZINC000436796054 338287722 /nfs/dbraw/zinc/28/77/22/338287722.db2.gz SXLPXNIIYQMPJY-UHFFFAOYSA-N -1 1 303.745 3.809 20 0 DHADMM COc1cc(NC(=O)c2cc(F)ccc2[O-])ccc1OC(C)C ZINC000436807783 338288173 /nfs/dbraw/zinc/28/81/73/338288173.db2.gz ZCGBBTHSAUFZEI-UHFFFAOYSA-N -1 1 319.332 3.579 20 0 DHADMM C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])CC1(F)F ZINC000436806646 338288191 /nfs/dbraw/zinc/28/81/91/338288191.db2.gz ILWPJHROUKBCRJ-MRVPVSSYSA-N -1 1 323.261 3.528 20 0 DHADMM Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3cc(F)ccc3[O-])C2)cc1 ZINC000436829815 338289011 /nfs/dbraw/zinc/28/90/11/338289011.db2.gz TYWHKGRXEAKGKV-ZFWWWQNUSA-N -1 1 313.372 3.858 20 0 DHADMM CC(C)(C)[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C1 ZINC000436835848 338289141 /nfs/dbraw/zinc/28/91/41/338289141.db2.gz FUETUGRRODJQSN-LLVKDONJSA-N -1 1 315.335 3.919 20 0 DHADMM C[C@H](NC(=O)c1ccc([O-])cc1F)c1ccc2c(c1)CCCC2 ZINC000436860463 338290248 /nfs/dbraw/zinc/29/02/48/338290248.db2.gz GSYKMIGOFKEOKX-LBPRGKRZSA-N -1 1 313.372 3.901 20 0 DHADMM O=C(NCC1(c2ccccc2)CCCC1)c1ccc([O-])cc1F ZINC000436862818 338290384 /nfs/dbraw/zinc/29/03/84/338290384.db2.gz PXEAJAXWCPWYHX-UHFFFAOYSA-N -1 1 313.372 3.773 20 0 DHADMM CC1CCC(OCc2nc(-c3ccc([O-])cc3F)no2)CC1 ZINC000436871885 338290923 /nfs/dbraw/zinc/29/09/23/338290923.db2.gz JFAZMUZIFGULIX-UHFFFAOYSA-N -1 1 306.337 3.677 20 0 DHADMM CC(C)[C@@H](c1nc(-c2ccc([O-])c(F)c2)no1)c1cccnc1 ZINC000436877461 338291242 /nfs/dbraw/zinc/29/12/42/338291242.db2.gz GMDJSAMMLDHGOG-OAHLLOKOSA-N -1 1 313.332 3.764 20 0 DHADMM Cc1cc2n[nH]cc2cc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436889376 338291931 /nfs/dbraw/zinc/29/19/31/338291931.db2.gz WLZCDPTXPDNEMA-UHFFFAOYSA-N -1 1 317.348 3.982 20 0 DHADMM O=C(N[C@H]1CCCOc2ccccc21)c1ccc(Cl)cc1[O-] ZINC000436887023 338291964 /nfs/dbraw/zinc/29/19/64/338291964.db2.gz ILUDZUHXNVSRBI-AWEZNQCLSA-N -1 1 317.772 3.689 20 0 DHADMM O=C(N[C@@H](c1ccccc1)C1CCCC1)C(=O)c1ccc([O-])cc1 ZINC000436892092 338292116 /nfs/dbraw/zinc/29/21/16/338292116.db2.gz ZHUDMVPYJTXXTR-SFHVURJKSA-N -1 1 323.392 3.623 20 0 DHADMM O=C(NCc1cc2ccccc2[nH]1)c1ccc2ccccc2c1[O-] ZINC000436893755 338292388 /nfs/dbraw/zinc/29/23/88/338292388.db2.gz OSYSFYBIYMJEAG-UHFFFAOYSA-N -1 1 316.360 3.957 20 0 DHADMM Cc1cncc(-c2noc(-c3ccc4ccccc4c3[O-])n2)c1 ZINC000436893636 338292423 /nfs/dbraw/zinc/29/24/23/338292423.db2.gz OKBXEEORZYUCIK-UHFFFAOYSA-N -1 1 303.321 3.966 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N1CCc2c(Cl)cccc2C1 ZINC000436899263 338292644 /nfs/dbraw/zinc/29/26/44/338292644.db2.gz JNLAYCYRAXGGDN-UHFFFAOYSA-N -1 1 322.191 3.898 20 0 DHADMM Cc1[nH]c2ccccc2c1Cc1noc(-c2cc(F)ccc2[O-])n1 ZINC000436919495 338293538 /nfs/dbraw/zinc/29/35/38/338293538.db2.gz LMLVJKVIBAKCBI-UHFFFAOYSA-N -1 1 323.327 3.962 20 0 DHADMM O=C(N[C@@H]1CCc2sc(Cl)cc21)c1c([O-])cccc1F ZINC000436926304 338293859 /nfs/dbraw/zinc/29/38/59/338293859.db2.gz JLZKRIFLRLAZCL-SECBINFHSA-N -1 1 311.765 3.664 20 0 DHADMM C[C@H](CNC(=O)c1ccc(Cl)cc1[O-])Cc1cccs1 ZINC000436930314 338293945 /nfs/dbraw/zinc/29/39/45/338293945.db2.gz WWJLVYZNSRCTMN-JTQLQIEISA-N -1 1 309.818 3.716 20 0 DHADMM COc1ccc(-c2nc([C@H](C)Oc3ccccc3)no2)c([O-])c1 ZINC000436931212 338294238 /nfs/dbraw/zinc/29/42/38/338294238.db2.gz JWMJVXYIYQRMHB-NSHDSACASA-N -1 1 312.325 3.591 20 0 DHADMM O=C(N[C@@H]1CCSc2ccc(F)cc21)c1c([O-])cccc1F ZINC000436951654 338295553 /nfs/dbraw/zinc/29/55/53/338295553.db2.gz ZRSZYWOWRMCVDP-GFCCVEGCSA-N -1 1 321.348 3.637 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000436984110 338296858 /nfs/dbraw/zinc/29/68/58/338296858.db2.gz LQSZOFBECOFVLB-GFCCVEGCSA-N -1 1 319.763 3.814 20 0 DHADMM O=C(N[C@H]1CC[C@@H](c2ccc(F)cc2)C1)c1c([O-])cccc1F ZINC000437005098 338297544 /nfs/dbraw/zinc/29/75/44/338297544.db2.gz VENDYNKZUYVMAX-OCCSQVGLSA-N -1 1 317.335 3.737 20 0 DHADMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc([C@@H](C)CC)cc2)c1C ZINC000438226187 338337167 /nfs/dbraw/zinc/33/71/67/338337167.db2.gz VDMAAXBHJFAZDQ-NSHDSACASA-N -1 1 321.446 3.595 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2ccsc2)ccc1OC(C)C ZINC000438770452 338351884 /nfs/dbraw/zinc/35/18/84/338351884.db2.gz FAUJOSUGGXTBQO-UHFFFAOYSA-N -1 1 311.428 3.645 20 0 DHADMM CCOc1ccc(S(=O)(=O)[N-]c2cscc2C)c(C)c1 ZINC000439057119 338359791 /nfs/dbraw/zinc/35/97/91/338359791.db2.gz NDEZWVXWEOBZOY-UHFFFAOYSA-N -1 1 311.428 3.564 20 0 DHADMM CCCOc1ccc(S(=O)(=O)[N-]c2cscc2C)cc1 ZINC000439056463 338359842 /nfs/dbraw/zinc/35/98/42/338359842.db2.gz KYJMNGULNKUIDW-UHFFFAOYSA-N -1 1 311.428 3.646 20 0 DHADMM O=C([O-])c1ccc2oc(/C=C/c3cc(F)c(O)c(F)c3)nc2c1 ZINC000439282697 338366012 /nfs/dbraw/zinc/36/60/12/338366012.db2.gz ZXELSULVNXLIRR-DAFODLJHSA-N -1 1 317.247 3.680 20 0 DHADMM CCCOc1ccc(Cl)cc1[N-]S(=O)(=O)CCCCF ZINC000450992085 338716188 /nfs/dbraw/zinc/71/61/88/338716188.db2.gz XZMCEIIVHMECRQ-UHFFFAOYSA-N -1 1 323.817 3.620 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000456797225 338941169 /nfs/dbraw/zinc/94/11/69/338941169.db2.gz ZNWGDXGICVAQGH-YUMQZZPRSA-N -1 1 323.261 3.978 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000456797221 338941208 /nfs/dbraw/zinc/94/12/08/338941208.db2.gz ZNWGDXGICVAQGH-JGVFFNPUSA-N -1 1 323.261 3.978 20 0 DHADMM C[C@H]1CC[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)[C@H](c2ccco2)C1 ZINC000459370117 339025187 /nfs/dbraw/zinc/02/51/87/339025187.db2.gz WXMZPZVOGYGHFT-WFASDCNBSA-N -1 1 313.401 3.626 20 0 DHADMM Cc1cc([C@@H](C)NCc2cc(=O)[nH]c(C3CC3)n2)c(C)s1 ZINC000459391988 339026606 /nfs/dbraw/zinc/02/66/06/339026606.db2.gz KUYMMQVBEDRICL-SNVBAGLBSA-N -1 1 303.431 3.589 20 0 DHADMM Cc1cc(Br)cc(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000467992302 339250595 /nfs/dbraw/zinc/25/05/95/339250595.db2.gz DPOHAUZRDZJOMJ-UHFFFAOYSA-N -1 1 324.149 3.855 20 0 DHADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccccc1N(C)C ZINC000468937434 339275274 /nfs/dbraw/zinc/27/52/74/339275274.db2.gz LEZVAAMKIKKQIJ-UHFFFAOYSA-N -1 1 318.442 3.677 20 0 DHADMM CCc1cc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)ccc1C ZINC000471587518 339348205 /nfs/dbraw/zinc/34/82/05/339348205.db2.gz IYCWEZHGQQINMU-UHFFFAOYSA-N -1 1 323.389 3.506 20 0 DHADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(Cl)c2C)c1 ZINC000476272150 339472977 /nfs/dbraw/zinc/47/29/77/339472977.db2.gz LUSJRNFVDLCLLQ-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000476274328 339473086 /nfs/dbraw/zinc/47/30/86/339473086.db2.gz OTCNIZKDGVESPJ-UHFFFAOYSA-N -1 1 315.316 3.815 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)ccc1F ZINC000477427997 339494569 /nfs/dbraw/zinc/49/45/69/339494569.db2.gz NCPDPCAGQBOVIG-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1C ZINC000479497809 339538192 /nfs/dbraw/zinc/53/81/92/339538192.db2.gz BTYQKNBOLNBVGM-UHFFFAOYSA-N -1 1 318.423 3.714 20 0 DHADMM Cc1coc2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc12 ZINC000479575644 339541910 /nfs/dbraw/zinc/54/19/10/339541910.db2.gz RCUGULSCYIOIAE-UHFFFAOYSA-N -1 1 323.320 3.820 20 0 DHADMM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2C)ccc1F ZINC000485123798 339698852 /nfs/dbraw/zinc/69/88/52/339698852.db2.gz RYGQUZVRVXNYCE-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM Cc1ccsc1S(=O)(=O)[N-]c1cc(C)c(F)cc1Cl ZINC000507578925 340225546 /nfs/dbraw/zinc/22/55/46/340225546.db2.gz AZURJMMKSZSNGT-UHFFFAOYSA-N -1 1 319.810 3.958 20 0 DHADMM O=S(=O)([N-]c1ccc(Cl)cc1)c1cccc2ncccc21 ZINC000508031560 340237799 /nfs/dbraw/zinc/23/77/99/340237799.db2.gz HFXFYKMTSAWNJP-UHFFFAOYSA-N -1 1 318.785 3.689 20 0 DHADMM CSc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000509102116 340261450 /nfs/dbraw/zinc/26/14/50/340261450.db2.gz DNJIWZBLWZRNKW-UHFFFAOYSA-N -1 1 313.831 3.863 20 0 DHADMM Cc1ccccc1NCCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000509178069 340263149 /nfs/dbraw/zinc/26/31/49/340263149.db2.gz KGMCZTHJQIWMSN-UHFFFAOYSA-N -1 1 304.777 3.795 20 0 DHADMM CSc1cccc(S(=O)(=O)[N-]c2cc(C)cc(F)c2)c1 ZINC000509384405 340267912 /nfs/dbraw/zinc/26/79/12/340267912.db2.gz MBWPLNAYEKLHNN-UHFFFAOYSA-N -1 1 311.403 3.657 20 0 DHADMM CCCCOc1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000511261156 340324570 /nfs/dbraw/zinc/32/45/70/340324570.db2.gz WIKRGVTXZJUDNI-UHFFFAOYSA-N -1 1 323.389 3.805 20 0 DHADMM CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000512831335 340379777 /nfs/dbraw/zinc/37/97/77/340379777.db2.gz FWGDWVWEDNUAHO-LBPRGKRZSA-N -1 1 323.389 3.804 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2CC=CCC2)c1 ZINC000182929537 340485938 /nfs/dbraw/zinc/48/59/38/340485938.db2.gz GNLWVRQJFHUXRZ-JTQLQIEISA-N -1 1 310.191 3.758 20 0 DHADMM COc1ccc(C(=O)Nc2ccc(C)c3ncccc23)c([O-])c1 ZINC000219057155 340501127 /nfs/dbraw/zinc/50/11/27/340501127.db2.gz IOUNXWQVTBDJOX-UHFFFAOYSA-N -1 1 308.337 3.510 20 0 DHADMM COc1cccc(F)c1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000187052513 340517482 /nfs/dbraw/zinc/51/74/82/340517482.db2.gz FQQCZBTVQHKYOZ-UHFFFAOYSA-N -1 1 323.389 3.759 20 0 DHADMM CC(C)(C)c1ncc(NC(=O)Nc2ccc([O-])c(Cl)c2)cn1 ZINC000190954292 340548467 /nfs/dbraw/zinc/54/84/67/340548467.db2.gz GMNKRNIFFHMTCL-UHFFFAOYSA-N -1 1 320.780 3.777 20 0 DHADMM Cc1cccc(Oc2ccccc2[N-]S(=O)(=O)C2CC2)c1 ZINC000524168169 340648951 /nfs/dbraw/zinc/64/89/51/340648951.db2.gz IVOWDPQZUQIWOP-UHFFFAOYSA-N -1 1 303.383 3.691 20 0 DHADMM CCO[C@H](c1noc(-c2ccc([O-])cc2F)n1)c1ccccc1 ZINC000322849022 340706671 /nfs/dbraw/zinc/70/66/71/340706671.db2.gz UZLWHOMBYVJFQF-HNNXBMFYSA-N -1 1 314.316 3.707 20 0 DHADMM C[C@@H]1C[C@@H](C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CCO1 ZINC000529538679 340760952 /nfs/dbraw/zinc/76/09/52/340760952.db2.gz JMLHENPXPPDGHW-MNOVXSKESA-N -1 1 319.788 3.952 20 0 DHADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc(C)ccc2Cl)c1 ZINC000123406937 340767906 /nfs/dbraw/zinc/76/79/06/340767906.db2.gz JVOFRNQEMFHEFJ-UHFFFAOYSA-N -1 1 318.760 3.565 20 0 DHADMM Cc1ccc(O)cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000530144026 340780713 /nfs/dbraw/zinc/78/07/13/340780713.db2.gz DJEWWWJNAIFFDJ-UHFFFAOYSA-N -1 1 305.399 3.625 20 0 DHADMM Cc1csc([C@@H](C)NC(=O)c2cc3ccccc3cc2[O-])n1 ZINC000067875496 340862664 /nfs/dbraw/zinc/86/26/64/340862664.db2.gz CFXVTXJGFXQAFX-LLVKDONJSA-N -1 1 312.394 3.801 20 0 DHADMM COc1cc(C(=O)NCCC2=CCCCC2)cc(Cl)c1[O-] ZINC000545178996 341111588 /nfs/dbraw/zinc/11/15/88/341111588.db2.gz OIFABXJQJZBQBB-UHFFFAOYSA-N -1 1 309.793 3.675 20 0 DHADMM COc1cc(C(=O)NC2(C3CCC3)CCC2)cc(Cl)c1[O-] ZINC000564297759 341149397 /nfs/dbraw/zinc/14/93/97/341149397.db2.gz WDEVSBWICQJUEW-UHFFFAOYSA-N -1 1 309.793 3.507 20 0 DHADMM O=C(c1ccc(Br)c([O-])c1)N1CCC[C@H]1C1CCC1 ZINC000133019868 341152026 /nfs/dbraw/zinc/15/20/26/341152026.db2.gz YKQDVALTYCBVMX-ZDUSSCGKSA-N -1 1 324.218 3.559 20 0 DHADMM CCOc1cc(C(=O)N2C[C@@H](C)C[C@@H]2CC)cc(Cl)c1[O-] ZINC000546558130 341173024 /nfs/dbraw/zinc/17/30/24/341173024.db2.gz JOOHRQQKENSOTM-JQWIXIFHSA-N -1 1 311.809 3.705 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2ccccc2CSC)cc1 ZINC000546780636 341182268 /nfs/dbraw/zinc/18/22/68/341182268.db2.gz DPSMMESDUFJAAU-UHFFFAOYSA-N -1 1 321.467 3.913 20 0 DHADMM COc1cc(C(=O)N[C@H](C)CCCC(C)C)cc(Cl)c1[O-] ZINC000547300085 341204111 /nfs/dbraw/zinc/20/41/11/341204111.db2.gz IDRLMICEFHBESV-LLVKDONJSA-N -1 1 313.825 3.999 20 0 DHADMM CN(CCCc1ccccc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000076382345 341206427 /nfs/dbraw/zinc/20/64/27/341206427.db2.gz OXAAHAXIYILYCC-UHFFFAOYSA-N -1 1 303.789 3.750 20 0 DHADMM CSCC[C@@H](C)N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000134341754 341213630 /nfs/dbraw/zinc/21/36/30/341213630.db2.gz YOUWOKIDDJTQKP-GFCCVEGCSA-N -1 1 303.427 3.759 20 0 DHADMM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000079268870 341256158 /nfs/dbraw/zinc/25/61/58/341256158.db2.gz ICWBVSJIXPTGJJ-UHFFFAOYSA-N -1 1 324.833 3.515 20 0 DHADMM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cc(F)ccc1[O-] ZINC000080029287 341268784 /nfs/dbraw/zinc/26/87/84/341268784.db2.gz PUZQTROORQSZPT-AAEUAGOBSA-N -1 1 317.335 3.689 20 0 DHADMM O=C([O-])C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Cl)C1 ZINC000087761552 341395099 /nfs/dbraw/zinc/39/50/99/341395099.db2.gz ZUDQOLFIIITTQD-JTQLQIEISA-N -1 1 302.201 3.680 20 0 DHADMM O=C([O-])C[C@@H]1CCCN(Cc2cc(Cl)ccc2Cl)C1 ZINC000087761552 341395100 /nfs/dbraw/zinc/39/51/00/341395100.db2.gz ZUDQOLFIIITTQD-JTQLQIEISA-N -1 1 302.201 3.680 20 0 DHADMM CCCn1nc(C)c(C(=O)Nc2ccc([O-])c(Cl)c2)c1C ZINC000182863860 521667061 /nfs/dbraw/zinc/66/70/61/521667061.db2.gz LVSBWDCKEBXSLY-UHFFFAOYSA-N -1 1 307.781 3.521 20 0 DHADMM COc1cc(NC(C)=O)ccc1NCc1cccc([O-])c1Cl ZINC000339323307 522736876 /nfs/dbraw/zinc/73/68/76/522736876.db2.gz YQPPWBKOQOISDI-UHFFFAOYSA-N -1 1 320.776 3.625 20 0 DHADMM CN(Cc1ccccc1-c1ccccc1)C(=O)c1cncc([O-])c1 ZINC000111593162 523357673 /nfs/dbraw/zinc/35/76/73/523357673.db2.gz WMRGQUPKMIJBLL-UHFFFAOYSA-N -1 1 318.376 3.726 20 0 DHADMM [O-]c1cccc(CNCc2cn3cc(Cl)ccc3n2)c1Cl ZINC000339180941 526361248 /nfs/dbraw/zinc/36/12/48/526361248.db2.gz LBVZZLZMOCJJHF-UHFFFAOYSA-N -1 1 322.195 3.637 20 0 DHADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1CCCCCC1 ZINC000338337714 526580187 /nfs/dbraw/zinc/58/01/87/526580187.db2.gz XPVSGMBEFGQODM-UHFFFAOYSA-N -1 1 304.777 3.610 20 0 DHADMM CCn1c2ccccc2nc1[C@@H](C)NCc1ccc(C(=O)[O-])cc1 ZINC000263435314 598170920 /nfs/dbraw/zinc/17/09/20/598170920.db2.gz UHEBLDNJLLTWNY-CYBMUJFWSA-N -1 1 323.396 3.605 20 0 DHADMM O=C([O-])c1cccc(CN[C@@H](c2ccccc2)c2cccnc2)c1 ZINC000821551530 598203349 /nfs/dbraw/zinc/20/33/49/598203349.db2.gz LENXSTSJHNFIEJ-IBGZPJMESA-N -1 1 318.376 3.659 20 0 DHADMM Fc1cccc(S[C@H]2CCc3ccccc32)c1-c1nn[n-]n1 ZINC000737663702 598243494 /nfs/dbraw/zinc/24/34/94/598243494.db2.gz JSSHDMQTKJBWDJ-ZDUSSCGKSA-N -1 1 312.373 3.785 20 0 DHADMM Fc1cccc(Sc2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC000737664028 598299336 /nfs/dbraw/zinc/29/93/36/598299336.db2.gz LSTBWVQJIXUYHH-UHFFFAOYSA-N -1 1 306.753 3.810 20 0 DHADMM O=C([O-])[C@@H](c1ccc(Cl)cc1Cl)N1C2CCC1CC2 ZINC000833172696 601156200 /nfs/dbraw/zinc/15/62/00/601156200.db2.gz XBWINXJJHDPPCV-SRHKJQAYSA-N -1 1 300.185 3.746 20 0 DHADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1csc2ccccc12 ZINC000736140159 599431710 /nfs/dbraw/zinc/43/17/10/599431710.db2.gz ZBHLOAFKJSVDDN-SNVBAGLBSA-N -1 1 322.397 3.650 20 0 DHADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1csc2ccccc12 ZINC000736140159 599431712 /nfs/dbraw/zinc/43/17/12/599431712.db2.gz ZBHLOAFKJSVDDN-SNVBAGLBSA-N -1 1 322.397 3.650 20 0 DHADMM CCCN(Cc1cc(C(=O)[O-])co1)[C@@H](C)c1ccccc1OC ZINC000737019294 599849325 /nfs/dbraw/zinc/84/93/25/599849325.db2.gz CHLPIYAAHLTGGP-ZDUSSCGKSA-N -1 1 317.385 3.960 20 0 DHADMM CCc1nnc(SCc2c3ccccc3sc2C(=O)[O-])[nH]1 ZINC000737287173 599908396 /nfs/dbraw/zinc/90/83/96/599908396.db2.gz FSDJUPRWOJNNBX-UHFFFAOYSA-N -1 1 319.411 3.572 20 0 DHADMM CCc1n[nH]c(SCc2c3ccccc3sc2C(=O)[O-])n1 ZINC000737287173 599908398 /nfs/dbraw/zinc/90/83/98/599908398.db2.gz FSDJUPRWOJNNBX-UHFFFAOYSA-N -1 1 319.411 3.572 20 0 DHADMM CN(Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)CC(C)(C)C ZINC000737497058 599993846 /nfs/dbraw/zinc/99/38/46/599993846.db2.gz RSNFUIMWYAZLEG-UHFFFAOYSA-N -1 1 318.442 3.986 20 0 DHADMM CC[C@@H](N[C@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(F)cc1F ZINC000736919148 600453259 /nfs/dbraw/zinc/45/32/59/600453259.db2.gz FRXWIXPQDKSKMR-CVEARBPZSA-N -1 1 323.314 3.971 20 0 DHADMM CC(C)CCOc1ccc(CNCc2ccc(C(=O)[O-])o2)cc1 ZINC000736432228 600524666 /nfs/dbraw/zinc/52/46/66/600524666.db2.gz SYKPZMPIDBTHML-UHFFFAOYSA-N -1 1 317.385 3.693 20 0 DHADMM C/C(=C/CSc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)[O-] ZINC000825792848 600728380 /nfs/dbraw/zinc/72/83/80/600728380.db2.gz JKIGKZKEYPURTD-DAXSKMNVSA-N -1 1 316.304 3.705 20 0 DHADMM C[C@H](N[C@@H](C(=O)[O-])c1ccccc1F)c1cccc(Cl)c1 ZINC000827718715 600733072 /nfs/dbraw/zinc/73/30/72/600733072.db2.gz WWEIVUUUWXACHB-ZUZCIYMTSA-N -1 1 307.752 3.956 20 0 DHADMM O=C([O-])[C@@H](N[C@@H]1CCc2cc(Cl)ccc21)c1ccccc1F ZINC000833166764 600743347 /nfs/dbraw/zinc/74/33/47/600743347.db2.gz JXKUADMBXALUOP-CVEARBPZSA-N -1 1 319.763 3.882 20 0 DHADMM C[C@H]1C[C@@H](c2cccc(F)c2)N(Cc2cc(C(=O)[O-])co2)C1 ZINC000578634823 600836383 /nfs/dbraw/zinc/83/63/83/600836383.db2.gz KJDZODALKNLKPI-ZBEGNZNMSA-N -1 1 303.333 3.700 20 0 DHADMM O=C([O-])[C@@H]1CC12CCN(Cc1cc(Cl)ccc1Cl)CC2 ZINC000405366380 600954253 /nfs/dbraw/zinc/95/42/53/600954253.db2.gz KAVXFJGAMDHLND-LBPRGKRZSA-N -1 1 314.212 3.680 20 0 DHADMM Cc1cccnc1[C@H](N[C@H](C)c1ccc(C(=O)[O-])o1)C(C)C ZINC000738785045 600956410 /nfs/dbraw/zinc/95/64/10/600956410.db2.gz GGHRGYSJEQUCKG-IUODEOHRSA-N -1 1 302.374 3.729 20 0 DHADMM C/C(=C/CN1CCC[C@H]1c1ccc(Br)cc1)C(=O)[O-] ZINC000825742448 601158192 /nfs/dbraw/zinc/15/81/92/601158192.db2.gz ZFGMHNFBACAWAF-MSKHEQNASA-N -1 1 324.218 3.617 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN(Cc1cccs1)C1CC1 ZINC000566684702 601411882 /nfs/dbraw/zinc/41/18/82/601411882.db2.gz ZPOJHRKJJJNKPL-UHFFFAOYSA-N -1 1 305.399 3.766 20 0 DHADMM Cc1ccc([C@@H](C)N[C@H](C(=O)[O-])c2ccccc2F)cc1F ZINC000832921398 601500159 /nfs/dbraw/zinc/50/01/59/601500159.db2.gz PWYLHYFGZRQGRV-BZNIZROVSA-N -1 1 305.324 3.750 20 0 DHADMM Cc1sc(C(=O)[O-])cc1CNC1(c2ccc(F)cc2)CC1 ZINC000833032413 601633478 /nfs/dbraw/zinc/63/34/78/601633478.db2.gz ZHSCOCJBALLXPU-UHFFFAOYSA-N -1 1 305.374 3.673 20 0 DHADMM CC(C)N(Cc1ccsc1C(=O)[O-])Cc1ccccc1F ZINC000826951913 601810305 /nfs/dbraw/zinc/81/03/05/601810305.db2.gz UOOYELJQETXSKN-UHFFFAOYSA-N -1 1 307.390 3.996 20 0 DHADMM Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccsc1C(=O)[O-])CCC2 ZINC000569229105 601825252 /nfs/dbraw/zinc/82/52/52/601825252.db2.gz HPSRNSGFRVVTHK-GFCCVEGCSA-N -1 1 322.455 3.721 20 0 DHADMM Cc1nc2c(s1)[C@H](N(C)Cc1ccsc1C(=O)[O-])CCC2 ZINC000569229105 601825254 /nfs/dbraw/zinc/82/52/54/601825254.db2.gz HPSRNSGFRVVTHK-GFCCVEGCSA-N -1 1 322.455 3.721 20 0 DHADMM O=C([O-])c1ccc(CN2CCSC[C@@H]2c2ccccc2)s1 ZINC000570403763 601957331 /nfs/dbraw/zinc/95/73/31/601957331.db2.gz UMPJLDWRXCUHMU-CQSZACIVSA-N -1 1 319.451 3.736 20 0 DHADMM Cc1ccccc1[C@@H](C)SCc1ccnc(-c2nnn[n-]2)c1 ZINC000826305815 607536148 /nfs/dbraw/zinc/53/61/48/607536148.db2.gz JERYORWWBMCSRD-GFCCVEGCSA-N -1 1 311.414 3.565 20 0 DHADMM Cc1ccccc1[C@@H](C)SCc1ccnc(-c2nn[n-]n2)c1 ZINC000826305815 607536150 /nfs/dbraw/zinc/53/61/50/607536150.db2.gz JERYORWWBMCSRD-GFCCVEGCSA-N -1 1 311.414 3.565 20 0 DHADMM Cc1cccc([C@@H](C)SCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000826296443 607536364 /nfs/dbraw/zinc/53/63/64/607536364.db2.gz XHPKKEMKFQDYOV-GFCCVEGCSA-N -1 1 311.414 3.565 20 0 DHADMM Cc1cccc([C@@H](C)SCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000826296443 607536366 /nfs/dbraw/zinc/53/63/66/607536366.db2.gz XHPKKEMKFQDYOV-GFCCVEGCSA-N -1 1 311.414 3.565 20 0 DHADMM CC(C)c1ccc([C@H](CNCc2ccco2)NC(=O)[O-])cc1 ZINC000738882519 602335162 /nfs/dbraw/zinc/33/51/62/602335162.db2.gz KVAUCDLGCLEBKF-INIZCTEOSA-N -1 1 302.374 3.502 20 0 DHADMM C[C@@H]1C[C@H]1c1ccc(CN(Cc2c[nH]c(C(=O)[O-])c2)C2CC2)o1 ZINC000833604619 604533195 /nfs/dbraw/zinc/53/31/95/604533195.db2.gz KQLJVHHDLHXOJA-IAQYHMDHSA-N -1 1 314.385 3.594 20 0 DHADMM O=C([O-])[C@@H]1CC12CCN(Cc1cccc(Cl)c1Cl)CC2 ZINC000405363340 604649546 /nfs/dbraw/zinc/64/95/46/604649546.db2.gz GUWDIWIODNLFGI-NSHDSACASA-N -1 1 314.212 3.680 20 0 DHADMM CCc1ncc(CN2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])s1 ZINC000833677610 604684287 /nfs/dbraw/zinc/68/42/87/604684287.db2.gz WNTAIALVRNSFOG-HIFRSBDPSA-N -1 1 322.474 3.561 20 0 DHADMM CC[C@H](NCc1cc(C)c(C(=O)[O-])o1)c1ccc(OC)cc1 ZINC000833643412 605062737 /nfs/dbraw/zinc/06/27/37/605062737.db2.gz AAZCYMMNZHHRRH-HNNXBMFYSA-N -1 1 303.358 3.536 20 0 DHADMM CCN(Cc1ccccc1NCc1[nH]nc2ccccc21)C(=O)[O-] ZINC000827187257 605245741 /nfs/dbraw/zinc/24/57/41/605245741.db2.gz VRRVZEVJEDTVBG-UHFFFAOYSA-N -1 1 324.384 3.675 20 0 DHADMM O=C([O-])N1CCCc2cc(NCc3[nH]nc4ccccc43)ccc21 ZINC000832018475 605254383 /nfs/dbraw/zinc/25/43/83/605254383.db2.gz LQFVVDSZTDCYGZ-UHFFFAOYSA-N -1 1 322.368 3.606 20 0 DHADMM O=C([O-])Nc1ccc(CN2CCC[C@H]2c2cccc(F)c2)cn1 ZINC000834260486 605481734 /nfs/dbraw/zinc/48/17/34/605481734.db2.gz RFVAKOXWZCMHLC-HNNXBMFYSA-N -1 1 315.348 3.648 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000833679363 605703803 /nfs/dbraw/zinc/70/38/03/605703803.db2.gz YFOVUVRAUJAEBH-GXSJLCMTSA-N -1 1 319.323 3.703 20 0 DHADMM Cc1ccc(Cl)c(NCc2ccc(-c3nn[n-]n3)s2)c1 ZINC000826288405 608449938 /nfs/dbraw/zinc/44/99/38/608449938.db2.gz FUHBCDSZXZDDPO-UHFFFAOYSA-N -1 1 305.794 3.502 20 0 DHADMM C[C@@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)c1cccs1 ZINC000736140310 944749917 /nfs/dbraw/zinc/74/99/17/944749917.db2.gz TYSYEPIJYOHIAQ-SNVBAGLBSA-N -1 1 322.397 3.650 20 0 DHADMM C[C@@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)c1cccs1 ZINC000736140310 944749928 /nfs/dbraw/zinc/74/99/28/944749928.db2.gz TYSYEPIJYOHIAQ-SNVBAGLBSA-N -1 1 322.397 3.650 20 0 DHADMM CC(C)c1ccccc1COc1cccc(F)c1-c1nnn[n-]1 ZINC001574420836 948804092 /nfs/dbraw/zinc/80/40/92/948804092.db2.gz BJKQQQDRBFYAER-UHFFFAOYSA-N -1 1 312.348 3.708 20 0 DHADMM CC(C)c1ccccc1COc1cccc(F)c1-c1nn[n-]n1 ZINC001574420836 948804098 /nfs/dbraw/zinc/80/40/98/948804098.db2.gz BJKQQQDRBFYAER-UHFFFAOYSA-N -1 1 312.348 3.708 20 0 DHADMM CC[C@@]1(C(=O)[O-])CCCN(Cc2nc(C(C)(C)C)cs2)C1 ZINC000094969430 949188678 /nfs/dbraw/zinc/18/86/78/949188678.db2.gz UVHJFFBOGJTXMZ-MRXNPFEDSA-N -1 1 310.463 3.517 20 0 DHADMM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2ccc(Cl)cc2Cl)C1 ZINC000263157869 950301010 /nfs/dbraw/zinc/30/10/10/950301010.db2.gz FXUCJKRMFRMZPP-MWLCHTKSSA-N -1 1 302.201 3.536 20 0 DHADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000263467261 950476610 /nfs/dbraw/zinc/47/66/10/950476610.db2.gz CWPVHSLLVYOCKO-GXSJLCMTSA-N -1 1 319.298 3.530 20 0 DHADMM C[C@H]1CN(Cc2ccc(Cl)cc2Cl)CC[C@@H]1C(=O)[O-] ZINC000311357479 950732174 /nfs/dbraw/zinc/73/21/74/950732174.db2.gz AGPWRIMOAUUVAW-CABZTGNLSA-N -1 1 302.201 3.536 20 0 DHADMM O=C([O-])c1cccc(CN2CCCc3ccccc3C2)c1Cl ZINC000381791446 971778397 /nfs/dbraw/zinc/77/83/97/971778397.db2.gz BAADCAFTUOVOFO-UHFFFAOYSA-N -1 1 315.800 3.987 20 0 DHADMM CCc1ccc2c(c1)CCN(Cc1ccc(C(=O)[O-])s1)C2 ZINC001593640589 953641227 /nfs/dbraw/zinc/64/12/27/953641227.db2.gz DGZLQFXTVMYSHH-UHFFFAOYSA-N -1 1 301.411 3.567 20 0 DHADMM C[C@H](C1CC1)N(Cc1nc(C(=O)[O-])cs1)Cc1ccccc1 ZINC000385256021 971991121 /nfs/dbraw/zinc/99/11/21/971991121.db2.gz QQPIOCMOIMKDDV-GFCCVEGCSA-N -1 1 316.426 3.642 20 0 DHADMM CC(C)(C)c1cnc(CN2CCC[C@H](CCC(=O)[O-])C2)s1 ZINC000871621649 956048625 /nfs/dbraw/zinc/04/86/25/956048625.db2.gz LAZWIJZJSNXQJS-GFCCVEGCSA-N -1 1 310.463 3.517 20 0 DHADMM C[C@H](N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)c1ccc(Cl)cn1 ZINC001589123150 956144094 /nfs/dbraw/zinc/14/40/94/956144094.db2.gz JACMQRCYIALFGD-DRZCJDIDSA-N -1 1 316.788 3.699 20 0 DHADMM O=C([O-])C[C@@H]1CCCCN1Cc1c(Cl)cccc1Cl ZINC000038027653 957349714 /nfs/dbraw/zinc/34/97/14/957349714.db2.gz DGAPCJPISIKJOC-JTQLQIEISA-N -1 1 302.201 3.823 20 0 DHADMM O=C(c1cncc([O-])c1)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000339966997 1013180882 /nfs/dbraw/zinc/18/08/82/1013180882.db2.gz WHFPKCKEDMSZOO-KRWDZBQOSA-N -1 1 324.424 3.662 20 0 DHADMM C[C@H](c1ccc(Cl)cc1)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000251423514 961248760 /nfs/dbraw/zinc/24/87/60/961248760.db2.gz HRHMMOKECCXDET-RNCFNFMXSA-N -1 1 321.726 3.740 20 0 DHADMM C[C@H]1CCc2[n-]n(Cc3ccc(Br)cc3)c(=O)c2C1 ZINC000634616761 1013273423 /nfs/dbraw/zinc/27/34/23/1013273423.db2.gz WGIQOTQURQABJV-GXFFZTMASA-N -1 1 321.218 3.584 20 0 DHADMM C[C@H](CN(C)Cc1nc(-c2ccccc2Cl)cs1)C(=O)[O-] ZINC000263334842 962483461 /nfs/dbraw/zinc/48/34/61/962483461.db2.gz MFLYCSCMNBFGQZ-SNVBAGLBSA-N -1 1 324.833 3.616 20 0 DHADMM C[C@@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000652366739 1013381678 /nfs/dbraw/zinc/38/16/78/1013381678.db2.gz NAGOBQSPLNLSJY-NOZJJQNGSA-N -1 1 302.201 3.851 20 0 DHADMM Cc1oc(-c2cccs2)nc1CN1CCCC[C@H]1CC(=O)[O-] ZINC000315078140 963853944 /nfs/dbraw/zinc/85/39/44/963853944.db2.gz JWNORNGTHXYPFD-LBPRGKRZSA-N -1 1 320.414 3.541 20 0 DHADMM O=C(Cc1coc2cc(F)ccc12)Nc1ccc(F)cc1[O-] ZINC000340327762 1013497094 /nfs/dbraw/zinc/49/70/94/1013497094.db2.gz DXOBMIMWQOFKKZ-UHFFFAOYSA-N -1 1 303.264 3.598 20 0 DHADMM COc1ccc(C[C@@H](C)C(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC000121003984 1013528680 /nfs/dbraw/zinc/52/86/80/1013528680.db2.gz RMCSGHIXAHMDJF-LLVKDONJSA-N -1 1 319.788 3.872 20 0 DHADMM O=C(NC[C@@H]1CCCc2ccccc21)c1c(F)ccc([O-])c1F ZINC000280785516 1013553100 /nfs/dbraw/zinc/55/31/00/1013553100.db2.gz NRDHTGMTZZWZCO-LBPRGKRZSA-N -1 1 317.335 3.520 20 0 DHADMM CC1(C(=O)[O-])CCN(Cc2cc(Cl)ccc2Cl)CC1 ZINC000087761588 967582749 /nfs/dbraw/zinc/58/27/49/967582749.db2.gz GJGNUERNDIBAIL-UHFFFAOYSA-N -1 1 302.201 3.680 20 0 DHADMM COc1ccc(-c2nc(-c3ccc(F)cc3C)no2)c([O-])c1 ZINC000317303811 1013889216 /nfs/dbraw/zinc/88/92/16/1013889216.db2.gz XHUYDTAPCKHHAL-UHFFFAOYSA-N -1 1 300.289 3.565 20 0 DHADMM Cc1cc(Br)ccc1C(=O)Nc1c([O-])cccc1F ZINC000089541559 1014102607 /nfs/dbraw/zinc/10/26/07/1014102607.db2.gz NFNRUYOZALOEPX-UHFFFAOYSA-N -1 1 324.149 3.855 20 0 DHADMM O=C([O-])c1cccc(CN[C@H](c2ncc[nH]2)C2CCCCC2)c1 ZINC001606513522 974007524 /nfs/dbraw/zinc/00/75/24/974007524.db2.gz MVKKVNGDQYUIEL-INIZCTEOSA-N -1 1 313.401 3.519 20 0 DHADMM CCc1ccc2c(c1)CN(Cc1ccc(C(=O)[O-])s1)CC2 ZINC001603975356 974467007 /nfs/dbraw/zinc/46/70/07/974467007.db2.gz IETYPZXUFYJXAM-UHFFFAOYSA-N -1 1 301.411 3.567 20 0 DHADMM O=C([O-])c1ccc(CN2CCC[C@H]2c2cccc(Cl)c2)nc1 ZINC000567055187 974626350 /nfs/dbraw/zinc/62/63/50/974626350.db2.gz QYOSYMXWHGIYCG-INIZCTEOSA-N -1 1 316.788 3.770 20 0 DHADMM O=C([O-])c1ccc(CN2CCC[C@@H]2c2cccc(Cl)c2)nc1 ZINC000567055188 974626512 /nfs/dbraw/zinc/62/65/12/974626512.db2.gz QYOSYMXWHGIYCG-MRXNPFEDSA-N -1 1 316.788 3.770 20 0 DHADMM O=S(=O)([N-]c1ccsc1Cl)c1ccc(Cl)s1 ZINC000189738338 1014209527 /nfs/dbraw/zinc/20/95/27/1014209527.db2.gz XEPSZUIHGMKJLL-UHFFFAOYSA-N -1 1 314.240 3.917 20 0 DHADMM O=C([O-])c1ccoc1CN1CCC[C@@H]1c1ccccc1Cl ZINC000571053920 974722773 /nfs/dbraw/zinc/72/27/73/974722773.db2.gz PWNGSLZDQPECHL-CQSZACIVSA-N -1 1 305.761 3.968 20 0 DHADMM Cc1oc(CN(C)CCSCc2ccccc2)cc1C(=O)[O-] ZINC000583940109 974948005 /nfs/dbraw/zinc/94/80/05/974948005.db2.gz PZRAWDPURQRZQM-UHFFFAOYSA-N -1 1 319.426 3.651 20 0 DHADMM C[C@H]1CCSCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000190027711 1014229885 /nfs/dbraw/zinc/22/98/85/1014229885.db2.gz KPJVYZSBAFIBBC-LBPRGKRZSA-N -1 1 301.411 3.513 20 0 DHADMM CC(C)OC[C@H](C(=O)[O-])N(C)Cc1cccc(C2CCCC2)c1 ZINC001591712100 975603056 /nfs/dbraw/zinc/60/30/56/975603056.db2.gz QCJUAJJEWCVDCB-GOSISDBHSA-N -1 1 319.445 3.654 20 0 DHADMM O=C([O-])c1ccc(CN(Cc2ccccc2F)CC2CC2)o1 ZINC000656765209 975697119 /nfs/dbraw/zinc/69/71/19/975697119.db2.gz KDQIPINHLNCQET-UHFFFAOYSA-N -1 1 303.333 3.529 20 0 DHADMM COC(=O)c1cncc(Nc2ccc(Cl)c(Cl)c2[O-])c1 ZINC001211462182 1014392107 /nfs/dbraw/zinc/39/21/07/1014392107.db2.gz AAYOFYGDEYITBC-UHFFFAOYSA-N -1 1 313.140 3.624 20 0 DHADMM C[C@](CC(=O)[O-])(NCc1ccc2ccccc2c1)c1ccccn1 ZINC001592327512 977741193 /nfs/dbraw/zinc/74/11/93/977741193.db2.gz BYTSDKQIPFJGGH-HXUWFJFHSA-N -1 1 320.392 3.715 20 0 DHADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(Cl)c(Cl)c1 ZINC000263483016 1014548309 /nfs/dbraw/zinc/54/83/09/1014548309.db2.gz GRQXGSXNFJRFRO-ONGXEEELSA-N -1 1 302.201 3.679 20 0 DHADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C3CCC3)cc2)c1 ZINC000428039446 1014568261 /nfs/dbraw/zinc/56/82/61/1014568261.db2.gz DXUPCVKGABPEGI-UHFFFAOYSA-N -1 1 324.380 3.870 20 0 DHADMM C[C@@]1(NCc2ccc(/C=C\C(=O)[O-])o2)CCCc2ccccc21 ZINC000901439686 980288578 /nfs/dbraw/zinc/28/85/78/980288578.db2.gz WUFHQDXXYZIZFG-OEIFXAAASA-N -1 1 311.381 3.719 20 0 DHADMM CC[C@@H](NCc1cc(C(=O)[O-])ccc1Cl)c1ccncc1 ZINC001595298775 980421166 /nfs/dbraw/zinc/42/11/66/980421166.db2.gz COGKBYJONWMVBG-OAHLLOKOSA-N -1 1 304.777 3.674 20 0 DHADMM CC[C@@](NCc1c(F)ccc(C)c1F)(C(=O)[O-])c1ccccc1 ZINC001595299022 980423270 /nfs/dbraw/zinc/42/32/70/980423270.db2.gz ZKLOZHQJAHSSLN-SFHVURJKSA-N -1 1 319.351 3.753 20 0 DHADMM CC[C@H](NCc1ccc(C(=O)[O-])cn1)c1ccc(Cl)s1 ZINC001595299277 980425894 /nfs/dbraw/zinc/42/58/94/980425894.db2.gz OCIYCOAKXOUFIV-NSHDSACASA-N -1 1 310.806 3.736 20 0 DHADMM CC[C@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccc(C)cc1 ZINC001595299840 980431260 /nfs/dbraw/zinc/43/12/60/980431260.db2.gz HOSVPQQKVXCSHV-HNNXBMFYSA-N -1 1 318.804 3.983 20 0 DHADMM C/C(=C\c1ccccc1)CN[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC000901910163 980622667 /nfs/dbraw/zinc/62/26/67/980622667.db2.gz FIWVUVMPLUQXQF-OBIHZWKSSA-N -1 1 302.399 3.595 20 0 DHADMM Cc1cc(CN[C@@H](C)c2cccc(OC(C)C)c2)oc1C(=O)[O-] ZINC000902117602 980742453 /nfs/dbraw/zinc/74/24/53/980742453.db2.gz CBKDRIPQPORKIX-ZDUSSCGKSA-N -1 1 317.385 3.924 20 0 DHADMM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NCc1ccoc1C(=O)[O-] ZINC000902133222 980751682 /nfs/dbraw/zinc/75/16/82/980751682.db2.gz VPMXSEJLQFQIBR-ZDUSSCGKSA-N -1 1 303.358 3.683 20 0 DHADMM CCCOCc1ccccc1CNCc1cc(C)c(C(=O)[O-])o1 ZINC000902145832 980757331 /nfs/dbraw/zinc/75/73/31/980757331.db2.gz VADZQKFGVSDOAS-UHFFFAOYSA-N -1 1 317.385 3.503 20 0 DHADMM CCc1oc(CN[C@H]2CCCc3sccc32)cc1C(=O)[O-] ZINC000902218591 980786992 /nfs/dbraw/zinc/78/69/92/980786992.db2.gz KBVSZJFSZDEYCG-ZDUSSCGKSA-N -1 1 305.399 3.769 20 0 DHADMM CC[C@H](c1ccccc1OC)N(C)Cc1cc(C(=O)[O-])oc1C ZINC001595363864 980787578 /nfs/dbraw/zinc/78/75/78/980787578.db2.gz KUQRNRDKQREWMR-OAHLLOKOSA-N -1 1 317.385 3.878 20 0 DHADMM CCSc1ccc(CNCc2cc(C(=O)[O-])oc2C)cc1 ZINC000902337408 980838076 /nfs/dbraw/zinc/83/80/76/980838076.db2.gz UFKQTVFQIMYREO-UHFFFAOYSA-N -1 1 305.399 3.688 20 0 DHADMM O=C([O-])c1cc(CNCc2ccc(C3CC3)cc2F)cs1 ZINC000902350358 980844622 /nfs/dbraw/zinc/84/46/22/980844622.db2.gz LAAYQMJKFJMVCN-UHFFFAOYSA-N -1 1 305.374 3.753 20 0 DHADMM O=C([O-])/C=C/c1ccc(CNC2(c3ccc(F)cc3)CCC2)o1 ZINC000902372135 980859434 /nfs/dbraw/zinc/85/94/34/980859434.db2.gz HPUDLLLDKYHOBT-CMDGGOBGSA-N -1 1 315.344 3.686 20 0 DHADMM CC(C)(CCN1CCc2ccc(Cl)c(Cl)c2C1)C(=O)[O-] ZINC000902379068 980862791 /nfs/dbraw/zinc/86/27/91/980862791.db2.gz AXEGIAZKYQVBIK-UHFFFAOYSA-N -1 1 316.228 3.852 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CNCc1ccc(C(F)(F)F)s1 ZINC000902501199 980911650 /nfs/dbraw/zinc/91/16/50/980911650.db2.gz JLRGIQUWRCOQQB-UHFFFAOYSA-N -1 1 319.304 3.656 20 0 DHADMM CCc1oc(CN(C)[C@@H](C)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000902509780 980914530 /nfs/dbraw/zinc/91/45/30/980914530.db2.gz PTPFSHCQMKESDJ-NSHDSACASA-N -1 1 305.349 3.872 20 0 DHADMM O=C([O-])[C@H](c1cccc(Cl)c1Cl)N1CCC[C@@H](CF)C1 ZINC000903607963 980988374 /nfs/dbraw/zinc/98/83/74/980988374.db2.gz OZBBNQSNPRZEOX-ZANVPECISA-N -1 1 320.191 3.801 20 0 DHADMM CCSc1ccc([C@H](C)NCc2ccc(C(=O)[O-])cn2)cc1 ZINC000905724988 981123444 /nfs/dbraw/zinc/12/34/44/981123444.db2.gz RJHXIBHUHSOAHR-LBPRGKRZSA-N -1 1 316.426 3.743 20 0 DHADMM COc1cc(C(=O)N(C)CC2CCCCC2)cc(Cl)c1[O-] ZINC000442854526 1014755196 /nfs/dbraw/zinc/75/51/96/1014755196.db2.gz OPMINZWJKUXRMR-UHFFFAOYSA-N -1 1 311.809 3.707 20 0 DHADMM CCC[C@H](C)C(=O)OCc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC000728328261 1014757705 /nfs/dbraw/zinc/75/77/05/1014757705.db2.gz PGWDTSVLJDYIRT-NSHDSACASA-N -1 1 318.369 3.540 20 0 DHADMM CSC[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000092762379 1014818047 /nfs/dbraw/zinc/81/80/47/1014818047.db2.gz