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(NCc1ccccc1)c1ccccc1OC1CN(Cc2ccc([O-])c(F)c2)C1 ZINC000257181474 970619754 /nfs/dbraw/zinc/61/97/54/970619754.db2.gz FPQJQWXVWRJAAR-UHFFFAOYSA-N -1 3 406.457 3.725 50 0 HHAAHM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000000627189 132229368 /nfs/dbraw/zinc/22/93/68/132229368.db2.gz NYOSTWIJPHIUIY-DHIUTWEWSA-N -1 3 421.541 3.838 50 0 HHAAHM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000000627186 132229383 /nfs/dbraw/zinc/22/93/83/132229383.db2.gz NYOSTWIJPHIUIY-XZOQPEGZSA-N -1 3 421.541 3.838 50 0 HHAAHM [O-]c1cc(N2CCOCC2)c2ccccc2c1Sc1nnnn1-c1ccccc1 ZINC000006393233 132310571 /nfs/dbraw/zinc/31/05/71/132310571.db2.gz VEQUYSQESFYCBJ-UHFFFAOYSA-N -1 3 405.483 3.509 50 0 HHAAHM CCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)ccc21 ZINC000012180506 132355746 /nfs/dbraw/zinc/35/57/46/132355746.db2.gz SNGMLWHFPFMWTN-UHFFFAOYSA-N -1 3 422.572 3.713 50 0 HHAAHM Cn1c(Sc2c([O-])cc(N3CCN(C)CC3)c3ccccc32)nnc1-c1ccco1 ZINC000012427830 132359775 /nfs/dbraw/zinc/35/97/75/132359775.db2.gz YSFORVZZBYAVET-UHFFFAOYSA-N -1 3 421.526 3.837 50 0 HHAAHM Cc1c([O-])ccc2c(COC(=O)c3cccc(OC[C@H]4CCCO4)c3)cc(=O)oc12 ZINC000032903531 525877865 /nfs/dbraw/zinc/87/78/65/525877865.db2.gz COVSVAJMSFOISL-GOSISDBHSA-N -1 3 410.422 3.722 50 0 HHAAHM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1cc(C2CC2)[nH]n1 ZINC000032776680 527372216 /nfs/dbraw/zinc/37/22/16/527372216.db2.gz POTLULCMYPFPRX-UHFFFAOYSA-N -1 3 416.890 3.994 50 0 HHAAHM CCOC(=O)[C@]([O-])(c1ccc(N(CC)C(=O)c2cccs2)cc1)C(F)(F)F ZINC000002841375 557401114 /nfs/dbraw/zinc/40/11/14/557401114.db2.gz IAGBDIZIUINRNK-QGZVFWFLSA-N -1 3 401.406 3.728 50 0 HHAAHM CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(-c2ccco2)[n-]1 ZINC000004210518 557528898 /nfs/dbraw/zinc/52/88/98/557528898.db2.gz LTTJVSIBFUEAIY-UHFFFAOYSA-N -1 3 406.489 3.651 50 0 HHAAHM CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc(-c2ccco2)n[n-]1 ZINC000004210518 557528901 /nfs/dbraw/zinc/52/89/01/557528901.db2.gz LTTJVSIBFUEAIY-UHFFFAOYSA-N -1 3 406.489 3.651 50 0 HHAAHM CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1n[n-]c(-c2ccco2)n1 ZINC000004210518 557528903 /nfs/dbraw/zinc/52/89/03/557528903.db2.gz LTTJVSIBFUEAIY-UHFFFAOYSA-N -1 3 406.489 3.651 50 0 HHAAHM COc1cc(-c2cc([N-]C(=O)c3noc4c3CCCCC4)on2)cc(OC)c1OC ZINC000007000112 557733120 /nfs/dbraw/zinc/73/31/20/557733120.db2.gz XGDRUQJPVGERPX-UHFFFAOYSA-N -1 3 413.430 3.877 50 0 HHAAHM CS(=O)(=O)[N-]c1ccccc1C1=NN(C(=O)c2ccccc2)[C@@H](c2ccco2)C1 ZINC000008774869 557807074 /nfs/dbraw/zinc/80/70/74/557807074.db2.gz SCROZXMAJPILRS-LJQANCHMSA-N -1 3 409.467 3.643 50 0 HHAAHM COc1cc(CN2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)cc(Cl)c1[O-] ZINC000012373204 558390634 /nfs/dbraw/zinc/39/06/34/558390634.db2.gz LXXJMZCPDFQMNN-AWEZNQCLSA-N -1 3 406.885 3.835 50 0 HHAAHM O=C([O-])[C@@H](c1c[nH]c2ccccc21)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000020676678 558400103 /nfs/dbraw/zinc/40/01/03/558400103.db2.gz YTTUZTLIKNKVES-GOSISDBHSA-N -1 3 404.392 3.530 50 0 HHAAHM O=c1nc(CSc2nnc(NC3CC3)s2)[n-]c2scc(-c3ccco3)c21 ZINC000012796040 558468928 /nfs/dbraw/zinc/46/89/28/558468928.db2.gz BNLQCLJRAMTWGP-UHFFFAOYSA-N -1 3 403.514 3.963 50 0 HHAAHM CCOC(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2nc(SC)[n-]c(=O)c21 ZINC000013125403 558518327 /nfs/dbraw/zinc/51/83/27/558518327.db2.gz WLNYRDGSDHRQDW-UHFFFAOYSA-N -1 3 409.389 3.903 50 0 HHAAHM CN(C)C(=O)[C@H](Sc1n[n-]c(COc2ccc(Cl)cc2)n1)c1ccccc1 ZINC000026474149 558661701 /nfs/dbraw/zinc/66/17/01/558661701.db2.gz AJQXNLPEZSGKCR-QGZVFWFLSA-N -1 3 402.907 3.959 50 0 HHAAHM Cc1cc2nc(N3CCC(C(=O)Nc4ccccc4[O-])CC3)c3ccccc3n2n1 ZINC000026697417 558664477 /nfs/dbraw/zinc/66/44/77/558664477.db2.gz LVTRCMXSIDBCKB-UHFFFAOYSA-N -1 3 401.470 3.752 50 0 HHAAHM C[C@H]1CCc2noc([N-]C(=O)c3cc(=O)c4cc(Br)ccc4o3)c2C1 ZINC000027748274 558681597 /nfs/dbraw/zinc/68/15/97/558681597.db2.gz KBSJPUJSBXREFY-VIFPVBQESA-N -1 3 403.232 3.921 50 0 HHAAHM CS(=O)(=O)c1ccc2nc([N-]C(=O)c3cc(-c4cccs4)on3)sc2c1 ZINC000027995357 558689138 /nfs/dbraw/zinc/68/91/38/558689138.db2.gz OEZQZNOAZVIOBO-UHFFFAOYSA-N -1 3 405.482 3.669 50 0 HHAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)N[C@H](C)CC)CC3)cc2)cc1 ZINC000033274556 558764085 /nfs/dbraw/zinc/76/40/85/558764085.db2.gz UPLLSIMRNQMOLH-MRXNPFEDSA-N -1 3 416.543 3.832 50 0 HHAAHM Cc1nc(N2CCCC2)ncc1-c1cc(=O)[n-]c(Nc2cccc(C(F)(F)F)c2)n1 ZINC000036235581 558798446 /nfs/dbraw/zinc/79/84/46/558798446.db2.gz SLONYCYWSMKUJE-UHFFFAOYSA-N -1 3 416.407 3.898 50 0 HHAAHM COc1ccccc1/C=C1/SC(=S)N([N-]C(=O)c2ccccc2Cl)C1=O ZINC000001214271 558847406 /nfs/dbraw/zinc/84/74/06/558847406.db2.gz MOWZGRUMZNEARW-XNTDXEJSSA-N -1 3 404.900 3.895 50 0 HHAAHM Cc1nc(N2CCN(Cc3ccccc3)CC2)[n-]c(=O)c1Cc1ccc(Cl)cc1 ZINC000054253553 558866924 /nfs/dbraw/zinc/86/69/24/558866924.db2.gz VFWRDNOOWNVOTJ-UHFFFAOYSA-N -1 3 408.933 3.645 50 0 HHAAHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC[C@H]2c2cccs2)cc1OC ZINC000060108173 558941053 /nfs/dbraw/zinc/94/10/53/558941053.db2.gz FNHMZUMAADCMQF-HNNXBMFYSA-N -1 3 409.533 3.887 50 0 HHAAHM COCCCN1CCc2nc(SCc3cccc(Br)c3)[n-]c(=O)c2C1 ZINC000033287227 559043849 /nfs/dbraw/zinc/04/38/49/559043849.db2.gz YDKKPRUOFQFTPJ-UHFFFAOYSA-N -1 3 424.364 3.632 50 0 HHAAHM CSc1ccc(N2C[C@H](c3nnc([N-]C(=O)c4cccs4)o3)CC2=O)cc1 ZINC000033291224 559045657 /nfs/dbraw/zinc/04/56/57/559045657.db2.gz FWRIKVGROCPVQK-LLVKDONJSA-N -1 3 400.485 3.626 50 0 HHAAHM CCOc1ccc(-n2c(O)c3n(-c4ccccc4)[n-]c(-c4ccccc4)c-3c2=O)cc1 ZINC000100563581 559136540 /nfs/dbraw/zinc/13/65/40/559136540.db2.gz WCMHVJXKHSMQGI-JTHBVZDNSA-N -1 3 411.461 3.868 50 0 HHAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2)cc1 ZINC000100722301 559138485 /nfs/dbraw/zinc/13/84/85/559138485.db2.gz JYJQMKATQMDTHU-BHIFYINESA-N -1 3 400.434 3.746 50 0 HHAAHM Cc1ccccc1N1OC2=C([O-])N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]1c1ccncc1 ZINC000100723574 559138508 /nfs/dbraw/zinc/13/85/08/559138508.db2.gz XJZAFMJCRHXMSW-ACRUOGEOSA-N -1 3 403.413 3.580 50 0 HHAAHM Cc1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000004874201 559195013 /nfs/dbraw/zinc/19/50/13/559195013.db2.gz UTWZPJKAPXEZIM-SFHVURJKSA-N -1 3 400.525 3.585 50 0 HHAAHM COc1ccc([C@@H]2Nc3ccccc3C(=O)N2CC(=O)Nc2ccccc2[O-])cc1 ZINC000061718249 559293025 /nfs/dbraw/zinc/29/30/25/559293025.db2.gz ZSBQOHYUXLSIFV-JOCHJYFZSA-N -1 3 403.438 3.606 50 0 HHAAHM [O-]C(c1ccccc1)=C1[C@H](c2ccc(Cl)cc2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000169680865 560765444 /nfs/dbraw/zinc/76/54/44/560765444.db2.gz KVPDPAYJXWEZAU-ZQIUZPCESA-N -1 3 414.836 3.609 50 0 HHAAHM COc1cccc(NCc2cc(=O)n3nc(NCc4ccc(C(C)C)cc4)[n-]c3n2)c1 ZINC000101796905 560801715 /nfs/dbraw/zinc/80/17/15/560801715.db2.gz JWIVTXMNIKMDCA-UHFFFAOYSA-N -1 3 418.501 3.774 50 0 HHAAHM COc1ccccc1NCc1cc(=O)n2nc(NCc3ccc(C(C)C)cc3)[n-]c2n1 ZINC000101796870 560801775 /nfs/dbraw/zinc/80/17/75/560801775.db2.gz LRRRHTLVEJRGIN-UHFFFAOYSA-N -1 3 418.501 3.774 50 0 HHAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cccnc1 ZINC000102005382 560807258 /nfs/dbraw/zinc/80/72/58/560807258.db2.gz TVDUNKYDUZOHKX-SLFFLAALSA-N -1 3 405.841 3.786 50 0 HHAAHM COc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000102699131 560820215 /nfs/dbraw/zinc/82/02/15/560820215.db2.gz ABBALDGNDSAVGV-BHIFYINESA-N -1 3 400.434 3.746 50 0 HHAAHM COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C([O-])=C2ON1c1ccccc1 ZINC000102727819 560821964 /nfs/dbraw/zinc/82/19/64/560821964.db2.gz DVRPZJPCGJGFTH-YPAWHYETSA-N -1 3 418.424 3.885 50 0 HHAAHM CC(=O)N(C[C@H]1CCCO1)c1nc(C)c(C(=O)Nc2cc(Cl)ccc2[O-])s1 ZINC000049546799 568451482 /nfs/dbraw/zinc/45/14/82/568451482.db2.gz ADIMYEAFJPDRBO-CYBMUJFWSA-N -1 3 409.895 3.595 50 0 HHAAHM COc1cc(Br)cc2c1Oc1nc(-c3ccc(O)cc3)[n-]c(=O)c1C2 ZINC000006748505 568458285 /nfs/dbraw/zinc/45/82/85/568458285.db2.gz ZROFREZQQSZACV-UHFFFAOYSA-N -1 3 401.216 3.610 50 0 HHAAHM O=S(=O)([N-]CCCc1ccco1)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000020978171 568654058 /nfs/dbraw/zinc/65/40/58/568654058.db2.gz PBDVOMFRSPGNGL-UHFFFAOYSA-N -1 3 406.407 3.926 50 0 HHAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000021051968 568660908 /nfs/dbraw/zinc/66/09/08/568660908.db2.gz FFFUOBROOFKSMZ-HXUWFJFHSA-N -1 3 420.600 3.532 50 0 HHAAHM Cc1ccc(C)c(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)c1 ZINC000021651479 568729311 /nfs/dbraw/zinc/72/93/11/568729311.db2.gz OVQGKQBPGAVBFG-IBGZPJMESA-N -1 3 414.552 3.893 50 0 HHAAHM CS(=O)(=O)[N-]c1ccc2nc(SCC(=O)Nc3cccc(F)c3)sc2c1 ZINC000096399485 568747902 /nfs/dbraw/zinc/74/79/02/568747902.db2.gz LUWSKRCWJWWCLO-UHFFFAOYSA-N -1 3 411.505 3.538 50 0 HHAAHM Cc1cc(C(=O)COC(=O)c2ccc([O-])cc2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000002635801 568792053 /nfs/dbraw/zinc/79/20/53/568792053.db2.gz KEQPHWAWQYSUGF-LJQANCHMSA-N -1 3 421.449 3.690 50 0 HHAAHM CC(C)n1nc(CN[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c(-c2ccccc2)n1 ZINC000261491755 568820083 /nfs/dbraw/zinc/82/00/83/568820083.db2.gz HJMJINDZQYAUJG-HXUWFJFHSA-N -1 3 403.486 3.793 50 0 HHAAHM C[C@H](NCCSc1nccn1C)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000012580319 568864045 /nfs/dbraw/zinc/86/40/45/568864045.db2.gz CDNNXNKCPHLNCK-NSHDSACASA-N -1 3 417.585 3.890 50 0 HHAAHM O=C(Nc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000003456454 568906428 /nfs/dbraw/zinc/90/64/28/568906428.db2.gz FWGYWEFWKQQWFZ-UHFFFAOYSA-N -1 3 414.414 3.608 50 0 HHAAHM CCOC(=O)[C@@]([O-])(c1ccc(N(C)C(=S)Nc2ccccc2)cc1)C(F)(F)F ZINC000004016951 568933693 /nfs/dbraw/zinc/93/36/93/568933693.db2.gz VVNHMLXIUMPBFT-SFHVURJKSA-N -1 3 412.433 3.833 50 0 HHAAHM CN(C)C(=O)C(Cc1ccccc1)=C([O-])c1cn(-c2cc(Cl)cc(Cl)c2)nn1 ZINC000004050593 568936335 /nfs/dbraw/zinc/93/63/35/568936335.db2.gz JEPIZSOUGHHICQ-QGZVFWFLSA-N -1 3 417.296 3.704 50 0 HHAAHM Cc1ccc(S(=O)(=O)N(C(=O)[C@H]2C[C@H]2c2ccco2)c2ccc([O-])cc2)s1 ZINC000084205584 568944717 /nfs/dbraw/zinc/94/47/17/568944717.db2.gz PVJGROMJWMUWDT-CVEARBPZSA-N -1 3 403.481 3.881 50 0 HHAAHM O=C1CCSc2ccc(S(=O)(=O)[N-]c3cccc(CN4CCCC4)c3)cc2N1 ZINC000015731073 568980957 /nfs/dbraw/zinc/98/09/57/568980957.db2.gz UCTLRBXUPUGMRP-UHFFFAOYSA-N -1 3 417.556 3.518 50 0 HHAAHM O=C(C=C1[N-]S(=O)(=O)c2ccccc2N1)Nc1ccc(Oc2ccccc2)cc1 ZINC000015826746 569011577 /nfs/dbraw/zinc/01/15/77/569011577.db2.gz AFVJALXTANHZLI-UHFFFAOYSA-N -1 3 407.451 3.830 50 0 HHAAHM Cc1[nH]c(=S)[n-]c(=O)c1CCC(=O)NCC(C)(c1ccccc1)c1ccccc1 ZINC000012928649 569024326 /nfs/dbraw/zinc/02/43/26/569024326.db2.gz OWALOJRWUZZVRC-UHFFFAOYSA-N -1 3 407.539 3.796 50 0 HHAAHM CCCN(CC(=O)Nc1cc(Cl)ccc1C)Cc1nc2ccsc2c(=O)[n-]1 ZINC000012930393 569024599 /nfs/dbraw/zinc/02/45/99/569024599.db2.gz PXMZDIOIHIEZFS-UHFFFAOYSA-N -1 3 404.923 3.797 50 0 HHAAHM CC1CCN([C@H](C[N-]S(=O)(=O)c2ccc(F)cc2F)c2cccs2)CC1 ZINC000012936958 569027332 /nfs/dbraw/zinc/02/73/32/569027332.db2.gz PTQHAJMOLGPCEP-MRXNPFEDSA-N -1 3 400.516 3.778 50 0 HHAAHM COc1cccc2c(=O)c(C(=O)NCCCCCc3nc4ccccc4n3C)c[n-]c12 ZINC000217939197 569039103 /nfs/dbraw/zinc/03/91/03/569039103.db2.gz OAFMJZKEBCTVQU-UHFFFAOYSA-N -1 3 418.497 3.979 50 0 biogenic HHAAHM CC(C)CNC(=O)N1CCC[C@@H]1c1nnc(C(=O)[N-]c2ccc(F)c(F)c2)s1 ZINC000064930888 569124520 /nfs/dbraw/zinc/12/45/20/569124520.db2.gz ZCSFWIBRYIANJJ-CQSZACIVSA-N -1 3 409.462 3.571 50 0 HHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc3c4c2CC(=O)N4C[C@@H](C)S3)c(Cl)c1 ZINC000006867771 569159161 /nfs/dbraw/zinc/15/91/61/569159161.db2.gz XMSABVJCWVLFPN-LLVKDONJSA-N -1 3 408.932 3.833 50 0 HHAAHM C[C@@H](Sc1nnc(C2CCCCC2)o1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000007026440 569201625 /nfs/dbraw/zinc/20/16/25/569201625.db2.gz ZKNAOMAJTHJGNG-GFCCVEGCSA-N -1 3 409.533 3.852 50 0 HHAAHM COc1ccc(C)cc1[N-]C(=O)c1nc(-c2cn(-c3ccc(Cl)cc3)nn2)no1 ZINC000065236752 569202461 /nfs/dbraw/zinc/20/24/61/569202461.db2.gz QYKQFYDUARSJNE-UHFFFAOYSA-N -1 3 410.821 3.540 50 0 HHAAHM COc1cc([C@H]2CC(=O)Nc3c2c(=O)[n-]n3C2CCCCC2)cc(OC)c1OC ZINC000071282951 569252607 /nfs/dbraw/zinc/25/26/07/569252607.db2.gz MZTAGOVEFGWYMI-CQSZACIVSA-N -1 3 401.463 3.831 50 0 HHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)c(C)c1C ZINC000170633449 569274275 /nfs/dbraw/zinc/27/42/75/569274275.db2.gz WTUNSWJQWHFQFH-AZUAARDMSA-N -1 3 405.516 3.795 50 0 HHAAHM O=C1[N-]C(=O)c2cc(N3C(=O)c4ccc(Oc5ccc(Cl)cc5)cc4C3=O)ccc21 ZINC000001122577 569277297 /nfs/dbraw/zinc/27/72/97/569277297.db2.gz JGFUNANTJPXGTL-UHFFFAOYSA-N -1 3 418.792 3.817 50 0 HHAAHM Cc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000002876117 569278296 /nfs/dbraw/zinc/27/82/96/569278296.db2.gz GOOOYKKZSKWMLA-UHFFFAOYSA-N -1 3 414.458 3.952 50 0 HHAAHM Cc1csc(C2([N-]S(=O)(=O)c3cccc(Br)c3)CCCC2)n1 ZINC000079035715 569424941 /nfs/dbraw/zinc/42/49/41/569424941.db2.gz KVQDYZBGKAIKQP-UHFFFAOYSA-N -1 3 401.351 3.962 50 0 HHAAHM O=C1C[C@@H](c2ccc(OC(F)(F)F)cc2)c2c(=O)[n-]c(N3CCCCC3)nc2N1 ZINC000585655779 569389892 /nfs/dbraw/zinc/38/98/92/569389892.db2.gz IZSIXIQJRYJPAA-ZDUSSCGKSA-N -1 3 408.380 3.545 50 0 HHAAHM Cc1cccc(S(=O)(=O)[N-]c2ccc(Nc3ccc(-n4cccn4)nn3)cc2)c1 ZINC000013009943 569407067 /nfs/dbraw/zinc/40/70/67/569407067.db2.gz UKGHIUNFROOMQM-UHFFFAOYSA-N -1 3 406.471 3.515 50 0 HHAAHM Cc1ccc(NC(=O)[C@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000008507055 571062902 /nfs/dbraw/zinc/06/29/02/571062902.db2.gz LZVWCKCEBMTGFO-AWEZNQCLSA-N -1 3 405.483 3.537 50 0 HHAAHM CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000040155772 571202867 /nfs/dbraw/zinc/20/28/67/571202867.db2.gz JXUHJUCUTYUTPN-KBPBESRZSA-N -1 3 422.469 3.820 50 0 HHAAHM CCOc1ccc([C@H]2CC(c3ccccc3[N-]S(C)(=O)=O)=NN2C(=O)CC)cc1 ZINC000009378560 571253388 /nfs/dbraw/zinc/25/33/88/571253388.db2.gz JDMJAIGDCQQDSO-HXUWFJFHSA-N -1 3 415.515 3.545 50 0 HHAAHM Cc1ccccc1[C@@H]1CC(c2ccccc2[N-]S(C)(=O)=O)=NN1C(=O)c1ccco1 ZINC000009418360 571256378 /nfs/dbraw/zinc/25/63/78/571256378.db2.gz SQGQGDTUDSJEJW-FQEVSTJZSA-N -1 3 423.494 3.951 50 0 HHAAHM Cc1cccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1C ZINC000009426966 571257862 /nfs/dbraw/zinc/25/78/62/571257862.db2.gz OCJSVJTXWCTELN-LBPRGKRZSA-N -1 3 401.315 3.916 50 0 HHAAHM COc1ccccc1OCCSc1nc(-c2ccccc2C)nc2cc(=O)[n-]n21 ZINC000009640606 571275642 /nfs/dbraw/zinc/27/56/42/571275642.db2.gz XQYSFNKBMDYZNA-UHFFFAOYSA-N -1 3 408.483 3.573 50 0 HHAAHM Cc1ccc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)n1C ZINC000009884601 571289478 /nfs/dbraw/zinc/28/94/78/571289478.db2.gz NSEZKEXICCYBKM-UHFFFAOYSA-N -1 3 415.490 3.512 50 0 HHAAHM COc1ccc([C@@H]2CC(=O)Nc3c2c(=O)[n-]n3C2CCCCC2)c(OC)c1OC ZINC000071282187 571290856 /nfs/dbraw/zinc/29/08/56/571290856.db2.gz INVFNAPBZHSHBS-AWEZNQCLSA-N -1 3 401.463 3.831 50 0 HHAAHM O=C1CC[C@@H](CC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCN1CC1CC1 ZINC000257177853 970617233 /nfs/dbraw/zinc/61/72/33/970617233.db2.gz YDIPEXBAYMVUKZ-ZDUSSCGKSA-N -1 3 419.374 3.701 50 0 HHAAHM CCc1ccccc1NC(=O)CSc1nc2c(nc[n-]c2=O)n1-c1ccc(C)cc1 ZINC000012413576 291250488 /nfs/dbraw/zinc/25/04/88/291250488.db2.gz JBMKWMCVEFIMKX-UHFFFAOYSA-N -1 3 419.510 3.710 50 0 biogenic,in-vitro HHAAHM COc1ccccc1N1CCN(c2nc(CSc3ccc(C)cc3)cc(=O)[n-]2)CC1 ZINC000009668443 132342394 /nfs/dbraw/zinc/34/23/94/132342394.db2.gz YUCPHRNPTSQIRZ-UHFFFAOYSA-N -1 3 422.554 3.706 50 0 HHAAHM Cn1c(Sc2c([O-])cc(N3CCOCC3)c3ccccc32)nnc1-c1cccnc1 ZINC000012427832 132359791 /nfs/dbraw/zinc/35/97/91/132359791.db2.gz OYYUPXGIJIEQPF-UHFFFAOYSA-N -1 3 419.510 3.724 50 0 HHAAHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC2(c3ccccc3)CCCCC2)s1 ZINC000032825881 519678393 /nfs/dbraw/zinc/67/83/93/519678393.db2.gz PEVOGPAVRCLIEW-UHFFFAOYSA-N -1 3 406.573 3.565 50 0 HHAAHM O=S(=O)([N-]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1cccs1 ZINC000032865317 527209759 /nfs/dbraw/zinc/20/97/59/527209759.db2.gz GKXOZOUDJACGCT-UHFFFAOYSA-N -1 3 404.479 3.710 50 0 HHAAHM O=S(=O)([N-]CCc1ccc2c(c1)OCO2)c1ccc(Cl)cc1C(F)(F)F ZINC000032740511 527218704 /nfs/dbraw/zinc/21/87/04/527218704.db2.gz IOUSRNKJMAAHNT-UHFFFAOYSA-N -1 3 407.797 3.609 50 0 HHAAHM Cc1ccccc1N1OC2=C([O-])N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]1c1ccncc1 ZINC000000635215 557029136 /nfs/dbraw/zinc/02/91/36/557029136.db2.gz XJZAFMJCRHXMSW-NJYVYQBISA-N -1 3 403.413 3.580 50 0 HHAAHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)OCc1ccc(Cl)cc1 ZINC000000993115 557135987 /nfs/dbraw/zinc/13/59/87/557135987.db2.gz TWVZPRUZDMKPCZ-UHFFFAOYSA-N -1 3 408.690 3.669 50 0 HHAAHM CCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(I)c1 ZINC000001051408 557160077 /nfs/dbraw/zinc/16/00/77/557160077.db2.gz LYLDNOBUNYKYTD-UHFFFAOYSA-N -1 3 417.268 3.663 50 0 HHAAHM Cc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(Cl)cc2)cc1 ZINC000001167260 557221903 /nfs/dbraw/zinc/22/19/03/557221903.db2.gz ZYSNZAHLHRYOLQ-VKJFTORMSA-N -1 3 412.795 3.752 50 0 HHAAHM COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000002735120 557373898 /nfs/dbraw/zinc/37/38/98/557373898.db2.gz CGLCSODPASXQPS-UHFFFAOYSA-N -1 3 410.495 3.986 50 0 HHAAHM CN1OC[C@H](S(=O)(=O)[N-]Cc2ccccc2F)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000034739084 557449907 /nfs/dbraw/zinc/44/99/07/557449907.db2.gz GGDAUIJKGVZYQB-VQTJNVASSA-N -1 3 406.523 3.530 50 0 HHAAHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1nc(SC)ncc1Cl ZINC000004821011 557602856 /nfs/dbraw/zinc/60/28/56/557602856.db2.gz NTRYCLZXJZHRCG-UHFFFAOYSA-N -1 3 413.908 3.853 50 0 HHAAHM Cc1ccccc1NC(=O)CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1 ZINC000006973908 557731744 /nfs/dbraw/zinc/73/17/44/557731744.db2.gz CIGBKVDXQQOCAG-UHFFFAOYSA-N -1 3 419.304 3.979 50 0 HHAAHM Cc1ccccc1NC(=O)CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1 ZINC000006973908 557731746 /nfs/dbraw/zinc/73/17/46/557731746.db2.gz CIGBKVDXQQOCAG-UHFFFAOYSA-N -1 3 419.304 3.979 50 0 HHAAHM Cc1ccn([C@H](C)c2n[n-]c(=S)n2-c2c(C)nn(Cc3ccc(C)cc3)c2C)n1 ZINC000002731216 557754329 /nfs/dbraw/zinc/75/43/29/557754329.db2.gz VZZLVEQAJAJGFQ-QGZVFWFLSA-N -1 3 407.547 3.840 50 0 HHAAHM O=C([O-])[C@@H](c1c[nH]c2cc(F)ccc21)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000020733988 558407210 /nfs/dbraw/zinc/40/72/10/558407210.db2.gz ZBBSUCMSJRIYRH-HXUWFJFHSA-N -1 3 401.869 3.904 50 0 HHAAHM O=C(NCc1ccc(F)cc1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000012976620 558491831 /nfs/dbraw/zinc/49/18/31/558491831.db2.gz HQFKRTLEUXHYHL-UHFFFAOYSA-N -1 3 417.289 3.503 50 0 HHAAHM CCc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(C)cc2)cc1 ZINC000013037740 558505512 /nfs/dbraw/zinc/50/55/12/558505512.db2.gz CMQKVNGXBJDBNQ-ABSDTBQOSA-N -1 3 406.404 3.661 50 0 HHAAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CSC(C)C)ccc2C)cc1 ZINC000024538380 558600633 /nfs/dbraw/zinc/60/06/33/558600633.db2.gz UERRWXFDABJVSG-UHFFFAOYSA-N -1 3 408.545 3.885 50 0 HHAAHM CCc1noc(C)c1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000014250131 558649550 /nfs/dbraw/zinc/64/95/50/558649550.db2.gz DMDNAZGJZVUNNP-UHFFFAOYSA-N -1 3 403.435 3.738 50 0 HHAAHM Cc1ccc(-c2cnc(CCC(=O)N(C)Cc3nc4ccsc4c(=O)[n-]3)o2)cc1 ZINC000014372450 558653594 /nfs/dbraw/zinc/65/35/94/558653594.db2.gz JKVHPPDPCPYWKV-UHFFFAOYSA-N -1 3 408.483 3.539 50 0 HHAAHM Cc1ccc(-c2cc(C(=O)[N-]c3nc4ccc(S(C)(=O)=O)cc4s3)no2)cc1 ZINC000027664271 558679461 /nfs/dbraw/zinc/67/94/61/558679461.db2.gz LVKZZSRAEYLONL-UHFFFAOYSA-N -1 3 413.480 3.916 50 0 HHAAHM COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)c4cc(C)ccc4[O-])C3)C2)c1 ZINC000015063597 558706125 /nfs/dbraw/zinc/70/61/25/558706125.db2.gz MLRWHIWOXVKHMI-XMMPIXPASA-N -1 3 412.505 3.977 50 0 HHAAHM CCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(CC)cc3)cc2)CC1 ZINC000033274834 558764652 /nfs/dbraw/zinc/76/46/52/558764652.db2.gz ROSYWQALPVDZHD-UHFFFAOYSA-N -1 3 400.544 3.998 50 0 HHAAHM [O-]C(c1ccccc1)=C1[C@@H](c2ccc(Cl)cc2)NC(=S)N[C@]1(O)C(F)(F)F ZINC000036056509 558797169 /nfs/dbraw/zinc/79/71/69/558797169.db2.gz KVPDPAYJXWEZAU-JJRVBVJISA-N -1 3 414.836 3.609 50 0 HHAAHM COc1ccc(OC)c([C@@H]2C(C(C)=O)=C([O-])C(=O)N2c2nc3ccccc3s2)c1 ZINC000000849078 558835648 /nfs/dbraw/zinc/83/56/48/558835648.db2.gz UTFOQTLOJQRYNF-GOSISDBHSA-N -1 3 410.451 3.803 50 0 HHAAHM COc1ccc(OC)c([C@@H]2C(=C(C)[O-])C(=O)C(=O)N2c2nc3ccccc3s2)c1 ZINC000000849078 558835651 /nfs/dbraw/zinc/83/56/51/558835651.db2.gz UTFOQTLOJQRYNF-GOSISDBHSA-N -1 3 410.451 3.803 50 0 HHAAHM COc1ccc(OC)c([C@H]2C(C(C)=O)=C([O-])C(=O)N2c2nc3ccccc3s2)c1 ZINC000000849077 558835675 /nfs/dbraw/zinc/83/56/75/558835675.db2.gz UTFOQTLOJQRYNF-SFHVURJKSA-N -1 3 410.451 3.803 50 0 HHAAHM COc1ccc(OC)c([C@H]2C(=C(C)[O-])C(=O)C(=O)N2c2nc3ccccc3s2)c1 ZINC000000849077 558835676 /nfs/dbraw/zinc/83/56/76/558835676.db2.gz UTFOQTLOJQRYNF-SFHVURJKSA-N -1 3 410.451 3.803 50 0 HHAAHM CCOc1ccccc1NC(=O)N1CCc2nc(Cc3ccccc3C)[n-]c(=O)c2C1 ZINC000004607812 558847863 /nfs/dbraw/zinc/84/78/63/558847863.db2.gz JIULCDIWYDEBSU-UHFFFAOYSA-N -1 3 418.497 3.658 50 0 HHAAHM CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]Cc2ccc(C)o2)s1 ZINC000033306463 559051712 /nfs/dbraw/zinc/05/17/12/559051712.db2.gz SNWYAZFLVGXCPH-SOFGYWHQSA-N -1 3 421.500 3.553 50 0 HHAAHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1N1CCCCC1=O ZINC000005330206 560565727 /nfs/dbraw/zinc/56/57/27/560565727.db2.gz UTYHHIYBBKHCPO-UHFFFAOYSA-N -1 3 414.527 3.892 50 0 HHAAHM CCOC(=O)[C@]([O-])(c1ccc(N(CC)C(=O)c2ccc(F)cc2)cc1)C(F)(F)F ZINC000003150586 560746705 /nfs/dbraw/zinc/74/67/05/560746705.db2.gz AFEBBJHRJWBRGJ-LJQANCHMSA-N -1 3 413.367 3.805 50 0 HHAAHM COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NOC2=C1[O-] ZINC000101291891 560790755 /nfs/dbraw/zinc/79/07/55/560790755.db2.gz VVIUAAGTRIKSQP-WBVHZDCISA-N -1 3 405.237 3.603 50 0 HHAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccncc1 ZINC000102734907 560822722 /nfs/dbraw/zinc/82/27/22/560822722.db2.gz LRKJNSYVFCUHII-SLFFLAALSA-N -1 3 405.841 3.786 50 0 HHAAHM CCS(=O)(=O)[N-]c1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1 ZINC000033276375 568512499 /nfs/dbraw/zinc/51/24/99/568512499.db2.gz CBKQLTSHRGBVAJ-UHFFFAOYSA-N -1 3 408.277 3.928 50 0 HHAAHM CCOC(=O)c1ccc(NC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)c([O-])c1 ZINC000095398743 568604547 /nfs/dbraw/zinc/60/45/47/568604547.db2.gz NPEQTDSTYABZPA-MRXNPFEDSA-N -1 3 420.874 3.664 50 0 HHAAHM CC(C)(C)C(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@@H]1c1ccc(F)cc1 ZINC000225514368 568645558 /nfs/dbraw/zinc/64/55/58/568645558.db2.gz CBQDWGINBFJVHF-LJQANCHMSA-N -1 3 417.506 3.921 50 0 HHAAHM COC(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc(OCC(C)C)cc3)cc2C1 ZINC000096096315 568688904 /nfs/dbraw/zinc/68/89/04/568688904.db2.gz RPEMPEYMUCRKJI-UHFFFAOYSA-N -1 3 418.515 3.647 50 0 HHAAHM O=c1[nH]n(C2CCSCC2)c2c1[C@H](c1ccc([O-])c(Cl)c1)SCC(=O)N2 ZINC000096118342 568697937 /nfs/dbraw/zinc/69/79/37/568697937.db2.gz SACFVTGXPXXZPD-HNNXBMFYSA-N -1 3 411.936 3.791 50 0 HHAAHM Cc1ccccc1N1OC2=C([O-])N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]1c1ccncc1 ZINC000238950269 568727294 /nfs/dbraw/zinc/72/72/94/568727294.db2.gz XJZAFMJCRHXMSW-HBMCJLEFSA-N -1 3 403.413 3.580 50 0 HHAAHM Cc1cc(C)cc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)c1 ZINC000021651509 568729371 /nfs/dbraw/zinc/72/93/71/568729371.db2.gz XPXSHADPBITRLX-IBGZPJMESA-N -1 3 414.552 3.893 50 0 HHAAHM CCc1ccccc1NC(=O)CSc1nc2ccc([N-]S(C)(=O)=O)cc2s1 ZINC000096399499 568747869 /nfs/dbraw/zinc/74/78/69/568747869.db2.gz YLGREOIIQBWKJJ-UHFFFAOYSA-N -1 3 421.569 3.961 50 0 HHAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccnc2)cc1 ZINC000230047159 568804366 /nfs/dbraw/zinc/80/43/66/568804366.db2.gz PQIFHYRZSUYMNW-BHDDXSALSA-N -1 3 415.449 3.531 50 0 HHAAHM O=C(CSc1nnc([N-]c2ccccc2F)s1)c1ccc2c(c1)NC(=O)CO2 ZINC000003468350 568907501 /nfs/dbraw/zinc/90/75/01/568907501.db2.gz WQTDRMMWUCGEPD-UHFFFAOYSA-N -1 3 416.459 3.727 50 0 HHAAHM C[C@@H](Sc1ccc(C(F)(F)F)cn1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000031743313 568929973 /nfs/dbraw/zinc/92/99/73/568929973.db2.gz VKFISEXBDMKFJG-SNVBAGLBSA-N -1 3 404.435 3.835 50 0 HHAAHM O=C([N-]c1nnc(-c2ccc3c(c2)OCCO3)o1)c1ccc(Br)s1 ZINC000004264342 568956008 /nfs/dbraw/zinc/95/60/08/568956008.db2.gz AOFRPXGEFLNENX-UHFFFAOYSA-N -1 3 408.233 3.584 50 0 HHAAHM CCc1ccccc1Nc1nc(N)nc(CSc2n[n-]c(-c3cccs3)n2)n1 ZINC000008089567 568973487 /nfs/dbraw/zinc/97/34/87/568973487.db2.gz IIIACTBXCPUYLX-UHFFFAOYSA-N -1 3 410.532 3.899 50 0 HHAAHM O=C(CN1CCC(C(=O)Nc2ccccc2[O-])CC1)Nc1cccc(Cl)c1Cl ZINC000012887208 569019579 /nfs/dbraw/zinc/01/95/79/569019579.db2.gz BNIYEGNPQGHFNC-UHFFFAOYSA-N -1 3 422.312 3.988 50 0 HHAAHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000012914974 569022232 /nfs/dbraw/zinc/02/22/32/569022232.db2.gz RMCITOYTRJASSN-LLVKDONJSA-N -1 3 413.326 3.788 50 0 HHAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(CCOC)CCC3)cc1C ZINC000035588256 569046174 /nfs/dbraw/zinc/04/61/74/569046174.db2.gz HOLQXUSTWZGJEB-UHFFFAOYSA-N -1 3 404.532 3.594 50 0 HHAAHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCCCC4)c2)cc1 ZINC000006610904 569074245 /nfs/dbraw/zinc/07/42/45/569074245.db2.gz AMZCOVCTBCELIE-UHFFFAOYSA-N -1 3 412.515 3.871 50 0 HHAAHM COc1cccc(-c2cc(C(F)(F)F)nc(N3NC=C[C@@]3([O-])C(F)(F)F)n2)c1 ZINC000006848377 569153665 /nfs/dbraw/zinc/15/36/65/569153665.db2.gz TWANOIZBXKFABS-CQSZACIVSA-N -1 3 406.286 3.618 50 0 HHAAHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CCC2)cc1 ZINC000006934635 569184681 /nfs/dbraw/zinc/18/46/81/569184681.db2.gz XGWDXMFEQSRXPC-CQSZACIVSA-N -1 3 400.500 3.574 50 0 HHAAHM COc1ccc(Cl)cc1[N-]C(=O)c1nc(-c2cn(-c3ccc(C)cc3)nn2)no1 ZINC000065236687 569202508 /nfs/dbraw/zinc/20/25/08/569202508.db2.gz OAOJDLNMSMJQPT-UHFFFAOYSA-N -1 3 410.821 3.540 50 0 HHAAHM COc1ccc(-c2nc3c(c(=O)[n-]2)CCN(C(=O)c2cc4c(s2)CCCC4)C3)cc1 ZINC000065260307 569209630 /nfs/dbraw/zinc/20/96/30/569209630.db2.gz XSKKFEGVTYPKCR-UHFFFAOYSA-N -1 3 421.522 3.584 50 0 HHAAHM Cc1[nH]c2ccccc2c1C(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000007137778 569225632 /nfs/dbraw/zinc/22/56/32/569225632.db2.gz UZCZUNBUOCDQFV-UHFFFAOYSA-N -1 3 415.478 3.874 50 0 HHAAHM CC(=O)c1cccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000002869501 569278134 /nfs/dbraw/zinc/27/81/34/569278134.db2.gz NZXPLOUEAGFVFB-JTQLQIEISA-N -1 3 415.298 3.502 50 0 HHAAHM CN(Cc1nc2ccccc2s1)C(=O)CSc1n[n-]c(-c2cccs2)n1 ZINC000008528123 571074315 /nfs/dbraw/zinc/07/43/15/571074315.db2.gz JGPKTYLCIIHDEO-UHFFFAOYSA-N -1 3 401.542 3.894 50 0 HHAAHM CCOC(=O)c1csc(N2N=C(c3ccc(Cl)cc3)C[C@]2([O-])C(F)(F)F)n1 ZINC000008711448 571105577 /nfs/dbraw/zinc/10/55/77/571105577.db2.gz DGOUKMNYXLWYAW-HNNXBMFYSA-N -1 3 419.812 3.839 50 0 HHAAHM [O-][C@]1(C(F)(F)F)C2=C(NN1c1nc(-c3ccncc3)cs1)c1ccccc1OC2 ZINC000008777810 571118467 /nfs/dbraw/zinc/11/84/67/571118467.db2.gz ZKMAAHHVFDJQII-UGSOOPFHSA-N -1 3 418.400 3.689 50 0 HHAAHM O=c1[n-]nc(SC(c2ccc(F)cc2)c2ccc(F)cc2)n1C[C@H]1CCCO1 ZINC000068903132 571137954 /nfs/dbraw/zinc/13/79/54/571137954.db2.gz IPTYILZZUIIPSF-QGZVFWFLSA-N -1 3 403.454 3.910 50 0 HHAAHM C[C@H](Sc1n[n-]c(COc2ccc(Cl)cc2)n1)c1nnnn1-c1ccccc1 ZINC000040127394 571179311 /nfs/dbraw/zinc/17/93/11/571179311.db2.gz LXGTYZJCKNMVCW-LBPRGKRZSA-N -1 3 413.894 3.866 50 0 HHAAHM CCN1c2cc([N-]S(=O)(=O)c3ccc(C)cc3C)ccc2OCC(C)(C)C1=O ZINC000009170592 571233694 /nfs/dbraw/zinc/23/36/94/571233694.db2.gz WNVAJMHFKZCKCQ-UHFFFAOYSA-N -1 3 402.516 3.876 50 0 HHAAHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)N(C)Cc1ccccc1 ZINC000009356494 571251271 /nfs/dbraw/zinc/25/12/71/571251271.db2.gz AXRJAGZXWPJVNK-UHFFFAOYSA-N -1 3 424.522 3.833 50 0 HHAAHM CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1csc2[N-]C(=O)c1ccco1 ZINC000009381455 571253852 /nfs/dbraw/zinc/25/38/52/571253852.db2.gz TYPQOBIAXLQETG-UHFFFAOYSA-N -1 3 423.450 3.778 50 0 HHAAHM [O-]c1cccc(C2=Nc3nc(C(F)(F)F)nn3[C@@H](c3ccc4c(c3)OCCO4)C2)c1 ZINC000009463914 571260865 /nfs/dbraw/zinc/26/08/65/571260865.db2.gz CSEAYKHGLRTRHY-OAHLLOKOSA-N -1 3 416.359 3.830 50 0 HHAAHM Cc1cc(C)cc(NC(=O)CSc2nc(-c3ccccc3C)nc3cc(=O)[n-]n32)c1 ZINC000009640584 571275659 /nfs/dbraw/zinc/27/56/59/571275659.db2.gz RWULWELQNIFUHP-UHFFFAOYSA-N -1 3 419.510 3.741 50 0 HHAAHM C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000010293642 571299492 /nfs/dbraw/zinc/29/94/92/571299492.db2.gz WWMHASKTIRWSMO-CQSZACIVSA-N -1 3 402.878 3.690 50 0 HHAAHM COc1ccc(C[C@@](C)(O)C[N-]S(=O)(=O)c2cc(C)c(Cl)cc2Cl)cc1 ZINC000077184850 571312103 /nfs/dbraw/zinc/31/21/03/571312103.db2.gz IJGAZMACBSYMRI-GOSISDBHSA-N -1 3 418.342 3.582 50 0 HHAAHM CC(C)(C)c1nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)cc2[nH]1 ZINC000078477902 571313486 /nfs/dbraw/zinc/31/34/86/571313486.db2.gz SKDHXMULSYFBCZ-UHFFFAOYSA-N -1 3 401.488 3.823 50 0 HHAAHM COCCOc1cccc(C=Cc2nc3c(c(=O)[n-]2)CCN(Cc2ccccc2)C3)c1 ZINC000098055775 969187215 /nfs/dbraw/zinc/18/72/15/969187215.db2.gz DWBAPQJQLOVWCE-KHPPLWFESA-N -1 3 417.509 3.936 50 0 HHAAHM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000000627134 132229149 /nfs/dbraw/zinc/22/91/49/132229149.db2.gz YZBKDVLJTLRZKR-PKTZIBPZSA-N -1 3 419.525 3.614 50 0 HHAAHM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000000627194 132229394 /nfs/dbraw/zinc/22/93/94/132229394.db2.gz NYOSTWIJPHIUIY-PKTZIBPZSA-N -1 3 421.541 3.838 50 0 HHAAHM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c(C)c1 ZINC000008600742 132331342 /nfs/dbraw/zinc/33/13/42/132331342.db2.gz JIFUXJBUQWDWLL-UHFFFAOYSA-N -1 3 415.559 3.941 50 0 HHAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000012634259 132365519 /nfs/dbraw/zinc/36/55/19/132365519.db2.gz DXFITRHNBZTTAX-IBGZPJMESA-N -1 3 421.588 3.680 50 0 HHAAHM COC(=O)c1sccc1S(=O)(=O)[N-][C@H](Cc1ccccc1)c1ccccc1 ZINC000032876601 522453422 /nfs/dbraw/zinc/45/34/22/522453422.db2.gz NUDYBNDUUNMSOY-QGZVFWFLSA-N -1 3 401.509 3.797 50 0 HHAAHM CS(=O)(=O)[N-]c1cc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)ccc1F ZINC000032830367 525214406 /nfs/dbraw/zinc/21/44/06/525214406.db2.gz GDUSWTDZQWFKDR-UHFFFAOYSA-N -1 3 409.826 3.758 50 0 HHAAHM C[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccc(Br)cc1)N2 ZINC000020034152 526238288 /nfs/dbraw/zinc/23/82/88/526238288.db2.gz HXBUOUMGFKNLJN-BCQZVRRWSA-N -1 3 405.214 3.948 50 0 HHAAHM Cc1nc(Nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc(-n2cccn2)n1 ZINC000036705518 527005276 /nfs/dbraw/zinc/00/52/76/527005276.db2.gz YVKUCXUQIRXECQ-UHFFFAOYSA-N -1 3 424.461 3.654 50 0 HHAAHM O=C([N-]C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(=O)NC1CCCCC1 ZINC000002565274 557356903 /nfs/dbraw/zinc/35/69/03/557356903.db2.gz MNWUMYCIHLUENF-UHFFFAOYSA-N -1 3 402.379 3.790 50 0 HHAAHM CN1OC[C@@H](S(=O)(=O)[N-]Cc2cccc(F)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000034739077 557449913 /nfs/dbraw/zinc/44/99/13/557449913.db2.gz AXXQEQGSTSFGKM-UXHICEINSA-N -1 3 406.523 3.530 50 0 HHAAHM CCSc1nnc2c(n1)O[C@]1([N-]c3ccccc3-2)C(=O)Nc2ccc(Cl)cc21 ZINC000005102404 557636203 /nfs/dbraw/zinc/63/62/03/557636203.db2.gz HFCJHVREZARONC-IBGZPJMESA-N -1 3 411.874 3.913 50 0 biogenic HHAAHM CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(C3CC3)o2)cc1 ZINC000002720181 557746768 /nfs/dbraw/zinc/74/67/68/557746768.db2.gz JMQRVGMTYXDYRI-UHFFFAOYSA-N -1 3 420.535 3.790 50 0 HHAAHM COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1[O-] ZINC000009323343 557837025 /nfs/dbraw/zinc/83/70/25/557837025.db2.gz LJCFTQSHPSHJGY-NTUHNPAUSA-N -1 3 423.650 3.914 50 0 HHAAHM COc1ccc(-c2csc3[n-]c(CS(=O)(=O)c4ccccc4)nc(=O)c23)cc1 ZINC000019926580 558307962 /nfs/dbraw/zinc/30/79/62/558307962.db2.gz ACWHVUFPSSCQJV-UHFFFAOYSA-N -1 3 412.492 3.634 50 0 HHAAHM Cn1c(SCC(=O)Nc2cccc(O)c2)nnc1-c1cc2ccccc2cc1[O-] ZINC000020427693 558362494 /nfs/dbraw/zinc/36/24/94/558362494.db2.gz LRRZVTTZDMKOCC-UHFFFAOYSA-N -1 3 406.467 3.777 50 0 HHAAHM COc1cccc(C[C@]2(CO)CCCN(Cc3cc(Cl)c([O-])c(OC)c3)C2)c1 ZINC000012438830 558410369 /nfs/dbraw/zinc/41/03/69/558410369.db2.gz SYOTVEJLSOREMZ-JOCHJYFZSA-N -1 3 405.922 3.880 50 0 HHAAHM COc1cc(Br)c(OC)c(C(=O)[N-]c2nnc(-c3ccco3)s2)c1 ZINC000024987556 558625245 /nfs/dbraw/zinc/62/52/45/558625245.db2.gz NIEYLVHUPWNSPB-UHFFFAOYSA-N -1 3 410.249 3.830 50 0 HHAAHM CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1nc(O)c(-c2ccccc2)c(=O)[n-]1 ZINC000004524015 558652540 /nfs/dbraw/zinc/65/25/40/558652540.db2.gz YTGBKFXXDWLPFE-DJIMGWMZSA-N -1 3 416.543 3.520 50 0 biogenic HHAAHM COc1ccc(-c2csc(C[N-]S(=O)(=O)c3cccc4cccnc43)n2)cc1 ZINC000072264921 558663999 /nfs/dbraw/zinc/66/39/99/558663999.db2.gz DXBJGLHYNZTSJF-UHFFFAOYSA-N -1 3 411.508 3.845 50 0 HHAAHM Cc1cc(N2CCN(Cc3nc4c5ccccc5oc4c(=O)[n-]3)CC2)nc(C(C)C)n1 ZINC000027545951 558674784 /nfs/dbraw/zinc/67/47/84/558674784.db2.gz RNXZVAPQXWGYFZ-UHFFFAOYSA-N -1 3 418.501 3.626 50 0 HHAAHM O=S(=O)([N-]CCN1CCc2ccccc2C1)c1ccc(Cl)cc1C(F)(F)F ZINC000028043110 558690102 /nfs/dbraw/zinc/69/01/02/558690102.db2.gz HKKXPUGTLXDGOU-UHFFFAOYSA-N -1 3 418.868 3.695 50 0 HHAAHM CC(C)[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C)c2ccccn2)c1Cl ZINC000072275366 558701849 /nfs/dbraw/zinc/70/18/49/558701849.db2.gz UPSWSOVBDGBARY-LLVKDONJSA-N -1 3 416.330 3.566 50 0 HHAAHM Cc1ccc(-c2nc([N-]C(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)n[nH]2)cc1 ZINC000028789285 558704402 /nfs/dbraw/zinc/70/44/02/558704402.db2.gz MQWGBZPWHGKSPD-UHFFFAOYSA-N -1 3 422.466 3.599 50 0 HHAAHM COc1ccc([C@H](CC(=O)OC(C)C)[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000015361725 558735841 /nfs/dbraw/zinc/73/58/41/558735841.db2.gz UOKSTEOEDIXQMY-AWEZNQCLSA-N -1 3 417.936 3.771 50 0 HHAAHM CCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2)CC1 ZINC000033274873 558764858 /nfs/dbraw/zinc/76/48/58/558764858.db2.gz MWLWKCKNRMXWSN-UHFFFAOYSA-N -1 3 412.555 3.924 50 0 HHAAHM Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000016292396 558784146 /nfs/dbraw/zinc/78/41/46/558784146.db2.gz RHFLVFHYTDWJLK-UHFFFAOYSA-N -1 3 424.522 3.799 50 0 HHAAHM Cc1nc(N2CCN(c3ccc(F)cc3)CC2)[n-]c(=O)c1Cc1ccc(Cl)cc1 ZINC000018227903 558834314 /nfs/dbraw/zinc/83/43/14/558834314.db2.gz SUSXODNKBWXBGV-UHFFFAOYSA-N -1 3 412.896 3.788 50 0 HHAAHM Cc1nc(-c2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3F)c2)no1 ZINC000033077018 558868424 /nfs/dbraw/zinc/86/84/24/558868424.db2.gz BBDKOZQRMIJJNE-UHFFFAOYSA-N -1 3 412.240 3.747 50 0 HHAAHM Cc1ccc(NC(=O)CCc2nc(CSc3nnc(-c4ccco4)[n-]3)no2)c(C)c1 ZINC000033087452 558871325 /nfs/dbraw/zinc/87/13/25/558871325.db2.gz DBSSETPNFGYNDF-UHFFFAOYSA-N -1 3 424.486 3.928 50 0 HHAAHM Cc1ccc(NC(=O)CCc2nc(CSc3nc(-c4ccco4)n[n-]3)no2)c(C)c1 ZINC000033087452 558871327 /nfs/dbraw/zinc/87/13/27/558871327.db2.gz DBSSETPNFGYNDF-UHFFFAOYSA-N -1 3 424.486 3.928 50 0 HHAAHM Cc1ccc(NC(=O)CCc2nc(CSc3n[n-]c(-c4ccco4)n3)no2)c(C)c1 ZINC000033087452 558871329 /nfs/dbraw/zinc/87/13/29/558871329.db2.gz DBSSETPNFGYNDF-UHFFFAOYSA-N -1 3 424.486 3.928 50 0 HHAAHM O=C([O-])[C@H]1CCCN([C@H]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)C1 ZINC000072194177 558931048 /nfs/dbraw/zinc/93/10/48/558931048.db2.gz VWTJKXUNEWVTKH-ROUUACIJSA-N -1 3 420.509 3.806 50 0 HHAAHM O=C([N-]c1ccccc1F)c1nnc(C2CCN(C(=O)C3CCCC3)CC2)s1 ZINC000033272965 559034460 /nfs/dbraw/zinc/03/44/60/559034460.db2.gz XDVLGLXCFHQJFD-UHFFFAOYSA-N -1 3 402.495 3.826 50 0 HHAAHM Cc1nc(C)c(CC(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)c(=O)[n-]1 ZINC000095512951 559084480 /nfs/dbraw/zinc/08/44/80/559084480.db2.gz JVQKKZNLXDTWKC-UHFFFAOYSA-N -1 3 401.510 3.538 50 0 HHAAHM CCCOc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1OCCC ZINC000011652422 559120229 /nfs/dbraw/zinc/12/02/29/559120229.db2.gz YYXMDBZKUOGXPT-UHFFFAOYSA-N -1 3 406.504 3.888 50 0 HHAAHM O=C([O-])[C@@H]1CCCN([C@@H]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)C1 ZINC000101388259 559146755 /nfs/dbraw/zinc/14/67/55/559146755.db2.gz VWTJKXUNEWVTKH-QZTJIDSGSA-N -1 3 420.509 3.806 50 0 HHAAHM CCc1cccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)c1 ZINC000004874166 559194899 /nfs/dbraw/zinc/19/48/99/559194899.db2.gz XUYTXJPLDNUWPZ-IBGZPJMESA-N -1 3 414.552 3.839 50 0 HHAAHM CCc1ccc(-n2c(O)c([C@H]3NCCc4c5ccccc5[nH]c43)c(=O)[n-]c2=S)cc1 ZINC000100752450 559263416 /nfs/dbraw/zinc/26/34/16/559263416.db2.gz KKACRSMSNMAPQG-HXUWFJFHSA-N -1 3 418.522 3.879 50 0 biogenic HHAAHM Cc1ccc([O-])c(C(=O)N2CC[C@@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3=O)c1 ZINC000426537435 559274671 /nfs/dbraw/zinc/27/46/71/559274671.db2.gz GSWRXTLEJPINMM-HSZRJFAPSA-N -1 3 414.452 3.634 50 0 HHAAHM CCCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(C)cc3C)ccc21 ZINC000017287011 560705820 /nfs/dbraw/zinc/70/58/20/560705820.db2.gz KJNMTWRUMKDKAG-UHFFFAOYSA-N -1 3 422.572 3.597 50 0 HHAAHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2F)cc1 ZINC000004747999 560736367 /nfs/dbraw/zinc/73/63/67/560736367.db2.gz LDWJAIBCCWJDMH-UHFFFAOYSA-N -1 3 414.458 3.952 50 0 HHAAHM CCN(CC)c1ccc(NC(=O)CSc2nc3nc(C)cc(C)c3c(=O)[n-]2)cc1 ZINC000018128858 560779417 /nfs/dbraw/zinc/77/94/17/560779417.db2.gz FEEKGIUFOWOQHN-UHFFFAOYSA-N -1 3 411.531 3.924 50 0 HHAAHM COc1cc(Cl)c(C)cc1N1C(=O)[C@H]2C(c3ccc(Cl)cc3)=NOC2=C1[O-] ZINC000102562746 560816417 /nfs/dbraw/zinc/81/64/17/560816417.db2.gz VVIUAAGTRIKSQP-DOTOQJQBSA-N -1 3 405.237 3.603 50 0 HHAAHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2F)c1 ZINC000102764833 560825074 /nfs/dbraw/zinc/82/50/74/560825074.db2.gz VVZSTPFSPDKUIM-FDFHNCONSA-N -1 3 418.424 3.885 50 0 HHAAHM CCOC(=O)C(=C([O-])CSc1nccn1-c1cccc(C)c1)c1nc(C)cs1 ZINC000102810157 560828995 /nfs/dbraw/zinc/82/89/95/560828995.db2.gz RFAGCZCULFGNEY-KRWDZBQOSA-N -1 3 415.540 3.954 50 0 HHAAHM C[C@H]1CCCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1 ZINC000024579700 560860236 /nfs/dbraw/zinc/86/02/36/560860236.db2.gz VMICHFNEQOWSTE-HNNXBMFYSA-N -1 3 406.935 3.833 50 0 HHAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1-c1nc(CC)no1 ZINC000046020131 568423897 /nfs/dbraw/zinc/42/38/97/568423897.db2.gz BLCRDEYIPBBKAA-UHFFFAOYSA-N -1 3 403.460 3.507 50 0 HHAAHM CCCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C)c(Cl)c1)CC(=O)N2 ZINC000046074257 568426726 /nfs/dbraw/zinc/42/67/26/568426726.db2.gz IRZJELDIYSUENE-GFCCVEGCSA-N -1 3 420.922 3.688 50 0 HHAAHM CCc1ccc2nc([N-]C(=O)c3cc(S(=O)(=O)N4CCCC4)c(C)o3)sc2c1 ZINC000040129463 568621348 /nfs/dbraw/zinc/62/13/48/568621348.db2.gz WPIJGKMZDGIRNX-UHFFFAOYSA-N -1 3 419.528 3.797 50 0 HHAAHM CC(C)n1cnc(S(=O)(=O)[N-]C[C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NO2)c1 ZINC000095469429 568625564 /nfs/dbraw/zinc/62/55/64/568625564.db2.gz VSUSIINEFGSWDG-FQEVSTJZSA-N -1 3 424.526 3.603 50 0 HHAAHM CC(C)n1cnc(S(=O)(=O)[N-]C[C@H]2CC(c3ccc(-c4ccccc4)cc3)=NO2)c1 ZINC000095469430 568625618 /nfs/dbraw/zinc/62/56/18/568625618.db2.gz VSUSIINEFGSWDG-HXUWFJFHSA-N -1 3 424.526 3.603 50 0 HHAAHM COC(=O)C[C@@H](c1cccnc1)c1oc(CSc2ccc(F)cc2)cc(=O)c1[O-] ZINC000095473714 568628879 /nfs/dbraw/zinc/62/88/79/568628879.db2.gz IFROLGQBGXFWGB-KRWDZBQOSA-N -1 3 415.442 3.867 50 0 HHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccccc2OCc2ccccc2Cl)S1 ZINC000020896105 568649080 /nfs/dbraw/zinc/64/90/80/568649080.db2.gz BCFRIFYYMHBLSU-SFHVURJKSA-N -1 3 403.891 3.920 50 0 HHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cccc(OC(=O)c3ccc(Cl)cc3)c2)S1 ZINC000020896582 568649106 /nfs/dbraw/zinc/64/91/06/568649106.db2.gz JDCOHGOZDLKBPN-QGZVFWFLSA-N -1 3 417.874 3.560 50 0 HHAAHM CCOc1nn(CC)cc1C(=O)[N-]c1nnc(SCCc2ccccc2)s1 ZINC000021011712 568657618 /nfs/dbraw/zinc/65/76/18/568657618.db2.gz YJRMEHHPZNKCLQ-UHFFFAOYSA-N -1 3 403.533 3.740 50 0 HHAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@@H]2c1ccncc1 ZINC000229809328 568715532 /nfs/dbraw/zinc/71/55/32/568715532.db2.gz DVBZCJRJEDPHLH-XUVXKRRUSA-N -1 3 405.841 3.786 50 0 HHAAHM Cc1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)c(C)c1 ZINC000021651485 568729327 /nfs/dbraw/zinc/72/93/27/568729327.db2.gz UUWVTHNZRCEDSL-IBGZPJMESA-N -1 3 414.552 3.893 50 0 HHAAHM CC[C@@H]1CCCN(C(=O)c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2[O-])C1 ZINC000031678171 568837728 /nfs/dbraw/zinc/83/77/28/568837728.db2.gz UKSHHHAOBJWXRC-OAHLLOKOSA-N -1 3 412.486 3.924 50 0 HHAAHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccsc3)c2)cc1 ZINC000012535949 568845518 /nfs/dbraw/zinc/84/55/18/568845518.db2.gz BQBCBZPSBVADQG-UHFFFAOYSA-N -1 3 418.496 3.818 50 0 HHAAHM CSc1ccc([C@@H]2CC(c3ccccc3[O-])=NC3(CCN(C(C)=O)CC3)N2)cc1 ZINC000015830057 568928789 /nfs/dbraw/zinc/92/87/89/568928789.db2.gz BZQRYQWVKSKBFT-FQEVSTJZSA-N -1 3 409.555 3.976 50 0 HHAAHM CCCOc1c(Cl)cc(C(=O)N(C)Cc2nc3ccsc3c(=O)[n-]2)cc1OC ZINC000012747062 568932883 /nfs/dbraw/zinc/93/28/83/568932883.db2.gz OWTBBXLCPFRTFZ-UHFFFAOYSA-N -1 3 421.906 3.708 50 0 HHAAHM CS(=O)(=O)[N-]c1cc(NC(=O)COc2cc(Cl)ccc2Cl)ccc1F ZINC000012756213 568943144 /nfs/dbraw/zinc/94/31/44/568943144.db2.gz WHBOHKAPFPJRPL-UHFFFAOYSA-N -1 3 407.250 3.522 50 0 HHAAHM CSCC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1ccc(C(C)C)cc1 ZINC000012779016 568956346 /nfs/dbraw/zinc/95/63/46/568956346.db2.gz BIIUEAZVQATXIH-SFHVURJKSA-N -1 3 424.563 3.988 50 0 HHAAHM CCc1cc2c(cc1OC(=O)N1CCOCC1)occ(-c1nc3ccccc3[n-]1)c2=O ZINC000001447854 568985671 /nfs/dbraw/zinc/98/56/71/568985671.db2.gz PQLPXYDIKRXPGJ-UHFFFAOYSA-N -1 3 419.437 3.730 50 0 HHAAHM Cc1ccc(CNC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)cc1 ZINC000012934200 569025822 /nfs/dbraw/zinc/02/58/22/569025822.db2.gz JFGWHIIGEVHSFD-UHFFFAOYSA-N -1 3 413.326 3.673 50 0 HHAAHM Cc1ccc(-c2nc(C(=O)N3CCN(C(=O)c4ccccc4[O-])CC3)cs2)c(C)c1 ZINC000064033314 569038242 /nfs/dbraw/zinc/03/82/42/569038242.db2.gz DTQAPZHHDQJRLI-UHFFFAOYSA-N -1 3 421.522 3.731 50 0 HHAAHM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)c1 ZINC000006315323 569040256 /nfs/dbraw/zinc/04/02/56/569040256.db2.gz GTLQOSDIQYHCQR-UHFFFAOYSA-N -1 3 406.685 3.921 50 0 HHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc1Br ZINC000006328594 569043392 /nfs/dbraw/zinc/04/33/92/569043392.db2.gz FQGDJDKJHJRMBA-UHFFFAOYSA-N -1 3 408.220 3.860 50 0 HHAAHM Cc1cccc(-c2nc3c(c(=O)[n-]2)CN(C(=O)c2ccccc2Br)CC3)c1 ZINC000016531061 569058384 /nfs/dbraw/zinc/05/83/84/569058384.db2.gz DOCLGLBWQCOQIA-UHFFFAOYSA-N -1 3 424.298 3.706 50 0 HHAAHM COCCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1Br ZINC000089420207 569060158 /nfs/dbraw/zinc/06/01/58/569060158.db2.gz NKYOADXYJCBXDH-UHFFFAOYSA-N -1 3 420.712 3.929 50 0 HHAAHM O=S(=O)([N-]C[C@@H](c1ccco1)N1CCCCC1)c1ccccc1C(F)(F)F ZINC000006541461 569064757 /nfs/dbraw/zinc/06/47/57/569064757.db2.gz BAWREIHLGHZRQT-HNNXBMFYSA-N -1 3 402.438 3.804 50 0 HHAAHM CCOC(=O)C1CCN(Cc2nc(=O)c3c(-c4ccccc4C)csc3[n-]2)CC1 ZINC000036203841 569109631 /nfs/dbraw/zinc/10/96/31/569109631.db2.gz XKCNSWYXTMRFRF-UHFFFAOYSA-N -1 3 411.527 3.735 50 0 HHAAHM CC[C@@H](C)NC(=O)N1CCC[C@H]1c1nnc(C(=O)[N-]c2ccc(F)c(F)c2)s1 ZINC000064930884 569124393 /nfs/dbraw/zinc/12/43/93/569124393.db2.gz OAGAUUHOZFTAKQ-YGRLFVJLSA-N -1 3 409.462 3.714 50 0 HHAAHM Cc1ncc(-c2ccc(S(=O)(=O)[N-]Cc3cccc(Br)c3)s2)o1 ZINC000065003982 569152284 /nfs/dbraw/zinc/15/22/84/569152284.db2.gz GRZXBLMRRCLKKC-UHFFFAOYSA-N -1 3 413.318 3.953 50 0 HHAAHM CCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)nc1 ZINC000065063427 569167006 /nfs/dbraw/zinc/16/70/06/569167006.db2.gz AWAQMXCYSVUHOL-UHFFFAOYSA-N -1 3 411.483 3.733 50 0 HHAAHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3)c2)cc1 ZINC000006897189 569175939 /nfs/dbraw/zinc/17/59/39/569175939.db2.gz SIHNKSNYOHBZBN-UHFFFAOYSA-N -1 3 412.467 3.757 50 0 HHAAHM CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000065115771 569179749 /nfs/dbraw/zinc/17/97/49/569179749.db2.gz NEWZNZGRRAGMPI-UHFFFAOYSA-N -1 3 403.435 3.857 50 0 HHAAHM O=C(c1cccc(COc2ccc(F)cc2F)c1)N1NC=C[C@@]1([O-])C(F)(F)F ZINC000006925912 569183513 /nfs/dbraw/zinc/18/35/13/569183513.db2.gz DMXHCJPZAOJMDI-QGZVFWFLSA-N -1 3 400.303 3.626 50 0 HHAAHM CC(C)(C)c1cc([N-]C(=O)COC(=O)c2csc(NCc3ccccc3)n2)on1 ZINC000014634069 569261135 /nfs/dbraw/zinc/26/11/35/569261135.db2.gz LSJPGCVRTANHCV-UHFFFAOYSA-N -1 3 414.487 3.836 50 0 HHAAHM COc1ccccc1-n1ncc2c1nc(SCC(=O)Nc1cccc(C)c1)[n-]c2=O ZINC000017123215 569275149 /nfs/dbraw/zinc/27/51/49/569275149.db2.gz UHLFFIYZDGGKDV-UHFFFAOYSA-N -1 3 421.482 3.569 50 0 HHAAHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)NC1CCCC1 ZINC000002869524 569278138 /nfs/dbraw/zinc/27/81/38/569278138.db2.gz QWSCQBGDRYMWTI-UHFFFAOYSA-N -1 3 408.907 3.578 50 0 HHAAHM CCOC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C)nc2Cl)c(Cl)c1 ZINC000328596143 569416042 /nfs/dbraw/zinc/41/60/42/569416042.db2.gz VAWLDRLOKQZHCU-UHFFFAOYSA-N -1 3 403.287 3.603 50 0 HHAAHM COC(=O)c1sc2[n-]c(CSc3nc4cc(C)ccc4[nH]3)nc(=O)c2c1C ZINC000008579242 571082743 /nfs/dbraw/zinc/08/27/43/571082743.db2.gz NBHNVZVDZAWCNM-UHFFFAOYSA-N -1 3 400.485 3.557 50 0 HHAAHM COC(=O)c1sc2[n-]c(CSc3nc4ccc(C)cc4[nH]3)nc(=O)c2c1C ZINC000008579242 571082746 /nfs/dbraw/zinc/08/27/46/571082746.db2.gz NBHNVZVDZAWCNM-UHFFFAOYSA-N -1 3 400.485 3.557 50 0 HHAAHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CCC)cc1 ZINC000008840598 571123672 /nfs/dbraw/zinc/12/36/72/571123672.db2.gz JDXKJGZQGRTUMW-UHFFFAOYSA-N -1 3 402.516 3.965 50 0 HHAAHM Cc1ccc2[nH]c(C(=O)Nc3ccc(S(=O)(=O)[N-]CC(F)(F)F)cc3)cc2c1 ZINC000040058804 571146336 /nfs/dbraw/zinc/14/63/36/571146336.db2.gz OIMPTFQRVYUDIT-UHFFFAOYSA-N -1 3 411.405 3.569 50 0 HHAAHM C[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1cccc(F)c1 ZINC000040144961 571195015 /nfs/dbraw/zinc/19/50/15/571195015.db2.gz ZHABFMNDCMRIDS-GFCCVEGCSA-N -1 3 405.426 3.585 50 0 HHAAHM CCOc1ccc(NC(=O)[C@@H]2C=C([O-])NC(Nc3cc(Cl)cc(Cl)c3)=N2)cc1 ZINC000009109084 571221987 /nfs/dbraw/zinc/22/19/87/571221987.db2.gz GWPZVHWRLYRPSH-INIZCTEOSA-N -1 3 421.284 3.687 50 0 HHAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3)cc1C ZINC000009168976 571233370 /nfs/dbraw/zinc/23/33/70/571233370.db2.gz XXWVORRIKYEFCR-UHFFFAOYSA-N -1 3 404.488 3.552 50 0 HHAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)c(C)c1 ZINC000009169876 571233380 /nfs/dbraw/zinc/23/33/80/571233380.db2.gz 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CCOc1ccccc1N1CCN(Cn2nc(-c3cccs3)[n-]c2=S)CC1 ZINC000006998208 132321928 /nfs/dbraw/zinc/32/19/28/132321928.db2.gz IOCBGQPGYWOMPN-UHFFFAOYSA-N -1 3 401.561 3.848 50 0 HHAAHM O=S(=O)([N-]C1CCN(c2ccnc3cc(Cl)ccc32)CC1)c1cccs1 ZINC000009459954 132340097 /nfs/dbraw/zinc/34/00/97/132340097.db2.gz OCBIIEFVIFPNAM-UHFFFAOYSA-N -1 3 407.948 3.897 50 0 HHAAHM Cc1cccc(NC(=O)c2cc(C(C)C)nc3c2c(=O)[n-]c(=O)n3CC(C)C)c1C ZINC000032032426 524658859 /nfs/dbraw/zinc/65/88/59/524658859.db2.gz DSAJPTMMFFRYQQ-UHFFFAOYSA-N -1 3 408.502 3.733 50 0 HHAAHM Cc1ccc(F)cc1NC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC(C)C ZINC000032059795 524868679 /nfs/dbraw/zinc/86/86/79/524868679.db2.gz CMWUCSKUQZEWAJ-UHFFFAOYSA-N -1 3 412.465 3.564 50 0 HHAAHM O=C(C1CC1)N1CCSc2ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cc21 ZINC000032943952 526286163 /nfs/dbraw/zinc/28/61/63/526286163.db2.gz QSOSTAVSGVPNOR-UHFFFAOYSA-N -1 3 410.467 3.614 50 0 HHAAHM O=C(CSc1nnc(-c2ccc([O-])cc2)o1)c1cc2c(cc1Cl)NC(=O)C2 ZINC000032101073 527076141 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50 0 HHAAHM CCc1nc2sc([C@H](c3ccc(OC)c(OC)c3)N3CCCCC3)c([O-])n2n1 ZINC000022853146 557840056 /nfs/dbraw/zinc/84/00/56/557840056.db2.gz IUQKGIDKOBVNIN-KRWDZBQOSA-N -1 3 402.520 3.651 50 0 HHAAHM Cc1onc(-c2ccccc2)c1C[N-]S(=O)(=O)c1ccc(-c2ccno2)s1 ZINC000012368796 558388826 /nfs/dbraw/zinc/38/88/26/558388826.db2.gz XWKASQBHVVFFFG-UHFFFAOYSA-N -1 3 401.469 3.845 50 0 HHAAHM CCc1ccc(NC(=O)CSc2nc3c(nc[n-]c3=O)n2-c2ccc(C)cc2)cc1 ZINC000012413375 558401443 /nfs/dbraw/zinc/40/14/43/558401443.db2.gz JGIBJERTZGFZMI-UHFFFAOYSA-N -1 3 419.510 3.710 50 0 biogenic,in-vitro HHAAHM O=S(=O)([N-]C1CCN(Cc2ccccc2C(F)(F)F)CC1)c1cccs1 ZINC000012998531 558499414 /nfs/dbraw/zinc/49/94/14/558499414.db2.gz LFONONVMOXOVIS-UHFFFAOYSA-N -1 3 404.479 3.710 50 0 HHAAHM CCCCOc1c(Cl)cc(C(=O)[N-]c2nnc(S(C)(=O)=O)s2)cc1Cl ZINC000013551841 558539116 /nfs/dbraw/zinc/53/91/16/558539116.db2.gz QVYLORBGSOQUOT-UHFFFAOYSA-N -1 3 424.331 3.680 50 0 HHAAHM CN(Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)C[C@@H]1COc2ccccc2O1 ZINC000023908556 558581079 /nfs/dbraw/zinc/58/10/79/558581079.db2.gz VMCGRFJVURCEMM-MRXNPFEDSA-N -1 3 419.506 3.923 50 0 HHAAHM CCOc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)cc1OCC ZINC000014201873 558637224 /nfs/dbraw/zinc/63/72/24/558637224.db2.gz ZAZZLPSWCGNRMZ-UHFFFAOYSA-N -1 3 413.879 3.709 50 0 HHAAHM CCOC(=O)[C@]([O-])(c1ccc(NC(=O)Nc2ccccc2)c(OC)c1)C(F)(F)F ZINC000003103301 558750078 /nfs/dbraw/zinc/75/00/78/558750078.db2.gz JHOKLHQTKVBRRJ-GOSISDBHSA-N -1 3 412.364 3.652 50 0 HHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCC(C)C)CC3)cc2)cc1 ZINC000033274488 558764123 /nfs/dbraw/zinc/76/41/23/558764123.db2.gz AFQQMDHHVMQCBI-UHFFFAOYSA-N -1 3 416.543 3.690 50 0 HHAAHM CCN(CC(=O)Nc1cccc(OC)c1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000034867904 