INYWJZFMMCGLAE-ZDUSSCGKSA-N -1 1 301.411 3.513 20 0 DHADMM CCCCN(Cc1ccoc1C(=O)[O-])Cc1ccccc1F ZINC001595748329 982418319 /nfs/dbraw/zinc/41/83/19/982418319.db2.gz WCSSDEWIJCWLTQ-UHFFFAOYSA-N -1 1 305.349 3.919 20 0 DHADMM Cc1c(=O)[n-]c(SCC[C@H]2CCOC2)nc1-c1ccccc1 ZINC000521971288 1014851417 /nfs/dbraw/zinc/85/14/17/1014851417.db2.gz NQUAVONZSOGMMR-CYBMUJFWSA-N -1 1 316.426 3.676 20 0 DHADMM C[C@](NCc1cc2ccccc2s1)(C(=O)[O-])c1ccccc1 ZINC001119598484 983001115 /nfs/dbraw/zinc/00/11/15/983001115.db2.gz RJFQPSTWWVMOCB-GOSISDBHSA-N -1 1 311.406 3.991 20 0 DHADMM CCCc1c(C(=O)Nc2cccc([O-])c2F)[nH]c(C)c1C(C)=O ZINC000129310143 1014966481 /nfs/dbraw/zinc/96/64/81/1014966481.db2.gz DFLSAGZNCIBPOL-UHFFFAOYSA-N -1 1 318.348 3.575 20 0 DHADMM CCN(Cc1cc(C(=O)[O-])oc1C)Cc1cccc(Cl)c1 ZINC001596364381 983846226 /nfs/dbraw/zinc/84/62/26/983846226.db2.gz BOXBWVUSVIQBMZ-UHFFFAOYSA-N -1 1 307.777 3.962 20 0 DHADMM C[C@@H]1CN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)Cc2ccccc21 ZINC001594535320 986146699 /nfs/dbraw/zinc/14/66/99/986146699.db2.gz MUFOHRNSLINUGM-GFCCVEGCSA-N -1 1 310.397 3.710 20 0 DHADMM C[C@H]1CN(Cc2cc(C(=O)[O-])c3n2CCCC3)[C@H]1c1ccccc1 ZINC001594537615 986161464 /nfs/dbraw/zinc/16/14/64/986161464.db2.gz WOKYSESDNWBHNT-IFXJQAMLSA-N -1 1 324.424 3.716 20 0 DHADMM CCOc1cccc([C@@H](C)NCc2cc(C(=O)[O-])oc2CC)c1 ZINC001597148954 986914543 /nfs/dbraw/zinc/91/45/43/986914543.db2.gz GYLBHXDAIJBEEL-GFCCVEGCSA-N -1 1 317.385 3.790 20 0 DHADMM C[C@H](C(=O)[O-])[C@@H](NCc1cc(O)ccc1Cl)c1ccccc1 ZINC001589468634 986933098 /nfs/dbraw/zinc/93/30/98/986933098.db2.gz KRZUXPKJBLOGNZ-MEDUHNTESA-N -1 1 319.788 3.597 20 0 DHADMM C[C@@H](C(=O)[O-])[C@H](NCc1cc(O)ccc1Cl)c1ccccc1 ZINC001589468631 986933251 /nfs/dbraw/zinc/93/32/51/986933251.db2.gz KRZUXPKJBLOGNZ-BZNIZROVSA-N -1 1 319.788 3.597 20 0 DHADMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)C(C)(C)c1ccccc1 ZINC000280863550 1015334020 /nfs/dbraw/zinc/33/40/20/1015334020.db2.gz DPCBVXXQXIZBJC-NSHDSACASA-N -1 1 319.351 3.767 20 0 DHADMM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)cc1 ZINC000474427773 1015349805 /nfs/dbraw/zinc/34/98/05/1015349805.db2.gz QCTGELUNQYXCLU-LLVKDONJSA-N -1 1 319.430 3.601 20 0 DHADMM CCc1cnccc1[C@@H](C)NCc1cccc(C(=O)[O-])c1Cl ZINC001597637001 988621281 /nfs/dbraw/zinc/62/12/81/988621281.db2.gz UBDUZVXAKKQRHV-LLVKDONJSA-N -1 1 318.804 3.846 20 0 DHADMM COc1ccccc1[C@@H](C)N[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001599718736 991500147 /nfs/dbraw/zinc/50/01/47/991500147.db2.gz VPRJYEDKTOLRHN-BDJLRTHQSA-N -1 1 319.788 3.825 20 0 DHADMM O=C(Nc1ccc(Br)c([O-])c1)[C@@H]1CCC[C@@H](F)C1 ZINC001348965679 1015702516 /nfs/dbraw/zinc/70/25/16/1015702516.db2.gz FICYIDXCZNGQFT-RKDXNWHRSA-N -1 1 316.170 3.622 20 0 DHADMM CN(Cc1csc(Nc2ccccc2)n1)C(C)(C)CC(=O)[O-] ZINC001598535861 992839872 /nfs/dbraw/zinc/83/98/72/992839872.db2.gz BCRCVHUYIDIFNI-UHFFFAOYSA-N -1 1 319.430 3.572 20 0 DHADMM COc1ccc(CO)cc1Nc1cc(Cl)c([O-])cc1Cl ZINC001211527027 1015755915 /nfs/dbraw/zinc/75/59/15/1015755915.db2.gz ICLASJPXPFMJGH-UHFFFAOYSA-N -1 1 314.168 3.944 20 0 DHADMM CC(C)Cc1ncc(CN[C@@H](CC(=O)[O-])c2ccsc2)s1 ZINC000276948186 1015769116 /nfs/dbraw/zinc/76/91/16/1015769116.db2.gz DJENLYGQOLUAKK-ZDUSSCGKSA-N -1 1 324.471 3.709 20 0 DHADMM C[C@@H](N[C@@H]1CSc2ccccc21)c1cc(C(=O)[O-])cs1 ZINC001593234359 994401003 /nfs/dbraw/zinc/40/10/03/994401003.db2.gz YWEFPYPXOISRQK-BXKDBHETSA-N -1 1 305.424 3.944 20 0 DHADMM C[C@@](NCc1cc(Cl)ccc1F)(C(=O)[O-])c1ccccc1 ZINC001593292035 994673736 /nfs/dbraw/zinc/67/37/36/994673736.db2.gz GMSYIKHNAWIQQY-INIZCTEOSA-N -1 1 307.752 3.569 20 0 DHADMM C[C@@H](NCc1ccc(C(=O)[O-])cc1F)c1nccc2ccccc21 ZINC001593295800 994691937 /nfs/dbraw/zinc/69/19/37/994691937.db2.gz HOJAYUQURSLILV-GFCCVEGCSA-N -1 1 324.355 3.923 20 0 DHADMM C[C@H](c1nc(C(=O)[O-])co1)N1CCC[C@@H](C2CCCCC2)C1 ZINC001593725985 996285851 /nfs/dbraw/zinc/28/58/51/996285851.db2.gz XFBSBDXOWDAYFW-TZMCWYRMSA-N -1 1 306.406 3.726 20 0 DHADMM C[C@@H](c1ncc(C(=O)[O-])s1)N1CCC(c2ccccc2)CC1 ZINC001593732516 996313645 /nfs/dbraw/zinc/31/36/45/996313645.db2.gz VZYJZTDPMAFXDN-LBPRGKRZSA-N -1 1 316.426 3.782 20 0 DHADMM CC1(C)C[C@@]1(NCc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC001593868133 996674219 /nfs/dbraw/zinc/67/42/19/996674219.db2.gz FDLFEPZXOLFNEO-LJQANCHMSA-N -1 1 313.372 3.939 20 0 DHADMM CC1(C)CN(Cc2ccc(C(=O)[O-])cc2F)Cc2ccccc21 ZINC001593942954 996977116 /nfs/dbraw/zinc/97/71/16/996977116.db2.gz WXJXPIFSFWFDOK-UHFFFAOYSA-N -1 1 313.372 3.817 20 0 DHADMM COc1cc(C)ccc1CN[C@H](C(=O)[O-])c1ccccc1Cl ZINC001599393426 997080802 /nfs/dbraw/zinc/08/08/02/997080802.db2.gz LRMNTZSOAOKDNX-INIZCTEOSA-N -1 1 319.788 3.573 20 0 DHADMM Cc1ccc(-c2ccc(CN[C@@H](C(=O)[O-])C(C)(C)C)o2)cc1 ZINC000277255268 1016112453 /nfs/dbraw/zinc/11/24/53/1016112453.db2.gz KGXYYHANGPHXJT-INIZCTEOSA-N -1 1 301.386 3.844 20 0 DHADMM C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1cc(C(=O)[O-])ccc1Cl ZINC001594177392 998688822 /nfs/dbraw/zinc/68/88/22/998688822.db2.gz XGPVHFMAORTMQN-KCJUWKMLSA-N -1 1 321.726 3.811 20 0 DHADMM CCCc1nc(C)c(NC(=O)c2ccc(CC)cc2[O-])s1 ZINC000622523887 1016437704 /nfs/dbraw/zinc/43/77/04/1016437704.db2.gz WWMRTRRYNVEZMX-UHFFFAOYSA-N -1 1 304.415 3.924 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ccc(Br)nc2)c1F ZINC001176664424 1035308556 /nfs/dbraw/zinc/30/85/56/1035308556.db2.gz ZBOOHMDKSZSHEA-UHFFFAOYSA-N -1 1 319.080 3.711 20 0 DHADMM Cc1ccc2c(c1)CN(C(=O)c1cc(F)ccc1[O-])C(C)(C)C2 ZINC000622620890 1016488072 /nfs/dbraw/zinc/48/80/72/1016488072.db2.gz JRTCABCEEPGALP-UHFFFAOYSA-N -1 1 313.372 3.817 20 0 DHADMM O=C([N-]c1nc(-c2ccccc2Cl)ns1)c1cscn1 ZINC000110382142 1016647907 /nfs/dbraw/zinc/64/79/07/1016647907.db2.gz OOQSCISOMYSPEI-UHFFFAOYSA-N -1 1 322.802 3.567 20 0 DHADMM O=C([O-])CC[C@H]1CCCC[N@H+]1Cc1cc(-c2cccs2)on1 ZINC000336852035 1016720535 /nfs/dbraw/zinc/72/05/35/1016720535.db2.gz HXVFCTLTHKLQOF-CYBMUJFWSA-N -1 1 320.414 3.622 20 0 DHADMM O=C([O-])CC[C@H]1CCCCN1Cc1cc(-c2cccs2)on1 ZINC000336852035 1016720546 /nfs/dbraw/zinc/72/05/46/1016720546.db2.gz HXVFCTLTHKLQOF-CYBMUJFWSA-N -1 1 320.414 3.622 20 0 DHADMM C[C@@]1(C(=O)[O-])CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000062875711 1016747540 /nfs/dbraw/zinc/74/75/40/1016747540.db2.gz HYZKUWKYPFHCLP-CQSZACIVSA-N -1 1 302.201 3.680 20 0 DHADMM O=C(Nc1ccc(CCC(F)(F)F)cc1)c1cncc([O-])c1 ZINC000175559094 1016868868 /nfs/dbraw/zinc/86/88/68/1016868868.db2.gz VIXWPPWSZRZWGI-UHFFFAOYSA-N -1 1 310.275 3.534 20 0 DHADMM Cc1cc(C)c([N-]S(=O)(=O)c2cc(C)cc(F)c2)c(C)c1 ZINC000176670969 1017024664 /nfs/dbraw/zinc/02/46/64/1017024664.db2.gz XNMLMORRZWZOFS-UHFFFAOYSA-N -1 1 307.390 3.860 20 0 DHADMM O=c1nc(C[N@H+]2C[C@H]3CCCCCC[C@H]32)[n-]c2ccsc21 ZINC000362215686 1032274711 /nfs/dbraw/zinc/27/47/11/1032274711.db2.gz BDZBVTNRMVEYHL-DGCLKSJQSA-N -1 1 303.431 3.552 20 0 DHADMM O=c1nc(CN2C[C@H]3CCCCCC[C@H]32)[n-]c2ccsc21 ZINC000362215686 1032274726 /nfs/dbraw/zinc/27/47/26/1032274726.db2.gz BDZBVTNRMVEYHL-DGCLKSJQSA-N -1 1 303.431 3.552 20 0 DHADMM COc1c(C)cc(Cl)cc1NC(=O)c1cccc([O-])c1F ZINC001147935246 1032350643 /nfs/dbraw/zinc/35/06/43/1032350643.db2.gz AZAPYNZJEWQJTA-UHFFFAOYSA-N -1 1 309.724 3.754 20 0 DHADMM CCO[C@@H]1[C@H](C)[C@@H]1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001148253389 1032380443 /nfs/dbraw/zinc/38/04/43/1032380443.db2.gz QVXHUIVHXXYZOX-WKFLNTIRSA-N -1 1 319.788 3.808 20 0 DHADMM CC(C)c1cc(NC(=O)c2ccc(C(F)(F)F)c([O-])c2)no1 ZINC001148269644 1032382649 /nfs/dbraw/zinc/38/26/49/1032382649.db2.gz PAPHHIOFMDJTKZ-UHFFFAOYSA-N -1 1 314.263 3.775 20 0 DHADMM Cc1ccc(-c2csc3[n-]c(-c4ccon4)nc(=O)c23)cc1C ZINC000074797473 1017270609 /nfs/dbraw/zinc/27/06/09/1017270609.db2.gz UZNZAIQOYICMLU-UHFFFAOYSA-N -1 1 323.377 3.923 20 0 DHADMM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2Cl)cc1F ZINC000121431898 1032445590 /nfs/dbraw/zinc/44/55/90/1032445590.db2.gz SPVUSDNABMFVFA-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM O=C(NC1(C(F)(F)F)CC1)c1cccc(-c2ccccc2)c1[O-] ZINC001148872585 1032449611 /nfs/dbraw/zinc/44/96/11/1032449611.db2.gz LANVBPYIAGBMMQ-UHFFFAOYSA-N -1 1 321.298 3.884 20 0 DHADMM C[C@@H](NC(=O)c1cccc(-c2ccccc2)c1[O-])c1ccncc1 ZINC001148861530 1032450007 /nfs/dbraw/zinc/45/00/07/1032450007.db2.gz SBUFTHOJGBVZAA-CQSZACIVSA-N -1 1 318.376 3.945 20 0 DHADMM CCc1ccc(C(C)(C)NC(=O)c2ccc([O-])cc2F)cc1 ZINC001149017635 1032458027 /nfs/dbraw/zinc/45/80/27/1032458027.db2.gz HFQMWOJCCAZJOQ-UHFFFAOYSA-N -1 1 301.361 3.759 20 0 DHADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(Cl)cc2C)c1 ZINC000121698692 1032466356 /nfs/dbraw/zinc/46/63/56/1032466356.db2.gz PLQHDPIQEVBPDS-UHFFFAOYSA-N -1 1 318.760 3.565 20 0 DHADMM CC(C)(C)c1ccncc1CNC(=O)c1cc(Cl)ccc1[O-] ZINC001299323473 1032468319 /nfs/dbraw/zinc/46/83/19/1032468319.db2.gz ANEBPXQVPWOKIX-UHFFFAOYSA-N -1 1 318.804 3.668 20 0 DHADMM CCOc1cc(-c2noc(C3(OC)CCC3)n2)cc(Cl)c1[O-] ZINC000277766540 1017097804 /nfs/dbraw/zinc/09/78/04/1017097804.db2.gz CDNGJDLKKWJBNV-UHFFFAOYSA-N -1 1 324.764 3.520 20 0 DHADMM O=C([O-])CC[C@H]1CCCCN1Cc1ncc(-c2cccs2)o1 ZINC000424267399 1011957368 /nfs/dbraw/zinc/95/73/68/1011957368.db2.gz YHAUFGKFAHVXAF-GFCCVEGCSA-N -1 1 320.414 3.622 20 0 DHADMM C[C@@H]1CCCN(Cc2ccc(-c3ccc(F)cc3)o2)[C@H]1C(=O)[O-] ZINC000424411140 1012021900 /nfs/dbraw/zinc/02/19/00/1012021900.db2.gz AKCUUUUPSIWOLA-SJKOYZFVSA-N -1 1 317.360 3.771 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C)cc3c2)cc1 ZINC000031721885 1012025230 /nfs/dbraw/zinc/02/52/30/1012025230.db2.gz UYTVHVCLSSYKII-UHFFFAOYSA-N -1 1 314.410 3.840 20 0 DHADMM O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)c1ccc([O-])c(F)c1 ZINC000683138241 1012083273 /nfs/dbraw/zinc/08/32/73/1012083273.db2.gz JUSZPBJPYXZFGS-GOEBONIOSA-N -1 1 313.372 3.988 20 0 DHADMM CCCc1[n-]n(-c2cc(Cl)nc3ncccc23)c(=O)c1CC ZINC000887294703 1032603867 /nfs/dbraw/zinc/60/38/67/1032603867.db2.gz JITCYNNZACJXOM-SNVBAGLBSA-N -1 1 316.792 3.812 20 0 DHADMM COc1ccc(C(=O)Nc2ccc3nc(C)sc3c2)c([O-])c1 ZINC000010783949 1012637873 /nfs/dbraw/zinc/63/78/73/1012637873.db2.gz CUTFNXRKSKRLPI-UHFFFAOYSA-N -1 1 314.366 3.571 20 0 DHADMM C[C@@H]1CCN(Cc2c(Cl)cccc2Cl)C[C@H]1C(=O)[O-] ZINC000516768970 1012828582 /nfs/dbraw/zinc/82/85/82/1012828582.db2.gz KADBMCKDBFPVBM-NXEZZACHSA-N -1 1 302.201 3.536 20 0 DHADMM C[C@@H]1CCCC[C@H]1CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000516840607 1012845635 /nfs/dbraw/zinc/84/56/35/1012845635.db2.gz CSUBWOZFVYQBTO-OCCSQVGLSA-N -1 1 313.401 3.937 20 0 DHADMM C[C@@H](NC(=O)c1cncc([O-])c1)c1cc(Cl)ccc1Cl ZINC000339876716 1012987657 /nfs/dbraw/zinc/98/76/57/1012987657.db2.gz AGOOXWAPXUGFBG-MRVPVSSYSA-N -1 1 311.168 3.585 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1csc([C@H]2CCCO2)n1 ZINC000154776703 1012988865 /nfs/dbraw/zinc/98/88/65/1012988865.db2.gz NOJQKOMNNSAKKV-GFCCVEGCSA-N -1 1 324.789 3.606 20 0 DHADMM Cc1cccc(CN(Cc2ccco2)C(=O)c2cncc([O-])c2)c1 ZINC000339885194 1012998213 /nfs/dbraw/zinc/99/82/13/1012998213.db2.gz OKQWUUBLTHIIET-UHFFFAOYSA-N -1 1 322.364 3.531 20 0 DHADMM CO[C@H](C)CO[C@@H](C)COc1cc(Cl)c([O-])cc1Cl ZINC001227644730 1017123716 /nfs/dbraw/zinc/12/37/16/1017123716.db2.gz CUDWKRGBYPSTPF-BDAKNGLRSA-N -1 1 309.189 3.518 20 0 DHADMM CCOc1cc(-c2nc(-c3cccnc3)no2)cc(Cl)c1[O-] ZINC000350603008 1017305400 /nfs/dbraw/zinc/30/54/00/1017305400.db2.gz VBRSVKFPFOPZEH-UHFFFAOYSA-N -1 1 317.732 3.556 20 0 DHADMM CC(C)Oc1ccc2ccccc2c1C[N-]C(=O)C(F)(F)F ZINC000185840808 1017375799 /nfs/dbraw/zinc/37/57/99/1017375799.db2.gz ODAZOOBIDGHGSX-UHFFFAOYSA-N -1 1 311.303 3.806 20 0 DHADMM COCCOCc1ccc(NCc2cccc([O-])c2Cl)cc1 ZINC000623760506 1017381095 /nfs/dbraw/zinc/38/10/95/1017381095.db2.gz DFQFBADPOFHJDS-UHFFFAOYSA-N -1 1 321.804 3.821 20 0 DHADMM O=C(Nc1ccc(OCc2ccccc2)nc1)c1ccccc1[O-] ZINC000614755302 1017391791 /nfs/dbraw/zinc/39/17/91/1017391791.db2.gz NHKZFDJEDUBSJV-UHFFFAOYSA-N -1 1 320.348 3.619 20 0 DHADMM C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2ccc(Cl)cc2[O-])o1 ZINC000614755033 1017393454 /nfs/dbraw/zinc/39/34/54/1017393454.db2.gz UNBXWVVUPHJNBL-NOZJJQNGSA-N -1 1 305.761 3.692 20 0 DHADMM CC(C)c1nsc([N-]C(=O)c2ccc(F)c(Cl)c2F)n1 ZINC000874695784 1032708388 /nfs/dbraw/zinc/70/83/88/1032708388.db2.gz NDOUTYNZBFNKDL-UHFFFAOYSA-N -1 1 317.748 3.845 20 0 DHADMM CCCCCc1nnc([N-]C(=O)c2cc(C(C)(C)C)on2)s1 ZINC000152100905 1017845432 /nfs/dbraw/zinc/84/54/32/1017845432.db2.gz FIUJGSIAUWFULH-UHFFFAOYSA-N -1 1 322.434 3.809 20 0 DHADMM O=C(Nc1cccc(O)c1F)c1ccc(C(F)(F)F)cc1[O-] ZINC000182079211 1017857380 /nfs/dbraw/zinc/85/73/80/1017857380.db2.gz XKXOZUIEUPKVRZ-UHFFFAOYSA-N -1 1 315.222 3.508 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cnc4ccccc4n3)n2)c(Cl)c1 ZINC000445448219 1017857444 /nfs/dbraw/zinc/85/74/44/1017857444.db2.gz REXAWUHXHCUZLT-UHFFFAOYSA-N -1 1 324.727 3.706 20 0 DHADMM COc1ccc([C@H](C)CC(=O)Nc2c([O-])cccc2F)cc1 ZINC000674266258 1017931701 /nfs/dbraw/zinc/93/17/01/1017931701.db2.gz IEZZBGGYAAYOLZ-LLVKDONJSA-N -1 1 303.333 3.672 20 0 DHADMM COc1cc(C(=O)Nc2cccc3[nH]ccc32)cc(Cl)c1[O-] ZINC000153722035 1017991602 /nfs/dbraw/zinc/99/16/02/1017991602.db2.gz GNFYGVFGICQERG-UHFFFAOYSA-N -1 1 316.744 3.788 20 0 DHADMM COc1ncc(Nc2cc(Cl)cc(Cl)c2[O-])cc1F ZINC001203408459 1018009293 /nfs/dbraw/zinc/00/92/93/1018009293.db2.gz KCMQLQUFPGKDQL-UHFFFAOYSA-N -1 1 303.120 3.985 20 0 DHADMM CSCc1ccccc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000184029998 1018056317 /nfs/dbraw/zinc/05/63/17/1018056317.db2.gz CILBACVPEMYAMI-UHFFFAOYSA-N -1 1 307.440 3.659 20 0 DHADMM CCN(CCc1ccccn1)C(=O)c1cc2ccccc2cc1[O-] ZINC000764360052 1018257198 /nfs/dbraw/zinc/25/71/98/1018257198.db2.gz CTEFBIIWWMWKQM-UHFFFAOYSA-N -1 1 320.392 3.645 20 0 DHADMM CCOc1cc(-c2noc(C3CC=CC3)n2)cc(Cl)c1[O-] ZINC000278210468 1018365297 /nfs/dbraw/zinc/36/52/97/1018365297.db2.gz ZDERTEGZMUJMJD-UHFFFAOYSA-N -1 1 306.749 3.928 20 0 DHADMM C[C@@H]1CC(=O)CC[C@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278229972 1018406363 /nfs/dbraw/zinc/40/63/63/1018406363.db2.gz RPHBPMIRFXBWEW-LDYMZIIASA-N -1 1 306.749 3.568 20 0 DHADMM O=C1[N-]C(=O)C(=Cc2ccc(Cl)c(C(F)(F)F)c2)S1 ZINC000874927579 1032764411 /nfs/dbraw/zinc/76/44/11/1032764411.db2.gz JWDYUGKSVLUMEM-YWEYNIOJSA-N -1 1 307.680 3.683 20 0 DHADMM Cc1n[nH]c(C)c1[C@@H](C)c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000278283645 1018511164 /nfs/dbraw/zinc/51/11/64/1018511164.db2.gz WJTHBDWEUOLLKY-SSDOTTSWSA-N -1 1 318.764 3.587 20 0 DHADMM C[C@H]1CCN(Cc2cccc(Cl)c2Cl)C[C@@H]1C(=O)[O-] ZINC000583564179 1018560577 /nfs/dbraw/zinc/56/05/77/1018560577.db2.gz DIECKFSTKCGPGF-ONGXEEELSA-N -1 1 302.201 3.536 20 0 DHADMM O=C([O-])C[C@@H]1CCCN(Cc2csc(C3CCCCC3)n2)C1 ZINC000676234309 1018685485 /nfs/dbraw/zinc/68/54/85/1018685485.db2.gz YXKUYOJPWKXMHV-ZDUSSCGKSA-N -1 1 322.474 3.878 20 0 DHADMM CCC(C)(C)CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000072700499 1018771311 /nfs/dbraw/zinc/77/13/11/1018771311.db2.gz JLTFUBXJRJFVPB-UHFFFAOYSA-N -1 1 317.429 3.640 20 0 DHADMM CC[C@@H](C)Sc1ccc(NC(=O)C2=C([O-])C(C)N=N2)c(C)c1 ZINC000676631526 1018788132 /nfs/dbraw/zinc/78/81/32/1018788132.db2.gz YUKVZDVRWGSJFK-SNVBAGLBSA-N -1 1 319.430 3.875 20 0 DHADMM O=C(Nc1ccc(Nc2ccccc2)nc1)c1cccc([O-])c1F ZINC001626028784 1018874448 /nfs/dbraw/zinc/87/44/48/1018874448.db2.gz DBIGACYLAKXGJL-UHFFFAOYSA-N -1 1 323.327 3.922 20 0 DHADMM CCN(CC(C)(C)C)C(=O)c1ccc(Br)c([O-])c1 ZINC000386323395 1018915142 /nfs/dbraw/zinc/91/51/42/1018915142.db2.gz ITLBVDFPQQIZBJ-UHFFFAOYSA-N -1 1 314.223 3.663 20 0 DHADMM COc1ccc2cc(C(=O)Nc3cccc(F)c3[O-])ccc2c1 ZINC001171632672 1032795863 /nfs/dbraw/zinc/79/58/63/1032795863.db2.gz KBYATVWESDOTLU-UHFFFAOYSA-N -1 1 311.312 3.945 20 0 DHADMM [O-]c1c(F)cc(Nc2ncc(C(F)(F)F)cn2)cc1Cl ZINC001214480624 1018957515 /nfs/dbraw/zinc/95/75/15/1018957515.db2.gz VPFUCKDLAPEIFO-UHFFFAOYSA-N -1 1 307.634 3.737 20 0 DHADMM O=C([N-]Cc1ccc(F)cc1F)C(F)(F)c1ccccc1F ZINC000765604968 1018993909 /nfs/dbraw/zinc/99/39/09/1018993909.db2.gz SMOCKZUSSNROSU-UHFFFAOYSA-N -1 1 315.241 3.512 20 0 DHADMM [O-]c1ccc(-c2nc(Cc3ccc(F)cc3Cl)no2)c(F)c1 ZINC000318116327 1019021412 /nfs/dbraw/zinc/02/14/12/1019021412.db2.gz PFIMIJVERVCECB-UHFFFAOYSA-N -1 1 322.698 3.965 20 0 DHADMM O=S(=O)([N-]c1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000007402228 1019024775 /nfs/dbraw/zinc/02/47/75/1019024775.db2.gz PRVUHJCILSUGCA-UHFFFAOYSA-N -1 1 302.182 3.794 20 0 DHADMM COc1cc(Cl)ncc1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214486443 1019082622 /nfs/dbraw/zinc/08/26/22/1019082622.db2.gz IFZCYKXVWNXBKP-UHFFFAOYSA-N -1 1 303.120 3.985 20 0 DHADMM [O-]c1cccnc1-c1nc(-c2ccccc2C(F)(F)F)no1 ZINC001212480761 1019418487 /nfs/dbraw/zinc/41/84/87/1019418487.db2.gz GXKKBYNZWFHUOY-UHFFFAOYSA-N -1 1 307.231 3.523 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)sc1C ZINC000091011896 1019428598 /nfs/dbraw/zinc/42/85/98/1019428598.db2.gz OPGUOQKAQUMYNM-UHFFFAOYSA-N -1 1 319.810 3.958 20 0 DHADMM O=C(NCCCOC1CCCCC1)c1c([O-])cccc1Cl ZINC000143873445 1019508112 /nfs/dbraw/zinc/50/81/12/1019508112.db2.gz YZILTNOZVQECIS-UHFFFAOYSA-N -1 1 311.809 3.515 20 0 DHADMM CC(C)[C@@H](CNC(=O)c1ccc([O-])c(F)c1)Cc1ccccc1 ZINC000682571988 1019651796 /nfs/dbraw/zinc/65/17/96/1019651796.db2.gz WIAGOPAIGXSVPZ-MRXNPFEDSA-N -1 1 315.388 3.776 20 0 DHADMM O=C(NCCCOC1CCCC1)c1cc2ccccc2cc1[O-] ZINC000061260909 1019742137 /nfs/dbraw/zinc/74/21/37/1019742137.db2.gz XUVALRULXBTBIB-UHFFFAOYSA-N -1 1 313.397 3.625 20 0 DHADMM CCOc1ccc2cc(C(=O)Nc3ccc(F)cc3[O-])[nH]c2c1 ZINC000532267166 1019787585 /nfs/dbraw/zinc/78/75/85/1019787585.db2.gz GLGQPWUHJLMGSB-UHFFFAOYSA-N -1 1 314.316 3.664 20 0 DHADMM CC1(C)CCC(C[N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)CC1 ZINC000389982774 1019906057 /nfs/dbraw/zinc/90/60/57/1019906057.db2.gz LBGIVKRRRHSZJF-KRWDZBQOSA-N -1 1 301.430 3.887 20 0 DHADMM CC(C)c1ncc2c(n1)CCN(Cc1cccc([O-])c1Cl)C2 ZINC000143250742 1019941914 /nfs/dbraw/zinc/94/19/14/1019941914.db2.gz PHPPWMYZZXNEDO-UHFFFAOYSA-N -1 1 317.820 3.517 20 0 DHADMM COc1ccc(C)cc1CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000685575129 1019962471 /nfs/dbraw/zinc/96/24/71/1019962471.db2.gz GDLMADCKOXCMFK-UHFFFAOYSA-N -1 1 312.341 3.729 20 0 DHADMM CO[C@@H](C)CCC(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000628233122 1020036325 /nfs/dbraw/zinc/03/63/25/1020036325.db2.gz IEGUVPMKDHTUAF-JTQLQIEISA-N -1 1 307.777 3.952 20 0 DHADMM O=C1c2ccc([O-])cc2C/C1=C\c1cc([N+](=O)[O-])ccc1Cl ZINC000187220292 1020060975 /nfs/dbraw/zinc/06/09/75/1020060975.db2.gz SFIXYSHKBLMPJT-IZZDOVSWSA-N -1 1 315.712 3.776 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])c1ccc(C(F)(F)F)s1 ZINC000671785037 1020165351 /nfs/dbraw/zinc/16/53/51/1020165351.db2.gz URZWGVLRZRFQPR-UHFFFAOYSA-N -1 1 305.252 3.864 20 0 DHADMM CC1(C)C[C@@]1(CNC(=O)c1ccc(F)c([O-])c1)c1ccccc1 ZINC001167687122 1020362813 /nfs/dbraw/zinc/36/28/13/1020362813.db2.gz HJDWFYGRMRVDQZ-LJQANCHMSA-N -1 1 313.372 3.629 20 0 DHADMM O=c1nc(NC[C@H]2CCC[C@H](C(F)(F)F)C2)cc(Cl)[n-]1 ZINC000858440244 1032898430 /nfs/dbraw/zinc/89/84/30/1032898430.db2.gz OGBXZLQSEOLSOB-YUMQZZPRSA-N -1 1 309.719 3.616 20 0 DHADMM O=C1c2ccc([O-])cc2C/C1=C\c1c(Cl)nc2ccccn12 ZINC000187220151 1020511316 /nfs/dbraw/zinc/51/13/16/1020511316.db2.gz ONLGDLGZAJZVRY-PKNBQFBNSA-N -1 1 310.740 3.516 20 0 DHADMM O=S(=O)(/C=C/c1ccccc1)[N-]c1ccc2ccccc2n1 ZINC000734975702 1020682125 /nfs/dbraw/zinc/68/21/25/1020682125.db2.gz XFXDUCHMKJIJQR-OUKQBFOZSA-N -1 1 310.378 3.647 20 0 DHADMM CCCCCC[C@@H](CC)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000735040007 1020686651 /nfs/dbraw/zinc/68/66/51/1020686651.db2.gz IYRMKFHBGPCSJL-SECBINFHSA-N -1 1 306.332 3.759 20 0 DHADMM Cc1cc(C)cc(CNC(=O)c2ccc(C(F)(F)F)c([O-])c2)c1 ZINC001167690735 1020702767 /nfs/dbraw/zinc/70/27/67/1020702767.db2.gz MIXHCAKGITWCAF-UHFFFAOYSA-N -1 1 323.314 3.958 20 0 DHADMM O=c1nc(N[C@@H]2CCC[C@@H](c3ccccc3)C2)cc(Cl)[n-]1 ZINC000858514618 1032929153 /nfs/dbraw/zinc/92/91/53/1032929153.db2.gz VGCHUJISUWSTHF-CHWSQXEVSA-N -1 1 303.793 3.974 20 0 DHADMM O=c1nc(N[C@@H]2CCC[C@H](c3ccccc3)C2)cc(Cl)[n-]1 ZINC000858514623 1032929609 /nfs/dbraw/zinc/92/96/09/1032929609.db2.gz VGCHUJISUWSTHF-QWHCGFSZSA-N -1 1 303.793 3.974 20 0 DHADMM CC(C)[C@@H](NC(=O)c1cc(Cl)ccc1[O-])c1ccccn1 ZINC000736505141 1020819572 /nfs/dbraw/zinc/81/95/72/1020819572.db2.gz NZMSKMHKVCMBJF-OAHLLOKOSA-N -1 1 304.777 3.568 20 0 DHADMM Cc1cccc(COC(=O)c2ccc(Cl)c(Cl)c2[O-])n1 ZINC000736818087 1020833652 /nfs/dbraw/zinc/83/36/52/1020833652.db2.gz DSHFKWMEAXTKEL-UHFFFAOYSA-N -1 1 312.152 3.759 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000613304575 1020895106 /nfs/dbraw/zinc/89/51/06/1020895106.db2.gz IAMBSROPZBXMQV-MXWKQRLJSA-N -1 1 324.218 3.838 20 0 DHADMM C[C@H]1CC[C@]2(CCN(C(=O)c3ncc4ccccc4c3[O-])C2)C1 ZINC000613396738 1020930072 /nfs/dbraw/zinc/93/00/72/1020930072.db2.gz WSQKBBCNQVPBQP-DJJJIMSYSA-N -1 1 310.397 3.593 20 0 DHADMM CCCCCC[C@@H](C)CC(=O)NCc1n[n-]c(=S)n1C1CC1 ZINC000066637936 1021002962 /nfs/dbraw/zinc/00/29/62/1021002962.db2.gz GUUNHEOCHMFAEF-GFCCVEGCSA-N -1 1 324.494 3.888 20 0 DHADMM O=C(COc1ccc(Cl)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000067738955 1021197215 /nfs/dbraw/zinc/19/72/15/1021197215.db2.gz MUYUTCYELHMSIJ-UHFFFAOYSA-N -1 1 312.152 3.717 20 0 DHADMM CC(C)N(C)c1ccccc1NC(=O)c1ccc([O-])cc1F ZINC000670384793 1021277046 /nfs/dbraw/zinc/27/70/46/1021277046.db2.gz FBHZKXIEVZMQSE-UHFFFAOYSA-N -1 1 302.349 3.628 20 0 DHADMM Cc1ccc(C(=O)CCC(=O)Nc2c([O-])cccc2F)cc1C ZINC000743417625 1021289726 /nfs/dbraw/zinc/28/97/26/1021289726.db2.gz YJKCYBLEYKHJHF-UHFFFAOYSA-N -1 1 315.344 3.750 20 0 DHADMM O=c1cc(C(F)F)nc(SCCOC2CCCCC2)[n-]1 ZINC000917745804 1021357208 /nfs/dbraw/zinc/35/72/08/1021357208.db2.gz JAOIGKMTNCYZEQ-UHFFFAOYSA-N -1 1 304.362 3.561 20 0 DHADMM C[C@H](CNC(=O)c1ccc(C(F)(F)F)c([O-])c1)c1ccccc1 ZINC000670420233 1021388475 /nfs/dbraw/zinc/38/84/75/1021388475.db2.gz WKDVDCVQLUWBPH-LLVKDONJSA-N -1 1 323.314 3.945 20 0 DHADMM C[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2Cl)[C@H](C(=O)[O-])C1 ZINC000129413271 1021484504 /nfs/dbraw/zinc/48/45/04/1021484504.db2.gz FWIGFDHHQHWZFV-RNCFNFMXSA-N -1 1 302.201 3.679 20 0 DHADMM CC(C)Oc1ncccc1CNCc1cccc([O-])c1Cl ZINC000393256123 1021502091 /nfs/dbraw/zinc/50/20/91/1021502091.db2.gz IDDLSBMTOJTTLS-UHFFFAOYSA-N -1 1 306.793 3.518 20 0 DHADMM Cc1ccc(Br)cc1NC(=O)c1ccc([O-])cc1F ZINC000181890787 1021528259 /nfs/dbraw/zinc/52/82/59/1021528259.db2.gz QYNMEKRXKNLWRN-UHFFFAOYSA-N -1 1 324.149 3.855 20 0 DHADMM O=c1oc2cc([O-])ccc2cc1Nc1ccnc(Cl)c1Cl ZINC001212234585 1021584838 /nfs/dbraw/zinc/58/48/38/1021584838.db2.gz KBYXOIQCTQSMPQ-UHFFFAOYSA-N -1 1 323.135 3.944 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C[C@@H]2CCCC[C@H]2C)c1 ZINC000744867144 1021614808 /nfs/dbraw/zinc/61/48/08/1021614808.db2.gz JGYILUIWGNZHEY-HIFRSBDPSA-N -1 1 318.413 3.897 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@@H](C)CC2CCCC2)c1 ZINC000745038398 1021638836 /nfs/dbraw/zinc/63/88/36/1021638836.db2.gz CFILJHNFNKKJMX-ZDUSSCGKSA-N -1 1 318.413 3.897 20 0 DHADMM C[C@H](NC(=O)c1cncc([O-])c1)c1ccc(Cl)cc1Cl ZINC000111771403 1021666658 /nfs/dbraw/zinc/66/66/58/1021666658.db2.gz LIOIZPRPHRBKRC-QMMMGPOBSA-N -1 1 311.168 3.585 20 0 DHADMM [O-]c1ccc(-c2nc3ccc(Cl)nc3[nH]2)cc1Br ZINC000154867402 1021691042 /nfs/dbraw/zinc/69/10/42/1021691042.db2.gz YZPOCRCRIMSBIQ-UHFFFAOYSA-N -1 1 324.565 3.746 20 0 DHADMM Cc1[n-][nH]c(=O)c1NC(=O)Cc1ccc(C2CCCCC2)cc1 ZINC000615229295 1021780294 /nfs/dbraw/zinc/78/02/94/1021780294.db2.gz QFDFEYZFQAEAIJ-UHFFFAOYSA-N -1 1 313.401 3.653 20 0 DHADMM Cc1csc(-c2nc(=O)c3cc(C(C)(C)C)sc3[n-]2)n1 ZINC000183648223 1021900471 /nfs/dbraw/zinc/90/04/71/1021900471.db2.gz GREHJOPRULNOQJ-UHFFFAOYSA-N -1 1 305.428 3.714 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000556935276 1021960080 /nfs/dbraw/zinc/96/00/80/1021960080.db2.gz BKAUSFURFNCCSV-YUMQZZPRSA-N -1 1 307.699 3.963 20 0 DHADMM Cc1ccc2cccc(C(=O)Nc3cc([O-])c(F)cc3F)c2n1 ZINC001625893370 1021973960 /nfs/dbraw/zinc/97/39/60/1021973960.db2.gz IHJGBKXABFHFQO-UHFFFAOYSA-N -1 1 314.291 3.779 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)C1(c2cccc(F)c2)CCC1 ZINC001625894101 1022002489 /nfs/dbraw/zinc/00/24/89/1022002489.db2.gz RZPCZRCAHWFGMA-UHFFFAOYSA-N -1 1 321.298 3.870 20 0 DHADMM O=C(c1ncc2ccccc2c1[O-])N(C1CC1)C1CCCCC1 ZINC000667058675 1033025082 /nfs/dbraw/zinc/02/50/82/1033025082.db2.gz ISOPNEOFKZVJAP-UHFFFAOYSA-N -1 1 310.397 3.878 20 0 DHADMM O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3)o2)S1 ZINC000033908043 1022059075 /nfs/dbraw/zinc/05/90/75/1022059075.db2.gz RRAONENOLKGLHR-GHXNOFRVSA-N -1 1 305.742 3.924 20 0 DHADMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1cc(F)cc(C(F)(F)F)c1 ZINC000263488800 1022063001 /nfs/dbraw/zinc/06/30/01/1022063001.db2.gz IBNUSXUCAACBFE-ONGXEEELSA-N -1 1 319.298 3.530 20 0 DHADMM [O-]c1ccc(-c2cnc(C(F)(F)F)cn2)cc1C(F)(F)F ZINC001242148410 1022099142 /nfs/dbraw/zinc/09/91/42/1022099142.db2.gz XJDXGASEXZPUDK-UHFFFAOYSA-N -1 1 308.181 3.887 20 0 DHADMM Cc1ccc2c(c1)CC[C@H]2NC(=O)c1c([O-])cccc1Cl ZINC000920463149 1022123758 /nfs/dbraw/zinc/12/37/58/1022123758.db2.gz PSDKXXWCNYUGPB-CQSZACIVSA-N -1 1 301.773 3.771 20 0 DHADMM CC(C)N(C)c1ccc(NC(=O)c2ccc([O-])cc2F)cc1F ZINC000181160543 1022192223 /nfs/dbraw/zinc/19/22/23/1022192223.db2.gz YUXISUNZUQNVSK-UHFFFAOYSA-N -1 1 320.339 3.767 20 0 DHADMM C[C@H](C1CC1)N(C(=O)NCc1ccc([O-])c(Cl)c1)C1CC1 ZINC000876394570 1033036999 /nfs/dbraw/zinc/03/69/99/1033036999.db2.gz XTIOVARKJYEQMB-SNVBAGLBSA-N -1 1 308.809 3.518 20 0 DHADMM N#CC1(c2ccc(C(=O)Nc3ccc([O-])c(Cl)c3)cc2)CC1 ZINC000181478216 1022214683 /nfs/dbraw/zinc/21/46/83/1022214683.db2.gz PBZLWQJUYFSGMI-UHFFFAOYSA-N -1 1 312.756 3.853 20 0 DHADMM COc1cc(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)cc(Cl)c1[O-] ZINC000153839399 1022256850 /nfs/dbraw/zinc/25/68/50/1022256850.db2.gz AXXWRNOHHXTAFQ-SUNKGSAMSA-N -1 1 323.820 3.847 20 0 DHADMM COc1ccc(C(=O)Nc2ccc3cc(OC)ccc3c2)c([O-])c1 ZINC000804306652 1022258936 /nfs/dbraw/zinc/25/89/36/1022258936.db2.gz BPIFIIULLDIUKX-UHFFFAOYSA-N -1 1 323.348 3.815 20 0 DHADMM CSCc1cccc([N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000609459843 1022284894 /nfs/dbraw/zinc/28/48/94/1022284894.db2.gz ZKTYAXCRIAPAOB-UHFFFAOYSA-N -1 1 307.440 3.659 20 0 DHADMM O=C(NCc1ccc([O-])c(Cl)c1)N1CC[C@@H]2CCCC[C@@H]21 ZINC000876400241 1033039640 /nfs/dbraw/zinc/03/96/40/1033039640.db2.gz WXPMOHNUBNQQDG-JSGCOSHPSA-N -1 1 308.809 3.520 20 0 DHADMM COc1ccc(C(=O)Nc2cccc3ccc(O)cc32)c([O-])c1 ZINC000154884057 1022342304 /nfs/dbraw/zinc/34/23/04/1022342304.db2.gz GRMHTXNIDQTWSP-UHFFFAOYSA-N -1 1 309.321 3.512 20 0 DHADMM O=C(N[C@@H]1CCc2ccc(Cl)cc21)c1cccc([O-])c1F ZINC001169300849 1022353116 /nfs/dbraw/zinc/35/31/16/1022353116.db2.gz QPUSUMRHXYNBBQ-CYBMUJFWSA-N -1 1 305.736 3.602 20 0 DHADMM CCOc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1OC ZINC000111666795 1022362078 /nfs/dbraw/zinc/36/20/78/1022362078.db2.gz JIUURORHNRLRTO-UHFFFAOYSA-N -1 1 321.760 3.705 20 0 DHADMM CC(C)(C)c1cc(C(=O)Nc2cc(F)c([O-])cc2Cl)no1 ZINC000885675888 1022445472 /nfs/dbraw/zinc/44/54/72/1022445472.db2.gz DHVUFFBPKWBDPV-UHFFFAOYSA-N -1 1 312.728 3.723 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)[C@@H]1CCCc2cccnc21 ZINC000885678441 1022462666 /nfs/dbraw/zinc/46/26/66/1022462666.db2.gz PCSGYRMMXVJMMN-SNVBAGLBSA-N -1 1 320.751 3.638 20 0 DHADMM O=C(Cc1coc2ccc3ccccc3c12)[N-]OCC(F)(F)F ZINC000766764893 1022473124 /nfs/dbraw/zinc/47/31/24/1022473124.db2.gz LRHXZMIHLLYSRY-UHFFFAOYSA-N -1 1 323.270 3.739 20 0 DHADMM CSc1ccc([O-])c(C(=O)Nc2scnc2C(C)C)c1 ZINC000854847494 1022536069 /nfs/dbraw/zinc/53/60/69/1022536069.db2.gz DSIXUNHYFCVNSS-UHFFFAOYSA-N -1 1 308.428 3.946 20 0 DHADMM CCC[C@H]1CCCN1C(=O)c1ccc(Br)cc1[O-] ZINC000396792988 1022601883 /nfs/dbraw/zinc/60/18/83/1022601883.db2.gz UNEZMUHXLATOJJ-NSHDSACASA-N -1 1 312.207 3.559 20 0 DHADMM O=C(c1ccc([O-])c(F)c1)N1CCC(C2CCCCC2)CC1 ZINC000767296011 1022684109 /nfs/dbraw/zinc/68/41/09/1022684109.db2.gz CVTSYGUWNNZNRF-UHFFFAOYSA-N -1 1 305.393 3.964 20 0 DHADMM C[C@H](Cc1ccccc1Cl)NC(=O)c1ccc([O-])c(F)c1 ZINC000767299802 1022684564 /nfs/dbraw/zinc/68/45/64/1022684564.db2.gz XUDRTYOMRHVJEL-SNVBAGLBSA-N -1 1 307.752 3.546 20 0 DHADMM CC(C)c1cc(C(=O)[N-]c2c3nsnc3ccc2Cl)no1 ZINC000181233912 1023005735 /nfs/dbraw/zinc/00/57/35/1023005735.db2.gz PWPGBGPMEJUUML-UHFFFAOYSA-N -1 1 322.777 3.708 20 0 DHADMM CCON(CC1CCCCC1)C(=O)c1c(F)ccc([O-])c1F ZINC000857532333 1023029562 /nfs/dbraw/zinc/02/95/62/1023029562.db2.gz MJMLDEFQZSYYMW-UHFFFAOYSA-N -1 1 313.344 3.644 20 0 DHADMM CC[C@@H](C)[C@H](NC(=O)c1c([O-])cccc1Cl)C(F)(F)F ZINC000769081617 1023084487 /nfs/dbraw/zinc/08/44/87/1023084487.db2.gz GEBOLVGAKWPDAM-HQJQHLMTSA-N -1 1 309.715 3.752 20 0 DHADMM O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000622324461 1023108995 /nfs/dbraw/zinc/10/89/95/1023108995.db2.gz RGHWEXHMRFTSOR-ZDUSSCGKSA-N -1 1 313.250 3.565 20 0 DHADMM CC[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ccccc1OC ZINC000769685248 1023190294 /nfs/dbraw/zinc/19/02/94/1023190294.db2.gz BSAORNWZXXBLAC-CYBMUJFWSA-N -1 1 319.788 3.935 20 0 DHADMM C[C@H]1c2c(F)cccc2CCN1C(=O)c1c([O-])cccc1Cl ZINC000769901472 1023228911 /nfs/dbraw/zinc/22/89/11/1023228911.db2.gz YNQATKKNGPDMPH-JTQLQIEISA-N -1 1 319.763 3.944 20 0 DHADMM CC[C@@H](c1ccncc1)N(C)C(=O)c1c([O-])cccc1Cl ZINC000769897375 1023229799 /nfs/dbraw/zinc/22/97/99/1023229799.db2.gz PMAGMVDBLRKVAI-ZDUSSCGKSA-N -1 1 304.777 3.664 20 0 DHADMM CCS[C@@H]1CCCC[C@H]1NC(=O)c1c([O-])cccc1Cl ZINC000769957736 1023245427 /nfs/dbraw/zinc/24/54/27/1023245427.db2.gz OQICGNHHXYQWBF-DGCLKSJQSA-N -1 1 313.850 3.840 20 0 DHADMM C[C@@H]1CN(C(=O)c2c([O-])cccc2Cl)[C@H]1c1ccccc1 ZINC000769922841 1023249018 /nfs/dbraw/zinc/24/90/18/1023249018.db2.gz MOANIGKYSLGIOB-BDJLRTHQSA-N -1 1 301.773 3.879 20 0 DHADMM C[C@@H](CC(C)(C)C)C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000772613947 1023573740 /nfs/dbraw/zinc/57/37/40/1023573740.db2.gz LEUHACAJRHSOQH-NSHDSACASA-N -1 1 318.369 3.614 20 0 DHADMM Cc1cc([C@@H](C)N(C)Cc2ccc(F)c(C)c2)oc1C(=O)[O-] ZINC000652446621 1023871303 /nfs/dbraw/zinc/87/13/03/1023871303.db2.gz ODRKLHMYRSFZJG-GFCCVEGCSA-N -1 1 305.349 3.927 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])c1cc2sccc2s1 ZINC000790046651 1024205005 /nfs/dbraw/zinc/20/50/05/1024205005.db2.gz JZRVXGKZDYZHOG-UHFFFAOYSA-N -1 1 310.787 3.969 20 0 DHADMM Cc1ccc(C(=O)Nc2nc(Cl)ccc2[O-])c(Cl)c1C ZINC000790047611 1024211896 /nfs/dbraw/zinc/21/18/96/1024211896.db2.gz MDEWCGXWIVMACR-UHFFFAOYSA-N -1 1 311.168 3.963 20 0 DHADMM CSCc1ccc(C(=O)Nc2nc(Cl)ccc2[O-])cc1 ZINC000790047139 1024214304 /nfs/dbraw/zinc/21/43/04/1024214304.db2.gz XNHLVZZDMYMBAJ-UHFFFAOYSA-N -1 1 308.790 3.556 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc2sccc2c1 ZINC000790055972 1024215800 /nfs/dbraw/zinc/21/58/00/1024215800.db2.gz IMEXANJOOCNFHB-UHFFFAOYSA-N -1 1 304.758 3.908 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])C1(c2ccc(F)cc2)CCC1 ZINC000790055898 1024216456 /nfs/dbraw/zinc/21/64/56/1024216456.db2.gz HONAFDCXUGGUHZ-UHFFFAOYSA-N -1 1 320.751 3.640 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000269029974 1024226340 /nfs/dbraw/zinc/22/63/40/1024226340.db2.gz MDGDHAWLEMWADG-BDAKNGLRSA-N -1 1 305.271 3.839 20 0 DHADMM Cc1cc(C)cc([C@H](C)NC(=O)c2c(F)ccc([O-])c2F)c1 ZINC000538834997 1033197486 /nfs/dbraw/zinc/19/74/86/1033197486.db2.gz PNIZLLANZHUTGL-NSHDSACASA-N -1 1 305.324 3.778 20 0 DHADMM CCC(CC)n1ncc(C(=O)Nc2ccc(F)cc2[O-])c1C ZINC000270359245 1024381074 /nfs/dbraw/zinc/38/10/74/1024381074.db2.gz RCTUDBZATHKVDM-UHFFFAOYSA-N -1 1 305.353 3.650 20 0 DHADMM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2sccc2Cl)[C@H]1C ZINC001211697135 1024548272 /nfs/dbraw/zinc/54/82/72/1024548272.db2.gz