558785904 /nfs/dbraw/zinc/78/59/04/558785904.db2.gz WXCMMMZPCMFETO-UHFFFAOYSA-N -1 3 406.442 3.551 50 0 HHAAHM CCOc1cc([C@@H]2c3c(=O)[n-]c(=O)[nH]c3Nc3ccc4ccccc4c32)ccc1O ZINC000004623543 558887272 /nfs/dbraw/zinc/88/72/72/558887272.db2.gz ZJEPWQJMFJOSQO-SFHVURJKSA-N -1 3 401.422 3.558 50 0 HHAAHM COC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1N1CCCC1 ZINC000058405958 558924379 /nfs/dbraw/zinc/92/43/79/558924379.db2.gz JLLKFTUAVWNTGG-UHFFFAOYSA-N -1 3 409.895 3.919 50 0 HHAAHM CCC[C@@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000096786941 558986930 /nfs/dbraw/zinc/98/69/30/558986930.db2.gz QHTHISMPQZWDSL-KURKYZTESA-N -1 3 415.287 3.928 50 0 HHAAHM CCOc1ccccc1N1CCN(Cc2cc(Br)c([O-])c(OC)c2)CC1 ZINC000067519072 558987166 /nfs/dbraw/zinc/98/71/66/558987166.db2.gz VQVRHWNHAUFSEP-UHFFFAOYSA-N -1 3 421.335 3.884 50 0 HHAAHM CCOc1cccc([C@@H]2CC(c3ccccc3[N-]S(C)(=O)=O)=NN2C(=O)CC)c1 ZINC000097105740 558994068 /nfs/dbraw/zinc/99/40/68/558994068.db2.gz QITWJLDSJSWJRF-FQEVSTJZSA-N -1 3 415.515 3.545 50 0 HHAAHM O=C([N-]c1nnc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)o1)c1ccccc1F ZINC000033290901 559045620 /nfs/dbraw/zinc/04/56/20/559045620.db2.gz UISDLBOMRPXTRY-NSHDSACASA-N -1 3 400.797 3.635 50 0 HHAAHM CCN(CCC[N-]S(=O)(=O)c1cc(-c2cc(C)no2)cs1)c1ccccc1 ZINC000033290260 559047188 /nfs/dbraw/zinc/04/71/88/559047188.db2.gz XXDQDEONWITIMF-UHFFFAOYSA-N -1 3 405.545 3.906 50 0 HHAAHM Cc1ccc(-c2cc(C(=O)N3NC4=C(CCCC4)[C@]3([O-])C(F)(F)F)[nH]n2)c(C)c1 ZINC000033327074 559059685 /nfs/dbraw/zinc/05/96/85/559059685.db2.gz NQZXPVCBMDQAAV-LIRRHRJNSA-N -1 3 406.408 3.946 50 0 HHAAHM Cc1ccc(-c2cc(C(=O)N3NC4=C(CCCC4)[C@@]3([O-])C(F)(F)F)[nH]n2)c(C)c1 ZINC000033327072 559059714 /nfs/dbraw/zinc/05/97/14/559059714.db2.gz NQZXPVCBMDQAAV-IFXJQAMLSA-N -1 3 406.408 3.946 50 0 HHAAHM Cc1ccccc1N1OC2=C([O-])N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]1c1ccncc1 ZINC000100723583 559138474 /nfs/dbraw/zinc/13/84/74/559138474.db2.gz XJZAFMJCRHXMSW-HKBOAZHASA-N -1 3 403.413 3.580 50 0 HHAAHM CC(C)c1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1 ZINC000100736697 559138849 /nfs/dbraw/zinc/13/88/49/559138849.db2.gz DCXCGORUUGMHBZ-FUHIMQAGSA-N -1 3 406.404 3.914 50 0 HHAAHM CCc1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)cc1 ZINC000004874074 559194865 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XIRGTAFIESYEAK-YPAWHYETSA-N -1 3 418.424 3.885 50 0 HHAAHM CCOc1cc(Nc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2)nc(C)n1 ZINC000012226339 560894563 /nfs/dbraw/zinc/89/45/63/560894563.db2.gz NJWXEQLKYLGSJU-UHFFFAOYSA-N -1 3 402.451 3.867 50 0 HHAAHM COc1cc(Nc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3)cc2)nc(C)n1 ZINC000012226223 560894963 /nfs/dbraw/zinc/89/49/63/560894963.db2.gz PCUIBQPGHURNAZ-UHFFFAOYSA-N -1 3 404.879 3.991 50 0 HHAAHM O=C([O-])[C@@]1(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CCCN(Cc2ccccc2)C1 ZINC000108377785 568418472 /nfs/dbraw/zinc/41/84/72/568418472.db2.gz HFYFGPHBUAUSQV-ABSDTBQOSA-N -1 3 412.452 3.591 50 0 HHAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC)c(-c3nc(C)no3)c2)cc1 ZINC000046020102 568423859 /nfs/dbraw/zinc/42/38/59/568423859.db2.gz BVJDBBHGICQRNE-UHFFFAOYSA-N -1 3 403.460 3.643 50 0 HHAAHM CCCc1noc(-c2cc(S(=O)(=O)[N-]c3ccc(OC)cc3)ccc2OC)n1 ZINC000046020185 568423886 /nfs/dbraw/zinc/42/38/86/568423886.db2.gz YFHJULLKPBSUFP-UHFFFAOYSA-N -1 3 403.460 3.507 50 0 HHAAHM O=c1[n-]n(C2CCCCCC2)c2c1[C@H](c1ccc3c(c1)OCO3)SCC(=O)N2 ZINC000005763989 568454909 /nfs/dbraw/zinc/45/49/09/568454909.db2.gz LFUROAGGFLAUGN-SFHVURJKSA-N -1 3 401.488 3.987 50 0 HHAAHM CN1OC[C@H](S(=O)(=O)[N-]Cc2cccc(F)c2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000245330067 568473546 /nfs/dbraw/zinc/47/35/46/568473546.db2.gz WVASQQZUTSBOAC-DLBZAZTESA-N -1 3 419.305 3.539 50 0 HHAAHM CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]Cc2cccs2)s1 ZINC000033306453 568514050 /nfs/dbraw/zinc/51/40/50/568514050.db2.gz NVJUYFGEWVGPJW-FNORWQNLSA-N -1 3 423.541 3.713 50 0 HHAAHM COc1ccc(-c2csc([N-]C(=O)c3nc4nc(C)cc(C)n4n3)n2)cc1Cl ZINC000020017533 568586128 /nfs/dbraw/zinc/58/61/28/568586128.db2.gz IKJZHNZIQVXUBD-UHFFFAOYSA-N -1 3 414.878 3.779 50 0 HHAAHM COC(=O)C[C@H](c1cccnc1)c1oc(CSc2ccccc2F)cc(=O)c1[O-] ZINC000095473030 568628339 /nfs/dbraw/zinc/62/83/39/568628339.db2.gz LWFODEWBAIWWBL-OAHLLOKOSA-N -1 3 415.442 3.867 50 0 HHAAHM CC(C)C(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@H]1c1ccc(F)cc1 ZINC000225514419 568645474 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/nfs/dbraw/zinc/88/72/39/558887239.db2.gz ZJEPWQJMFJOSQO-GOSISDBHSA-N -1 3 401.422 3.558 50 0 HHAAHM O=C(c1cc(Cl)ccc1Cl)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011450642 559076612 /nfs/dbraw/zinc/07/66/12/559076612.db2.gz IKYOWCCRZBXAPF-UHFFFAOYSA-N -1 3 419.355 3.638 50 0 HHAAHM CCOc1ccc(-n2c(O)c3n(-c4ccccc4)[n-]c(-c4ccccc4)c-3c2=O)cc1 ZINC000100563576 559136542 /nfs/dbraw/zinc/13/65/42/559136542.db2.gz WCMHVJXKHSMQGI-GMAHTHKFSA-N -1 3 411.461 3.868 50 0 HHAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000100722334 559138494 /nfs/dbraw/zinc/13/84/94/559138494.db2.gz AJAPTWKTHVPRHV-YPAWHYETSA-N -1 3 418.424 3.885 50 0 HHAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@H]2c1cccnc1 ZINC000101232114 559144122 /nfs/dbraw/zinc/14/41/22/559144122.db2.gz URMJABIZXOISIF-HSALFYBXSA-N -1 3 405.841 3.786 50 0 HHAAHM Cc1ccccc1OCc1nc(SCC(=O)c2cccc(N3CCCC3=O)c2)n[n-]1 ZINC000014113041 559151854 /nfs/dbraw/zinc/15/18/54/559151854.db2.gz FZFIXBUDXAPCEF-UHFFFAOYSA-N -1 3 422.510 3.794 50 0 HHAAHM Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)c1C ZINC000004874055 559194879 /nfs/dbraw/zinc/19/48/79/559194879.db2.gz WOVBZDBCEWHGHA-LJQANCHMSA-N -1 3 414.552 3.893 50 0 HHAAHM Cc1noc(C)c1COc1ccc(C(=O)OCc2nc3ccsc3c(=O)[n-]2)cc1 ZINC000005173505 559288305 /nfs/dbraw/zinc/28/83/05/559288305.db2.gz HWMMFPRIPYBFHV-UHFFFAOYSA-N -1 3 411.439 3.525 50 0 HHAAHM COc1cccc(-c2nc(CC[N-]S(=O)(=O)c3ccc(F)cc3F)cs2)c1 ZINC000005452053 560589362 /nfs/dbraw/zinc/58/93/62/560589362.db2.gz XFVUIVWUTJLARC-UHFFFAOYSA-N -1 3 410.467 3.618 50 0 HHAAHM O=S(=O)([N-]c1cc2c(cc1Br)OCCO2)c1ccccc1Cl ZINC000006654255 560632845 /nfs/dbraw/zinc/63/28/45/560632845.db2.gz MCTMMAAHCCKUPC-UHFFFAOYSA-N -1 3 404.669 3.675 50 0 HHAAHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCN2c2nccs2)c(Cl)cc1Cl ZINC000206783582 560746608 /nfs/dbraw/zinc/74/66/08/560746608.db2.gz OAFILBRYOMHEDB-NSHDSACASA-N -1 3 406.360 3.706 50 0 HHAAHM O=C1[C@@H]2C(c3ccc(Br)cc3)=NOC2=C([O-])N1c1ccc(F)c(Cl)c1 ZINC000101053463 560767870 /nfs/dbraw/zinc/76/78/70/560767870.db2.gz IPOZLQDLACFQCJ-HIFRSBDPSA-N -1 3 423.625 3.534 50 0 HHAAHM COc1ccc(S(=O)(=O)[N-]Cc2nc(-c3cccs3)no2)c(Cl)c1Cl ZINC000104571036 560851821 /nfs/dbraw/zinc/85/18/21/560851821.db2.gz PACXOKNUPGZJMM-UHFFFAOYSA-N -1 3 420.299 3.592 50 0 HHAAHM CCOc1cc(Nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)nc(C)n1 ZINC000012226278 560894973 /nfs/dbraw/zinc/89/49/73/560894973.db2.gz QGODEAHUCPREMI-UHFFFAOYSA-N -1 3 402.451 3.867 50 0 HHAAHM CCCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(F)c(Cl)c1)CC(=O)N2 ZINC000046074266 568426842 /nfs/dbraw/zinc/42/68/42/568426842.db2.gz YGXNJUVHNJHNTQ-JTQLQIEISA-N -1 3 424.885 3.519 50 0 HHAAHM COc1cc(CNC(=O)[C@H]2SCCc3sccc32)cc(Br)c1[O-] ZINC000095404211 568605746 /nfs/dbraw/zinc/60/57/46/568605746.db2.gz NTTARTPQBIIDTA-HNNXBMFYSA-N -1 3 414.346 3.872 50 0 HHAAHM CCOc1cc([C@@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OCc1ccccc1 ZINC000020895485 568648858 /nfs/dbraw/zinc/64/88/58/568648858.db2.gz OYRNFSCOWSMZSS-FQEVSTJZSA-N -1 3 413.499 3.665 50 0 HHAAHM O=S(=O)([N-]CCN1CCCCCC1)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000020977976 568653933 /nfs/dbraw/zinc/65/39/33/568653933.db2.gz ZXZUQTFLEMQGCF-UHFFFAOYSA-N -1 3 423.482 3.576 50 0 HHAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccccc1C(F)(F)F ZINC000021051992 568661028 /nfs/dbraw/zinc/66/10/28/568661028.db2.gz VAJDASLMDCRYDW-AWEZNQCLSA-N -1 3 406.451 3.709 50 0 HHAAHM Cc1cc(C)cc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)c1 ZINC000021651506 568710470 /nfs/dbraw/zinc/71/04/70/568710470.db2.gz XPXSHADPBITRLX-LJQANCHMSA-N -1 3 414.552 3.893 50 0 HHAAHM COCc1nc(CN(CC(C)C)C(=O)C(C)C)[n-]c(=O)c1Cc1cc(C)ccc1C ZINC000096317679 568726927 /nfs/dbraw/zinc/72/69/27/568726927.db2.gz JCMXHFFIUXTIEE-UHFFFAOYSA-N -1 3 413.562 3.765 50 0 HHAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000238881678 568727099 /nfs/dbraw/zinc/72/70/99/568727099.db2.gz AWYACEIVBOFBHB-BHIFYINESA-N -1 3 418.424 3.885 50 0 HHAAHM O=S(=O)([N-][C@@H](c1cccnc1)C1CCOCC1)c1ccccc1C(F)(F)F ZINC000225624924 568776996 /nfs/dbraw/zinc/77/69/96/568776996.db2.gz ISZMDVYNMWYXLO-QGZVFWFLSA-N -1 3 400.422 3.547 50 0 HHAAHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccc(Cl)s1 ZINC000225706763 568779510 /nfs/dbraw/zinc/77/95/10/568779510.db2.gz QSJBWHXNULMXBJ-ZETCQYMHSA-N -1 3 416.771 3.892 50 0 HHAAHM O=C(NCCc1ccc(F)cc1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000002636276 568792256 /nfs/dbraw/zinc/79/22/56/568792256.db2.gz ZPQYHMHTKSWLBY-UHFFFAOYSA-N -1 3 416.449 3.738 50 0 HHAAHM Cc1ccc(-n2ncc3c2nc(SCC(=O)Nc2cc(C)ccc2C)[n-]c3=O)cc1 ZINC000002717926 568802578 /nfs/dbraw/zinc/80/25/78/568802578.db2.gz NIOCGPLSKFDDHJ-UHFFFAOYSA-N -1 3 419.510 3.765 50 0 HHAAHM CS(=O)(=O)[N-]c1ccc(C(=O)CSc2nc3ccccc3n2C(F)F)cc1 ZINC000012544527 568849663 /nfs/dbraw/zinc/84/96/63/568849663.db2.gz PYRDTXRZNHMFOH-UHFFFAOYSA-N -1 3 411.455 3.778 50 0 HHAAHM O=C(CSCc1nc(=O)c2c(-c3cccs3)csc2[n-]1)Nc1ccccn1 ZINC000012545049 568849853 /nfs/dbraw/zinc/84/98/53/568849853.db2.gz MEVMKPVCHUASJV-UHFFFAOYSA-N -1 3 414.537 3.980 50 0 HHAAHM COc1ccc(CC(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1 ZINC000012548532 568851759 /nfs/dbraw/zinc/85/17/59/568851759.db2.gz UQZPIJCOCUFPDM-UHFFFAOYSA-N -1 3 414.458 3.816 50 0 HHAAHM CCN(CC)c1ccc(NC(=O)[C@H]([N-]S(=O)(=O)c2cccs2)C(C)C)cc1 ZINC000012634609 568883725 /nfs/dbraw/zinc/88/37/25/568883725.db2.gz FKGFYLLMJHXQSK-GOSISDBHSA-N -1 3 409.577 3.536 50 0 HHAAHM Cc1nc(-c2ccc(C)cc2)c(CC(=O)N(C)Cc2nc3ccsc3c(=O)[n-]2)s1 ZINC000030998448 568907979 /nfs/dbraw/zinc/90/79/79/568907979.db2.gz JXAITNONWTYBEZ-UHFFFAOYSA-N -1 3 424.551 3.926 50 0 HHAAHM CCN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C[C@@H]1COc2ccccc2O1 ZINC000031174086 568917057 /nfs/dbraw/zinc/91/70/57/568917057.db2.gz AUZSPIXSQWDAME-CQSZACIVSA-N -1 3 423.494 3.907 50 0 HHAAHM CCCN(CC(=O)Nc1ccc(F)c(Cl)c1)Cc1nc2ccsc2c(=O)[n-]1 ZINC000012730896 568922373 /nfs/dbraw/zinc/92/23/73/568922373.db2.gz GCSCBQFOBFTJFO-UHFFFAOYSA-N -1 3 408.886 3.628 50 0 HHAAHM COc1ccc(NC(=O)CSc2nnc([N-]C(=O)c3cccs3)s2)cc1 ZINC000004077880 568938692 /nfs/dbraw/zinc/93/86/92/568938692.db2.gz QZMBXXLBVIHMTA-UHFFFAOYSA-N -1 3 406.514 3.591 50 0 HHAAHM O=C([N-]c1nnc(C(F)(F)F)s1)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000059393282 568952875 /nfs/dbraw/zinc/95/28/75/568952875.db2.gz IBXBYRDJNRZRHR-UHFFFAOYSA-N -1 3 418.198 3.962 50 0 HHAAHM COCCN1CCCc2ccc([N-]S(=O)(=O)c3ccc(OC)c(Cl)c3)cc21 ZINC000035588272 569046162 /nfs/dbraw/zinc/04/61/62/569046162.db2.gz CCQUXCIBVRDEKI-UHFFFAOYSA-N -1 3 410.923 3.548 50 0 HHAAHM COc1ccccc1[C@H]1[C@@H](C(=O)[N-]C2=NCCS2)CCC(=O)N1c1ccc(C)cc1 ZINC000013019979 569051123 /nfs/dbraw/zinc/05/11/23/569051123.db2.gz VASXCHITDUPXSW-RXVVDRJESA-N -1 3 423.538 3.707 50 0 HHAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@@H]2c1cccnc1 ZINC000238937247 569053923 /nfs/dbraw/zinc/05/39/23/569053923.db2.gz URMJABIZXOISIF-XUVXKRRUSA-N -1 3 405.841 3.786 50 0 HHAAHM COc1ccc2[nH]cc(CCNC(=O)Cc3c(C)c4ccc([O-])c(C)c4oc3=O)c2c1 ZINC000006624285 569075543 /nfs/dbraw/zinc/07/55/43/569075543.db2.gz VBRKONHXGFTUIZ-UHFFFAOYSA-N -1 3 420.465 3.507 50 0 biogenic HHAAHM O=S(=O)([N-]CCn1c2ccccc2nc1-c1ccccc1)c1ccc(F)c(F)c1 ZINC000064888215 569115499 /nfs/dbraw/zinc/11/54/99/569115499.db2.gz GWUDEYDNSBVIQK-UHFFFAOYSA-N -1 3 413.449 3.960 50 0 HHAAHM CC[C@@H](C)NC(=O)N1CCC[C@@H]1c1nnc(C(=O)[N-]c2ccc(F)c(F)c2)s1 ZINC000064930882 569124450 /nfs/dbraw/zinc/12/44/50/569124450.db2.gz OAGAUUHOZFTAKQ-QMTHXVAHSA-N -1 3 409.462 3.714 50 0 HHAAHM CC(C)Cc1nc2cc([N-]S(=O)(=O)c3ccc(N4CCCC4=O)cc3)ccc2[nH]1 ZINC000036359713 569151606 /nfs/dbraw/zinc/15/16/06/569151606.db2.gz WSACBHYMZSFEKP-UHFFFAOYSA-N -1 3 412.515 3.689 50 0 HHAAHM CC(C)Cc1nc2ccc([N-]S(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2[nH]1 ZINC000036359713 569151607 /nfs/dbraw/zinc/15/16/07/569151607.db2.gz WSACBHYMZSFEKP-UHFFFAOYSA-N -1 3 412.515 3.689 50 0 HHAAHM CCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)nc1 ZINC000065063347 569166928 /nfs/dbraw/zinc/16/69/28/569166928.db2.gz HHWWDYQWLNAZTI-UHFFFAOYSA-N -1 3 415.446 3.564 50 0 HHAAHM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000007109273 569221436 /nfs/dbraw/zinc/22/14/36/569221436.db2.gz VOJAVAWZNSAPFK-UHFFFAOYSA-N -1 3 414.358 3.936 50 0 HHAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)C[C@H]2c1cc(Br)cc2c1OCOC2 ZINC000071283082 569251888 /nfs/dbraw/zinc/25/18/88/569251888.db2.gz XPQJDLPOADBTNP-NSHDSACASA-N -1 3 408.252 3.510 50 0 HHAAHM O=C(NCc1ccncc1)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000010036903 569252995 /nfs/dbraw/zinc/25/29/95/569252995.db2.gz FDROBKROHVBPGS-UHFFFAOYSA-N -1 3 419.865 3.605 50 0 HHAAHM O=c1cc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccc([O-])cc2o1 ZINC000089887745 569267739 /nfs/dbraw/zinc/26/77/39/569267739.db2.gz WADQIHHZASFRPU-UHFFFAOYSA-N -1 3 404.388 3.840 50 0 HHAAHM CCOC(=O)N[C@@]([N-]c1ccc(Cl)c(Cl)c1)(C(=O)OCC)C(F)(F)F ZINC000002317316 569373174 /nfs/dbraw/zinc/37/31/74/569373174.db2.gz RBAOYRTZYMLJKZ-ZDUSSCGKSA-N -1 3 403.184 3.973 50 0 HHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Nc3ccc(-n4cccn4)nn3)cc2)cc1 ZINC000013009945 569407103 /nfs/dbraw/zinc/40/71/03/569407103.db2.gz QYRRCYRJHCDUOK-UHFFFAOYSA-N -1 3 406.471 3.515 50 0 HHAAHM CCCN1CCc2nc(SCC(=O)Nc3cccc(Cl)c3C)[n-]c(=O)c2C1 ZINC000067291816 571068139 /nfs/dbraw/zinc/06/81/39/571068139.db2.gz HLXAGCUPGYUVIO-UHFFFAOYSA-N -1 3 406.939 3.643 50 0 HHAAHM Cc1ccc(CS(=O)(=O)c2ncc(Cl)c(C(=O)[N-]c3ccccc3F)n2)cc1 ZINC000008917470 571153455 /nfs/dbraw/zinc/15/34/55/571153455.db2.gz KGIBDKWRLXWJMS-UHFFFAOYSA-N -1 3 419.865 3.804 50 0 HHAAHM O=C(Nc1nc2ccc(Br)cc2s1)c1c(O)nc2ccccc2c1[O-] ZINC000008974467 571197496 /nfs/dbraw/zinc/19/74/96/571197496.db2.gz HWVFLAKVWMMGCK-UHFFFAOYSA-N -1 3 416.256 3.858 50 0 HHAAHM COC(=O)c1oc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cc1C ZINC000040154522 571201693 /nfs/dbraw/zinc/20/16/93/571201693.db2.gz WKYNFBPMACUCCE-UHFFFAOYSA-N -1 3 406.866 3.584 50 0 HHAAHM CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)[N-]c2ccc(F)c(F)c2F)c1 ZINC000008988398 571206060 /nfs/dbraw/zinc/20/60/60/571206060.db2.gz MNAZRYNXXVHVBG-UHFFFAOYSA-N -1 3 404.385 3.526 50 0 HHAAHM CCCN1c2ccc([N-]S(=O)(=O)Cc3ccccc3F)cc2OCC(C)(C)C1=O ZINC000009167895 571233095 /nfs/dbraw/zinc/23/30/95/571233095.db2.gz JHIOOVDKUASGSI-UHFFFAOYSA-N -1 3 420.506 3.929 50 0 HHAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1C ZINC000009169974 571233542 /nfs/dbraw/zinc/23/35/42/571233542.db2.gz AJWKWBFFNBUSPA-UHFFFAOYSA-N -1 3 402.516 3.794 50 0 HHAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(CC)C(=O)C(C)(C)CO3)cc1 ZINC000009170439 571233617 /nfs/dbraw/zinc/23/36/17/571233617.db2.gz FHRGCWQVSDHHOG-UHFFFAOYSA-N -1 3 402.516 3.821 50 0 HHAAHM Cc1ccc([C@H]2CC(c3ccccc3[N-]S(C)(=O)=O)=NN2C(=O)c2ccco2)cc1 ZINC000009260447 571243761 /nfs/dbraw/zinc/24/37/61/571243761.db2.gz KZNODRITTVXHBL-HXUWFJFHSA-N -1 3 423.494 3.951 50 0 HHAAHM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000010321477 571300257 /nfs/dbraw/zinc/30/02/57/571300257.db2.gz OXBYMHQWVSILII-INIZCTEOSA-N -1 3 402.850 3.560 50 0 HHAAHM COCCOc1cccc(C=Cc2nc3c(c(=O)[n-]2)CCN(Cc2ccccc2)C3)c1 ZINC000089420214 969037665 /nfs/dbraw/zinc/03/76/65/969037665.db2.gz DWBAPQJQLOVWCE-ZHACJKMWSA-N -1 3 417.509 3.936 50 0 HHAAHM O=C(CSc1nnc([N-]C(=O)c2cccs2)s1)N1CCCc2ccccc21 ZINC000009366279 132233798 /nfs/dbraw/zinc/23/37/98/132233798.db2.gz WLOTVKHDIRVZLC-UHFFFAOYSA-N -1 3 416.553 3.923 50 0 HHAAHM COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(C/C=C/c4ccccc4)CC3)c2c1 ZINC000032070493 525494368 /nfs/dbraw/zinc/49/43/68/525494368.db2.gz QZPNDFMXQVSPLW-NPOAWEEOSA-N -1 3 405.498 3.633 50 0 HHAAHM C[C@@H](Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C(=O)N1CCCCCC1 ZINC000032810897 525708467 /nfs/dbraw/zinc/70/84/67/525708467.db2.gz LFACHULIOTXUJJ-MRXNPFEDSA-N -1 3 419.522 3.830 50 0 HHAAHM Cc1c([O-])ccc2c(COC(=O)c3ccc(N4CCCCC4=O)cc3)cc(=O)oc12 ZINC000032824129 525877848 /nfs/dbraw/zinc/87/78/48/525877848.db2.gz OBKKQMROCQOEHF-UHFFFAOYSA-N -1 3 407.422 3.681 50 0 HHAAHM O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000032902619 527104234 /nfs/dbraw/zinc/10/42/34/527104234.db2.gz DQVQOXZQEIKVOY-UHFFFAOYSA-N -1 3 402.380 3.738 50 0 HHAAHM O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000032902619 527104239 /nfs/dbraw/zinc/10/42/39/527104239.db2.gz DQVQOXZQEIKVOY-UHFFFAOYSA-N -1 3 402.380 3.738 50 0 HHAAHM O=S(=O)([N-]c1ccc(Br)cc1F)c1ccc2c(c1)NCCS2 ZINC000032943848 527248621 /nfs/dbraw/zinc/24/86/21/527248621.db2.gz HOKAJLAWFXHBSI-UHFFFAOYSA-N -1 3 403.298 3.907 50 0 HHAAHM Cc1nn(C)cc1CN(C)Cc1cccc(-c2nc(C(F)(F)F)c(C)c(=O)[n-]2)c1 ZINC000048353773 527691492 /nfs/dbraw/zinc/69/14/92/527691492.db2.gz VCKGLSUGVPVTCC-UHFFFAOYSA-N -1 3 405.424 3.850 50 0 HHAAHM COc1ccc(C(=O)N2NC(C3CCCCC3)=C[C@@]2([O-])C(F)(F)F)cc1OC ZINC000000793131 557082181 /nfs/dbraw/zinc/08/21/81/557082181.db2.gz AAPTZMAIRAYSSA-GOSISDBHSA-N -1 3 400.397 3.737 50 0 HHAAHM COc1ccc(CC(=O)Nc2ccc(Oc3ccc4c(c3)C(=O)[N-]C4=O)cc2)cc1 ZINC000001148514 557209449 /nfs/dbraw/zinc/20/94/49/557209449.db2.gz WVQKTZOBNUSERN-UHFFFAOYSA-N -1 3 402.406 3.552 50 0 HHAAHM CCOC(=O)[C@@]([O-])(c1ccc(N(CC)C(=O)c2cccc(F)c2)cc1)C(F)(F)F ZINC000002058450 557303252 /nfs/dbraw/zinc/30/32/52/557303252.db2.gz ZHJVEVKTWCQOBE-IBGZPJMESA-N -1 3 413.367 3.805 50 0 HHAAHM CC(=O)Oc1ccc(C(=O)Nc2ccc(Oc3ccc4c(c3)C(=O)[N-]C4=O)cc2)cc1 ZINC000002849828 557403886 /nfs/dbraw/zinc/40/38/86/557403886.db2.gz JDWJHCIOQDFFQI-UHFFFAOYSA-N -1 3 416.389 3.540 50 0 HHAAHM CCOC(=O)CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1 ZINC000004548514 557565844 /nfs/dbraw/zinc/56/58/44/557565844.db2.gz AAFZJSNKYKIJBC-UHFFFAOYSA-N -1 3 418.515 3.694 50 0 HHAAHM Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000004600307 557571386 /nfs/dbraw/zinc/57/13/86/557571386.db2.gz FBYOEQUYTUOXGO-UHFFFAOYSA-N -1 3 414.458 3.952 50 0 HHAAHM CCSc1nnc2c(n1)O[C@@]1([N-]c3ccccc3-2)C(=O)Nc2ccc(Cl)cc21 ZINC000005102403 557636199 /nfs/dbraw/zinc/63/61/99/557636199.db2.gz HFCJHVREZARONC-LJQANCHMSA-N -1 3 411.874 3.913 50 0 biogenic HHAAHM O=C([N-]c1nn(Cc2ccc(Cl)cc2Cl)cc1Cl)c1nc2ncccn2n1 ZINC000002808388 557767257 /nfs/dbraw/zinc/76/72/57/557767257.db2.gz YQXULXLWCAPAQU-UHFFFAOYSA-N -1 3 422.663 3.582 50 0 HHAAHM COc1cc(CN2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)cc(Cl)c1[O-] ZINC000012373205 558390649 /nfs/dbraw/zinc/39/06/49/558390649.db2.gz LXXJMZCPDFQMNN-CQSZACIVSA-N -1 3 406.885 3.835 50 0 HHAAHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)NCc2ccco2)c(Cl)cc1Cl ZINC000014240812 558643704 /nfs/dbraw/zinc/64/37/04/558643704.db2.gz QJQWWONOMGFIHJ-NSHDSACASA-N -1 3 419.330 3.983 50 0 HHAAHM COc1ccc(F)cc1S(=O)(=O)[N-]CCc1csc(-c2ccc(C)cc2)n1 ZINC000004570683 558743083 /nfs/dbraw/zinc/74/30/83/558743083.db2.gz QDHNIRUIDQGCGJ-UHFFFAOYSA-N -1 3 406.504 3.787 50 0 HHAAHM CC(C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2)CC1 ZINC000033274516 558764025 /nfs/dbraw/zinc/76/40/25/558764025.db2.gz LNTWWDQMJBAKNG-UHFFFAOYSA-N -1 3 412.555 3.922 50 0 HHAAHM CCCS(=O)(=O)[N-]c1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F ZINC000039059267 558819892 /nfs/dbraw/zinc/81/98/92/558819892.db2.gz YZDJQTHVDDOVHR-UHFFFAOYSA-N -1 3 413.833 3.877 50 0 in-vivo HHAAHM COc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)cc1 ZINC000004594324 558832045 /nfs/dbraw/zinc/83/20/45/558832045.db2.gz ULKULVGXVFRIFX-UHFFFAOYSA-N -1 3 415.298 3.695 50 0 HHAAHM O=S(=O)([N-]c1ccc(OC(F)(F)F)cc1)c1ccc2c(c1)-c1oncc1CO2 ZINC000033171261 558899987 /nfs/dbraw/zinc/89/99/87/558899987.db2.gz IHDULUCBIOSWCW-UHFFFAOYSA-N -1 3 412.345 3.933 50 0 HHAAHM O=C([O-])[C@H]1CCCN([C@@H]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)C1 ZINC000072194178 558931058 /nfs/dbraw/zinc/93/10/58/558931058.db2.gz VWTJKXUNEWVTKH-ZWKOTPCHSA-N -1 3 420.509 3.806 50 0 HHAAHM CCOc1ccc(-c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)cc1OCC ZINC000033276309 559036060 /nfs/dbraw/zinc/03/60/60/559036060.db2.gz RKPJWHBRBOOGJK-UHFFFAOYSA-N -1 3 403.460 3.573 50 0 HHAAHM COc1ccc(OC)c(C(=O)[N-]c2nnc(-c3ccc(Br)s3)o2)c1 ZINC000011695493 559188616 /nfs/dbraw/zinc/18/86/16/559188616.db2.gz QCPOMPMREJPBBP-UHFFFAOYSA-N -1 3 410.249 3.830 50 0 HHAAHM CCc1ccccc1NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000004874071 559194883 /nfs/dbraw/zinc/19/48/83/559194883.db2.gz UECPEPGJNTXJRF-IBGZPJMESA-N -1 3 414.552 3.839 50 0 HHAAHM CSCC[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000004909170 559201280 /nfs/dbraw/zinc/20/12/80/559201280.db2.gz DTOSQQQBMWFNRQ-CQSZACIVSA-N -1 3 418.993 3.749 50 0 HHAAHM CSCC[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cccc(Cl)c1C ZINC000004909081 559201284 /nfs/dbraw/zinc/20/12/84/559201284.db2.gz GVBPLWSBNZIMFF-AWEZNQCLSA-N -1 3 418.993 3.749 50 0 HHAAHM COc1cc(OC)cc(C(=O)[N-]n2c(=O)c3ccccc3nc2-c2cccc(C)c2)c1 ZINC000005199652 559292769 /nfs/dbraw/zinc/29/27/69/559292769.db2.gz HEFUOUBHNIYLIW-UHFFFAOYSA-N -1 3 415.449 3.773 50 0 HHAAHM Cc1cccc([C@@H]2CC(c3ccccc3[N-]S(C)(=O)=O)=NN2C(=O)c2ccco2)c1 ZINC000079112322 560541302 /nfs/dbraw/zinc/54/13/02/560541302.db2.gz GYUOJNQXJURYSK-FQEVSTJZSA-N -1 3 423.494 3.951 50 0 HHAAHM CCc1ccc([C@@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCO)cc1 ZINC000005340487 560567285 /nfs/dbraw/zinc/56/72/85/560567285.db2.gz LRADSPOGRVMFGW-OAQYLSRUSA-N -1 3 411.889 3.844 50 0 HHAAHM Cc1sc2c(c1C)C(=O)N[C@@H](c1ccc([O-])c(I)c1)N2 ZINC000005533945 560606131 /nfs/dbraw/zinc/60/61/31/560606131.db2.gz SYHSZDVLOFFYBC-GFCCVEGCSA-N -1 3 400.241 3.529 50 0 HHAAHM CCCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(C)c(C)c3)ccc21 ZINC000017286965 560705836 /nfs/dbraw/zinc/70/58/36/560705836.db2.gz CIUPMGAACTXTRZ-UHFFFAOYSA-N -1 3 422.572 3.597 50 0 HHAAHM CCCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3cc(C)ccc3C)ccc21 ZINC000017286949 560705840 /nfs/dbraw/zinc/70/58/40/560705840.db2.gz UIOHAXHPFFSPNR-UHFFFAOYSA-N -1 3 422.572 3.597 50 0 HHAAHM COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C([O-])=C2ON1c1ccccc1 ZINC000101039780 560767065 /nfs/dbraw/zinc/76/70/65/560767065.db2.gz DVRPZJPCGJGFTH-BDTNDASRSA-N -1 3 418.424 3.885 50 0 HHAAHM COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000018156169 560780254 /nfs/dbraw/zinc/78/02/54/560780254.db2.gz XIRGTAFIESYEAK-BDTNDASRSA-N -1 3 418.424 3.885 50 0 HHAAHM CCOc1ccc(NCc2cc(=O)n3nc(NCc4ccc(Cl)cc4)[n-]c3n2)cc1 ZINC000101795947 560801479 /nfs/dbraw/zinc/80/14/79/560801479.db2.gz BOSNTZWNBSPGQN-UHFFFAOYSA-N -1 3 424.892 3.694 50 0 HHAAHM COc1cc(OC)c([C@H]2[N-]c3nonc3N=C3CC(C)(C)CC(=O)C32)cc1OC ZINC000102750739 560825457 /nfs/dbraw/zinc/82/54/57/560825457.db2.gz UEAVOVVROVZQEM-QGZVFWFLSA-N -1 3 400.435 3.967 50 0 HHAAHM COc1cc([C@@H]2[N-]c3nonc3N=C3CC(C)(C)CC(=O)C32)cc(OC)c1OC ZINC000102752305 560825572 /nfs/dbraw/zinc/82/55/72/560825572.db2.gz CVCVIIUNQZVAOR-INIZCTEOSA-N -1 3 400.435 3.967 50 0 HHAAHM COc1ccc(-n2nc(C)c3c2NC(=O)CC3=C([O-])c2c(OC)cccc2OC)cc1 ZINC000046057812 568426365 /nfs/dbraw/zinc/42/63/65/568426365.db2.gz UWNRUXWRVMOVNW-INIZCTEOSA-N -1 3 421.453 3.515 50 0 HHAAHM CCOC(=O)N1CCC2(CC1)N=C(c1ccccc1[O-])C[C@H](c1ccc(OC)cc1)N2 ZINC000048990350 568444286 /nfs/dbraw/zinc/44/42/86/568444286.db2.gz KPPCQYAGAYJXOR-HXUWFJFHSA-N -1 3 423.513 3.873 50 0 biogenic HHAAHM COCCNCc1c2ccc(OC)cc2n(Cc2ccc(F)cc2Cl)c1C(=O)[O-] ZINC000006794479 568459218 /nfs/dbraw/zinc/45/92/18/568459218.db2.gz JQZYWPIZDQWBJN-UHFFFAOYSA-N -1 3 420.868 3.925 50 0 HHAAHM COC(=O)C1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(OCc4ccccc4)cc32)CC1 ZINC000012322757 568471164 /nfs/dbraw/zinc/47/11/64/568471164.db2.gz BZGHHCMWZJORFY-JOCHJYFZSA-N -1 3 422.481 3.758 50 0 HHAAHM COC(=O)C[C@H](c1ccco1)c1oc(CSc2ccccc2OC)cc(=O)c1[O-] ZINC000095476881 568630671 /nfs/dbraw/zinc/63/06/71/568630671.db2.gz AJZJWZUZSOZBLT-CQSZACIVSA-N -1 3 