KYDXSAHQWAOSNT-VWYCJHECSA-N -1 1 321.895 3.752 20 0 DHADMM Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000532266473 1024591033 /nfs/dbraw/zinc/59/10/33/1024591033.db2.gz DRROGGDZRZRHCD-SNVBAGLBSA-N -1 1 323.751 3.899 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(NCC2CC2)nc1 ZINC000283271898 1024617006 /nfs/dbraw/zinc/61/70/06/1024617006.db2.gz RQGMUIWZVWAUFK-UHFFFAOYSA-N -1 1 317.776 3.515 20 0 DHADMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1CCC[C@@H](CCF)C1 ZINC000618698861 1024643552 /nfs/dbraw/zinc/64/35/52/1024643552.db2.gz YGCZIBQNEGJHNP-JTQLQIEISA-N -1 1 319.298 3.623 20 0 DHADMM CCOc1cc(C(=O)N2CC[C@H](C3CCC3)C2)cc(Cl)c1[O-] ZINC000666075119 1024671496 /nfs/dbraw/zinc/67/14/96/1024671496.db2.gz SJZPUOJKRWHJBS-LBPRGKRZSA-N -1 1 323.820 3.707 20 0 DHADMM O=C(Nc1cc(F)ccc1F)Nc1cc(F)cc(F)c1[O-] ZINC001202660319 1024784194 /nfs/dbraw/zinc/78/41/94/1024784194.db2.gz WZFJUWCWRWRCQU-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM COCCN(Cc1cccs1)Cc1cccc([O-])c1Cl ZINC000350299965 1024805125 /nfs/dbraw/zinc/80/51/25/1024805125.db2.gz IOYAKNMFXYSKEU-UHFFFAOYSA-N -1 1 311.834 3.756 20 0 DHADMM CCc1ccc(-c2ccc(-c3noc(-c4cn[n-]n4)n3)cc2)cc1 ZINC001212799124 1024981809 /nfs/dbraw/zinc/98/18/09/1024981809.db2.gz KERLWJUDDPLVHR-UHFFFAOYSA-N -1 1 317.352 3.751 20 0 DHADMM CCC(C)(C)CCSc1nc(=O)cc(O)n1C1CCCC1 ZINC000436203717 1025094758 /nfs/dbraw/zinc/09/47/58/1025094758.db2.gz PIJZGUDKJLIDTF-UHFFFAOYSA-N -1 1 310.463 3.982 20 0 DHADMM CCC(C)(C)CCSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000436203717 1025094765 /nfs/dbraw/zinc/09/47/65/1025094765.db2.gz PIJZGUDKJLIDTF-UHFFFAOYSA-N -1 1 310.463 3.982 20 0 DHADMM CC[C@H](C)[C@@H]([N-]C(=O)C(F)(F)Cc1ccccc1)C(F)(F)F ZINC000793970544 1025200235 /nfs/dbraw/zinc/20/02/35/1025200235.db2.gz BTRQBAPWZWYJKM-CMPLNLGQSA-N -1 1 323.305 3.958 20 0 DHADMM CSCCO[N-]C(=O)[C@@H](C)c1c(Cl)cccc1Cl ZINC000794194433 1025233730 /nfs/dbraw/zinc/23/37/30/1025233730.db2.gz DITLDDPTINKHKQ-QMMMGPOBSA-N -1 1 308.230 3.508 20 0 DHADMM CSCCO[N-]C(=O)[C@H](C)c1c(Cl)cccc1Cl ZINC000794194432 1025234843 /nfs/dbraw/zinc/23/48/43/1025234843.db2.gz DITLDDPTINKHKQ-MRVPVSSYSA-N -1 1 308.230 3.508 20 0 DHADMM CC1CCC(OCC(=O)Nc2cc(F)c([O-])cc2Cl)CC1 ZINC000885677900 1025377510 /nfs/dbraw/zinc/37/75/10/1025377510.db2.gz CIASDLUJBVHFDC-UHFFFAOYSA-N -1 1 315.772 3.719 20 0 DHADMM Cc1ncc(C(=O)Nc2cc(F)c([O-])cc2Cl)c(C(C)C)n1 ZINC000885676271 1025378951 /nfs/dbraw/zinc/37/89/51/1025378951.db2.gz LJCICKWUOMIOAA-UHFFFAOYSA-N -1 1 323.755 3.659 20 0 DHADMM CCCCC[C@H](C)CC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129759876 1025410127 /nfs/dbraw/zinc/41/01/27/1025410127.db2.gz UYIOEYKHJADBSL-LBPRGKRZSA-N -1 1 305.422 3.606 20 0 DHADMM CC1(C)CCCC[C@H]1CC(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001129759441 1025410373 /nfs/dbraw/zinc/41/03/73/1025410373.db2.gz NPLUPRKOXOMOEE-LBPRGKRZSA-N -1 1 317.433 3.606 20 0 DHADMM Cc1nc(CNCc2cccc3ccccc32)sc1C(=O)[O-] ZINC000426677702 1025451680 /nfs/dbraw/zinc/45/16/80/1025451680.db2.gz NTDMHVBCOFCWDR-UHFFFAOYSA-N -1 1 312.394 3.593 20 0 DHADMM C[C@]1(CNC(=O)c2c(F)ccc([O-])c2F)C[C@H]1c1ccccc1 ZINC000355033688 1025585708 /nfs/dbraw/zinc/58/57/08/1025585708.db2.gz XGHSHLYZPRVUPY-KPZWWZAWSA-N -1 1 317.335 3.594 20 0 DHADMM Cc1ccc(O)c(C[N@H+](C)[C@H](c2ccccc2)c2ccccn2)n1 ZINC000130924990 1025674075 /nfs/dbraw/zinc/67/40/75/1025674075.db2.gz GUNBSGNXZOWFKT-HXUWFJFHSA-N -1 1 319.408 3.712 20 0 DHADMM COc1ccc(Nc2c(Cl)ccc([O-])c2Cl)c(CO)c1 ZINC001211745464 1025762887 /nfs/dbraw/zinc/76/28/87/1025762887.db2.gz ZMVLTLUMPWTUAM-UHFFFAOYSA-N -1 1 314.168 3.944 20 0 DHADMM Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)c1cncc([O-])c1 ZINC000355569127 1025768773 /nfs/dbraw/zinc/76/87/73/1025768773.db2.gz PFVFQMOVCXCURQ-AWEZNQCLSA-N -1 1 324.302 3.519 20 0 DHADMM O=C(NCCCc1ccc(O)cc1)c1cc2ccccc2cc1[O-] ZINC000261436039 1025807045 /nfs/dbraw/zinc/80/70/45/1025807045.db2.gz LKZNGDXTFPCGEA-UHFFFAOYSA-N -1 1 321.376 3.614 20 0 DHADMM O=C(N[C@H]1COc2c1cccc2Cl)c1c([O-])cccc1Cl ZINC000758345730 1025834428 /nfs/dbraw/zinc/83/44/28/1025834428.db2.gz KZZNGHJKBQGYLL-NSHDSACASA-N -1 1 324.163 3.563 20 0 DHADMM Cc1nocc1C(=O)[N-]c1cc(F)ccc1SCC(F)F ZINC001126370622 1026006912 /nfs/dbraw/zinc/00/69/12/1026006912.db2.gz MQRQUZCQTMJVSR-UHFFFAOYSA-N -1 1 316.304 3.732 20 0 DHADMM O=S(=O)(CC1CCC1)[N-]c1ccccc1OC1CCCC1 ZINC000092862391 1026037846 /nfs/dbraw/zinc/03/78/46/1026037846.db2.gz PBJJCTBAYLOTKL-UHFFFAOYSA-N -1 1 309.431 3.550 20 0 DHADMM C[C@@H]1CN(Cc2ccc(C(=O)[O-])c(Cl)c2)C[C@@H](C)C1(F)F ZINC000629363157 1026042681 /nfs/dbraw/zinc/04/26/81/1026042681.db2.gz BMRRAJZOXDHACA-NXEZZACHSA-N -1 1 317.763 3.761 20 0 DHADMM CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc([O-])c(Cl)c2)CCO1 ZINC000513744834 1026946585 /nfs/dbraw/zinc/94/65/85/1026946585.db2.gz QELXNMVWHWKJJJ-ABAIWWIYSA-N -1 1 311.809 3.825 20 0 DHADMM COc1ccc2cc([C@H](C)C(=O)[N-]OC/C=C\Cl)ccc2c1 ZINC000812403424 1027262513 /nfs/dbraw/zinc/26/25/13/1027262513.db2.gz RLPVJDGBZQGQDJ-KJPDOOANSA-N -1 1 319.788 3.752 20 0 DHADMM CC(=O)c1ccc(C(=O)[N-]c2c(F)cc(Cl)c(C)c2F)o1 ZINC000362824347 1027402237 /nfs/dbraw/zinc/40/22/37/1027402237.db2.gz AVDJAMIDXZJUGK-UHFFFAOYSA-N -1 1 313.687 3.975 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@@](F)(c2ccccc2)C1 ZINC000575763894 1027498148 /nfs/dbraw/zinc/49/81/48/1027498148.db2.gz BVBHQHBHLIVICA-KRWDZBQOSA-N -1 1 319.763 3.757 20 0 DHADMM O=S(=O)([N-]c1ccc(F)cc1)c1cccc(C(F)F)c1 ZINC000780363249 1027776006 /nfs/dbraw/zinc/77/60/06/1027776006.db2.gz NLDQVRQPIBWQBM-UHFFFAOYSA-N -1 1 301.289 3.564 20 0 DHADMM Cc1cc(CN(Cc2ccco2)C2CCCC2)oc1C(=O)[O-] ZINC000563279281 1027973533 /nfs/dbraw/zinc/97/35/33/1027973533.db2.gz REAZJTZRRWVDNR-UHFFFAOYSA-N -1 1 303.358 3.824 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCCC[C@H]1c1cc[nH]n1 ZINC000367659796 1028223083 /nfs/dbraw/zinc/22/30/83/1028223083.db2.gz UYEOPRDGRNHOPB-KRWDZBQOSA-N -1 1 321.380 3.636 20 0 DHADMM O=C([O-])c1ccc2c(c1)CN(Cc1ccc(C(F)F)cc1)CC2 ZINC000579603729 1028447678 /nfs/dbraw/zinc/44/76/78/1028447678.db2.gz KBVSNGVFNAAFMI-UHFFFAOYSA-N -1 1 317.335 3.881 20 0 DHADMM CC[C@@H](C)CN(CC)c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000565709658 1028622785 /nfs/dbraw/zinc/62/27/85/1028622785.db2.gz HYYSPGADFARTLV-GFCCVEGCSA-N -1 1 314.433 3.733 20 0 DHADMM CO[C@H](CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1)C1CC1 ZINC000567351443 1028880532 /nfs/dbraw/zinc/88/05/32/1028880532.db2.gz OBTCTQSSBRGEMP-CQSZACIVSA-N -1 1 316.426 3.675 20 0 DHADMM COC(=O)CCc1cccc(NCc2cccc([O-])c2Cl)c1 ZINC000816588655 1028939314 /nfs/dbraw/zinc/93/93/14/1028939314.db2.gz UQVMJQRDZKRHQO-UHFFFAOYSA-N -1 1 319.788 3.763 20 0 DHADMM CC(C)c1ocnc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000779326954 1029089172 /nfs/dbraw/zinc/08/91/72/1029089172.db2.gz JNOAGRCICZKNOL-UHFFFAOYSA-N -1 1 320.399 3.630 20 0 DHADMM CC(C)(COCc1ccccc1)C(=O)Nc1cccc(F)c1[O-] ZINC000628960015 1029195997 /nfs/dbraw/zinc/19/59/97/1029195997.db2.gz PZZHNSQEDHBKNW-UHFFFAOYSA-N -1 1 317.360 3.713 20 0 DHADMM O=C(Nc1cccc(F)c1[O-])C1(C(F)(F)F)CCCCC1 ZINC000628959969 1029196539 /nfs/dbraw/zinc/19/65/39/1029196539.db2.gz GWCONVUUUYJYLP-UHFFFAOYSA-N -1 1 305.271 3.983 20 0 DHADMM CCOc1cc(C(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)cc(Cl)c1[O-] ZINC000629051341 1029221855 /nfs/dbraw/zinc/22/18/55/1029221855.db2.gz DRKMDJILOHOKGN-DPIQGUFMSA-N -1 1 323.820 3.610 20 0 DHADMM COc1ccc(CSc2nc(C(F)F)cc(=O)[n-]2)cc1C ZINC000629183149 1029267365 /nfs/dbraw/zinc/26/73/65/1029267365.db2.gz ILUMOWUKUZJXPY-UHFFFAOYSA-N -1 1 312.341 3.729 20 0 DHADMM CN(Cc1c(F)cccc1F)C(=O)c1c([O-])cccc1Cl ZINC000818546155 1029410310 /nfs/dbraw/zinc/41/03/10/1029410310.db2.gz WAVARRBQGBRDTO-UHFFFAOYSA-N -1 1 311.715 3.596 20 0 DHADMM [O-]c1ccc(Cl)c(F)c1CNc1cccc(-n2ccnc2)c1 ZINC000191400511 1029422815 /nfs/dbraw/zinc/42/28/15/1029422815.db2.gz QJRYAHITJZRHRG-UHFFFAOYSA-N -1 1 317.751 3.983 20 0 DHADMM CCOc1ccc(N(CC)C(=O)c2ccc([O-])cc2F)cc1 ZINC001136169826 1029440450 /nfs/dbraw/zinc/44/04/50/1029440450.db2.gz BVLFRCVWRFRZKW-UHFFFAOYSA-N -1 1 303.333 3.597 20 0 DHADMM CC[C@H](CCc1ccccc1)NC(=O)c1ccc([O-])cc1F ZINC000529799701 1029579013 /nfs/dbraw/zinc/57/90/13/1029579013.db2.gz MYBRSGDKUSKGES-CQSZACIVSA-N -1 1 301.361 3.673 20 0 DHADMM CC(C)c1ccc(-c2nc(CN(C)CCC(=O)[O-])cs2)cc1 ZINC000262676283 1029590494 /nfs/dbraw/zinc/59/04/94/1029590494.db2.gz UFGQKIZRMMTAKT-UHFFFAOYSA-N -1 1 318.442 3.840 20 0 DHADMM C[C@@H]1C[C@@H](CC(=O)Nc2n[n-]c(C(F)(F)F)n2)CC(C)(C)C1 ZINC000303133972 1029593047 /nfs/dbraw/zinc/59/30/47/1029593047.db2.gz CLCVKLSTHXEHGV-BDAKNGLRSA-N -1 1 318.343 3.615 20 0 DHADMM C[C@@H]1CC(F)(F)CCN1Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000530171537 1029771422 /nfs/dbraw/zinc/77/14/22/1029771422.db2.gz BNSLCCCSDNBCLY-SECBINFHSA-N -1 1 303.736 3.658 20 0 DHADMM [O-]c1ccc(F)cc1-c1nc(-c2cnc3ccccc3c2)no1 ZINC000391944269 1029790321 /nfs/dbraw/zinc/79/03/21/1029790321.db2.gz BYCOEHUQVXUSIT-UHFFFAOYSA-N -1 1 307.284 3.797 20 0 DHADMM COc1cnc(C=Cc2cccc(OC3CCCC3)c2)[n-]c1=O ZINC000821007359 1029804245 /nfs/dbraw/zinc/80/42/45/1029804245.db2.gz HJSWAPCPGJMKKG-KTKRTIGZSA-N -1 1 312.369 3.683 20 0 DHADMM COc1ccc(C=Cc2ncc(OC)c(=O)[n-]2)c2ccccc12 ZINC000821012764 1029805720 /nfs/dbraw/zinc/80/57/20/1029805720.db2.gz OAJFTXOUTCTQSC-NTMALXAHSA-N -1 1 308.337 3.523 20 0 DHADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(C(F)F)c2)c1 ZINC000122127844 1029985009 /nfs/dbraw/zinc/98/50/09/1029985009.db2.gz ZQFZOBCCULJISV-UHFFFAOYSA-N -1 1 320.295 3.541 20 0 DHADMM Cc1nnc(C(=O)[N-]c2ccccc2SC(F)(F)F)s1 ZINC001136576122 1030004924 /nfs/dbraw/zinc/00/49/24/1030004924.db2.gz YCWSMHIEASZJAA-UHFFFAOYSA-N -1 1 319.333 3.711 20 0 DHADMM O=c1nc(N[C@H]2C[C@H](Sc3ccccc3)C2)cc(Cl)[n-]1 ZINC000866101242 1030127997 /nfs/dbraw/zinc/12/79/97/1030127997.db2.gz JBKPKRWMEVKXGE-HOMQSWHASA-N -1 1 307.806 3.571 20 0 DHADMM O=S(=O)(Cc1ccccc1Cl)[N-]c1cc(C2CC2)ccn1 ZINC000290875735 1030232554 /nfs/dbraw/zinc/23/25/54/1030232554.db2.gz BKGXVUDDKVGJPQ-UHFFFAOYSA-N -1 1 322.817 3.554 20 0 DHADMM COc1ccc(C(=O)N(C)c2ccc3ccccc3c2)c([O-])c1 ZINC000121646440 1030454071 /nfs/dbraw/zinc/45/40/71/1030454071.db2.gz AYBSNXFOUBGISB-UHFFFAOYSA-N -1 1 307.349 3.831 20 0 DHADMM Cc1cc(C[N-]C(=O)C(F)(F)F)cc(NCC(C)(C)C)c1 ZINC000825011151 1030697311 /nfs/dbraw/zinc/69/73/11/1030697311.db2.gz DEBAXQGQCHGDKA-UHFFFAOYSA-N -1 1 302.340 3.632 20 0 DHADMM Cc1nn(C(C)C)c(C)c1CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000292001097 1030751448 /nfs/dbraw/zinc/75/14/48/1030751448.db2.gz BROOEAGNMPFGHW-UHFFFAOYSA-N -1 1 321.808 3.621 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CC2(CCC2)[C@@H]1C1CC1 ZINC000292009956 1030755256 /nfs/dbraw/zinc/75/52/56/1030755256.db2.gz YNHFMRINZQVPEA-SFHVURJKSA-N -1 1 307.393 3.950 20 0 DHADMM CCc1ccc([C@H](C)C(=O)[N-]OCCCC(F)(F)F)cc1 ZINC000871210866 1031161119 /nfs/dbraw/zinc/16/11/19/1031161119.db2.gz CONOXHVKEGFNEB-NSHDSACASA-N -1 1 303.324 3.743 20 0 DHADMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc(C(F)(F)F)ccc1F ZINC000263319963 1031182645 /nfs/dbraw/zinc/18/26/45/1031182645.db2.gz JIPMCGXQGCPOIK-VHSXEESVSA-N -1 1 319.298 3.530 20 0 DHADMM Cc1cc(NC2CCC(C(=O)[O-])CC2)c2cc(F)ccc2n1 ZINC000263553120 1031205269 /nfs/dbraw/zinc/20/52/69/1031205269.db2.gz MJCGKZCCIQTHKB-UHFFFAOYSA-N -1 1 302.349 3.738 20 0 DHADMM CC(C)(C)CCC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000130318649 1031248651 /nfs/dbraw/zinc/24/86/51/1031248651.db2.gz ORJUHXSGTAXSIJ-UHFFFAOYSA-N -1 1 317.429 3.640 20 0 DHADMM CC(C)CN(Cc1ccccn1)C(=O)c1ccc(Cl)cc1[O-] ZINC000928740189 1031370818 /nfs/dbraw/zinc/37/08/18/1031370818.db2.gz QDYLJJBJDHWZMO-UHFFFAOYSA-N -1 1 318.804 3.739 20 0 DHADMM Cc1noc(C(C)C)c1[N-]C(=O)c1csc([C@H]2CCCO2)n1 ZINC000928785717 1031381446 /nfs/dbraw/zinc/38/14/46/1031381446.db2.gz GLZPGOXOWKWTCU-LLVKDONJSA-N -1 1 321.402 3.667 20 0 DHADMM C[C@]1(C(=O)Nc2cccc(C(F)(F)F)c2[O-])C[C@@H]2C=C[C@H]1C2 ZINC001144283976 1031424626 /nfs/dbraw/zinc/42/46/26/1031424626.db2.gz IPDZNMJDBBWSDZ-FTGAXOIBSA-N -1 1 311.303 3.952 20 0 DHADMM Cc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2F)c1F ZINC000537196412 1031528065 /nfs/dbraw/zinc/52/80/65/1031528065.db2.gz OITDXHRHSKKCGH-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM COc1ccc(C2CC2)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000872414931 1031602332 /nfs/dbraw/zinc/60/23/32/1031602332.db2.gz VAVZBBRAQWZIGO-UHFFFAOYSA-N -1 1 321.373 3.513 20 0 DHADMM Cc1c([N-]S(=O)(=O)c2cccc(C(C)C)c2)[nH]nc1C1CC1 ZINC000760318318 1031658190 /nfs/dbraw/zinc/65/81/90/1031658190.db2.gz BHQOKOPZSVDJGH-UHFFFAOYSA-N -1 1 319.430 3.520 20 0 DHADMM Cc1cnc(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)c([O-])c1 ZINC001144623835 1031771022 /nfs/dbraw/zinc/77/10/22/1031771022.db2.gz SZIXCVILONJNKA-MRXNPFEDSA-N -1 1 314.360 3.506 20 0 DHADMM Cc1cc([C@H]2CCCN2C(=O)c2cc3ccccc3cc2[O-])no1 ZINC000361224318 1031796702 /nfs/dbraw/zinc/79/67/02/1031796702.db2.gz RXPCWCSWXPILJI-QGZVFWFLSA-N -1 1 322.364 3.819 20 0 DHADMM [O-]c1cc(F)c(CN2CC=C(c3ccccc3)CC2)cc1F ZINC001144658451 1031812234 /nfs/dbraw/zinc/81/22/34/1031812234.db2.gz WWQGEIHTYQSNME-UHFFFAOYSA-N -1 1 301.336 3.960 20 0 DHADMM CCc1ccccc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000479493625 1033780997 /nfs/dbraw/zinc/78/09/97/1033780997.db2.gz ZHIWPQHSNLLDFG-UHFFFAOYSA-N -1 1 318.423 3.660 20 0 DHADMM Cc1coc2ccc([N-]S(=O)(=O)c3ccccc3C)cc12 ZINC000479571208 1033822144 /nfs/dbraw/zinc/82/21/44/1033822144.db2.gz RMDAMMUVHKIJDR-UHFFFAOYSA-N -1 1 301.367 3.850 20 0 DHADMM Cc1c(C)c(C)c(CS(=O)(=O)c2ccc([O-])cc2)c(C)c1C ZINC000479997070 1034005633 /nfs/dbraw/zinc/00/56/33/1034005633.db2.gz RCKVWYSLRDTVJL-UHFFFAOYSA-N -1 1 318.438 3.908 20 0 DHADMM Cc1cc(CSc2nc(C)c(C)c(=O)[n-]2)c2ccccc2n1 ZINC000554185378 1034013068 /nfs/dbraw/zinc/01/30/68/1034013068.db2.gz MZQWASHQZJILOL-UHFFFAOYSA-N -1 1 311.410 3.948 20 0 DHADMM CS(=O)(=O)c1ccccc1[N-]c1nc2cc(Cl)ccc2o1 ZINC001173986183 1034019430 /nfs/dbraw/zinc/01/94/30/1034019430.db2.gz QAPUPODTIDBXQN-UHFFFAOYSA-N -1 1 322.773 3.628 20 0 DHADMM Cc1ccc(O)cc1[N-]S(=O)(=O)c1ccccc1C(C)(C)C ZINC000863426119 1034095495 /nfs/dbraw/zinc/09/54/95/1034095495.db2.gz YEJOMXUPIYGCAW-UHFFFAOYSA-N -1 1 319.426 3.799 20 0 DHADMM [O-]c1c(F)c(F)ccc1Nc1cnn(Cc2ccccc2)c1 ZINC001174133886 1034158963 /nfs/dbraw/zinc/15/89/63/1034158963.db2.gz AVWIQVMPLDRYCR-UHFFFAOYSA-N -1 1 301.296 3.659 20 0 DHADMM CSCCCSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000185051468 1034525244 /nfs/dbraw/zinc/52/52/44/1034525244.db2.gz ZLYUPDKIRZXACA-UHFFFAOYSA-N -1 1 306.456 3.591 20 0 DHADMM COc1c(F)ccc(F)c1Nc1cc2ccc([O-])cc2oc1=O ZINC001174661254 1034558888 /nfs/dbraw/zinc/55/88/88/1034558888.db2.gz HAOVWFACQJJHBZ-UHFFFAOYSA-N -1 1 319.263 3.529 20 0 DHADMM Cc1nc(SCc2ncc(C(C)C)o2)[n-]c(=O)c1C1CC1 ZINC000865373023 1034613491 /nfs/dbraw/zinc/61/34/91/1034613491.db2.gz CEPXOHHGQAHKSX-UHFFFAOYSA-N -1 1 305.403 3.772 20 0 DHADMM Cc1nc(SCC[C@@H](O)c2ccccc2)[n-]c(=O)c1C1CC1 ZINC000865373280 1034614511 /nfs/dbraw/zinc/61/45/11/1034614511.db2.gz MWMMOCJXFUMSJB-CQSZACIVSA-N -1 1 316.426 3.584 20 0 DHADMM Cc1cc(Nc2cc(Br)cc(Cl)c2[O-])n(C)n1 ZINC001174830867 1034625793 /nfs/dbraw/zinc/62/57/93/1034625793.db2.gz NAASGZBRZAYINU-UHFFFAOYSA-N -1 1 316.586 3.594 20 0 DHADMM CCOc1cc(C(=O)N([C@@H](C)C2CC2)C2CC2)cc(Cl)c1[O-] ZINC000186594802 1034647646 /nfs/dbraw/zinc/64/76/46/1034647646.db2.gz YYBMZZSGXPOBTB-JTQLQIEISA-N -1 1 323.820 3.847 20 0 DHADMM COc1c(C)cc(Nc2cc3ccc([O-])cc3oc2=O)cc1C ZINC001174997036 1034723945 /nfs/dbraw/zinc/72/39/45/1034723945.db2.gz AMPSINONNKQSGZ-UHFFFAOYSA-N -1 1 311.337 3.868 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2ccccc2N)c2ccccc12 ZINC001174988476 1034749050 /nfs/dbraw/zinc/74/90/50/1034749050.db2.gz WFZKQCLTEVVXOM-UHFFFAOYSA-N -1 1 312.394 3.531 20 0 DHADMM CCOC(=O)c1c(C)nsc1[N-]c1c(F)ccc(F)c1F ZINC001175027008 1034757766 /nfs/dbraw/zinc/75/77/66/1034757766.db2.gz ZEVSJILPPIQNES-UHFFFAOYSA-N -1 1 316.304 3.789 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H]1CCC(C)(C)C[C@H]1C ZINC000843812895 1034865438 /nfs/dbraw/zinc/86/54/38/1034865438.db2.gz PNUUCNLYBXXIHB-YPMHNXCESA-N -1 1 319.449 3.559 20 0 DHADMM O=C(c1ccc(C(F)(F)F)cc1[O-])N(CC(F)F)C1CCC1 ZINC000899786548 1034894966 /nfs/dbraw/zinc/89/49/66/1034894966.db2.gz YELTXHKOOMWRRR-UHFFFAOYSA-N -1 1 323.261 3.671 20 0 DHADMM COc1ncc([N-]c2cc(-c3ccc(F)c(F)c3)no2)s1 ZINC001175387518 1034964581 /nfs/dbraw/zinc/96/45/81/1034964581.db2.gz UOUAWGQVQOXYOP-UHFFFAOYSA-N -1 1 309.297 3.829 20 0 DHADMM O=C([O-])c1cc(Cl)ccc1CN1CCC[C@@H](C(F)(F)F)C1 ZINC001142657194 1035000069 /nfs/dbraw/zinc/00/00/69/1035000069.db2.gz QCZDZFXLSCOGIK-SNVBAGLBSA-N -1 1 321.726 3.813 20 0 DHADMM Cc1cc([N-]S(=O)(=O)c2cc(N)ccc2C)cc(C)c1Cl ZINC001176337392 1035242323 /nfs/dbraw/zinc/24/23/23/1035242323.db2.gz DZJMIDGFLMFZSX-UHFFFAOYSA-N -1 1 324.833 3.648 20 0 DHADMM COC(=O)c1c(C)csc1Nc1c(F)cc(F)c([O-])c1F ZINC001176664616 1035308955 /nfs/dbraw/zinc/30/89/55/1035308955.db2.gz SHOPXCIEWYAKLO-UHFFFAOYSA-N -1 1 317.288 3.710 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2nc(Cl)cnc2Cl)c1F ZINC001176663704 1035309264 /nfs/dbraw/zinc/30/92/64/1035309264.db2.gz HCHLCKOIPLCWPA-UHFFFAOYSA-N -1 1 310.062 3.650 20 0 DHADMM Cc1cc(Nc2c(F)cc(F)c([O-])c2F)n(CC2CCC2)n1 ZINC001176663885 1035309357 /nfs/dbraw/zinc/30/93/57/1035309357.db2.gz ONLBDPVSDSAVDN-UHFFFAOYSA-N -1 1 311.307 3.858 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ccc(OC(F)F)nc2)c1F ZINC001176664920 1035310010 /nfs/dbraw/zinc/31/00/10/1035310010.db2.gz YICKZNIJRNUYCH-UHFFFAOYSA-N -1 1 306.190 3.550 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2c(Cl)cccc2CO)c1F ZINC001176673694 1035311482 /nfs/dbraw/zinc/31/14/82/1035311482.db2.gz WLYCARYMKYDMTK-UHFFFAOYSA-N -1 1 303.667 3.699 20 0 DHADMM COc1ccc(F)c(F)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176672367 1035311920 /nfs/dbraw/zinc/31/19/20/1035311920.db2.gz HZVLXRRVYACSIF-UHFFFAOYSA-N -1 1 305.202 3.840 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cnc3ccc(O)cc3c2)c1F ZINC001176663083 1035318151 /nfs/dbraw/zinc/31/81/51/1035318151.db2.gz AXQVOKZCZQWSNJ-UHFFFAOYSA-N -1 1 306.243 3.807 20 0 DHADMM COc1nscc1[N-]C(=O)c1ccc(SC(F)(F)F)o1 ZINC001176768589 1035329118 /nfs/dbraw/zinc/32/91/18/1035329118.db2.gz DOFQRZKKEOVKFO-UHFFFAOYSA-N -1 1 324.305 3.609 20 0 DHADMM Cc1ccccc1C(C)(C)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001176988850 1035340527 /nfs/dbraw/zinc/34/05/27/1035340527.db2.gz SDICFNSGFDEMLN-UHFFFAOYSA-N -1 1 317.816 3.948 20 0 DHADMM O=C(Nc1cnc2c(ccc(F)c2F)c1)c1cccc([O-])c1F ZINC001177123404 1035349292 /nfs/dbraw/zinc/34/92/92/1035349292.db2.gz ORAJWCPUOVKJOM-UHFFFAOYSA-N -1 1 318.254 3.610 20 0 DHADMM Cc1cccc([C@H](CC(=O)[O-])NCc2nccc3c2CCCC3)c1 ZINC000904045427 1035352047 /nfs/dbraw/zinc/35/20/47/1035352047.db2.gz JGHVFVNGYRNOPZ-SFHVURJKSA-N -1 1 324.424 3.574 20 0 DHADMM C[C@H]1CCC[C@@]1(C)C(=O)Nc1ccc(Br)c([O-])c1 ZINC001325204016 1035368605 /nfs/dbraw/zinc/36/86/05/1035368605.db2.gz OEQKVFDMANDHQR-LKFCYVNXSA-N -1 1 312.207 3.920 20 0 DHADMM O=C(/C=C/c1nccs1)Nc1cccc(C(F)(F)F)c1[O-] ZINC001177523789 1035376750 /nfs/dbraw/zinc/37/67/50/1035376750.db2.gz LXMKCXWIKWIMIQ-SNAWJCMRSA-N -1 1 314.288 3.519 20 0 DHADMM Cc1ccccc1-c1noc(Cc2ccc([O-])c(Cl)c2)n1 ZINC000904565654 1035429418 /nfs/dbraw/zinc/42/94/18/1035429418.db2.gz WLACAIDWSQFIKJ-UHFFFAOYSA-N -1 1 300.745 3.995 20 0 DHADMM O=S(=O)([N-]C[C@H]1CCC=CCCC1)c1ccc(C(F)F)o1 ZINC001213996250 1035439396 /nfs/dbraw/zinc/43/93/96/1035439396.db2.gz QYSINSIEFBHPEY-NSHDSACASA-N -1 1 319.373 3.632 20 0 DHADMM CSc1ccc(CNc2ccc(-n3ccc(=O)[n-]3)cc2)s1 ZINC001179308386 1035473111 /nfs/dbraw/zinc/47/31/11/1035473111.db2.gz PQXMATWNNKBQDH-UHFFFAOYSA-N -1 1 317.439 3.973 20 0 DHADMM Cc1cccnc1/C=C/C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001179660451 1035488089 /nfs/dbraw/zinc/48/80/89/1035488089.db2.gz SGCOKCDVSAWABV-SNAWJCMRSA-N -1 1 306.724 3.540 20 0 DHADMM O=C(Nc1cc(F)c([O-])cc1Cl)c1cccc2cnccc21 ZINC001179660158 1035488406 /nfs/dbraw/zinc/48/84/06/1035488406.db2.gz NCLHCLKBYXQXDA-UHFFFAOYSA-N -1 1 316.719 3.985 20 0 DHADMM CC(C)c1csc(C(=O)[N-]c2c(Cl)cnnc2Cl)n1 ZINC001193501265 1035649695 /nfs/dbraw/zinc/64/96/95/1035649695.db2.gz VFNKMPCSQRBWDV-UHFFFAOYSA-N -1 1 317.201 3.616 20 0 DHADMM C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc([O-])c(F)c1F ZINC001180802866 1035767889 /nfs/dbraw/zinc/76/78/89/1035767889.db2.gz XTKOQGLABJDMGJ-PSASIEDQSA-N -1 1 309.278 3.833 20 0 DHADMM Cc1nc(SCc2ccccc2OC(F)F)[n-]c(=O)c1C ZINC000539616922 1035797366 /nfs/dbraw/zinc/79/73/66/1035797366.db2.gz XUFBEGPJVFTGOW-UHFFFAOYSA-N -1 1 312.341 3.693 20 0 DHADMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2)cc1 ZINC000226511688 1035961151 /nfs/dbraw/zinc/96/11/51/1035961151.db2.gz BEBNVVANZOTSDW-UHFFFAOYSA-N -1 1 324.833 3.833 20 0 DHADMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc3cnoc3c2)c1 ZINC001195158716 1036164702 /nfs/dbraw/zinc/16/47/02/1036164702.db2.gz DOPGXDHNHSJKJP-UHFFFAOYSA-N -1 1 316.382 3.752 20 0 DHADMM Cc1ccc2cccnc2c1NC(=O)c1cc([O-])cnc1Cl ZINC001195309944 1036216928 /nfs/dbraw/zinc/21/69/28/1036216928.db2.gz XOELDSZAFYRIDY-UHFFFAOYSA-N -1 1 313.744 3.550 20 0 DHADMM O=C(Nc1cc2ccccc2cc1O)c1cc([O-])cnc1Cl ZINC001195309247 1036217196 /nfs/dbraw/zinc/21/71/96/1036217196.db2.gz PEHCHGPWLPEFHM-UHFFFAOYSA-N -1 1 314.728 3.552 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1cccc(Cc2ccccc2)c1 ZINC001195449344 1036248080 /nfs/dbraw/zinc/24/80/80/1036248080.db2.gz RMEVPQPVNBCFOE-UHFFFAOYSA-N -1 1 314.410 3.720 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1ccc(-c2ccc(F)cc2)cc1 ZINC001195449105 1036248196 /nfs/dbraw/zinc/24/81/96/1036248196.db2.gz FEAZTMIVGNMSBT-UHFFFAOYSA-N -1 1 318.373 3.936 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1ccc(SC(F)(F)F)cc1 ZINC001195484341 1036263910 /nfs/dbraw/zinc/26/39/10/1036263910.db2.gz LYQXOHUYXNTDOW-UHFFFAOYSA-N -1 1 324.349 3.741 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1ccc(OCC2CCCC2)cc1 ZINC001195484426 1036265794 /nfs/dbraw/zinc/26/57/94/1036265794.db2.gz MRRMEVURCCPLTO-UHFFFAOYSA-N -1 1 322.430 3.699 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1cc(Cl)c(Cl)cc1F ZINC001195491457 1036269482 /nfs/dbraw/zinc/26/94/82/1036269482.db2.gz YODDTLXOVHBKIF-UHFFFAOYSA-N -1 1 311.165 3.575 20 0 DHADMM CCN(C(=O)c1ccc2ccc(O)cc2c1[O-])[C@H](C)C(C)C ZINC000908274681 1036371474 /nfs/dbraw/zinc/37/14/74/1036371474.db2.gz XXKIAPSBRMUHQI-GFCCVEGCSA-N -1 1 301.386 3.758 20 0 DHADMM CC[C@@H]1CCC[C@H]1C(=O)Nc1cccc([O-])c1Br ZINC000908707466 1036487522 /nfs/dbraw/zinc/48/75/22/1036487522.db2.gz IGNLPPNJRLAUQX-NXEZZACHSA-N -1 1 312.207 3.920 20 0 DHADMM C[C@H]1CCC[C@H]1CC(=O)Nc1cccc([O-])c1Br ZINC000908711167 1036489714 /nfs/dbraw/zinc/48/97/14/1036489714.db2.gz YTJYRORQZZKLGP-UWVGGRQHSA-N -1 1 312.207 3.920 20 0 DHADMM CC(C(=O)Nc1cccc([O-])c1Br)=C1CCCC1 ZINC000908710104 1036490091 /nfs/dbraw/zinc/49/00/91/1036490091.db2.gz XKIVTKCDRGXOBB-UHFFFAOYSA-N -1 1 310.191 3.984 20 0 DHADMM CCC(C)(CC)C(=O)Nc1cccc([O-])c1Br ZINC000908710459 1036490340 /nfs/dbraw/zinc/49/03/40/1036490340.db2.gz QSZOJLJEUUXDOF-UHFFFAOYSA-N -1 1 300.196 3.920 20 0 DHADMM C[C@H]1C[C@@H]([N-]C(=O)C(F)(F)OCC(F)(F)F)c2ccccc21 ZINC001183194554 1036539683 /nfs/dbraw/zinc/53/96/83/1036539683.db2.gz JYXLIKUWJFYXCX-GZMMTYOYSA-N -1 1 323.261 3.523 20 0 DHADMM CC(=O)Nc1ccc([O-])c(C(=O)N(c2ccccc2)C2CCC2)c1 ZINC000913673415 1036600835 /nfs/dbraw/zinc/60/08/35/1036600835.db2.gz FNVJSPFUHBGCNZ-UHFFFAOYSA-N -1 1 324.380 3.550 20 0 DHADMM CSCCCCCCC(=O)Nc1cc([O-])c(F)cc1F ZINC000909971036 1036724820 /nfs/dbraw/zinc/72/48/20/1036724820.db2.gz CRQBSLJBMKWOOR-UHFFFAOYSA-N -1 1 303.374 3.922 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)c1coc(C2CCCCC2)n1 ZINC000909984852 1036727928 /nfs/dbraw/zinc/72/79/28/1036727928.db2.gz AHVRTKGGZHLBHI-UHFFFAOYSA-N -1 1 322.311 3.958 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000909975388 1036729093 /nfs/dbraw/zinc/72/90/93/1036729093.db2.gz PQSYGNFXJYIXAE-YUMQZZPRSA-N -1 1 323.261 3.978 20 0 DHADMM O=C(Nc1cc([O-])c(F)cc1F)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000909986975 1036733752 /nfs/dbraw/zinc/73/37/52/1036733752.db2.gz FRRCCXAAYZNFRE-BQBZGAKWSA-N -1 1 309.234 3.588 20 0 DHADMM CCCCCCO[C@@H](C)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909987845 1036741685 /nfs/dbraw/zinc/74/16/85/1036741685.db2.gz LDOIPADCLPHVJD-JTQLQIEISA-N -1 1 301.333 3.594 20 0 DHADMM CC(C)CCN(C)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000669945063 1036782334 /nfs/dbraw/zinc/78/23/34/1036782334.db2.gz JGIHLBNFLGOUGI-UHFFFAOYSA-N -1 1 306.793 3.712 20 0 DHADMM [O-]c1c(F)cccc1NC(=S)NCc1ccc(Cl)cc1 ZINC001197580408 1036796051 /nfs/dbraw/zinc/79/60/51/1036796051.db2.gz GCMZNISQAWFABH-UHFFFAOYSA-N -1 1 310.781 3.671 20 0 DHADMM COc1ccc2oc(C)c(C(=O)Nc3c([O-])cccc3F)c2c1 ZINC000089541238 1036921597 /nfs/dbraw/zinc/92/15/97/1036921597.db2.gz LOKKURKHDZCCTH-UHFFFAOYSA-N -1 1 315.300 3.847 20 0 DHADMM CC(C)(C)c1ncc(/C=C/C(=O)Nc2c([O-])cccc2F)s1 ZINC000089541323 1036922192 /nfs/dbraw/zinc/92/21/92/1036922192.db2.gz XUZGBDCMSUZEAP-BQYQJAHWSA-N -1 1 320.389 3.937 20 0 DHADMM CN(C)c1ccc(NC(=S)Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001198759385 1037124624 /nfs/dbraw/zinc/12/46/24/1037124624.db2.gz XXBSGNWQALWLLG-UHFFFAOYSA-N -1 1 323.368 3.545 20 0 DHADMM O=S(=O)([N-]c1cnccc1Cl)c1cc2ccccc2s1 ZINC001185426560 1037135779 /nfs/dbraw/zinc/13/57/79/1037135779.db2.gz QZZRVOHHIKKENL-UHFFFAOYSA-N -1 1 324.814 3.751 20 0 DHADMM O=C(Nc1cccc(C(F)(F)F)c1[O-])c1ccc2c(c1)COC2 ZINC001198868402 1037155094 /nfs/dbraw/zinc/15/50/94/1037155094.db2.gz BGPUFIUHPXYFIJ-UHFFFAOYSA-N -1 1 323.270 3.694 20 0 DHADMM O=C(Nc1ccc2c(c1)CCC2)Nc1ccc([O-])c(F)c1F ZINC001185757543 1037228609 /nfs/dbraw/zinc/22/86/09/1037228609.db2.gz ACWLXAWFXGANBE-UHFFFAOYSA-N -1 1 304.296 3.803 20 0 DHADMM O=C(Nc1ccc2c(c1)CCC2)Nc1c(F)cc([O-])cc1F ZINC001185766703 1037230807 /nfs/dbraw/zinc/23/08/07/1037230807.db2.gz YMASKEXOLLAVGN-UHFFFAOYSA-N -1 1 304.296 3.803 20 0 DHADMM COc1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1OC ZINC000026521029 1037231152 /nfs/dbraw/zinc/23/11/52/1037231152.db2.gz BOPXEZJJQDEGHW-UHFFFAOYSA-N -1 1 323.348 3.815 20 0 DHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(F)c(C2CC2)c1 ZINC001185837061 1037245844 /nfs/dbraw/zinc/24/58/44/1037245844.db2.gz SHMDVCQTIWFVFA-UHFFFAOYSA-N -1 1 323.364 3.951 20 0 DHADMM O=C(NCc1cc2cc(Cl)ccc2[nH]1)c1ccc([O-])c(F)c1 ZINC001186237572 1037342696 /nfs/dbraw/zinc/34/26/96/1037342696.db2.gz SQIILJVITNGRSE-UHFFFAOYSA-N -1 1 318.735 3.596 20 0 DHADMM O=C(Nc1ccccc1-c1nccs1)c1ccc([O-])cc1F ZINC001186337899 1037376256 /nfs/dbraw/zinc/37/62/56/1037376256.db2.gz ZRYLMZRGPABOJF-UHFFFAOYSA-N -1 1 314.341 3.907 20 0 DHADMM COc1cc(C(=O)N2CC=CC23CCCCC3)cc(Cl)c1[O-] ZINC000912477647 1037408924 /nfs/dbraw/zinc/40/89/24/1037408924.db2.gz KDMCFMRLTBEYLB-UHFFFAOYSA-N -1 1 321.804 3.769 20 0 DHADMM CCC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1F ZINC001186565460 1037442494 /nfs/dbraw/zinc/44/24/94/1037442494.db2.gz FDWMPZRRKRTXFQ-AAEUAGOBSA-N -1 1 317.401 3.602 20 0 DHADMM COCc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000055595351 1037443321 /nfs/dbraw/zinc/44/33/21/1037443321.db2.gz FJQUYIQUKZPVFS-UHFFFAOYSA-N -1 1 319.426 3.757 20 0 DHADMM CC(C)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(F)F)o2)C1 ZINC001186696708 1037469783 /nfs/dbraw/zinc/46/97/83/1037469783.db2.gz JTNBRZFCSKTFDL-GHMZBOCLSA-N -1 1 321.389 3.710 20 0 DHADMM [O-]c1c(F)cc(F)cc1NC(=S)Nc1ccc(F)cc1F ZINC001200934078 1037470270 /nfs/dbraw/zinc/47/02/70/1037470270.db2.gz AGJIUOUJSVNCDA-UHFFFAOYSA-N -1 1 316.279 3.758 20 0 DHADMM CCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1F ZINC001201244071 1037577946 /nfs/dbraw/zinc/57/79/46/1037577946.db2.gz GLACVLJCSQKWFJ-UHFFFAOYSA-N -1 1 314.209 3.599 20 0 DHADMM CCOC(=O)c1cccc(NCc2cccc([O-])c2Cl)c1 ZINC000328269738 1037751652 /nfs/dbraw/zinc/75/16/52/1037751652.db2.gz WSWNXUUYJXAETR-UHFFFAOYSA-N -1 1 305.761 3.834 20 0 DHADMM CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000184767570 1037754223 /nfs/dbraw/zinc/75/42/23/1037754223.db2.gz QKZCOONMZHUGOF-ABAIWWIYSA-N -1 1 311.809 3.970 20 0 DHADMM COc1ccc2ccc(C(=O)Nc3ccc(F)cc3[O-])cc2c1 ZINC000490646488 1037759014 /nfs/dbraw/zinc/75/90/14/1037759014.db2.gz FXHFBHNXLZNKSZ-UHFFFAOYSA-N -1 1 311.312 3.945 20 0 DHADMM Cc1cccc(N2CCN(Cc3cccc([O-])c3Cl)CC2)c1 ZINC000328316174 1037782663 /nfs/dbraw/zinc/78/26/63/1037782663.db2.gz CMUMGGIFDCOBBJ-UHFFFAOYSA-N -1 1 316.832 3.676 20 0 DHADMM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2SC)cc1 ZINC000185333137 1037795567 /nfs/dbraw/zinc/79/55/67/1037795567.db2.gz UOZPUPPATLGACO-UHFFFAOYSA-N -1 1 323.439 3.526 20 0 DHADMM CCCC[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)C1CCC1 ZINC001188239170 1037845613 /nfs/dbraw/zinc/84/56/13/1037845613.db2.gz OWHLLGKGQXXCGH-ZDUSSCGKSA-N -1 1 317.401 3.602 20 0 DHADMM CSc1cc(C)nc(SC)c1[N-]C(=O)c1cnccc1C ZINC001188223570 1037852600 /nfs/dbraw/zinc/85/26/00/1037852600.db2.gz HXAISGFYKRREOU-UHFFFAOYSA-N -1 1 319.455 3.790 20 0 DHADMM Cc1ccnc2cc(NC(=O)c3ncc(C(F)(F)F)[n-]3)ccc12 ZINC001188289373 1037855746 /nfs/dbraw/zinc/85/57/46/1037855746.db2.gz UOQGTHVGZAOAII-UHFFFAOYSA-N -1 1 320.274 3.537 20 0 DHADMM Cc1ccnc2cc(NC(=O)c3nc(C(F)(F)F)c[n-]3)ccc12 ZINC001188289373 1037855771 /nfs/dbraw/zinc/85/57/71/1037855771.db2.gz UOQGTHVGZAOAII-UHFFFAOYSA-N -1 1 320.274 3.537 20 0 DHADMM COc1ccc(NC(=O)Nc2cccc([O-])c2Cl)cc1OC ZINC001188800171 1037991059 /nfs/dbraw/zinc/99/10/59/1037991059.db2.gz DIYJIHYWCOUEFR-UHFFFAOYSA-N -1 1 322.748 3.707 20 0 DHADMM COc1ccc(-c2ccccc2)cc1[N-]S(=O)(=O)CC1CC1 ZINC001188927435 1038009287 /nfs/dbraw/zinc/00/92/87/1038009287.db2.gz VQCJUPDULXAKBS-UHFFFAOYSA-N -1 1 317.410 3.514 20 0 DHADMM Cc1ccccc1Oc1ccccc1[N-]S(=O)(=O)CC1CC1 ZINC001188963075 1038025999 /nfs/dbraw/zinc/02/59/99/1038025999.db2.gz DAPZGESFKYFFIM-UHFFFAOYSA-N -1 1 317.410 3.939 20 0 DHADMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)c1 ZINC000126139922 1038037640 /nfs/dbraw/zinc/03/76/40/1038037640.db2.gz WONYOFNJUSAPAJ-UHFFFAOYSA-N -1 1 321.373 3.528 20 0 DHADMM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)C[C@H]1C ZINC001189048190 1038054948 /nfs/dbraw/zinc/05/49/48/1038054948.db2.gz DPPPTZQHVLQKTQ-CKYFFXLPSA-N -1 1 319.829 3.582 20 0 DHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C2CC2)c1 ZINC001189188826 1038083174 /nfs/dbraw/zinc/08/31/74/1038083174.db2.gz PYBXUVBBVSKTJM-UHFFFAOYSA-N -1 1 315.394 3.567 20 0 DHADMM O=C(Nc1nccs1)Nc1cc(Cl)c(Cl)cc1[O-] ZINC001189383665 1038138136 /nfs/dbraw/zinc/13/81/36/1038138136.db2.gz FIJMLDFURWECDK-UHFFFAOYSA-N -1 1 304.158 3.800 20 0 DHADMM Cc1[n-][nH]c(=O)c1NC(=O)CCCCCO[C@@H]1CCC[C@@H](C)C1 ZINC000615223090 1038160093 /nfs/dbraw/zinc/16/00/93/1038160093.db2.gz YCZBDDLEUMVENM-TZMCWYRMSA-N -1 1 323.437 3.518 20 0 DHADMM CC(C)(C)[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC001191240026 1038473165 /nfs/dbraw/zinc/47/31/65/1038473165.db2.gz WREXTGZVJKAFQA-VHSXEESVSA-N -1 1 321.389 3.710 20 0 DHADMM CC(C)(C)[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC001191240024 1038473448 /nfs/dbraw/zinc/47/34/48/1038473448.db2.gz WREXTGZVJKAFQA-NXEZZACHSA-N -1 1 321.389 3.710 20 0 DHADMM COc1cccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)c1 ZINC000589427404 1038484176 /nfs/dbraw/zinc/48/41/76/1038484176.db2.gz WTOBATWTXMZPSG-UHFFFAOYSA-N -1 1 305.399 3.619 20 0 DHADMM O=S(=O)(CC1CCCC1)[N-]c1ncccc1-c1ccccc1 ZINC001191490030 1038508734 /nfs/dbraw/zinc/50/87/34/1038508734.db2.gz OZXCZRCVNRMCNA-UHFFFAOYSA-N -1 1 316.426 3.681 20 0 DHADMM O=S(=O)(CC1CCCC1)[N-]c1cc(Cl)c(Cl)cc1O ZINC001191527290 1038515232 /nfs/dbraw/zinc/51/52/32/1038515232.db2.gz YNKMCLMGGNHDEJ-UHFFFAOYSA-N -1 1 324.229 3.631 20 0 DHADMM CC(C)[C@H](NCc1cccc([O-])c1Cl)C(=O)OC(C)(C)C ZINC000590186289 1038599172 /nfs/dbraw/zinc/59/91/72/1038599172.db2.gz WIIKSBGCJPCDSQ-AWEZNQCLSA-N -1 1 313.825 3.502 20 0 DHADMM O=C(Nc1ccc(OC(F)F)cc1)Nc1c([O-])cccc1F ZINC001192176609 1038604977 /nfs/dbraw/zinc/60/49/77/1038604977.db2.gz PAYFGJVZOZNWCA-UHFFFAOYSA-N -1 1 312.247 3.777 20 0 DHADMM Cc1ccc2c(cccc2NC(=O)c2c(F)ccc([O-])c2F)n1 ZINC001192541430 1038678057 /nfs/dbraw/zinc/67/80/57/1038678057.db2.gz VIXVNEITWJXCRE-UHFFFAOYSA-N -1 1 314.291 3.779 20 0 DHADMM COc1ccc([C@@H](C)N(C)C(=O)c2c(F)ccc([O-])c2F)cc1 ZINC001192535962 1038679709 /nfs/dbraw/zinc/67/97/09/1038679709.db2.gz NNKPJLSVZQOJNO-SNVBAGLBSA-N -1 1 321.323 3.512 20 0 DHADMM Cc1cc(NC(=O)c2c(F)ccc([O-])c2F)cc2scnc21 ZINC001192538702 1038679741 /nfs/dbraw/zinc/67/97/41/1038679741.db2.gz AJRQQOMMSRVBJR-UHFFFAOYSA-N -1 1 320.320 3.841 20 0 DHADMM C[C@H]1C[C@H](NC(=O)c2cc([O-])cc(F)c2F)c2ccccc21 ZINC001192679359 1038690408 /nfs/dbraw/zinc/69/04/08/1038690408.db2.gz SJKFIQTYYPKMQB-VFZGTOFNSA-N -1 1 303.308 3.649 20 0 DHADMM Cc1ccnc2cc(NC(=O)c3cc([O-])cc(F)c3F)ccc12 ZINC001192671235 1038690496 /nfs/dbraw/zinc/69/04/96/1038690496.db2.gz YJYKYFSPEFLAPI-UHFFFAOYSA-N -1 1 314.291 3.779 20 0 DHADMM O=C(c1cc([O-])cc(F)c1F)N1CCC[C@@H]1C1CCCCC1 ZINC001192664963 1038693877 /nfs/dbraw/zinc/69/38/77/1038693877.db2.gz QSVHMNQHZRAOCL-OAHLLOKOSA-N -1 1 309.356 3.855 20 0 DHADMM COc1cccc([C@H](C)NC(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC001192882993 1038711039 /nfs/dbraw/zinc/71/10/39/1038711039.db2.gz QZYBYFVPXPSIRT-JTQLQIEISA-N -1 1 320.776 3.937 20 0 DHADMM COc1cccc([C@H](C)NC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC001192883084 1038711190 /nfs/dbraw/zinc/71/11/90/1038711190.db2.gz WAMZJBNOJULEHE-JTQLQIEISA-N -1 1 320.776 3.937 20 0 DHADMM Cc1cnc(SCC(=O)c2ccc(C(C)(C)C)cc2)[n-]c1=O ZINC000573267571 1038893918 /nfs/dbraw/zinc/89/39/18/1038893918.db2.gz MJPQWYRYIHUVQB-UHFFFAOYSA-N -1 1 316.426 3.763 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc2ncsc2c1 ZINC000171881390 1039651720 /nfs/dbraw/zinc/65/17/20/1039651720.db2.gz FGSAFIHQBZDXNN-UHFFFAOYSA-N -1 1 304.758 3.908 20 0 DHADMM Cc1cccc(-c2ccc(CNC(=O)c3cncc([O-])c3)cc2)c1 ZINC000606534051 1039922052 /nfs/dbraw/zinc/92/20/52/1039922052.db2.gz MWHIFQMRLJXSOK-UHFFFAOYSA-N -1 1 318.376 3.693 20 0 DHADMM C[C@@H](CNC(=O)c1ccc(Br)c([O-])c1)C(C)(C)C ZINC000231346971 1040192397 /nfs/dbraw/zinc/19/23/97/1040192397.db2.gz OVVMOAOQAJCBAN-VIFPVBQESA-N -1 1 314.223 3.567 20 0 DHADMM O=C(Nc1c([O-])cccc1F)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000608366276 1040470781 /nfs/dbraw/zinc/47/07/81/1040470781.db2.gz HPAAXHCKGPAONJ-NXEZZACHSA-N -1 1 307.271 3.552 20 0 DHADMM Cc1c(Cl)cccc1OCC(=O)Nc1c([O-])cccc1F ZINC000608366243 1040470932 /nfs/dbraw/zinc/47/09/32/1040470932.db2.gz PZCYAYQNVXBTOX-UHFFFAOYSA-N -1 1 309.724 3.511 20 0 DHADMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000007050659 1040644687 /nfs/dbraw/zinc/64/46/87/1040644687.db2.gz YXXODKDJDAYYJK-UHFFFAOYSA-N -1 1 313.781 3.842 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)[C@@H]1C[C@]12CCc1ccccc12 ZINC000456791164 1040919163 /nfs/dbraw/zinc/91/91/63/1040919163.db2.gz XJTRVCBHOZFVEC-SGTLLEGYSA-N -1 1 315.319 3.513 20 0 DHADMM Cc1cc(C(=O)Nc2ccc([O-])c(F)c2F)c(C)n1C(C)C ZINC000456793372 1040920611 /nfs/dbraw/zinc/92/06/11/1040920611.db2.gz LXSWBIRGBVSACL-UHFFFAOYSA-N -1 1 308.328 3.922 20 0 DHADMM Cc1ccnc(-c2noc(-c3ccc4ccccc4c3[O-])n2)c1 ZINC000320416019 334998584 /nfs/dbraw/zinc/99/85/84/334998584.db2.gz IQGRKLZHQYGUFN-UHFFFAOYSA-N -1 1 303.321 3.966 20 0 DHADMM Cc1ccc(-c2ccc(CN[C@H](C(=O)[O-])[C@H](C)C3CC3)o2)cc1 ZINC000417642430 335026045 /nfs/dbraw/zinc/02/60/45/335026045.db2.gz VMGQHAFXDJOPHQ-ACJLOTCBSA-N -1 1 313.397 3.844 20 0 DHADMM O=C([O-])[C@@H]1CC12CCN(Cc1cc(Cl)cc(Cl)c1)CC2 ZINC000405366287 335043369 /nfs/dbraw/zinc/04/33/69/335043369.db2.gz UWBYIXCHHOWQCQ-ZDUSSCGKSA-N -1 1 314.212 3.680 20 0 DHADMM Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(Cl)cc2[O-])s1 ZINC000106711977 194245768 /nfs/dbraw/zinc/24/57/68/194245768.db2.gz WOLVGVGTDDWXBT-VIFPVBQESA-N -1 1 324.833 3.952 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H]1[C@@H]1CCCC1=O ZINC000272179765 130005412 /nfs/dbraw/zinc/00/54/12/130005412.db2.gz LHGXKEHEGRQFNH-DOTOQJQBSA-N -1 1 323.392 3.519 20 0 DHADMM O=C(c1ncccc1[O-])N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000275137219 130293151 /nfs/dbraw/zinc/29/31/51/130293151.db2.gz PXXAGTGIMFGSCW-BBWFWOEESA-N -1 1 322.408 3.586 20 0 DHADMM CCN(C(=O)c1ccc([O-])cc1F)[C@H](C)Cc1ccsc1 ZINC000275263216 130300523 /nfs/dbraw/zinc/30/05/23/130300523.db2.gz ZEMHUIWBFISNKW-LLVKDONJSA-N -1 1 307.390 3.686 20 0 DHADMM CC(C)(C)c1cc(-c2nc(-c3ccc([O-])cc3F)no2)no1 ZINC000278281250 130677112 /nfs/dbraw/zinc/67/71/12/130677112.db2.gz WFDWOYIVZCGCSR-UHFFFAOYSA-N -1 1 303.293 3.534 20 0 DHADMM C[C@@H]1C(=O)CC[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)C1(C)C ZINC000288941527 131347043 /nfs/dbraw/zinc/34/70/43/131347043.db2.gz BBQRWXATVIKASP-KOLCDFICSA-N -1 1 318.348 3.690 20 0 DHADMM CC[C@H]1OCCC[C@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000289063604 131355851 /nfs/dbraw/zinc/35/58/51/131355851.db2.gz LTRHLHNRVKGDAJ-DGCLKSJQSA-N -1 1 308.765 3.768 20 0 DHADMM CC(C)[C@@H]1OCC[C@H]1c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000289131964 131360649 /nfs/dbraw/zinc/36/06/49/131360649.db2.gz REYVWEMHEDKEDA-YPMHNXCESA-N -1 1 308.765 3.624 20 0 DHADMM CCC(CC)(NCc1ncc(-c2ccccc2)s1)C(=O)[O-] ZINC000340673533 132141092 /nfs/dbraw/zinc/14/10/92/132141092.db2.gz VYRYVJMWRHEHBO-UHFFFAOYSA-N -1 1 304.415 3.543 20 0 DHADMM CN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1cc(F)c([O-])c(F)c1 ZINC000175926947 332915126 /nfs/dbraw/zinc/91/51/26/332915126.db2.gz XAQXCVHDSCMYCM-AWEZNQCLSA-N -1 1 324.714 3.520 20 0 DHADMM [O-]c1ccc(-c2noc([C@H]3CC34CCSCC4)n2)cc1F ZINC000556411656 331702058 /nfs/dbraw/zinc/70/20/58/331702058.db2.gz MTGKMXZAOMFVQI-SNVBAGLBSA-N -1 1 306.362 3.582 20 0 DHADMM CC[C@H](CSC)N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000091147882 332062240 /nfs/dbraw/zinc/06/22/40/332062240.db2.gz PSLZJERUUPQHMQ-CYBMUJFWSA-N -1 1 303.427 3.759 20 0 DHADMM CC[C@@H](CSC)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000091150439 332062382 /nfs/dbraw/zinc/06/23/82/332062382.db2.gz REMTUIIZYKLVJU-AWEZNQCLSA-N -1 1 303.427 3.759 20 0 DHADMM C[C@@H](CC(=O)c1ccco1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000092600930 332136142 /nfs/dbraw/zinc/13/61/42/332136142.db2.gz IQZJAGXOBSFFSU-LBPRGKRZSA-N -1 1 323.348 3.530 20 0 DHADMM O=C([O-])[C@H](NCc1cc(Cl)ccc1Cl)c1ccsc1 ZINC000426794885 332154502 /nfs/dbraw/zinc/15/45/02/332154502.db2.gz VZVGPTOMOLCSAQ-GFCCVEGCSA-N -1 1 316.209 3.970 20 0 DHADMM O=C([O-])[C@@H](NCc1cc(Cl)ccc1Cl)c1ccsc1 ZINC000426794886 332154509 /nfs/dbraw/zinc/15/45/09/332154509.db2.gz VZVGPTOMOLCSAQ-LBPRGKRZSA-N -1 1 316.209 3.970 20 0 DHADMM Cc1cc(C)cc(CN[C@@H](CC(=O)[O-])c2ccc(F)cc2F)c1 ZINC000426806708 332155717 /nfs/dbraw/zinc/15/57/17/332155717.db2.gz CWSDGUFCKBNSIP-KRWDZBQOSA-N -1 1 319.351 3.887 20 0 DHADMM O=C([O-])[C@H](NCc1ccc(F)cc1Cl)c1cccc(F)c1 ZINC000426825192 332158233 /nfs/dbraw/zinc/15/82/33/332158233.db2.gz LLZVSTCSZXCRBX-CQSZACIVSA-N -1 1 311.715 3.534 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H](C(F)(F)F)C1 ZINC000171982775 332664694 /nfs/dbraw/zinc/66/46/94/332664694.db2.gz SVHPVNSKCROUOY-LBPRGKRZSA-N -1 1 323.314 3.960 20 0 DHADMM Cc1nc(C2CC2)ccc1C(=O)Nc1ccc([O-])c(F)c1F ZINC000580698686 333022765 /nfs/dbraw/zinc/02/27/65/333022765.db2.gz RPZOJEJURHUWTB-UHFFFAOYSA-N -1 1 304.296 3.504 20 0 DHADMM C[C@@H](NC(=O)c1ccc([O-])cc1F)c1nc(C(C)(C)C)cs1 ZINC000181211258 333029803 /nfs/dbraw/zinc/02/98/03/333029803.db2.gz WBJJUBOBUNBNCQ-SECBINFHSA-N -1 1 322.405 3.776 20 0 DHADMM CCNc1ccc(Cl)cc1NC(=O)c1ccc([O-])cc1F ZINC000183188125 333052868 /nfs/dbraw/zinc/05/28/68/333052868.db2.gz XADNKTYISBBZIW-UHFFFAOYSA-N -1 1 308.740 3.869 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CC=C(C(F)(F)F)CC1 ZINC000323376151 333082884 /nfs/dbraw/zinc/08/28/84/333082884.db2.gz FZTKSKOSMDKXLK-UHFFFAOYSA-N -1 1 321.298 3.880 20 0 DHADMM CC(C)c1ccc(CN(C(=O)c2ncccc2[O-])C2CC2)cc1 ZINC000460510792 333098444 /nfs/dbraw/zinc/09/84/44/333098444.db2.gz KUNDUCKWSOVUHI-UHFFFAOYSA-N -1 1 310.397 3.715 20 0 DHADMM CCc1nc(SCCCOc2ccccc2C)[n-]c(=O)c1C ZINC000582073710 333200838 /nfs/dbraw/zinc/20/08/38/333200838.db2.gz NEYFNCDUKUMYAQ-UHFFFAOYSA-N -1 1 318.442 3.923 20 0 DHADMM CC[C@@H](C)Oc1cccc(NC(=O)c2ccc(OC)cc2[O-])c1 ZINC000390380799 333274523 /nfs/dbraw/zinc/27/45/23/333274523.db2.gz BGJOFVVJOCNECI-GFCCVEGCSA-N -1 1 315.369 3.830 20 0 DHADMM [O-]c1ccc(-c2noc([C@H]3C[C@@]34CCc3ccccc34)n2)cc1F ZINC000563342351 333591614 /nfs/dbraw/zinc/59/16/14/333591614.db2.gz AESGJUAESACUNV-AUUYWEPGSA-N -1 1 322.339 3.953 20 0 DHADMM CC[C@@H](C)N(CC(=O)[O-])Cc1ccc(-c2ccc(C)cc2)o1 ZINC000414676210 334066418 /nfs/dbraw/zinc/06/64/18/334066418.db2.gz GUPUOWTUINQUFV-CQSZACIVSA-N -1 1 301.386 3.940 20 0 DHADMM CCC[C@@H]1C[C@H](c2nc(-c3ccc([O-])c(F)c3)no2)CCO1 ZINC000278276735 334094391 /nfs/dbraw/zinc/09/43/91/334094391.db2.gz VWBWAJCHQNTBRX-VXGBXAGGSA-N -1 1 306.337 3.644 20 0 DHADMM COc1ccc(CCC(=O)Nc2ccc([O-])c(Cl)c2)cc1F ZINC000111666311 334352575 /nfs/dbraw/zinc/35/25/75/334352575.db2.gz WYUXLFJLEZMQSQ-UHFFFAOYSA-N -1 1 323.751 3.765 20 0 DHADMM COc1cccc(SCC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000111666085 334352660 /nfs/dbraw/zinc/35/26/60/334352660.db2.gz QPBBORVXGVBOQO-UHFFFAOYSA-N -1 1 323.801 3.785 20 0 DHADMM O=C([O-])[C@@H]1CC12CCN(Cc1ccc(Cl)cc1Cl)CC2 ZINC000049928421 334361028 /nfs/dbraw/zinc/36/10/28/334361028.db2.gz LBDXMWPOLMNGFE-LBPRGKRZSA-N -1 1 314.212 3.680 20 0 DHADMM CCS[C@H]1CCCCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000112039204 334362229 /nfs/dbraw/zinc/36/22/29/334362229.db2.gz DURZNTSDCNXAIG-LBPRGKRZSA-N -1 1 313.850 3.793 20 0 DHADMM CCN(Cc1c[nH]c2ccccc12)C(=O)c1cc(F)ccc1[O-] ZINC000189567713 334900937 /nfs/dbraw/zinc/90/09/37/334900937.db2.gz DRHJOYXZRCRNEX-UHFFFAOYSA-N -1 1 312.344 3.675 20 0 DHADMM Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)c1ncccc1[O-] ZINC000444611020 338476543 /nfs/dbraw/zinc/47/65/43/338476543.db2.gz QOOQEYMGICZMDW-LBPRGKRZSA-N -1 1 324.302 3.519 20 0 DHADMM CN(CCCCc1ccccc1)C(=O)c1c(F)ccc([O-])c1F ZINC000347830752 335531022 /nfs/dbraw/zinc/53/10/22/335531022.db2.gz QOMNHKXCNFXIKQ-UHFFFAOYSA-N -1 1 319.351 3.765 20 0 DHADMM CCCc1nc(C)c(-c2nc(-c3ccc([O-])c(F)c3)no2)s1 ZINC000445469040 338495672 /nfs/dbraw/zinc/49/56/72/338495672.db2.gz ADLBYYQYZXMVHZ-UHFFFAOYSA-N -1 1 319.361 3.966 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3c(F)cccc3Cl)n2)c(F)c1 ZINC000445466012 338495595 /nfs/dbraw/zinc/49/55/95/338495595.db2.gz VRZDDXYAHJMGNV-UHFFFAOYSA-N -1 1 322.698 3.965 20 0 DHADMM Cc1ccc(C[C@H](C)N(C)C(=O)c2cc(F)ccc2[O-])cc1 ZINC000094163151 335721579 /nfs/dbraw/zinc/72/15/79/335721579.db2.gz PZAWLGPLLOVCRU-ZDUSSCGKSA-N -1 1 301.361 3.543 20 0 DHADMM COc1ccc(/C=C/c2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445486419 338496875 /nfs/dbraw/zinc/49/68/75/338496875.db2.gz MOBYXLCMPKFXMT-RUDMXATFSA-N -1 1 312.300 3.760 20 0 DHADMM CN(CCc1ccc(F)cc1)C(=O)c1ccc2ccccc2c1[O-] ZINC000097666532 335871076 /nfs/dbraw/zinc/87/10/76/335871076.db2.gz OGLDVJOKZPMFLB-UHFFFAOYSA-N -1 1 323.367 3.999 20 0 DHADMM C[C@H]1CN(C(=O)c2cc(Cl)ccc2[O-])[C@@H]1c1ccccc1 ZINC000536724440 335871228 /nfs/dbraw/zinc/87/12/28/335871228.db2.gz CHCPISKZXSHSNA-ZBEGNZNMSA-N -1 1 301.773 3.879 20 0 DHADMM COc1ccccc1[C@H]1CC[N@H+](Cc2c(F)ccc(O)c2F)C1 ZINC000351645126 336054799 /nfs/dbraw/zinc/05/47/99/336054799.db2.gz VEOHTRURKLOYBI-LBPRGKRZSA-N -1 1 319.351 3.669 20 0 DHADMM C[C@H]1C[C@H](c2nc(-c3ccc([O-])cc3Cl)no2)CCC1=O ZINC000331636906 336142779 /nfs/dbraw/zinc/14/27/79/336142779.db2.gz IVKBXZSMQXPERF-DTWKUNHWSA-N -1 1 306.749 3.568 20 0 DHADMM Cc1ccc([C@H]2CCCN2C(=O)C(=O)c2ccc([O-])cc2)cc1C ZINC000331872099 336150998 /nfs/dbraw/zinc/15/09/98/336150998.db2.gz JXUIKLFDZRYIKE-GOSISDBHSA-N -1 1 323.392 3.555 20 0 DHADMM Cc1nc([C@@H]2CCCN(Cc3cc(O)cc(F)c3)C2)sc1C ZINC000351997960 336187095 /nfs/dbraw/zinc/18/70/95/336187095.db2.gz WWDYVVMNXNVNPG-CQSZACIVSA-N -1 1 320.433 3.984 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N(Cc1cccs1)C1CC1 ZINC000042354636 336239826 /nfs/dbraw/zinc/23/98/26/336239826.db2.gz XVMBPXMOEZFMFJ-UHFFFAOYSA-N -1 1 307.802 3.912 20 0 DHADMM CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000532621151 336257138 /nfs/dbraw/zinc/25/71/38/336257138.db2.gz FWCDHSDBLFGMAW-LLVKDONJSA-N -1 1 303.333 3.961 20 0 DHADMM Cc1nc(-c2ccc(N3CCC4(CCCC4)C3)nc2)[n-]c(=O)c1C ZINC000301485058 336309762 /nfs/dbraw/zinc/30/97/62/336309762.db2.gz YWHVEKKOUFTMIU-UHFFFAOYSA-N -1 1 324.428 3.632 20 0 DHADMM COc1cc(C(=O)N2CC=C(C(C)(C)C)CC2)cc(Cl)c1[O-] ZINC000443043557 336311238 /nfs/dbraw/zinc/31/12/38/336311238.db2.gz DREBZLWANJQEOO-UHFFFAOYSA-N -1 1 323.820 3.873 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1CCOc2ccc(Cl)cc21 ZINC000353868164 336444797 /nfs/dbraw/zinc/44/47/97/336444797.db2.gz CXXGWVBQJLJOTJ-NSHDSACASA-N -1 1 321.735 3.690 20 0 DHADMM O=C(c1c(F)ccc([O-])c1F)N1CCC[C@]2(CC=CCC2)C1 ZINC000368037378 336836213 /nfs/dbraw/zinc/83/62/13/336836213.db2.gz MIEYKGBKCXWDSB-QGZVFWFLSA-N -1 1 307.340 3.633 20 0 DHADMM O=C([N-]OCC(F)(F)F)C1(Cc2cccs2)CCCCC1 ZINC000377980492 337064651 /nfs/dbraw/zinc/06/46/51/337064651.db2.gz AEZUJIAOYHZTFX-UHFFFAOYSA-N -1 1 321.364 3.851 20 0 DHADMM Cc1cc(C)cc(OCCCSc2ncc(C)c(=O)[n-]2)c1 ZINC000582737338 337127990 /nfs/dbraw/zinc/12/79/90/337127990.db2.gz ZAYKLFSQLLHTHX-UHFFFAOYSA-N -1 1 304.415 3.669 20 0 DHADMM CCOc1cc(C(=O)N2CCC[C@H](C)[C@@H]2C)cc(Cl)c1[O-] ZINC000186832217 337260036 /nfs/dbraw/zinc/26/00/36/337260036.db2.gz JHDGECSIBFEEHF-QWRGUYRKSA-N -1 1 311.809 3.705 20 0 DHADMM CCOc1cc(C(=O)N2CC[C@@H](C)[C@H](C)C2)cc(Cl)c1[O-] ZINC000186981574 337261977 /nfs/dbraw/zinc/26/19/77/337261977.db2.gz QWQFQLKUZJMXHK-GHMZBOCLSA-N -1 1 311.809 3.562 20 0 DHADMM C[C@H](c1ccc(C(=O)[O-])o1)N(C)Cc1ccc(Cl)c(F)c1 ZINC000583758757 337330511 /nfs/dbraw/zinc/33/05/11/337330511.db2.gz VWZVVVMXGKSEDU-SECBINFHSA-N -1 1 311.740 3.963 20 0 DHADMM CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(Cl)cc(C)c1O ZINC000583805674 337335237 /nfs/dbraw/zinc/33/52/37/337335237.db2.gz SQSMBRFJKHOYNK-LLVKDONJSA-N -1 1 305.827 3.674 20 0 DHADMM Cc1nc(C)c([C@H](C)N(C)Cc2ccc(F)cc2C(=O)[O-])s1 ZINC000583877472 337369210 /nfs/dbraw/zinc/36/92/10/337369210.db2.gz LJUVJYKAMMWOHX-JTQLQIEISA-N -1 1 322.405 3.790 20 0 DHADMM CCOc1cc(C(=O)N2C[C@@H]3CCCCC[C@@H]32)cc(Cl)c1[O-] ZINC000359874706 337440237 /nfs/dbraw/zinc/44/02/37/337440237.db2.gz RCPBKYBIZMUWKJ-FZMZJTMJSA-N -1 1 323.820 3.849 20 0 DHADMM Cc1ccc(-c2ccc(CN[C@@H](CC(C)C)C(=O)[O-])o2)cc1 ZINC000262689252 337620569 /nfs/dbraw/zinc/62/05/69/337620569.db2.gz FOMLBWGMEGBYMK-INIZCTEOSA-N -1 1 301.386 3.844 20 0 DHADMM CC[C@H](C)[C@H](NCc1cc(-c2ccc(Cl)cc2)no1)C(=O)[O-] ZINC000263153923 337624946 /nfs/dbraw/zinc/62/49/46/337624946.db2.gz PTWHBQYNIBUZNG-BONVTDFDSA-N -1 1 322.792 3.584 20 0 DHADMM CCCC[C@@H](NCc1ccc(-c2ccc(F)cc2)o1)C(=O)[O-] ZINC000263449757 337629588 /nfs/dbraw/zinc/62/95/88/337629588.db2.gz ZDQPLYPJMMNPHF-OAHLLOKOSA-N -1 1 305.349 3.819 20 0 DHADMM C[C@@H](NC(=O)c1ccc(Br)cc1[O-])c1ccccc1 ZINC000044490183 337809905 /nfs/dbraw/zinc/80/99/05/337809905.db2.gz YHLJVDFIIVSALJ-SNVBAGLBSA-N -1 1 320.186 3.646 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3cc(F)ccc3F)n2)c(Cl)c1 ZINC000445444473 337839100 /nfs/dbraw/zinc/83/91/00/337839100.db2.gz GAXLQONPQNMSSO-UHFFFAOYSA-N -1 1 322.698 3.965 20 0 DHADMM [O-]c1ccc(-c2noc(-c3cccc4n[nH]cc43)n2)c(Cl)c1 ZINC000445446493 337844691 /nfs/dbraw/zinc/84/46/91/337844691.db2.gz LVBFWXMEDZHDHM-UHFFFAOYSA-N -1 1 312.716 3.639 20 0 DHADMM [O-]c1ccc(-c2noc(CCc3ccsc3)n2)c(Cl)c1 ZINC000445447313 337845172 /nfs/dbraw/zinc/84/51/72/337845172.db2.gz OEVCSFBRUMGHCH-UHFFFAOYSA-N -1 1 306.774 3.942 20 0 DHADMM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000057126235 337855205 /nfs/dbraw/zinc/85/52/05/337855205.db2.gz COEDFSLNTULVSL-ZDUSSCGKSA-N -1 1 305.399 3.665 20 0 DHADMM [O-]c1ccc(-c2noc(COc3ccccc3Cl)n2)c(F)c1 ZINC000445454513 338017172 /nfs/dbraw/zinc/01/71/72/338017172.db2.gz LGIDNYJHVIRSHF-UHFFFAOYSA-N -1 1 320.707 3.814 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3cccc4cccnc43)n2)c(F)c1 ZINC000445456752 338017590 /nfs/dbraw/zinc/01/75/90/338017590.db2.gz KEQWHXUSEFCCHJ-UHFFFAOYSA-N -1 1 321.311 3.720 20 0 DHADMM C[C@@H](Oc1ccc(F)cc1)c1nc(-c2ccc([O-])cc2F)no1 ZINC000445457379 338018308 /nfs/dbraw/zinc/01/83/08/338018308.db2.gz YLCWHSUNAAFFBU-SECBINFHSA-N -1 1 318.279 3.860 20 0 DHADMM COc1cccc([C@@H](C)c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445460447 338020444 /nfs/dbraw/zinc/02/04/44/338020444.db2.gz AQAFFKDQQLJUTG-SNVBAGLBSA-N -1 1 314.316 3.742 20 0 DHADMM O=C([O-])C[C@H](NCc1ccc(Cl)cc1F)c1ccsc1 ZINC000426678323 338037902 /nfs/dbraw/zinc/03/79/02/338037902.db2.gz PJXJYZGJUOISIT-ZDUSSCGKSA-N -1 1 313.781 3.846 20 0 DHADMM O=C([O-])C[C@@H](NCc1ccc(F)cc1Cl)c1ccsc1 ZINC000426691927 338038245 /nfs/dbraw/zinc/03/82/45/338038245.db2.gz MVDKEPYMWWOVSO-CYBMUJFWSA-N -1 1 313.781 3.846 20 0 DHADMM C[C@@H](C(=O)[O-])[C@H](NCc1ccsc1Cl)c1ccccc1 ZINC000426753092 338040804 /nfs/dbraw/zinc/04/08/04/338040804.db2.gz GTABETUINHGNPB-MFKMUULPSA-N -1 1 309.818 3.953 20 0 DHADMM Cc1ccc(F)c(CN[C@H](C(=O)[O-])c2cc(C)cc(C)c2)c1 ZINC000426759826 338041164 /nfs/dbraw/zinc/04/11/64/338041164.db2.gz XRBDVZISFJGOBJ-KRWDZBQOSA-N -1 1 301.361 3.666 20 0 DHADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc2sccc2[nH]1 ZINC000430441619 338107251 /nfs/dbraw/zinc/10/72/51/338107251.db2.gz OUSTYYUHJVGSTG-UHFFFAOYSA-N -1 1 324.365 3.577 20 0 DHADMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)s1 ZINC000431149379 338124213 /nfs/dbraw/zinc/12/42/13/338124213.db2.gz BPNNLTUMUBTQFQ-UHFFFAOYSA-N -1 1 321.345 3.583 20 0 DHADMM O=C(Nc1cc(Cl)ccc1O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431734784 338137772 /nfs/dbraw/zinc/13/77/72/338137772.db2.gz XNNASKIOLWVEPA-HNNXBMFYSA-N -1 1 322.836 3.781 20 0 DHADMM COc1ccccc1CN(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000194292573 338157050 /nfs/dbraw/zinc/15/70/50/338157050.db2.gz FNAZCXFEFOFAHP-UHFFFAOYSA-N -1 1 321.376 3.826 20 0 DHADMM CCc1cccc(S(=O)(=O)[N-]c2ccc3scnc3c2)c1 ZINC000433505612 338195925 /nfs/dbraw/zinc/19/59/25/338195925.db2.gz AWISWTSFTMIQOY-UHFFFAOYSA-N -1 1 318.423 3.660 20 0 DHADMM Cn1cc(C(=O)Nc2ccc([O-])c(Cl)c2)c2cc(F)ccc21 ZINC000435762277 338248143 /nfs/dbraw/zinc/24/81/43/338248143.db2.gz ICDOQOMXARCIPL-UHFFFAOYSA-N -1 1 318.735 3.929 20 0 DHADMM CCc1cccc([N-]S(=O)(=O)c2ccccc2SC)c1 ZINC000436017846 338255899 /nfs/dbraw/zinc/25/58/99/338255899.db2.gz ZZIKKBUUFPJRHY-UHFFFAOYSA-N -1 1 307.440 3.772 20 0 DHADMM O=c1cc(C2CC2)nc(SCc2nc3ccc(F)cc3o2)[n-]1 ZINC000436243424 338263291 /nfs/dbraw/zinc/26/32/91/338263291.db2.gz HXSUHBKUZYXYDA-UHFFFAOYSA-N -1 1 317.345 3.632 20 0 DHADMM Cc1ccccc1[C@@]1(F)CCN(C(=O)c2cc(F)ccc2[O-])C1 ZINC000436509869 338274448 /nfs/dbraw/zinc/27/44/48/338274448.db2.gz GFCIUBHWVAXLFQ-GOSISDBHSA-N -1 1 317.335 3.551 20 0 DHADMM Cc1ccccc1[C@]1(F)CCN(C(=O)c2ccc([O-])cc2F)C1 ZINC000436516016 338274844 /nfs/dbraw/zinc/27/48/44/338274844.db2.gz SQYLPVATWZHZTE-SFHVURJKSA-N -1 1 317.335 3.551 20 0 DHADMM Cc1ccc(C(C)(C)CN(C)C(=O)c2c([O-])cccc2F)cc1 ZINC000436519807 338274912 /nfs/dbraw/zinc/27/49/12/338274912.db2.gz YSVLYQDMJAEWFR-UHFFFAOYSA-N -1 1 315.388 3.890 20 0 DHADMM [O-]c1ccc(-c2nc(-c3cccc4ncccc43)no2)c(F)c1 ZINC000436522327 338274994 /nfs/dbraw/zinc/27/49/94/338274994.db2.gz KXQHSLHNSZHBDV-UHFFFAOYSA-N -1 1 307.284 3.797 20 0 DHADMM C[C@H]1CN(C(=O)c2ccc3ccccc3c2[O-])c2ccccc2O1 ZINC000436542129 338276155 /nfs/dbraw/zinc/27/61/55/338276155.db2.gz DLYZAYMKDLDKJJ-ZDUSSCGKSA-N -1 1 319.360 3.973 20 0 DHADMM CC(C)OCc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000436545718 338276471 /nfs/dbraw/zinc/27/64/71/338276471.db2.gz MQNJLBFWHJTOPW-UHFFFAOYSA-N -1 1 303.333 3.709 20 0 DHADMM O=C(Nc1ccc(Oc2ccccn2)cc1)c1cc(F)ccc1[O-] ZINC000436552074 338276722 /nfs/dbraw/zinc/27/67/22/338276722.db2.gz UIULUSHSJKAGNZ-UHFFFAOYSA-N -1 1 324.311 3.971 20 0 DHADMM Cc1ccc(CC[C@H](C)NC(=O)c2cc(Cl)ccc2[O-])o1 ZINC000436566801 338277450 /nfs/dbraw/zinc/27/74/50/338277450.db2.gz MSTCDDACEHFWNZ-JTQLQIEISA-N -1 1 307.777 3.698 20 0 DHADMM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1ccc(Cl)cc1[O-] ZINC000436567254 338277537 /nfs/dbraw/zinc/27/75/37/338277537.db2.gz ZSEAJVIXNKKCKJ-GZMMTYOYSA-N -1 1 321.726 3.849 20 0 DHADMM O=C(c1ccc(Cl)cc1[O-])N(CC1CCC1)CC(F)(F)F ZINC000436574857 338277767 /nfs/dbraw/zinc/27/77/67/338277767.db2.gz GYEHWLAYAUCSJM-UHFFFAOYSA-N -1 1 321.726 3.850 20 0 DHADMM [O-]c1ccc(-c2nc(Cc3cc4ccccc4o3)no2)c(F)c1 ZINC000436579915 338278125 /nfs/dbraw/zinc/27/81/25/338278125.db2.gz VTOORWIOSRMOPJ-UHFFFAOYSA-N -1 1 310.284 3.918 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1CC[C@H]1Cc1ccccc1 ZINC000436580064 338278188 /nfs/dbraw/zinc/27/81/88/338278188.db2.gz ZNXIBIZYGISKDQ-AWEZNQCLSA-N -1 1 301.773 3.503 20 0 DHADMM C[C@]1(c2ccccc2)CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000436584883 338278601 /nfs/dbraw/zinc/27/86/01/338278601.db2.gz QTJWVHNISLAIOV-SFHVURJKSA-N -1 1 315.800 3.849 20 0 DHADMM O=C(NCc1cccc(-c2ccccn2)c1)c1cc(F)ccc1[O-] ZINC000436607268 338279590 /nfs/dbraw/zinc/27/95/90/338279590.db2.gz RNICGQRZWILVJZ-UHFFFAOYSA-N -1 1 322.339 3.523 20 0 DHADMM O=C(N[C@H]1CCCC(F)(F)C1)c1ccc2ccccc2c1[O-] ZINC000436610854 338279735 /nfs/dbraw/zinc/27/97/35/338279735.db2.gz XVDZXHCGOBROBK-LBPRGKRZSA-N -1 1 305.324 3.853 20 0 DHADMM COc1ccc(-c2nc([C@@H]3C[C@H]3c3ccccc3)no2)c([O-])c1 ZINC000436618023 338280051 /nfs/dbraw/zinc/28/00/51/338280051.db2.gz MIPZIGORADMOBV-LSDHHAIUSA-N -1 1 308.337 3.722 20 0 DHADMM CC(C)Cn1ncc(NC(=O)c2ccccc2[O-])c1C(C)C ZINC000436620491 338280243 /nfs/dbraw/zinc/28/02/43/338280243.db2.gz VUKYEABOUXPFLS-UHFFFAOYSA-N -1 1 301.390 3.620 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)c([O-])c1 ZINC000436620616 338280331 /nfs/dbraw/zinc/28/03/31/338280331.db2.gz BDMYXXBYUDPKJM-UHFFFAOYSA-N -1 1 313.353 3.539 20 0 DHADMM [O-]c1ccc(Oc2ccccc2)cc1-c1nc(-c2ncc[nH]2)no1 ZINC000436682690 338282652 /nfs/dbraw/zinc/28/26/52/338282652.db2.gz RDWSVLASAZGAHL-UHFFFAOYSA-N -1 1 320.308 3.625 20 0 DHADMM C[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1ccncc1F ZINC000436691008 338283032 /nfs/dbraw/zinc/28/30/32/338283032.db2.gz WSPYRDXYXGOAJS-NSHDSACASA-N -1 1 310.328 3.571 20 0 DHADMM O=C(C(=O)N1CCC[C@@H]1CC1CCCCC1)c1ccc([O-])cc1 ZINC000436690921 338283069 /nfs/dbraw/zinc/28/30/69/338283069.db2.gz SBBDJSFKMAEZFP-MRXNPFEDSA-N -1 1 315.413 3.536 20 0 DHADMM CSc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1Cl ZINC000436703639 338283443 /nfs/dbraw/zinc/28/34/43/338283443.db2.gz MJCLUNFBNOBZGT-UHFFFAOYSA-N -1 1 321.785 3.589 20 0 DHADMM CCc1ccc(CN(C)C(=O)c2ccc(Cl)cc2[O-])cc1 ZINC000436705063 338283489 /nfs/dbraw/zinc/28/34/89/338283489.db2.gz MHBZAZAHXMBONS-UHFFFAOYSA-N -1 1 303.789 3.880 20 0 DHADMM O=C(N[C@H]1CCSc2c(F)cccc21)c1c([O-])cccc1F ZINC000436706117 338283537 /nfs/dbraw/zinc/28/35/37/338283537.db2.gz UCZFSPFCLMTRPF-LBPRGKRZSA-N -1 1 321.348 3.637 20 0 DHADMM COc1ccc(C(=O)N2C[C@@H](C(C)C)c3ccccc32)c([O-])c1 ZINC000436715435 338283830 /nfs/dbraw/zinc/28/38/30/338283830.db2.gz PBLKKUPRMDXOHN-INIZCTEOSA-N -1 1 311.381 3.801 20 0 DHADMM Cc1cc(C[NH+](C)C)cc(NC(=O)c2cc(Cl)ccc2O)c1 ZINC000436731397 338284504 /nfs/dbraw/zinc/28/45/04/338284504.db2.gz LCCYEXHGBGPYBH-UHFFFAOYSA-N -1 1 318.804 3.668 20 0 DHADMM [O-]c1ccc(-c2nc3c(cccc3F)[nH]2)cc1Br ZINC000436734687 338284636 /nfs/dbraw/zinc/28/46/36/338284636.db2.gz BNGACVMFESMTEG-UHFFFAOYSA-N -1 1 307.122 3.837 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1Cc2ccccc2CO1 ZINC000436744348 338285248 /nfs/dbraw/zinc/28/52/48/338285248.db2.gz LPOYQPGRDPQAMO-UHFFFAOYSA-N -1 1 305.333 3.633 20 0 DHADMM CC[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccncc1 ZINC000436749751 338285327 /nfs/dbraw/zinc/28/53/27/338285327.db2.gz CAFZKFAUXQJRDO-CYBMUJFWSA-N -1 1 324.302 3.687 20 0 DHADMM COc1ccc(OC)c(NC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000436755358 338285700 /nfs/dbraw/zinc/28/57/00/338285700.db2.gz LLXBSJTUOHVEPB-UHFFFAOYSA-N -1 1 315.369 3.785 20 0 DHADMM CC(C)c1ccc(C(=O)Nc2cccc(-c3nnco3)c2)c([O-])c1 ZINC000436760534 338286099 /nfs/dbraw/zinc/28/60/99/338286099.db2.gz QCNJAUFQRMHJOZ-UHFFFAOYSA-N -1 1 323.352 3.818 20 0 DHADMM CC(C)(C)Nc1ccccc1NC(=O)c1ccc([O-])cc1F ZINC000436772269 338286807 /nfs/dbraw/zinc/28/68/07/338286807.db2.gz DMIZMHYCZJGROZ-UHFFFAOYSA-N -1 1 302.349 3.994 20 0 DHADMM O=C(NCCCOC1CCCCC1)c1ccc(Cl)cc1[O-] ZINC000436776820 338286920 /nfs/dbraw/zinc/28/69/20/338286920.db2.gz MEBOYLGVQOBWKE-UHFFFAOYSA-N -1 1 311.809 3.515 20 0 DHADMM CSc1ccc([C@@H](C)NC(=O)c2c([O-])cccc2F)cc1 ZINC000436782651 338287112 /nfs/dbraw/zinc/28/71/12/338287112.db2.gz OOKNOKMHPWVIGG-SNVBAGLBSA-N -1 1 305.374 3.744 20 0 DHADMM C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)c1ccc([O-])cc1F ZINC000436786318 338287335 /nfs/dbraw/zinc/28/73/35/338287335.db2.gz XILWJNCFWWOJDD-DZGCQCFKSA-N -1 1 313.372 3.940 20 0 DHADMM O=C(N[C@H]1C[C@@H]1c1c(F)cccc1F)c1ccc(Cl)cc1[O-] ZINC000436798076 338287818 /nfs/dbraw/zinc/28/78/18/338287818.db2.gz QWTMTMHUNNIMRW-GWCFXTLKSA-N -1 1 323.726 3.610 20 0 DHADMM C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1cncc(F)c1 ZINC000436862076 338290335 /nfs/dbraw/zinc/29/03/35/338290335.db2.gz MPQATURKJCGKGF-LLVKDONJSA-N -1 1 310.328 3.571 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3ccc(Cl)c(F)c3)n2)cc1F ZINC000436878660 338291445 /nfs/dbraw/zinc/29/14/45/338291445.db2.gz LCBKDILUYURRMJ-UHFFFAOYSA-N -1 1 322.698 3.965 20 0 DHADMM CCCCOc1ccc(C(=O)Nc2scnc2C)c([O-])c1 ZINC000436913533 338293297 /nfs/dbraw/zinc/29/32/97/338293297.db2.gz YSCZJIOPKQRKEW-UHFFFAOYSA-N -1 1 306.387 3.588 20 0 DHADMM C[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1c(F)cccc1F ZINC000436922265 338293461 /nfs/dbraw/zinc/29/34/61/338293461.db2.gz XHGQDPDGODAJNZ-QMMMGPOBSA-N -1 1 311.715 3.815 20 0 DHADMM COc1ccc(-c2nc(C3(c4cccc(C)c4)CC3)no2)c([O-])c1 ZINC000436953593 338295633 /nfs/dbraw/zinc/29/56/33/338295633.db2.gz ADMOKSFZOFXKIY-UHFFFAOYSA-N -1 1 322.364 3.839 20 0 DHADMM C[C@H](NC(=O)c1ccc([O-])cc1F)c1cc2cccc(F)c2o1 ZINC000436982574 338296676 /nfs/dbraw/zinc/29/66/76/338296676.db2.gz HNEWXMSTUJGRSK-VIFPVBQESA-N -1 1 317.291 3.908 20 0 DHADMM COc1ccc([C@H](C)NC(=O)c2ccc(Cl)cc2[O-])cc1F ZINC000437001105 338297377 /nfs/dbraw/zinc/29/73/77/338297377.db2.gz JTZYVWBOXKNXMM-VIFPVBQESA-N -1 1 323.751 3.684 20 0 DHADMM Cc1ccc2nc(NC(=O)c3c(F)ccc([O-])c3F)sc2c1 ZINC000438785030 338352197 /nfs/dbraw/zinc/35/21/97/338352197.db2.gz KARUKTJMPPEMPC-UHFFFAOYSA-N -1 1 320.320 3.841 20 0 DHADMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000438812583 338352281 /nfs/dbraw/zinc/35/22/81/338352281.db2.gz UHDZBQXANFZEFX-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM COc1cc(C(=O)NCC(C)(C)C2CCC2)cc(Cl)c1[O-] ZINC000456126597 338920012 /nfs/dbraw/zinc/92/00/12/338920012.db2.gz WJBLJMRMIQINSH-UHFFFAOYSA-N -1 1 311.809 3.610 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCSC[C@@H]1C1CC1 ZINC000456183271 338921513 /nfs/dbraw/zinc/92/15/13/338921513.db2.gz PRNZOSILOFBIDN-MRXNPFEDSA-N -1 1 313.422 3.513 20 0 DHADMM O=C(Nc1ccc([O-])c(F)c1F)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000456779945 338940268 /nfs/dbraw/zinc/94/02/68/338940268.db2.gz AQDZPDBBLXYCAA-YUMQZZPRSA-N -1 1 323.261 3.978 20 0 DHADMM CC[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc([O-])c(F)c1F ZINC000456790225 338940849 /nfs/dbraw/zinc/94/08/49/338940849.db2.gz WBFUPIGUJZHGKK-GXFFZTMASA-N -1 1 313.344 3.594 20 0 DHADMM O=C(C[C@@H]1CCc2ccccc2C1)Nc1ccc([O-])c(F)c1F ZINC000456792008 338941003 /nfs/dbraw/zinc/94/10/03/338941003.db2.gz ZHSPLPDDEVGZHR-LLVKDONJSA-N -1 1 317.335 3.804 20 0 DHADMM CCOc1cc(C[N@@H+]2CCSC(C)(C)C2)cc(Cl)c1O ZINC000459349998 339023683 /nfs/dbraw/zinc/02/36/83/339023683.db2.gz RZVDZQHBEWGANF-UHFFFAOYSA-N -1 1 315.866 3.772 20 0 DHADMM C[C@H](NCc1cc(=O)[nH]c(C2CC2)n1)c1ccc(F)c(Cl)c1 ZINC000459392024 339026567 /nfs/dbraw/zinc/02/65/67/339026567.db2.gz KXEOLKYDERNLOC-VIFPVBQESA-N -1 1 321.783 3.703 20 0 DHADMM CSc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000463510840 339119967 /nfs/dbraw/zinc/11/99/67/339119967.db2.gz DIIZRPLKPMYUBV-UHFFFAOYSA-N -1 1 313.831 3.863 20 0 DHADMM COc1cc([N-]S(=O)(=O)c2ccccc2C(C)C)ccc1F ZINC000468367116 339260758 /nfs/dbraw/zinc/26/07/58/339260758.db2.gz KIGUHWCQRDYKHP-UHFFFAOYSA-N -1 1 323.389 3.759 20 0 DHADMM O=c1cc(C2CC2)nc(SCc2ccc(-n3cccn3)cc2)[n-]1 ZINC000470439174 339319732 /nfs/dbraw/zinc/31/97/32/339319732.db2.gz SYPCDUBJBIMBAS-UHFFFAOYSA-N -1 1 324.409 3.538 20 0 DHADMM O=C(CCCSc1nc(C2CC2)cc(=O)[n-]1)c1ccccc1 ZINC000470456143 339320172 /nfs/dbraw/zinc/32/01/72/339320172.db2.gz SAOCHEZRBAIQMX-UHFFFAOYSA-N -1 1 314.410 3.815 20 0 DHADMM COc1ccc(Cl)cc1[N-]S(=O)(=O)CCC(C)(C)C ZINC000481481018 339605168 /nfs/dbraw/zinc/60/51/68/339605168.db2.gz OBVZMNHLNQCHOX-UHFFFAOYSA-N -1 1 305.827 3.527 20 0 DHADMM CC(C)(C)CCCSc1nc(=O)cc(O)n1C1CCCC1 ZINC000499933723 340047045 /nfs/dbraw/zinc/04/70/45/340047045.db2.gz DOCAGSGLQQAAOQ-UHFFFAOYSA-N -1 1 310.463 3.982 20 0 DHADMM CC(C)(C)CCCSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000499933723 340047046 /nfs/dbraw/zinc/04/70/46/340047046.db2.gz DOCAGSGLQQAAOQ-UHFFFAOYSA-N -1 1 310.463 3.982 20 0 DHADMM CC(C)C[C@H](C)CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000499933298 340047211 /nfs/dbraw/zinc/04/72/11/340047211.db2.gz CKOWKHAXGNSAIY-LBPRGKRZSA-N -1 1 310.463 3.838 20 0 DHADMM [O-]c1cccc(CN2CCO[C@@H](c3ccc(F)cc3)C2)c1Cl ZINC000507298119 340216723 /nfs/dbraw/zinc/21/67/23/340216723.db2.gz IHQYUYXWXBDXEQ-MRXNPFEDSA-N -1 1 321.779 3.758 20 0 DHADMM CSc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2C)c1 ZINC000509101345 340261353 /nfs/dbraw/zinc/26/13/53/340261353.db2.gz YMKSULYTIMWHQV-UHFFFAOYSA-N -1 1 311.403 3.657 20 0 DHADMM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1c(C)cccc1F ZINC000509217607 340264046 /nfs/dbraw/zinc/26/40/46/340264046.db2.gz KZQWYMDATAWFSH-UHFFFAOYSA-N -1 1 323.389 3.560 20 0 DHADMM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000511728738 340336363 /nfs/dbraw/zinc/33/63/63/340336363.db2.gz IDLWWGZQPALWTL-CQSZACIVSA-N -1 1 319.426 3.973 20 0 DHADMM CS[C@@H]1CCC[C@@H](NC(=O)c2cc3ccccc3cc2[O-])C1 ZINC000303661713 340340934 /nfs/dbraw/zinc/34/09/34/340340934.db2.gz HNWXGKGWPIEWLV-HUUCEWRRSA-N -1 1 315.438 3.949 20 0 DHADMM Cc1cccc([C@H]2CC[N@@H+](Cc3c(F)ccc(O)c3F)C2)c1 ZINC000512403846 340360818 /nfs/dbraw/zinc/36/08/18/340360818.db2.gz OQYLSNKVUZVMOV-AWEZNQCLSA-N -1 1 303.352 3.968 20 0 DHADMM CCCN(CC(=O)OC(C)(C)C)Cc1cccc([O-])c1Cl ZINC000512487562 340363720 /nfs/dbraw/zinc/36/37/20/340363720.db2.gz WHGHRRCOTHQMCJ-UHFFFAOYSA-N -1 1 313.825 3.599 20 0 DHADMM CC(=O)c1cccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c1 ZINC000007053345 340462138 /nfs/dbraw/zinc/46/21/38/340462138.db2.gz XHHKRNORSHAZQZ-UHFFFAOYSA-N -1 1 317.410 3.615 20 0 DHADMM CC(C)CCn1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000192236723 340564984 /nfs/dbraw/zinc/56/49/84/340564984.db2.gz BYHJECBVEBMHHX-UHFFFAOYSA-N -1 1 322.796 3.932 20 0 DHADMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)[C@@H]1C[C@]12CCOC2 ZINC000529539084 340760943 /nfs/dbraw/zinc/76/09/43/340760943.db2.gz PKBCJYLXLHRPMF-SJCJKPOMSA-N -1 1 317.772 3.564 20 0 DHADMM Cc1ccc(O)cc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000530145474 340780762 /nfs/dbraw/zinc/78/07/62/340780762.db2.gz RNPSCDAWRCFGQD-UHFFFAOYSA-N -1 1 319.426 3.735 20 0 DHADMM Cc1cc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C)c(C)s1 ZINC000127824203 340856674 /nfs/dbraw/zinc/85/66/74/340856674.db2.gz IJMZAPIXPMLFCI-UHFFFAOYSA-N -1 1 324.471 3.540 20 0 DHADMM Cc1cccc(NC(=O)c2cc(F)ccc2[O-])c1Br ZINC000128588482 340899022 /nfs/dbraw/zinc/89/90/22/340899022.db2.gz YFFPGYHSKIFXDQ-UHFFFAOYSA-N -1 1 324.149 3.855 20 0 DHADMM C[C@@H]1CN(C(=O)c2ccc3ccccc3c2[O-])C[C@@H](C)S1 ZINC000070387721 340994705 /nfs/dbraw/zinc/99/47/05/340994705.db2.gz XUQXURZYRULKHC-VXGBXAGGSA-N -1 1 301.411 3.511 20 0 DHADMM C[C@H]1CCC[C@H](CC[N@@H+](C)Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000131686976 341108227 /nfs/dbraw/zinc/10/82/27/341108227.db2.gz OJVMQOFQGKAVEG-QWHCGFSZSA-N -1 1 319.474 3.633 20 0 DHADMM COc1cccc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000073689296 341120093 /nfs/dbraw/zinc/12/00/93/341120093.db2.gz WRXLBTNMRXQVCN-UHFFFAOYSA-N -1 1 316.304 3.502 20 0 DHADMM COc1cc(C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1[O-] ZINC000546593282 341173802 /nfs/dbraw/zinc/17/38/02/341173802.db2.gz LQZJLWLCWFPPJR-UHFFFAOYSA-N -1 1 305.761 3.923 20 0 DHADMM CSCC[C@@H](C)N(C)C(=O)c1cc2ccccc2cc1[O-] ZINC000134357718 341213926 /nfs/dbraw/zinc/21/39/26/341213926.db2.gz GTAOFRQWGLTZKU-GFCCVEGCSA-N -1 1 303.427 3.759 20 0 DHADMM COc1ccc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)c(C)c1 ZINC000135045482 341229643 /nfs/dbraw/zinc/22/96/43/341229643.db2.gz HWUPIWBUBZULGS-UHFFFAOYSA-N -1 1 321.760 3.624 20 0 DHADMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc3cc[nH]c32)c(C)c1 ZINC000547822556 341235136 /nfs/dbraw/zinc/23/51/36/341235136.db2.gz HWEYAOWRAWXJKU-UHFFFAOYSA-N -1 1 314.410 3.894 20 0 DHADMM CN(Cc1ccccc1F)C(=O)c1ccc2ccccc2c1[O-] ZINC000078566577 341244099 /nfs/dbraw/zinc/24/40/99/341244099.db2.gz WQNHFSQFLWDVCW-UHFFFAOYSA-N -1 1 309.340 3.957 20 0 DHADMM C[C@@H]1CCCCC[N@H+]1Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000548275367 341253767 /nfs/dbraw/zinc/25/37/67/341253767.db2.gz BOEGRZQTRWKNCF-GFCCVEGCSA-N -1 1 311.385 3.846 20 0 DHADMM Cc1noc(C2CC2)c1[N-]C(=O)c1coc(C2CCCC2)n1 ZINC000548988457 341282927 /nfs/dbraw/zinc/28/29/27/341282927.db2.gz MSVIVFJJBCFTLG-UHFFFAOYSA-N -1 1 301.346 3.758 20 0 DHADMM CC(C)C1([N-]S(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000549916209 341306420 /nfs/dbraw/zinc/30/64/20/341306420.db2.gz OVDULGVMUILEKE-UHFFFAOYSA-N -1 1 314.259 3.522 20 0 DHADMM CCc1ccc(C(=O)[O-])cc1NCc1cnc(-c2ccccc2)[nH]1 ZINC000551056005 341330444 /nfs/dbraw/zinc/33/04/44/341330444.db2.gz ZGJXPBVCSZNEIK-UHFFFAOYSA-N -1 1 321.380 3.949 20 0 DHADMM O=c1cc(C(F)F)nc(SCCc2cccc(F)c2F)[n-]1 ZINC000564391510 341391812 /nfs/dbraw/zinc/39/18/12/341391812.db2.gz FEAXSWCKXJGSAG-UHFFFAOYSA-N -1 1 318.295 3.733 20 0 DHADMM [O-]c1ccc(-c2noc(/C=C\c3cscn3)n2)c(Cl)c1 ZINC000567212736 341587972 /nfs/dbraw/zinc/58/79/72/341587972.db2.gz XKHJNKBACKDXIP-RJRFIUFISA-N -1 1 305.746 3.723 20 0 DHADMM CC(C)c1cc(C(=O)[N-]c2nc(-c3ccccc3)ns2)no1 ZINC000154315381 341587984 /nfs/dbraw/zinc/58/79/84/341587984.db2.gz GCEUPPZSWXZDRQ-UHFFFAOYSA-N -1 1 314.370 3.569 20 0 DHADMM Cc1ccsc1S(=O)(=O)[N-]c1cccc(F)c1Cl ZINC000573242294 341722227 /nfs/dbraw/zinc/72/22/27/341722227.db2.gz INZJKVPGNJWGCW-UHFFFAOYSA-N -1 1 305.783 3.650 20 0 DHADMM C[C@H]1CCN(C(=O)c2c([O-])cnc3ccc(Cl)cc32)C[C@H]1C ZINC000338402956 524263609 /nfs/dbraw/zinc/26/36/09/524263609.db2.gz OCKLYONTYMJFPE-WDEREUQCSA-N -1 1 318.804 3.712 20 0 DHADMM O=C(c1c([O-])cnc2ccc(Cl)cc21)N1Cc2ccccc2C1 ZINC000338389294 526579564 /nfs/dbraw/zinc/57/95/64/526579564.db2.gz WDPCXNMNZPNUFE-UHFFFAOYSA-N -1 1 324.767 3.750 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000270409620 527214351 /nfs/dbraw/zinc/21/43/51/527214351.db2.gz XSOAQXRIIHNTCX-ZJUUUORDSA-N -1 1 305.271 3.839 20 0 DHADMM CCCc1nc(C)c(C(=O)[N-]c2c(F)cc(C(C)=O)cc2F)o1 ZINC000297904014 535495212 /nfs/dbraw/zinc/49/52/12/535495212.db2.gz STVMYOXCTPDTQQ-UHFFFAOYSA-N -1 1 322.311 3.669 20 0 DHADMM CCc1ccc(NC(=O)c2cc(Br)ccc2[O-])cc1 ZINC000011639297 563649960 /nfs/dbraw/zinc/64/99/60/563649960.db2.gz YMEIPRBAABJNIM-UHFFFAOYSA-N -1 1 320.186 3.969 20 0 DHADMM O=C([O-])c1occc1CNC1(c2ccc(Cl)cc2)CCC1 ZINC000740282410 599793859 /nfs/dbraw/zinc/79/38/59/599793859.db2.gz XXXBGXYBMKNYHL-UHFFFAOYSA-N -1 1 305.761 3.800 20 0 DHADMM CN(Cc1ccco1)Cc1c2ccccc2sc1C(=O)[O-] ZINC000035716212 599935660 /nfs/dbraw/zinc/93/56/60/599935660.db2.gz LMBQVMPQNRKWBW-UHFFFAOYSA-N -1 1 301.367 3.825 20 0 DHADMM COc1ccccc1[C@H]1CCCCN1Cc1cc(C(=O)[O-])co1 ZINC000738126533 599993091 /nfs/dbraw/zinc/99/30/91/599993091.db2.gz GMVPIHZCPNHOHG-MRXNPFEDSA-N -1 1 315.369 3.714 20 0 DHADMM CC[C@@](NCc1c(F)cccc1Cl)(C(=O)[O-])c1ccccc1 ZINC000736917561 600129100 /nfs/dbraw/zinc/12/91/00/600129100.db2.gz NTTQLMQFOZJFAN-KRWDZBQOSA-N -1 1 321.779 3.959 20 0 DHADMM O=C([O-])c1cc(F)ccc1CN1CCCC[C@@H]1c1ccco1 ZINC000740079818 600217937 /nfs/dbraw/zinc/21/79/37/600217937.db2.gz VFNXRVKPPNZKLK-OAHLLOKOSA-N -1 1 303.333 3.844 20 0 DHADMM CC[C@@H]1CN(Cc2c3ccccc3sc2C(=O)[O-])C[C@H](C)O1 ZINC000736945429 600332233 /nfs/dbraw/zinc/33/22/33/600332233.db2.gz XHPYAHXLFYGAGX-NWDGAFQWSA-N -1 1 319.426 3.599 20 0 DHADMM Cc1nc2c(s1)[C@H](N(C)Cc1cc(C(=O)[O-])c(C)o1)CCC2 ZINC000515660409 600336400 /nfs/dbraw/zinc/33/64/00/600336400.db2.gz ZMODLUNDEJRMFZ-CQSZACIVSA-N -1 1 320.414 3.561 20 0 DHADMM C[C@H]1SCCN(Cc2cc(C(=O)[O-])co2)[C@@H]1c1ccccc1 ZINC000576234020 600490420 /nfs/dbraw/zinc/49/04/20/600490420.db2.gz RDCOFAMMVIPUHO-WBMJQRKESA-N -1 1 317.410 3.656 20 0 DHADMM O=C([O-])c1ccc(CNCc2cc(-c3ccccc3)cs2)o1 ZINC000740133054 600525225 /nfs/dbraw/zinc/52/52/25/600525225.db2.gz SKMYZTQXMHAZEI-UHFFFAOYSA-N -1 1 313.378 3.996 20 0 DHADMM C[C@@H](N[C@H](C(=O)[O-])c1ccccc1F)c1cccc(Cl)c1 ZINC000827718712 600733169 /nfs/dbraw/zinc/73/31/69/600733169.db2.gz WWEIVUUUWXACHB-BMIGLBTASA-N -1 1 307.752 3.956 20 0 DHADMM O=C([O-])[C@@H](N[C@H]1CCc2cc(Cl)ccc21)c1ccccc1F ZINC000833166765 600743582 /nfs/dbraw/zinc/74/35/82/600743582.db2.gz JXKUADMBXALUOP-HOTGVXAUSA-N -1 1 319.763 3.882 20 0 DHADMM CCOc1cccc([C@H](C)N[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000830099501 600744574 /nfs/dbraw/zinc/74/45/74/600744574.db2.gz GNIWXXNHBKJOAW-SJCJKPOMSA-N -1 1 317.360 3.701 20 0 DHADMM CC[C@@H](C)CN(C)Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000584845033 600828936 /nfs/dbraw/zinc/82/89/36/600828936.db2.gz ONZORAQKXVXYNO-GFCCVEGCSA-N -1 1 318.442 3.986 20 0 DHADMM CCN(Cc1cc(C(=O)[O-])oc1C)[C@H](C)c1cccc(O)c1 ZINC000829718734 601006997 /nfs/dbraw/zinc/00/69/97/601006997.db2.gz QKNQQPUPYSYJDC-LLVKDONJSA-N -1 1 303.358 3.575 20 0 DHADMM CC[C@@](C)(NCc1ccsc1C(=O)[O-])c1nc(C)cs1 ZINC000828691806 601836785 /nfs/dbraw/zinc/83/67/85/601836785.db2.gz DVDQNAYVJPRTPK-CQSZACIVSA-N -1 1 310.444 3.626 20 0 DHADMM CC[C@H](NCc1ccc(NC(=O)[O-])nc1)c1cc(F)ccc1F ZINC000826620294 603557586 /nfs/dbraw/zinc/55/75/86/603557586.db2.gz QNCFYNKNJGYEJJ-AWEZNQCLSA-N -1 1 321.327 3.691 20 0 DHADMM O=C([O-])N1CCc2cccc(CNCc3cccc(Cl)c3)c21 ZINC000832087516 603847960 /nfs/dbraw/zinc/84/79/60/603847960.db2.gz WSOFOVUTDKKFBT-UHFFFAOYSA-N -1 1 316.788 3.670 20 0 DHADMM C[C@@H](NCc1occc1C(=O)[O-])c1ccc(Br)cc1 ZINC000235215268 605059063 /nfs/dbraw/zinc/05/90/63/605059063.db2.gz ONABWCLZVWNQNW-SECBINFHSA-N -1 1 324.174 3.591 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN[C@@H](C)c1cc(C)ccc1OC ZINC000833681103 605064951 /nfs/dbraw/zinc/06/49/51/605064951.db2.gz SKGDDFUYUNCNCV-LBPRGKRZSA-N -1 1 317.385 3.708 20 0 DHADMM CCOc1ccc([C@H](C)N[C@@H](C)c2ccc(C(=O)[O-])o2)cc1 ZINC000833663860 605067613 /nfs/dbraw/zinc/06/76/13/605067613.db2.gz NKSVKJRZUZCFAU-RYUDHWBXSA-N -1 1 303.358 3.788 20 0 DHADMM CC[C@@H](NCc1cc(C(=O)[O-])oc1C)c1ccccc1OC ZINC000833643810 605079418 /nfs/dbraw/zinc/07/94/18/605079418.db2.gz HRYXQSCLWWCXGX-CQSZACIVSA-N -1 1 303.358 3.536 20 0 DHADMM CC(C)(C)OCc1cccc(CNCc2ccoc2C(=O)[O-])c1 ZINC000833445078 605087562 /nfs/dbraw/zinc/08/75/62/605087562.db2.gz AVMHMYSVBUQDJB-UHFFFAOYSA-N -1 1 317.385 3.583 20 0 DHADMM O=C([O-])Nc1ccc2c(c1)CC[C@H]2NCc1ccc(F)cc1F ZINC000834262965 605600105 /nfs/dbraw/zinc/60/01/05/605600105.db2.gz OFJRWUYXKKDOKX-MRXNPFEDSA-N -1 1 318.323 3.832 20 0 DHADMM Cc1noc(C)c1[C@H](C)N[C@H]1CCc2cc(NC(=O)[O-])ccc21 ZINC000833928609 605612586 /nfs/dbraw/zinc/61/25/86/605612586.db2.gz HGUNFUNKLWWFST-VFZGTOFNSA-N -1 1 315.373 3.719 20 0 DHADMM O=C([O-])N[C@@H]1C[C@@H](N[C@H]2CCCc3occc32)c2ccccc21 ZINC000834160759 605793792 /nfs/dbraw/zinc/79/37/92/605793792.db2.gz WCIDXLCMKJMXEF-ARFHVFGLSA-N -1 1 312.369 3.700 20 0 DHADMM CC(C)(C)c1ccc2c(c1)CN([C@@H](C(=O)[O-])c1cccnc1)CC2 ZINC000565662612 605853076 /nfs/dbraw/zinc/85/30/76/605853076.db2.gz FSQDELOCHKWJCB-GOSISDBHSA-N -1 1 324.424 3.563 20 0 DHADMM C(=Cc1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)s1 ZINC000819709802 606386752 /nfs/dbraw/zinc/38/67/52/606386752.db2.gz PRVCFVLZLHIUEF-SOFGYWHQSA-N -1 1 311.395 3.708 20 0 DHADMM CC(C)(C)CC(C)(C)Nc1snc(Cl)c1-c1nn[n-]n1 ZINC000824080439 608188117 /nfs/dbraw/zinc/18/81/17/608188117.db2.gz XGWICPYOIDCXEG-UHFFFAOYSA-N -1 1 314.846 3.603 20 0 DHADMM CC(C)(C)CC(C)(C)Nc1snc(Cl)c1-c1nnn[n-]1 ZINC000824080439 608188116 /nfs/dbraw/zinc/18/81/16/608188116.db2.gz XGWICPYOIDCXEG-UHFFFAOYSA-N -1 1 314.846 3.603 20 0 DHADMM C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(NCC(C)(C)C)cc1 ZINC001161641882 1013079427 /nfs/dbraw/zinc/07/94/27/1013079427.db2.gz COUAEXYWVUBEPC-JTQLQIEISA-N -1 1 302.340 3.884 20 0 DHADMM CC(C)(C)c1csc(CN2CCCC[C@H]2CCC(=O)[O-])n1 ZINC000094969347 949187555 /nfs/dbraw/zinc/18/75/55/949187555.db2.gz FHIJOPAMLHOSMA-LBPRGKRZSA-N -1 1 310.463 3.660 20 0 DHADMM CCOc1c(Cl)cccc1CNCc1ccccc1C(=O)[O-] ZINC001592008835 951290540 /nfs/dbraw/zinc/29/05/40/951290540.db2.gz AHBWKOPZLYHICE-UHFFFAOYSA-N -1 1 319.788 3.727 20 0 DHADMM O=C([O-])[C@@H]1CN(C/C=C\c2ccc(F)cc2)Cc2ccccc21 ZINC001594954208 954972914 /nfs/dbraw/zinc/97/29/14/954972914.db2.gz ZKOOXGFTNRYQOE-DDKKJVIOSA-N -1 1 311.356 3.523 20 0 DHADMM C[C@H](NCc1ccc(C(=O)[O-])o1)c1ccc(Br)cc1 ZINC000071396174 957723317 /nfs/dbraw/zinc/72/33/17/957723317.db2.gz CXNWMSJOOCWEHK-VIFPVBQESA-N -1 1 324.174 3.591 20 0 DHADMM CCN(Cc1ccc(OC)cc1)Cc1cc(C(=O)[O-])ccc1F ZINC001231461615 960614055 /nfs/dbraw/zinc/61/40/55/960614055.db2.gz YCOTUCGWMZEYFP-UHFFFAOYSA-N -1 1 317.360 3.555 20 0 DHADMM O=C(Nc1nccc2cc[nH]c21)c1ccc2ccccc2c1[O-] ZINC001167121686 1013219465 /nfs/dbraw/zinc/21/94/65/1013219465.db2.gz OQTUXXQFHOWVLJ-UHFFFAOYSA-N -1 1 303.321 3.674 20 0 DHADMM CC(C)C[C@@H](CN[C@@H](CCc1ccccc1)C(F)F)C(=O)[O-] ZINC000263102776 962253901 /nfs/dbraw/zinc/25/39/01/962253901.db2.gz XBSJUFXEZIVHKM-GJZGRUSLSA-N -1 1 313.388 3.589 20 0 DHADMM Fc1ccc2nc([N-][C@H](C[C@@H]3CCCO3)C(F)(F)F)oc2c1 ZINC000894435192 1013361390 /nfs/dbraw/zinc/36/13/90/1013361390.db2.gz LYXCKZBTQFSMJM-JOYOIKCWSA-N -1 1 318.270 3.879 20 0 DHADMM C[C@H]1CN(Cc2cccc(Cl)c2Cl)CC[C@H]1C(=O)[O-] ZINC000302560963 963093332 /nfs/dbraw/zinc/09/33/32/963093332.db2.gz YHAHKQMTASJVTP-GXSJLCMTSA-N -1 1 302.201 3.536 20 0 DHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2coc3ccccc23)c1 ZINC001203153756 1013422827 /nfs/dbraw/zinc/42/28/27/1013422827.db2.gz GNLQTTYMNOVXCM-UHFFFAOYSA-N -1 1 317.366 3.676 20 0 DHADMM COCc1c2ccccc2oc1C(=O)Nc1ccc(F)cc1[O-] ZINC000340329615 1013498101 /nfs/dbraw/zinc/49/81/01/1013498101.db2.gz ZBURGVZBAXSOJD-UHFFFAOYSA-N -1 1 315.300 3.676 20 0 DHADMM CSc1ccc([O-])c(-c2nc(CCC3CCOCC3)no2)c1 ZINC000664894788 1013558255 /nfs/dbraw/zinc/55/82/55/1013558255.db2.gz OSMIEEWNWFPJSV-UHFFFAOYSA-N -1 1 320.414 3.523 20 0 DHADMM O=C([O-])[C@H]1CN(Cc2ccccc2Cl)Cc2ccccc21 ZINC000087612388 967582781 /nfs/dbraw/zinc/58/27/81/967582781.db2.gz KFNURENVBVMOQL-HNNXBMFYSA-N -1 1 301.773 3.524 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccccc1OC(F)F ZINC000070333807 1013822994 /nfs/dbraw/zinc/82/29/94/1013822994.db2.gz ARAHLABYVCTZBU-UHFFFAOYSA-N -1 1 313.687 3.899 20 0 DHADMM CSc1ccc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)s1 ZINC000901627052 969452996 /nfs/dbraw/zinc/45/29/96/969452996.db2.gz GJKZNWVVAQILJC-AWEZNQCLSA-N -1 1 319.451 3.654 20 0 DHADMM CC[C@H]1CCC[C@H](NC(=O)c2cc(Cl)c([O-])c(OC)c2)C1 ZINC000334091258 1013886328 /nfs/dbraw/zinc/88/63/28/1013886328.db2.gz HWUCOJHYQIICDM-JQWIXIFHSA-N -1 1 311.809 3.753 20 0 DHADMM CC[C@@H]1CCC[C@H](C[N@@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)C1 ZINC000394528978 972718115 /nfs/dbraw/zinc/71/81/15/972718115.db2.gz VZRZSULVNGQRQW-RVKKMQEKSA-N -1 1 301.430 3.887 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)s1 ZINC000048652799 1014083831 /nfs/dbraw/zinc/08/38/31/1014083831.db2.gz TXRNRROKLIRJBZ-UHFFFAOYSA-N -1 1 319.810 3.904 20 0 DHADMM CC(F)(F)c1ccc(CNC(=O)c2ccc([O-])c(F)c2)cc1 ZINC000647121562 1014088698 /nfs/dbraw/zinc/08/86/98/1014088698.db2.gz ZSNCTQAZHGJOBY-UHFFFAOYSA-N -1 1 309.287 3.573 20 0 DHADMM O=C(CCOc1ccccc1Cl)Nc1c([O-])cccc1F ZINC000089541352 1014102634 /nfs/dbraw/zinc/10/26/34/1014102634.db2.gz PTVALPPJHLLGSV-UHFFFAOYSA-N -1 1 309.724 3.592 20 0 DHADMM CC[C@@H]1CCCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000563277329 974524859 /nfs/dbraw/zinc/52/48/59/974524859.db2.gz FXQLJTVZASNXQG-CYBMUJFWSA-N -1 1 314.385 3.662 20 0 DHADMM CCc1oc2ccccc2c1CN(C)Cc1ccc(C(=O)[O-])cn1 ZINC000563280150 974526124 /nfs/dbraw/zinc/52/61/24/974526124.db2.gz LPSKHNLMJOMZIZ-UHFFFAOYSA-N -1 1 324.380 3.720 20 0 DHADMM Cc1oc(CN2CCC[C@@H]2c2ccc(F)cc2)cc1C(=O)[O-] ZINC000579240242 974871692 /nfs/dbraw/zinc/87/16/92/974871692.db2.gz GRQXBPINGLLJPH-MRXNPFEDSA-N -1 1 303.333 3.762 20 0 DHADMM CC1CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC000581493765 974911317 /nfs/dbraw/zinc/91/13/17/974911317.db2.gz IDZGLRBCSHYGHJ-UHFFFAOYSA-N -1 1 316.426 3.740 20 0 DHADMM O=C([O-])c1cccc(CN2CCC[C@@H](OC3CCC3)C2)c1Cl ZINC000656191163 975645281 /nfs/dbraw/zinc/64/52/81/975645281.db2.gz DJZJKTBAQGSGBR-CQSZACIVSA-N -1 1 323.820 3.572 20 0 DHADMM Cc1cc(CN(Cc2ccccc2F)CC2CC2)oc1C(=O)[O-] ZINC000656766197 975698805 /nfs/dbraw/zinc/69/88/05/975698805.db2.gz SCIZWGMQMQNTCY-UHFFFAOYSA-N -1 1 317.360 3.838 20 0 DHADMM CC(C)Oc1cccc(CN(C)Cc2csc(C(=O)[O-])c2)c1 ZINC001591792232 975996759 /nfs/dbraw/zinc/99/67/59/975996759.db2.gz PMWXXTXANIVGGS-UHFFFAOYSA-N -1 1 319.426 3.866 20 0 DHADMM CC(C)c1ccc([C@@H](NCc2oncc2C(=O)[O-])C(C)C)cc1 ZINC001591949337 976507250 /nfs/dbraw/zinc/50/72/50/976507250.db2.gz VBGGQXCEJQBTTN-KRWDZBQOSA-N -1 1 316.401 3.983 20 0 DHADMM COC(=O)C1(c2ccc(-c3cc(F)c([O-])cc3F)cc2)CC1 ZINC001211353447 1014369507 /nfs/dbraw/zinc/36/95/07/1014369507.db2.gz WPQVCCDMZHRIBV-UHFFFAOYSA-N -1 1 304.292 3.542 20 0 DHADMM C[C@](CC(=O)[O-])(NCc1ccccc1Cl)c1cccc(F)c1 ZINC001592329156 977753605 /nfs/dbraw/zinc/75/36/05/977753605.db2.gz SBBASHVEKNDRCJ-QGZVFWFLSA-N -1 1 321.779 3.959 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN(C)[C@H](C)c1ccc(F)cc1 ZINC000830355200 979016832 /nfs/dbraw/zinc/01/68/32/979016832.db2.gz BYTXZHXNIFXOTE-LLVKDONJSA-N -1 1 305.349 3.872 20 0 DHADMM CC[C@@H](N[C@@H](C)c1cncc(C(=O)[O-])c1)c1ccc(F)cc1F ZINC001595281374 980333440 /nfs/dbraw/zinc/33/34/40/980333440.db2.gz MZWRUSFJKNCHOW-MGPLVRAMSA-N -1 1 320.339 3.860 20 0 DHADMM CC(C)(CN1Cc2ccc(C(=O)[O-])cc2C1)Oc1ccccc1 ZINC000901647595 980425496 /nfs/dbraw/zinc/42/54/96/980425496.db2.gz IOJWIMGDJLTEOH-UHFFFAOYSA-N -1 1 311.381 3.558 20 0 DHADMM CC[C@@H](NCc1cn2c(cccc2C)n1)c1ccc(C(=O)[O-])cc1 ZINC001595304298 980439102 /nfs/dbraw/zinc/43/91/02/980439102.db2.gz DJEFMWZTQVQBJE-QGZVFWFLSA-N -1 1 323.396 3.582 20 0 DHADMM CC[C@H](NCc1ccsc1C(=O)[O-])c1cc(F)ccc1F ZINC001595304849 980440635 /nfs/dbraw/zinc/44/06/35/980440635.db2.gz JJLNAQBSBRHNNG-ZDUSSCGKSA-N -1 1 311.353 3.965 20 0 DHADMM Cc1ccoc1CN[C@@H](C[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000901846441 980570208 /nfs/dbraw/zinc/57/02/08/980570208.db2.gz IPHKZRVZXBKHER-RDJZCZTQSA-N -1 1 313.397 3.641 20 0 DHADMM C[C@@H]1CCN(Cc2ccc(-c3ccc(F)cc3)o2)[C@H](C(=O)[O-])C1 ZINC000902018929 980695282 /nfs/dbraw/zinc/69/52/82/980695282.db2.gz VUBWMVSMYJWEFN-WBMJQRKESA-N -1 1 317.360 3.771 20 0 DHADMM CCCOc1ccc(CNCc2cc(C(=O)[O-])c(CC)o2)cc1 ZINC000902105473 980736980 /nfs/dbraw/zinc/73/69/80/980736980.db2.gz VFQJUHWXWQDIPZ-UHFFFAOYSA-N -1 1 317.385 3.619 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CNCc1ccccc1COC(C)C ZINC000902123505 980745506 /nfs/dbraw/zinc/74/55/06/980745506.db2.gz WOOJROIBMXIFJE-UHFFFAOYSA-N -1 1 317.385 3.501 20 0 DHADMM CCOc1cccc([C@H](C)NCc2ccc(/C=C\C(=O)[O-])o2)c1 ZINC000902166353 980764270 /nfs/dbraw/zinc/76/42/70/980764270.db2.gz VKFJJDHHPFVPSD-XPSMFNQNSA-N -1 1 315.369 3.627 20 0 DHADMM CCOc1cccc([C@@H](C)NCc2ccc(/C=C/C(=O)[O-])o2)c1 ZINC000902166352 980764310 /nfs/dbraw/zinc/76/43/10/980764310.db2.gz VKFJJDHHPFVPSD-WTNCMQEWSA-N -1 1 315.369 3.627 20 0 DHADMM Cc1cc(CN[C@H](C)c2ccc(OC(C)C)cc2)oc1C(=O)[O-] ZINC000902176547 980769574 /nfs/dbraw/zinc/76/95/74/980769574.db2.gz LSLRAARAFFYVFH-CYBMUJFWSA-N -1 1 317.385 3.924 20 0 DHADMM CCc1oc(CNC(C)(C)c2cccc(F)c2)cc1C(=O)[O-] ZINC000902287443 980819023 /nfs/dbraw/zinc/81/90/23/980819023.db2.gz UWXBGNVGWYVRTN-UHFFFAOYSA-N -1 1 305.349 3.704 20 0 DHADMM C[C@@H](NCc1cc(C(=O)[O-])co1)c1ccccc1C(F)(F)F ZINC000902314183 980829198 /nfs/dbraw/zinc/82/91/98/980829198.db2.gz YMOVPOOPBFXZNM-SECBINFHSA-N -1 1 313.275 3.847 20 0 DHADMM CC[C@@](C)(NCc1ccc(/C=C/C(=O)[O-])o1)c1ccc(F)cc1 ZINC000902337873 980838320 /nfs/dbraw/zinc/83/83/20/980838320.db2.gz WFIYYCQXGZBRFL-DOJUMQAQSA-N -1 1 317.360 3.932 20 0 DHADMM CC(C)(CCN1CCc2cc(Cl)cc(Cl)c2C1)C(=O)[O-] ZINC000902357943 980851188 /nfs/dbraw/zinc/85/11/88/980851188.db2.gz DOIWKGNPZRSFEH-UHFFFAOYSA-N -1 1 316.228 3.852 20 0 DHADMM Cc1oc(CNCc2ccc(C(C)(C)C)s2)cc1C(=O)[O-] ZINC000902420031 980879049 /nfs/dbraw/zinc/87/90/49/980879049.db2.gz OUPYQOZNUAZKPS-UHFFFAOYSA-N -1 1 307.415 3.935 20 0 DHADMM O=C([O-])c1occc1CN[C@H]1CCCOc2cc(Cl)ccc21 ZINC000902429503 980882796 /nfs/dbraw/zinc/88/27/96/980882796.db2.gz DQTGCYGPNJVRTD-ZDUSSCGKSA-N -1 1 321.760 3.635 20 0 DHADMM O=C([O-])c1ccc(CN2CCCC3(CC3)C2)cc1Br ZINC000902441385 980888038 /nfs/dbraw/zinc/88/80/38/980888038.db2.gz QTXKGIDEOCLGOX-UHFFFAOYSA-N -1 1 324.218 3.523 20 0 DHADMM CC1(NCc2ccc(-c3ccccc3C(=O)[O-])o2)CC(F)(F)C1 ZINC000902448805 980892008 /nfs/dbraw/zinc/89/20/08/980892008.db2.gz WWDVICSIWMUXIM-UHFFFAOYSA-N -1 1 321.323 3.922 20 0 DHADMM CCc1oc(CN2CCC[C@@H]2c2cccs2)cc1C(=O)[O-] ZINC000902507494 980914141 /nfs/dbraw/zinc/91/41/41/980914141.db2.gz DVVLQTYVAOJZRS-CYBMUJFWSA-N -1 1 305.399 3.939 20 0 DHADMM CCc1oc(CN(C)[C@H](C)c2ccc(OC)cc2)cc1C(=O)[O-] ZINC000902508954 980914597 /nfs/dbraw/zinc/91/45/97/980914597.db2.gz DUYDRIOVGZAQHX-GFCCVEGCSA-N -1 1 317.385 3.742 20 0 DHADMM O=C([O-])[C@@H](c1cccc(Cl)c1Cl)N1CCC[C@@H](CF)C1 ZINC000903607961 980988211 /nfs/dbraw/zinc/98/82/11/980988211.db2.gz OZBBNQSNPRZEOX-TVQRCGJNSA-N -1 1 320.191 3.801 20 0 DHADMM CCC[C@](C)(NCc1nc(C(=O)[O-])cs1)c1ccccc1 ZINC001595558812 981438277 /nfs/dbraw/zinc/43/82/77/981438277.db2.gz DDWCDKNCROAWSG-INIZCTEOSA-N -1 1 304.415 3.646 20 0 DHADMM CCC[C@@H](NCc1ccc(C(=O)[O-])c(F)c1)c1ccccn1 ZINC001595600428 981580233 /nfs/dbraw/zinc/58/02/33/981580233.db2.gz KYVMPCFXRKAVSY-OAHLLOKOSA-N -1 1 302.349 3.550 20 0 DHADMM COc1cc(C(=O)N(C)[C@H]2CCC[C@@H](C)C2)cc(Cl)c1[O-] ZINC000442858347 1014749570 /nfs/dbraw/zinc/74/95/70/1014749570.db2.gz RUZIYCXRFOGAIG-PWSUYJOCSA-N -1 1 311.809 3.705 20 0 DHADMM CSC[C@H]1CCCN1C(=O)c1cc2ccccc2cc1[O-] ZINC000092762361 1014818885 /nfs/dbraw/zinc/81/88/85/1014818885.db2.gz ORVAYCSLYYGQDR-CQSZACIVSA-N -1 1 301.411 3.513 20 0 DHADMM COc1cc(C(=O)N2C[C@H](C)[C@H]3CCCC[C@@H]32)cc(Cl)c1[O-] ZINC000443122622 1014819493 /nfs/dbraw/zinc/81/94/93/1014819493.db2.gz ZZSQMYAETNTENS-SUHUHFCYSA-N -1 1 323.820 3.705 20 0 DHADMM CCc1cccc2cc(CN[C@H](Cc3ccccc3)C(=O)[O-])oc21 ZINC000656564121 1014869956 /nfs/dbraw/zinc/86/99/56/1014869956.db2.gz AZKJPHPPHSFJER-GOSISDBHSA-N -1 1 323.392 3.781 20 0 DHADMM CCOc1cccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000443396845 1014901106 /nfs/dbraw/zinc/90/11/06/1014901106.db2.gz BSLPPFBELFJYFU-UHFFFAOYSA-N -1 1 305.399 3.503 20 0 DHADMM CO[C@H](CSc1nc(C)c(C2CC2)c(=O)[n-]1)C1CCCC1 ZINC000631022841 1014908530 /nfs/dbraw/zinc/90/85/30/1014908530.db2.gz ANBRRRPNVHYZNB-CYBMUJFWSA-N -1 1 308.447 3.665 20 0 DHADMM Cc1nc(SCCOCC2CCCC2)[n-]c(=O)c1C1CC1 ZINC000631023474 1014914877 /nfs/dbraw/zinc/91/48/77/1014914877.db2.gz SKFUFPJMBBRLAM-UHFFFAOYSA-N -1 1 308.447 3.667 20 0 DHADMM O=C(Nc1c([O-])cccc1F)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000605436855 1015007438 /nfs/dbraw/zinc/00/74/38/1015007438.db2.gz MSKFITAMJPRGBA-IUCAKERBSA-N -1 1 305.271 3.839 20 0 DHADMM O=C1[N-]C(=S)SC1=Cc1ccc(Br)cc1F ZINC000002536913 1015072690 /nfs/dbraw/zinc/07/26/90/1015072690.db2.gz BLWXZMMHLGQUMO-FPYGCLRLSA-N -1 1 318.192 3.917 20 0 DHADMM C[C@@H]1CCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)[C@H](C)C1 ZINC000656756082 1015129365 /nfs/dbraw/zinc/12/93/65/1015129365.db2.gz BDGFKCWDGKQTQY-CHWSQXEVSA-N -1 1 314.385 3.660 20 0 DHADMM COc1cc(C(=O)NC[C@H]2CCC[C@H]2C2CC2)cc(Cl)c1[O-] ZINC000581654467 1015144049 /nfs/dbraw/zinc/14/40/49/1015144049.db2.gz VCXGYKHTKOMXPQ-YPMHNXCESA-N -1 1 323.820 3.610 20 0 DHADMM Cc1nc(S[C@@H](C(=O)[O-])C(C)(C)C)[nH]c1-c1ccccc1 ZINC001599965322 985893519 /nfs/dbraw/zinc/89/35/19/985893519.db2.gz ABISFDIISWYDAD-ZDUSSCGKSA-N -1 1 304.415 3.977 20 0 DHADMM Cc1cc(CSc2nc(C(F)F)cc(=O)[n-]2)cc(Cl)n1 ZINC000840208044 1015180565 /nfs/dbraw/zinc/18/05/65/1015180565.db2.gz ILEILWDBRYOKKS-UHFFFAOYSA-N -1 1 317.748 3.769 20 0 DHADMM C[C@H]1Cc2ccccc2CN1Cc1cccc(C(=O)[O-])c1Cl ZINC001594622326 986665120 /nfs/dbraw/zinc/66/51/20/986665120.db2.gz ATLITFOEVMQJFH-LBPRGKRZSA-N -1 1 315.800 3.985 20 0 DHADMM CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2Cl)cc1 ZINC001597100922 986710180 /nfs/dbraw/zinc/71/01/80/986710180.db2.gz KZYOBGAVUMXVFH-MRXNPFEDSA-N -1 1 319.788 3.654 20 0 DHADMM CCOc1cccc(CN[C@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC001597155264 986948134 /nfs/dbraw/zinc/94/81/34/986948134.db2.gz KFKSDCLYZVARGM-INIZCTEOSA-N -1 1 319.788 3.654 20 0 DHADMM CCc1ccc([C@H]2C[C@H](C)CCN2Cc2ccc(C(=O)[O-])[nH]2)o1 ZINC001597518331 988137075 /nfs/dbraw/zinc/13/70/75/988137075.db2.gz SOXHEKPAQJXIPB-MLGOLLRUSA-N -1 1 316.401 3.842 20 0 DHADMM CCOc1cc(-c2noc([C@@H]3C[C@H](C)CO3)n2)cc(Cl)c1[O-] ZINC000896205577 1015501072 /nfs/dbraw/zinc/50/10/72/1015501072.db2.gz SEUYUGRVQLNIBW-UFBFGSQYSA-N -1 1 324.764 3.592 20 0 DHADMM COc1ccccc1[C@H](CC(C)C)NCc1occc1C(=O)[O-] ZINC001599699120 991192566 /nfs/dbraw/zinc/19/25/66/991192566.db2.gz VUKLZSGNAJQZPC-HNNXBMFYSA-N -1 1 317.385 3.863 20 0 DHADMM CC(C)[C@@H](NCc1cncc(C(=O)[O-])c1)c1ccccc1Cl ZINC001591030826 991336970 /nfs/dbraw/zinc/33/69/70/991336970.db2.gz RTEVNWCRPZHRMA-MRXNPFEDSA-N -1 1 318.804 3.920 20 0 DHADMM O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1ccc([O-])c(F)c1 ZINC000684530860 1015669008 /nfs/dbraw/zinc/66/90/08/1015669008.db2.gz XEPGDZZXGQFIGE-MQMHXKEQSA-N -1 1 319.763 3.861 20 0 DHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC[C@@H]2CCC[C@H]21 ZINC000896685877 1015705313 /nfs/dbraw/zinc/70/53/13/1015705313.db2.gz KPCPXWPXWORITI-SUMWQHHRSA-N -1 1 311.381 3.656 20 0 DHADMM CN(Cc1cnc(-c2ccc(Cl)cc2)s1)C(C)(C)C(=O)[O-] ZINC001598533027 992809902 /nfs/dbraw/zinc/80/99/02/992809902.db2.gz LDPTXOBLVSGYJY-UHFFFAOYSA-N -1 1 324.833 3.759 20 0 DHADMM [O-]c1ccc(Cc2nc([C@H]3CC3(Cl)Cl)no2)cc1Cl ZINC000896815863 1015757467 /nfs/dbraw/zinc/75/74/67/1015757467.db2.gz LAMLZZGAECMWDS-SSDOTTSWSA-N -1 1 319.575 3.681 20 0 DHADMM CCc1ccc([C@H]2CCCCCN2C(=O)c2cncc([O-])c2)o1 ZINC000346412164 1015843241 /nfs/dbraw/zinc/84/32/41/1015843241.db2.gz LCVWYCRIZOFPSY-MRXNPFEDSA-N -1 1 314.385 3.700 20 0 DHADMM COc1ccc2nc(SC[C@H]3CCCC[C@@H]3C(=O)[O-])[nH]c2c1 ZINC001599635015 994274143 /nfs/dbraw/zinc/27/41/43/994274143.db2.gz MCEJLERWPLAKKV-PWSUYJOCSA-N -1 1 320.414 3.555 20 0 DHADMM COc1ccc2nc(SC[C@@H]3CCCC[C@H]3C(=O)[O-])[nH]c2c1 ZINC001599635012 994274301 /nfs/dbraw/zinc/27/43/01/994274301.db2.gz MCEJLERWPLAKKV-CMPLNLGQSA-N -1 1 320.414 3.555 20 0 DHADMM O=S(=O)([N-]c1ccc(-c2ccc[nH]2)cc1)c1ccc(F)cc1 ZINC000341924975 1015850054 /nfs/dbraw/zinc/85/00/54/1015850054.db2.gz HUPVTHWKHBWCPY-UHFFFAOYSA-N -1 1 316.357 3.622 20 0 DHADMM C[C@@H](N[C@H]1CCOc2ccc(F)cc21)c1cc(C(=O)[O-])cs1 ZINC001593233905 994394640 /nfs/dbraw/zinc/39/46/40/994394640.db2.gz UKPQIBYRWCXBMQ-RNCFNFMXSA-N -1 1 321.373 3.760 20 0 DHADMM C[C@@H](NC/C=C/c1ccc(Cl)cc1)c1ncc(C(=O)[O-])s1 ZINC001593256286 994519332 /nfs/dbraw/zinc/51/93/32/994519332.db2.gz GZXVWDSEXQQMDE-VMZHVLLKSA-N -1 1 322.817 3.859 20 0 DHADMM C[C@H](NC/C=C/c1ccc(Cl)cc1)c1ncc(C(=O)[O-])s1 ZINC001593256285 994519398 /nfs/dbraw/zinc/51/93/98/994519398.db2.gz GZXVWDSEXQQMDE-PBKGFPTLSA-N -1 1 322.817 3.859 20 0 DHADMM C[C@@H](NCc1ccc(C(=O)[O-])cn1)c1csc2ccccc21 ZINC001593296829 994699568 /nfs/dbraw/zinc/69/95/68/994699568.db2.gz QMVOICZKDFRUSH-LLVKDONJSA-N -1 1 312.394 3.845 20 0 DHADMM C[C@@H](NCc1cncc(C(=O)[O-])c1)c1ccccc1C(F)(F)F ZINC001593310848 994775411 /nfs/dbraw/zinc/77/54/11/994775411.db2.gz MIXUMMMYQYGGAW-SNVBAGLBSA-N -1 1 324.302 3.649 20 0 DHADMM C[C@H](N[C@@H](C)c1ccccc1Cl)c1cncc(C(=O)[O-])c1 ZINC001593353263 994975701 /nfs/dbraw/zinc/97/57/01/994975701.db2.gz ROOHNRXEFXWJPH-QWRGUYRKSA-N -1 1 304.777 3.845 20 0 DHADMM C[C@@H](N[C@@H]1CCCc2ccc(F)cc21)c1cc(C(=O)[O-])co1 ZINC001593354512 994992629 /nfs/dbraw/zinc/99/26/29/994992629.db2.gz SCCBXUOYGFENSZ-MEBBXXQBSA-N -1 1 303.333 3.845 20 0 DHADMM Cc1c(=O)[n-]c(S[C@H]2COC(C)(C)C2)nc1-c1ccccc1 ZINC000657257777 1016119952 /nfs/dbraw/zinc/11/99/52/1016119952.db2.gz WBEVPGNONMBLGN-CYBMUJFWSA-N -1 1 316.426 3.817 20 0 DHADMM COc1ccc(C)cc1CN[C@H](C(=O)[O-])c1ccccc1Cl ZINC001599534884 997725246 /nfs/dbraw/zinc/72/52/46/997725246.db2.gz WQUUBRNQDDFSEI-INIZCTEOSA-N -1 1 319.788 3.573 20 0 DHADMM O=C(Nc1ccc([O-])c(Cl)c1)c1cnn(CC2CCCC2)c1 ZINC000866868164 1016155301 /nfs/dbraw/zinc/15/53/01/1016155301.db2.gz FIDASPZSNIPEPM-UHFFFAOYSA-N -1 1 319.792 3.685 20 0 DHADMM COc1c(C)cccc1CNCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001599333596 997791487 /nfs/dbraw/zinc/79/14/87/997791487.db2.gz DWJZTINJUCUUTO-UHFFFAOYSA-N -1 1 319.788 3.645 20 0 DHADMM CCCCCC(C)(C)C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000084600850 1016197689 /nfs/dbraw/zinc/19/76/89/1016197689.db2.gz YLPJTWUDMKEPRI-UHFFFAOYSA-N -1 1 312.483 3.744 20 0 DHADMM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001594168246 998649465 /nfs/dbraw/zinc/64/94/65/998649465.db2.gz VASNJHFMQCJWPR-PELKAZGASA-N -1 1 321.726 3.654 20 0 DHADMM C[C@@H]1C[C@@H](c2ccccc2F)N(Cc2cccc(C(=O)[O-])n2)C1 ZINC001594269587 999041893 /nfs/dbraw/zinc/04/18/93/999041893.db2.gz KRVOOMVIPKSMCA-PXAZEXFGSA-N -1 1 314.360 3.502 20 0 DHADMM C[C@@H]1CCN(Cc2[nH]cc(C(=O)[O-])c2C2CC2)[C@@H]2CCCC[C@H]12 ZINC001594423526 999581344 /nfs/dbraw/zinc/58/13/44/999581344.db2.gz YLKMOMRAQSYHHB-SUYBPPKGSA-N -1 1 316.445 3.991 20 0 DHADMM O=C(N[C@@H]1C[C@H]1c1cccc2ccccc21)c1ccc([O-])c(F)c1 ZINC000684757603 1016381545 /nfs/dbraw/zinc/38/15/45/1016381545.db2.gz FIFUSSRIBIYIRJ-FUHWJXTLSA-N -1 1 321.351 3.970 20 0 DHADMM Cc1cc(C)nc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC000622454979 1016412214 /nfs/dbraw/zinc/41/22/14/1016412214.db2.gz ACLJUXOTVCXZHG-UHFFFAOYSA-N -1 1 310.275 3.675 20 0 DHADMM CC(C)[C@@H](NC(=O)c1cncc([O-])c1)c1ccc(Cl)cc1F ZINC000622499282 1016427793 /nfs/dbraw/zinc/42/77/93/1016427793.db2.gz RDOMNQKEDPHKNG-OAHLLOKOSA-N -1 1 322.767 3.707 20 0 DHADMM CC(C)c1scnc1[N-]C(=O)c1cc(-c2ccccn2)no1 ZINC000346513033 1016433959 /nfs/dbraw/zinc/43/39/59/1016433959.db2.gz XYAMGKLACCDAKC-UHFFFAOYSA-N -1 1 314.370 3.569 20 0 DHADMM O=C(NCc1cc(C2CC2)ccc1F)c1c(F)ccc([O-])c1F ZINC000622629088 1016493475 /nfs/dbraw/zinc/49/34/75/1016493475.db2.gz ZASAHILKTWAFLT-UHFFFAOYSA-N -1 1 321.298 3.617 20 0 DHADMM Cc1ccc(CC(C)(C)NC(=O)c2c([O-])cccc2F)cc1 ZINC000622720958 1016532813 /nfs/dbraw/zinc/53/28/13/1016532813.db2.gz WKQZQSYMFQOFID-UHFFFAOYSA-N -1 1 301.361 3.591 20 0 DHADMM CC1(C)CCC[C@H]([N-]S(=O)(=O)c2sccc2Cl)C1 ZINC001211542696 1016627587 /nfs/dbraw/zinc/62/75/87/1016627587.db2.gz HGCZLUTZGJLJBJ-VIFPVBQESA-N -1 1 307.868 3.649 20 0 DHADMM COc1ccccc1NC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000684869665 1016743134 /nfs/dbraw/zinc/74/31/34/1016743134.db2.gz XAMAPXHHGAGHOQ-UHFFFAOYSA-N -1 1 311.259 3.672 20 0 DHADMM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(C(F)(F)F)c([O-])c2)C1 ZINC000684869195 1016748992 /nfs/dbraw/zinc/74/89/92/1016748992.db2.gz OZDZUCWRYMLJFD-NXEZZACHSA-N -1 1 301.308 3.529 20 0 DHADMM CN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)c1ccc(F)cc1 ZINC000684872944 1016758634 /nfs/dbraw/zinc/75/86/34/1016758634.db2.gz MKBIBBJRMISNDS-UHFFFAOYSA-N -1 1 313.250 3.827 20 0 DHADMM O=C(Nc1nc2ccccc2n1C1CCCC1)c1ccc([O-])cn1 ZINC001147330642 1032299296 /nfs/dbraw/zinc/29/92/96/1032299296.db2.gz ACAKEBLVRMPCIK-UHFFFAOYSA-N -1 1 322.368 3.504 20 0 DHADMM CC(C)CCCCNC(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC001147483966 1032318103 /nfs/dbraw/zinc/31/81/03/1032318103.db2.gz DVJXNHLBOBDGQA-UHFFFAOYSA-N -1 1 303.324 3.967 20 0 DHADMM CC[C@@H]1CC[C@@H](C)N(C(=O)c2ccc3ccc(O)cc3c2[O-])C1 ZINC001147547758 1032319792 /nfs/dbraw/zinc/31/97/92/1032319792.db2.gz YPYREPZPIIDVQS-CHWSQXEVSA-N -1 1 313.397 3.902 20 0 DHADMM Cc1cc(C)c(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cn1 ZINC001148790502 1032441007 /nfs/dbraw/zinc/44/10/07/1032441007.db2.gz MVSFHBIIUIMIDY-UHFFFAOYSA-N -1 1 310.275 3.675 20 0 DHADMM O=C(c1cccc(-c2ccccc2)c1[O-])N1CCn2cccc2C1 ZINC001148866693 1032449263 /nfs/dbraw/zinc/44/92/63/1032449263.db2.gz NEGKMFWRAHUGME-UHFFFAOYSA-N -1 1 318.376 3.517 20 0 DHADMM O=C(Nc1ccc2oncc2c1)c1ccc(C(F)(F)F)cc1[O-] ZINC001148800315 1032446316 /nfs/dbraw/zinc/44/63/16/1032446316.db2.gz DEFIFJQUEPYAIJ-UHFFFAOYSA-N -1 1 322.242 3.805 20 0 DHADMM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc([O-])cc2F)C1(CC)CC ZINC001148988074 1032456335 /nfs/dbraw/zinc/45/63/35/1032456335.db2.gz NISNPKDEBYLUBF-JKSUJKDBSA-N -1 1 323.408 3.587 20 0 DHADMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(Cl)c2C)c1 ZINC000121646627 1032461208 /nfs/dbraw/zinc/46/12/08/1032461208.db2.gz HHBFIDCMUBUONT-UHFFFAOYSA-N -1 1 318.760 3.565 20 0 DHADMM C[C@H]1CCCN(Cc2cnc(-c3ccsc3)s2)[C@@H]1C(=O)[O-] ZINC000424417350 1012022261 /nfs/dbraw/zinc/02/22/61/1012022261.db2.gz LRAOARUSIWLUAE-GWCFXTLKSA-N -1 1 322.455 3.557 20 0 DHADMM CC(C)c1c(Cc2ccccc2)[n-]n(C2CCSCC2)c1=O ZINC000887293154 1032603187 /nfs/dbraw/zinc/60/31/87/1032603187.db2.gz UHXDQNWWTLFSHM-KRWDZBQOSA-N -1 1 316.470 3.595 20 0 DHADMM CCc1c(=O)n(-c2cc(Cl)nc3ncccc23)[n-]c1C(C)C ZINC000887296999 1032606929 /nfs/dbraw/zinc/60/69/29/1032606929.db2.gz QGCHHGSJPUULTB-JTQLQIEISA-N -1 1 316.792 3.668 20 0 DHADMM Cc1ccc(NC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)c(C)c1 ZINC001202748609 1032646393 /nfs/dbraw/zinc/64/63/93/1032646393.db2.gz RDZVMOPXEJQHCU-UHFFFAOYSA-N -1 1 322.368 3.839 20 0 DHADMM O=C([N-][C@@H](C(F)F)C1CCCCC1)C(F)(F)c1nccs1 ZINC000857695991 1032659303 /nfs/dbraw/zinc/65/93/03/1032659303.db2.gz VAOWROUVOISQAA-SECBINFHSA-N -1 1 324.343 3.565 20 0 DHADMM CC(C)N(C)c1ccc(NC(=O)c2ccc(F)c([O-])c2)cc1F ZINC001626300558 1012838339 /nfs/dbraw/zinc/83/83/39/1012838339.db2.gz WOTGFSCWPUAXBD-UHFFFAOYSA-N -1 1 320.339 3.767 20 0 DHADMM O=C(c1cncc([O-])c1)N(Cc1ccsc1)c1ccccc1 ZINC000339821795 1012894114 /nfs/dbraw/zinc/89/41/14/1012894114.db2.gz