416.451 3.934 50 0 HHAAHM COc1ccc(-c2c(C)[nH]nc2-c2ccc(OCCN3CCOCC3)c(C)c2[O-])cc1 ZINC000020622826 568638257 /nfs/dbraw/zinc/63/82/57/568638257.db2.gz BBFKNKJBMOFTJH-UHFFFAOYSA-N -1 3 423.513 3.786 50 0 HHAAHM CC(C)CSC1=NC(=O)C([C@H]2NCCc3c4cc(Cl)ccc4[nH]c32)C([O-])=N1 ZINC000020759573 568641731 /nfs/dbraw/zinc/64/17/31/568641731.db2.gz JXWZIFZCFJGGNT-MRXNPFEDSA-N -1 3 404.923 3.593 50 0 biogenic HHAAHM CCOc1nn(CC)cc1C(=O)[N-]c1nnc(SCc2ccc(F)cc2)s1 ZINC000021011510 568657753 /nfs/dbraw/zinc/65/77/53/568657753.db2.gz WCJXYCDFGUQFLT-UHFFFAOYSA-N -1 3 407.496 3.837 50 0 HHAAHM CC(C)Oc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCOCC2)cc1 ZINC000096117022 568696388 /nfs/dbraw/zinc/69/63/88/568696388.db2.gz HZSSXTIXKNFRAJ-GOSISDBHSA-N -1 3 403.504 3.502 50 0 HHAAHM CC[C@](C[N-]S(=O)(=O)c1ccc(Br)s1)(OC)c1ccccc1 ZINC000096123783 568700163 /nfs/dbraw/zinc/70/01/63/568700163.db2.gz RPZXMUPVADROLP-OAHLLOKOSA-N -1 3 404.351 3.741 50 0 HHAAHM Cc1ccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)Nc3ccc(C)c(C)c3)n2)cc1 ZINC000021537181 568712271 /nfs/dbraw/zinc/71/22/71/568712271.db2.gz VIZNTLBWFKJYKT-UHFFFAOYSA-N -1 3 419.510 3.741 50 0 HHAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2)cc1 ZINC000238900784 568727414 /nfs/dbraw/zinc/72/74/14/568727414.db2.gz JYJQMKATQMDTHU-YPAWHYETSA-N -1 3 400.434 3.746 50 0 HHAAHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(F)cc1F ZINC000238950616 568727571 /nfs/dbraw/zinc/72/75/71/568727571.db2.gz YZCSIIBTITZEQU-OAHLLOKOSA-N -1 3 409.285 3.853 50 0 HHAAHM CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(C3CC3)o2)cc1 ZINC000002494226 568776155 /nfs/dbraw/zinc/77/61/55/568776155.db2.gz PGNHDBLHEALIEM-UHFFFAOYSA-N -1 3 420.535 3.502 50 0 HHAAHM C[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)Nc1ccc(Cl)cc1F ZINC000029896403 568847271 /nfs/dbraw/zinc/84/72/71/568847271.db2.gz MPIZMWVRZLHHMP-VIFPVBQESA-N -1 3 424.803 3.803 50 0 HHAAHM O=C(OCc1nc(=O)c2c3c(sc2[n-]1)CCCC3)c1ccccc1Br ZINC000003867048 568928046 /nfs/dbraw/zinc/92/80/46/568928046.db2.gz OGQCHVKDGOMTQZ-UHFFFAOYSA-N -1 3 419.300 3.983 50 0 HHAAHM O=C(c1cccc(Cl)c1Cl)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000012746993 568932890 /nfs/dbraw/zinc/93/28/90/568932890.db2.gz XVAFFKIDVMWSBW-UHFFFAOYSA-N -1 3 419.355 3.638 50 0 HHAAHM O=S(=O)([N-]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccccc1C(F)(F)F ZINC000084501801 568949661 /nfs/dbraw/zinc/94/96/61/568949661.db2.gz ZNSDCUWYXUCFGY-LBPRGKRZSA-N -1 3 420.403 3.788 50 0 HHAAHM O=C([N-]c1ccccc1F)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000012818261 568990488 /nfs/dbraw/zinc/99/04/88/568990488.db2.gz GUJLCMQEANSAMN-UHFFFAOYSA-N -1 3 416.499 3.887 50 0 HHAAHM CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1ccc([O-])c2ncccc12 ZINC000012844785 569010147 /nfs/dbraw/zinc/01/01/47/569010147.db2.gz RSJAIWSUMNMYDB-UHFFFAOYSA-N -1 3 405.376 3.910 50 0 HHAAHM Cc1ccnc2nc(C(=O)[N-]c3nc(-c4ccc(Br)s4)cs3)nn21 ZINC000012935726 569026664 /nfs/dbraw/zinc/02/66/64/569026664.db2.gz OLLDIJHVXUCUGX-UHFFFAOYSA-N -1 3 421.305 3.633 50 0 HHAAHM Cc1cc(C)n([C@@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)c2ccsc2)n1 ZINC000575612893 569032583 /nfs/dbraw/zinc/03/25/83/569032583.db2.gz CWEAFFVIYYYDJU-ZDUSSCGKSA-N -1 3 401.966 3.844 50 0 HHAAHM COc1ccc(N2OC3=C([O-])N(c4ccc(F)cc4)C(=O)[C@H]3[C@@H]2c2ccccc2)cc1 ZINC000239038588 569053961 /nfs/dbraw/zinc/05/39/61/569053961.db2.gz DMTLHMBJHHIBLA-FKBYEOEOSA-N -1 3 418.424 3.885 50 0 HHAAHM CCNC(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccc([O-])cc1)CC2 ZINC000006497073 569061361 /nfs/dbraw/zinc/06/13/61/569061361.db2.gz VUWXGKZLXJFUAE-DTQAZKPQSA-N -1 3 402.450 3.720 50 0 HHAAHM CC1(C)CN(C(=O)C2CC2)c2ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cc21 ZINC000065021166 569154376 /nfs/dbraw/zinc/15/43/76/569154376.db2.gz XEWJTWWKLAHQKD-UHFFFAOYSA-N -1 3 406.454 3.800 50 0 HHAAHM CCCn1cc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2OC)c2cccnc21 ZINC000065163184 569188382 /nfs/dbraw/zinc/18/83/82/569188382.db2.gz MEDVJLJOIDJCSW-UHFFFAOYSA-N -1 3 407.923 3.629 50 0 HHAAHM CCOC(=O)c1sc2[n-]c([C@H](C)Nc3ccc(NC(C)=O)cc3)nc(=O)c2c1C ZINC000007002022 569198901 /nfs/dbraw/zinc/19/89/01/569198901.db2.gz RYIXBDKXLAUMTR-NSHDSACASA-N -1 3 414.487 3.601 50 0 HHAAHM O=C(NC1CCCCC1)c1ccc(NCc2ccccc2N2CCOCC2)cc1[O-] ZINC000170616021 569247740 /nfs/dbraw/zinc/24/77/40/569247740.db2.gz NQZIIXDNOAHKPV-UHFFFAOYSA-N -1 3 409.530 3.903 50 0 HHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C2CCCC2)CC3)c(C)c1 ZINC000013696349 569257200 /nfs/dbraw/zinc/25/72/00/569257200.db2.gz NIJFRYCCDQIFGD-UHFFFAOYSA-N -1 3 414.527 3.884 50 0 HHAAHM COc1cccc(C(=O)[N-]n2c(=O)c3ccccc3nc2-c2ccccc2F)c1OC ZINC000027528427 569364387 /nfs/dbraw/zinc/36/43/87/569364387.db2.gz DSSFGOJILREUSD-UHFFFAOYSA-N -1 3 419.412 3.604 50 0 HHAAHM CC1CCN(c2nc3c(c(=O)[n-]2)[C@@H](c2ccc(OC(F)(F)F)cc2)CC(=O)N3)CC1 ZINC000585655803 569389804 /nfs/dbraw/zinc/38/98/04/569389804.db2.gz PZTAMPQNPDQXAP-CQSZACIVSA-N -1 3 422.407 3.791 50 0 HHAAHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c(F)c1 ZINC000328591341 569415004 /nfs/dbraw/zinc/41/50/04/569415004.db2.gz KKSHEDYSMFHWAG-UHFFFAOYSA-N -1 3 400.387 3.516 50 0 HHAAHM CCCN1CCc2nc(SCC(=O)Nc3c(C)cccc3Cl)[n-]c(=O)c2C1 ZINC000067291889 571068059 /nfs/dbraw/zinc/06/80/59/571068059.db2.gz QMAZIHRLFOVGCY-UHFFFAOYSA-N -1 3 406.939 3.643 50 0 HHAAHM [O-][C@@]1(C(F)(F)F)C2=C(NN1c1nc(-c3cccnc3)cs1)c1ccccc1OC2 ZINC000008777797 571118202 /nfs/dbraw/zinc/11/82/02/571118202.db2.gz FVGURTNJRHWURG-FZKQIMNGSA-N -1 3 418.400 3.689 50 0 HHAAHM C[C@]1(c2cccc(NC(=O)c3ccc(SC(F)(F)F)cc3)c2)NC(=O)[N-]C1=O ZINC000040111185 571169477 /nfs/dbraw/zinc/16/94/77/571169477.db2.gz PSQWTWGJWJVLKF-QGZVFWFLSA-N -1 3 409.389 3.605 50 0 HHAAHM Cc1oc(C(=O)[N-]c2nc3c(cc(C)cc3C)s2)cc1S(=O)(=O)N1CCCC1 ZINC000040128357 571179603 /nfs/dbraw/zinc/17/96/03/571179603.db2.gz QWHWVDWWKUPKEW-UHFFFAOYSA-N -1 3 419.528 3.851 50 0 HHAAHM CC(C)Oc1ccc(CNCc2nc(=O)c3c4c(sc3[n-]2)COC(C)(C)C4)cc1 ZINC000040267384 571214242 /nfs/dbraw/zinc/21/42/42/571214242.db2.gz QTXIDHWBRRWSBU-UHFFFAOYSA-N -1 3 413.543 3.913 50 0 HHAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3C)c(C)c1 ZINC000009165535 571232541 /nfs/dbraw/zinc/23/25/41/571232541.db2.gz RRTHKLDDWIIKLY-UHFFFAOYSA-N -1 3 402.516 3.794 50 0 HHAAHM CCOc1c(C)cc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3)cc1C ZINC000009169106 571233376 /nfs/dbraw/zinc/23/33/76/571233376.db2.gz YNCDQEYJQODVPR-UHFFFAOYSA-N -1 3 418.515 3.860 50 0 HHAAHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCCCC3)cc2)c1 ZINC000009356416 571251168 /nfs/dbraw/zinc/25/11/68/571251168.db2.gz QNMQTBSIKYRXME-UHFFFAOYSA-N -1 3 416.543 3.886 50 0 HHAAHM O=C([N-]c1nnc(SCCN2CCCC2)s1)c1cc(-c2ccccc2)on1 ZINC000070635152 571270404 /nfs/dbraw/zinc/27/04/04/571270404.db2.gz IBRDCQDDQICGGT-UHFFFAOYSA-N -1 3 401.517 3.633 50 0 HHAAHM O=C(NCc1ccccc1Cl)[C@H]([N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000009597738 571272519 /nfs/dbraw/zinc/27/25/19/571272519.db2.gz HDCTYAHBSRHEAT-GOSISDBHSA-N -1 3 420.943 3.738 50 0 HHAAHM COc1cc2c(cc1OC)CN(Cc1nc(=O)c3c(-c4ccco4)csc3[n-]1)CC2 ZINC000009727655 571282539 /nfs/dbraw/zinc/28/25/39/571282539.db2.gz ARQIMIKREDJSQE-UHFFFAOYSA-N -1 3 423.494 3.820 50 0 HHAAHM COc1ccc(Cl)cc1-n1nnc(-c2nsc([N-]C(=O)c3ccco3)n2)c1C ZINC000009941156 571291034 /nfs/dbraw/zinc/29/10/34/571291034.db2.gz CAAWBKOHPWYSNP-UHFFFAOYSA-N -1 3 416.850 3.602 50 0 HHAAHM C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000010293637 571299510 /nfs/dbraw/zinc/29/95/10/571299510.db2.gz WWMHASKTIRWSMO-AWEZNQCLSA-N -1 3 402.878 3.690 50 0 HHAAHM Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cccc4c3C(=O)[N-]C4=O)C2=O)cc1 ZINC000105773167 132227838 /nfs/dbraw/zinc/22/78/38/132227838.db2.gz IJBXBTUAPAMLOF-CPNJWEJPSA-N -1 3 423.428 3.519 50 0 HHAAHM O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)N1CCCc2ccccc21 ZINC000002717757 132257079 /nfs/dbraw/zinc/25/70/79/132257079.db2.gz ONCNDOPOCXLEIK-UHFFFAOYSA-N -1 3 417.494 3.593 50 0 HHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)c2ccco2)cc1 ZINC000005099596 132301066 /nfs/dbraw/zinc/30/10/66/132301066.db2.gz UWBPPRSRIFBYGK-UHFFFAOYSA-N -1 3 412.467 3.682 50 0 HHAAHM O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1cc(=O)c2ccccc2[n-]1 ZINC000005349875 132305211 /nfs/dbraw/zinc/30/52/11/132305211.db2.gz VXOJNWIYJDGAIT-UHFFFAOYSA-N -1 3 424.932 3.536 50 0 HHAAHM CC(=O)N(Cc1ccco1)c1nc(C)c(C(=O)[N-]c2nnc(C3CC3)s2)s1 ZINC000044921742 519470609 /nfs/dbraw/zinc/47/06/09/519470609.db2.gz XXBUNGAPASORJV-UHFFFAOYSA-N -1 3 403.489 3.579 50 0 HHAAHM Cc1cc(OCC(=O)N2NC3=C(CCCC3)[C@@]2([O-])C(F)(F)F)cc(C)c1Cl ZINC000032117696 525358441 /nfs/dbraw/zinc/35/84/41/525358441.db2.gz BJXKGEGKVRNNCW-SUMWQHHRSA-N -1 3 404.816 3.975 50 0 HHAAHM COc1ccc([C@H]2CCCCCN2C(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000042618452 525407733 /nfs/dbraw/zinc/40/77/33/525407733.db2.gz IQIQNRDHQKNMKN-HXUWFJFHSA-N -1 3 402.516 3.824 50 0 HHAAHM O=C(C1CC1)N1CCSc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3F)cc21 ZINC000032943966 526287963 /nfs/dbraw/zinc/28/79/63/526287963.db2.gz XAMWDPQIOACVLE-UHFFFAOYSA-N -1 3 410.467 3.614 50 0 HHAAHM COc1ccc(OCc2cccc(C(=O)N3NC(C)=C[C@]3([O-])C(F)(F)F)c2)cc1 ZINC000000652846 557039506 /nfs/dbraw/zinc/03/95/06/557039506.db2.gz ZXPMLPPSBQPEBT-IBGZPJMESA-N -1 3 408.376 3.747 50 0 HHAAHM COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCCC2)cc(Cl)c1[O-] ZINC000000844457 557098671 /nfs/dbraw/zinc/09/86/71/557098671.db2.gz FEYFGCWDEHGKDA-KRWDZBQOSA-N -1 3 408.882 3.948 50 0 HHAAHM CCCc1nnc([N-]C(=O)c2cc(OC)c(OC)c(OC)c2Br)s1 ZINC000000959428 557127015 /nfs/dbraw/zinc/12/70/15/557127015.db2.gz YWLWKWBYQUZBNU-UHFFFAOYSA-N -1 3 416.297 3.531 50 0 HHAAHM O=C([N-]c1nc2c(Br)cc(Br)cc2c(=O)s1)C1CCC1 ZINC000001029622 557146266 /nfs/dbraw/zinc/14/62/66/557146266.db2.gz SAQNQCRRDCWNOQ-UHFFFAOYSA-N -1 3 418.110 3.920 50 0 HHAAHM O=C(CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1)Nc1nccs1 ZINC000001058881 557162834 /nfs/dbraw/zinc/16/28/34/557162834.db2.gz NHYIMFWRVWYNSU-UHFFFAOYSA-N -1 3 409.496 3.827 50 0 HHAAHM CCCCN1C(=O)S/C(=C\c2ccc([O-])c(I)c2)C1=O ZINC000002816976 557395164 /nfs/dbraw/zinc/39/51/64/557395164.db2.gz QRXABRLNNSMNKT-WQLSENKSSA-N -1 3 403.241 3.833 50 0 HHAAHM CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000002881919 557419621 /nfs/dbraw/zinc/41/96/21/557419621.db2.gz BPCICRBDXMMRQA-UHFFFAOYSA-N -1 3 402.907 3.979 50 0 HHAAHM Cc1cc2c(nc(C)n([N-]C(=O)[C@H](C)n3nc(C(F)F)c(Cl)c3C)c2=O)s1 ZINC000002777575 557760979 /nfs/dbraw/zinc/76/09/79/557760979.db2.gz QKELTMKCPQYVNK-QMMMGPOBSA-N -1 3 415.853 3.502 50 0 HHAAHM Cc1cc(C(F)F)nn1Cc1n[n-]c(=S)n1-c1cnn(Cc2ccc(C)cc2)c1 ZINC000002808606 557767309 /nfs/dbraw/zinc/76/73/09/557767309.db2.gz OCVHDYOTKXJXCV-UHFFFAOYSA-N -1 3 415.473 3.600 50 0 HHAAHM O=C([N-]c1nn(Cc2ccc(Cl)c(Cl)c2)cc1Cl)c1nc2ncccn2n1 ZINC000002808714 557767504 /nfs/dbraw/zinc/76/75/04/557767504.db2.gz BASXWRXHCAPCAH-UHFFFAOYSA-N -1 3 422.663 3.582 50 0 HHAAHM CCc1nc2sc([C@@H](c3ccc(OC)c(OC)c3)N3CCCCC3)c([O-])n2n1 ZINC000022853150 557840046 /nfs/dbraw/zinc/84/00/46/557840046.db2.gz IUQKGIDKOBVNIN-QGZVFWFLSA-N -1 3 402.520 3.651 50 0 HHAAHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000011617189 558264774 /nfs/dbraw/zinc/26/47/74/558264774.db2.gz AJAPTWKTHVPRHV-FSSWDIPSSA-N -1 3 418.424 3.885 50 0 HHAAHM COc1c(C)cnc(CSc2nc3c(nc[n-]c3=O)n2-c2ccc(C)cc2)c1C ZINC000020394358 558359678 /nfs/dbraw/zinc/35/96/78/558359678.db2.gz MRQLPRXFWBYYFX-UHFFFAOYSA-N -1 3 407.499 3.730 50 0 HHAAHM COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2[O-])C12CCCCC2 ZINC000020737050 558408197 /nfs/dbraw/zinc/40/81/97/558408197.db2.gz ZFTSUDBVAIZRLY-OAQYLSRUSA-N -1 3 408.498 3.920 50 0 HHAAHM O=S(=O)([N-]CCc1cc(Cl)c2c(c1)OCCO2)c1ccccc1C(F)(F)F ZINC000022023841 558458609 /nfs/dbraw/zinc/45/86/09/558458609.db2.gz XQTPHNOOHMLRNV-UHFFFAOYSA-N -1 3 421.824 3.651 50 0 HHAAHM Cc1nn(Cc2ccccc2)c(C)c1C[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000012997353 558498949 /nfs/dbraw/zinc/49/89/49/558498949.db2.gz HLLUFTJZMMWCBG-UHFFFAOYSA-N -1 3 407.898 3.819 50 0 HHAAHM CCc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1 ZINC000023624186 558563824 /nfs/dbraw/zinc/56/38/24/558563824.db2.gz OBCKJMUPVMYCAH-MRXNPFEDSA-N -1 3 422.934 3.612 50 0 HHAAHM C[C@H]1CCc2noc([N-]C(=O)c3cc(=O)c4ccc(Br)cc4o3)c2C1 ZINC000027793452 558682696 /nfs/dbraw/zinc/68/26/96/558682696.db2.gz WGMZOTPEWRIABX-VIFPVBQESA-N -1 3 403.232 3.921 50 0 HHAAHM CCc1cc2c(CN3CCN(c4cc(C)nc(C(C)C)n4)CC3)cc(=O)oc2cc1[O-] ZINC000015032805 558703659 /nfs/dbraw/zinc/70/36/59/558703659.db2.gz JLPSDRRQFGIOPC-UHFFFAOYSA-N -1 3 422.529 3.605 50 0 HHAAHM O=C(Nc1ccccc1[O-])C1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000015043069 558704301 /nfs/dbraw/zinc/70/43/01/558704301.db2.gz MZJVLQWIRZWYEM-UHFFFAOYSA-N -1 3 412.877 3.946 50 0 HHAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)N[C@@H](C)CC)CC3)cc2)cc1 ZINC000033274548 558764043 /nfs/dbraw/zinc/76/40/43/558764043.db2.gz UMFNWJNUEGNCQM-INIZCTEOSA-N -1 3 400.544 3.996 50 0 HHAAHM CCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc2)CC1 ZINC000033274884 558764892 /nfs/dbraw/zinc/76/48/92/558764892.db2.gz RIOUHMAQPQBPCU-UHFFFAOYSA-N -1 3 400.544 3.970 50 0 HHAAHM CCCN1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4ccccc4)ccc3n2)CC1 ZINC000033010397 558829668 /nfs/dbraw/zinc/82/96/68/558829668.db2.gz VZZQBXSUTUNBMU-UHFFFAOYSA-N -1 3 418.497 3.717 50 0 HHAAHM Cc1cc(OCC(=O)NC2CCN(C(=O)c3ccccc3[O-])CC2)ccc1C(C)C ZINC000058304513 558917768 /nfs/dbraw/zinc/91/77/68/558917768.db2.gz DXBRHSKPIXSPIE-UHFFFAOYSA-N -1 3 410.514 3.624 50 0 HHAAHM O=C(Nc1ccc2c(c1)CCC2)N1CCc2c(=O)[n-]c(-c3ccc(F)cc3)nc2C1 ZINC000097087214 558990987 /nfs/dbraw/zinc/99/09/87/558990987.db2.gz BIGBMDZUUMBRRC-UHFFFAOYSA-N -1 3 404.445 3.655 50 0 HHAAHM CCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)Cc3cc(C)ccc3C)cc2s1 ZINC000033298937 559048257 /nfs/dbraw/zinc/04/82/57/559048257.db2.gz WVAAFJOTILHLFG-UHFFFAOYSA-N -1 3 424.569 3.649 50 0 HHAAHM CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]Cc2ccccc2)s1 ZINC000033306471 559051668 /nfs/dbraw/zinc/05/16/68/559051668.db2.gz ICLXXDVPNHUBBB-CSKARUKUSA-N -1 3 417.512 3.652 50 0 HHAAHM C[C@H]1CCCCN1S(=O)(=O)c1ccc([N-]S(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000098064881 559062685 /nfs/dbraw/zinc/06/26/85/559062685.db2.gz XKZHQHJPKRPEPP-ZQHZRZASSA-N -1 3 420.556 3.662 50 0 HHAAHM C[C@H]1CCc2c(C(=O)N3CCC([N-]S(=O)(=O)c4cccs4)CC3)csc2C1 ZINC000011450502 559076627 /nfs/dbraw/zinc/07/66/27/559076627.db2.gz MOOLWXVCHSOHLL-ZDUSSCGKSA-N -1 3 424.613 3.518 50 0 HHAAHM COc1cc(S(=O)(=O)[N-]C(C)(C)CC(C)(C)C)c(OC)cc1Br ZINC000011566481 559110469 /nfs/dbraw/zinc/11/04/69/559110469.db2.gz DJFUQAMRECDMNI-UHFFFAOYSA-N -1 3 408.358 3.959 50 0 HHAAHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000100510978 559136082 /nfs/dbraw/zinc/13/60/82/559136082.db2.gz AJAPTWKTHVPRHV-FKBYEOEOSA-N -1 3 418.424 3.885 50 0 HHAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(C(C)=O)[C@@H](c2ccc(F)cc2Cl)C1 ZINC000408525561 559215490 /nfs/dbraw/zinc/21/54/90/559215490.db2.gz BFFNSQDIXKRBPD-LJQANCHMSA-N -1 3 423.897 3.938 50 0 HHAAHM Cc1ccc([O-])c(C(=O)N2CC[C@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3=O)c1 ZINC000426537436 559274597 /nfs/dbraw/zinc/27/45/97/559274597.db2.gz GSWRXTLEJPINMM-QHCPKHFHSA-N -1 3 414.452 3.634 50 0 HHAAHM COc1ccccc1[C@H]1SCC(=O)Nc2c1c(=O)[n-]n2[C@@H]1CCOC(C)(C)C1 ZINC000005625263 560633652 /nfs/dbraw/zinc/63/36/52/560633652.db2.gz UEPNIWSBMBAOKJ-SJKOYZFVSA-N -1 3 403.504 3.502 50 0 HHAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](c1ccsc1)N1CCCC1 ZINC000008900118 560640231 /nfs/dbraw/zinc/64/02/31/560640231.db2.gz UOPDOHCIAMCAPZ-HNNXBMFYSA-N -1 3 400.953 3.526 50 0 HHAAHM O=C1[C@H]2C(c3ccc(Br)cc3)=NOC2=C([O-])N1c1cccc2ccccc21 ZINC000101070765 560770880 /nfs/dbraw/zinc/77/08/80/560770880.db2.gz WYZKGYKOYGOCGM-HKUYNNGSSA-N -1 3 421.250 3.895 50 0 HHAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccco2)cc1 ZINC000101997252 560806939 /nfs/dbraw/zinc/80/69/39/560806939.db2.gz HXJRKUHQBVJCQZ-HSALFYBXSA-N -1 3 424.840 3.993 50 0 HHAAHM COc1cc(Cl)c(C)cc1N1C(=O)[C@H]2C(c3ccc(Cl)cc3)=NOC2=C1[O-] ZINC000102562739 560816425 /nfs/dbraw/zinc/81/64/25/560816425.db2.gz VVIUAAGTRIKSQP-RDJZCZTQSA-N -1 3 405.237 3.603 50 0 HHAAHM COc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000102699128 560820149 /nfs/dbraw/zinc/82/01/49/560820149.db2.gz ABBALDGNDSAVGV-FDFHNCONSA-N -1 3 400.434 3.746 50 0 HHAAHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(O)cc1 ZINC000102711281 560822923 /nfs/dbraw/zinc/82/29/23/560822923.db2.gz MCEWVEMNJCRCNB-BHIFYINESA-N -1 3 400.434 3.752 50 0 HHAAHM Cc1c(-c2nsc([N-]C(=O)c3ccco3)n2)nnn1-c1cccc(C(F)(F)F)c1 ZINC000020848776 568644734 /nfs/dbraw/zinc/64/47/34/568644734.db2.gz XPMJZYVLSVBIFE-UHFFFAOYSA-N -1 3 420.376 3.958 50 0 HHAAHM CCCCOc1ccc(CNC(=O)[C@@H]([N-]S(=O)(=O)c2cccs2)C(C)C)cc1 ZINC000021052464 568660947 /nfs/dbraw/zinc/66/09/47/568660947.db2.gz UMLTYQXRQQJXMC-IBGZPJMESA-N -1 3 424.588 3.546 50 0 HHAAHM Cc1ccc(-c2nc3cccnc3n2CCC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000021155435 568673394 /nfs/dbraw/zinc/67/33/94/568673394.db2.gz KJEONRDFKXZAKN-UHFFFAOYSA-N -1 3 412.540 3.837 50 0 HHAAHM CC(C)C(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@H]1c1cccc(F)c1 ZINC000096012470 568684780 /nfs/dbraw/zinc/68/47/80/568684780.db2.gz VUSFBDLJUAQEAF-IBGZPJMESA-N -1 3 403.479 3.531 50 0 HHAAHM COC(=O)C[C@@H](c1ccco1)c1oc(CSc2ccc(OC)cc2)cc(=O)c1[O-] ZINC000096116169 568695942 /nfs/dbraw/zinc/69/59/42/568695942.db2.gz QEHPDPUQVFIREV-INIZCTEOSA-N -1 3 416.451 3.934 50 0 biogenic HHAAHM CC(C)Oc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCOCC2)cc1 ZINC000096117023 568696394 /nfs/dbraw/zinc/69/63/94/568696394.db2.gz HZSSXTIXKNFRAJ-SFHVURJKSA-N -1 3 403.504 3.502 50 0 HHAAHM COc1ccc([N-]S(=O)(=O)c2cc(-c3n[nH]c(=O)c4ccccc43)ccc2C)cc1 ZINC000000902556 568749761 /nfs/dbraw/zinc/74/97/61/568749761.db2.gz XTQZCXJOZGLPLG-UHFFFAOYSA-N -1 3 421.478 3.708 50 0 HHAAHM CCOC(=O)c1sc([N-]C(=O)c2noc3c2CCCC3)c(C(=O)OCC)c1C ZINC000002498129 568776628 /nfs/dbraw/zinc/77/66/28/568776628.db2.gz BOOZTLSWZLYURG-UHFFFAOYSA-N -1 3 406.460 3.529 50 0 aggregator HHAAHM Cc1ccccc1-n1c2sc(C(=O)c3ccc(Cl)cc3)c(N)c2c(=O)[n-]c1=O ZINC000002638276 568792818 /nfs/dbraw/zinc/79/28/18/568792818.db2.gz ZVKGYTDSDHNOOR-UHFFFAOYSA-N -1 3 411.870 3.516 50 0 HHAAHM O=C(CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[n-]1)N1CCCCCC1 ZINC000002717840 568802616 /nfs/dbraw/zinc/80/26/16/568802616.db2.gz XBEHCGAQSXTUJB-UHFFFAOYSA-N -1 3 417.922 3.669 50 0 HHAAHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC000012561187 568858577 /nfs/dbraw/zinc/85/85/77/568858577.db2.gz RFWPXNHXEHFJCX-HNNXBMFYSA-N -1 3 408.545 3.541 50 0 HHAAHM Cc1nc(C[N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)[nH]n3)sc2C)cs1 ZINC000670448120 568918859 /nfs/dbraw/zinc/91/88/59/568918859.db2.gz NIXLSKPNULFFTO-UHFFFAOYSA-N -1 3 422.479 3.709 50 0 HHAAHM CCOC([O-])=NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1 ZINC000012756932 568944247 /nfs/dbraw/zinc/94/42/47/568944247.db2.gz MLETYCNSIOWEBV-UHFFFAOYSA-N -1 3 409.533 3.555 50 0 HHAAHM CCOC(=O)[N-]C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1 ZINC000012756932 568944248 /nfs/dbraw/zinc/94/42/48/568944248.db2.gz MLETYCNSIOWEBV-UHFFFAOYSA-N -1 3 409.533 3.555 50 0 HHAAHM CCOc1ccc(CN2CCN(Cc3ccc([O-])c(Cl)c3)C[C@H]2CCO)cc1 ZINC000104556076 569009082 /nfs/dbraw/zinc/00/90/82/569009082.db2.gz WNYIEJZEOGQMMJ-LJQANCHMSA-N -1 3 404.938 3.513 50 0 HHAAHM Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)cc1F ZINC000015865794 569016691 /nfs/dbraw/zinc/01/66/91/569016691.db2.gz GCCXJHMYGFOTPQ-GOSISDBHSA-N -1 3 418.515 3.724 50 0 HHAAHM Cc1cc(C)n([C@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)c2ccsc2)n1 ZINC000575612892 569032602 /nfs/dbraw/zinc/03/26/02/569032602.db2.gz CWEAFFVIYYYDJU-CYBMUJFWSA-N -1 3 401.966 3.844 50 0 HHAAHM O=C(c1csc(S(=O)(=O)[N-][C@H]2CCCc3ccccc32)c1)N1CCCCC1 ZINC000035405202 569035806 /nfs/dbraw/zinc/03/58/06/569035806.db2.gz WRNJDWZROXJMDL-SFHVURJKSA-N -1 3 404.557 3.730 50 0 HHAAHM CS(=O)(=O)c1ccccc1C(=O)[N-]c1nnc(-c2cc(Cl)sc2Cl)o1 ZINC000035586465 569046144 /nfs/dbraw/zinc/04/61/44/569046144.db2.gz UPDQZYLBDQBKJK-UHFFFAOYSA-N -1 3 418.283 3.761 50 0 HHAAHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(CCOC)CCC3)cc1C ZINC000035588277 569046153 /nfs/dbraw/zinc/04/61/53/569046153.db2.gz KVTYFEUZNAVZDT-UHFFFAOYSA-N -1 3 418.559 3.984 50 0 HHAAHM COCCN1CCCc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc21 ZINC000035588239 569046218 /nfs/dbraw/zinc/04/62/18/569046218.db2.gz PNBHWTTWIGVNQG-UHFFFAOYSA-N -1 3 400.544 3.765 50 0 HHAAHM COc1ccc(F)cc1S(=O)(=O)[N-]Cc1ccc([C@H](O)c2cccs2)s1 ZINC000090749944 569049245 /nfs/dbraw/zinc/04/92/45/569049245.db2.gz MVGQMOAWJXLDRY-QGZVFWFLSA-N -1 3 413.517 3.518 50 0 HHAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccco2)cc1 ZINC000245238481 569055283 /nfs/dbraw/zinc/05/52/83/569055283.db2.gz QKCWRQZHQLQNEA-NJDAHSKKSA-N -1 3 404.422 3.729 50 0 HHAAHM COc1ccccc1CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000006590903 569068705 /nfs/dbraw/zinc/06/87/05/569068705.db2.gz JTZNOFDZPJYCFF-UHFFFAOYSA-N -1 3 414.458 3.565 50 0 HHAAHM CCCN1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)c(C(=O)[O-])c2)CC1 ZINC000064590277 569069166 /nfs/dbraw/zinc/06/91/66/569069166.db2.gz HVVOJALZPAJNJR-UHFFFAOYSA-N -1 3 401.894 3.823 50 0 HHAAHM CCc1csc(-c2ccc(S(=O)(=O)[N-]Cc3cc(OC)ccc3OC)s2)n1 ZINC000064755870 569089784 /nfs/dbraw/zinc/08/97/84/569089784.db2.gz AJVVJMJVGSYNQV-UHFFFAOYSA-N -1 3 424.569 3.930 50 0 HHAAHM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CS3)c(C)c1 ZINC000006779109 569119339 /nfs/dbraw/zinc/11/93/39/569119339.db2.gz KWZOMUOTGICEMA-UHFFFAOYSA-N -1 3 405.545 3.686 50 0 HHAAHM CC(C)CNC(=O)N1CCC[C@H]1c1nnc(C(=O)[N-]c2ccc(F)c(F)c2)s1 ZINC000064930889 569124399 /nfs/dbraw/zinc/12/43/99/569124399.db2.gz ZCSFWIBRYIANJJ-AWEZNQCLSA-N -1 3 409.462 3.571 50 0 HHAAHM Cc1sc2nc(CSCC(=O)Nc3cc(Cl)ccc3[O-])[nH]c(=O)c2c1C ZINC000036357033 569148707 /nfs/dbraw/zinc/14/87/07/569148707.db2.gz OOWPDCJGZIFBLQ-UHFFFAOYSA-N -1 3 409.920 3.832 50 0 HHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc3c4c2CC(=O)N4C[C@H](C)S3)c(Cl)c1 ZINC000006867770 569159240 /nfs/dbraw/zinc/15/92/40/569159240.db2.gz XMSABVJCWVLFPN-NSHDSACASA-N -1 3 408.932 3.833 50 0 HHAAHM Cc1cccc(Cl)c1OCc1ccc(C(=O)N2NC=C[C@]2([O-])C(F)(F)F)o1 ZINC000006924904 569183220 /nfs/dbraw/zinc/18/32/20/569183220.db2.gz ZGJKXOIBVPCSJO-INIZCTEOSA-N -1 3 402.756 3.903 50 0 HHAAHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)c2ncccc2O3)ccc1F ZINC000065241542 569201796 /nfs/dbraw/zinc/20/17/96/569201796.db2.gz ISSHNUQKHHIFBZ-UHFFFAOYSA-N -1 3 413.430 3.712 50 0 HHAAHM CCc1cccc(NC(=O)N2CCc3c(nc(-c4ccc(OC)cc4)[n-]c3=O)C2)c1 ZINC000065260328 569209616 /nfs/dbraw/zinc/20/96/16/569209616.db2.gz RRBREDKCRIAIDQ-UHFFFAOYSA-N -1 3 404.470 3.598 50 0 HHAAHM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000007109302 569221457 /nfs/dbraw/zinc/22/14/57/569221457.db2.gz IGYFKEVEELPDRA-UHFFFAOYSA-N -1 3 413.465 3.648 50 0 HHAAHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccccc1Cl ZINC000007375245 569234241 /nfs/dbraw/zinc/23/42/41/569234241.db2.gz FKDRNDIHHKTWQN-UHFFFAOYSA-N -1 3 404.713 3.980 50 0 HHAAHM COC(=O)CCCNC(=S)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000007368680 569235574 /nfs/dbraw/zinc/23/55/74/569235574.db2.gz NCZLZZCFXDZRRE-UHFFFAOYSA-N -1 3 401.513 3.909 50 0 HHAAHM CCOC(=O)[C@]([N-]c1cccc(F)c1)(NC(=O)c1ccccc1F)C(F)(F)F ZINC000002306215 569372428 /nfs/dbraw/zinc/37/24/28/569372428.db2.gz BSPXUFZJVPUUPN-KRWDZBQOSA-N -1 3 402.319 3.628 50 0 HHAAHM C[C@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)C(=O)NC1CCCC1 ZINC000013007462 569406679 /nfs/dbraw/zinc/40/66/79/569406679.db2.gz PRPCMCMXOGHMLB-NSHDSACASA-N -1 3 417.922 3.714 50 0 HHAAHM Cc1cccc([C@H]2CC(c3ccccc3[N-]S(C)(=O)=O)=NN2C(=O)c2ccco2)c1 ZINC000079112325 569428238 /nfs/dbraw/zinc/42/82/38/569428238.db2.gz GYUOJNQXJURYSK-HXUWFJFHSA-N -1 3 423.494 3.951 50 0 HHAAHM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000039560411 571133195 /nfs/dbraw/zinc/13/31/95/571133195.db2.gz IDONBJFWQZJWSV-GFCCVEGCSA-N -1 3 416.877 3.506 50 0 HHAAHM CCOc1ccc(-c2noc(CN3CCC(C(=O)Nc4ccccc4[O-])CC3)n2)cc1 ZINC000040063071 571147702 /nfs/dbraw/zinc/14/77/02/571147702.db2.gz AHROGWNIIAOKTQ-UHFFFAOYSA-N -1 3 422.485 3.692 50 0 HHAAHM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1C ZINC000040087676 571157844 /nfs/dbraw/zinc/15/78/44/571157844.db2.gz RDYDNUZFUMARLT-UHFFFAOYSA-N -1 3 400.294 3.584 50 0 HHAAHM C[C@H](CCc1ccccc1)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000040115870 571173479 /nfs/dbraw/zinc/17/34/79/571173479.db2.gz INFNWFVFEQXLGO-OAHLLOKOSA-N -1 3 415.490 3.706 50 0 HHAAHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2occc2-c2ccccc2)cc1OC ZINC000040157544 571204166 /nfs/dbraw/zinc/20/41/66/571204166.db2.gz QCZPPGNHPDEZCD-UHFFFAOYSA-N -1 3 400.456 3.969 50 0 HHAAHM Cc1cc([O-])c(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2)N(CCO)C3=O)cc1Cl ZINC000009124632 571225980 /nfs/dbraw/zinc/22/59/80/571225980.db2.gz ASHSTLSWLKKMLU-LJQANCHMSA-N -1 3 418.280 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ZINC000083815608 568917636 /nfs/dbraw/zinc/91/76/36/568917636.db2.gz GQEKGBRDIXHKLB-UHFFFAOYSA-N -1 3 421.276 3.611 50 0 HHAAHM Cn1c(SCCC(=O)[N-]C(=O)c2ccc(C(C)(C)C)cc2)nnc1C(F)(F)F ZINC000012753184 568942334 /nfs/dbraw/zinc/94/23/34/568942334.db2.gz OTYOJRGYDBRZOU-UHFFFAOYSA-N -1 3 414.453 3.570 50 0 HHAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000012778592 568956169 /nfs/dbraw/zinc/95/61/69/568956169.db2.gz VCBGXYNDLGITLW-MRXNPFEDSA-N -1 3 421.569 3.813 50 0 HHAAHM C[C@H]1CSc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3Cl)cc2NC1=O ZINC000015730806 568981298 /nfs/dbraw/zinc/98/12/98/568981298.db2.gz OPZOTJWAUXQKNF-VIFPVBQESA-N -1 3 400.884 3.960 50 0 HHAAHM CC(C)(C)c1ccc(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000012819088 568990633 /nfs/dbraw/zinc/99/06/33/568990633.db2.gz WGYPPINHXGXLCJ-UHFFFAOYSA-N -1 3 406.573 3.629 50 0 HHAAHM CC(=O)c1cccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000012927445 569023975 /nfs/dbraw/zinc/02/39/75/569023975.db2.gz CSQBYPVSRQMOGE-JTQLQIEISA-N -1 3 415.298 3.502 50 0 HHAAHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2F)c1 ZINC000245312555 569055823 /nfs/dbraw/zinc/05/58/23/569055823.db2.gz VVZSTPFSPDKUIM-YPAWHYETSA-N -1 3 418.424 3.885 50 0 HHAAHM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c(C)c1 ZINC000006729935 569102739 /nfs/dbraw/zinc/10/27/39/569102739.db2.gz BSSFGZMZAJAGOB-INIZCTEOSA-N -1 3 415.559 3.940 50 0 HHAAHM CCSc1ncc(Cl)c(C(=O)[N-]c2sc(C(C)=O)c(C)c2C(=O)OC)n1 ZINC000006810478 569134429 /nfs/dbraw/zinc/13/44/29/569134429.db2.gz ZPLOEQKXWGCJFH-UHFFFAOYSA-N -1 3 413.908 3.853 50 0 HHAAHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ccc(C(=O)NC3CC3)cn2)cc1 ZINC000065063560 569166857 /nfs/dbraw/zinc/16/68/57/569166857.db2.gz XHDOHXDNGABOBG-UHFFFAOYSA-N -1 3 423.494 3.875 50 0 HHAAHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CCC2)cc1 ZINC000006934650 569184662 /nfs/dbraw/zinc/18/46/62/569184662.db2.gz XGWDXMFEQSRXPC-AWEZNQCLSA-N -1 3 400.500 3.574 50 0 HHAAHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000007217771 569229130 /nfs/dbraw/zinc/22/91/30/569229130.db2.gz YCXIJVUGNCXJIR-MRXNPFEDSA-N -1 3 401.513 3.945 50 0 HHAAHM CCC[C@H]([N-]S(=O)(=O)c1c2ncsc2ccc1Cl)c1nnc2ccccn21 ZINC000170597028 569241899 /nfs/dbraw/zinc/24/18/99/569241899.db2.gz GZUJBBNYUKVKAA-LBPRGKRZSA-N -1 3 421.935 3.812 50 0 HHAAHM Cc1c([O-])ccc2c(COC(=O)c3cc(Cl)c4c(c3)OCCCO4)cc(=O)oc12 ZINC000007556929 569249226 /nfs/dbraw/zinc/24/92/26/569249226.db2.gz QHZHZJUXQMVMKG-UHFFFAOYSA-N -1 3 416.813 3.979 50 0 HHAAHM CCCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(CC)cc3)ccc21 ZINC000016837521 569263778 /nfs/dbraw/zinc/26/37/78/569263778.db2.gz MKDHPGFXLFZQRE-UHFFFAOYSA-N -1 3 422.572 3.542 50 0 HHAAHM Cc1cc(N(C)C)nc(Nc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2)n1 ZINC000017013903 569271758 /nfs/dbraw/zinc/27/17/58/569271758.db2.gz STZJSSRMQVKNOQ-UHFFFAOYSA-N -1 3 401.467 3.535 50 0 HHAAHM COc1cc(OC)cc(C(=O)[N-]n2c(=O)c3ccccc3nc2C2CCCCC2)c1 ZINC000027528398 569364236 /nfs/dbraw/zinc/36/42/36/569364236.db2.gz PBHRHZRTEZCQHF-UHFFFAOYSA-N -1 3 407.470 3.845 50 0 HHAAHM CCCCOc1ccc(C(=O)NCC(=O)Nc2ccc([O-])c(C(F)(F)F)c2)cc1 ZINC000079076342 569426979 /nfs/dbraw/zinc/42/69/79/569426979.db2.gz AVZSQOCIHLXSMQ-UHFFFAOYSA-N -1 3 410.392 3.958 50 0 HHAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccco2)cc1 ZINC000238900195 571046562 /nfs/dbraw/zinc/04/65/62/571046562.db2.gz HXJRKUHQBVJCQZ-VAMGGRTRSA-N -1 3 424.840 3.993 50 0 HHAAHM CCCCN1c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3C)cc2CCC1=O ZINC000008840780 571123746 /nfs/dbraw/zinc/12/37/46/571123746.db2.gz COWREEHINCZKMY-UHFFFAOYSA-N -1 3 402.516 3.884 50 0 HHAAHM Cc1c(C(=O)[O-])sc2nc(CSc3ccccc3)nc(NCCN(C)C)c12 ZINC000008848216 571126027 /nfs/dbraw/zinc/12/60/27/571126027.db2.gz IPJHDCUYYJTOPB-UHFFFAOYSA-N -1 3 402.545 3.964 50 0 HHAAHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC)cc1C ZINC000008962395 571190065 /nfs/dbraw/zinc/19/00/65/571190065.db2.gz PAGXRPUFRNAWDC-UHFFFAOYSA-N -1 3 402.516 3.884 50 0 HHAAHM C[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1ccccc1F ZINC000040144939 571195070 /nfs/dbraw/zinc/19/50/70/571195070.db2.gz ZNRWQNAJCMOPHZ-GFCCVEGCSA-N -1 3 405.426 3.585 50 0 HHAAHM O=C(c1ccc(CSc2nc3ccccc3[nH]2)cc1)N1NC=C[C@@]1([O-])C(F)(F)F ZINC000009165138 571232472 /nfs/dbraw/zinc/23/24/72/571232472.db2.gz WTAIXLPMUICIRU-GOSISDBHSA-N -1 3 420.416 3.938 50 0 HHAAHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)N1CCCCCC1 ZINC000009426728 571257823 /nfs/dbraw/zinc/25/78/23/571257823.db2.gz MCHJJHUYVLALEN-UHFFFAOYSA-N -1 3 420.506 3.716 50 0 HHAAHM COc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)cn1 ZINC000009508175 571263794 /nfs/dbraw/zinc/26/37/94/571263794.db2.gz KVQHNMISWCFQDD-UHFFFAOYSA-N -1 3 417.874 3.797 50 0 HHAAHM COc1cccc(OCCCSc2nc(-c3ccc(C)cc3)nc3cc(=O)[n-]n32)c1 ZINC000009640698 571275773 /nfs/dbraw/zinc/27/57/73/571275773.db2.gz LTVZMQVZBGPFGX-UHFFFAOYSA-N -1 3 422.510 3.963 50 0 HHAAHM CCN1CCOc2ccc([N-]S(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2C1=O ZINC000009828200 571286800 /nfs/dbraw/zinc/28/68/00/571286800.db2.gz UCBNIJGCVJPJQN-UHFFFAOYSA-N -1 3 402.516 3.576 50 0 HHAAHM CS(=O)(=O)c1ccc([C@@H]2CC(=O)Nc3c2c(=O)[n-]n3C2CCCCCC2)cc1 ZINC000071280149 571290517 /nfs/dbraw/zinc/29/05/17/571290517.db2.gz UOOGVQQMGBJSIB-INIZCTEOSA-N -1 3 403.504 3.599 50 0 HHAAHM CC(C)c1ccc(NC(=O)CSc2nc3c(nc[n-]c3=O)n2-c2ccccc2)cc1 ZINC000020550308 519837113 /nfs/dbraw/zinc/83/71/13/519837113.db2.gz LADZAITZWDOXSX-UHFFFAOYSA-N -1 3 419.510 3.963 50 0 HHAAHM CCCN1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(Cl)cc2)CC1 ZINC000032946652 519860276 /nfs/dbraw/zinc/86/02/76/519860276.db2.gz YWYUQXPSMQOHSM-UHFFFAOYSA-N -1 3 401.894 3.823 50 0 HHAAHM COc1ccccc1-c1nc(NC(=O)c2cnc(SC)n2-c2ccccc2)n[n-]1 ZINC000032913569 524281481 /nfs/dbraw/zinc/28/14/81/524281481.db2.gz XZEMIDIKMJMIDC-UHFFFAOYSA-N -1 3 406.471 3.640 50 0 HHAAHM CC(=O)N1CCSc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)cc21 ZINC000006892673 534803595 /nfs/dbraw/zinc/80/35/95/534803595.db2.gz RPWRDIFQLBIWSS-UHFFFAOYSA-N -1 3 400.884 3.739 50 0 HHAAHM O=C([O-])[C@H](c1c[nH]c2ccccc21)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000032105058 526315715 /nfs/dbraw/zinc/31/57/15/526315715.db2.gz ZJVPXEYMODRTJV-NRFANRHFSA-N -1 3 413.905 3.644 50 0 HHAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC(C)C)cc1 ZINC000008840846 535401288 /nfs/dbraw/zinc/40/12/88/535401288.db2.gz PZUFJNVJHOGKLI-UHFFFAOYSA-N -1 3 402.516 3.821 50 0 HHAAHM Cc1onc(-c2ccccc2)c1C[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000001025382 557144984 /nfs/dbraw/zinc/14/49/84/557144984.db2.gz MBQLHGOXZJLWOG-UHFFFAOYSA-N -1 3 407.289 3.891 50 0 HHAAHM CCOc1cc(/C=c2/sc3nc4cc(C)c(C)cc4n3c2=O)cc(Cl)c1[O-] ZINC000001063199 557164989 /nfs/dbraw/zinc/16/49/89/557164989.db2.gz INGZALNDAUQEQL-RQZCQDPDSA-N -1 3 400.887 3.831 50 0 HHAAHM Cc1cc(Cl)ccc1OCC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000002875465 557416815 /nfs/dbraw/zinc/41/68/15/557416815.db2.gz REIWVSHCEYAASJ-UHFFFAOYSA-N -1 3 410.742 3.830 50 0 HHAAHM Cc1c([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(=O)n(-c2ccccc2)n1C ZINC000002882086 557420078 /nfs/dbraw/zinc/42/00/78/557420078.db2.gz UCJFEXBWWDSKEA-UHFFFAOYSA-N -1 3 412.298 3.592 50 0 HHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1 ZINC000002884755 557421502 /nfs/dbraw/zinc/42/15/02/557421502.db2.gz KZNDKHGRFGAEBA-UHFFFAOYSA-N -1 3 402.516 3.624 50 0 HHAAHM CCOC(=O)N[C@@]([N-]c1ccc(C(F)(F)F)cc1)(C(=O)OCC)C(F)(F)F ZINC000003138063 557450443 /nfs/dbraw/zinc/45/04/43/557450443.db2.gz ZHKOIANNPXJIDB-ZDUSSCGKSA-N -1 3 402.291 3.685 50 0 HHAAHM O=S(=O)([N-]CCOC12CC3CC(CC(C3)C1)C2)c1ccc(Br)s1 ZINC000004751254 557592882 /nfs/dbraw/zinc/59/28/82/557592882.db2.gz IXXFSTPRQJCHJA-UHFFFAOYSA-N -1 3 420.394 3.774 50 0 HHAAHM COCCN1c2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2CCC1=O ZINC000022688551 557779541 /nfs/dbraw/zinc/77/95/41/557779541.db2.gz OIDYZTGYNMKQPJ-UHFFFAOYSA-N -1 3 402.516 3.536 50 0 HHAAHM O=S(=O)([N-]C[C@@H](c1ccsc1)N1CCc2ccccc2C1)c1cccs1 ZINC000022767432 557815322 /nfs/dbraw/zinc/81/53/22/557815322.db2.gz SQVJALKGLAOSTP-SFHVURJKSA-N -1 3 404.582 3.888 50 0 HHAAHM O=S(=O)([N-]C[C@H](c1ccsc1)N1CCc2ccccc2C1)c1cccs1 ZINC000022767429 557815341 /nfs/dbraw/zinc/81/53/41/557815341.db2.gz SQVJALKGLAOSTP-GOSISDBHSA-N -1 3 404.582 3.888 50 0 HHAAHM CN(Cc1ccc2c(c1)OCCO2)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000023908042 558580912 /nfs/dbraw/zinc/58/09/12/558580912.db2.gz YGVZAZVBGQISJO-UHFFFAOYSA-N -1 3 409.467 3.648 50 0 HHAAHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1 ZINC000024031165 558585309 /nfs/dbraw/zinc/58/53/09/558585309.db2.gz WETUKGFRRPOYON-UHFFFAOYSA-N -1 3 415.496 3.624 50 0 HHAAHM CCOc1ccc(C(=O)O[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cc1OC ZINC000004492665 558609984 /nfs/dbraw/zinc/60/99/84/558609984.db2.gz KXOOLPYTXAKURQ-NSHDSACASA-N -1 3 402.472 3.927 50 0 HHAAHM C[C@H](Sc1nccn1-c1ccccc1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000026128063 558656179 /nfs/dbraw/zinc/65/61/79/558656179.db2.gz NUBSYGXCYUHAKW-AWEZNQCLSA-N -1 3 401.513 3.607 50 0 HHAAHM CCOC(=O)[C@@]([N-]c1ccc(F)cc1)(NC(=O)c1ccccc1F)C(F)(F)F ZINC000003103248 558749746 /nfs/dbraw/zinc/74/97/46/558749746.db2.gz QVIWAPFAVUUKJK-QGZVFWFLSA-N -1 3 402.319 3.628 50 0 HHAAHM COc1cc(CN2CCN(c3ccc(C(C)=O)cc3)CC2)cc(Br)c1[O-] ZINC000071928251 558782260 /nfs/dbraw/zinc/78/22/60/558782260.db2.gz PYDMUNNLXBPERF-UHFFFAOYSA-N -1 3 419.319 3.688 50 0 HHAAHM CCCCCCOC(=O)c1ccccc1NC(=O)c1c([O-])c2c([nH]c1=O)CCCC2 ZINC000017124738 558823312 /nfs/dbraw/zinc/82/33/12/558823312.db2.gz JOMCWJNKKVHNNT-UHFFFAOYSA-N -1 3 412.486 3.949 50 0 HHAAHM COc1ccc(CCNc2[n-]c(=S)nc3cc(OC)c(OC)cc32)cc1OC ZINC000013660110 558851467 /nfs/dbraw/zinc/85/14/67/558851467.db2.gz DYTAHBUVIBYELU-UHFFFAOYSA-N -1 3 401.488 3.981 50 0 HHAAHM CC(C)c1nc2cc(NC(=O)C[N-]S(=O)(=O)c3ccc(Cl)s3)ccc2o1 ZINC000060338361 558851915 /nfs/dbraw/zinc/85/19/15/558851915.db2.gz ZTXHUVPYJIOAHW-UHFFFAOYSA-N -1 3 413.908 3.583 50 0 HHAAHM CCOc1c(C)cc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C2CC2)CC3)cc1C ZINC000013696998 558856480 /nfs/dbraw/zinc/85/64/80/558856480.db2.gz AJJUEBSJPHCCEA-UHFFFAOYSA-N -1 3 414.527 3.802 50 0 HHAAHM O=C([N-]c1ccc(F)cc1F)c1nnc(C2CCN(C(=O)C3CCC3)CC2)s1 ZINC000033114020 558875924 /nfs/dbraw/zinc/87/59/24/558875924.db2.gz FCSATQQVQHBOEN-UHFFFAOYSA-N -1 3 406.458 3.575 50 0 HHAAHM O=C(C(=C([O-])c1ccccc1)n1cc(Cl)ccc1=O)N1CCc2ccccc2C1 ZINC000004680012 558891191 /nfs/dbraw/zinc/89/11/91/558891191.db2.gz YAYNKKFQGBKOCK-OAQYLSRUSA-N -1 3 406.869 3.511 50 0 HHAAHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(C)Cc3ccc(OC)cc3)nc(=O)c2c1C ZINC000058172388 558908280 /nfs/dbraw/zinc/90/82/80/558908280.db2.gz WOAWLGZUECRSFJ-CYBMUJFWSA-N -1 3 415.515 3.671 50 0 HHAAHM O=S(=O)([N-]c1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC000063156398 558957943 /nfs/dbraw/zinc/95/79/43/558957943.db2.gz PUTZGWCMXULJNM-UHFFFAOYSA-N -1 3 407.539 3.810 50 0 HHAAHM CCOc1cc(Br)c(Br)c(C=C2SC(=O)[N-]C2=O)c1O ZINC000033319843 559057436 /nfs/dbraw/zinc/05/74/36/559057436.db2.gz HEYOLJXSPBPLRJ-BAQGIRSFSA-N -1 3 423.082 3.640 50 0 HHAAHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)NC1CCCCC1 ZINC000004778227 559061275 /nfs/dbraw/zinc/06/12/75/559061275.db2.gz BMAAGKCACXPOKA-UHFFFAOYSA-N -1 3 422.934 3.969 50 0 HHAAHM Cc1ccccc1OCc1nc(SCC(=O)c2ccc(N3CCCC3=O)cc2)n[n-]1 ZINC000014196766 559155831 /nfs/dbraw/zinc/15/58/31/559155831.db2.gz KGSFDSDLIPQVFU-UHFFFAOYSA-N -1 3 422.510 3.794 50 0 HHAAHM O=c1nc(CSc2nnnn2Cc2ccco2)[n-]c2scc(-c3ccccc3)c21 ZINC000011676028 559172628 /nfs/dbraw/zinc/17/26/28/559172628.db2.gz OTGMRTZQGXVTES-UHFFFAOYSA-N -1 3 422.495 3.572 50 0 HHAAHM CCOC(=O)C(Sc1nn(CCOc2ccc(C)cc2)c(=S)s1)=C(C)[O-] ZINC000005047409 559236941 /nfs/dbraw/zinc/23/69/41/559236941.db2.gz QUSYPMYGEYYNMF-CQSZACIVSA-N -1 3 412.558 3.674 50 0 HHAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1cccc(O)c1 ZINC000136642634 559277938 /nfs/dbraw/zinc/27/79/38/559277938.db2.gz IGUTXHYMHKWJIM-PWRODBHTSA-N -1 3 404.397 3.582 50 0 HHAAHM COc1ccc(C(=O)[N-]n2c(=O)c3ccccc3nc2-c2cccs2)c(OC)c1 ZINC000005205933 560539362 /nfs/dbraw/zinc/53/93/62/560539362.db2.gz KHTLKEINCLEPFN-UHFFFAOYSA-N -1 3 407.451 3.526 50 0 HHAAHM CCOC(=O)[C@@]([O-])(c1ccc(N(CC)C(=O)c2ccc(F)cc2)cc1)C(F)(F)F ZINC000003150587 560746742 /nfs/dbraw/zinc/74/67/42/560746742.db2.gz AFEBBJHRJWBRGJ-IBGZPJMESA-N -1 3 413.367 3.805 50 0 HHAAHM CCOC(=O)C1=C(C)Nc2[n-]n(-c3ccccc3)c(=O)c2[C@H]1c1ccc(OC)cc1 ZINC000018195371 560782356 /nfs/dbraw/zinc/78/23/56/560782356.db2.gz ZDIYGMIMZXOLRF-IBGZPJMESA-N -1 3 405.454 3.569 50 0 HHAAHM CC(=O)c1[n-]n(-c2cccc(Cl)c2C)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000018203103 560783946 /nfs/dbraw/zinc/78/39/46/560783946.db2.gz GTYSYUNTCAFDQD-AEFFLSMTSA-N -1 3 416.264 3.625 50 0 HHAAHM Cc1ccc(Cl)cc1NCc1cc(=O)n2nc(NCc3cccs3)[n-]c2n1 ZINC000101797116 560801888 /nfs/dbraw/zinc/80/18/88/560801888.db2.gz PXALSFMUFMWAMC-UHFFFAOYSA-N -1 3 400.895 3.665 50 0 HHAAHM COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102706413 560820672 /nfs/dbraw/zinc/82/06/72/560820672.db2.gz XIRGTAFIESYEAK-BHDDXSALSA-N -1 3 418.424 3.885 50 0 HHAAHM Cc1nn(-c2ccccc2)c2sc(C(=O)N3NC(C)=C[C@]3([O-])C(F)(F)F)cc12 ZINC000005751502 560883618 /nfs/dbraw/zinc/88/36/18/560883618.db2.gz BVIXYJOLFBWZTA-KRWDZBQOSA-N -1 3 408.405 3.868 50 0 HHAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC)c(-c3nc(CC)no3)c2)cc1 ZINC000046020132 568423869 /nfs/dbraw/zinc/42/38/69/568423869.db2.gz NLDWAFUYAOCBKC-UHFFFAOYSA-N -1 3 417.487 3.897 50 0 HHAAHM CCCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(Cl)ccc1C)CC(=O)N2 ZINC000046074260 568426710 /nfs/dbraw/zinc/42/67/10/568426710.db2.gz CZJNJIRQKNETHP-LBPRGKRZSA-N -1 3 420.922 3.688 50 0 HHAAHM CCCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(Cl)ccc1C)CC(=O)N2 ZINC000046074263 568426811 /nfs/dbraw/zinc/42/68/11/568426811.db2.gz CZJNJIRQKNETHP-GFCCVEGCSA-N -1 3 420.922 3.688 50 0 HHAAHM O=C([N-]c1ccccc1F)c1nnc(C2CCN(C(=O)c3ccco3)CC2)s1 ZINC000033114017 568511574 /nfs/dbraw/zinc/51/15/74/568511574.db2.gz JCUXFTWCJSDFCO-UHFFFAOYSA-N -1 3 400.435 3.542 50 0 HHAAHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1sc(-n2cccc2)nc1-c1ccccc1 ZINC000095475769 568630062 /nfs/dbraw/zinc/63/00/62/568630062.db2.gz ROVZRJCMCYUVJE-UHFFFAOYSA-N -1 3 404.377 3.990 50 0 HHAAHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1sc(-n2cccc2)nc1-c1ccccc1 ZINC000095475769 568630063 /nfs/dbraw/zinc/63/00/63/568630063.db2.gz ROVZRJCMCYUVJE-UHFFFAOYSA-N -1 3 404.377 3.990 50 0 HHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccc(OCc3ccccc3Cl)cc2)S1 ZINC000020895538 568648884 /nfs/dbraw/zinc/64/88/84/568648884.db2.gz QBZRPNXOUZEDOS-SFHVURJKSA-N -1 3 403.891 3.920 50 0 HHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccccc2OCCCOc2ccccc2)S1 ZINC000020896211 568649205 /nfs/dbraw/zinc/64/92/05/568649205.db2.gz RAHXLECYTGTPBH-FQEVSTJZSA-N -1 3 413.499 3.536 50 0 HHAAHM Cc1csc2nc(CSc3nnc([N-]C(=O)c4cccs4)s3)cc(=O)n12 ZINC000020984237 568654786 /nfs/dbraw/zinc/65/47/86/568654786.db2.gz JKYDVGJQTVBZAB-UHFFFAOYSA-N -1 3 421.554 3.522 50 0 HHAAHM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]C[C@H](C)c3ccccc3)s2)on1 ZINC000020994851 568656509 /nfs/dbraw/zinc/65/65/09/568656509.db2.gz RAUZZUBIOPGYPQ-ZDUSSCGKSA-N -1 3 420.512 3.662 50 0 HHAAHM Cc1nc(CN(C(=O)C2CCC2)C2CC2)[n-]c(=O)c1Cc1cccc(C(F)(F)F)c1 ZINC000096318006 568676222 /nfs/dbraw/zinc/67/62/22/568676222.db2.gz DMENLSZGPMPZJM-UHFFFAOYSA-N -1 3 419.447 3.979 50 0 HHAAHM COc1ccc(C)cc1NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000021283037 568687021 /nfs/dbraw/zinc/68/70/21/568687021.db2.gz HHUXMQAYXLBLEE-UHFFFAOYSA-N -1 3 421.482 3.569 50 0 HHAAHM COC(=O)C[C@H](c1ccco1)c1oc(CSc2ccc(OC)cc2)cc(=O)c1[O-] ZINC000096116170 568695763 /nfs/dbraw/zinc/69/57/63/568695763.db2.gz QEHPDPUQVFIREV-MRXNPFEDSA-N -1 3 416.451 3.934 50 0 biogenic HHAAHM O=c1[n-]n(C2CCSCC2)c2c1[C@@H](c1ccc3ncccc3c1)SCC(=O)N2 ZINC000096118419 568698208 /nfs/dbraw/zinc/69/82/08/568698208.db2.gz GSGDZFFUQSRWQI-GOSISDBHSA-N -1 3 412.540 3.980 50 0 HHAAHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2cc(C)c(Cl)cc2Cl)OCCO)cc1 ZINC000096338117 568736775 /nfs/dbraw/zinc/73/67/75/568736775.db2.gz USTNIZOXVYOWTG-KRWDZBQOSA-N -1 3 418.342 3.639 50 0 HHAAHM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)OCc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000018747221 568739146 /nfs/dbraw/zinc/73/91/46/568739146.db2.gz ULJSEGWGOSCDSH-FQEVSTJZSA-N -1 3 419.433 3.814 50 0 HHAAHM Cc1ccc(-c2nc(CN3CCC[C@H](C(=O)Nc4ccc(C)cc4[O-])C3)no2)cc1 ZINC000021724703 568751429 /nfs/dbraw/zinc/75/14/29/568751429.db2.gz KWZDNMBZSJLICK-SFHVURJKSA-N -1 3 406.486 3.910 50 0 HHAAHM CN(C)S(=O)(=O)c1cccc(CSc2nnc([N-]c3ccccc3F)s2)c1 ZINC000002617653 568786112 /nfs/dbraw/zinc/78/61/12/568786112.db2.gz ADTRJABDGRZXDW-UHFFFAOYSA-N -1 3 424.548 3.963 50 0 HHAAHM O=S(=O)([N-]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1c(Cl)cccc1Cl ZINC000057101795 568824183 /nfs/dbraw/zinc/82/41/83/568824183.db2.gz JFSWTBVEYYMHTO-LBPRGKRZSA-N -1 3 403.306 3.937 50 0 HHAAHM Cc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]Cc2cccs2)c1 ZINC000003021862 568840431 /nfs/dbraw/zinc/84/04/31/568840431.db2.gz IPWLFJUFHVAHBV-UHFFFAOYSA-N -1 3 404.488 3.926 50 0 HHAAHM CCN(C(=O)c1ccc(Cl)cc1)c1ccc([C@]([O-])(C(=O)OC)C(F)(F)F)cc1 ZINC000003028257 568841837 /nfs/dbraw/zinc/84/18/37/568841837.db2.gz HPINVLBZZZIAHQ-SFHVURJKSA-N -1 3 415.795 3.930 50 0 HHAAHM C[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)Nc1ccc(Cl)cc1F ZINC000029896399 568847161 /nfs/dbraw/zinc/84/71/61/568847161.db2.gz MPIZMWVRZLHHMP-SECBINFHSA-N -1 3 424.803 3.803 50 0 HHAAHM [O-]C(c1ccccc1)=C1[C@H](c2ccccc2Cl)NC(=S)N[C@]1(O)C(F)(F)F ZINC000057531359 568852142 /nfs/dbraw/zinc/85/21/42/568852142.db2.gz LNUKCRPQJUXJEG-GRDNDAEWSA-N -1 3 414.836 3.609 50 0 HHAAHM [O-]C(c1ccccc1)=C1[C@@H](c2ccccc2Cl)NC(=S)N[C@]1(O)C(F)(F)F ZINC000057531361 568852155 /nfs/dbraw/zinc/85/21/55/568852155.db2.gz LNUKCRPQJUXJEG-JJRVBVJISA-N -1 3 414.836 3.609 50 0 HHAAHM CN(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccc1 ZINC000012557173 568856124 /nfs/dbraw/zinc/85/61/24/568856124.db2.gz LCJPAFOVKNWAJJ-QFIPXVFZSA-N -1 3 423.538 3.520 50 0 HHAAHM CSc1ncccc1C(=O)OCc1nc(=O)c2c3c(sc2[n-]1)C[C@@H](C)CC3 ZINC000003371055 568857661 /nfs/dbraw/zinc/85/76/61/568857661.db2.gz BEKGIUZIBQTMBF-JTQLQIEISA-N -1 3 401.513 3.583 50 0 HHAAHM COc1ccc2nc([N-]C(=O)c3cc4c(nc5ccccn5c4=O)s3)sc2c1 ZINC000003214296 568862353 /nfs/dbraw/zinc/86/23/53/568862353.db2.gz WFRSOMYZDNCBIK-UHFFFAOYSA-N -1 3 408.464 3.780 50 0 HHAAHM Cc1cc(C)n2nc(C(=O)[N-]c3ncc(Cc4ccc(F)c(Cl)c4)s3)nc2n1 ZINC000031030815 568909865 /nfs/dbraw/zinc/90/98/65/568909865.db2.gz DJKRWJZFOYTFMF-UHFFFAOYSA-N -1 3 416.869 3.833 50 0 HHAAHM C[C@H](NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl)c1ccccc1 ZINC000001431918 568940660 /nfs/dbraw/zinc/94/06/60/568940660.db2.gz ANJXJEHJCAUIIC-NSHDSACASA-N -1 3 413.326 3.925 50 0 HHAAHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000012758834 568943572 /nfs/dbraw/zinc/94/35/72/568943572.db2.gz NABCEIFTEDBYBM-UHFFFAOYSA-N -1 3 414.487 3.604 50 0 HHAAHM O=C(OCc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)c1n[nH]c2ccccc21 ZINC000008216717 568983078 /nfs/dbraw/zinc/98/30/78/568983078.db2.gz XTZMDKILQHBLQH-UHFFFAOYSA-N -1 3 402.435 3.885 50 0 HHAAHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCCC1=CCCCC1 ZINC000008243107 568984935 /nfs/dbraw/zinc/98/49/35/568984935.db2.gz GCZALHSXIVTQML-GFCCVEGCSA-N -1 3 405.347 3.667 50 0 HHAAHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1OC ZINC000012817451 568989709 /nfs/dbraw/zinc/98/97/09/568989709.db2.gz AAHLGOAEHPANCP-UHFFFAOYSA-N -1 3 423.840 3.897 50 0 HHAAHM COc1ccc(CCn2c(C)cc(C(=O)COC(=O)c3ccc([O-])cc3O)c2C)cc1 ZINC000006080907 568995774 /nfs/dbraw/zinc/99/57/74/568995774.db2.gz UHGIPMLIULHFQB-UHFFFAOYSA-N -1 3 423.465 3.807 50 0 HHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cccc(OC(=O)c3ccccc3Cl)c2)S1 ZINC000015833044 569012834 /nfs/dbraw/zinc/01/28/34/569012834.db2.gz IRFLAZSRNGHNFI-KRWDZBQOSA-N -1 3 417.874 3.560 50 0 HHAAHM Cc1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)cc1C ZINC000015865789 569016697 /nfs/dbraw/zinc/01/66/97/569016697.db2.gz SRVVYBGTBKVLQQ-IBGZPJMESA-N -1 3 414.552 3.893 50 0 HHAAHM Cc1nc(Nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc(-n2ccnc2)n1 ZINC000035598177 569045834 /nfs/dbraw/zinc/04/58/34/569045834.db2.gz CREUNVSBWGRRNX-UHFFFAOYSA-N -1 3 424.461 3.654 50 0 HHAAHM CCOC(=O)c1c(C)c(C(=O)OC)sc1[N-]C(=O)c1ccc(Br)o1 ZINC000001098938 569060268 /nfs/dbraw/zinc/06/02/68/569060268.db2.gz KYFMEHJLNDZJSA-UHFFFAOYSA-N -1 3 416.249 3.628 50 0 HHAAHM Cc1cc(OCc2ccc(C(=O)N3NC=C[C@]3([O-])C(F)(F)F)o2)ccc1Cl ZINC000006527805 569063175 /nfs/dbraw/zinc/06/31/75/569063175.db2.gz SEOWDNKQWJCNNS-INIZCTEOSA-N -1 3 402.756 3.903 50 0 HHAAHM CC[C@H](C)N1Cc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2OCC1=O ZINC000035887170 569064693 /nfs/dbraw/zinc/06/46/93/569064693.db2.gz WXXRKSFCIWVCNG-ZDUSSCGKSA-N -1 3 408.907 3.660 50 0 HHAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)NCc3c(F)cccc3Cl)cc2O1 ZINC000006670225 569086746 /nfs/dbraw/zinc/08/67/46/569086746.db2.gz ZYVNDRVPCKDRJE-UHFFFAOYSA-N -1 3 407.825 3.624 50 0 HHAAHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCC2)cc1 ZINC000064861966 569110563 /nfs/dbraw/zinc/11/05/63/569110563.db2.gz KYGIBQCMWVNBAS-UHFFFAOYSA-N -1 3 415.515 3.511 50 0 HHAAHM COc1cccc(-c2nc3cc(=O)[n-]n3c(SCCOc3ccccc3C)n2)c1 ZINC000006915772 569180994 /nfs/dbraw/zinc/18/09/94/569180994.db2.gz FBYPSXPRMLMHLC-UHFFFAOYSA-N -1 3 408.483 3.573 50 0 HHAAHM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)c2ncccc2O3)cc1 ZINC000065241551 569201791 /nfs/dbraw/zinc/20/17/91/569201791.db2.gz MJIVAUHMTYHZQG-UHFFFAOYSA-N -1 3 409.467 3.827 50 0 HHAAHM COc1ccc(-c2nc3c(c(=O)[n-]2)CCN(C(=O)Nc2ccccc2Cl)C3)cc1 ZINC000065260318 569209678 /nfs/dbraw/zinc/20/96/78/569209678.db2.gz GKXRYFDPYGGAJN-UHFFFAOYSA-N -1 3 410.861 3.689 50 0 HHAAHM O=C(CCC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)NC1CCCCCC1 ZINC000007061908 569216979 /nfs/dbraw/zinc/21/69/79/569216979.db2.gz IEPUAIWOMMOVOY-UHFFFAOYSA-N -1 3 407.363 3.891 50 0 HHAAHM COc1ccc(NC(=O)C[C@H](c2ccc(Cl)cc2)n2cccc2)cc1-c1nnn[n-]1 ZINC000524732830 569212814 /nfs/dbraw/zinc/21/28/14/569212814.db2.gz RPPKWWZZJKBYJU-GOSISDBHSA-N -1 3 422.876 3.948 50 0 HHAAHM COc1ccc(NC(=O)C[C@H](c2ccc(Cl)cc2)n2cccc2)cc1-c1nn[n-]n1 ZINC000524732830 569212815 /nfs/dbraw/zinc/21/28/15/569212815.db2.gz RPPKWWZZJKBYJU-GOSISDBHSA-N -1 3 422.876 3.948 50 0 HHAAHM O=S(=O)([N-]CCOc1ccccc1F)c1ccc(Br)cc1Cl ZINC000007215867 569229008 /nfs/dbraw/zinc/22/90/08/569229008.db2.gz TVPNFXHWZOFVPE-UHFFFAOYSA-N -1 3 408.676 3.599 50 0 HHAAHM O=c1[n-]nc(SCc2cc(Cl)cc3c2OCOC3)n1CCc1ccccc1 ZINC000007346398 569234692 /nfs/dbraw/zinc/23/46/92/569234692.db2.gz SYCKQWPDJMAEIC-UHFFFAOYSA-N -1 3 403.891 3.626 50 0 HHAAHM C[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccc(Br)cc1)N2 ZINC000251706219 569260468 /nfs/dbraw/zinc/26/04/68/569260468.db2.gz HXBUOUMGFKNLJN-MURWCNHISA-N -1 3 405.214 3.948 50 0 HHAAHM Cc1cc(C)cc(-n2c(O)c([C@H]3NCCc4c5ccccc5[nH]c43)c(=O)[n-]c2=S)c1 ZINC000009109235 569391533 /nfs/dbraw/zinc/39/15/33/569391533.db2.gz DFRAKKUHVVGWDS-HXUWFJFHSA-N -1 3 418.522 3.934 