QJVJJNLCZWNNPL-UHFFFAOYSA-N -1 1 310.378 3.696 20 0 DHADMM CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1ccc([O-])cc1F ZINC000517065918 1012899585 /nfs/dbraw/zinc/89/95/85/1012899585.db2.gz PJSDGYSXWDRGAI-GFCCVEGCSA-N -1 1 317.360 3.810 20 0 DHADMM O=C(Nc1ccc(Cl)cc1[O-])c1ccc(C(F)(F)F)cn1 ZINC000339007437 1032683824 /nfs/dbraw/zinc/68/38/24/1032683824.db2.gz QDOPQHIKSMIANT-UHFFFAOYSA-N -1 1 316.666 3.712 20 0 DHADMM CCOc1cc(C(=O)Nc2cnccc2CC)cc(Cl)c1[O-] ZINC000652894046 1017182646 /nfs/dbraw/zinc/18/26/46/1017182646.db2.gz HFRQDHVOJYSUGV-UHFFFAOYSA-N -1 1 320.776 3.654 20 0 DHADMM CC(C)c1cccnc1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC000866922214 1017353341 /nfs/dbraw/zinc/35/33/41/1017353341.db2.gz SQAGLRRLSUATSQ-UHFFFAOYSA-N -1 1 304.777 3.745 20 0 DHADMM O=C([O-])C[C@@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1 ZINC000038027511 1017518678 /nfs/dbraw/zinc/51/86/78/1017518678.db2.gz SGDPXGBVFRDJFA-NSHDSACASA-N -1 1 302.201 3.823 20 0 DHADMM COc1nc(C(=O)[N-]c2ccccc2SC2CCCC2)co1 ZINC000623980961 1017620905 /nfs/dbraw/zinc/62/09/05/1017620905.db2.gz WBORKAQFNVOWBB-UHFFFAOYSA-N -1 1 318.398 3.970 20 0 DHADMM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1Cl ZINC000181204897 1017730589 /nfs/dbraw/zinc/73/05/89/1017730589.db2.gz MICMEUGHPDECBR-UHFFFAOYSA-N -1 1 323.801 3.652 20 0 DHADMM COCc1ccc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc1 ZINC000445447527 1017865353 /nfs/dbraw/zinc/86/53/53/1017865353.db2.gz HWVPNPOHPSTJBB-UHFFFAOYSA-N -1 1 316.744 3.909 20 0 DHADMM C[C@@H](c1nc(-c2ccc([O-])c(F)c2)no1)c1ccccc1F ZINC000445477058 1017875767 /nfs/dbraw/zinc/87/57/67/1017875767.db2.gz AKMGNUQFRKCLIM-SECBINFHSA-N -1 1 302.280 3.872 20 0 DHADMM COc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)ccc1Cl ZINC000445477201 1017877206 /nfs/dbraw/zinc/87/72/06/1017877206.db2.gz MPEXTBKPKYYEEJ-UHFFFAOYSA-N -1 1 320.707 3.910 20 0 DHADMM CCCS(=O)(=O)[N-]c1ccc(Cl)cc1C(F)(F)F ZINC000070237915 1017975318 /nfs/dbraw/zinc/97/53/18/1017975318.db2.gz LEILEFPFNLFFTQ-UHFFFAOYSA-N -1 1 301.717 3.511 20 0 DHADMM O=C([O-])c1coc(CNCc2cccc(-c3ccccc3)c2)c1 ZINC000426687834 1018042940 /nfs/dbraw/zinc/04/29/40/1018042940.db2.gz MMRCZPNZJXIYKH-UHFFFAOYSA-N -1 1 307.349 3.935 20 0 DHADMM Cc1ccc(NC(=O)c2cncc([O-])c2)cc1OCCC(C)C ZINC000524610919 1018047639 /nfs/dbraw/zinc/04/76/39/1018047639.db2.gz NZJDQTRHTJWAHA-UHFFFAOYSA-N -1 1 314.385 3.773 20 0 DHADMM CSCc1ccccc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000184033048 1018056754 /nfs/dbraw/zinc/05/67/54/1018056754.db2.gz INWLEEWIEDAGKP-UHFFFAOYSA-N -1 1 321.467 3.967 20 0 DHADMM COc1cc(C(=O)N2C[C@@H](C)CCC[C@H]2C)cc(Cl)c1[O-] ZINC000153886887 1018061583 /nfs/dbraw/zinc/06/15/83/1018061583.db2.gz ZFYGEVIQTDDLJP-WDEREUQCSA-N -1 1 311.809 3.705 20 0 DHADMM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2ncccc2[O-])o1 ZINC000153923017 1018083021 /nfs/dbraw/zinc/08/30/21/1018083021.db2.gz QXCAEAYJWRHQLL-GXTWGEPZSA-N -1 1 314.385 3.556 20 0 DHADMM CC(C)Oc1ccc(CNCc2ccc(C(=O)[O-])cc2F)cc1 ZINC000901755543 1018107179 /nfs/dbraw/zinc/10/71/79/1018107179.db2.gz OBUIPUCTPNVNHA-UHFFFAOYSA-N -1 1 317.360 3.601 20 0 DHADMM Cc1noc(C2CC2)c1[N-]C(=O)c1cc(F)c(F)c(F)c1F ZINC000154142979 1018122197 /nfs/dbraw/zinc/12/21/97/1018122197.db2.gz FHZQSPZSPUUQQG-UHFFFAOYSA-N -1 1 314.238 3.669 20 0 DHADMM CCCc1ccc(S(=O)(=O)[N-]c2[nH]nc(C(C)C)c2C)cc1 ZINC000647279029 1018172946 /nfs/dbraw/zinc/17/29/46/1018172946.db2.gz CKZDZRRLGHFFHE-UHFFFAOYSA-N -1 1 321.446 3.595 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2cc(C)cc(OC)c2C)cc1 ZINC000447262280 1018359754 /nfs/dbraw/zinc/35/97/54/1018359754.db2.gz CVKARYOZJBNTLS-UHFFFAOYSA-N -1 1 319.426 3.675 20 0 DHADMM [O-]c1c(Cl)cc(Cl)cc1Nc1cnn([C@H]2CCOC2)c1 ZINC001205197787 1018465278 /nfs/dbraw/zinc/46/52/78/1018465278.db2.gz ABRXJAURRCNPLO-JTQLQIEISA-N -1 1 314.172 3.601 20 0 DHADMM Cc1ncc(Cl)cc1-c1noc(-c2cc([O-])cnc2Cl)n1 ZINC001213697622 1018487521 /nfs/dbraw/zinc/48/75/21/1018487521.db2.gz ASHITHZPMJZKHN-UHFFFAOYSA-N -1 1 323.139 3.514 20 0 DHADMM C[C@H](CC(C)(C)C)NC(=O)c1ccc(Br)c([O-])c1 ZINC000384560153 1018488464 /nfs/dbraw/zinc/48/84/64/1018488464.db2.gz RXVIKBMJTLFXNB-SECBINFHSA-N -1 1 314.223 3.709 20 0 DHADMM CSc1ccccc1[N-]C(=O)c1ncoc1[C@@H]1CCCO1 ZINC000114999716 1018499319 /nfs/dbraw/zinc/49/93/19/1018499319.db2.gz AXMGQYGUPUSYJR-NSHDSACASA-N -1 1 304.371 3.500 20 0 DHADMM CC[C@@H]1CC[C@H](C)N1C(=O)c1ccc(Br)cc1[O-] ZINC000127574284 1018505974 /nfs/dbraw/zinc/50/59/74/1018505974.db2.gz MYNBBRAJIJNLOE-GXSJLCMTSA-N -1 1 312.207 3.558 20 0 DHADMM CC(C)Oc1ncc(C(=O)Nc2ccc(F)cc2[O-])cc1Cl ZINC000676055417 1018650647 /nfs/dbraw/zinc/65/06/47/1018650647.db2.gz ISOMOAVHUVFCKK-UHFFFAOYSA-N -1 1 324.739 3.619 20 0 DHADMM CC(=O)c1ccsc1[N-]C(=O)c1scnc1C(F)(F)F ZINC001129238791 1018782168 /nfs/dbraw/zinc/78/21/68/1018782168.db2.gz IJDOFSSVLRAYAC-UHFFFAOYSA-N -1 1 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/nfs/dbraw/zinc/83/31/28/1032833128.db2.gz DNOCZOPFOVWMIA-UHFFFAOYSA-N -1 1 310.737 3.980 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000091685403 1019477754 /nfs/dbraw/zinc/47/77/54/1019477754.db2.gz FVSBBJBXKODUAQ-CQSZACIVSA-N -1 1 305.736 3.772 20 0 DHADMM C[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)CC[C@H]1C(=O)[O-] ZINC000311510117 1019560851 /nfs/dbraw/zinc/56/08/51/1019560851.db2.gz BWYFIMDZSGXMFK-MWLCHTKSSA-N -1 1 302.201 3.536 20 0 DHADMM O=C(CSc1ncccc1Br)c1ccc([O-])cc1 ZINC000079445947 1019732618 /nfs/dbraw/zinc/73/26/18/1019732618.db2.gz XPIPCTPASUFOSA-UHFFFAOYSA-N -1 1 324.199 3.525 20 0 DHADMM CCOc1ccc([C@H](C)NC(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000685416136 1019802830 /nfs/dbraw/zinc/80/28/30/1019802830.db2.gz YJAQJTVDQJEYRP-JTQLQIEISA-N -1 1 321.323 3.560 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H]2C[C@@H]2C(C)C)c1 ZINC000477491467 1032854477 /nfs/dbraw/zinc/85/44/77/1032854477.db2.gz FMDUHRQDTNJJAZ-ZJUUUORDSA-N -1 1 312.207 3.694 20 0 DHADMM CC(C)(CCNC(=O)c1c(F)ccc([O-])c1F)c1ccccc1 ZINC000685425685 1019811823 /nfs/dbraw/zinc/81/18/23/1019811823.db2.gz ZFRSRWBXVWAXOL-UHFFFAOYSA-N -1 1 319.351 3.768 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCc2ccccc2CC1 ZINC000116071337 1019825480 /nfs/dbraw/zinc/82/54/80/1019825480.db2.gz XPLXQHRDDKQKFQ-UHFFFAOYSA-N -1 1 317.388 3.786 20 0 DHADMM O=S(=O)([N-]c1cc(F)cc(F)c1)c1ccc2c(c1)CCCC2 ZINC000028781267 1019908917 /nfs/dbraw/zinc/90/89/17/1019908917.db2.gz KPIHQPMCZQCEEN-UHFFFAOYSA-N -1 1 323.364 3.644 20 0 DHADMM C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])Cc2ccccc21 ZINC000922252746 1019932209 /nfs/dbraw/zinc/93/22/09/1019932209.db2.gz LYXWERJHFKGJLB-LLVKDONJSA-N -1 1 301.773 3.805 20 0 DHADMM CCCc1cc(=O)[n-]c(SCc2ccn(C3CCCC3)n2)n1 ZINC000477551126 1032864747 /nfs/dbraw/zinc/86/47/47/1032864747.db2.gz KFURYAYIRLKDAP-UHFFFAOYSA-N -1 1 318.446 3.739 20 0 DHADMM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1cc(Cl)ccc1Cl ZINC000235358885 1020167958 /nfs/dbraw/zinc/16/79/58/1020167958.db2.gz CGUBTKLYPRKIJV-NXEZZACHSA-N -1 1 302.201 3.679 20 0 DHADMM CC(C)(C)CC[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000030372097 1020169893 /nfs/dbraw/zinc/16/98/93/1020169893.db2.gz NWXSCCBOQJVFJF-UHFFFAOYSA-N -1 1 316.275 3.769 20 0 DHADMM Cc1noc(C)c1CCCNC(=O)c1ccc2ccccc2c1[O-] ZINC000084811361 1020205086 /nfs/dbraw/zinc/20/50/86/1020205086.db2.gz ALOHKWLDGWSLCR-UHFFFAOYSA-N -1 1 324.380 3.513 20 0 DHADMM COc1ccc(-c2n[nH]cc2C=CC(=O)c2ccc([O-])cc2)cc1 ZINC000054215986 1020309350 /nfs/dbraw/zinc/30/93/50/1020309350.db2.gz BTCUOLKFWJBDLE-WDZFZDKYSA-N -1 1 320.348 3.687 20 0 DHADMM Cc1cc2cc([N-]S(=O)(=O)c3cc(F)ccc3C)ccc2[nH]1 ZINC000055585342 1020452197 /nfs/dbraw/zinc/45/21/97/1020452197.db2.gz BHPVPMFDNVOMGR-UHFFFAOYSA-N -1 1 318.373 3.725 20 0 DHADMM O=c1nc(N2CCC[C@@H]2CCCc2ccccc2)cc(Cl)[n-]1 ZINC000858451520 1032903646 /nfs/dbraw/zinc/90/36/46/1032903646.db2.gz YSGYYQCEMPRSCU-AWEZNQCLSA-N -1 1 317.820 3.827 20 0 DHADMM CCO[C@@H](c1nc(-c2ccc([O-])c(F)c2)no1)C1CCCC1 ZINC000866975799 1020483976 /nfs/dbraw/zinc/48/39/76/1020483976.db2.gz CPLYDNGBPNZNHT-CQSZACIVSA-N -1 1 306.337 3.849 20 0 DHADMM Cc1ccc(C[C@@H](C)NC(=O)c2c([O-])cccc2Cl)s1 ZINC000738545492 1020877887 /nfs/dbraw/zinc/87/78/87/1020877887.db2.gz GPYUNENNOTYSKN-SECBINFHSA-N -1 1 309.818 3.777 20 0 DHADMM Cc1ccc(/C=C\S(=O)(=O)[N-]c2cc(Cl)ccc2O)cc1 ZINC000740811478 1020953062 /nfs/dbraw/zinc/95/30/62/1020953062.db2.gz JVQQFYLLWFUXDO-HJWRWDBZSA-N -1 1 323.801 3.767 20 0 DHADMM O=C(c1cccc([O-])c1F)N1CCC[C@](F)(c2ccccc2)C1 ZINC001171943811 1032947970 /nfs/dbraw/zinc/94/79/70/1032947970.db2.gz FCHSULTVMBQHPU-GOSISDBHSA-N -1 1 317.335 3.632 20 0 DHADMM Cc1cccc(NC(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001202306643 1021196402 /nfs/dbraw/zinc/19/64/02/1021196402.db2.gz KMTHFIRPXHJXPL-UHFFFAOYSA-N -1 1 308.341 3.530 20 0 DHADMM COc1ccc2oc(C(=O)Nc3c([O-])cccc3F)c(C)c2c1 ZINC000743417659 1021290631 /nfs/dbraw/zinc/29/06/31/1021290631.db2.gz ZUEIKXAKDLTDSW-UHFFFAOYSA-N -1 1 315.300 3.847 20 0 DHADMM O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1c([O-])cccc1F ZINC000743415605 1021290977 /nfs/dbraw/zinc/29/09/77/1021290977.db2.gz INWHEGHNMXRQNL-UHFFFAOYSA-N -1 1 318.735 3.847 20 0 DHADMM CCO[C@@H]1C[C@@H](NC(=O)c2c([O-])cccc2Cl)C12CCCC2 ZINC000743790628 1021365667 /nfs/dbraw/zinc/36/56/67/1021365667.db2.gz CXABWFOBBMIJOF-ZIAGYGMSSA-N -1 1 323.820 3.513 20 0 DHADMM COc1cccc(CSc2nc(C)c(C3CC3)c(=O)[n-]2)c1C ZINC000918462436 1021526847 /nfs/dbraw/zinc/52/68/47/1021526847.db2.gz HISBPJQJQUOZRF-UHFFFAOYSA-N -1 1 316.426 3.977 20 0 DHADMM Cc1cc(C)cc([C@H]2CCN(C(=O)c3cc(F)ccc3[O-])C2)c1 ZINC000181955186 1021536890 /nfs/dbraw/zinc/53/68/90/1021536890.db2.gz LXYMRWGPNSQWNQ-AWEZNQCLSA-N -1 1 313.372 3.778 20 0 DHADMM COCc1ccccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC000129755780 1021572291 /nfs/dbraw/zinc/57/22/91/1021572291.db2.gz TWXPGEHCVVJPDQ-UHFFFAOYSA-N -1 1 307.349 3.944 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)c2c(C)oc(C)c2C)c1 ZINC000744599441 1021581324 /nfs/dbraw/zinc/58/13/24/1021581324.db2.gz VJVBRFDQLMKNEL-UHFFFAOYSA-N -1 1 316.353 3.513 20 0 DHADMM Cc1cccc(OCCC(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000070286535 1021595735 /nfs/dbraw/zinc/59/57/35/1021595735.db2.gz WGCDHGJRLUJBNG-UHFFFAOYSA-N -1 1 305.761 3.762 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C=C(C)c2ccccc2)c1 ZINC000744827335 1021610056 /nfs/dbraw/zinc/61/00/56/1021610056.db2.gz CKBOCQCGATYWRA-OWBHPGMISA-N -1 1 324.376 3.784 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C[C@H](C)CC(C)C)c1 ZINC000744942140 1021627784 /nfs/dbraw/zinc/62/77/84/1021627784.db2.gz QGWKANFQSCGCEI-CYBMUJFWSA-N -1 1 306.402 3.753 20 0 DHADMM CSc1ccc([O-])c(C(=O)Nc2cnn([C@@H](C)C3CC3)c2)c1 ZINC000613668701 1021680561 /nfs/dbraw/zinc/68/05/61/1021680561.db2.gz AYPLXKDJXYXFOV-JTQLQIEISA-N -1 1 317.414 3.534 20 0 DHADMM O=C(CCSCc1ccccc1)Nc1c([O-])cccc1F ZINC000619385386 1021749252 /nfs/dbraw/zinc/74/92/52/1021749252.db2.gz QWYMYLUEOIPBSX-UHFFFAOYSA-N -1 1 305.374 3.793 20 0 DHADMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H](CC(C)C)c1ccc(Cl)cc1 ZINC000615228581 1021765746 /nfs/dbraw/zinc/76/57/46/1021765746.db2.gz MCYRPKOLPIFSFB-CYBMUJFWSA-N -1 1 321.808 3.846 20 0 DHADMM C=CCOc1ccccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182876294 1021835056 /nfs/dbraw/zinc/83/50/56/1021835056.db2.gz FXJIFORIHMPFDH-UHFFFAOYSA-N -1 1 303.745 3.863 20 0 DHADMM CCO[C@@H]1C[C@@H](NC(=O)c2cc(Cl)ccc2[O-])C12CCCC2 ZINC001137104065 1033009591 /nfs/dbraw/zinc/00/95/91/1033009591.db2.gz BOLUNFYWCGPMKN-HUUCEWRRSA-N -1 1 323.820 3.513 20 0 DHADMM C[C@@]1(C(=O)Nc2cc([O-])c(F)cc2F)CCCc2ccccc21 ZINC001625893343 1021975343 /nfs/dbraw/zinc/97/53/43/1021975343.db2.gz GYOPIQLLOKOYQR-GOSISDBHSA-N -1 1 317.335 3.903 20 0 DHADMM CC(=O)c1cc(F)c([N-]C(=O)c2ncoc2C(C)C)c(F)c1 ZINC000777066759 1033020914 /nfs/dbraw/zinc/02/09/14/1033020914.db2.gz NLVYGJDHDBZZPR-UHFFFAOYSA-N -1 1 308.284 3.531 20 0 DHADMM Cc1nc2cc([N-]S(=O)(=O)c3cccc(C)c3)ccc2s1 ZINC000033897839 1022037086 /nfs/dbraw/zinc/03/70/86/1022037086.db2.gz IXQYWGVHEFRRRA-UHFFFAOYSA-N -1 1 318.423 3.714 20 0 DHADMM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000263336249 1022050004 /nfs/dbraw/zinc/05/00/04/1022050004.db2.gz MNNIOVXQOKGHDR-ONGXEEELSA-N -1 1 302.201 3.536 20 0 DHADMM CC(C)Oc1ccc(CNC(=O)c2c([O-])cccc2Cl)cc1 ZINC000920444823 1022122034 /nfs/dbraw/zinc/12/20/34/1022122034.db2.gz HQASTWNGYUCXHX-UHFFFAOYSA-N -1 1 319.788 3.763 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c(F)c1 ZINC000405006630 1022229007 /nfs/dbraw/zinc/22/90/07/1022229007.db2.gz YQPRVLBZTJYYCJ-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM Cc1ccc(CC(C)(C)NC(=O)c2ccc([O-])cc2F)cc1 ZINC000416279387 1022234211 /nfs/dbraw/zinc/23/42/11/1022234211.db2.gz BILKQZVGNIPBLD-UHFFFAOYSA-N -1 1 301.361 3.591 20 0 DHADMM Cc1nc(-c2ccc(NCCCC(C)(C)C)nc2)[n-]c(=O)c1C ZINC000078297259 1022309242 /nfs/dbraw/zinc/30/92/42/1022309242.db2.gz XHSMQNIBKRXKBD-UHFFFAOYSA-N -1 1 314.433 3.687 20 0 DHADMM O=C(Nc1ccc(Oc2ccncc2)cc1)c1ccc([O-])cc1F ZINC000154841021 1022337103 /nfs/dbraw/zinc/33/71/03/1022337103.db2.gz MXUAFTAEBRYULC-UHFFFAOYSA-N -1 1 324.311 3.971 20 0 DHADMM CC(C)C[C@H](C)OCCC(=O)Nc1cc(F)c([O-])cc1Cl ZINC000885675782 1022443805 /nfs/dbraw/zinc/44/38/05/1022443805.db2.gz ARADNTAERUFOJC-JTQLQIEISA-N -1 1 317.788 3.965 20 0 DHADMM O=C([N-]c1ccncc1F)c1cc(-c2cccc(Cl)c2)no1 ZINC000156457610 1022465857 /nfs/dbraw/zinc/46/58/57/1022465857.db2.gz XCPBQTVHVULMSD-UHFFFAOYSA-N -1 1 317.707 3.781 20 0 DHADMM CC(C)c1ccc([C@@H](C)CC(=O)[N-]OCC(F)(F)F)cc1 ZINC000766762697 1022470309 /nfs/dbraw/zinc/47/03/09/1022470309.db2.gz OJVZWXKMKRQBIM-NSHDSACASA-N -1 1 303.324 3.914 20 0 DHADMM C[C@@H](C(=O)[N-]OCC(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000766765223 1022485624 /nfs/dbraw/zinc/48/56/24/1022485624.db2.gz MRKPUBANXAKHDT-ZCFIWIBFSA-N -1 1 316.106 3.707 20 0 DHADMM CCn1nc(C(=O)Nc2cc(F)c([O-])cc2Cl)cc1C1CC1 ZINC000885682677 1022514880 /nfs/dbraw/zinc/51/48/80/1022514880.db2.gz UMEQEANNOSGJCS-UHFFFAOYSA-N -1 1 323.755 3.531 20 0 DHADMM O=C(OCSc1nc(C2CC2)cc(=O)[n-]1)OC1CCCCC1 ZINC000767088899 1022643304 /nfs/dbraw/zinc/64/33/04/1022643304.db2.gz UVQNSZYDHXWEAV-UHFFFAOYSA-N -1 1 324.402 3.595 20 0 DHADMM Cc1cc(C)nc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)c1 ZINC000162365271 1022649612 /nfs/dbraw/zinc/64/96/12/1022649612.db2.gz SHSHGAYHDGOKGW-BQYQJAHWSA-N -1 1 322.817 3.764 20 0 DHADMM CN(C(=O)c1cncc([O-])c1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000616328724 1022691396 /nfs/dbraw/zinc/69/13/96/1022691396.db2.gz NVGNRPMJLSYARR-ZWKOTPCHSA-N -1 1 310.397 3.586 20 0 DHADMM CN(C(=O)c1ncccc1[O-])[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000616328293 1022691480 /nfs/dbraw/zinc/69/14/80/1022691480.db2.gz IXNOBJIQICPIGI-JKSUJKDBSA-N -1 1 310.397 3.586 20 0 DHADMM CCc1ccc(CN[C@@H](Cc2cccc3ccccc32)C(=O)[O-])o1 ZINC000417584308 1022794782 /nfs/dbraw/zinc/79/47/82/1022794782.db2.gz MMHUZXACYYOPJD-IBGZPJMESA-N -1 1 323.392 3.781 20 0 DHADMM CC(=O)c1ccc([O-])c(CCOC(=O)C[C@@H]2CCC[C@@H]2C)c1 ZINC000769173135 1023098043 /nfs/dbraw/zinc/09/80/43/1023098043.db2.gz CBEYEHHRWOESDY-JSGCOSHPSA-N -1 1 304.386 3.507 20 0 DHADMM CCC(CC)n1nc(C)cc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000194584941 1023176592 /nfs/dbraw/zinc/17/65/92/1023176592.db2.gz BRQPQJVSYGNVDZ-UHFFFAOYSA-N -1 1 322.796 3.559 20 0 DHADMM O=C(N[C@@H](c1ccccc1)C1CC1)c1c([O-])cccc1Cl ZINC000769636755 1023184618 /nfs/dbraw/zinc/18/46/18/1023184618.db2.gz IGZXBUZDEADADZ-INIZCTEOSA-N -1 1 301.773 3.927 20 0 DHADMM O=C(N[C@@H](c1cccs1)C1CC1)c1c([O-])cccc1Cl ZINC000769655385 1023192951 /nfs/dbraw/zinc/19/29/51/1023192951.db2.gz ZOOAZBLJUKVJQM-CQSZACIVSA-N -1 1 307.802 3.988 20 0 DHADMM C[C@H]1CN(C(=O)c2c([O-])cccc2Cl)[C@H]1c1ccccc1 ZINC000769922844 1023248586 /nfs/dbraw/zinc/24/85/86/1023248586.db2.gz MOANIGKYSLGIOB-MEDUHNTESA-N -1 1 301.773 3.879 20 0 DHADMM CC(C)(C)Oc1cccc(C(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000626227833 1023299918 /nfs/dbraw/zinc/29/99/18/1023299918.db2.gz JINKCZNBMTWATO-UHFFFAOYSA-N -1 1 320.776 3.870 20 0 DHADMM [O-]c1ccc(-c2noc(/C=C\c3ccccc3F)n2)cc1F ZINC000771222490 1023412241 /nfs/dbraw/zinc/41/22/41/1023412241.db2.gz PRNRZAKAFNKNRJ-VURMDHGXSA-N -1 1 300.264 3.891 20 0 DHADMM COc1ccc(C(=O)Nc2cc(C(C)C)c(O)cc2C)c([O-])c1 ZINC000093096152 1023436149 /nfs/dbraw/zinc/43/61/49/1023436149.db2.gz HRYVVOZPQWBVTP-UHFFFAOYSA-N -1 1 315.369 3.791 20 0 DHADMM CC12CC3(C)CC(C)(C1)CC(C(=O)[N-]O[C@H]1CCCCO1)(C2)C3 ZINC000772656373 1023583440 /nfs/dbraw/zinc/58/34/40/1023583440.db2.gz NUQBONXTEGOKQF-DHBQWTBNSA-N -1 1 321.461 3.948 20 0 DHADMM CCCC(C)(C)CC(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000787087857 1023755251 /nfs/dbraw/zinc/75/52/51/1023755251.db2.gz HRQJUKNGDANEHI-UHFFFAOYSA-N -1 1 318.369 3.758 20 0 DHADMM CCCC(C)(C)CC(=O)OCCc1cc(C(C)=O)ccc1[O-] ZINC000787085203 1023755987 /nfs/dbraw/zinc/75/59/87/1023755987.db2.gz XWWYUZKDWJVGJW-UHFFFAOYSA-N -1 1 306.402 3.897 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2F)c(F)c1 ZINC000048653205 1023802535 /nfs/dbraw/zinc/80/25/35/1023802535.db2.gz RCRDBEDDCQSDAX-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM O=C(c1cncc([O-])c1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000133834051 1033163288 /nfs/dbraw/zinc/16/32/88/1033163288.db2.gz RJJPKGKBPYQZIV-GOSISDBHSA-N -1 1 321.380 3.636 20 0 DHADMM C[C@@H](SCc1ccccc1)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000788159533 1023858802 /nfs/dbraw/zinc/85/88/02/1023858802.db2.gz ZBXQDTHRZVFNOE-SNVBAGLBSA-N -1 1 322.817 3.701 20 0 DHADMM C[C@@H]1CN(Cc2c(Cl)cccc2Cl)CC[C@@H]1C(=O)[O-] ZINC000302477233 1023939393 /nfs/dbraw/zinc/93/93/93/1023939393.db2.gz GXYCCUBXOWNDLE-ZJUUUORDSA-N -1 1 302.201 3.536 20 0 DHADMM C[C@H](CCOC(=O)c1ccc([O-])cc1F)OCc1ccccc1 ZINC000789083181 1023990360 /nfs/dbraw/zinc/99/03/60/1023990360.db2.gz WESZEKQSXFQNQU-CYBMUJFWSA-N -1 1 318.344 3.684 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)CCCC2CC2)c1 ZINC000643240417 1024079736 /nfs/dbraw/zinc/07/97/36/1024079736.db2.gz BRBFVMSBNJJKAJ-UHFFFAOYSA-N -1 1 312.207 3.982 20 0 DHADMM C[C@H](CC(=O)Nc1nc(Cl)ccc1[O-])c1ccc(F)cc1 ZINC000789930189 1024185054 /nfs/dbraw/zinc/18/50/54/1024185054.db2.gz GQWJTCXUFIERFG-SECBINFHSA-N -1 1 308.740 3.712 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])[C@H]1CCSc2ccccc21 ZINC000790047744 1024212878 /nfs/dbraw/zinc/21/28/78/1024212878.db2.gz NVYSTKSPPVUITL-JTQLQIEISA-N -1 1 320.801 3.659 20 0 DHADMM CCSCc1ccccc1C(=O)Nc1nc(Cl)ccc1[O-] ZINC000790051144 1024214348 /nfs/dbraw/zinc/21/43/48/1024214348.db2.gz MEUQGZZNCGFDML-UHFFFAOYSA-N -1 1 322.817 3.946 20 0 DHADMM O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1[O-] ZINC000531756307 1024302259 /nfs/dbraw/zinc/30/22/59/1024302259.db2.gz KBTNDRSQSMJYAB-UHFFFAOYSA-N -1 1 313.250 3.731 20 0 DHADMM [O-]c1ccc(-c2noc(CC3CC(F)(F)C3)n2)c(Cl)c1 ZINC000453178080 1024370466 /nfs/dbraw/zinc/37/04/66/1024370466.db2.gz NXDDAOHBMKSMKT-UHFFFAOYSA-N -1 1 300.692 3.683 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000270409615 1024385360 /nfs/dbraw/zinc/38/53/60/1024385360.db2.gz XSOAQXRIIHNTCX-UWVGGRQHSA-N -1 1 305.271 3.839 20 0 DHADMM CCc1ccc(C(C)(C)NC(=O)c2c([O-])cccc2F)cc1 ZINC001137188301 1024406740 /nfs/dbraw/zinc/40/67/40/1024406740.db2.gz VAKAXTJJICSBJK-UHFFFAOYSA-N -1 1 301.361 3.759 20 0 DHADMM Cc1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)sc1C ZINC000339132586 1024572287 /nfs/dbraw/zinc/57/22/87/1024572287.db2.gz HTZFGUBUCWQLOD-UHFFFAOYSA-N -1 1 313.382 3.713 20 0 DHADMM CC(C)c1ccc(Cl)c(-c2ccc3c(c2)CC(=O)[N-]C3=O)c1 ZINC001204694505 1024621426 /nfs/dbraw/zinc/62/14/26/1024621426.db2.gz SOZOHTJNCZKABK-UHFFFAOYSA-N -1 1 313.784 3.943 20 0 DHADMM Cc1nsc([N-]C(=O)c2cc(Cl)cc(Cl)c2F)n1 ZINC001126644711 1024671095 /nfs/dbraw/zinc/67/10/95/1024671095.db2.gz GSICIGNUVUGUTC-UHFFFAOYSA-N -1 1 306.149 3.545 20 0 DHADMM CS(=O)(=O)c1ccc([O-])c(Nc2c(F)cccc2C2CC2)c1 ZINC001213452308 1025018894 /nfs/dbraw/zinc/01/88/94/1025018894.db2.gz HDNXDNDIWSCRRC-UHFFFAOYSA-N -1 1 321.373 3.556 20 0 DHADMM CCn1ccnc1[C@H]1CCCCN1Cc1cccc([O-])c1Cl ZINC000353341866 1025032777 /nfs/dbraw/zinc/03/27/77/1025032777.db2.gz ZPTSHKFAENHGBM-CQSZACIVSA-N -1 1 319.836 3.989 20 0 DHADMM O=C([O-])C[C@@H](NCc1ccc(F)cc1Cl)c1cccs1 ZINC000236423125 1025133015 /nfs/dbraw/zinc/13/30/15/1025133015.db2.gz ZMVNHEILQIJWKJ-GFCCVEGCSA-N -1 1 313.781 3.846 20 0 DHADMM COc1ccc(NC(=O)Nc2c(F)cc([O-])cc2F)c(C)c1 ZINC001202729374 1025148186 /nfs/dbraw/zinc/14/81/86/1025148186.db2.gz UUQKEWLUTWMKEB-UHFFFAOYSA-N -1 1 308.284 3.631 20 0 DHADMM CN(C)C(=O)Sc1ccc(-c2ccc(Cl)c([O-])c2)nc1 ZINC001243579891 1025163235 /nfs/dbraw/zinc/16/32/35/1025163235.db2.gz WSKZOZLNJZYSJS-UHFFFAOYSA-N -1 1 308.790 3.881 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC[C@@H](C(C)(C)C)C1 ZINC000794341504 1025256365 /nfs/dbraw/zinc/25/63/65/1025256365.db2.gz JOTCYDNDBVYQHH-CYBMUJFWSA-N -1 1 319.449 3.512 20 0 DHADMM CO[C@@]1(C)CCCN(C(=O)c2ccc3ccccc3c2[O-])CC1 ZINC000279908685 1025312528 /nfs/dbraw/zinc/31/25/28/1025312528.db2.gz GRTDJYWCASKORZ-IBGZPJMESA-N -1 1 313.397 3.577 20 0 DHADMM CCOC(=O)c1cnoc1[N-]c1ccc(F)c(F)c1Cl ZINC001215399499 1025349906 /nfs/dbraw/zinc/34/99/06/1025349906.db2.gz GMJIHFIFDYILSF-UHFFFAOYSA-N -1 1 302.664 3.527 20 0 DHADMM CC(C)CON=c1ccc(Br)c(C(F)(F)F)[n-]1 ZINC000804586016 1025382714 /nfs/dbraw/zinc/38/27/14/1025382714.db2.gz MIJUPHWCQOQGKT-UHFFFAOYSA-N -1 1 313.117 3.862 20 0 DHADMM O=C(Nc1ncc(C2CCCCC2)s1)c1cncc([O-])c1 ZINC000354606203 1025464092 /nfs/dbraw/zinc/46/40/92/1025464092.db2.gz VACRXQGVTXXMCB-UHFFFAOYSA-N -1 1 303.387 3.544 20 0 DHADMM CCCCCCN(C)CC(=O)Nc1cc(Cl)c([O-])cc1F ZINC000805256277 1025569428 /nfs/dbraw/zinc/56/94/28/1025569428.db2.gz CMRNUNRNCVNKPA-UHFFFAOYSA-N -1 1 316.804 3.635 20 0 DHADMM CCOc1cc(C(=O)N2C[C@@H]3CCCCC[C@H]32)cc(Cl)c1[O-] ZINC000359874710 1025723865 /nfs/dbraw/zinc/72/38/65/1025723865.db2.gz RCPBKYBIZMUWKJ-SMDDNHRTSA-N -1 1 323.820 3.849 20 0 DHADMM CCOc1ccc(F)c([N-]c2cnns2)c1Br ZINC001211756324 1025899473 /nfs/dbraw/zinc/89/94/73/1025899473.db2.gz FWORLQZGUMOSCX-UHFFFAOYSA-N -1 1 318.171 3.582 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCCC1CCCCC1 ZINC000747358314 1025989512 /nfs/dbraw/zinc/98/95/12/1025989512.db2.gz FVIRYKHPSNDYDT-UHFFFAOYSA-N -1 1 319.449 3.704 20 0 DHADMM CC(C)(C)C1CC(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)C1 ZINC000411401060 1025989819 /nfs/dbraw/zinc/98/98/19/1025989819.db2.gz PKIGAIBGSQAWPU-UHFFFAOYSA-N -1 1 313.401 3.793 20 0 DHADMM CCOc1ccc(NCc2cccc([O-])c2Cl)cc1CO ZINC000293351721 1026035035 /nfs/dbraw/zinc/03/50/35/1026035035.db2.gz TYXKHMSSDUONJN-UHFFFAOYSA-N -1 1 307.777 3.549 20 0 DHADMM Cc1nc(CC2CC2)oc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000356378261 1026036413 /nfs/dbraw/zinc/03/64/13/1026036413.db2.gz AAAATNBNNARLMU-UHFFFAOYSA-N -1 1 306.749 3.547 20 0 DHADMM C[C@@H]1CN(Cc2c(Cl)cccc2C(=O)[O-])C[C@@H](C)C1(F)F ZINC000629365428 1026149582 /nfs/dbraw/zinc/14/95/82/1026149582.db2.gz WUYUIOROYQAXLQ-NXEZZACHSA-N -1 1 317.763 3.761 20 0 DHADMM CCC[C@@H](NCc1ccc(-c2ccc(F)cc2C)o1)C(=O)[O-] ZINC000262690119 1026514123 /nfs/dbraw/zinc/51/41/23/1026514123.db2.gz FTMOOFSBTWURBS-OAHLLOKOSA-N -1 1 305.349 3.737 20 0 DHADMM O=C(N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)c1ccc([O-])cc1F ZINC000280175230 1026607815 /nfs/dbraw/zinc/60/78/15/1026607815.db2.gz CGQNVZYTLITIOF-GXTWGEPZSA-N -1 1 317.335 3.737 20 0 DHADMM COc1cc(Cl)ccc1[N-]S(=O)(=O)CCC(C)(C)C ZINC000811696907 1027070639 /nfs/dbraw/zinc/07/06/39/1027070639.db2.gz HQGZYADPINXMAQ-UHFFFAOYSA-N -1 1 305.827 3.527 20 0 DHADMM O=C([N-]c1c(F)cc(Cl)cc1F)c1noc2c1CCCC2 ZINC000271715862 1027128162 /nfs/dbraw/zinc/12/81/62/1027128162.db2.gz KLLQFMDDSZYONC-UHFFFAOYSA-N -1 1 312.703 3.737 20 0 DHADMM Cc1nc(C2CC2)ccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000295431248 1027271584 /nfs/dbraw/zinc/27/15/84/1027271584.db2.gz FSLSSNMPLABBDP-UHFFFAOYSA-N -1 1 302.761 3.879 20 0 DHADMM CC(C)OCCO[N-]C(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000812808193 1027430741 /nfs/dbraw/zinc/43/07/41/1027430741.db2.gz BFEUJWNZNKHNEI-JTQLQIEISA-N -1 1 320.216 3.570 20 0 DHADMM COc1ccc(-c2nc(Cc3ccc4c(c3)CCC4)no2)c([O-])c1 ZINC000562474096 1027450622 /nfs/dbraw/zinc/45/06/22/1027450622.db2.gz WBJMVKZILZJOAJ-UHFFFAOYSA-N -1 1 322.364 3.530 20 0 DHADMM CC[C@@H](C)CN(C)C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC000932495659 1027514416 /nfs/dbraw/zinc/51/44/16/1027514416.db2.gz FDYUZEFVQZWRPA-GFCCVEGCSA-N -1 1 315.369 3.583 20 0 DHADMM COc1cccc(-c2n[nH]cc2C=CC(=O)c2ccc([O-])cc2)c1 ZINC000047168611 1027530896 /nfs/dbraw/zinc/53/08/96/1027530896.db2.gz XQNMVWPDQYSXLG-YFHOEESVSA-N -1 1 320.348 3.687 20 0 DHADMM CCOc1cc(C(=O)N2CCCC23CCCC3)cc(Cl)c1[O-] ZINC000365540768 1027963693 /nfs/dbraw/zinc/96/36/93/1027963693.db2.gz SBDKPZBBAMSUEF-UHFFFAOYSA-N -1 1 323.820 3.993 20 0 DHADMM CCOc1cc(-c2nc([C@@H]3CC[C@H](C)O3)no2)cc(Cl)c1[O-] ZINC000528234372 1028204976 /nfs/dbraw/zinc/20/49/76/1028204976.db2.gz KEVAQXCBVZRHRK-KWQFWETISA-N -1 1 324.764 3.734 20 0 DHADMM O=C(Nc1nc(Cl)ccc1[O-])c1ccccc1C(F)(F)F ZINC000188358630 1028508336 /nfs/dbraw/zinc/50/83/36/1028508336.db2.gz CBKSUCHNOVOVJS-UHFFFAOYSA-N -1 1 316.666 3.712 20 0 DHADMM CN(Cc1ccc2ccccc2c1)C(=O)c1cccc([O-])c1F ZINC001135235690 1028631898 /nfs/dbraw/zinc/63/18/98/1028631898.db2.gz HIXJFMDUIDOJQP-UHFFFAOYSA-N -1 1 309.340 3.957 20 0 DHADMM CCOc1ccccc1CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000566540486 1028741138 /nfs/dbraw/zinc/74/11/38/1028741138.db2.gz HHDKXSDGIUTXBR-UHFFFAOYSA-N -1 1 302.399 3.751 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCC(C)(C(C)C)CC1 ZINC000779224039 1028744628 /nfs/dbraw/zinc/74/46/28/1028744628.db2.gz SHJUBHJTEBQIRX-UHFFFAOYSA-N -1 1 319.449 3.512 20 0 DHADMM COc1ccccc1NC(=O)c1ccc2ccc(O)cc2c1[O-] ZINC001135498384 1028806975 /nfs/dbraw/zinc/80/69/75/1028806975.db2.gz CAVUVAKPJPXIFZ-UHFFFAOYSA-N -1 1 309.321 3.512 20 0 DHADMM O=C(c1ccc([O-])cc1)C1CCN(c2ccnc(Cl)c2)CC1 ZINC000372736215 1028892105 /nfs/dbraw/zinc/89/21/05/1028892105.db2.gz COZOZUCTXSVYFR-UHFFFAOYSA-N -1 1 316.788 3.540 20 0 DHADMM [O-]c1ccc(-c2noc([C@H]3C[C@H]3c3cccnc3)n2)c(Cl)c1 ZINC000373157914 1028964796 /nfs/dbraw/zinc/96/47/96/1028964796.db2.gz IDNVYTDYHLZQIW-STQMWFEESA-N -1 1 313.744 3.762 20 0 DHADMM C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[N-]Oc1ccccc1 ZINC000816683946 1028988947 /nfs/dbraw/zinc/98/89/47/1028988947.db2.gz GMVMVTKWYWJYKX-GFCCVEGCSA-N -1 1 323.314 3.994 20 0 DHADMM CCOc1ccc(NC(=O)c2cc(SC)ccc2[O-])cc1 ZINC001135673958 1028996459 /nfs/dbraw/zinc/99/64/59/1028996459.db2.gz HGVNRGQADTVKIW-UHFFFAOYSA-N -1 1 303.383 3.765 20 0 DHADMM CC(C)(C)C(C)(C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000449801340 1029004664 /nfs/dbraw/zinc/00/46/64/1029004664.db2.gz HDEUKLDKPHYEGW-UHFFFAOYSA-N -1 1 301.390 3.793 20 0 DHADMM C[C@@H]1CN(C(=O)c2cc3ccccc3cc2[O-])C[C@H](C)C1(F)F ZINC000628387563 1029027656 /nfs/dbraw/zinc/02/76/56/1029027656.db2.gz WBDCHWFSHBDZQW-TXEJJXNPSA-N -1 1 319.351 3.909 20 0 DHADMM CC[C@@H](C)CO[N-]C(=O)[C@H](C)c1ccc(C(=O)C(C)C)cc1 ZINC000816980970 1029047670 /nfs/dbraw/zinc/04/76/70/1029047670.db2.gz XGAPTHPPLPRBML-ZIAGYGMSSA-N -1 1 305.418 3.723 20 0 DHADMM CCOc1cc(C(=O)N2CCCC3(CCC3)C2)cc(Cl)c1[O-] ZINC000373471215 1029055887 /nfs/dbraw/zinc/05/58/87/1029055887.db2.gz ASHLSEXDBABEBK-UHFFFAOYSA-N -1 1 323.820 3.851 20 0 DHADMM O=C(Nc1ccc(F)cc1[O-])C1(Oc2ccc(Cl)cc2)CC1 ZINC000569230190 1029198743 /nfs/dbraw/zinc/19/87/43/1029198743.db2.gz QBUBLIHPXMLVLP-UHFFFAOYSA-N -1 1 321.735 3.735 20 0 DHADMM COc1cccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)c1C ZINC000629316570 1029301009 /nfs/dbraw/zinc/30/10/09/1029301009.db2.gz QQBLFFMDBRQGAA-UHFFFAOYSA-N -1 1 317.410 3.682 20 0 DHADMM Cc1cc(O)cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000629331744 1029305115 /nfs/dbraw/zinc/30/51/15/1029305115.db2.gz VJGNHKDZPRAWIO-UHFFFAOYSA-N -1 1 305.399 3.625 20 0 DHADMM CC(C)c1nn(C)c(Cl)c1C=C1SC(=S)[N-]C1=O ZINC000044013037 1029306034 /nfs/dbraw/zinc/30/60/34/1029306034.db2.gz GEBHIRRDZNMWJE-DAXSKMNVSA-N -1 1 301.824 3.526 20 0 DHADMM C[C@H]1CC(C)(C)C[N@@H+]1Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000412050344 1029311556 /nfs/dbraw/zinc/31/15/56/1029311556.db2.gz YCTVLTYRGITTBJ-NSHDSACASA-N -1 1 311.385 3.702 20 0 DHADMM CCCCc1nc(CN2CC[C@H](C(=O)[O-])[C@H]3CCC[C@H]32)cs1 ZINC000629373378 1029316061 /nfs/dbraw/zinc/31/60/61/1029316061.db2.gz IKUMWPHTDPCPIR-QLFBSQMISA-N -1 1 322.474 3.561 20 0 DHADMM CCOC(=O)c1cnc(C)c(-c2c(F)ccc([O-])c2Cl)c1 ZINC001245832467 1029344863 /nfs/dbraw/zinc/34/48/63/1029344863.db2.gz WODYCFTZTTZFBC-UHFFFAOYSA-N -1 1 309.724 3.732 20 0 DHADMM [O-]c1ccc(F)c(-c2ccnc(-c3nccs3)n2)c1Cl ZINC001245832621 1029345366 /nfs/dbraw/zinc/34/53/66/1029345366.db2.gz LWRDYASXHFNNBO-UHFFFAOYSA-N -1 1 307.737 3.765 20 0 DHADMM CC(C)Cc1nnc([N-]C(=O)c2nc3ccccc3s2)s1 ZINC000120728995 1029348107 /nfs/dbraw/zinc/34/81/07/1029348107.db2.gz JSUPGORYQHGOPH-UHFFFAOYSA-N -1 1 318.427 3.599 20 0 DHADMM Cc1cc(Br)c([O-])c(NC(=O)[C@H](C)CC(F)F)c1 ZINC000412241025 1029374045 /nfs/dbraw/zinc/37/40/45/1029374045.db2.gz KKPMYKSQTMFTNI-SSDOTTSWSA-N -1 1 322.149 3.693 20 0 DHADMM C[C@@H]1COCC[C@@H]1C(=O)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529538540 1029400342 /nfs/dbraw/zinc/40/03/42/1029400342.db2.gz DGOGFWUWYYZAPY-MNOVXSKESA-N -1 1 319.788 3.810 20 0 DHADMM O=C(c1ccc(Br)c([O-])c1)N1CCCC2(CC2)CC1 ZINC000629643705 1029401822 /nfs/dbraw/zinc/40/18/22/1029401822.db2.gz HQKXHBXPXBLAKN-UHFFFAOYSA-N -1 1 324.218 3.561 20 0 DHADMM [O-]c1ccc(Cl)c(F)c1CNc1cccc(-c2nnco2)c1 ZINC000191384178 1029414601 /nfs/dbraw/zinc/41/46/01/1029414601.db2.gz ZRNBBVIAPYJHDV-UHFFFAOYSA-N -1 1 319.723 3.847 20 0 DHADMM CC(C)Oc1ncccc1NC(=O)c1cc2ccccc2cc1[O-] ZINC001136271737 1029612365 /nfs/dbraw/zinc/61/23/65/1029612365.db2.gz GNLPXUXLGMQBBG-UHFFFAOYSA-N -1 1 322.364 3.980 20 0 DHADMM CCC(CC)n1ncc(C(=O)Nc2cccc(F)c2[O-])c1C ZINC000530004104 1029709845 /nfs/dbraw/zinc/70/98/45/1029709845.db2.gz APPVZFDVHRCDLV-UHFFFAOYSA-N -1 1 305.353 3.650 20 0 DHADMM CCCc1c(C(=O)Nc2cccc(F)c2[O-])[nH]c(C)c1C(C)=O ZINC000530005519 1029710956 /nfs/dbraw/zinc/71/09/56/1029710956.db2.gz HSJNYAZWXBTBRT-UHFFFAOYSA-N -1 1 318.348 3.575 20 0 DHADMM COc1ccc2cc(C=Cc3ncc(OC)c(=O)[n-]3)ccc2c1 ZINC000821007529 1029805051 /nfs/dbraw/zinc/80/50/51/1029805051.db2.gz ITMOZNGPJTYEQQ-YWEYNIOJSA-N -1 1 308.337 3.523 20 0 DHADMM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1CNC(=O)c1cc(F)ccc1[O-] ZINC001136488017 1029865045 /nfs/dbraw/zinc/86/50/45/1029865045.db2.gz CKARODQWHRNCSE-UMVBOHGHSA-N -1 1 307.409 3.970 20 0 DHADMM Cc1cccc(C2(CNC(=O)c3ncc(C)cc3[O-])CCCC2)c1 ZINC001136525882 1029912706 /nfs/dbraw/zinc/91/27/06/1029912706.db2.gz AEOBAGBJIOXPRJ-UHFFFAOYSA-N -1 1 324.424 3.646 20 0 DHADMM O=C(NCCCc1ccc(Cl)cc1)c1cccc([O-])c1F ZINC001136536728 1029916538 /nfs/dbraw/zinc/91/65/38/1029916538.db2.gz JZASYVMBJQSGBW-UHFFFAOYSA-N -1 1 307.752 3.547 20 0 DHADMM CC[C@H]1CC[C@H](C)N1c1ccc(-c2nc(C)c(C)c(=O)[n-]2)cn1 ZINC000357288088 1029978177 /nfs/dbraw/zinc/97/81/77/1029978177.db2.gz NQZGLHSVNKSGPB-NHYWBVRUSA-N -1 1 312.417 3.628 20 0 DHADMM COCc1cc(NCc2cccc([O-])c2Cl)ccc1OC ZINC000865751263 1030003385 /nfs/dbraw/zinc/00/33/85/1030003385.db2.gz JFXMFRBCWTYPPY-UHFFFAOYSA-N -1 1 307.777 3.813 20 0 DHADMM CC[C@@H](C)CO[N-]C(=O)[C@H](C)c1ccccc1C(F)(F)F ZINC000794867651 1030016386 /nfs/dbraw/zinc/01/63/86/1030016386.db2.gz ZQXFVIOISZEGSZ-GHMZBOCLSA-N -1 1 303.324 3.903 20 0 DHADMM C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccccc1 ZINC001136704605 1030252611 /nfs/dbraw/zinc/25/26/11/1030252611.db2.gz CWITUKPEEDDLAD-JTQLQIEISA-N -1 1 309.287 3.902 20 0 DHADMM CCCc1nc(C(=O)[N-]c2c(C)noc2-c2ccccc2)co1 ZINC000357975693 1030268054 /nfs/dbraw/zinc/26/80/54/1030268054.db2.gz BEKFGJFEPMNLFY-UHFFFAOYSA-N -1 1 311.341 3.843 20 0 DHADMM CC(C)(NC(=O)Cc1ccc([O-])c(Cl)c1)c1cccc(F)c1 ZINC001136779235 1030405373 /nfs/dbraw/zinc/40/53/73/1030405373.db2.gz JRALEIANDSVNGC-UHFFFAOYSA-N -1 1 321.779 3.779 20 0 DHADMM O=C(c1ccc(Br)c([O-])c1)N(CC1CC1)C1CCC1 ZINC000358391085 1030467779 /nfs/dbraw/zinc/46/77/79/1030467779.db2.gz PONBZDOPFZQBMO-UHFFFAOYSA-N -1 1 324.218 3.559 20 0 DHADMM C[C@@H](NC(=O)c1ccc(F)c([O-])c1)c1nc2ccccc2s1 ZINC001136818470 1030472121 /nfs/dbraw/zinc/47/21/21/1030472121.db2.gz ZTDFOMWNNJIDDR-SECBINFHSA-N -1 1 316.357 3.632 20 0 DHADMM Cc1cnc(C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)c([O-])c1 ZINC000358604565 1030554507 /nfs/dbraw/zinc/55/45/07/1030554507.db2.gz SGKHFAAFUNBUHF-KRWDZBQOSA-N -1 1 322.408 3.778 20 0 DHADMM CCc1cc(C(=O)N=[S@](C)(=O)C2CCCCC2)ccc1[O-] ZINC000926033189 1030583691 /nfs/dbraw/zinc/58/36/91/1030583691.db2.gz VPAWJPKXJHJBOF-OAQYLSRUSA-N -1 1 309.431 3.525 20 0 DHADMM CC[C@H](C)N(CC)C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC000824652226 1030599575 /nfs/dbraw/zinc/59/95/75/1030599575.db2.gz XSFKCZJJEJWADI-LBPRGKRZSA-N -1 1 315.369 3.725 20 0 DHADMM Cc1[nH+]ccn1-c1ccc(Nc2ccc(O)c(F)c2F)cc1 ZINC001212008761 1030648123 /nfs/dbraw/zinc/64/81/23/1030648123.db2.gz COUPSVYTLOZAQV-UHFFFAOYSA-N -1 1 301.296 3.908 20 0 DHADMM O=C(Cc1ccc([O-])c(Cl)c1)OC[C@@H]1CCC(F)(F)C1 ZINC000869735325 1030848152 /nfs/dbraw/zinc/84/81/52/1030848152.db2.gz SKKCFGWTPOZBAH-SNVBAGLBSA-N -1 1 304.720 3.567 20 0 DHADMM CON(C(=O)c1ccc(F)c([O-])c1)[C@H](C)c1ccccc1C ZINC001160410233 1030928641 /nfs/dbraw/zinc/92/86/41/1030928641.db2.gz HAQCAJUYKVIKRZ-GFCCVEGCSA-N -1 1 303.333 3.605 20 0 DHADMM CSc1ccc([O-])c(C(=O)Nc2nc(C(C)(C)C)ns2)c1 ZINC001143747378 1030942647 /nfs/dbraw/zinc/94/26/47/1030942647.db2.gz OWWJHUILFWAVBB-UHFFFAOYSA-N -1 1 323.443 3.515 20 0 DHADMM CO[C@H]1CCC[C@H]1Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000292613367 1031098624 /nfs/dbraw/zinc/09/86/24/1031098624.db2.gz IZDGSRVRXUSWCN-UONOGXRCSA-N -1 1 316.426 3.817 20 0 DHADMM CC[C@H](C)c1nnc([C@@H](C)NCc2cccc([O-])c2Cl)[nH]1 ZINC000292746225 1031156693 /nfs/dbraw/zinc/15/66/93/1031156693.db2.gz ASUFBVHUNVVGGJ-VHSXEESVSA-N -1 1 308.813 3.528 20 0 DHADMM O=C(NCc1cc2ccccc2o1)c1ccc(Cl)cc1[O-] ZINC000611891351 1031189667 /nfs/dbraw/zinc/18/96/67/1031189667.db2.gz YJTAKLDNCRQDRO-UHFFFAOYSA-N -1 1 301.729 3.722 20 0 DHADMM O=C(c1c([O-])cccc1Cl)N1CCC[C@H](OC2CCC2)CC1 ZINC000871329021 1031197756 /nfs/dbraw/zinc/19/77/56/1031197756.db2.gz OOUHVLWGZSMLPK-ZDUSSCGKSA-N -1 1 323.820 3.609 20 0 DHADMM CO[C@H]1C[C@@H](CSc2nc(-c3ccccc3)c(C)c(=O)[n-]2)C1 ZINC000871668307 1031259699 /nfs/dbraw/zinc/25/96/99/1031259699.db2.gz XGKQVGYEBFAKNI-XBXGTLAGSA-N -1 1 316.426 3.675 20 0 DHADMM C[C@@]1(C(=O)Nc2cccc(C(F)(F)F)c2[O-])C[C@@H]2C=C[C@H]1C2 ZINC001144283977 1031425513 /nfs/dbraw/zinc/42/55/13/1031425513.db2.gz IPDZNMJDBBWSDZ-HFBDOXOYSA-N -1 1 311.303 3.952 20 0 DHADMM Cc1nsc(NC2CC2)c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000293333285 1031432232 /nfs/dbraw/zinc/43/22/32/1031432232.db2.gz JPYKYCKNWKEJIA-UHFFFAOYSA-N -1 1 323.805 3.637 20 0 DHADMM COc1ccc(NCc2cccc([O-])c2Cl)c(OC)c1OC ZINC000293347137 1031439142 /nfs/dbraw/zinc/43/91/42/1031439142.db2.gz SUSPRYJTCUOBBI-UHFFFAOYSA-N -1 1 323.776 3.684 20 0 DHADMM [O-]c1cccc(CNCc2nc(C(F)(F)F)cs2)c1Cl ZINC000293610361 1031539887 /nfs/dbraw/zinc/53/98/87/1031539887.db2.gz POUSDMVPWYOCBY-UHFFFAOYSA-N -1 1 322.739 3.811 20 0 DHADMM Cc1ccc2c(c1)[C@H](NC(=O)c1c(F)ccc([O-])c1F)CCC2 ZINC000293808578 1031634758 /nfs/dbraw/zinc/63/47/58/1031634758.db2.gz YKVOWQKKOVWERD-CQSZACIVSA-N -1 1 317.335 3.786 20 0 DHADMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000032098395 1031647092 /nfs/dbraw/zinc/64/70/92/1031647092.db2.gz GOHIMKJORWVIJA-UHFFFAOYSA-N -1 1 317.410 3.643 20 0 DHADMM CC(C)(C)CCCCCC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC001144676905 1031811731 /nfs/dbraw/zinc/81/17/31/1031811731.db2.gz RWASYWGZBOMIPD-UHFFFAOYSA-N -1 1 306.332 3.759 20 0 DHADMM Cc1ccc([C@H]2CCCN2Cc2cc(F)c([O-])cc2F)cn1 ZINC001144659292 1031812428 /nfs/dbraw/zinc/81/24/28/1031812428.db2.gz CAZACKPRSNYLCR-MRXNPFEDSA-N -1 1 304.340 3.711 20 0 DHADMM [O-]c1cc(F)c(CN2CCSc3ccccc3C2)cc1F ZINC001144659318 1031812754 /nfs/dbraw/zinc/81/27/54/1031812754.db2.gz CWODYBYEBHJBOI-UHFFFAOYSA-N -1 1 307.365 3.778 20 0 DHADMM O=C(c1ccc2ccc(O)cc2c1[O-])N1CCC(C2CC2)CC1 ZINC000897825438 1031846995 /nfs/dbraw/zinc/84/69/95/1031846995.db2.gz ICOILWSPUHANBV-UHFFFAOYSA-N -1 1 311.381 3.513 20 0 DHADMM O=C(NCc1ccc2sccc2c1)c1cc(F)ccc1[O-] ZINC001160673941 1031853094 /nfs/dbraw/zinc/85/30/94/1031853094.db2.gz VYOFGIOPQPEURL-UHFFFAOYSA-N -1 1 301.342 3.676 20 0 DHADMM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ncc3ccccc3c2[O-])C1 ZINC001144746227 1031933282 /nfs/dbraw/zinc/93/32/82/1031933282.db2.gz WEPDDYVCEPXUOG-UKRRQHHQSA-N -1 1 312.413 3.885 20 0 DHADMM CC(C)(C)[C@@H]([N-]C(=O)C(F)(F)Cc1ccccc1)C(F)(F)F ZINC000793572923 1031940613 /nfs/dbraw/zinc/94/06/13/1031940613.db2.gz NXBUHWVQHHMONF-LLVKDONJSA-N -1 1 323.305 3.958 20 0 DHADMM CC(C)Oc1ccc(C(=O)Nc2cc(F)cc(F)c2[O-])cc1 ZINC001142537978 1031972734 /nfs/dbraw/zinc/97/27/34/1031972734.db2.gz YEQMAENUOQDWFM-UHFFFAOYSA-N -1 1 307.296 3.710 20 0 DHADMM [O-]c1cnccc1-c1nc(-c2ccc(Cl)cc2Cl)no1 ZINC001212721263 1033697273 /nfs/dbraw/zinc/69/72/73/1033697273.db2.gz HETPENYJNLDEKK-UHFFFAOYSA-N -1 1 308.124 3.811 20 0 DHADMM Cc1ccc(C(F)(F)F)cc1-c1noc(-c2ccncc2[O-])n1 ZINC001212721608 1033699242 /nfs/dbraw/zinc/69/92/42/1033699242.db2.gz XOAOSHCMAVISFU-UHFFFAOYSA-N -1 1 321.258 3.831 20 0 DHADMM C[C@H]1CSCCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000889914265 1033776051 /nfs/dbraw/zinc/77/60/51/1033776051.db2.gz ZDOFEWJPQGVHST-LBPRGKRZSA-N -1 1 301.411 3.513 20 0 DHADMM CC(C)([N-]C(=O)C(F)(F)C(F)F)c1nc2ccccc2s1 ZINC000862585852 1033897358 /nfs/dbraw/zinc/89/73/58/1033897358.db2.gz GXRSQWVOUUVROJ-UHFFFAOYSA-N -1 1 320.311 3.548 20 0 DHADMM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cc(F)ccc1[O-] ZINC001137144230 1033987928 /nfs/dbraw/zinc/98/79/28/1033987928.db2.gz OKWDUSAYHXVMFE-QGHHPUGFSA-N -1 1 317.335 3.724 20 0 DHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(C)cc2C)c1 ZINC001174012765 1034041404 /nfs/dbraw/zinc/04/14/04/1034041404.db2.gz JXMRWNCJLASRCA-UHFFFAOYSA-N -1 1 305.399 3.546 20 0 DHADMM Cc1nc(CCCC(=O)Nc2ccc([O-])c(Cl)c2)cs1 ZINC000176690754 1034101571 /nfs/dbraw/zinc/10/15/71/1034101571.db2.gz RFAMNJSBQHCVNW-UHFFFAOYSA-N -1 1 310.806 3.772 20 0 DHADMM CC(C)CNC(=O)c1ccc(Nc2cc(F)c([O-])cc2F)cc1 ZINC001174079228 1034135712 /nfs/dbraw/zinc/13/57/12/1034135712.db2.gz VPMKGBYISQUITE-UHFFFAOYSA-N -1 1 320.339 3.800 20 0 DHADMM O=C(c1ccc(O)cc1[O-])N1CC2(CCCC2)c2ccccc21 ZINC000177671815 1034173829 /nfs/dbraw/zinc/17/38/29/1034173829.db2.gz BFTWZQDDEPCSHZ-UHFFFAOYSA-N -1 1 309.365 3.570 20 0 DHADMM CCN(CC)C(=O)c1cccc(Nc2c([O-])cc(F)cc2F)c1 ZINC001174166669 1034189465 /nfs/dbraw/zinc/18/94/65/1034189465.db2.gz VPGOOVUJLBJBAL-UHFFFAOYSA-N -1 1 320.339 3.896 20 0 DHADMM O=C(c1cccc(Nc2cc(F)c([O-])cc2F)c1)N1CCCC1 ZINC001174172299 1034195528 /nfs/dbraw/zinc/19/55/28/1034195528.db2.gz ULTYKJQJPMARLF-UHFFFAOYSA-N -1 1 318.323 3.650 20 0 DHADMM CC(C)(CC(=O)Nc1ccc([O-])c(F)c1F)CC(F)(F)F ZINC000880237178 1034258214 /nfs/dbraw/zinc/25/82/14/1034258214.db2.gz SDMZOIUAQWRLDY-UHFFFAOYSA-N -1 1 311.250 3.978 20 0 DHADMM C/C=C/c1ccc([N-]S(=O)(=O)c2ccccc2COC)cc1 ZINC000554689705 1034273778 /nfs/dbraw/zinc/27/37/78/1034273778.db2.gz JHJSBLMRZIFQJZ-ZZXKWVIFSA-N -1 1 317.410 3.667 20 0 DHADMM O=C([O-])c1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1Cl ZINC000864049560 1034278193 /nfs/dbraw/zinc/27/81/93/1034278193.db2.gz INRYVPDUYUSMCU-NEPJUHHUSA-N -1 1 311.834 3.508 20 0 DHADMM CCN(C)C(=O)c1ccc(Nc2ccc(F)c(F)c2[O-])cc1 ZINC001174322845 1034288426 /nfs/dbraw/zinc/28/84/26/1034288426.db2.gz VEJUJJUUUKBYEN-UHFFFAOYSA-N -1 1 306.312 3.506 20 0 DHADMM CC[C@@H](C)CC(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000480534751 1034295553 /nfs/dbraw/zinc/29/55/53/1034295553.db2.gz FTTKBRXRLOHZNE-MRVPVSSYSA-N -1 1 300.196 3.838 20 0 DHADMM COc1cc(OC)cc(-c2nc(=O)c3c(C)sc(C)c3[n-]2)c1 ZINC000864354226 1034326319 /nfs/dbraw/zinc/32/63/19/1034326319.db2.gz ATSSOEZARTXSKL-UHFFFAOYSA-N -1 1 316.382 3.698 20 0 DHADMM COc1ccc(Cc2nc(=O)c3c(C)sc(C)c3[n-]2)c(F)c1 ZINC000864354451 1034327747 /nfs/dbraw/zinc/32/77/47/1034327747.db2.gz FVCMAJIHNSYOHM-UHFFFAOYSA-N -1 1 318.373 3.752 20 0 DHADMM CCc1ccccc1[C@@H](CC(=O)[O-])NCc1cccnc1Cl ZINC000864528289 1034375390 /nfs/dbraw/zinc/37/53/90/1034375390.db2.gz NOWZSNVSJAYVHN-OAHLLOKOSA-N -1 1 318.804 3.603 20 0 DHADMM CC[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)c1ccccc1 ZINC000554944590 1034433583 /nfs/dbraw/zinc/43/35/83/1034433583.db2.gz UHNAPXSIAGQXMV-LLVKDONJSA-N -1 1 324.352 3.873 20 0 DHADMM C[C@@H]1CC(F)(F)CCN1C(=O)c1ccc2ccc(O)cc2c1[O-] ZINC000899140793 1034468011 /nfs/dbraw/zinc/46/80/11/1034468011.db2.gz CXEMEKQGGSINPJ-SNVBAGLBSA-N -1 1 321.323 3.511 20 0 DHADMM COc1ccc2nc(-n3[n-]c(C)c(C(C)C)c3=O)c(C)cc2c1 ZINC000899352455 1034588493 /nfs/dbraw/zinc/58/84/93/1034588493.db2.gz JBKOZFLOYGVZSL-INIZCTEOSA-N -1 1 311.385 3.547 20 0 DHADMM O=c1oc2cc([O-])ccc2cc1Nc1cncc(C(F)(F)F)c1 ZINC001174741830 1034592061 /nfs/dbraw/zinc/59/20/61/1034592061.db2.gz SEAXGOZGURAZCP-UHFFFAOYSA-N -1 1 322.242 3.656 20 0 DHADMM Cc1nc(SCc2cnc(Cl)s2)[n-]c(=O)c1C1CC1 ZINC000865373185 1034613560 /nfs/dbraw/zinc/61/35/60/1034613560.db2.gz JLSASYPAWMKACZ-UHFFFAOYSA-N -1 1 313.835 3.770 20 0 DHADMM Cc1nc(SCCOc2cccc(F)c2)[n-]c(=O)c1C1CC1 ZINC000865373114 1034613627 /nfs/dbraw/zinc/61/36/27/1034613627.db2.gz GNIREEMZTSWWGH-UHFFFAOYSA-N -1 1 320.389 3.678 20 0 DHADMM Cc1ccc(OCCSc2nc(C)c(C3CC3)c(=O)[n-]2)cc1 ZINC000865373379 1034613792 /nfs/dbraw/zinc/61/37/92/1034613792.db2.gz RKTMZWVBWFLVEO-UHFFFAOYSA-N -1 1 316.426 3.848 20 0 DHADMM O=C(N[C@H](C1CCCCC1)C(F)(F)F)c1cccc([O-])c1F ZINC001137167515 1034656617 /nfs/dbraw/zinc/65/66/17/1034656617.db2.gz LVASSRICSBIJCQ-CYBMUJFWSA-N -1 1 319.298 3.772 20 0 DHADMM CCn1nc(C)c(NC(=O)Nc2ccc([O-])c(Cl)c2)c1C ZINC000192247032 1034788586 /nfs/dbraw/zinc/78/85/86/1034788586.db2.gz LCIIMEABQXJENB-UHFFFAOYSA-N -1 1 308.769 3.523 20 0 DHADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C ZINC000843812894 1034864714 /nfs/dbraw/zinc/86/47/14/1034864714.db2.gz PNUUCNLYBXXIHB-WCQYABFASA-N -1 1 319.449 3.559 20 0 DHADMM CC(C)OC(=O)c1ccc(Nc2ccc(F)c(F)c2[O-])cc1 ZINC001175259678 1034909961 /nfs/dbraw/zinc/90/99/61/1034909961.db2.gz XMGHUHKZJUQSKY-UHFFFAOYSA-N -1 1 307.296 3.979 20 0 DHADMM COc1ccc(C(C)=O)c(Nc2c(F)ccc([O-])c2F)c1OC ZINC001175268066 1034915136 /nfs/dbraw/zinc/91/51/36/1034915136.db2.gz GBQMSWORPCJZSN-UHFFFAOYSA-N -1 1 323.295 3.634 20 0 DHADMM [O-]c1cc(Nc2ccc(N3CCCC3)nc2)c(F)cc1Cl ZINC001175352902 1034946671 /nfs/dbraw/zinc/94/66/71/1034946671.db2.gz WZHXVWBMTMHCSC-UHFFFAOYSA-N -1 1 307.756 3.924 20 0 DHADMM CC(C)Sc1ccc([N-]S(=O)(=O)c2cccc(N)c2)cc1 ZINC001175626213 1035053287 /nfs/dbraw/zinc/05/32/87/1035053287.db2.gz AEMOWNXPDWXWKM-UHFFFAOYSA-N -1 1 322.455 3.570 20 0 DHADMM CC1(c2ccccc2)CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000158846239 1035106146 /nfs/dbraw/zinc/10/61/46/1035106146.db2.gz IQWROPGDKRQNFY-UHFFFAOYSA-N -1 1 313.372 3.725 20 0 DHADMM CC(C)(C)OC(=O)N1CCCc2cc([N-]c3nnco3)ccc21 ZINC001175879933 1035136704 /nfs/dbraw/zinc/13/67/04/1035136704.db2.gz NUGKBZQKKFNFEA-UHFFFAOYSA-N -1 1 316.361 3.501 20 0 DHADMM CCC[C@@H](C)C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000482658285 1035157303 /nfs/dbraw/zinc/15/73/03/1035157303.db2.gz NKLRHDVEOVRBFI-SECBINFHSA-N -1 1 300.196 3.838 20 0 DHADMM CC[C@@]1(CCc2ccccc2)CCCN1C(=O)c1cncc([O-])c1 ZINC001176115659 1035208119 /nfs/dbraw/zinc/20/81/19/1035208119.db2.gz ROUICUZQISACFA-FQEVSTJZSA-N -1 1 324.424 3.805 20 0 DHADMM CC(C)(C)c1nsc([N-]c2cnn(Cc3cccs3)c2)n1 ZINC001176157188 1035219878 /nfs/dbraw/zinc/21/98/78/1035219878.db2.gz JYVYTSGPXCNTKX-UHFFFAOYSA-N -1 1 319.459 3.886 20 0 DHADMM CCc1cc([N-]S(=O)(=O)c2cc(N)ccc2C)ccc1Cl ZINC001176391910 1035254555 /nfs/dbraw/zinc/25/45/55/1035254555.db2.gz XCRFCONEKFYJID-UHFFFAOYSA-N -1 1 324.833 3.594 20 0 DHADMM Cc1ccc([C@H]2CCN(C(=O)c3ncc(C)cc3[O-])C2(C)C)cc1 ZINC001176425372 1035271680 /nfs/dbraw/zinc/27/16/80/1035271680.db2.gz BSYQODUCZBDUIM-MRXNPFEDSA-N -1 1 324.424 3.812 20 0 DHADMM CCN(C)C(=O)c1cccc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001176466588 1035275141 /nfs/dbraw/zinc/27/51/41/1035275141.db2.gz NSCBTVBYYMTFDB-UHFFFAOYSA-N -1 1 306.312 3.506 20 0 DHADMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccccc2Cl)c1 ZINC001176552621 1035294199 /nfs/dbraw/zinc/29/41/99/1035294199.db2.gz GYICAEJJBWTUKC-UHFFFAOYSA-N -1 1 311.790 3.583 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2ccnn2Cc2ccccc2)c1F ZINC001176664423 1035308745 /nfs/dbraw/zinc/30/87/45/1035308745.db2.gz ZBOHPODVTUFQAR-UHFFFAOYSA-N -1 1 319.286 3.798 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2c(Cl)cnnc2Cl)c1F ZINC001176664876 1035309509 /nfs/dbraw/zinc/30/95/09/1035309509.db2.gz WRGQWMARTSKTFJ-UHFFFAOYSA-N -1 1 310.062 3.650 20 0 DHADMM CC1(C)C(=O)Nc2cc(Nc3c(F)cc(F)c([O-])c3F)ccc21 ZINC001176670869 1035310602 /nfs/dbraw/zinc/31/06/02/1035310602.db2.gz OIRKEBXUJVGHMS-UHFFFAOYSA-N -1 1 322.286 3.783 20 0 DHADMM Cc1cc2c(ccc(N)c2F)n1-c1c(F)cc(F)c([O-])c1F ZINC001176671444 1035310709 /nfs/dbraw/zinc/31/07/09/1035310709.db2.gz ZGKFQKXGJCCMAY-UHFFFAOYSA-N -1 1 310.250 3.783 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cccc(Cl)c2CO)c1F ZINC001176670274 1035310833 /nfs/dbraw/zinc/31/08/33/1035310833.db2.gz CSRVVUAADIOBIR-UHFFFAOYSA-N -1 1 303.667 3.699 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cccc(-n3cccn3)c2)c1F ZINC001176671578 1035310997 /nfs/dbraw/zinc/31/09/97/1035310997.db2.gz IDVHVMOHBGYJGW-UHFFFAOYSA-N -1 1 305.259 3.739 20 0 DHADMM CC1(c2ccc(Nc3c(F)cc(F)c([O-])c3F)cc2)COC1 ZINC001176672601 1035312015 /nfs/dbraw/zinc/31/20/15/1035312015.db2.gz OOJWDIVPLSNUJL-UHFFFAOYSA-N -1 1 309.287 3.841 20 0 DHADMM CC(=O)Oc1ccc(F)c(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176672921 1035312088 /nfs/dbraw/zinc/31/20/88/1035312088.db2.gz BDCJSPOCOWTYFM-UHFFFAOYSA-N -1 1 315.222 3.618 20 0 DHADMM [O-]c1c(F)cc(F)c(Nc2cnccc2Br)c1F ZINC001176663072 1035317686 /nfs/dbraw/zinc/31/76/86/1035317686.db2.gz ALFJJVJRSUEFTA-UHFFFAOYSA-N -1 1 319.080 3.711 20 0 DHADMM CC[C@H](C)[C@@H](C)N(C(=O)c1ncc2ccccc2c1[O-])C1CC1 ZINC000668314812 1035319613 /nfs/dbraw/zinc/31/96/13/1035319613.db2.gz YWMLDZSQFPEQEZ-QWHCGFSZSA-N -1 1 312.413 3.980 20 0 DHADMM Cc1cc(C)c(/C=C/CNCc2nc(C(=O)[O-])cs2)cc1C ZINC000903996297 1035337953 /nfs/dbraw/zinc/33/79/53/1035337953.db2.gz CFAQGVNLJMZRKJ-SNAWJCMRSA-N -1 1 316.426 3.570 20 0 DHADMM Cc1ccc(CC(=O)NCc2ccc([O-])c(Cl)c2)c(Cl)c1 ZINC001176987700 1035341143 /nfs/dbraw/zinc/34/11/43/1035341143.db2.gz CKPHKCOLVDSBCM-UHFFFAOYSA-N -1 1 324.207 3.866 20 0 DHADMM Cc1csc(C(=O)NCc2ccc([O-])c(Cl)c2)c1Cl ZINC001176993650 1035341631 /nfs/dbraw/zinc/34/16/31/1035341631.db2.gz IFHAOIPTQTUNJE-UHFFFAOYSA-N -1 1 316.209 3.999 20 0 DHADMM O=C(NCc1ccc([O-])c(Cl)c1)C1(c2cccc(F)c2)CC1 ZINC001176987686 1035341768 /nfs/dbraw/zinc/34/17/68/1035341768.db2.gz CBPVUMLPSBSIIR-UHFFFAOYSA-N -1 1 319.763 3.533 20 0 DHADMM CC(C)c1ncc(CN[C@H](CC(=O)[O-])c2ccccc2F)s1 ZINC000904045997 1035353005 /nfs/dbraw/zinc/35/30/05/1035353005.db2.gz UEBQQBVNGXYRAK-CQSZACIVSA-N -1 1 322.405 3.711 20 0 DHADMM CC[C@H](NCc1ccc(C2CCC2)cc1)c1nc(C(=O)[O-])c[nH]1 ZINC000904064760 1035357285 /nfs/dbraw/zinc/35/72/85/1035357285.db2.gz MDMPOJYECONASO-HNNXBMFYSA-N -1 1 313.401 3.616 20 0 DHADMM CC(C)c1oncc1[N-]C(=O)c1cnc(-c2ccccn2)s1 ZINC001177843339 1035395300 /nfs/dbraw/zinc/39/53/00/1035395300.db2.gz ATFLWHNVHTTXLU-UHFFFAOYSA-N -1 1 314.370 3.569 20 0 DHADMM [O-]c1ccc(Cc2nc(COc3ccccc3)no2)cc1Cl ZINC000904302740 1035397644 /nfs/dbraw/zinc/39/76/44/1035397644.db2.gz KAEHTIVIMUJYPY-UHFFFAOYSA-N -1 1 316.744 3.598 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N(Cc1cccc(F)c1)C1CCC1 ZINC001178252727 1035416701 /nfs/dbraw/zinc/41/67/01/1035416701.db2.gz SNXGIINFMVPLBW-UHFFFAOYSA-N -1 1 317.335 3.865 20 0 DHADMM Cc1ccccc1Oc1cccc(NC(=O)c2cnncc2[O-])c1 ZINC001179532660 1035481488 /nfs/dbraw/zinc/48/14/88/1035481488.db2.gz WZFSJUXUQFQVKY-UHFFFAOYSA-N -1 1 321.336 3.535 20 0 DHADMM C[C@H](CC(N)=O)c1ccc(NCc2cccc([O-])c2Cl)cc1 ZINC001179666609 1035492266 /nfs/dbraw/zinc/49/22/66/1035492266.db2.gz WKPHYEINCWYLRB-LLVKDONJSA-N -1 1 318.804 3.637 20 0 DHADMM CC(C)c1ccc2c(c1)CCCN2C(=O)C(=O)c1ccc([O-])cc1 ZINC000773823929 1035497545 /nfs/dbraw/zinc/49/75/45/1035497545.db2.gz LNHGRPBFNDEZNH-UHFFFAOYSA-N -1 1 323.392 3.678 20 0 DHADMM O=C(Nc1cccc([O-])c1Cl)N[C@@H]1CCc2ccccc21 ZINC001192996038 1035527113 /nfs/dbraw/zinc/52/71/13/1035527113.db2.gz ZCEVEYOHEOUKCE-GFCCVEGCSA-N -1 1 302.761 3.855 20 0 DHADMM C[C@H](CCCC(C)(C)C(=O)[O-])NCc1nc(C(C)(C)C)co1 ZINC000905791032 1035654650 /nfs/dbraw/zinc/65/46/50/1035654650.db2.gz ZZXQYZWWNIKDKM-GFCCVEGCSA-N -1 1 310.438 3.731 20 0 DHADMM C[C@H](C(=O)Nc1ccc([O-])c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000485655017 1035804468 /nfs/dbraw/zinc/80/44/68/1035804468.db2.gz GOQJCGVNDBMUIU-VIFPVBQESA-N -1 1 319.744 3.517 20 0 DHADMM O=C([N-]c1nnco1)c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC001194230010 1035864693 /nfs/dbraw/zinc/86/46/93/1035864693.db2.gz RYGZABKIPNNLNA-UHFFFAOYSA-N -1 1 323.230 3.601 20 0 DHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc2ccncc2c1 ZINC001194638069 1035973353 /nfs/dbraw/zinc/97/33/53/1035973353.db2.gz GQYWYQCGPSHYIK-UHFFFAOYSA-N -1 1 312.394 3.652 20 0 DHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc2ccn(C)c2c1 ZINC001194645059 1035977406 /nfs/dbraw/zinc/97/74/06/1035977406.db2.gz XBANUAILZOQATC-UHFFFAOYSA-N -1 1 314.410 3.596 20 0 DHADMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc2occc2c1 ZINC001194642448 1035978041 /nfs/dbraw/zinc/97/80/41/1035978041.db2.gz FMCKHFOQNAGKIT-UHFFFAOYSA-N -1 1 301.367 3.850 20 0 DHADMM Cc1cnc(C(=O)N(CCc2ccccc2)C2CCCC2)c([O-])c1 ZINC000494832542 1036075240 /nfs/dbraw/zinc/07/52/40/1036075240.db2.gz FAFVKAVKNCEXLA-UHFFFAOYSA-N -1 1 324.424 3.723 20 0 DHADMM Cc1ccc([O-])c(C(=O)Nc2cccc3c(Cl)ccnc23)n1 ZINC001195329740 1036205796 /nfs/dbraw/zinc/20/57/96/1036205796.db2.gz HLGZTLLKEOCKDX-UHFFFAOYSA-N -1 1 313.744 3.550 20 0 DHADMM O=C(c1cc([O-])cnc1Cl)N1CCC[C@@H]1C1CCCCC1 ZINC001195305670 1036215695 /nfs/dbraw/zinc/21/56/95/1036215695.db2.gz MKSMRULTRJNDHS-CQSZACIVSA-N -1 1 308.809 3.626 20 0 DHADMM CCOC(=O)NC(=S)[N-]c1ccccc1Oc1ccccc1 ZINC001195485092 1036268936 /nfs/dbraw/zinc/26/89/36/1036268936.db2.gz XFSZLNVQXQIWAW-UHFFFAOYSA-N -1 1 316.382 3.922 20 0 DHADMM CC(C)(C)CCC(=O)Nc1cccc([O-])c1Br ZINC000908713983 1036490431 /nfs/dbraw/zinc/49/04/31/1036490431.db2.gz XXBSJNMZUDHLOZ-UHFFFAOYSA-N -1 1 300.196 3.920 20 0 DHADMM C[C@@H]1CC/C(=C\C(=O)Nc2cccc([O-])c2Br)C1 ZINC000908709285 1036490608 /nfs/dbraw/zinc/49/06/08/1036490608.db2.gz MXPZYFBWBZMWDQ-NCXKZPMSSA-N -1 1 310.191 3.840 20 0 DHADMM O=C(Nc1cccc([O-])c1Br)[C@@]12C[C@@H]1CCCC2 ZINC000908716594 1036492905 /nfs/dbraw/zinc/49/29/05/1036492905.db2.gz HTQFNUWXUQWRDW-XPTSAGLGSA-N -1 1 310.191 3.674 20 0 DHADMM O=C(C=C1CCCCC1)Nc1cccc([O-])c1Br ZINC000908716913 1036493574 /nfs/dbraw/zinc/49/35/74/1036493574.db2.gz RJHKBPSBEPHPSF-UHFFFAOYSA-N -1 1 310.191 3.984 20 0 DHADMM Cc1cccc(NC(=S)Nc2cc(Cl)ncc2[O-])c1C ZINC001196391935 1036520134 /nfs/dbraw/zinc/52/01/34/1036520134.db2.gz IQKGYVQWXAFRJT-UHFFFAOYSA-N -1 1 307.806 3.866 20 0 DHADMM C[C@H](CCc1cccc(F)c1)C(=O)Nc1nc(Cl)ccc1[O-] ZINC001183210080 1036551101 /nfs/dbraw/zinc/55/11/01/1036551101.db2.gz QLPIYCYITKAVTF-SNVBAGLBSA-N -1 1 322.767 3.787 20 0 DHADMM CC[C@H](OC1CCCCC1)C(=O)Nc1cc([O-])c(F)cc1F ZINC000909985499 1036729277 /nfs/dbraw/zinc/72/92/77/1036729277.db2.gz ZVISCJSWDDJZGR-HNNXBMFYSA-N -1 1 313.344 3.737 20 0 DHADMM CCc1ccc2c(c1)CN(Cc1ccc([O-])c(F)c1F)CC2 ZINC001184417837 1036842411 /nfs/dbraw/zinc/84/24/11/1036842411.db2.gz IHMJKGIQONEGJL-UHFFFAOYSA-N -1 1 303.352 3.791 20 0 DHADMM Fc1cc(-c2cc([N-]c3cnoc3)on2)ccc1Br ZINC001203230966 1036979372 /nfs/dbraw/zinc/97/93/72/1036979372.db2.gz BDZZCGUTGBJVNE-UHFFFAOYSA-N -1 1 324.109 3.975 20 0 DHADMM Cc1sc(Cl)nc1C(=O)[N-]c1nc(C(C)(C)C)ns1 ZINC000762866828 1036993551 /nfs/dbraw/zinc/99/35/51/1036993551.db2.gz XLEGAXMCAYYZKD-UHFFFAOYSA-N -1 1 316.839 3.506 20 0 DHADMM Cc1ccc(C(=O)Nc2cc(F)cc(F)c2[O-])c(C(C)C)n1 ZINC000910987846 1037022330 /nfs/dbraw/zinc/02/23/30/1037022330.db2.gz NYQPOOREUUSSEU-UHFFFAOYSA-N -1 1 306.312 3.750 20 0 DHADMM O=S(=O)(Cc1cc(F)cc(F)c1)[N-]c1cccc2occc21 ZINC001185137923 1037035463 /nfs/dbraw/zinc/03/54/63/1037035463.db2.gz RAKGIKBCYGHLMX-UHFFFAOYSA-N -1 1 323.320 3.653 20 0 DHADMM [O-]c1cc(Cl)c(Cl)cc1NC(=S)NC1CCCC1 ZINC001198552881 1037069697 /nfs/dbraw/zinc/06/96/97/1037069697.db2.gz XEFZNGYGCDVYKN-UHFFFAOYSA-N -1 1 305.230 3.928 20 0 DHADMM O=C(Nc1ccc(F)c(F)c1F)Nc1cc([O-])c(F)cc1F ZINC001185330230 1037113165 /nfs/dbraw/zinc/11/31/65/1037113165.db2.gz WOHOSCITURNLMU-UHFFFAOYSA-N -1 1 318.201 3.732 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2ccc3occc3c2)cc1C ZINC001198816449 1037138364 /nfs/dbraw/zinc/13/83/64/1037138364.db2.gz KIOZJUCQQWBJNF-UHFFFAOYSA-N -1 1 301.367 3.850 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2ccc3occc3c2)c(C)c1 ZINC001198816898 1037139668 /nfs/dbraw/zinc/13/96/68/1037139668.db2.gz REBKCWKAMHFRQL-UHFFFAOYSA-N -1 1 301.367 3.850 20 0 DHADMM O=C([O-])c1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1 ZINC000061811135 1037271160 /nfs/dbraw/zinc/27/11/60/1037271160.db2.gz IXDAQRZFDJJFIZ-UHFFFAOYSA-N -1 1 317.142 3.691 20 0 DHADMM Cc1cc(NC(=O)c2ccc([O-])c(F)c2)cc2scnc21 ZINC001186225435 1037338453 /nfs/dbraw/zinc/33/84/53/1037338453.db2.gz DJJVWMLOOGTVTM-UHFFFAOYSA-N -1 1 302.330 3.702 20 0 DHADMM Cc1cc(NC(=O)c2ccc([O-])c(F)c2)c2ccsc2n1 ZINC001186208296 1037344929 /nfs/dbraw/zinc/34/49/29/1037344929.db2.gz ALOIPYALXRDQGN-UHFFFAOYSA-N -1 1 302.330 3.702 20 0 DHADMM Cc1cc(OC(F)F)ccc1NC(=O)c1ccc([O-])cc1F ZINC001186328819 1037359363 /nfs/dbraw/zinc/35/93/63/1037359363.db2.gz LCSQRWIQQNRPNS-UHFFFAOYSA-N -1 1 311.259 3.693 20 0 DHADMM O=C(Nc1cc(F)c(F)cc1[O-])N[C@H]1CCCc2ccccc21 ZINC001186458280 1037422101 /nfs/dbraw/zinc/42/21/01/1037422101.db2.gz RXBSGPOYYSIAKH-AWEZNQCLSA-N -1 1 318.323 3.870 20 0 DHADMM COCc1ccccc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000055595315 1037442610 /nfs/dbraw/zinc/44/26/10/1037442610.db2.gz VCFCYRZJSFIBFP-UHFFFAOYSA-N -1 1 319.426 3.559 20 0 DHADMM [O-]c1cc(F)c(NC(=S)Nc2ccc(F)cc2F)c(F)c1 ZINC001200933753 1037468553 /nfs/dbraw/zinc/46/85/53/1037468553.db2.gz SYFCOJWGQDJSFB-UHFFFAOYSA-N -1 1 316.279 3.758 20 0 DHADMM O=C(CSc1nccn1Cc1ccccc1)c1ccc([O-])cc1 ZINC000026043146 1037473573 /nfs/dbraw/zinc/47/35/73/1037473573.db2.gz GAJULPWEIBGEBM-UHFFFAOYSA-N -1 1 324.405 3.612 20 0 DHADMM Cc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)c(N)c1Cl ZINC001151582378 1037490415 /nfs/dbraw/zinc/49/04/15/1037490415.db2.gz HMBIYCJUZYLEJB-UHFFFAOYSA-N -1 1 311.168 3.842 20 0 DHADMM Cc1cc(NC(=S)Nc2cc(F)c([O-])c(F)c2)ccc1F ZINC001201037842 1037517830 /nfs/dbraw/zinc/51/78/30/1037517830.db2.gz KLZPTELUWISQDF-UHFFFAOYSA-N -1 1 312.316 3.927 20 0 DHADMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(F)nc2)cc1 ZINC000152788354 1037583477 /nfs/dbraw/zinc/58/34/77/1037583477.db2.gz NBUZZOOQVKQVPI-NSHDSACASA-N -1 1 308.378 3.535 20 0 DHADMM O=C(Nc1cc(F)cc(F)c1)Nc1cc(F)c([O-])cc1F ZINC001187576447 1037666997 /nfs/dbraw/zinc/66/69/97/1037666997.db2.gz CGMTXGHPKCQXMV-UHFFFAOYSA-N -1 1 300.211 3.593 20 0 DHADMM CC(C)N(C)c1ccc(NC(=O)c2ccccc2[O-])cc1F ZINC000916433106 1037756991 /nfs/dbraw/zinc/75/69/91/1037756991.db2.gz GZMUSMPLQBUHBA-UHFFFAOYSA-N -1 1 302.349 3.628 20 0 DHADMM O=C(NCc1ccco1)Nc1cc(Cl)c(Cl)cc1[O-] ZINC001188168943 1037836559 /nfs/dbraw/zinc/83/65/59/1037836559.db2.gz SYQYMHKFSADHSF-UHFFFAOYSA-N -1 1 301.129 3.614 20 0 DHADMM COc1ccc(OC)c(NC(=O)Nc2cccc([O-])c2Cl)c1 ZINC001188346071 1037872351 /nfs/dbraw/zinc/87/23/51/1037872351.db2.gz SUSRCSGGPKQDDW-UHFFFAOYSA-N -1 1 322.748 3.707 20 0 DHADMM CCc1cc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])cc(C)n1 ZINC001188347460 1037872502 /nfs/dbraw/zinc/87/25/02/1037872502.db2.gz CIJWFGQTFPZKHE-UHFFFAOYSA-N -1 1 324.302 3.929 20 0 DHADMM Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccccc1[O-] ZINC000124325900 1037894208 /nfs/dbraw/zinc/89/42/08/1037894208.db2.gz UPYJKHWSXIKRJB-UHFFFAOYSA-N -1 1 321.336 3.535 20 0 DHADMM Cc1cccc(N)c1NC(=O)c1ccc([O-])c(C(F)(F)F)c1 ZINC001188585798 1037938440 /nfs/dbraw/zinc/93/84/40/1037938440.db2.gz JGOMHTLYJHFBOQ-UHFFFAOYSA-N -1 1 310.275 3.554 20 0 DHADMM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2F)C[C@H]1C ZINC001189048191 1038053007 /nfs/dbraw/zinc/05/30/07/1038053007.db2.gz DPPPTZQHVLQKTQ-FOGDFJRCSA-N -1 1 319.829 3.582 20 0 DHADMM Cc1nc(SCc2cc(C(F)(F)F)co2)[n-]c(=O)c1C ZINC001189062053 1038059510 /nfs/dbraw/zinc/05/95/10/1038059510.db2.gz SHUFMWPHUJTKNO-UHFFFAOYSA-N -1 1 304.293 3.703 20 0 DHADMM CC(=O)c1ccccc1[N-]S(=O)(=O)C=Cc1ccc(C)cc1 ZINC000055560653 1038187746 /nfs/dbraw/zinc/18/77/46/1038187746.db2.gz JFFRVGROZOPJAZ-VAWYXSNFSA-N -1 1 315.394 3.610 20 0 DHADMM CCOc1cc(C(=O)N(C)CCC(C)(C)C)cc(Cl)c1[O-] ZINC000649026293 1038228132 /nfs/dbraw/zinc/22/81/32/1038228132.db2.gz LYMVBEHJPSUJQN-UHFFFAOYSA-N -1 1 313.825 3.953 20 0 DHADMM O=S(=O)(CCCF)[N-]c1ccccc1Oc1ccccc1 ZINC001189911117 1038230898 /nfs/dbraw/zinc/23/08/98/1038230898.db2.gz ITIWTBFQXZRBCR-UHFFFAOYSA-N -1 1 309.362 3.580 20 0 DHADMM Cc1cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc(Cl)n1 ZINC001190472817 1038326509 /nfs/dbraw/zinc/32/65/09/1038326509.db2.gz YNCUVDVRELZWPI-UHFFFAOYSA-N -1 1 322.817 3.722 20 0 DHADMM O=S(=O)([N-]c1ccc(-c2cccs2)cc1)c1ccncc1 ZINC001190888013 1038402492 /nfs/dbraw/zinc/40/24/92/1038402492.db2.gz PUAPZLRFLZRZEY-UHFFFAOYSA-N -1 1 316.407 3.611 20 0 DHADMM O=S(=O)([N-]c1cccc(-c2cccs2)c1)c1ccncc1 ZINC001190898271 1038402998 /nfs/dbraw/zinc/40/29/98/1038402998.db2.gz SWFLXPHQVMDTAZ-UHFFFAOYSA-N -1 1 316.407 3.611 20 0 DHADMM CCCCc1ccc(S(=O)(=O)[N-]c2cnc(F)cc2C)cc1 ZINC001191224964 1038471286 /nfs/dbraw/zinc/47/12/86/1038471286.db2.gz LQLPXKTXPDBKLS-UHFFFAOYSA-N -1 1 322.405 3.673 20 0 DHADMM CCCCc1ccc(S(=O)(=O)[N-]c2cnc(C)cc2C)cc1 ZINC001191232958 1038473024 /nfs/dbraw/zinc/47/30/24/1038473024.db2.gz GZNPNIQDBJJTBI-UHFFFAOYSA-N -1 1 318.442 3.842 20 0 DHADMM CC[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000572609481 1038473442 /nfs/dbraw/zinc/47/34/42/1038473442.db2.gz RCKPPIZUPUBBKA-NOZJJQNGSA-N -1 1 302.201 3.851 20 0 DHADMM CSc1nc(NC(=O)Nc2cc(C)ccc2Cl)cc(=O)[n-]1 ZINC001191672325 1038527239 /nfs/dbraw/zinc/52/72/39/1038527239.db2.gz AFAUKBGSAQUSRK-UHFFFAOYSA-N -1 1 324.793 3.510 20 0 DHADMM C[C@H]1CC[C@H](NC(=O)Nc2cc([O-])c(Cl)cc2F)CC1 ZINC001191823773 1038553981 /nfs/dbraw/zinc/55/39/81/1038553981.db2.gz ZYGTXRZUKKSLAB-KYZUINATSA-N -1 1 300.761 3.885 20 0 DHADMM Cc1cc(C)c([N-]S(=O)(=O)C(Cl)(Cl)Cl)c(C)c1 ZINC001192035683 1038580727 /nfs/dbraw/zinc/58/07/27/1038580727.db2.gz VXYFPBLHSSRSHI-UHFFFAOYSA-N -1 1 316.637 3.681 20 0 DHADMM COc1ccc(C)nc1NC(=O)c1ccc(C(C)(C)C)cc1[O-] ZINC001192313363 1038626027 /nfs/dbraw/zinc/62/60/27/1038626027.db2.gz CIVCSOGHDLPVDT-UHFFFAOYSA-N -1 1 314.385 3.654 20 0 DHADMM COc1ccc([C@H](C)N(C)C(=O)c2c(F)ccc([O-])c2F)cc1 ZINC001192535961 1038679216 /nfs/dbraw/zinc/67/92/16/1038679216.db2.gz NNKPJLSVZQOJNO-JTQLQIEISA-N -1 1 321.323 3.512 20 0 DHADMM CCc1ccc(OC)c(S(=O)(=O)[N-]c2c(C)cccc2F)c1 ZINC001192805689 1038702919 /nfs/dbraw/zinc/70/29/19/1038702919.db2.gz MOCIJFWUIXTZHR-UHFFFAOYSA-N -1 1 323.389 3.506 20 0 DHADMM COc1cccc([C@H](C)NC(=O)Nc2cc(F)cc(F)c2[O-])c1 ZINC001192889745 1038712900 /nfs/dbraw/zinc/71/29/00/1038712900.db2.gz XXLVXALMHUJBQD-VIFPVBQESA-N -1 1 322.311 3.562 20 0 DHADMM C[C@H](CC1CCCC1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000603964721 1039252543 /nfs/dbraw/zinc/25/25/43/1039252543.db2.gz BOOCMRMMCPMUBH-GFCCVEGCSA-N -1 1 313.401 3.937 20 0 DHADMM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1c([O-])cccc1F ZINC000605439233 1039681558 /nfs/dbraw/zinc/68/15/58/1039681558.db2.gz GIXTWROGTFFKJB-SNVBAGLBSA-N -1 1 323.751 3.899 20 0 DHADMM O=C(Nc1c([O-])cccc1F)[C@H]1C[C@H]1c1ccccc1Cl ZINC000605440467 1039684702 /nfs/dbraw/zinc/68/47/02/1039684702.db2.gz SIKLSXGCCQZZME-QWRGUYRKSA-N -1 1 305.736 3.927 20 0 DHADMM O=C([O-])c1ccc2c(c1)CN(CCSC1CCCCC1)C2 ZINC000595280329 1040096111 /nfs/dbraw/zinc/09/61/11/1040096111.db2.gz CVKQRTIHFAUHSW-UHFFFAOYSA-N -1 1 305.443 3.766 20 0 DHADMM [O-]c1cccc(CN2CCc3ncc(Cl)cc3C2)c1Cl ZINC001232788864 1040415346 /nfs/dbraw/zinc/41/53/46/1040415346.db2.gz QLGHJIFESBRXQE-UHFFFAOYSA-N -1 1 309.196 3.652 20 0 DHADMM COc1ccc(C(=O)/C=C/c2ccc([O-])c(Cl)c2)cc1OC ZINC000060132487 1040454178 /nfs/dbraw/zinc/45/41/78/1040454178.db2.gz RBJFCSFONWEHLK-ZZXKWVIFSA-N -1 1 318.756 3.959 20 0 DHADMM Cc1ccc(C(C)C)cc1OCC(=O)Nc1c([O-])cccc1F ZINC000608365448 1040473376 /nfs/dbraw/zinc/47/33/76/1040473376.db2.gz FTCRXBMXMBGOHQ-UHFFFAOYSA-N -1 1 317.360 3.981 20 0 DHADMM O=C(Nc1c([O-])cccc1F)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000608367394 1040474740 /nfs/dbraw/zinc/47/47/40/1040474740.db2.gz YHINQQXVQNTEQH-IFXJQAMLSA-N -1 1 311.356 3.764 20 0 DHADMM O=C(Nc1c([O-])cccc1F)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000608367004 1040474776 /nfs/dbraw/zinc/47/47/76/1040474776.db2.gz GBPRIGJIOXVITK-MWLCHTKSSA-N -1 1 307.271 3.552 20 0 DHADMM Cc1nc(CC(C)C)sc1C(=O)Nc1c([O-])cccc1F ZINC000608366163 1040475611 /nfs/dbraw/zinc/47/56/11/1040475611.db2.gz FMADWZNUOMGDMR-UHFFFAOYSA-N -1 1 308.378 3.747 20 0 DHADMM O=C(Nc1c([O-])cccc1F)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000608367303 1040475645 /nfs/dbraw/zinc/47/56/45/1040475645.db2.gz VVHKFNWICGBMSS-WDEREUQCSA-N -1 1 307.271 3.552 20 0 DHADMM O=C(CCCc1cc(F)ccc1F)Nc1ccc(F)cc1[O-] ZINC000534181815 1040742296 /nfs/dbraw/zinc/74/22/96/1040742296.db2.gz NFRBAZNRZRXJGW-UHFFFAOYSA-N -1 1 309.287 3.771 20 0 DHADMM O=c1nc(-c2ccc(Oc3cccnc3)cc2)[n-]c2ccsc21 ZINC000520128921 335036543 /nfs/dbraw/zinc/03/65/43/335036543.db2.gz XWYFOGYIIWHLLO-UHFFFAOYSA-N -1 1 321.361 3.839 20 0 DHADMM C[C@@H]1CCCCN1Cc1ccc(C(=O)[O-])cc1Br ZINC000039951958 183023698 /nfs/dbraw/zinc/02/36/98/183023698.db2.gz FLXTZNAJXZWZTA-SNVBAGLBSA-N -1 1 312.207 3.522 20 0 DHADMM CC(=O)[C@@H]1C[C@H](CC(=O)Nc2ccc([O-])c(Cl)c2)C1(C)C ZINC000273586450 130140127 /nfs/dbraw/zinc/14/01/27/130140127.db2.gz FLHGOYKCXKTGOC-PWSUYJOCSA-N -1 1 309.793 3.626 20 0 DHADMM CCCS(=O)(=O)[N-]c1cc(Cl)ccc1C(F)(F)F ZINC000284965879 131126968 /nfs/dbraw/zinc/12/69/68/131126968.db2.gz CNVUJENFYODOLA-UHFFFAOYSA-N -1 1 301.717 3.511 20 0 DHADMM O=C(c1ccc2ccccc2c1[O-])N1CCCC[C@@H]1c1cc[nH]n1 ZINC000285891716 131208136 /nfs/dbraw/zinc/20/81/36/131208136.db2.gz CZDPOONYPJOBGB-QGZVFWFLSA-N -1 1 321.380 3.636 20 0 DHADMM O=C(NC[C@@H](c1ccccc1)C1CC1)c1c(F)ccc([O-])c1F ZINC000294591250 131846668 /nfs/dbraw/zinc/84/66/68/131846668.db2.gz MLPQKEWXZBUYPB-ZDUSSCGKSA-N -1 1 317.335 3.594 20 0 DHADMM CC(=O)c1cc(F)c([N-]C(=O)c2oc(C(C)C)nc2C)c(F)c1 ZINC000297903736 132040096 /nfs/dbraw/zinc/04/00/96/132040096.db2.gz SRTTXYKXDJUQGJ-UHFFFAOYSA-N -1 1 322.311 3.840 20 0 DHADMM CCCN(CC1CC1)C(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000298291130 132054358 /nfs/dbraw/zinc/05/43/58/132054358.db2.gz YTSOSJLUSFMCSL-UHFFFAOYSA-N -1 1 311.809 3.707 20 0 DHADMM O=C(c1cc(Cl)ccc1[O-])N1CCC(OC2CCCC2)CC1 