50 0 biogenic HHAAHM Cc1ccn(-c2ccc(Nc3ccc([N-]S(=O)(=O)c4cccc(C)c4)cc3)nn2)n1 ZINC000013010005 569407199 /nfs/dbraw/zinc/40/71/99/569407199.db2.gz FKBSWWZQHTWGKW-UHFFFAOYSA-N -1 3 420.498 3.824 50 0 HHAAHM CN(CCOc1ccccc1)C(=O)c1c[n-]c2c(F)cc(Br)cc2c1=O ZINC000078808988 569420569 /nfs/dbraw/zinc/42/05/69/569420569.db2.gz BKJNNQYFKZDZNZ-UHFFFAOYSA-N -1 3 419.250 3.993 50 0 HHAAHM CN(CCOc1ccccc1)C(=O)c1cnc2c(F)cc(Br)cc2c1[O-] ZINC000078808988 569420571 /nfs/dbraw/zinc/42/05/71/569420571.db2.gz BKJNNQYFKZDZNZ-UHFFFAOYSA-N -1 3 419.250 3.993 50 0 HHAAHM CCCN1CCc2nc(SCC(=O)Nc3c(C)cccc3CC)[n-]c(=O)c2C1 ZINC000067291797 571068399 /nfs/dbraw/zinc/06/83/99/571068399.db2.gz GDGKJTDHQREJKT-UHFFFAOYSA-N -1 3 400.548 3.552 50 0 HHAAHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1 ZINC000008610045 571094130 /nfs/dbraw/zinc/09/41/30/571094130.db2.gz UJDMQISUHJFSJP-UHFFFAOYSA-N -1 3 424.526 3.943 50 0 aggregator HHAAHM CCCCN1c2ccc([N-]S(=O)(=O)c3ccc(OC)c(C)c3)cc2CCC1=O ZINC000008840740 571123809 /nfs/dbraw/zinc/12/38/09/571123809.db2.gz LRCNIVAZWLDDEF-UHFFFAOYSA-N -1 3 402.516 3.884 50 0 HHAAHM O=C([N-]c1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1cn(-c2ccccc2)nn1 ZINC000040073512 571153753 /nfs/dbraw/zinc/15/37/53/571153753.db2.gz VTOBIFPZIGWLOV-UHFFFAOYSA-N -1 3 406.515 3.839 50 0 HHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)c2ccccc2O3)cc1 ZINC000008961034 571189433 /nfs/dbraw/zinc/18/94/33/571189433.db2.gz UPABCKLWJPYRFA-UHFFFAOYSA-N -1 3 410.451 3.878 50 0 HHAAHM Cc1cc([O-])c(-c2n[nH]c3c2[C@H](c2cccc(Cl)c2)N(CCO)C3=O)cc1Cl ZINC000009124491 571225931 /nfs/dbraw/zinc/22/59/31/571225931.db2.gz YGAZTPZEWUTBLD-IBGZPJMESA-N -1 3 418.280 3.935 50 0 HHAAHM CCN1c2cc([N-]S(=O)(=O)c3ccc(OC)c(C)c3)ccc2OCC(C)(C)C1=O ZINC000009170567 571233637 /nfs/dbraw/zinc/23/36/37/571233637.db2.gz FPJWLYTXWSQIGP-UHFFFAOYSA-N -1 3 418.515 3.576 50 0 HHAAHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1 ZINC000009170247 571233654 /nfs/dbraw/zinc/23/36/54/571233654.db2.gz YBJKDSQPMSBXMR-UHFFFAOYSA-N -1 3 418.515 3.658 50 0 HHAAHM CCN1c2cc([N-]S(=O)(=O)c3ccc(OC)cc3C)ccc2OCC(C)(C)C1=O ZINC000009170812 571233799 /nfs/dbraw/zinc/23/37/99/571233799.db2.gz FXWJSSRRSLCFBL-UHFFFAOYSA-N -1 3 418.515 3.576 50 0 HHAAHM CCn1c(SCC(=O)Nc2ccc3[nH]c(C)nc3c2)nnc1-c1ccccc1[O-] ZINC000009187515 571235096 /nfs/dbraw/zinc/23/50/96/571235096.db2.gz CVSCQTDCQCRQHQ-UHFFFAOYSA-N -1 3 408.487 3.586 50 0 HHAAHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)NCCc1ccccc1 ZINC000009356490 571251268 /nfs/dbraw/zinc/25/12/68/571251268.db2.gz RXDAFIVMEHMGOV-UHFFFAOYSA-N -1 3 424.522 3.534 50 0 HHAAHM O=C(c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1)N1CCC[C@H]1c1ccccc1 ZINC000009957304 571291625 /nfs/dbraw/zinc/29/16/25/571291625.db2.gz QZAVSNRACLJYNV-SFHVURJKSA-N -1 3 404.919 3.758 50 0 HHAAHM CC(C)[C@H](NC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1)c1ccccc1 ZINC000010493883 571303742 /nfs/dbraw/zinc/30/37/42/571303742.db2.gz WHDVWIPWFHOMLO-IBGZPJMESA-N -1 3 421.588 3.598 50 0 HHAAHM O=C(Nc1nc2ccc(Br)cc2s1)c1c(=O)[nH]c2c(c1[O-])CCCC2 ZINC000002322312 571307913 /nfs/dbraw/zinc/30/79/13/571307913.db2.gz DFYJKNLGTWBVEE-UHFFFAOYSA-N -1 3 420.288 3.584 50 0 HHAAHM CCOC(=O)N=c1[n-]c2c(s1)CN(C(=O)c1ccccc1Br)CC2 ZINC000077196331 571312418 /nfs/dbraw/zinc/31/24/18/571312418.db2.gz LGIOFWXELHDDIE-UHFFFAOYSA-N -1 3 410.293 3.673 50 0 HHAAHM O=C([O-])c1cc(N2CCN(C3CCCCC3)CC2)nc2ccc(NC(=O)C3CC3)cc21 ZINC000033260826 571316008 /nfs/dbraw/zinc/31/60/08/571316008.db2.gz KROSBBMPHUWBNJ-UHFFFAOYSA-N -1 3 422.529 3.736 50 0 HHAAHM CCOc1cc(C(=O)CCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)ccc1[O-] ZINC000025638356 964321742 /nfs/dbraw/zinc/32/17/42/964321742.db2.gz NPEVBFILXUPCLU-RMKNXTFCSA-N -1 3 422.525 3.611 50 0 HHAAHM O=S(=O)(/C=C\c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000096731674 969050088 /nfs/dbraw/zinc/05/00/88/969050088.db2.gz RHGLCOHMZQWAMR-NXVVXOECSA-N -1 3 414.508 3.900 50 0 HHAAHM O=C(COc1ccc(Cl)cc1Cl)NN=Cc1cc(Br)ccc1[O-] ZINC000254513618 970574135 /nfs/dbraw/zinc/57/41/35/970574135.db2.gz GQMXPWCMZUYMRP-UHFFFAOYSA-N -1 3 418.074 3.991 50 0 HHAAHM [O-]C(c1ccccc1)=C1[C@H](c2ccccc2Cl)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000226355825 526796745 /nfs/dbraw/zinc/79/67/45/526796745.db2.gz LNUKCRPQJUXJEG-ZQIUZPCESA-N -1 3 414.836 3.609 50 0 HHAAHM Cn1c(=O)[n-]nc1S[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000040161938 527022099 /nfs/dbraw/zinc/02/20/99/527022099.db2.gz OFLWYWURMAFJNU-AWEZNQCLSA-N -1 3 408.405 3.599 50 0 HHAAHM O=S(=O)([N-]c1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccc(Br)cc1 ZINC000044922270 527252142 /nfs/dbraw/zinc/25/21/42/527252142.db2.gz GINRFSMZBZRVFK-INIZCTEOSA-N -1 3 422.304 3.978 50 0 HHAAHM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)cc1 ZINC000001059056 557162807 /nfs/dbraw/zinc/16/28/07/557162807.db2.gz YIKANVZPYDKBGM-UHFFFAOYSA-N -1 3 407.495 3.600 50 0 HHAAHM Cc1ccc(OCC(=O)Nc2ccc(Oc3ccc4c(c3)C(=O)[N-]C4=O)cc2)cc1C ZINC000001133316 557199628 /nfs/dbraw/zinc/19/96/28/557199628.db2.gz PMGLIXHYCIWPPJ-UHFFFAOYSA-N -1 3 416.433 3.997 50 0 HHAAHM CN(Cc1ccccc1)C(=O)C(=C([O-])c1ccc(F)cc1)n1cc(Cl)ccc1=O ZINC000004680096 557580377 /nfs/dbraw/zinc/58/03/77/557580377.db2.gz NTEDXMITGVZKML-HXUWFJFHSA-N -1 3 412.848 3.723 50 0 HHAAHM CC(C)c1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1 ZINC000005614105 557665325 /nfs/dbraw/zinc/66/53/25/557665325.db2.gz DCXCGORUUGMHBZ-ZWOKBUDYSA-N -1 3 406.404 3.914 50 0 HHAAHM COc1ccccc1OCc1ccc(C(=O)[N-]c2ncn(Cc3ccccc3)n2)o1 ZINC000002796050 557765424 /nfs/dbraw/zinc/76/54/24/557765424.db2.gz NQHKFLHKWOTVQJ-UHFFFAOYSA-N -1 3 404.426 3.759 50 0 HHAAHM CC[C@@H](c1n[n-]c(=S)n1-c1cnn(Cc2ccc(C)cc2)c1)n1cc(Cl)cn1 ZINC000002808772 557767444 /nfs/dbraw/zinc/76/74/44/557767444.db2.gz NFEHTLVFRURJSS-KRWDZBQOSA-N -1 3 413.938 3.959 50 0 HHAAHM C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012795510 558468492 /nfs/dbraw/zinc/46/84/92/558468492.db2.gz RCVBHTHJTHRWRG-CYBMUJFWSA-N -1 3 419.884 3.862 50 0 HHAAHM COc1ccc(Cl)cc1NC(=O)CN(C)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000013038345 558505668 /nfs/dbraw/zinc/50/56/68/558505668.db2.gz PYAJDVBZBJNPFW-UHFFFAOYSA-N -1 3 416.861 3.540 50 0 HHAAHM CN(Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)C[C@H]1COc2ccccc2O1 ZINC000023908559 558581160 /nfs/dbraw/zinc/58/11/60/558581160.db2.gz VMCGRFJVURCEMM-INIZCTEOSA-N -1 3 419.506 3.923 50 0 HHAAHM CC(C)c1nnc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)s1 ZINC000024926304 558620825 /nfs/dbraw/zinc/62/08/25/558620825.db2.gz QJZGNYMAVCWVSN-UHFFFAOYSA-N -1 3 420.491 3.854 50 0 HHAAHM COc1cc(Br)c(S(=O)(=O)[N-]c2ccccc2Cl)cc1OC ZINC000014252776 558650619 /nfs/dbraw/zinc/65/06/19/558650619.db2.gz PISAXWPAZQKBOH-UHFFFAOYSA-N -1 3 406.685 3.921 50 0 HHAAHM CCCN1CCc2nc(SCC(=O)Nc3ccc(C)c(Cl)c3)[n-]c(=O)c2C1 ZINC000015962642 558764175 /nfs/dbraw/zinc/76/41/75/558764175.db2.gz LVCIHPWPCYUVLT-UHFFFAOYSA-N -1 3 406.939 3.643 50 0 HHAAHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CC4)CC3)cc2)cc1 ZINC000033274751 558764665 /nfs/dbraw/zinc/76/46/65/558764665.db2.gz WZFGRKZCFJGUNV-UHFFFAOYSA-N -1 3 412.555 3.996 50 0 HHAAHM CCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2)CC1 ZINC000033274888 558764909 /nfs/dbraw/zinc/76/49/09/558764909.db2.gz WFRRKSHPLSKVIY-UHFFFAOYSA-N -1 3 400.544 3.970 50 0 HHAAHM COc1ccc(OC)c(NCc2cc(I)c([O-])c(OC)c2)c1 ZINC000001229450 558776324 /nfs/dbraw/zinc/77/63/24/558776324.db2.gz DFVZMEZNXAEDQP-UHFFFAOYSA-N -1 3 415.227 3.635 50 0 HHAAHM CSc1ncc(Cl)c(C(=O)[N-]c2nc(C)c(C(=O)OCC(C)C)s2)n1 ZINC000016742460 558804142 /nfs/dbraw/zinc/80/41/42/558804142.db2.gz NOSDNPPIGSEPQL-UHFFFAOYSA-N -1 3 400.913 3.682 50 0 HHAAHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1)c1nc(-c2ccccc2)no1 ZINC000013495405 558809416 /nfs/dbraw/zinc/80/94/16/558809416.db2.gz UWOOQSRXDBMUBM-LLVKDONJSA-N -1 3 408.277 3.539 50 0 HHAAHM CCC(=O)Nc1ccc2nc(N3CCN(C4CCCCC4)CC3)cc(C(=O)[O-])c2c1 ZINC000033010377 558829632 /nfs/dbraw/zinc/82/96/32/558829632.db2.gz RRARGHYDEOQMBT-UHFFFAOYSA-N -1 3 410.518 3.736 50 0 HHAAHM O=C([N-]c1ccccc1F)c1nnc(C2CCN(C(=O)NC3CCCC3)CC2)s1 ZINC000033114132 558875919 /nfs/dbraw/zinc/87/59/19/558875919.db2.gz DUNOMHDGJLQAFJ-UHFFFAOYSA-N -1 3 417.510 3.761 50 0 HHAAHM CCOc1cccc([C@H]2CC(c3ccccc3[N-]S(C)(=O)=O)=NN2C(=O)CC)c1 ZINC000097105742 558994049 /nfs/dbraw/zinc/99/40/49/558994049.db2.gz QITWJLDSJSWJRF-HXUWFJFHSA-N -1 3 415.515 3.545 50 0 HHAAHM CCS(=O)(=O)[N-]c1ccc(-c2noc(/C=C/c3ccc(OC)c(OC)c3)n2)cc1 ZINC000033276349 559036035 /nfs/dbraw/zinc/03/60/35/559036035.db2.gz IEVYIJIVJFKEIB-WUXMJOGZSA-N -1 3 415.471 3.686 50 0 HHAAHM Cc1cccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CN(Cc2ccccc2)CC3)c1 ZINC000033331744 559062480 /nfs/dbraw/zinc/06/24/80/559062480.db2.gz QCKUHYRFSNZDRY-UHFFFAOYSA-N -1 3 420.538 3.780 50 0 HHAAHM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000014101071 559150837 /nfs/dbraw/zinc/15/08/37/559150837.db2.gz NSFSYQOURJYJPN-UHFFFAOYSA-N -1 3 414.358 3.936 50 0 HHAAHM CSCC[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1cccc(Cl)c1C ZINC000004909076 559201246 /nfs/dbraw/zinc/20/12/46/559201246.db2.gz GVBPLWSBNZIMFF-CQSZACIVSA-N -1 3 418.993 3.749 50 0 HHAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(C(C)=O)[C@H](c2ccc(F)cc2Cl)C1 ZINC000408525560 559215495 /nfs/dbraw/zinc/21/54/95/559215495.db2.gz BFFNSQDIXKRBPD-IBGZPJMESA-N -1 3 423.897 3.938 50 0 HHAAHM O=C(NCc1ccccc1F)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000003447809 560595188 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/nfs/dbraw/zinc/53/01/68/558530168.db2.gz GALANZTYFUDXQA-UHFFFAOYSA-N -1 3 411.140 3.752 50 0 HHAAHM COc1ccc(-c2nc(COC(=O)c3cccc([N-]S(C)(=O)=O)c3)cs2)cc1 ZINC000023423785 558557995 /nfs/dbraw/zinc/55/79/95/558557995.db2.gz ALWVSRNOBVQEJF-UHFFFAOYSA-N -1 3 418.496 3.547 50 0 HHAAHM CC(C)[C@H](NC(=O)CN1CCC(C(=O)Nc2ccccc2[O-])CC1)c1ccccc1 ZINC000024829728 558614515 /nfs/dbraw/zinc/61/45/15/558614515.db2.gz YUGGVEWXVWAKAK-QHCPKHFHSA-N -1 3 409.530 3.556 50 0 HHAAHM C[C@H](NCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)c1ccc2c(c1)OCCO2 ZINC000025054007 558629061 /nfs/dbraw/zinc/62/90/61/558629061.db2.gz BJENUGGOEAJBNG-LBPRGKRZSA-N -1 3 409.467 3.867 50 0 HHAAHM Cc1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000014237507 558642227 /nfs/dbraw/zinc/64/22/27/558642227.db2.gz SQDZYSNJLXYXET-UHFFFAOYSA-N -1 3 417.874 3.802 50 0 HHAAHM COC(=O)[C@]([O-])(c1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1)C(F)(F)F ZINC000003082336 558747374 /nfs/dbraw/zinc/74/73/74/558747374.db2.gz ZJWLIVWEUHJNRD-QGZVFWFLSA-N -1 3 401.768 3.540 50 0 HHAAHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)CCN3c4ccccc4CC[C@@H]3C)c2)n1 ZINC000072295151 558747481 /nfs/dbraw/zinc/74/74/81/558747481.db2.gz JNBMZZFZNBYKDD-KRWDZBQOSA-N -1 3 402.498 3.915 50 0 HHAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCC(C)C)CC3)cc2)cc1 ZINC000033274792 558764572 /nfs/dbraw/zinc/76/45/72/558764572.db2.gz TXHSIMCKMBJODR-UHFFFAOYSA-N -1 3 416.543 3.690 50 0 HHAAHM O=C1[N-]C(=O)[C@H](Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)N1 ZINC000071770830 558808312 /nfs/dbraw/zinc/80/83/12/558808312.db2.gz XVNZNIIVZXQZBX-FQEVSTJZSA-N -1 3 402.450 3.595 50 0 HHAAHM O=C([N-]c1ccc(F)cc1F)c1nc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000033088448 558870401 /nfs/dbraw/zinc/87/04/01/558870401.db2.gz MSKFSZFYCYVTNP-UHFFFAOYSA-N -1 3 409.274 3.934 50 0 HHAAHM CCOC(=O)c1sc2[n-]c([C@H](C)N(C)Cc3ccc(OC)cc3)nc(=O)c2c1C ZINC000058172389 558908310 /nfs/dbraw/zinc/90/83/10/558908310.db2.gz WOAWLGZUECRSFJ-ZDUSSCGKSA-N -1 3 415.515 3.671 50 0 HHAAHM O=C([N-]O[C@H]1CCCCO1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000058418849 558925706 /nfs/dbraw/zinc/92/57/06/558925706.db2.gz APVBQRGZAZUBIO-AWEZNQCLSA-N -1 3 407.820 3.545 50 0 HHAAHM Cc1c(C(=O)NC2CCCCC2)sc2[n-]c(=O)n(-c3ccc(Cl)cc3)c(=O)c12 ZINC000004793112 559065843 /nfs/dbraw/zinc/06/58/43/559065843.db2.gz SVMJXKOUPZAOIA-UHFFFAOYSA-N -1 3 417.918 3.765 50 0 HHAAHM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(N(CC)CC)cc3C)ccc21 ZINC000004884535 559196615 /nfs/dbraw/zinc/19/66/15/559196615.db2.gz OPODXSSTAGIAMN-UHFFFAOYSA-N -1 3 415.559 3.941 50 0 HHAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)cc1 ZINC000004884777 559196748 /nfs/dbraw/zinc/19/67/48/559196748.db2.gz CSVIUIIFRMVIMT-UHFFFAOYSA-N -1 3 400.500 3.575 50 0 HHAAHM CCCCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)Cc2ccc(OC)c(OC)c2)N1 ZINC000004904981 559200541 /nfs/dbraw/zinc/20/05/41/559200541.db2.gz GXSAGYUBGGVDIB-GOSISDBHSA-N -1 3 402.413 3.666 50 0 HHAAHM CC(=O)c1[n-]n(-c2cccc(Cl)c2C)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000100737149 559260751 /nfs/dbraw/zinc/26/07/51/559260751.db2.gz GTYSYUNTCAFDQD-WMZOPIPTSA-N -1 3 416.264 3.625 50 0 HHAAHM [O-][C@]1(C(F)(F)F)CC(c2cccc(O)c2)=NN1c1nc(-c2ccccn2)cs1 ZINC000005244356 560550134 /nfs/dbraw/zinc/55/01/34/560550134.db2.gz YCEVEUULRLWHAT-KRWDZBQOSA-N -1 3 406.389 3.776 50 0 HHAAHM O=S(=O)([N-]N=c1[nH]c2ccccc2nc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000005519456 560603227 /nfs/dbraw/zinc/60/32/27/560603227.db2.gz HJIIKWYYHIHBDM-UHFFFAOYSA-N -1 3 402.785 3.607 50 0 HHAAHM O=S(=O)([N-]CCOc1ccc(-c2ccccc2)nn1)c1ccccc1C(F)(F)F ZINC000017192121 560703572 /nfs/dbraw/zinc/70/35/72/560703572.db2.gz LCUZHQRMXZUVBY-UHFFFAOYSA-N -1 3 423.416 3.520 50 0 HHAAHM COc1ccc(NC(=O)c2sc3[n-]c(Cc4ccccc4)nc(=O)c3c2C)cn1 ZINC000017296913 560706209 /nfs/dbraw/zinc/70/62/09/560706209.db2.gz JBVHVENNGGFNJT-UHFFFAOYSA-N -1 3 406.467 3.540 50 0 HHAAHM CCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)ccc21 ZINC000017316519 560708585 /nfs/dbraw/zinc/70/85/85/560708585.db2.gz OMVUDYVSJBHRFC-UHFFFAOYSA-N -1 3 422.572 3.515 50 0 HHAAHM COc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)cc1 ZINC000005690329 560785083 /nfs/dbraw/zinc/78/50/83/560785083.db2.gz UESGTTXTMGLRPT-DYVFJYSZSA-N -1 3 403.504 3.502 50 0 HHAAHM Cc1ccc(NCc2cc(=O)n3nc(NCc4ccc(Cl)cc4)[n-]c3n2)c(C)c1 ZINC000101795921 560801467 /nfs/dbraw/zinc/80/14/67/560801467.db2.gz RVCJURIDRJEPKC-UHFFFAOYSA-N -1 3 408.893 3.912 50 0 HHAAHM CCc1ccc(NCc2cc(=O)n3nc(NCc4ccccc4Cl)[n-]c3n2)cc1 ZINC000101796202 560801497 /nfs/dbraw/zinc/80/14/97/560801497.db2.gz AZDXGTMMCFZCEN-UHFFFAOYSA-N -1 3 408.893 3.858 50 0 HHAAHM CCC[C@@H]1[C@H]2C(=O)N(c3ccccc3Br)C([O-])=C2ON1c1ccccc1 ZINC000102722006 560821432 /nfs/dbraw/zinc/82/14/32/560821432.db2.gz JPAGAUXKVTXNOI-KZNAEPCWSA-N -1 3 415.287 3.928 50 0 HHAAHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccs2)c1 ZINC000102861410 560831891 /nfs/dbraw/zinc/83/18/91/560831891.db2.gz CXQYYROFFWGQCQ-HSALFYBXSA-N -1 3 406.463 3.808 50 0 aggregator HHAAHM COc1ccc(-c2[n-]n(-c3ccccc3)c3c(O)n(-c4ccc(C)cc4)c(=O)c2-3)cc1 ZINC000103518505 560842823 /nfs/dbraw/zinc/84/28/23/560842823.db2.gz LDLNTYIVGRZWTB-GMAHTHKFSA-N -1 3 411.461 3.786 50 0 HHAAHM CCCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc(Cl)c1C)CC(=O)N2 ZINC000046074248 568426781 /nfs/dbraw/zinc/42/67/81/568426781.db2.gz WDNARVBFTHZTOS-NSHDSACASA-N -1 3 420.922 3.688 50 0 HHAAHM COc1ccccc1[C@H](C[N-]S(=O)(=O)c1cc(C)ccc1F)N1CCCCC1 ZINC000048287664 568434677 /nfs/dbraw/zinc/43/46/77/568434677.db2.gz CYKSJTGDVLTKNO-IBGZPJMESA-N -1 3 406.523 3.648 50 0 HHAAHM CCOc1ncccc1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000095453294 568615674 /nfs/dbraw/zinc/61/56/74/568615674.db2.gz CTIGFXUHVWGJLB-UHFFFAOYSA-N -1 3 423.691 3.514 50 0 HHAAHM O=C(CSCCc1ccccc1)Nc1ccc([O-])cc1I ZINC000225434398 568637735 /nfs/dbraw/zinc/63/77/35/568637735.db2.gz ZVUBUBCTBRVOOJ-UHFFFAOYSA-N -1 3 413.280 3.911 50 0 HHAAHM COc1ccc(OCc2cccc(C)c2)c([C@@H]2SC([N-]C(C)=O)=NN2C(C)=O)c1 ZINC000020896423 568649061 /nfs/dbraw/zinc/64/90/61/568649061.db2.gz BFJJTRBJFKHNTC-FQEVSTJZSA-N -1 3 413.499 3.584 50 0 HHAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccccc1C(F)(F)F ZINC000021051982 568661056 /nfs/dbraw/zinc/66/10/56/568661056.db2.gz VAJDASLMDCRYDW-CQSZACIVSA-N -1 3 406.451 3.709 50 0 HHAAHM Cc1ccc(C)c(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)c1 ZINC000021651476 568729348 /nfs/dbraw/zinc/72/93/48/568729348.db2.gz OVQGKQBPGAVBFG-LJQANCHMSA-N -1 3 414.552 3.893 50 0 HHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC(OC)CC3)cc2)cc1Cl ZINC000096382329 568741698 /nfs/dbraw/zinc/74/16/98/568741698.db2.gz WZZQFNODRQYRSR-UHFFFAOYSA-N -1 3 410.923 3.765 50 0 HHAAHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1nc(O)c(-c2ccccc2)c(=O)[n-]1 ZINC000001062585 568766395 /nfs/dbraw/zinc/76/63/95/568766395.db2.gz YTGBKFXXDWLPFE-OIISXLGYSA-N -1 3 416.543 3.520 50 0 biogenic HHAAHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCc1c(C)[nH]c2ccccc21 ZINC000001097266 568769529 /nfs/dbraw/zinc/76/95/29/568769529.db2.gz FHCOILQWIZGBHZ-UHFFFAOYSA-N -1 3 423.332 3.768 50 0 HHAAHM O=C1C(=C([O-])c2ccccc2)[C@H](c2ccccc2)CN1S(=O)(=O)c1ccccc1 ZINC000002470640 568773573 /nfs/dbraw/zinc/77/35/73/568773573.db2.gz QUTJVKGMOMZJAC-LEWJYISDSA-N -1 3 405.475 3.500 50 0 HHAAHM CCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4[O-])cc3C2=O)cc1 ZINC000057026306 568823483 /nfs/dbraw/zinc/82/34/83/568823483.db2.gz RFWILGMAYOGEAW-UHFFFAOYSA-N -1 3 402.406 3.844 50 0 HHAAHM CCOC(=O)c1ccc(NC(=O)c2nnsc2[N-]C(=O)Nc2ccccc2)cc1 ZINC000003766964 568868056 /nfs/dbraw/zinc/86/80/56/568868056.db2.gz CHTUHMSRFUIJBM-UHFFFAOYSA-N -1 3 411.443 3.611 50 0 HHAAHM CCOC(=O)c1cc(-c2ccc(F)cc2)nc2c1c(=O)[n-]c(=O)n2Cc1ccccc1 ZINC000003356618 568886918 /nfs/dbraw/zinc/88/69/18/568886918.db2.gz XJVHJJCZHWADKK-UHFFFAOYSA-N -1 3 419.412 3.528 50 0 HHAAHM O=S(=O)([N-][C@@H]1CCCN(Cc2cccs2)C1)c1ccccc1C(F)(F)F ZINC000670443556 568902439 /nfs/dbraw/zinc/90/24/39/568902439.db2.gz JZJKMMJHAPCKEU-CYBMUJFWSA-N -1 3 404.479 3.710 50 0 HHAAHM O=C(OCc1nc(=O)c2c3c(sc2[n-]1)CCCC3)c1ccc(Br)cc1 ZINC000003867356 568928142 /nfs/dbraw/zinc/92/81/42/568928142.db2.gz XPUCUKIXVNXRHD-UHFFFAOYSA-N -1 3 419.300 3.983 50 0 HHAAHM COC(=O)c1sccc1S(=O)(=O)[N-]CC(C)(c1ccccc1)c1ccccc1 ZINC000012746563 568932757 /nfs/dbraw/zinc/93/27/57/568932757.db2.gz WQQZCEWYWPOXIP-UHFFFAOYSA-N -1 3 415.536 3.819 50 0 HHAAHM COc1cc(C(=O)N(C)Cc2nc3ccsc3c(=O)[n-]2)cc(Cl)c1OC(C)C ZINC000012757662 568943267 /nfs/dbraw/zinc/94/32/67/568943267.db2.gz KOOWEHUMOFPKMO-UHFFFAOYSA-N -1 3 421.906 3.706 50 0 HHAAHM O=c1c2c[n-]nc2nc(SCc2cc3c(cc2Cl)OCO3)n1-c1ccccc1 ZINC000004248577 568953711 /nfs/dbraw/zinc/95/37/11/568953711.db2.gz WZGTZAODHSPSIQ-UHFFFAOYSA-N -1 3 412.858 3.783 50 0 HHAAHM O=c1c2cn[n-]c2nc(SCc2cc3c(cc2Cl)OCO3)n1-c1ccccc1 ZINC000004248577 568953712 /nfs/dbraw/zinc/95/37/12/568953712.db2.gz WZGTZAODHSPSIQ-UHFFFAOYSA-N -1 3 412.858 3.783 50 0 HHAAHM CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1ccc(C(C)C)cc1 ZINC000012779013 568956352 /nfs/dbraw/zinc/95/63/52/568956352.db2.gz BIIUEAZVQATXIH-GOSISDBHSA-N -1 3 424.563 3.988 50 0 HHAAHM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)c1n[nH]c2ccccc21 ZINC000008136117 568976919 /nfs/dbraw/zinc/97/69/19/568976919.db2.gz LJBYULUWPLXYNQ-UHFFFAOYSA-N -1 3 410.430 3.755 50 0 HHAAHM CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc2n[n-]nc2c1 ZINC000008232759 568984433 /nfs/dbraw/zinc/98/44/33/568984433.db2.gz ZJPCACPQLNWHQQ-UHFFFAOYSA-N -1 3 406.273 3.756 50 0 HHAAHM O=c1nc(CSc2nnnn2C2CCCC2)[n-]c2scc(-c3ccco3)c21 ZINC000008232290 568984475 /nfs/dbraw/zinc/98/44/75/568984475.db2.gz FVUZBMXOWWBZBF-UHFFFAOYSA-N -1 3 400.489 3.639 50 0 HHAAHM Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)c1 ZINC000015865798 569016717 /nfs/dbraw/zinc/01/67/17/569016717.db2.gz MCGYGCMGIHUSFK-GOSISDBHSA-N -1 3 400.525 3.585 50 0 HHAAHM O=C(Nc1nccs1)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000012904278 569021097 /nfs/dbraw/zinc/02/10/97/569021097.db2.gz WPYKHJXCSWWMKR-UHFFFAOYSA-N -1 3 411.867 3.989 50 0 HHAAHM CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)[N-]c1ccc(CN2CCCCC2)cc1 ZINC000006887517 569170822 /nfs/dbraw/zinc/17/08/22/569170822.db2.gz YILSNQZTXUEWLG-UHFFFAOYSA-N -1 3 419.547 3.595 50 0 HHAAHM CCc1csc(-c2csc(S(=O)(=O)[N-]Cc3cc(OC)cc(OC)c3)c2)n1 ZINC000065116836 569179986 /nfs/dbraw/zinc/17/99/86/569179986.db2.gz NTZUPGPINBBFSW-UHFFFAOYSA-N -1 3 424.569 3.930 50 0 HHAAHM Cc1cccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)Nc3ccc(C)c(C)c3)n2)c1 ZINC000006915690 569182297 /nfs/dbraw/zinc/18/22/97/569182297.db2.gz LGNOOHPKDUFLHS-UHFFFAOYSA-N -1 3 419.510 3.741 50 0 HHAAHM CCOC(=O)[C@@]([N-]c1cccc(F)c1)(NC(=O)OCc1ccccc1)C(F)(F)F ZINC000006995573 569197114 /nfs/dbraw/zinc/19/71/14/569197114.db2.gz YYLAJWRCYFGLFC-GOSISDBHSA-N -1 3 414.355 3.986 50 0 HHAAHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)c2ncccc2O3)c1 ZINC000065241544 569201802 /nfs/dbraw/zinc/20/18/02/569201802.db2.gz LFYLYFROARWYIR-UHFFFAOYSA-N -1 3 413.430 3.712 50 0 HHAAHM O=S(=O)([N-]C[C@](O)(c1ccsc1)c1cccs1)c1ccc(Cl)s1 ZINC000238829371 569225325 /nfs/dbraw/zinc/22/53/25/569225325.db2.gz FNVCLRXAHGNDKK-AWEZNQCLSA-N -1 3 405.975 3.739 50 0 HHAAHM CC(C)OCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000014231781 569259015 /nfs/dbraw/zinc/25/90/15/569259015.db2.gz PZFKFWGQWJFWCM-UHFFFAOYSA-N -1 3 410.923 3.686 50 0 HHAAHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCc1ccccc1Cl ZINC000001049633 569277120 /nfs/dbraw/zinc/27/71/20/569277120.db2.gz YIZJAKZJCNRRMH-SNVBAGLBSA-N -1 3 421.733 3.630 50 0 HHAAHM CC(=O)c1cccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000002869502 569278154 /nfs/dbraw/zinc/27/81/54/569278154.db2.gz NZXPLOUEAGFVFB-SNVBAGLBSA-N -1 3 415.298 3.502 50 0 HHAAHM CCCc1ccc([C@H](NC(=O)CC[N-]S(=O)(=O)c2cccs2)C(C)C)cc1 ZINC000007781285 569309953 /nfs/dbraw/zinc/30/99/53/569309953.db2.gz RWUPFLKIKUVYIP-HXUWFJFHSA-N -1 3 408.589 3.883 50 0 HHAAHM COc1ccc(C(=O)[N-]n2c(=O)c3ccccc3nc2C2CCCCC2)c(OC)c1 ZINC000027528464 569364376 /nfs/dbraw/zinc/36/43/76/569364376.db2.gz VLQISASXHYELMO-UHFFFAOYSA-N -1 3 407.470 3.845 50 0 HHAAHM Cc1ccc(NC(=O)[C@@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000008507001 571062873 /nfs/dbraw/zinc/06/28/73/571062873.db2.gz LZVWCKCEBMTGFO-CQSZACIVSA-N -1 3 405.483 3.537 50 0 HHAAHM CCCN1CCc2nc(SCC(=O)Nc3ccc(C)cc3Cl)[n-]c(=O)c2C1 ZINC000067291769 571068307 /nfs/dbraw/zinc/06/83/07/571068307.db2.gz ABHXHRGNDWKGCQ-UHFFFAOYSA-N -1 3 406.939 3.643 50 0 HHAAHM [O-][C@]1(C(F)(F)F)C2=C(NN1c1nc(-c3cccnc3)cs1)c1ccccc1OC2 ZINC000008777803 571118056 /nfs/dbraw/zinc/11/80/56/571118056.db2.gz FVGURTNJRHWURG-UGSOOPFHSA-N -1 3 418.400 3.689 50 0 HHAAHM [O-][C@]1(C(F)(F)F)C2=C(NN1c1nc(-c3ccccn3)cs1)c1ccccc1OC2 ZINC000008777796 571118224 /nfs/dbraw/zinc/11/82/24/571118224.db2.gz NYMHRIAICFXFAB-SGTLLEGYSA-N -1 3 418.400 3.689 50 0 HHAAHM CCOc1ccccc1[C@@H]1CC(c2ccccc2[N-]S(C)(=O)=O)=NN1C(=O)CC ZINC000009260404 571243757 /nfs/dbraw/zinc/24/37/57/571243757.db2.gz UCBIWPNMUSPPQT-IBGZPJMESA-N -1 3 415.515 3.545 50 0 HHAAHM Cc1cccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1C ZINC000009426965 571257853 /nfs/dbraw/zinc/25/78/53/571257853.db2.gz OCJSVJTXWCTELN-GFCCVEGCSA-N -1 3 401.315 3.916 50 0 HHAAHM CCNc1cc(C)nc(Nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)n1 ZINC000009572432 571269076 /nfs/dbraw/zinc/26/90/76/571269076.db2.gz IHDFGCHGJWRMFD-UHFFFAOYSA-N -1 3 401.467 3.900 50 0 HHAAHM O=C(NCc1ccccc1Cl)[C@@H]([N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000009597737 571272474 /nfs/dbraw/zinc/27/24/74/571272474.db2.gz HDCTYAHBSRHEAT-SFHVURJKSA-N -1 3 420.943 3.738 50 0 HHAAHM Cc1ccc(NC(=O)CSc2nc(-c3ccccc3C)nc3cc(=O)[n-]n32)c(C)c1 ZINC000009640574 571275582 /nfs/dbraw/zinc/27/55/82/571275582.db2.gz QJHWNRYTEDEWOF-UHFFFAOYSA-N -1 3 419.510 3.741 50 0 HHAAHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCc3ccccc3)cc2)c1 ZINC000009667872 571278291 /nfs/dbraw/zinc/27/82/91/571278291.db2.gz CCQHEQXXKWRGGZ-UHFFFAOYSA-N -1 3 424.522 3.534 50 0 HHAAHM CCN1CCOc2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2C1=O ZINC000009828195 571286755 /nfs/dbraw/zinc/28/67/55/571286755.db2.gz WEWZTYSKOCWJAL-UHFFFAOYSA-N -1 3 402.516 3.639 50 0 HHAAHM O=C(Nc1nc2ccccc2s1)c1c([O-])c2c(n(Cc3ccco3)c1=O)CCCC2 ZINC000008836502 571307848 /nfs/dbraw/zinc/30/78/48/571307848.db2.gz XAMIQJNTSWUPQR-UHFFFAOYSA-N -1 3 421.478 3.936 50 0 HHAAHM COc1ccc2oc(-c3cc(Br)cc4c3OCOC4)c([O-])c(=O)c2c1 ZINC000004819974 960615782 /nfs/dbraw/zinc/61/57/82/960615782.db2.gz WKAZFBCTBYMFMM-UHFFFAOYSA-N -1 3 405.200 3.803 50 0 HHAAHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc(OC)c(O)c3)nc(=O)c2c1C ZINC000013135479 962368831 /nfs/dbraw/zinc/36/88/31/962368831.db2.gz DVTHKOOLHOVFJH-POHAHGRESA-N -1 3 406.847 3.531 50 0 HHAAHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3cc(OC)cc(OC)c3)nc(=O)c2c1C ZINC000013141415 962369236 /nfs/dbraw/zinc/36/92/36/962369236.db2.gz LDIYKHVKMNDMEW-QPEQYQDCSA-N -1 3 420.874 3.834 50 0 HHAAHM Cc1ccc(N2CCCS2(=O)=O)cc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000038695505 966485613 /nfs/dbraw/zinc/48/56/13/966485613.db2.gz QQXDBMKMAZKVDR-UHFFFAOYSA-N -1 3 422.572 3.569 50 0 HHAAHM CC(C)[C@H]([N-]S(=O)(=O)/C=C\c1ccccc1)C(=O)OCc1cccc(F)c1F ZINC000096925443 969056043 /nfs/dbraw/zinc/05/60/43/969056043.db2.gz YQVFARRPDCJAHX-JZHDPFOFSA-N -1 3 409.454 3.623 50 0 HHAAHM O=C(COc1ccc(Cl)cc1C=C1SC(=O)[N-]C1=O)Nc1ccc(F)cc1 ZINC000097552342 969160185 /nfs/dbraw/zinc/16/01/85/969160185.db2.gz MGPCOEYLRPVNEW-OVCLIPMQSA-N -1 3 406.822 3.821 50 0 HHAAHM Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nc3c2nc[n-]c3=O)cc1 ZINC000012462135 291257006 /nfs/dbraw/zinc/25/70/06/291257006.db2.gz WPRHUQPOKXGIGA-UHFFFAOYSA-N -1 3 419.510 3.765 50 0 biogenic,in-vitro HHAAHM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1N1CCCCC1 ZINC000001032611 132235495 /nfs/dbraw/zinc/23/54/95/132235495.db2.gz QKYNAAZSZVRHRC-UHFFFAOYSA-N -1 3 406.479 3.794 50 0 HHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)C(C)C)cc1C ZINC000005099642 132301352 /nfs/dbraw/zinc/30/13/52/132301352.db2.gz UXRHYZXWYNZUCX-UHFFFAOYSA-N -1 3 402.516 3.740 50 0 HHAAHM Cn1c(Sc2c([O-])cc(N3CCOCC3)c3ccccc32)nnc1-c1ccncc1 ZINC000012427834 132359735 /nfs/dbraw/zinc/35/97/35/132359735.db2.gz QAMWGFAZLMASSO-UHFFFAOYSA-N -1 3 419.510 3.724 50 0 HHAAHM CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)[N-]c1ccc(C)cc1Br ZINC000020574888 521383777 /nfs/dbraw/zinc/38/37/77/521383777.db2.gz MNXIAHITEOFUCF-UHFFFAOYSA-N -1 3 415.309 3.680 50 0 HHAAHM Cc1nc2ccccc2nc1N1CCN([C@H](C(=O)[O-])c2c[nH]c3cc(F)ccc32)CC1 ZINC000032073603 527172841 /nfs/dbraw/zinc/17/28/41/527172841.db2.gz MPRJRTBZEOSVKZ-NRFANRHFSA-N -1 3 419.460 3.507 50 0 HHAAHM COc1ccc(S(=O)(=O)[N-]CCc2ccc(OC)c(OC)c2)c(Cl)c1Cl ZINC000000665542 557045320 /nfs/dbraw/zinc/04/53/20/557045320.db2.gz VVNDNOHLGTYIHA-UHFFFAOYSA-N -1 3 420.314 3.540 50 0 HHAAHM CCOC(=O)C1C(c2ccccc2)=NC(=O)N[C@H]1c1cc(Cl)c([O-])c(OCC)c1 ZINC000001184949 557233257 /nfs/dbraw/zinc/23/32/57/557233257.db2.gz YYIVZPOKEZGJEU-SFHVURJKSA-N -1 3 416.861 3.773 50 0 HHAAHM CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(Cl)c([O-])c(OCC)c1 ZINC000001184949 557233262 /nfs/dbraw/zinc/23/32/62/557233262.db2.gz YYIVZPOKEZGJEU-SFHVURJKSA-N -1 3 416.861 3.773 50 0 HHAAHM CCOP(=O)(OCC)[C@H]([N-]S(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl ZINC000002686439 557367726 /nfs/dbraw/zinc/36/77/26/557367726.db2.gz JOSHPJOYPURCIO-NSHDSACASA-N -1 3 424.670 3.927 50 0 HHAAHM CC(=O)Oc1cccc(C(=O)Nc2cccc(Oc3ccc4c(c3)C(=O)[N-]C4=O)c2)c1 ZINC000002850340 557404082 /nfs/dbraw/zinc/40/40/82/557404082.db2.gz BXURWVKULWYMRR-UHFFFAOYSA-N -1 3 416.389 3.540 50 0 HHAAHM CCOC(=O)[C@]([N-]c1ccc(Cl)cc1)(NC(=O)Cc1ccccc1)C(F)(F)F ZINC000003103372 557446701 /nfs/dbraw/zinc/44/67/01/557446701.db2.gz LQKJQSCEFRTRLC-SFHVURJKSA-N -1 3 414.811 3.933 50 0 HHAAHM CN1OC[C@H](S(=O)(=O)[N-]Cc2cccc(F)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000034739079 557450055 /nfs/dbraw/zinc/45/00/55/557450055.db2.gz AXXQEQGSTSFGKM-PMACEKPBSA-N -1 3 406.523 3.530 50 0 HHAAHM COCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc(C)cc3C)cc21 ZINC000004134533 557518603 /nfs/dbraw/zinc/51/86/03/557518603.db2.gz IHXXDJGMPPPOCZ-UHFFFAOYSA-N -1 3 417.483 3.962 50 0 HHAAHM COc1ccc(NC(=O)c2sc(=S)n3c4ccsc4c(=O)[n-]c23)cc1OC ZINC000002956422 557772978 /nfs/dbraw/zinc/77/29/78/557772978.db2.gz KROZNBHHSQUSLL-UHFFFAOYSA-N -1 3 419.509 3.903 50 0 HHAAHM CCc1nc2sc([C@@H](c3ccc(C(C)C)cc3)N3CCC(O)CC3)c([O-])n2n1 ZINC000022855203 557842448 /nfs/dbraw/zinc/84/24/48/557842448.db2.gz SLKAUBKGYYKXQF-GOSISDBHSA-N -1 3 400.548 3.728 50 0 HHAAHM Cc1cccc(Cn2cnc([N-]C(=O)c3cc4c(C(F)(F)F)nn(C)c4s3)n2)c1 ZINC000020616178 558393085 /nfs/dbraw/zinc/39/30/85/558393085.db2.gz GCVJVUPRALSFNJ-UHFFFAOYSA-N -1 3 420.420 3.854 50 0 HHAAHM Cc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c2c1 ZINC000020715372 558401155 /nfs/dbraw/zinc/40/11/55/558401155.db2.gz VSYGKTBNWFMGHT-IBGZPJMESA-N -1 3 418.419 3.838 50 0 HHAAHM O=C(Nc1nc2c(s1)CCC2)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000012972307 558489388 /nfs/dbraw/zinc/48/93/88/558489388.db2.gz VVVJRXLBBXCUKJ-UHFFFAOYSA-N -1 3 417.487 3.824 50 0 HHAAHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1nc(-c2cc3ccccc3o2)cs1 ZINC000028251128 558693743 /nfs/dbraw/zinc/69/37/43/558693743.db2.gz XMMPKRKAWKVXFC-UHFFFAOYSA-N -1 3 406.423 3.957 50 0 HHAAHM COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)c4cc(C)ccc4[O-])C3)C2)c1 ZINC000015063598 558706137 /nfs/dbraw/zinc/70/61/37/558706137.db2.gz MLRWHIWOXVKHMI-DEOSSOPVSA-N -1 3 412.505 3.977 50 0 HHAAHM COc1cc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCO3)cc(OC)c1[O-] ZINC000035615874 558794448 /nfs/dbraw/zinc/79/44/48/558794448.db2.gz SPPRQYIJVYAZKZ-UHFFFAOYSA-N -1 3 406.398 3.591 50 0 HHAAHM Cc1cc(S(=O)(=O)[N-]Cc2ccccc2)c(Br)cc1Br ZINC000054362972 558867856 /nfs/dbraw/zinc/86/78/56/558867856.db2.gz QQZXWOFUHGPFQU-UHFFFAOYSA-N -1 3 419.138 3.999 50 0 HHAAHM COc1cc(CN2CCN(C/C=C/c3ccccc3)CC2)cc(Br)c1[O-] ZINC000019537697 558914041 /nfs/dbraw/zinc/91/40/41/558914041.db2.gz GYBQRIHTMWXSBQ-VMPITWQZSA-N -1 3 417.347 3.994 50 0 HHAAHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC[C@@H]2c2cccs2)cc1OC ZINC000060108170 558941074 /nfs/dbraw/zinc/94/10/74/558941074.db2.gz FNHMZUMAADCMQF-OAHLLOKOSA-N -1 3 409.533 3.887 50 0 HHAAHM CCC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@@H]1c1cccc(Cl)c1 ZINC000097105758 558994019 /nfs/dbraw/zinc/99/40/19/558994019.db2.gz FIEQMJLBCDGTJG-GOSISDBHSA-N -1 3 405.907 3.799 50 0 HHAAHM CSc1ccc(N2C[C@H](c3nnc([N-]C(=O)c4ccccc4F)o3)CC2=O)cc1 ZINC000033291340 559045785 /nfs/dbraw/zinc/04/57/85/559045785.db2.gz JGKXBOAABDNVAQ-GFCCVEGCSA-N -1 3 412.446 3.703 50 0 HHAAHM O=C(c1cc(Cl)cc(Cl)c1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011450645 559076651 /nfs/dbraw/zinc/07/66/51/559076651.db2.gz YDHMMPLBLQSBSY-UHFFFAOYSA-N -1 3 419.355 3.638 50 0 HHAAHM CC(C)(C)C1CCC(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)CC1 ZINC000011450820 559076769 /nfs/dbraw/zinc/07/67/69/559076769.db2.gz YZZSFTQEAAJXHN-UHFFFAOYSA-N -1 3 412.621 3.870 50 0 HHAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000100510959 559136092 /nfs/dbraw/zinc/13/60/92/559136092.db2.gz AJAPTWKTHVPRHV-VSKRKVRLSA-N -1 3 418.424 3.885 50 0 HHAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000024104756 559190277 /nfs/dbraw/zinc/19/02/77/559190277.db2.gz RPJXDXAHNPRGDR-KRWDZBQOSA-N -1 3 408.426 3.961 50 0 HHAAHM Cc1cc(C(=O)[N-]c2nc(-c3ccc(I)cc3)cs2)on1 ZINC000012003272 559270756 /nfs/dbraw/zinc/27/07/56/559270756.db2.gz VAAIGMKIZMAKEO-UHFFFAOYSA-N -1 3 411.224 3.963 50 0 HHAAHM Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(F)c3)nc3c2nc[n-]c3=O)cc1 ZINC000012462118 560212001 /nfs/dbraw/zinc/21/20/01/560212001.db2.gz OUHWEALRGXTYNH-UHFFFAOYSA-N -1 3 423.473 3.596 50 0 biogenic,in-vitro HHAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](c1ccsc1)N1CCCC1 ZINC000008900122 560640215 /nfs/dbraw/zinc/64/02/15/560640215.db2.gz UOPDOHCIAMCAPZ-OAHLLOKOSA-N -1 3 400.953 3.526 50 0 HHAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccc(Cl)cc1)[C@H]2c1cccnc1 ZINC000170591332 560767593 /nfs/dbraw/zinc/76/75/93/560767593.db2.gz URMJABIZXOISIF-SLFFLAALSA-N -1 3 405.841 3.786 50 0 HHAAHM CCc1ccc(NCc2cc(=O)n3nc(NCc4ccc(Cl)cc4)[n-]c3n2)cc1 ZINC000101795888 560801372 /nfs/dbraw/zinc/80/13/72/560801372.db2.gz BSIJTYNTCWQOBA-UHFFFAOYSA-N -1 3 408.893 3.858 50 0 HHAAHM COc1ccc(-c2[n-]n(-c3ccccc3)c3c(O)n(-c4ccc(C)cc4)c(=O)c2-3)cc1 ZINC000103518510 560842807 /nfs/dbraw/zinc/84/28/07/560842807.db2.gz LDLNTYIVGRZWTB-JTHBVZDNSA-N -1 3 411.461 3.786 50 0 HHAAHM C[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1 ZINC000024579696 560860266 /nfs/dbraw/zinc/86/02/66/560860266.db2.gz VMICHFNEQOWSTE-OAHLLOKOSA-N -1 3 406.935 3.833 50 0 HHAAHM COc1cccc(OC)c1C([O-])=C1CC(=O)Nc2c1c(C)nn2-c1cccc(C)c1 ZINC000046057525 568426184 /nfs/dbraw/zinc/42/61/84/568426184.db2.gz RXPZYCBACULCPI-MRXNPFEDSA-N -1 3 405.454 3.815 50 0 HHAAHM O=S(=O)([N-]C[C@H](c1ccccc1Cl)N1CCCC1)c1ccc(F)c(F)c1 ZINC000048309471 568436365 /nfs/dbraw/zinc/43/63/65/568436365.db2.gz BNHKWMJSDWIRTC-GOSISDBHSA-N -1 3 400.878 3.734 50 0 HHAAHM CCS(=O)(=O)[N-]c1ccc(-c2noc(Cc3ccc(Br)cc3)n2)cc1 ZINC000033276366 568512466 /nfs/dbraw/zinc/51/24/66/568512466.db2.gz UPRHIOYUJOSOJV-UHFFFAOYSA-N -1 3 422.304 3.852 50 0 HHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cc(C)ccc2OCc2ccccc2F)S1 ZINC000020896300 568649048 /nfs/dbraw/zinc/64/90/48/568649048.db2.gz FBINEKCNTQERTJ-LJQANCHMSA-N -1 3 401.463 3.714 50 0 HHAAHM O=S(=O)([N-]CCc1ccccc1)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000020977668 568653857 /nfs/dbraw/zinc/65/38/57/568653857.db2.gz FFKRKSXTFGXPPP-UHFFFAOYSA-N -1 3 402.419 3.943 50 0 HHAAHM CCOc1nn(CC)cc1C(=O)[N-]c1nnc(SCc2cccc(F)c2)s1 ZINC000021011508 568657761 /nfs/dbraw/zinc/65/77/61/568657761.db2.gz GGLMYMCKMPSPPK-UHFFFAOYSA-N -1 3 407.496 3.837 50 0 HHAAHM Cc1ccc(C(=O)c2ccccc2NC(=O)c2[n-]cnc2C(=O)N2CCCCC2)cc1 ZINC000095939601 568661354 /nfs/dbraw/zinc/66/13/54/568661354.db2.gz KDPHPFXJKAHREF-UHFFFAOYSA-N -1 3 416.481 3.828 50 0 HHAAHM Cc1ccc(C(=O)c2ccccc2NC(=O)c2nc[n-]c2C(=O)N2CCCCC2)cc1 ZINC000095939601 568661357 /nfs/dbraw/zinc/66/13/57/568661357.db2.gz KDPHPFXJKAHREF-UHFFFAOYSA-N -1 3 416.481 3.828 50 0 HHAAHM O=C(C[N-]S(=O)(=O)/C=C\c1ccccc1)OCc1ccc(Cl)c(Cl)c1 ZINC000096401181 568750141 /nfs/dbraw/zinc/75/01/41/568750141.db2.gz BMZZGNJRDCRVBR-HJWRWDBZSA-N -1 3 400.283 3.627 50 0 HHAAHM Cc1nc2ccc([N-]S(=O)(=O)Cc3ccccc3)cc2c(=O)n1-c1ccc(F)cc1 ZINC000022502171 568768993 /nfs/dbraw/zinc/76/89/93/568768993.db2.gz GVFKAXFTJJOLNW-UHFFFAOYSA-N -1 3 423.469 3.775 50 0 HHAAHM O=c1[n-]c(=O)n(Cc2ccccc2)c2nc(C(F)(F)F)cc(-c3cccs3)c12 ZINC000003236099 568865675 /nfs/dbraw/zinc/86/56/75/568865675.db2.gz MHVWNNJZBAQUPA-UHFFFAOYSA-N -1 3 403.385 3.880 50 0 HHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCCOC(C)C)c2)cc1 ZINC000012604948 568870865 /nfs/dbraw/zinc/87/08/65/568870865.db2.gz VRQBWJJREFSYKM-UHFFFAOYSA-N -1 3 404.532 3.649 50 0 HHAAHM C[C@@]1(CSc2ccccc2C(=O)OCc2cccc3ccccc32)NC(=O)[N-]C1=O ZINC000003339880 568883446 /nfs/dbraw/zinc/88/34/46/568883446.db2.gz ZYUOIOWQNVSWPV-QHCPKHFHSA-N -1 3 420.490 3.887 50 0 HHAAHM C[C@]1(CSc2ccccc2C(=O)OCc2cccc3ccccc32)NC(=O)[N-]C1=O ZINC000003339878 568883563 /nfs/dbraw/zinc/88/35/63/568883563.db2.gz ZYUOIOWQNVSWPV-HSZRJFAPSA-N -1 3 420.490 3.887 50 0 HHAAHM Cc1ccc([C@@H](C)NC(=O)CN2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1C ZINC000012727293 568921053 /nfs/dbraw/zinc/92/10/53/568921053.db2.gz GXVWYDAALOMBEZ-GOSISDBHSA-N -1 3 409.530 3.537 50 0 HHAAHM Cc1cccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)Nc2ccc(C)c(C)c2)c1 ZINC000004669923 568926689 /nfs/dbraw/zinc/92/66/89/568926689.db2.gz OUXISNUJCXMBFL-UHFFFAOYSA-N -1 3 419.510 3.765 50 0 HHAAHM Cc1cccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)Nc2ccc(C)c(C)c2)c1 ZINC000004669923 568926692 /nfs/dbraw/zinc/92/66/92/568926692.db2.gz OUXISNUJCXMBFL-UHFFFAOYSA-N -1 3 419.510 3.765 50 0 HHAAHM COc1ccc(-c2cccc([N-]S(=O)(=O)c3cc(C)c(OC)c(C)c3C)c2)nn1 ZINC000004320253 568962908 /nfs/dbraw/zinc/96/29/08/568962908.db2.gz KYIHMPBWNJTZIA-UHFFFAOYSA-N -1 3 413.499 3.887 50 0 HHAAHM O=C(Nc1nccs1)c1cc(S(=O)(=O)[N-]C2CCCC2)c(Cl)cc1Cl ZINC000011027311 568978497 /nfs/dbraw/zinc/97/84/97/568978497.db2.gz NZAUWVCPHBKBLB-UHFFFAOYSA-N -1 3 420.343 3.923 50 0 HHAAHM COc1cccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c1 ZINC000006046379 568981305 /nfs/dbraw/zinc/98/13/05/568981305.db2.gz WXCAKFFFPGBVHD-UHFFFAOYSA-N -1 3 400.431 3.887 50 0 HHAAHM O=S(=O)([N-]Cc1ccc(F)cc1)c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1 ZINC000085664739 569006626 /nfs/dbraw/zinc/00/66/26/569006626.db2.gz NBNGXPGOEFRPCS-UHFFFAOYSA-N -1 3 405.398 3.775 50 0 HHAAHM CCC[C@@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2)c1cccs1 ZINC000015822176 569010776 /nfs/dbraw/zinc/01/07/76/569010776.db2.gz MNEKWZQLOCINOZ-LLVKDONJSA-N -1 3 400.909 3.552 50 0 HHAAHM CC[C@H](NC(=O)CCc1c(C)[nH]c(=S)[n-]c1=O)c1ccc(Br)cc1 ZINC000012917932 569022617 /nfs/dbraw/zinc/02/26/17/569022617.db2.gz NMEZPJFXNDIDSY-AWEZNQCLSA-N -1 3 410.337 3.704 50 0 HHAAHM CC[C@@H](NC(=O)CCc1c(C)[nH]c(=S)[n-]c1=O)c1ccc(Br)cc1 ZINC000012917929 569022632 /nfs/dbraw/zinc/02/26/32/569022632.db2.gz NMEZPJFXNDIDSY-CQSZACIVSA-N -1 3 410.337 3.704 50 0 HHAAHM O=C(COc1ccc(Cl)cc1Cl)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012940823 569028592 /nfs/dbraw/zinc/02/85/92/569028592.db2.gz GVRYHSVFNPFMRK-UHFFFAOYSA-N -1 3 423.296 3.955 50 0 HHAAHM O=S(=O)([N-]c1cc(-c2nnc3n2CCCCC3)c(F)cc1F)c1ccc(F)cc1 ZINC000012949828 569029491 /nfs/dbraw/zinc/02/94/91/569029491.db2.gz RLZQZJCYJSQVIR-UHFFFAOYSA-N -1 3 422.432 3.890 50 0 HHAAHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(CCOC)CCC3)cc1 ZINC000035588273 569046169 /nfs/dbraw/zinc/04/61/69/569046169.db2.gz TYDWUGRXQOZCLH-UHFFFAOYSA-N -1 3 404.532 3.675 50 0 HHAAHM COc1ccc(-c2[n-]n(-c3ccccc3)c3c(O)n(-c4ccc(F)cc4)c(=O)c2-3)cc1 ZINC000018120721 569047224 /nfs/dbraw/zinc/04/72/24/569047224.db2.gz RRVQBSIBMVQEEV-IFMALSPDSA-N -1 3 415.424 3.617 50 0 HHAAHM CC[C@@H](C)N1Cc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2OCC1=O ZINC000035887168 569064685 /nfs/dbraw/zinc/06/46/85/569064685.db2.gz WXXRKSFCIWVCNG-CYBMUJFWSA-N -1 3 408.907 3.660 50 0 HHAAHM Cc1nnc2ccc(-c3ccc(C)c(S(=O)(=O)[N-]c4ccc(C)cc4C)c3)nn12 ZINC000064983818 569144604 /nfs/dbraw/zinc/14/46/04/569144604.db2.gz RCUDIIAPBIVJFR-UHFFFAOYSA-N -1 3 407.499 3.826 50 0 HHAAHM O=S(=O)(Cc1ccccc1Cl)[N-]C[C@](O)(c1ccsc1)c1cccs1 ZINC000238821935 569225309 /nfs/dbraw/zinc/22/53/09/569225309.db2.gz CVVDUQDDUUYNRP-KRWDZBQOSA-N -1 3 413.973 3.819 50 0 HHAAHM O=S(=O)([N-]C[C@H]1CCN(c2ccccc2)C1)c1csc(-c2ccc(F)cc2)n1 ZINC000065487994 569231746 /nfs/dbraw/zinc/23/17/46/569231746.db2.gz ZJRLEANXSPYEFY-OAHLLOKOSA-N -1 3 417.531 3.754 50 0 HHAAHM O=C(c1cc(OCc2ccccc2)ccc1[O-])N1CCN(c2ncccc2Cl)CC1 ZINC000170634667 569275960 /nfs/dbraw/zinc/27/59/60/569275960.db2.gz VGZFDCALHPUDCP-UHFFFAOYSA-N -1 3 423.900 3.982 50 0 HHAAHM Cc1ccc(-c2ccc(OCC[N-]S(=O)(=O)c3ccc(Cl)s3)nn2)cc1 ZINC000007598184 569288105 /nfs/dbraw/zinc/28/81/05/569288105.db2.gz XJHRNOCJCHCJMN-UHFFFAOYSA-N -1 3 409.920 3.524 50 0 HHAAHM Cc1ccc(Cn2[n-]ccc2=NC(=O)c2cccnc2SCc2c(C)noc2C)o1 ZINC000253389992 569364992 /nfs/dbraw/zinc/36/49/92/569364992.db2.gz MPCBXMGQMMDOJI-UHFFFAOYSA-N -1 3 423.498 3.799 50 0 HHAAHM O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc2ccccc2cc1NC(=O)C1CC1 ZINC000078714641 569419887 /nfs/dbraw/zinc/41/98/87/569419887.db2.gz IXKXZVFHVILNFV-UHFFFAOYSA-N -1 3 412.453 3.545 50 0 HHAAHM O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc2ccccc2cc1NC(=O)C1CC1 ZINC000078714641 569419889 /nfs/dbraw/zinc/41/98/89/569419889.db2.gz IXKXZVFHVILNFV-UHFFFAOYSA-N -1 3 412.453 3.545 50 0 HHAAHM O=C([N-]n1c(=O)c2ccccc2nc1-c1ccc(Br)cc1)c1cccnc1 ZINC000008660803 571099505 /nfs/dbraw/zinc/09/95/05/571099505.db2.gz STFVQCOQHRWILQ-UHFFFAOYSA-N -1 3 421.254 3.605 50 0 HHAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)nc3)cc2)cc1 ZINC000008710335 571105116 /nfs/dbraw/zinc/10/51/16/571105116.db2.gz HQDRBNIDECJPEG-UHFFFAOYSA-N -1 3 417.874 3.797 50 0 HHAAHM [O-][C@@]1(C(F)(F)F)C2=C(NN1c1nc(-c3ccncc3)cs1)c1ccccc1OC2 ZINC000008777805 571118099 /nfs/dbraw/zinc/11/80/99/571118099.db2.gz ZKMAAHHVFDJQII-FZKQIMNGSA-N -1 3 418.400 3.689 50 0 HHAAHM C[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1cccc(Br)c1)N2 ZINC000245296651 571223381 /nfs/dbraw/zinc/22/33/81/571223381.db2.gz NDZLOPNPLGWVKM-LYSGOOTNSA-N -1 3 405.214 3.948 50 0 HHAAHM CCN1c2cc([N-]S(=O)(=O)c3ccc(F)c(C)c3)ccc2OCC(C)(C)C1=O ZINC000009170727 571233821 /nfs/dbraw/zinc/23/38/21/571233821.db2.gz SMINJWAANFSBNQ-UHFFFAOYSA-N -1 3 406.479 3.706 50 0 HHAAHM Cc1nc(-c2ccc(NC(=O)NCc3cccnc3OC3CCCC3)cc2)cc(=O)[n-]1 ZINC000069742782 571242588 /nfs/dbraw/zinc/24/25/88/571242588.db2.gz KCZIFYQFGHIDBY-UHFFFAOYSA-N -1 3 419.485 3.783 50 0 HHAAHM Cc1cc(C)nc(SCc2ccccc2C(=O)Nc2cccc(-c3nnn[n-]3)c2)n1 ZINC000009453800 571260102 /nfs/dbraw/zinc/26/01/02/571260102.db2.gz MZNCAUUSMSHWPE-UHFFFAOYSA-N -1 3 417.498 3.818 50 0 HHAAHM Cc1cc(C)nc(SCc2ccccc2C(=O)Nc2cccc(-c3nn[n-]n3)c2)n1 ZINC000009453800 571260103 /nfs/dbraw/zinc/26/01/03/571260103.db2.gz MZNCAUUSMSHWPE-UHFFFAOYSA-N -1 3 417.498 3.818 50 0 HHAAHM COc1ccc(C(=O)CSc2nc3c(cnn3-c3ccccc3C)c(=O)[n-]2)cc1 ZINC000009522287 571265812 /nfs/dbraw/zinc/26/58/12/571265812.db2.gz ZPSZDPVLGSDNPT-UHFFFAOYSA-N -1 3 406.467 3.813 50 0 HHAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccn1Cc1ccc(F)cc1 ZINC000009527439 571266057 /nfs/dbraw/zinc/26/60/57/571266057.db2.gz RALJLWXCGHXAKV-UHFFFAOYSA-N -1 3 408.882 3.816 50 0 HHAAHM Cc1[nH]c(=S)[n-]c(=O)c1CCC(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000009582578 571271022 /nfs/dbraw/zinc/27/10/22/571271022.db2.gz VHTSUIDMRRICPV-MRVPVSSYSA-N -1 3 404.294 3.997 50 0 HHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)Cc3ccccc3)cc2)cc1 ZINC000009667867 571278277 /nfs/dbraw/zinc/27/82/77/571278277.db2.gz BWLXKIJCLLYWJD-UHFFFAOYSA-N -1 3 424.522 3.833 50 0 HHAAHM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1C(=O)N1CCCCC1 ZINC000009684571 571279448 /nfs/dbraw/zinc/27/94/48/571279448.db2.gz NLPDYEDQNYKKLY-UHFFFAOYSA-N -1 3 413.902 3.851 50 0 HHAAHM COc1cc([C@H]2CC(=O)Nc3c2c(=O)[n-]n3C2CCCCCC2)cc(OC)c1O ZINC000071280258 571290536 /nfs/dbraw/zinc/29/05/36/571290536.db2.gz AKCKRVHGOGQYBF-CQSZACIVSA-N -1 3 401.463 3.918 50 0 HHAAHM O=C(c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1)N1CCC[C@@H]1c1ccccc1 ZINC000009957310 571291648 /nfs/dbraw/zinc/29/16/48/571291648.db2.gz QZAVSNRACLJYNV-GOSISDBHSA-N -1 3 404.919 3.758 50 0 HHAAHM CCCn1c(=O)[n-]nc1SCC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000010438831 571302829 /nfs/dbraw/zinc/30/28/29/571302829.db2.gz IKPZYCMUCSLBEC-INIZCTEOSA-N -1 3 420.585 3.783 50 0 HHAAHM [O-]c1c(Br)cc(Br)cc1C=NNc1ccc(Cl)nn1 ZINC000254741419 970577799 /nfs/dbraw/zinc/57/77/99/970577799.db2.gz QWLHVUDCVJRNSA-UHFFFAOYSA-N -1 3 406.465 3.807 50 0 HHAAHM Cc1cc(OCC(=O)N2NC3=C(CCCC3)[C@]2([O-])C(F)(F)F)cc(C)c1Cl ZINC000032117701 525358803 /nfs/dbraw/zinc/35/88/03/525358803.db2.gz BJXKGEGKVRNNCW-DYVFJYSZSA-N -1 3 404.816 3.975 50 0 HHAAHM Cn1c(=O)[n-]nc1S[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000040161939 527021401 /nfs/dbraw/zinc/02/14/01/527021401.db2.gz OFLWYWURMAFJNU-CQSZACIVSA-N -1 3 408.405 3.599 50 0 HHAAHM O=C1Nc2ccc(S(=O)(=O)[N-]c3cc4c(cc3Cl)OCO4)c3cccc1c23 ZINC000032915921 527089026 /nfs/dbraw/zinc/08/90/26/527089026.db2.gz WWHDTACTQCXBPP-UHFFFAOYSA-N -1 3 402.815 3.588 50 0 HHAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)N1 ZINC000000653359 557039849 /nfs/dbraw/zinc/03/98/49/557039849.db2.gz FZMQSNAZSRPBEY-LJQANCHMSA-N -1 3 408.376 3.820 50 0 HHAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(COc3ccc(Cl)cc3)o2)N1 ZINC000000653287 557039891 /nfs/dbraw/zinc/03/98/91/557039891.db2.gz ULGUSPCLDUIBGD-MRXNPFEDSA-N -1 3 402.756 3.985 50 0 HHAAHM COC(=O)c1c(C)c(C(=O)Nc2ccc(OC)cc2)sc1[N-]C(=O)c1ccco1 ZINC000000669002 557047541 /nfs/dbraw/zinc/04/75/41/557047541.db2.gz MWFSOWFUCOKVEV-UHFFFAOYSA-N -1 3 414.439 3.949 50 0 HHAAHM CO[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccccc1 ZINC000001135664 557201191 /nfs/dbraw/zinc/20/11/91/557201191.db2.gz JAKNCMIJNJQYJS-FQEVSTJZSA-N -1 3 414.458 3.953 50 0 HHAAHM CCOc1cc(Br)c(Br)c(C=C2SC(=O)[N-]C2=O)c1O ZINC000001196234 557237717 /nfs/dbraw/zinc/23/77/17/557237717.db2.gz HEYOLJXSPBPLRJ-FPYGCLRLSA-N -1 3 423.082 3.640 50 0 HHAAHM C[C@H]([N-]S(=O)(=O)[C@@H]1CON(C)[C@@H]1c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000034739022 557450047 /nfs/dbraw/zinc/45/00/47/557450047.db2.gz RKUYIPOPOSUOBC-ZLGUVYLKSA-N -1 3 402.560 3.951 50 0 HHAAHM CCOC(=O)N[C@]([N-]c1ccc(C(F)(F)F)cc1)(C(=O)OCC)C(F)(F)F ZINC000003138062 557450556 /nfs/dbraw/zinc/45/05/56/557450556.db2.gz ZHKOIANNPXJIDB-CYBMUJFWSA-N -1 3 402.291 3.685 50 0 HHAAHM CC[C@H]1CCCCN1S(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2)cc1 ZINC000004742249 557591165 /nfs/dbraw/zinc/59/11/65/557591165.db2.gz OFZDBNJFOPNPTC-IBGZPJMESA-N -1 3 422.572 3.582 50 0 HHAAHM O=C(Nc1cccc(Cl)c1)Nc1ccccc1SCc1cc(=O)[n-]c(=O)[nH]1 ZINC000006222446 557694842 /nfs/dbraw/zinc/69/48/42/557694842.db2.gz LVYVYMDNWCGUII-UHFFFAOYSA-N -1 3 402.863 3.653 50 0 HHAAHM O=C([N-]c1nn(Cc2c(Cl)cccc2Cl)cc1Cl)c1nc2ncccn2n1 ZINC000002808587 557767203 /nfs/dbraw/zinc/76/72/03/557767203.db2.gz JVCPTIUPCOPCNQ-UHFFFAOYSA-N -1 3 422.663 3.582 50 0 HHAAHM Cc1c(C(=O)Nc2ccccc2)sc([N-]C(=O)c2cnccn2)c1C(=O)OC(C)C ZINC000002843659 557768601 /nfs/dbraw/zinc/76/86/01/557768601.db2.gz AEWFJDGCTUCQFH-UHFFFAOYSA-N -1 3 424.482 3.916 50 0 HHAAHM Cc1ccc(OCC(=O)Nc2cccc(Oc3ccc4c(c3)C(=O)[N-]C4=O)c2)cc1C ZINC000009584716 557846410 /nfs/dbraw/zinc/84/64/10/557846410.db2.gz UJCXPNJGZBVQBI-UHFFFAOYSA-N -1 3 416.433 3.997 50 0 HHAAHM Cc1nnc(SCc2cc(=O)[n-]c(NC(=N)Nc3cccc(Cl)c3C)n2)s1 ZINC000009938586 557851981 /nfs/dbraw/zinc/85/19/81/557851981.db2.gz WBDNMIDQYSJCMI-UHFFFAOYSA-N -1 3 421.939 3.643 50 0 HHAAHM Nc1nonc1[N-]C(=O)c1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N ZINC000012376943 558392315 /nfs/dbraw/zinc/39/23/15/558392315.db2.gz NAWNHTDFQJPASY-UHFFFAOYSA-N -1 3 420.376 3.782 50 0 HHAAHM O=C(CSc1n[n-]c(COc2ccc(Cl)cc2)n1)N1CCc2sccc2C1 ZINC000022013578 558457872 /nfs/dbraw/zinc/45/78/72/558457872.db2.gz AGPPBFSQRKCLIX-UHFFFAOYSA-N -1 3 420.947 3.776 50 0 HHAAHM O=C(c1csc2c1CCCC2)N1CCC[C@H](C[N-]S(=O)(=O)c2cccs2)C1 ZINC000012836341 558478423 /nfs/dbraw/zinc/47/84/23/558478423.db2.gz UYTNHCKBEKSUEI-CQSZACIVSA-N -1 3 424.613 3.519 50 0 HHAAHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1 ZINC000012867053 558482093 /nfs/dbraw/zinc/48/20/93/558482093.db2.gz LQDQEBDRGJIUSK-UHFFFAOYSA-N -1 3 408.479 3.699 50 0 HHAAHM O=C([N-]c1ccc(Cl)cc1F)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000013000742 558500288 /nfs/dbraw/zinc/50/02/88/558500288.db2.gz NRVJGXJBTPDDGC-UHFFFAOYSA-N -1 3 402.900 3.968 50 0 HHAAHM CN(C)S(=O)(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000013112953 558515607 /nfs/dbraw/zinc/51/56/07/558515607.db2.gz FZFVHWWGYOKDOS-UHFFFAOYSA-N -1 3 424.931 3.544 50 0 HHAAHM Cc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(Cl)cc2)cc1 ZINC000013427023 558532607 /nfs/dbraw/zinc/53/26/07/558532607.db2.gz ZYSNZAHLHRYOLQ-RLFYNMQTSA-N -1 3 412.795 3.752 50 0 HHAAHM COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NOC2=C1[O-] ZINC000016012182 558766522 /nfs/dbraw/zinc/76/65/22/558766522.db2.gz VVIUAAGTRIKSQP-NVXWUHKLSA-N -1 3 405.237 3.603 50 0 HHAAHM Cc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(Br)cc2)n1 ZINC000013495310 558809350 /nfs/dbraw/zinc/80/93/50/558809350.db2.gz FOKGIWNKKHFKFW-GFCCVEGCSA-N -1 3 422.304 3.847 50 0 HHAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)N3CCC[C@H](C)C3)cc2)cc1 ZINC000017091966 558820492 /nfs/dbraw/zinc/82/04/92/558820492.db2.gz JNMBSNULZSJHEF-HNNXBMFYSA-N -1 3 419.572 3.925 50 0 HHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCC(C)C)CCC3)cc2)cc1 ZINC000033128560 558882281 /nfs/dbraw/zinc/88/22/81/558882281.db2.gz UXIZIOPFURCOQK-UHFFFAOYSA-N -1 3 400.544 3.990 50 0 HHAAHM COc1cccc(Cc2nc3c(c(=O)[n-]2)CN(C(=O)Nc2ccc(C)c(C)c2)CC3)c1 ZINC000004720217 558918983 /nfs/dbraw/zinc/91/89/83/558918983.db2.gz IXUVZOVQQVQJOY-UHFFFAOYSA-N -1 3 418.497 3.576 50 0 HHAAHM COC(=O)c1c([N-]C(=O)c2cc(C)no2)sc2c1CCN(Cc1ccccc1)C2 ZINC000023128090 559016316 /nfs/dbraw/zinc/01/63/16/559016316.db2.gz GZJLEIMIYARQQU-UHFFFAOYSA-N -1 3 411.483 3.642 50 0 HHAAHM O=c1nc(CN2CCN(c3ccc(O)cc3)CC2)[n-]c2scc(-c3ccccc3)c21 ZINC000084564658 559154418 /nfs/dbraw/zinc/15/44/18/559154418.db2.gz SNZWACKLZRSPII-UHFFFAOYSA-N -1 3 418.522 3.679 50 0 HHAAHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1 ZINC000005144778 559252373 /nfs/dbraw/zinc/25/23/73/559252373.db2.gz IWJARQMFMKTBAI-UHFFFAOYSA-N -1 3 410.499 3.553 50 0 HHAAHM Cc1cccc(-n2c(O)c([C@H]3NCCc4c5ccccc5[nH]c43)c(=O)[n-]c2=S)c1 ZINC000100755402 559263539 /nfs/dbraw/zinc/26/35/39/559263539.db2.gz KJCATAWQFHHVIF-LJQANCHMSA-N -1 3 