ZINC000299578943 132112189 /nfs/dbraw/zinc/11/21/89/132112189.db2.gz VWZKYFLVRPVMPD-UHFFFAOYSA-N -1 1 323.820 3.609 20 0 DHADMM Cc1c(NCc2cnc(-c3ccccc3)[nH]2)cccc1C(=O)[O-] ZINC000340679551 132145965 /nfs/dbraw/zinc/14/59/65/132145965.db2.gz NJBCXVSKLDSELH-UHFFFAOYSA-N -1 1 307.353 3.695 20 0 DHADMM CC(C)[C@H]1C[C@](NCc2cccs2)(C(=O)[O-])c2ccccc21 ZINC000340690882 132157955 /nfs/dbraw/zinc/15/79/55/132157955.db2.gz NBMRBIJTPBZRIG-CRAIPNDOSA-N -1 1 315.438 3.961 20 0 DHADMM COc1ccc(-c2noc(-c3ccc([O-])cc3F)n2)cc1C ZINC000318478356 332877890 /nfs/dbraw/zinc/87/78/90/332877890.db2.gz ZKPFACRECINUPF-UHFFFAOYSA-N -1 1 300.289 3.565 20 0 DHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2cc3c(cccc3F)[nH]2)o1 ZINC000426768622 331909760 /nfs/dbraw/zinc/90/97/60/331909760.db2.gz ASJINSYHGGJKMT-OAHLLOKOSA-N -1 1 316.332 3.514 20 0 DHADMM CN(CC1CCCC1)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000558752179 331941320 /nfs/dbraw/zinc/94/13/20/331941320.db2.gz FZILAWCREOSDNO-UHFFFAOYSA-N -1 1 318.804 3.856 20 0 DHADMM Cc1ccc([C@@H](CC(=O)[O-])NCc2cc3ccc(F)cc3[nH]2)o1 ZINC000426775403 332031273 /nfs/dbraw/zinc/03/12/73/332031273.db2.gz SLQMLWUAOYBNTJ-OAHLLOKOSA-N -1 1 316.332 3.514 20 0 DHADMM C[C@@H]1CCN(C(=O)c2cc(F)ccc2[O-])[C@H](c2ccco2)C1 ZINC000091990858 332099711 /nfs/dbraw/zinc/09/97/11/332099711.db2.gz JIHLFAAKDQOSOK-RISCZKNCSA-N -1 1 303.333 3.738 20 0 DHADMM CC(=O)[C@@H](Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1)C(C)C ZINC000569483496 332101407 /nfs/dbraw/zinc/10/14/07/332101407.db2.gz OXAPGPUPXGRBTN-HNNXBMFYSA-N -1 1 316.426 3.863 20 0 DHADMM O=C([O-])[C@@H](NCc1ccc(F)cc1Cl)c1cccc(F)c1 ZINC000426825191 332157907 /nfs/dbraw/zinc/15/79/07/332157907.db2.gz LLZVSTCSZXCRBX-AWEZNQCLSA-N -1 1 311.715 3.534 20 0 DHADMM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccsc1 ZINC000560440461 332340073 /nfs/dbraw/zinc/34/00/73/332340073.db2.gz VBEGVXXCUGRIQA-UHFFFAOYSA-N -1 1 311.428 3.645 20 0 DHADMM CCc1ccc(C(=O)N2C[C@@H]3CCCN3c3ccccc32)c([O-])c1 ZINC000526048544 332348860 /nfs/dbraw/zinc/34/88/60/332348860.db2.gz ORTJYLXFYDNDLB-HNNXBMFYSA-N -1 1 322.408 3.584 20 0 DHADMM O=C(c1ncccc1[O-])N1CCC[C@@H](CCCc2ccccc2)C1 ZINC000427640184 332473713 /nfs/dbraw/zinc/47/37/13/332473713.db2.gz VOSLMVBIJMONLF-QGZVFWFLSA-N -1 1 324.424 3.662 20 0 DHADMM COc1ccc(C(=O)N2CCCc3c(C)cc(C)cc32)c([O-])c1 ZINC000171288137 332643241 /nfs/dbraw/zinc/64/32/41/332643241.db2.gz YJAIFUNNGWSRNI-UHFFFAOYSA-N -1 1 311.381 3.611 20 0 DHADMM O=C(Nc1c(-c2ccco2)nc2ccccn21)c1ccccc1[O-] ZINC000177628972 332994343 /nfs/dbraw/zinc/99/43/43/332994343.db2.gz PFFUZEGMUFILNQ-UHFFFAOYSA-N -1 1 319.320 3.552 20 0 DHADMM CCC[C@H](C(=O)[O-])N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000580206224 333006722 /nfs/dbraw/zinc/00/67/22/333006722.db2.gz WBMIDVJGQNEPSQ-CHWSQXEVSA-N -1 1 304.415 3.687 20 0 DHADMM C[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])[C@@H]1C ZINC000180590055 333029215 /nfs/dbraw/zinc/02/92/15/333029215.db2.gz 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/nfs/dbraw/zinc/52/64/17/333526417.db2.gz FENFYVUVDXDFPN-OAHLLOKOSA-N -1 1 307.752 3.703 20 0 DHADMM CC(=O)Nc1ccc([O-])c(-c2nc([C@H]3CCCC[C@@H]3C)no2)c1 ZINC000273850968 334052085 /nfs/dbraw/zinc/05/20/85/334052085.db2.gz LMDYJJOYGXOWIP-GWCFXTLKSA-N -1 1 315.373 3.694 20 0 DHADMM CCN(C(=O)c1cc(F)ccc1[O-])[C@@H](C)Cc1ccsc1 ZINC000275225328 334070223 /nfs/dbraw/zinc/07/02/23/334070223.db2.gz OIXXQCDRYOIAFO-NSHDSACASA-N -1 1 307.390 3.686 20 0 DHADMM CCC[C@@H]1C[C@@H](c2nc(-c3ccc([O-])c(F)c3)no2)CCO1 ZINC000278276728 334094312 /nfs/dbraw/zinc/09/43/12/334094312.db2.gz VWBWAJCHQNTBRX-NWDGAFQWSA-N -1 1 306.337 3.644 20 0 DHADMM COc1cc(C(=O)N2CC[C@]3(CC[C@H](C)C3)C2)cc(Cl)c1[O-] ZINC000443138414 338445374 /nfs/dbraw/zinc/44/53/74/338445374.db2.gz VHFZDVZQUDVNLJ-GTNSWQLSSA-N -1 1 323.820 3.707 20 0 DHADMM COc1cc(C(=O)Nc2ccc(F)c(F)c2)cc(Cl)c1[O-] ZINC000343038109 334597351 /nfs/dbraw/zinc/59/73/51/334597351.db2.gz JOPPDBZYQLQISB-UHFFFAOYSA-N -1 1 313.687 3.585 20 0 DHADMM O=C(c1ccc([O-])cc1F)N(Cc1c(F)cccc1F)C1CC1 ZINC000190016112 334920785 /nfs/dbraw/zinc/92/07/85/334920785.db2.gz OZDJTCVTSSKXRC-UHFFFAOYSA-N -1 1 321.298 3.614 20 0 DHADMM Cc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c(C)c1 ZINC000479505571 335418613 /nfs/dbraw/zinc/41/86/13/335418613.db2.gz RWUCVQUNESTDMD-UHFFFAOYSA-N -1 1 318.423 3.714 20 0 DHADMM O=C(NCc1csc2ccccc12)c1c(F)ccc([O-])c1F ZINC000347787585 335525008 /nfs/dbraw/zinc/52/50/08/335525008.db2.gz BZVKLQMVQZEMKR-UHFFFAOYSA-N -1 1 319.332 3.815 20 0 DHADMM CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000332336074 336168768 /nfs/dbraw/zinc/16/87/68/336168768.db2.gz QCHVPPPJDWXTRN-OCCSQVGLSA-N -1 1 321.808 3.759 20 0 DHADMM CCCN(C(=O)c1ncc(C)cc1[O-])[C@@H]1CCc2ccccc2C1 ZINC000332597192 336175498 /nfs/dbraw/zinc/17/54/98/336175498.db2.gz LHBGCYHCJOPQSY-QGZVFWFLSA-N -1 1 324.424 3.505 20 0 DHADMM COc1ccc([C@@H](C)CC(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000532622134 336257116 /nfs/dbraw/zinc/25/71/16/336257116.db2.gz DOVFFVUUPWVPND-NSHDSACASA-N -1 1 303.333 3.672 20 0 DHADMM O=C(Nc1ccc(Cl)cc1[O-])c1coc(-c2ccccc2)n1 ZINC000532839593 336272651 /nfs/dbraw/zinc/27/26/51/336272651.db2.gz KYDRBDZUSJDSOS-UHFFFAOYSA-N -1 1 314.728 3.953 20 0 DHADMM [O-]c1ccc(/C=C/c2ncc(Br)s2)cc1F ZINC000193050313 336295264 /nfs/dbraw/zinc/29/52/64/336295264.db2.gz RCMVSMZNFJNYNX-DUXPYHPUSA-N -1 1 300.152 3.921 20 0 DHADMM Clc1ccccc1-n1cc([N-]c2nc(C3CC3)ns2)cn1 ZINC000301945334 336339274 /nfs/dbraw/zinc/33/92/74/336339274.db2.gz BDAPTOJFZWKUOE-UHFFFAOYSA-N -1 1 317.805 3.998 20 0 DHADMM Cc1nc(-c2ccc(N[C@H](C)CCC3CC3)nc2)[n-]c(=O)c1C ZINC000302216217 336354389 /nfs/dbraw/zinc/35/43/89/336354389.db2.gz ILHIXBLXPIGIAQ-LLVKDONJSA-N -1 1 312.417 3.852 20 0 DHADMM [O-]c1cccc(CN2CCOc3cccc(F)c3C2)c1Cl ZINC000353349387 336413180 /nfs/dbraw/zinc/41/31/80/336413180.db2.gz GFCMMIVFEUBWPM-UHFFFAOYSA-N -1 1 307.752 3.579 20 0 DHADMM Cc1cc([C@@H]2CCN(C(=O)c3ccc([O-])cc3F)C2)cs1 ZINC000375392543 337010040 /nfs/dbraw/zinc/01/00/40/337010040.db2.gz RMBGDEPQOJIGSK-LLVKDONJSA-N -1 1 305.374 3.531 20 0 DHADMM COC(=O)c1c[n-]c(S[C@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000193547270 337077912 /nfs/dbraw/zinc/07/79/12/337077912.db2.gz WYJCNOWTXMTDHE-SSDOTTSWSA-N -1 1 314.769 3.842 20 0 DHADMM CCc1nnc([N-]C(=O)c2ccc(Oc3ccccc3)o2)s1 ZINC000176149986 337150494 /nfs/dbraw/zinc/15/04/94/337150494.db2.gz BHFRXXLTEPYGKL-UHFFFAOYSA-N -1 1 315.354 3.738 20 0 DHADMM CCCOc1cccc(CC(=O)Nc2ccc(F)cc2[O-])c1 ZINC000532900639 337165045 /nfs/dbraw/zinc/16/50/45/337165045.db2.gz PRGUEJAFNROALF-UHFFFAOYSA-N -1 1 303.333 3.501 20 0 DHADMM CC1(C)CCCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000582970440 337224388 /nfs/dbraw/zinc/22/43/88/337224388.db2.gz OSEWFBFEKJEZME-UHFFFAOYSA-N -1 1 314.385 3.662 20 0 DHADMM C[C@H](CC(=O)[O-])N(C)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000583036457 337232396 /nfs/dbraw/zinc/23/23/96/337232396.db2.gz SOFYTNXMCADEDW-SNVBAGLBSA-N -1 1 324.833 3.759 20 0 DHADMM CCOc1cc(C(=O)NCCC2=CCCC2)cc(Cl)c1[O-] ZINC000186928703 337260509 /nfs/dbraw/zinc/26/05/09/337260509.db2.gz OIANYKBHKNNCEO-UHFFFAOYSA-N -1 1 309.793 3.675 20 0 DHADMM CCOc1cc(C(=O)NCC2(CC)CCC2)cc(Cl)c1[O-] ZINC000186856972 337260789 /nfs/dbraw/zinc/26/07/89/337260789.db2.gz PTUFTJCAHAGOMK-UHFFFAOYSA-N -1 1 311.809 3.754 20 0 DHADMM COc1ccc(F)c(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000321532190 337275203 /nfs/dbraw/zinc/27/52/03/337275203.db2.gz SFTCXKAAQGHZDD-UHFFFAOYSA-N -1 1 311.312 3.945 20 0 DHADMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)[C@H]1CC2CCC1CC2 ZINC000514677494 337301242 /nfs/dbraw/zinc/30/12/42/337301242.db2.gz GBCBIGHMBRPLKX-WNYYMSAVSA-N -1 1 309.356 3.615 20 0 DHADMM Cc1cc2cc(CN[C@@H](CC(=O)[O-])c3ccncc3)oc2cc1C ZINC000583822871 337336873 /nfs/dbraw/zinc/33/68/73/337336873.db2.gz AMIAMCCYDJAEGV-KRWDZBQOSA-N -1 1 324.380 3.750 20 0 DHADMM CC(C)(C)c1csc(NC(=O)c2cc(-c3ccco3)n[nH]2)n1 ZINC000030605913 337390252 /nfs/dbraw/zinc/39/02/52/337390252.db2.gz SODGHHJWGFGWPT-UHFFFAOYSA-N -1 1 316.386 3.676 20 0 DHADMM CCCCc1noc([C@H](C)Sc2nc(CC)c(C)c(=O)[n-]2)n1 ZINC000580466521 337679771 /nfs/dbraw/zinc/67/97/71/337679771.db2.gz DIBHIAOJQQXXRO-JTQLQIEISA-N -1 1 322.434 3.632 20 0 DHADMM Cn1ccc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc21 ZINC000527489744 337745739 /nfs/dbraw/zinc/74/57/39/337745739.db2.gz LSOZIXAFAKSGCH-UHFFFAOYSA-N -1 1 320.801 3.633 20 0 DHADMM CC1(C)C[C@H](c2nc(-c3ccc([O-])cc3F)no2)C(C)(C)O1 ZINC000528167130 337791114 /nfs/dbraw/zinc/79/11/14/337791114.db2.gz JBUQLITUZVYGLD-LLVKDONJSA-N -1 1 306.337 3.642 20 0 DHADMM CCC(CC)c1nnc([N-]C(=O)c2conc2C(C)C)s1 ZINC000528127142 337791398 /nfs/dbraw/zinc/79/13/98/337791398.db2.gz URCLYPMGCMBZMH-UHFFFAOYSA-N -1 1 308.407 3.805 20 0 DHADMM CN(C(=O)c1ccc(Br)cc1[O-])C1CCCCC1 ZINC000044490422 337809971 /nfs/dbraw/zinc/80/99/71/337809971.db2.gz WCUIKSPVCIHZMG-UHFFFAOYSA-N -1 1 312.207 3.559 20 0 DHADMM [O-]c1ccc(-c2noc(Cc3ccc(F)cc3)n2)c(Cl)c1 ZINC000445446660 337844878 /nfs/dbraw/zinc/84/48/78/337844878.db2.gz FICANLJKTNGXCU-UHFFFAOYSA-N -1 1 304.708 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YBRJQHJTOCWUHM-UHFFFAOYSA-N -1 1 322.299 3.638 20 0 DHADMM Cn1cc(-c2nc(-c3ccc([O-])cc3F)no2)c2ccccc21 ZINC000445459417 338018464 /nfs/dbraw/zinc/01/84/64/338018464.db2.gz AQJXFMTUHWYRCL-UHFFFAOYSA-N -1 1 309.300 3.740 20 0 DHADMM [O-]c1ccc(-c2noc(/C=C/c3nc4ccccc4o3)n2)c(F)c1 ZINC000445464267 338038554 /nfs/dbraw/zinc/03/85/54/338038554.db2.gz STFKKNJKODJMPF-BQYQJAHWSA-N -1 1 323.283 3.893 20 0 DHADMM Cc1cc(C)c(CN[C@@H](C(=O)[O-])c2c(F)cccc2F)cc1C ZINC000426735782 338039926 /nfs/dbraw/zinc/03/99/26/338039926.db2.gz VGBFEXNUBPMRBE-QGZVFWFLSA-N -1 1 319.351 3.806 20 0 DHADMM CCc1ccc(S(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)cc1 ZINC000436157368 338259959 /nfs/dbraw/zinc/25/99/59/338259959.db2.gz YRFYLLURPNAWCU-UHFFFAOYSA-N -1 1 314.410 3.840 20 0 DHADMM CCc1cc(=O)[n-]c(SC[C@H]2CCCc3ccccc32)n1 ZINC000436208100 338262002 /nfs/dbraw/zinc/26/20/02/338262002.db2.gz UPJAGYWZKYGYSM-CYBMUJFWSA-N -1 1 300.427 3.957 20 0 DHADMM O=c1cc(C2CC2)nc(SCc2cccc(-n3cccn3)c2)[n-]1 ZINC000436255444 338263848 /nfs/dbraw/zinc/26/38/48/338263848.db2.gz XSPLZOVYNVLJQH-UHFFFAOYSA-N -1 1 324.409 3.538 20 0 DHADMM O=C(CSc1nc(C2CC2)cc(=O)[n-]1)c1cccc(Cl)c1 ZINC000436257323 338263987 /nfs/dbraw/zinc/26/39/87/338263987.db2.gz FILQICCGUBCFTB-UHFFFAOYSA-N -1 1 320.801 3.688 20 0 DHADMM COCC[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)c1ccccc1 ZINC000436263923 338264300 /nfs/dbraw/zinc/26/43/00/338264300.db2.gz UARZBTKEFUIXFQ-HNNXBMFYSA-N -1 1 316.426 3.930 20 0 DHADMM C[C@H](CCCC(F)(F)F)NC(=O)c1cc(Cl)ccc1[O-] ZINC000436808255 338288098 /nfs/dbraw/zinc/28/80/98/338288098.db2.gz OISJEAKFOAFEPL-MRVPVSSYSA-N -1 1 309.715 3.897 20 0 DHADMM O=C(Nc1ccc2ccc(Cl)cc2n1)c1ccc([O-])cc1F ZINC000436497295 338274347 /nfs/dbraw/zinc/27/43/47/338274347.db2.gz RVHKQGGUEIDFFP-UHFFFAOYSA-N -1 1 316.719 3.985 20 0 DHADMM Cc1noc2ncc(NC(=O)c3ccc4ccccc4c3[O-])cc12 ZINC000436532897 338275512 /nfs/dbraw/zinc/27/55/12/338275512.db2.gz HMKWWWREJJUZLH-UHFFFAOYSA-N -1 1 319.320 3.642 20 0 DHADMM C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccc(Cl)cn1 ZINC000436542197 338276230 /nfs/dbraw/zinc/27/62/30/338276230.db2.gz AFEFVWRXYBPPLZ-MRVPVSSYSA-N -1 1 311.168 3.585 20 0 DHADMM O=C(Nc1nc(-c2ccco2)cs1)c1cc(F)ccc1[O-] ZINC000436553976 338276817 /nfs/dbraw/zinc/27/68/17/338276817.db2.gz JCQQBPJIXGFYEC-UHFFFAOYSA-N -1 1 304.302 3.500 20 0 DHADMM C[C@@H](CCc1cccn1C)NC(=O)c1ccc2ccccc2c1[O-] ZINC000436568041 338277431 /nfs/dbraw/zinc/27/74/31/338277431.db2.gz UZIZOEYGRNATLZ-AWEZNQCLSA-N -1 1 322.408 3.635 20 0 DHADMM Cc1cc2c[nH]nc2cc1NC(=O)c1ccc2ccccc2c1[O-] ZINC000436568972 338277521 /nfs/dbraw/zinc/27/75/21/338277521.db2.gz YGACWFDPOGEOCA-UHFFFAOYSA-N -1 1 317.348 3.982 20 0 DHADMM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cc(F)ccc1[O-] ZINC000436575763 338278006 /nfs/dbraw/zinc/27/80/06/338278006.db2.gz NKIBAPAUSINXDP-UKRRQHHQSA-N -1 1 313.372 3.625 20 0 DHADMM O=C(Nc1ccc2nc(C3CC3)oc2c1)c1cc(F)ccc1[O-] ZINC000436583804 338278421 /nfs/dbraw/zinc/27/84/21/338278421.db2.gz LDAWVAOCQXSDRY-UHFFFAOYSA-N -1 1 312.300 3.802 20 0 DHADMM O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1cc(F)ccc1[O-] ZINC000436584918 338278597 /nfs/dbraw/zinc/27/85/97/338278597.db2.gz KHXOOAWABQMPKP-UWVGGRQHSA-N -1 1 319.298 3.630 20 0 DHADMM C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000436588147 338278738 /nfs/dbraw/zinc/27/87/38/338278738.db2.gz HKCPJSVWJCOMSP-LLVKDONJSA-N -1 1 301.773 3.633 20 0 DHADMM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000436592450 338278885 /nfs/dbraw/zinc/27/88/85/338278885.db2.gz VKROEUSSYJUGFJ-MRXNPFEDSA-N -1 1 315.388 3.933 20 0 DHADMM O=C(N[C@H]1CC[C@H](c2ccccc2F)C1)c1c([O-])cccc1F ZINC000436594073 338279161 /nfs/dbraw/zinc/27/91/61/338279161.db2.gz FPDFEQRQOARBSY-RYUDHWBXSA-N -1 1 317.335 3.737 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCc2cccc(F)c21 ZINC000436598239 338279265 /nfs/dbraw/zinc/27/92/65/338279265.db2.gz YLRNRGDVKGXYER-UHFFFAOYSA-N -1 1 307.324 3.887 20 0 DHADMM C[C@H](Cc1cccc(O)c1)NC(=O)c1ccc2ccccc2c1[O-] ZINC000436607674 338279723 /nfs/dbraw/zinc/27/97/23/338279723.db2.gz SWMVCVCYNCKSCU-CYBMUJFWSA-N -1 1 321.376 3.612 20 0 DHADMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H]1/C=C/c1ccccc1 ZINC000436626417 338280449 /nfs/dbraw/zinc/28/04/49/338280449.db2.gz IQBAQNCVWLWHAX-DZZUKKPASA-N -1 1 311.356 3.849 20 0 DHADMM CCOc1ccc(CNC(=O)c2ccc([O-])cc2F)cc1Cl ZINC000436698727 338283290 /nfs/dbraw/zinc/28/32/90/338283290.db2.gz ZQBSUWBUIAHKCN-UHFFFAOYSA-N -1 1 323.751 3.513 20 0 DHADMM CCN(C(=O)c1cc(Cl)c([O-])c(OC)c1)c1ccc(F)cc1 ZINC000436734668 338284624 /nfs/dbraw/zinc/28/46/24/338284624.db2.gz BJZIUKDPNBTFST-UHFFFAOYSA-N -1 1 323.751 3.860 20 0 DHADMM CC[C@@H](c1ccccc1OC)N(C)C(=O)c1cc(F)ccc1[O-] ZINC000436743068 338285009 /nfs/dbraw/zinc/28/50/09/338285009.db2.gz WPXXFVPBMSRZME-HNNXBMFYSA-N -1 1 317.360 3.763 20 0 DHADMM O=C(NCc1nccc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000436755598 338285784 /nfs/dbraw/zinc/28/57/84/338285784.db2.gz NDELDRBXFVEPIY-UHFFFAOYSA-N -1 1 312.756 3.524 20 0 DHADMM COc1ccc(C(=O)Nc2c(C)cc(OC)c(C)c2C)c([O-])c1 ZINC000436782711 338287059 /nfs/dbraw/zinc/28/70/59/338287059.db2.gz YLEKJOZMDYBQNZ-UHFFFAOYSA-N -1 1 315.369 3.587 20 0 DHADMM O=C(N[C@@H](c1cccnc1)C1CC1)c1cc2ccccc2cc1[O-] ZINC000436823523 338288650 /nfs/dbraw/zinc/28/86/50/338288650.db2.gz BMTXTQRWDHJVCB-LJQANCHMSA-N -1 1 318.376 3.822 20 0 DHADMM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cc(F)ccc3[O-])C2)cc1 ZINC000436829812 338289003 /nfs/dbraw/zinc/28/90/03/338289003.db2.gz TYWHKGRXEAKGKV-UKRRQHHQSA-N -1 1 313.372 3.858 20 0 DHADMM CC(C)Oc1c(F)cc(NC(=O)c2ccccc2[O-])cc1F ZINC000436837230 338289381 /nfs/dbraw/zinc/28/93/81/338289381.db2.gz OLBILEQFGDSHAZ-UHFFFAOYSA-N -1 1 307.296 3.710 20 0 DHADMM Cc1cccc([C@@H]2CCN(C(=O)c3cc(Cl)ccc3[O-])C2)c1 ZINC000436852166 338289871 /nfs/dbraw/zinc/28/98/71/338289871.db2.gz NXNQJSBEISHXAJ-CQSZACIVSA-N -1 1 315.800 3.984 20 0 DHADMM O=C([O-])c1ccnc(/C=C\c2cc(Cl)c(O)cc2Cl)c1 ZINC000436853144 338290071 /nfs/dbraw/zinc/29/00/71/338290071.db2.gz BXCFJYSKRBCHHO-UPHRSURJSA-N -1 1 310.136 3.963 20 0 DHADMM CCOc1c(F)cccc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000436874389 338291049 /nfs/dbraw/zinc/29/10/49/338291049.db2.gz PZLNNWJDAVKRSS-UHFFFAOYSA-N -1 1 318.279 3.786 20 0 DHADMM [O-]c1ccc(-c2noc(-c3ccccc3OC3CC3)n2)c(F)c1 ZINC000436877773 338291340 /nfs/dbraw/zinc/29/13/40/338291340.db2.gz HNJXDDAMDUQPQJ-UHFFFAOYSA-N -1 1 312.300 3.790 20 0 DHADMM Cc1nc2ccc(NC(=O)c3cc(F)c([O-])c(Cl)c3)cc2[nH]1 ZINC000436888009 338291915 /nfs/dbraw/zinc/29/19/15/338291915.db2.gz YWWQCYMUGHFPAB-UHFFFAOYSA-N -1 1 319.723 3.622 20 0 DHADMM COc1cccc([C@@H](C)NC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000436908928 338293057 /nfs/dbraw/zinc/29/30/57/338293057.db2.gz KCIAWAOISMVFJH-SNVBAGLBSA-N -1 1 305.761 3.545 20 0 DHADMM O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)c1c([O-])cccc1F ZINC000436917575 338293299 /nfs/dbraw/zinc/29/32/99/338293299.db2.gz ZVDFOHCSCVWSGC-UWVGGRQHSA-N -1 1 319.298 3.630 20 0 DHADMM O=C(N[C@H]1C[C@H]1c1c(F)cccc1Cl)c1c([O-])cccc1F ZINC000436953061 338295559 /nfs/dbraw/zinc/29/55/59/338295559.db2.gz ZXZYMVFEUMABRK-PELKAZGASA-N -1 1 323.726 3.610 20 0 DHADMM Cc1ccccc1C1=CCN(C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000436956974 338295842 /nfs/dbraw/zinc/29/58/42/338295842.db2.gz QLJIVIMDVLENNV-UHFFFAOYSA-N -1 1 313.784 3.893 20 0 DHADMM O=C(c1cc(Br)ccc1[O-])N1CC2(C1)CCCCC2 ZINC000436984307 338296724 /nfs/dbraw/zinc/29/67/24/338296724.db2.gz MGPMUGHMWDBYSP-UHFFFAOYSA-N -1 1 324.218 3.561 20 0 DHADMM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccsc2)cc1 ZINC000438775294 338352044 /nfs/dbraw/zinc/35/20/44/338352044.db2.gz SQKRTBPCVURZQS-UHFFFAOYSA-N -1 1 311.428 3.584 20 0 DHADMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000438813648 338352321 /nfs/dbraw/zinc/35/23/21/338352321.db2.gz YPAQZZCMJHVDJN-UHFFFAOYSA-N -1 1 313.781 3.897 20 0 DHADMM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc3ccoc3c2)c1 ZINC000442856252 338435139 /nfs/dbraw/zinc/43/51/39/338435139.db2.gz YTAKKFKAUPTKQA-UHFFFAOYSA-N -1 1 305.330 3.681 20 0 DHADMM O=C(c1cc2ccccc2cc1[O-])N1CCSC[C@H]1C1CC1 ZINC000456183270 338921584 /nfs/dbraw/zinc/92/15/84/338921584.db2.gz PRNZOSILOFBIDN-INIZCTEOSA-N -1 1 313.422 3.513 20 0 DHADMM COc1cc(C(=O)N[C@]2(C)CCCC[C@H]2C)cc(Cl)c1[O-] ZINC000457273379 338957610 /nfs/dbraw/zinc/95/76/10/338957610.db2.gz UZSNHGGSLCYSKI-QLJPJBMISA-N -1 1 311.809 3.753 20 0 DHADMM O=c1cc(CN2CCC[C@H]2c2cccc(F)c2)nc(C2CC2)[nH]1 ZINC000459296742 339020001 /nfs/dbraw/zinc/02/00/01/339020001.db2.gz HEHGYMKAKOSBTK-INIZCTEOSA-N -1 1 313.376 3.536 20 0 DHADMM CC(C)c1ccccc1S(=O)(=O)[N-]c1cccc2c1CCO2 ZINC000478684764 339520519 /nfs/dbraw/zinc/52/05/19/339520519.db2.gz LUGYGQIBMOXFBD-UHFFFAOYSA-N -1 1 317.410 3.546 20 0 DHADMM CCC[C@](C)(CC)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000479730486 339547198 /nfs/dbraw/zinc/54/71/98/339547198.db2.gz QNIGDCIMFRCWHN-KRWDZBQOSA-N -1 1 301.390 3.937 20 0 DHADMM O=S(=O)([N-]c1cccc(Cl)c1)c1cccc2ncccc21 ZINC000508032722 340237830 /nfs/dbraw/zinc/23/78/30/340237830.db2.gz MFVUNSNCPICEOZ-UHFFFAOYSA-N -1 1 318.785 3.689 20 0 DHADMM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccsc1 ZINC000508226072 340240594 /nfs/dbraw/zinc/24/05/94/340240594.db2.gz WVZXLSUXONFXMT-UHFFFAOYSA-N -1 1 309.456 3.982 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c(C)c1 ZINC000508454727 340243919 /nfs/dbraw/zinc/24/39/19/340243919.db2.gz XNPGYVNBBUCYCL-UHFFFAOYSA-N -1 1 300.383 3.586 20 0 DHADMM CC(C)N(CC(=O)OC(C)(C)C)Cc1cccc([O-])c1Cl ZINC000508777505 340252687 /nfs/dbraw/zinc/25/26/87/340252687.db2.gz FXFXZRMOVHNRTF-UHFFFAOYSA-N -1 1 313.825 3.598 20 0 DHADMM [O-]c1cccc(CN2CCOC3(C2)CCCCCC3)c1Cl ZINC000508853921 340254335 /nfs/dbraw/zinc/25/43/35/340254335.db2.gz DQWFKDZPZYJSRJ-UHFFFAOYSA-N -1 1 309.837 3.971 20 0 DHADMM [O-]c1cccc(CN2CCc3c(F)cc(F)cc3C2)c1Cl ZINC000508950947 340256113 /nfs/dbraw/zinc/25/61/13/340256113.db2.gz PJSQRQJTTQXTFW-UHFFFAOYSA-N -1 1 309.743 3.882 20 0 DHADMM [O-]c1cccc(CN2CCc3ccc(F)c(F)c3C2)c1Cl ZINC000509076224 340260594 /nfs/dbraw/zinc/26/05/94/340260594.db2.gz CSALCRXCXCKBAR-UHFFFAOYSA-N -1 1 309.743 3.882 20 0 DHADMM CCc1ccc([N-]S(=O)(=O)c2cccc(SC)c2)cc1 ZINC000509101134 340260762 /nfs/dbraw/zinc/26/07/62/340260762.db2.gz WWGCPOKERMJEBD-UHFFFAOYSA-N -1 1 307.440 3.772 20 0 DHADMM CSc1cccc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)c1 ZINC000509100989 340261336 /nfs/dbraw/zinc/26/13/36/340261336.db2.gz VWKMLVMVXJHBFN-UHFFFAOYSA-N -1 1 311.403 3.657 20 0 DHADMM COc1ccc([C@H](C)NC(=O)c2cc(Cl)ccc2[O-])cc1F ZINC000302702840 340279475 /nfs/dbraw/zinc/27/94/75/340279475.db2.gz UFAOIBXXBLKLNB-VIFPVBQESA-N -1 1 323.751 3.684 20 0 DHADMM COCCC1(C[NH2+]Cc2c(F)ccc([O-])c2F)CCCCC1 ZINC000512681939 340372922 /nfs/dbraw/zinc/37/29/22/340372922.db2.gz CWTWGAMJQGEKPR-UHFFFAOYSA-N -1 1 313.388 3.747 20 0 DHADMM Cc1ccc(S(=O)(=O)[N-]c2ccc3scnc3c2)cc1F ZINC000195447648 340579810 /nfs/dbraw/zinc/57/98/10/340579810.db2.gz NBJXARYBMKONJE-UHFFFAOYSA-N -1 1 322.386 3.545 20 0 DHADMM CCOc1cc(C(=O)NCc2ccccc2C)cc(Cl)c1[O-] ZINC000193969373 340586954 /nfs/dbraw/zinc/58/69/54/340586954.db2.gz HMALGAJXBSKLCY-UHFFFAOYSA-N -1 1 319.788 3.683 20 0 DHADMM COc1ccc(-c2nc(-c3cc(F)ccc3C)no2)c([O-])c1 ZINC000315701606 340676423 /nfs/dbraw/zinc/67/64/23/340676423.db2.gz OZPVSHFSNHILCI-UHFFFAOYSA-N -1 1 300.289 3.565 20 0 DHADMM C[C@]1(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CCOC1 ZINC000529538902 340761074 /nfs/dbraw/zinc/76/10/74/340761074.db2.gz NCWBOHXFYUXWNU-INIZCTEOSA-N -1 1 305.761 3.564 20 0 DHADMM O=C(C[C@H]1CCCO1)Nc1cc(Cl)c([O-])c2ccccc12 ZINC000529539815 340761152 /nfs/dbraw/zinc/76/11/52/340761152.db2.gz VHLLJRUFFLGIQD-SNVBAGLBSA-N -1 1 305.761 3.706 20 0 DHADMM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ncccc1[O-] ZINC000124298569 340798322 /nfs/dbraw/zinc/79/83/22/340798322.db2.gz VZAVLSBOYZNOBB-HZPDHXFCSA-N -1 1 310.397 3.586 20 0 DHADMM CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000124519283 340799557 /nfs/dbraw/zinc/79/95/57/340799557.db2.gz QBHBDZKCFMWWOH-UHFFFAOYSA-N -1 1 319.788 3.717 20 0 DHADMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)[C@@H](C)c1ccccc1 ZINC000538387796 340819742 /nfs/dbraw/zinc/81/97/42/340819742.db2.gz WQPRQQVGOBTECG-MNOVXSKESA-N -1 1 305.324 3.592 20 0 DHADMM CN1C(=O)c2ccc(Cl)cc2N[C@H]1c1ccc([O-])c(Cl)c1 ZINC000067438818 340857753 /nfs/dbraw/zinc/85/77/53/340857753.db2.gz CVOQZNJFRWBASP-CQSZACIVSA-N -1 1 323.179 3.895 20 0 DHADMM COc1ccc(C[N@@H+](C)CC(C)(C)C)c(Br)c1O ZINC000546973196 341189268 /nfs/dbraw/zinc/18/92/68/341189268.db2.gz INDXUVGBGPCUIE-UHFFFAOYSA-N -1 1 316.239 3.641 20 0 DHADMM COc1ccc(C)cc1[N-]S(=O)(=O)C[C@@H](C)c1ccccc1 ZINC000133408429 341174818 /nfs/dbraw/zinc/17/48/18/341174818.db2.gz ODRLFMXWKUJLHD-CQSZACIVSA-N -1 1 319.426 3.549 20 0 DHADMM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000547809555 341233700 /nfs/dbraw/zinc/23/37/00/341233700.db2.gz SLJMGUZIOIQZNW-QMMMGPOBSA-N -1 1 307.781 3.518 20 0 DHADMM COc1cc(C(=O)N[C@H](C)c2ccc(C)cc2)cc(Cl)c1[O-] ZINC000135752499 341245402 /nfs/dbraw/zinc/24/54/02/341245402.db2.gz MOLUVSMTOIUFPN-LLVKDONJSA-N -1 1 319.788 3.854 20 0 DHADMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000078677114 341246060 /nfs/dbraw/zinc/24/60/60/341246060.db2.gz KOSKRWZZMXCOBI-UHFFFAOYSA-N -1 1 320.801 3.931 20 0 DHADMM Cc1cc(C)c([N-]S(=O)(=O)c2cc(F)ccc2C)c(C)c1 ZINC000078967819 341250609 /nfs/dbraw/zinc/25/06/09/341250609.db2.gz SCFMICAOEUCAKG-UHFFFAOYSA-N -1 1 307.390 3.860 20 0 DHADMM COc1ccc([C@H](C)NC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000080028347 341268631 /nfs/dbraw/zinc/26/86/31/341268631.db2.gz HYKUAYFAUNSCNP-JTQLQIEISA-N -1 1 305.761 3.545 20 0 DHADMM CN(Cc1ccc(F)cc1Cl)C(=O)c1cc(F)ccc1[O-] ZINC000080026336 341268677 /nfs/dbraw/zinc/26/86/77/341268677.db2.gz GXTMEAUJZUUWCZ-UHFFFAOYSA-N -1 1 311.715 3.596 20 0 DHADMM CCc1cccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c1 ZINC000080938241 341277000 /nfs/dbraw/zinc/27/70/00/341277000.db2.gz HHKSYAMAQRJKJA-UHFFFAOYSA-N -1 1 300.383 3.531 20 0 DHADMM CC1(C)CN(C(=O)c2cc3ccccc3cc2[O-])CCS1 ZINC000081853349 341308769 /nfs/dbraw/zinc/30/87/69/341308769.db2.gz ULYKHWXQVGIYIC-UHFFFAOYSA-N -1 1 301.411 3.513 20 0 DHADMM Cc1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000551475111 341341999 /nfs/dbraw/zinc/34/19/99/341341999.db2.gz NBKSDMPBKPQPRQ-UHFFFAOYSA-N -1 1 317.744 3.727 20 0 DHADMM O=S(=O)([N-]Cc1cccc(Cl)c1)c1cc2ccccc2o1 ZINC000084935677 341363831 /nfs/dbraw/zinc/36/38/31/341363831.db2.gz RDXSKTWKCLYBNA-UHFFFAOYSA-N -1 1 321.785 3.565 20 0 DHADMM COc1cc(C(=O)N(C2CC2)C2CCCC2)cc(Cl)c1[O-] ZINC000153758002 341578297 /nfs/dbraw/zinc/57/82/97/341578297.db2.gz SRVWKZASSGHKBW-UHFFFAOYSA-N -1 1 309.793 3.601 20 0 DHADMM Cc1cc(C)cc(C[C@@H](C)NC(=O)c2ccc([O-])cc2F)c1 ZINC000154934853 341598607 /nfs/dbraw/zinc/59/86/07/341598607.db2.gz KFMWVKMVPYBWNP-CYBMUJFWSA-N -1 1 301.361 3.509 20 0 DHADMM CCN(CC(C)C)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000338369258 520410407 /nfs/dbraw/zinc/41/04/07/520410407.db2.gz YYTIAYPHQBUJHG-UHFFFAOYSA-N -1 1 306.793 3.712 20 0 DHADMM CN(CC(C)(C)C)C(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC000338382350 522542757 /nfs/dbraw/zinc/54/27/57/522542757.db2.gz AJPNQVGHIDXWCB-UHFFFAOYSA-N -1 1 306.793 3.712 20 0 DHADMM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cncc([O-])c1 ZINC000111586326 523103463 /nfs/dbraw/zinc/10/34/63/523103463.db2.gz HFFDCVIETLUWMA-ZWKOTPCHSA-N -1 1 310.397 3.586 20 0 DHADMM CN(Cc1n[nH]c(=O)[n-]1)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000337270451 523555880 /nfs/dbraw/zinc/55/58/80/523555880.db2.gz MSBXBXXOAWHRSB-OAHLLOKOSA-N -1 1 320.824 3.527 20 0 DHADMM O=c1nc(CN2CC[C@@H](CC3CCCC3)C2)[n-]c2ccsc21 ZINC000364258852 526376876 /nfs/dbraw/zinc/37/68/76/526376876.db2.gz QVVAVAHMMUZCNA-ZDUSSCGKSA-N -1 1 317.458 3.799 20 0 DHADMM CCCN(C(=O)C(=O)c1ccc([O-])cc1)[C@@H]1CCc2ccccc21 ZINC000287886479 535196398 /nfs/dbraw/zinc/19/63/98/535196398.db2.gz ZQZIHFVVMVBPSB-GOSISDBHSA-N -1 1 323.392 3.501 20 0 DHADMM CC1(c2ccccc2)CC(NC(=O)c2c(F)ccc([O-])c2F)C1 ZINC000289105782 535206995 /nfs/dbraw/zinc/20/69/95/535206995.db2.gz CMMWZUNJNLJIQT-UHFFFAOYSA-N -1 1 317.335 3.521 20 0 DHADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1cccc2ccccc21 ZINC000736138794 599394868 /nfs/dbraw/zinc/39/48/68/599394868.db2.gz RLPCIYCUFGQTCT-GFCCVEGCSA-N -1 1 316.368 3.588 20 0 DHADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1cccc2ccccc21 ZINC000736138794 599394871 /nfs/dbraw/zinc/39/48/71/599394871.db2.gz RLPCIYCUFGQTCT-GFCCVEGCSA-N -1 1 316.368 3.588 20 0 DHADMM CC(C)c1ccc([C@@H](C)Nc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000735925233 599399144 /nfs/dbraw/zinc/39/91/44/599399144.db2.gz ZWARWPMOAGZYOU-GFCCVEGCSA-N -1 1 308.389 3.558 20 0 DHADMM CC(C)c1ccc([C@@H](C)Nc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000735925233 599399148 /nfs/dbraw/zinc/39/91/48/599399148.db2.gz ZWARWPMOAGZYOU-GFCCVEGCSA-N -1 1 308.389 3.558 20 0 DHADMM C[C@@H](Nc1cccc(-c2nnn[n-]2)n1)c1cc2ccccc2s1 ZINC000736139635 599433737 /nfs/dbraw/zinc/43/37/37/599433737.db2.gz VXVJTRYNFFUFJQ-SNVBAGLBSA-N -1 1 322.397 3.650 20 0 DHADMM C[C@@H](Nc1cccc(-c2nn[n-]n2)n1)c1cc2ccccc2s1 ZINC000736139635 599433740 /nfs/dbraw/zinc/43/37/40/599433740.db2.gz VXVJTRYNFFUFJQ-SNVBAGLBSA-N -1 1 322.397 3.650 20 0 DHADMM CSc1ccc(CN[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000683175294 599788059 /nfs/dbraw/zinc/78/80/59/599788059.db2.gz TVCRQKWNTIXLFT-OAHLLOKOSA-N -1 1 323.364 3.602 20 0 DHADMM Cc1cc(CN[C@H](C(=O)[O-])c2cc(F)ccc2F)c(C)s1 ZINC000738388679 599788451 /nfs/dbraw/zinc/78/84/51/599788451.db2.gz LPGSKYYVUWYUIU-AWEZNQCLSA-N -1 1 311.353 3.559 20 0 DHADMM O=C([O-])c1ccoc1CNC1(c2ccc(Cl)cc2)CCC1 ZINC000740254432 599793757 /nfs/dbraw/zinc/79/37/57/599793757.db2.gz XFRNCUFDIWYYTF-UHFFFAOYSA-N -1 1 305.761 3.800 20 0 DHADMM C[C@@H](CN(Cc1c(Cl)cccc1Cl)C1CC1)C(=O)[O-] ZINC000652489396 599949752 /nfs/dbraw/zinc/94/97/52/599949752.db2.gz LLXVUUFBHQMTTH-VIFPVBQESA-N -1 1 302.201 3.679 20 0 DHADMM C[C@H](c1ccc(F)c(F)c1)N(C)Cc1ccc(F)cc1C(=O)[O-] ZINC000736716002 600083585 /nfs/dbraw/zinc/08/35/85/600083585.db2.gz FRQMSMOOJPHVOJ-SNVBAGLBSA-N -1 1 323.314 3.995 20 0 DHADMM Cc1oc(C(=O)[O-])cc1CNC(C)(C)c1ccc(Cl)cc1 ZINC000738964047 600101586 /nfs/dbraw/zinc/10/15/86/600101586.db2.gz POFYEGHDFUTWPB-UHFFFAOYSA-N -1 1 307.777 3.965 20 0 DHADMM CN(Cc1ccc(Cl)cc1F)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737472048 600408118 /nfs/dbraw/zinc/40/81/18/600408118.db2.gz JTHQQZRFYFENSF-OAHLLOKOSA-N -1 1 307.752 3.737 20 0 DHADMM Cc1cc(CN2CCS[C@@H](c3ccccc3)C2)oc1C(=O)[O-] ZINC000738386022 600412173 /nfs/dbraw/zinc/41/21/73/600412173.db2.gz RBGQUIHDQOWKMY-OAHLLOKOSA-N -1 1 317.410 3.576 20 0 DHADMM CC[C@@H](N[C@@H](C(=O)[O-])c1ccccc1)c1ccc(F)cc1F ZINC000736918825 600453183 /nfs/dbraw/zinc/45/31/83/600453183.db2.gz ALNONDPGAVOTDF-HZPDHXFCSA-N -1 1 305.324 3.831 20 0 DHADMM O=C([O-])c1ccc2c(c1)CN(CCCc1ccc(Cl)cc1)C2 ZINC000659791054 600712812 /nfs/dbraw/zinc/71/28/12/600712812.db2.gz LUDZZCZLRWOZCI-UHFFFAOYSA-N -1 1 315.800 3.987 20 0 DHADMM CCOc1ccc([C@@H](C)N[C@@H](C(=O)[O-])c2ccccc2F)cc1 ZINC000830064473 600734547 /nfs/dbraw/zinc/73/45/47/600734547.db2.gz STLJRHBJKNLJHO-SJKOYZFVSA-N -1 1 317.360 3.701 20 0 DHADMM CC[C@@](C)(NCc1cccc(C(=O)[O-])c1)c1nc(C)cs1 ZINC000263417132 601041988 /nfs/dbraw/zinc/04/19/88/601041988.db2.gz NPEMDVVHJQLDDT-MRXNPFEDSA-N -1 1 304.415 3.565 20 0 DHADMM CC[C@](C)(NCc1ccc(C(=O)[O-])cc1)c1nc(C)cs1 ZINC000263571371 601042325 /nfs/dbraw/zinc/04/23/25/601042325.db2.gz JHFFMZMLIHRKGF-INIZCTEOSA-N -1 1 304.415 3.565 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CNC(C)(C)c1ccc(F)cc1 ZINC000830375555 601417588 /nfs/dbraw/zinc/41/75/88/601417588.db2.gz PRZPNSXGJVSFDT-UHFFFAOYSA-N -1 1 305.349 3.704 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H]1c1ccc(C)o1 ZINC000574697121 601419077 /nfs/dbraw/zinc/41/90/77/601419077.db2.gz KTHBZXKATNEBGV-CYBMUJFWSA-N -1 1 303.358 3.779 20 0 DHADMM CC[C@](C)(NCc1cc(C(=O)[O-])sc1C)c1nc(C)cs1 ZINC000828693183 601647555 /nfs/dbraw/zinc/64/75/55/601647555.db2.gz RXRSLYVEXATNFS-HNNXBMFYSA-N -1 1 324.471 3.935 20 0 DHADMM C[C@H](NC(=O)[O-])c1ccc(NCc2ccc3nc[nH]c3c2)cc1 ZINC000825448295 603178751 /nfs/dbraw/zinc/17/87/51/603178751.db2.gz CECPHPUQNMYBBU-NSHDSACASA-N -1 1 310.357 3.504 20 0 DHADMM O=C([O-])Nc1ccc(CNCc2ccc(-c3ccccc3)o2)cn1 ZINC000832842110 603540573 /nfs/dbraw/zinc/54/05/73/603540573.db2.gz NQBSURTWVDOLRH-UHFFFAOYSA-N -1 1 323.352 3.721 20 0 DHADMM O=C([O-])N1CCc2cccc(CNCc3cc4ccccc4o3)c21 ZINC000832087265 603850641 /nfs/dbraw/zinc/85/06/41/603850641.db2.gz PFOLUVAMTBIZJN-UHFFFAOYSA-N -1 1 322.364 3.763 20 0 DHADMM Cc1cc(N2Cc3ccc(C(=O)[O-])cc3C2)c2cc(F)ccc2n1 ZINC000832892007 604265452 /nfs/dbraw/zinc/26/54/52/604265452.db2.gz RCPSOPSDUIVVRN-UHFFFAOYSA-N -1 1 322.339 3.901 20 0 DHADMM CCc1oc(C(=O)[O-])cc1CN1CCC[C@@H]1c1cccc(C)n1 ZINC000830368727 604368021 /nfs/dbraw/zinc/36/80/21/604368021.db2.gz ASNYQHWTCXBSGF-OAHLLOKOSA-N -1 1 314.385 3.581 20 0 DHADMM C[C@H]1CN(Cc2ccc(Cl)c(C(F)(F)F)c2)C[C@H]1C(=O)[O-] ZINC000833629666 604672596 /nfs/dbraw/zinc/67/25/96/604672596.db2.gz KUYXCVWTCINLTH-WCBMZHEXSA-N -1 1 321.726 3.511 20 0 DHADMM C[C@]1(C(=O)[O-])CCN(Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000263518845 604677292 /nfs/dbraw/zinc/67/72/92/604677292.db2.gz PXWHXUFOPZWUAE-ZDUSSCGKSA-N -1 1 321.726 3.655 20 0 DHADMM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1Cc1ccoc1C(=O)[O-] ZINC000568066064 604722101 /nfs/dbraw/zinc/72/21/01/604722101.db2.gz OMBVLZRGSXKYPE-GHMZBOCLSA-N -1 1 303.333 3.625 20 0 DHADMM O=C([O-])CCCN(Cc1nc2ccccc2o1)Cc1ccccc1 ZINC000568075031 604782426 /nfs/dbraw/zinc/78/24/26/604782426.db2.gz VTMHDZUAAUKINU-UHFFFAOYSA-N -1 1 324.380 3.695 20 0 DHADMM C[C@H](NCC(C)(C)NC(=O)[O-])c1nc(-c2ccccc2)cs1 ZINC000825484329 605107989 /nfs/dbraw/zinc/10/79/89/605107989.db2.gz GUZPLOGLKDFQEW-NSHDSACASA-N -1 1 319.430 3.507 20 0 DHADMM C[C@@H]1CCN(Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)C[C@H]1C ZINC000576113941 605216299 /nfs/dbraw/zinc/21/62/99/605216299.db2.gz DJXWJYLWRXFFCW-CHWSQXEVSA-N -1 1 314.385 3.518 20 0 DHADMM O=C([O-])N[C@@H]1C[C@@H](NCc2ccc(Cl)s2)c2ccccc21 ZINC000834158618 605795786 /nfs/dbraw/zinc/79/57/86/605795786.db2.gz OLDYAANTMHJVOV-CHWSQXEVSA-N -1 1 322.817 3.945 20 0 DHADMM