404.495 3.626 50 0 biogenic HHAAHM COc1ccc(C(=O)[N-]n2c(=O)c3ccccc3nc2-c2cccc(C)c2)c(OC)c1 ZINC000005199294 559292424 /nfs/dbraw/zinc/29/24/24/559292424.db2.gz ZUOLMHHASTUKTC-UHFFFAOYSA-N -1 3 415.449 3.773 50 0 HHAAHM O=C(COC(=O)c1ccc([O-])cc1O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000005230867 560547778 /nfs/dbraw/zinc/54/77/78/560547778.db2.gz MLJXWGFXGRMSKC-UHFFFAOYSA-N -1 3 401.434 3.755 50 0 HHAAHM COc1ccccc1[C@@H]1SCC(=O)Nc2c1c(=O)[n-]n2[C@@H]1CCOC(C)(C)C1 ZINC000005625262 560633676 /nfs/dbraw/zinc/63/36/76/560633676.db2.gz UEPNIWSBMBAOKJ-PXAZEXFGSA-N -1 3 403.504 3.502 50 0 HHAAHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(Br)c2)cc1Cl ZINC000002972652 560732451 /nfs/dbraw/zinc/73/24/51/560732451.db2.gz WWTSBKBNYFZHSG-UHFFFAOYSA-N -1 3 406.685 3.921 50 0 HHAAHM COc1ccc(-c2c[nH]nc2-c2ccc(OCCN3C[C@@H](C)O[C@@H](C)C3)cc2[O-])cc1 ZINC000018163308 560780654 /nfs/dbraw/zinc/78/06/54/560780654.db2.gz PECWLVBNTYMCNI-CALCHBBNSA-N -1 3 423.513 3.946 50 0 HHAAHM Cc1cccc(NCc2cc(=O)n3nc(NCc4ccccc4Cl)[n-]c3n2)c1C ZINC000101796255 560801481 /nfs/dbraw/zinc/80/14/81/560801481.db2.gz WWDFBXBZOILOGI-UHFFFAOYSA-N -1 3 408.893 3.912 50 0 HHAAHM Cc1ccc(NCc2cc(=O)n3nc(NCc4cccs4)[n-]c3n2)cc1Cl ZINC000101797174 560801878 /nfs/dbraw/zinc/80/18/78/560801878.db2.gz HWEROKAVDCDSBC-UHFFFAOYSA-N -1 3 400.895 3.665 50 0 HHAAHM Cc1cc(=O)n2nc(NCc3ccc(C(=O)Nc4ccc(C)c(Cl)c4)cc3)[n-]c2n1 ZINC000101857919 560803880 /nfs/dbraw/zinc/80/38/80/560803880.db2.gz ZHLSTFSZEQCJSS-UHFFFAOYSA-N -1 3 422.876 3.552 50 0 HHAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)cc1 ZINC000102713092 560822930 /nfs/dbraw/zinc/82/29/30/560822930.db2.gz RAXYROGTNMRWJD-FDFHNCONSA-N -1 3 400.434 3.752 50 0 HHAAHM COc1cc([C@H]2[N-]c3nonc3N=C3CC(C)(C)CC(=O)C32)cc(OC)c1OC ZINC000102752309 560825603 /nfs/dbraw/zinc/82/56/03/560825603.db2.gz CVCVIIUNQZVAOR-MRXNPFEDSA-N -1 3 400.435 3.967 50 0 HHAAHM O=S(=O)([N-]Cc1nc2cccnc2n1Cc1ccccc1)c1ccc(Cl)s1 ZINC000047146030 560882381 /nfs/dbraw/zinc/88/23/81/560882381.db2.gz RUEOMNIZZMLMJZ-UHFFFAOYSA-N -1 3 418.931 3.673 50 0 HHAAHM COc1cc(S(=O)(=O)[N-]c2ccc(C)cc2Br)c(OC)cc1C ZINC000008132506 560892879 /nfs/dbraw/zinc/89/28/79/560892879.db2.gz WIFPFXRXTXHQJZ-UHFFFAOYSA-N -1 3 400.294 3.884 50 0 HHAAHM O=S(=O)([N-]C[C@@H](c1cccs1)N1CCc2ccccc2C1)c1cccs1 ZINC000022907920 568415971 /nfs/dbraw/zinc/41/59/71/568415971.db2.gz UVZAULDZTYYZTR-KRWDZBQOSA-N -1 3 404.582 3.888 50 0 HHAAHM O=C([O-])[C@@]1(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)CCCN(Cc2ccccc2)C1 ZINC000108377792 568418616 /nfs/dbraw/zinc/41/86/16/568418616.db2.gz HFYFGPHBUAUSQV-SQGPQFPESA-N -1 3 412.452 3.591 50 0 HHAAHM CCOC(=O)c1sc([N-]C(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)nc1C ZINC000046086924 568428182 /nfs/dbraw/zinc/42/81/82/568428182.db2.gz JNPUHURVOHJMHV-UHFFFAOYSA-N -1 3 417.443 3.553 50 0 HHAAHM Cc1ccc(NC(=O)CN2CCc3[n-]c4c(F)ccc(F)c4c(=O)c3C2)cc1Cl ZINC000049003232 568446310 /nfs/dbraw/zinc/44/63/10/568446310.db2.gz QCIJGVXEOBYHRU-UHFFFAOYSA-N -1 3 417.843 3.765 50 0 HHAAHM CC(=O)c1c(C)[nH]c(C(=O)OCc2nc(=O)c3c4c(sc3[n-]2)C[C@H](C)CC4)c1C ZINC000005696272 568453722 /nfs/dbraw/zinc/45/37/22/568453722.db2.gz HABJWDAQMMPCKF-SECBINFHSA-N -1 3 413.499 3.614 50 0 HHAAHM CS(=O)(=O)[N-]c1cc(NC(=O)c2ccccc2C(=O)c2ccccc2)ccc1F ZINC000022890973 568500376 /nfs/dbraw/zinc/50/03/76/568500376.db2.gz BXGPQKKFKDBIBS-UHFFFAOYSA-N -1 3 412.442 3.681 50 0 HHAAHM CSc1ccc(N2C[C@@H](c3nnc([N-]C(=O)c4ccccc4F)o3)CC2=O)cc1 ZINC000033291338 568513018 /nfs/dbraw/zinc/51/30/18/568513018.db2.gz JGKXBOAABDNVAQ-LBPRGKRZSA-N -1 3 412.446 3.703 50 0 HHAAHM Cc1cc(OCC(=O)N2NC3=C(C[C@@H](C)CC3)[C@]2([O-])C(F)(F)F)ccc1Cl ZINC000020034305 568586451 /nfs/dbraw/zinc/58/64/51/568586451.db2.gz IYLMBOOJSAQWPN-GDKCJGSASA-N -1 3 404.816 3.913 50 0 HHAAHM Cc1c(C(=O)[N-]c2c(F)cccc2F)sc2nc(C)nc(N3CCN(C)CC3)c12 ZINC000020753810 568641523 /nfs/dbraw/zinc/64/15/23/568641523.db2.gz DCZWRYWJRDVCQY-UHFFFAOYSA-N -1 3 417.485 3.590 50 0 HHAAHM O=C(NC1CCCCCCC1)[C@@H]([N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000021111756 568668173 /nfs/dbraw/zinc/66/81/73/568668173.db2.gz YZMWUDYTVAOOIA-IBGZPJMESA-N -1 3 406.573 3.997 50 0 HHAAHM CCC[C@@H]1[C@@H]2C(=O)N(c3ccccc3Br)C([O-])=C2ON1c1ccccc1 ZINC000226981205 568698938 /nfs/dbraw/zinc/69/89/38/568698938.db2.gz JPAGAUXKVTXNOI-FGTMMUONSA-N -1 3 415.287 3.928 50 0 HHAAHM O=S(=O)([N-]CCn1nc(-c2ccccn2)cc1C1CC1)c1ccc(Cl)s1 ZINC000096121748 568699967 /nfs/dbraw/zinc/69/99/67/568699967.db2.gz YLWNNULGVYAHCR-UHFFFAOYSA-N -1 3 408.936 3.516 50 0 HHAAHM CS(=O)(=O)[N-]c1ccc2nc(SCC(=O)NC3CCCCCC3)sc2c1 ZINC000096399484 568747975 /nfs/dbraw/zinc/74/79/75/568747975.db2.gz JARFYFZMUMITMB-UHFFFAOYSA-N -1 3 413.590 3.599 50 0 HHAAHM CC[C@H]1CCCN(C(=O)c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2[O-])C1 ZINC000031678176 568837694 /nfs/dbraw/zinc/83/76/94/568837694.db2.gz UKSHHHAOBJWXRC-HNNXBMFYSA-N -1 3 412.486 3.924 50 0 HHAAHM O=C(Nc1ncccc1[O-])c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1 ZINC000012527043 568843464 /nfs/dbraw/zinc/84/34/64/568843464.db2.gz ZTWUQLYCDKDAAY-UHFFFAOYSA-N -1 3 422.448 3.895 50 0 HHAAHM O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cc(-c2ccco2)[n-]n1 ZINC000012552473 568854352 /nfs/dbraw/zinc/85/43/52/568854352.db2.gz ZBLWWSGHHGXVQC-UHFFFAOYSA-N -1 3 405.483 3.937 50 0 HHAAHM O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cc(-c2ccco2)n[n-]1 ZINC000012552473 568854353 /nfs/dbraw/zinc/85/43/53/568854353.db2.gz ZBLWWSGHHGXVQC-UHFFFAOYSA-N -1 3 405.483 3.937 50 0 HHAAHM O=C(COc1ccccc1F)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000012581226 568864278 /nfs/dbraw/zinc/86/42/78/568864278.db2.gz VHQZJKBZGDPTNL-UHFFFAOYSA-N -1 3 418.421 3.783 50 0 HHAAHM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1)C1CC1 ZINC000012583377 568865495 /nfs/dbraw/zinc/86/54/95/568865495.db2.gz JYAJLCQQAVWVAH-UHFFFAOYSA-N -1 3 400.378 3.735 50 0 HHAAHM CCOc1cc(C(=O)CCC(=O)N(C)CC(=O)Nc2ccc(Cl)cc2)ccc1[O-] ZINC000003359051 568887379 /nfs/dbraw/zinc/88/73/79/568887379.db2.gz IDSZTNBCBNGUNS-UHFFFAOYSA-N -1 3 418.877 3.504 50 0 HHAAHM Cc1c([O-])ccc2c(C)c(CCC(=O)NCCc3c[nH]c4ccccc34)c(=O)oc12 ZINC000004088765 568941232 /nfs/dbraw/zinc/94/12/32/568941232.db2.gz JSAKOZSBQASHGE-UHFFFAOYSA-N -1 3 404.466 3.888 50 0 biogenic HHAAHM O=S(=O)([N-]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1ccccc1C(F)(F)F ZINC000084501803 568949782 /nfs/dbraw/zinc/94/97/82/568949782.db2.gz ZNSDCUWYXUCFGY-GFCCVEGCSA-N -1 3 420.403 3.788 50 0 HHAAHM Cc1cccc(-n2ccnc2S[C@@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1 ZINC000026046560 569003138 /nfs/dbraw/zinc/00/31/38/569003138.db2.gz TXYDMZCSAVZGNJ-HNNXBMFYSA-N -1 3 415.540 3.916 50 0 HHAAHM COc1ccc(C(=O)N2CCC2)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1Cl ZINC000012872347 569013324 /nfs/dbraw/zinc/01/33/24/569013324.db2.gz KIXTWNURLLYCBK-UHFFFAOYSA-N -1 3 415.298 3.649 50 0 HHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OS(=O)(=O)c3ccccc3F)cc2)cc1 ZINC000016087985 569028801 /nfs/dbraw/zinc/02/88/01/569028801.db2.gz KYPVRHKWHFAOBB-UHFFFAOYSA-N -1 3 421.471 3.703 50 0 HHAAHM Cc1c(-c2ccc(Cl)cc2)nn2c1NC(=O)C2CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000090594483 569041652 /nfs/dbraw/zinc/04/16/52/569041652.db2.gz KSNVZNZCJFEDII-INIZCTEOSA-N -1 3 424.844 3.732 50 0 HHAAHM COc1ccccc1[C@H]1[C@H](C(=O)[N-]C2=NCCS2)CCC(=O)N1c1ccc(C)cc1 ZINC000013019983 569051070 /nfs/dbraw/zinc/05/10/70/569051070.db2.gz VASXCHITDUPXSW-NQIIRXRSSA-N -1 3 423.538 3.707 50 0 HHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(Cc2ccccc2)C(=O)CO3)cc1 ZINC000035887163 569064702 /nfs/dbraw/zinc/06/47/02/569064702.db2.gz FEWOWXRYYJDFGX-UHFFFAOYSA-N -1 3 422.506 3.717 50 0 HHAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C2CC2)cc1 ZINC000065021235 569154398 /nfs/dbraw/zinc/15/43/98/569154398.db2.gz SYOBFLUMKDVSFQ-UHFFFAOYSA-N -1 3 414.527 3.920 50 0 HHAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1cn(CC(C)C)c2ncccc12 ZINC000065163326 569188458 /nfs/dbraw/zinc/18/84/58/569188458.db2.gz MZBIINVPFUTQFS-UHFFFAOYSA-N -1 3 421.950 3.875 50 0 HHAAHM COc1ccc(-c2nc3c(c(=O)[n-]2)CCN(C(=O)Nc2ccc4c(c2)CCC4)C3)cc1 ZINC000065260327 569209635 /nfs/dbraw/zinc/20/96/35/569209635.db2.gz RYENJQVZLPDKNC-UHFFFAOYSA-N -1 3 416.481 3.524 50 0 HHAAHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)N1CCCCCC1 ZINC000007361773 569235283 /nfs/dbraw/zinc/23/52/83/569235283.db2.gz YYANAFMVFVOOSW-UHFFFAOYSA-N -1 3 402.516 3.577 50 0 HHAAHM CCc1cnc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)o1 ZINC000170598398 569242428 /nfs/dbraw/zinc/24/24/28/569242428.db2.gz TYAKEMZWCBWTBR-UHFFFAOYSA-N -1 3 413.499 3.585 50 0 HHAAHM COc1ccccc1-n1ncc2c1nc(SCC(=O)Nc1ccccc1C)[n-]c2=O ZINC000017135948 569275370 /nfs/dbraw/zinc/27/53/70/569275370.db2.gz SDYGQNKIROJQNS-UHFFFAOYSA-N -1 3 421.482 3.569 50 0 HHAAHM COC(=O)[C@]([N-]c1cccc(C(F)(F)F)c1)(NC(=O)OC(C)C)C(F)(F)F ZINC000002272172 569327001 /nfs/dbraw/zinc/32/70/01/569327001.db2.gz WKSPOTZQJWHWAK-ZDUSSCGKSA-N -1 3 402.291 3.684 50 0 HHAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(Nc3ccc(-n4cccn4)nn3)cc2)cc1 ZINC000013009974 569407195 /nfs/dbraw/zinc/40/71/95/569407195.db2.gz SKEODTFTYCCTFC-UHFFFAOYSA-N -1 3 420.498 3.769 50 0 HHAAHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1nccc2ccccc21 ZINC000008708704 571104370 /nfs/dbraw/zinc/10/43/70/571104370.db2.gz QCSAKZHIZHOVHC-UHFFFAOYSA-N -1 3 421.316 3.875 50 0 HHAAHM CCOC(=O)c1cc([C@]([O-])(c2nc3ccccc3s2)C(F)(F)F)sc1N ZINC000008941377 571168565 /nfs/dbraw/zinc/16/85/65/571168565.db2.gz HGNPVKBKVAPHOE-HNNXBMFYSA-N -1 3 402.419 3.915 50 0 HHAAHM Nc1[n-]n(-c2ccccc2)c(=O)c1[C@@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC000008941267 571168590 /nfs/dbraw/zinc/16/85/90/571168590.db2.gz AYNLHERCMOIVLF-QGZVFWFLSA-N -1 3 406.389 3.568 50 0 HHAAHM Cc1nnc([N-]C(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)s1 ZINC000009100647 571221175 /nfs/dbraw/zinc/22/11/75/571221175.db2.gz WTNLKCAWXNAFMT-UHFFFAOYSA-N -1 3 405.483 3.923 50 0 HHAAHM CCN1c2cc([N-]S(=O)(=O)c3ccc(C)c(C)c3)ccc2OCC(C)(C)C1=O ZINC000009170585 571233586 /nfs/dbraw/zinc/23/35/86/571233586.db2.gz HCAUJBPODVILLH-UHFFFAOYSA-N -1 3 402.516 3.876 50 0 HHAAHM Cc1ccc(-c2cc([N-]C(=O)CN(C)Cc3cnn(Cc4ccccc4)c3)on2)cc1 ZINC000009217653 571237792 /nfs/dbraw/zinc/23/77/92/571237792.db2.gz WIJOLPSZZAVITB-UHFFFAOYSA-N -1 3 415.497 3.965 50 0 HHAAHM [O-]c1cccc(C2=Nc3nc(C(F)(F)F)nn3[C@H](c3ccc4c(c3)OCCO4)C2)c1 ZINC000009463918 571260841 /nfs/dbraw/zinc/26/08/41/571260841.db2.gz CSEAYKHGLRTRHY-HNNXBMFYSA-N -1 3 416.359 3.830 50 0 HHAAHM C[C@@H]1Oc2ccc(NCc3nc(=O)c4c(-c5ccco5)csc4[n-]3)cc2NC1=O ZINC000009477530 571261720 /nfs/dbraw/zinc/26/17/20/571261720.db2.gz DZPWEXRDZBGZHM-JTQLQIEISA-N -1 3 408.439 3.576 50 0 HHAAHM C[C@H](NC(=O)c1cc(S(=O)(=O)[N-]Cc2ccco2)c(Cl)cc1Cl)C1CC1 ZINC000009515178 571264735 /nfs/dbraw/zinc/26/47/35/571264735.db2.gz NVCYALFWJPVWSP-JTQLQIEISA-N -1 3 417.314 3.593 50 0 HHAAHM COc1cc(C)ccc1OCCSc1nc(-c2ccc(C)cc2)nc2cc(=O)[n-]n21 ZINC000009640716 571275750 /nfs/dbraw/zinc/27/57/50/571275750.db2.gz BJRLTRVGMXBDGA-UHFFFAOYSA-N -1 3 422.510 3.881 50 0 HHAAHM Cc1c(C(=O)NC2CCCCCC2)sc2[n-]c(CN3CCCCC3)nc(=O)c12 ZINC000009684848 571279618 /nfs/dbraw/zinc/27/96/18/571279618.db2.gz HDAKNZHBFCEFSH-UHFFFAOYSA-N -1 3 402.564 3.732 50 0 HHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1 ZINC000009715053 571281621 /nfs/dbraw/zinc/28/16/21/571281621.db2.gz UAXGWMBQYFNMFU-UHFFFAOYSA-N -1 3 421.478 3.504 50 0 HHAAHM CN1OC[C@@H](S(=O)(=O)[N-]Cc2cccc(F)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000034738775 571316518 /nfs/dbraw/zinc/31/65/18/571316518.db2.gz WVASQQZUTSBOAC-SJORKVTESA-N -1 3 419.305 3.539 50 0 HHAAHM COc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)N3CCCCCC3)cc2)cc1 ZINC000006144245 960859297 /nfs/dbraw/zinc/85/92/97/960859297.db2.gz GTQCILPOJBZAQB-OVCLIPMQSA-N -1 3 414.527 3.912 50 0 HHAAHM O=C1[N-]C(=O)C(=CNc2ccnn2Cc2ccc(Cl)cc2Cl)c2ccccc21 ZINC000016721430 963092445 /nfs/dbraw/zinc/09/24/45/963092445.db2.gz LXPGHTBAKGJWLW-MHWRWJLKSA-N -1 3 413.264 3.961 50 0 HHAAHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 ZINC000005136051 132302412 /nfs/dbraw/zinc/30/24/12/132302412.db2.gz JDWKVEAMKGUIJX-UHFFFAOYSA-N -1 3 408.545 3.541 50 0 HHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C(C)C)CCC3)cc1C ZINC000005136575 132302825 /nfs/dbraw/zinc/30/28/25/132302825.db2.gz SSCNGIZGIKDQSN-UHFFFAOYSA-N -1 3 402.516 3.740 50 0 HHAAHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H]2CCSc3ccc(Cl)cc32)s1 ZINC000032837468 519678465 /nfs/dbraw/zinc/67/84/65/519678465.db2.gz WPZIPJMMIGDGAQ-CQSZACIVSA-N -1 3 416.977 3.553 50 0 HHAAHM CC[C@H]([N-]S(=O)(=O)c1ccc(CNC(C)=O)s1)C12CC3CC(CC(C3)C1)C2 ZINC000032718994 522680020 /nfs/dbraw/zinc/68/00/20/522680020.db2.gz CNUNAYHQRHERGA-LMFLDHGRSA-N -1 3 410.605 3.658 50 0 HHAAHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccccc1-c1ccccc1)c1cccs1 ZINC000032759529 523280545 /nfs/dbraw/zinc/28/05/45/523280545.db2.gz NAUZIFLOVHJKBU-QGZVFWFLSA-N -1 3 401.509 3.998 50 0 HHAAHM COc1ncccc1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000032755271 525043029 /nfs/dbraw/zinc/04/30/29/525043029.db2.gz HVYGDFRBTPNSEI-UHFFFAOYSA-N -1 3 417.874 3.797 50 0 HHAAHM CSc1cccc(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1 ZINC000032910452 526114714 /nfs/dbraw/zinc/11/47/14/526114714.db2.gz CRXSOESQTSYBRF-UHFFFAOYSA-N -1 3 423.523 3.974 50 0 HHAAHM Cc1nc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000032937661 526889500 /nfs/dbraw/zinc/88/95/00/526889500.db2.gz HFPZASKPRGCBOO-UHFFFAOYSA-N -1 3 404.357 3.968 50 0 HHAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)C(C)C)cc1 ZINC000005099653 535400968 /nfs/dbraw/zinc/40/09/68/535400968.db2.gz INYAUMCRTXUXPA-UHFFFAOYSA-N -1 3 402.516 3.821 50 0 HHAAHM COc1ccccc1OCc1ccc(C(=O)N2NC(C)=C[C@@]2([O-])C(F)(F)F)cc1 ZINC000000652911 557039468 /nfs/dbraw/zinc/03/94/68/557039468.db2.gz LJFJAJZRFQMHBU-LJQANCHMSA-N -1 3 408.376 3.747 50 0 HHAAHM Cn1nc(-c2ccc(S(=O)(=O)[N-]Cc3cccs3)s2)cc1C(F)(F)F ZINC000001038099 557151721 /nfs/dbraw/zinc/15/17/21/557151721.db2.gz RAHMNHJERURXOA-UHFFFAOYSA-N -1 3 407.464 3.707 50 0 HHAAHM COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1I ZINC000001051936 557160289 /nfs/dbraw/zinc/16/02/89/557160289.db2.gz HRASZOHKWJNQJK-UHFFFAOYSA-N -1 3 417.268 3.717 50 0 HHAAHM CCOC(=O)c1c2c(sc1NC(=O)[C@H]1CC(c3ccccc3[O-])=NO1)CCCC2 ZINC000001126400 557195549 /nfs/dbraw/zinc/19/55/49/557195549.db2.gz CDHSWCPLSWIFOO-MRXNPFEDSA-N -1 3 414.483 3.641 50 0 HHAAHM CCOC(=O)C1C(c2ccccc2)=NC(=O)N[C@@H]1c1cc(Cl)c([O-])c(OCC)c1 ZINC000001184950 557233178 /nfs/dbraw/zinc/23/31/78/557233178.db2.gz YYIVZPOKEZGJEU-GOSISDBHSA-N -1 3 416.861 3.773 50 0 HHAAHM CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1cc(Cl)c([O-])c(OCC)c1 ZINC000001184950 557233180 /nfs/dbraw/zinc/23/31/80/557233180.db2.gz YYIVZPOKEZGJEU-GOSISDBHSA-N -1 3 416.861 3.773 50 0 HHAAHM COC(=O)[C@@]([O-])(c1ccc(N(C)C(=O)Nc2ccc(Cl)cc2)cc1)C(F)(F)F ZINC000002027014 557299462 /nfs/dbraw/zinc/29/94/62/557299462.db2.gz LPNUZWUQTIBVFL-KRWDZBQOSA-N -1 3 416.783 3.931 50 0 HHAAHM Cc1nnc(NC(=O)CSc2nnc(-c3ccccc3[O-])n2-c2ccccc2)s1 ZINC000002869160 557414090 /nfs/dbraw/zinc/41/40/90/557414090.db2.gz RBVKADLNCHZYTH-UHFFFAOYSA-N -1 3 424.511 3.531 50 0 HHAAHM COC(=O)[C@]([O-])(c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1)C(F)(F)F ZINC000003103539 557447013 /nfs/dbraw/zinc/44/70/13/557447013.db2.gz ACFBKOIIMGLKNT-MRXNPFEDSA-N -1 3 402.756 3.907 50 0 HHAAHM CN1OC[C@H](S(=O)(=O)[N-]Cc2cccc(F)c2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000034739078 557450011 /nfs/dbraw/zinc/45/00/11/557450011.db2.gz AXXQEQGSTSFGKM-VQTJNVASSA-N -1 3 406.523 3.530 50 0 HHAAHM CCCc1ccccc1OCC[N-]S(=O)(=O)c1cc(OC)c(Cl)cc1OC ZINC000004717815 557586368 /nfs/dbraw/zinc/58/63/68/557586368.db2.gz JGMMVNYOFQYPEC-UHFFFAOYSA-N -1 3 413.923 3.667 50 0 HHAAHM CCc1cc(-c2n[nH]cc2-c2nc3ccccc3s2)c([O-])cc1OS(C)(=O)=O ZINC000005072661 557634001 /nfs/dbraw/zinc/63/40/01/557634001.db2.gz POUOGYDLQBTCNV-UHFFFAOYSA-N -1 3 415.496 3.960 50 0 HHAAHM O=C(NC(=S)Nc1ccccc1[O-])c1cccc(OCCOc2ccccc2)c1 ZINC000007497972 557743813 /nfs/dbraw/zinc/74/38/13/557743813.db2.gz HONNVEIYPCGRPY-UHFFFAOYSA-N -1 3 408.479 3.977 50 0 HHAAHM Cc1ccnn1[C@H](C)c1n[n-]c(=S)n1-c1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000002731453 557754337 /nfs/dbraw/zinc/75/43/37/557754337.db2.gz YCFPSDNJIOOQQT-QGZVFWFLSA-N -1 3 407.547 3.840 50 0 HHAAHM COc1cccc2c([C@H](C(=O)[O-])N3CCN(Cc4cccc(Cl)c4)CC3)c[nH]c21 ZINC000020732944 558407126 /nfs/dbraw/zinc/40/71/26/558407126.db2.gz JFKDYLFCWQUJCA-OAQYLSRUSA-N -1 3 413.905 3.773 50 0 HHAAHM C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)N[C@H](C)c1ccccc1 ZINC000012790809 558465296 /nfs/dbraw/zinc/46/52/96/558465296.db2.gz PZYVJWOXXFPGEQ-HUUCEWRRSA-N -1 3 419.510 3.879 50 0 HHAAHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccs2)c1 ZINC000229968154 558481809 /nfs/dbraw/zinc/48/18/09/558481809.db2.gz CXQYYROFFWGQCQ-XUVXKRRUSA-N -1 3 406.463 3.808 50 0 aggregator HHAAHM COc1ccc([O-])c(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)c1 ZINC000012978392 558492574 /nfs/dbraw/zinc/49/25/74/558492574.db2.gz AHWDLKQJOGGEAU-UHFFFAOYSA-N -1 3 411.483 3.613 50 0 HHAAHM CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000023175162 558540368 /nfs/dbraw/zinc/54/03/68/558540368.db2.gz QBHIEEWOFIKLKD-UHFFFAOYSA-N -1 3 418.462 3.892 50 0 HHAAHM C[C@@H](NCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)c1ccc2c(c1)OCCO2 ZINC000025054001 558629021 /nfs/dbraw/zinc/62/90/21/558629021.db2.gz BJENUGGOEAJBNG-GFCCVEGCSA-N -1 3 409.467 3.867 50 0 HHAAHM CCOC(=O)[C@]([N-]c1ccc(F)cc1)(NC(=O)c1ccccc1F)C(F)(F)F ZINC000003103249 558749821 /nfs/dbraw/zinc/74/98/21/558749821.db2.gz QVIWAPFAVUUKJK-KRWDZBQOSA-N -1 3 402.319 3.628 50 0 HHAAHM C[C@@H]1OP(=O)([C@H]([N-]S(=O)(=O)c2ccccc2)C(Cl)(Cl)Cl)O[C@H]1C ZINC000034132095 558773265 /nfs/dbraw/zinc/77/32/65/558773265.db2.gz YHWCSVVPGYKABM-QXEWZRGKSA-N -1 3 422.654 3.678 50 0 HHAAHM Cc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Br)cc2)n1 ZINC000013495312 558809358 /nfs/dbraw/zinc/80/93/58/558809358.db2.gz FOKGIWNKKHFKFW-LBPRGKRZSA-N -1 3 422.304 3.847 50 0 HHAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)COc2cc(Cl)c(Cl)cc2Cl)N1 ZINC000017083261 558815725 /nfs/dbraw/zinc/81/57/25/558815725.db2.gz MJNZIEAXHFFXMF-GFCCVEGCSA-N -1 3 405.587 3.885 50 0 HHAAHM O=C(CCCOc1cccc2ccccc21)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000071955752 558847236 /nfs/dbraw/zinc/84/72/36/558847236.db2.gz MEFCHGCDTAKNMD-UHFFFAOYSA-N -1 3 418.493 3.689 50 0 HHAAHM CC(C)C(=O)Nc1ccc2nc(N3CCN(C4CCCCC4)CC3)cc(C(=O)[O-])c2c1 ZINC000033260658 558926200 /nfs/dbraw/zinc/92/62/00/558926200.db2.gz RFEVIDHUKVFDES-UHFFFAOYSA-N -1 3 424.545 3.982 50 0 HHAAHM Cc1c2cc(CNC(=O)Cc3cnc(C)[n-]c3=O)ccc2[nH]c1-c1ccccc1F ZINC000077343646 559001870 /nfs/dbraw/zinc/00/18/70/559001870.db2.gz QRFXARMKWXPUSN-UHFFFAOYSA-N -1 3 404.445 3.533 50 0 HHAAHM COc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCC(C)CC2)cc1OC ZINC000023157079 559022031 /nfs/dbraw/zinc/02/20/31/559022031.db2.gz HXWVBTCEGUYRKE-QGZVFWFLSA-N -1 3 402.520 3.643 50 0 HHAAHM COc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCC(C)CC2)cc1OC ZINC000023157081 559022034 /nfs/dbraw/zinc/02/20/34/559022034.db2.gz HXWVBTCEGUYRKE-KRWDZBQOSA-N -1 3 402.520 3.643 50 0 HHAAHM CCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2s1 ZINC000033298884 559048121 /nfs/dbraw/zinc/04/81/21/559048121.db2.gz VGSURFPWBHXVAF-UHFFFAOYSA-N -1 3 424.569 3.816 50 0 HHAAHM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]Cc2ccco2)s1 ZINC000033306510 559051722 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Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)cc1 ZINC000102713094 560822940 /nfs/dbraw/zinc/82/29/40/560822940.db2.gz RAXYROGTNMRWJD-BHIFYINESA-N -1 3 400.434 3.752 50 0 HHAAHM CCOC(=O)C(=C([O-])CSc1nccn1-c1ccccc1C)c1nc(C)cs1 ZINC000102810138 560828975 /nfs/dbraw/zinc/82/89/75/560828975.db2.gz ULRXOIBUAAJVTR-QGZVFWFLSA-N -1 3 415.540 3.954 50 0 HHAAHM COc1ccc(-c2[n-]n(-c3ccccc3)c3c(O)n(-c4ccc(F)cc4)c(=O)c2-3)cc1 ZINC000103514536 560842827 /nfs/dbraw/zinc/84/28/27/560842827.db2.gz RRVQBSIBMVQEEV-RBBKRZOGSA-N -1 3 415.424 3.617 50 0 HHAAHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CCc2sccc2C1 ZINC000012216874 560892349 /nfs/dbraw/zinc/89/23/49/560892349.db2.gz KBGQRABRVQGVDO-UHFFFAOYSA-N -1 3 416.499 3.887 50 0 HHAAHM Cc1oc(-c2ccccc2)nc1CSc1nc2c(nc[n-]c2=O)n1C[C@@H]1CCCO1 ZINC000046031461 568424474 /nfs/dbraw/zinc/42/44/74/568424474.db2.gz MREZSQTUJUYEPW-HNNXBMFYSA-N -1 3 423.498 3.554 50 0 HHAAHM COc1cccc(OC)c1C([O-])=C1CC(=O)Nc2c1c(C)nn2-c1cccc(C)c1 ZINC000046057528 568426205 /nfs/dbraw/zinc/42/62/05/568426205.db2.gz RXPZYCBACULCPI-INIZCTEOSA-N -1 3 405.454 3.815 50 0 HHAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c(C)c1NS(C)(=O)=O ZINC000048286288 568436039 /nfs/dbraw/zinc/43/60/39/568436039.db2.gz VOADOQIACCFEPI-UHFFFAOYSA-N -1 3 420.915 3.577 50 0 HHAAHM O=c1[n-]n(C2CCCCCC2)c2c1[C@@H](c1ccc3c(c1)OCO3)SCC(=O)N2 ZINC000005763988 568454852 /nfs/dbraw/zinc/45/48/52/568454852.db2.gz LFUROAGGFLAUGN-GOSISDBHSA-N -1 3 401.488 3.987 50 0 HHAAHM O=C([N-]c1noc2ccccc21)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1 ZINC000012249931 568455816 /nfs/dbraw/zinc/45/58/16/568455816.db2.gz ZENAUWRPGKPLLG-UHFFFAOYSA-N -1 3 414.414 3.927 50 0 HHAAHM COc1ccc(NC(=O)CCSC)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000021877904 568472029 /nfs/dbraw/zinc/47/20/29/568472029.db2.gz PXGGAHVQTDOOMM-UHFFFAOYSA-N -1 3 414.936 3.841 50 0 HHAAHM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)cc2C[C@H]1C ZINC000020209071 568594197 /nfs/dbraw/zinc/59/41/97/568594197.db2.gz FOIPTNNHYPRYQI-LLVKDONJSA-N -1 3 414.405 3.684 50 0 HHAAHM COC(=O)C[C@@H](c1cccnc1)c1oc(CSc2ccccc2F)cc(=O)c1[O-] ZINC000095473029 568628328 /nfs/dbraw/zinc/62/83/28/568628328.db2.gz LWFODEWBAIWWBL-HNNXBMFYSA-N -1 3 415.442 3.867 50 0 HHAAHM O=C(Nc1ccc(Cl)cc1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000020848351 568644545 /nfs/dbraw/zinc/64/45/45/568644545.db2.gz VIQSTTAITVGXCO-KRWDZBQOSA-N -1 3 420.943 3.930 50 0 HHAAHM O=S(=O)([N-]CCCO[C@H]1CCCCO1)c1ccc(Cl)cc1C(F)(F)F ZINC000225547768 568649944 /nfs/dbraw/zinc/64/99/44/568649944.db2.gz FLPQBBFFIOLTSP-AWEZNQCLSA-N -1 3 401.834 3.570 50 0 HHAAHM CCCCOc1ccc(CNC(=O)[C@H]([N-]S(=O)(=O)c2cccs2)C(C)C)cc1 ZINC000021052469 568661066 /nfs/dbraw/zinc/66/10/66/568661066.db2.gz UMLTYQXRQQJXMC-LJQANCHMSA-N -1 3 424.588 3.546 50 0 HHAAHM O=C([O-])[C@@]1(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CCCN(Cc2ccccc2)C1 ZINC000095989773 568677898 /nfs/dbraw/zinc/67/78/98/568677898.db2.gz HFYFGPHBUAUSQV-FUHIMQAGSA-N -1 3 412.452 3.591 50 0 HHAAHM CC(C)C(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@@H]1c1cccc(F)c1 ZINC000096012471 568684742 /nfs/dbraw/zinc/68/47/42/568684742.db2.gz VUSFBDLJUAQEAF-LJQANCHMSA-N -1 3 403.479 3.531 50 0 HHAAHM O=c1[n-]n(C2CCSCC2)c2c1[C@H](c1cccc3cccnc31)SCC(=O)N2 ZINC000096118394 568698244 /nfs/dbraw/zinc/69/82/44/568698244.db2.gz YZCGTUQIFXSWLE-SFHVURJKSA-N -1 3 412.540 3.980 50 0 HHAAHM Cc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2ccccc2Br)n1 ZINC000096379770 568741473 /nfs/dbraw/zinc/74/14/73/568741473.db2.gz URVQEBHOJPFAQF-UHFFFAOYSA-N -1 3 411.281 3.553 50 0 HHAAHM O=C([N-]c1c2ccccc2oc1C(=O)N1CCOCC1)c1ccc(Br)o1 ZINC000018948099 568743961 /nfs/dbraw/zinc/74/39/61/568743961.db2.gz BECXUEPXDZHPFE-UHFFFAOYSA-N -1 3 419.231 3.513 50 0 HHAAHM CO[C@@](C)(C[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)c1cccc(Cl)c1 ZINC000096393002 568744691 /nfs/dbraw/zinc/74/46/91/568744691.db2.gz IHAYDNPDYLIEHP-GKCIPKSASA-N -1 3 413.967 3.516 50 0 HHAAHM O=C(Nc1ccccc1C(F)(F)F)N[C@@H](Cn1c([O-])coc1=O)c1ccccc1 ZINC000225637875 568777841 /nfs/dbraw/zinc/77/78/41/568777841.db2.gz SCTYUQABJNCPNA-HNNXBMFYSA-N -1 3 407.348 3.547 50 0 HHAAHM O=C(CSc1n[n-]c(COc2ccc(Cl)cc2)n1)NCc1ccc(F)cc1 ZINC000002646855 568795379 /nfs/dbraw/zinc/79/53/79/568795379.db2.gz IQYOJCXCOCZPEX-UHFFFAOYSA-N -1 3 406.870 3.585 50 0 HHAAHM Nc1c(Br)cc([N-]S(=O)(=O)c2ccccc2)cc1Br ZINC000002944709 568819716 /nfs/dbraw/zinc/81/97/16/568819716.db2.gz KBJJJOUIOCZWIE-UHFFFAOYSA-N -1 3 406.099 3.595 50 0 HHAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)NC3CCCCC3)cc2)cc1 ZINC000005941045 568831149 /nfs/dbraw/zinc/83/11/49/568831149.db2.gz CIFYCWSASOZGBS-UHFFFAOYSA-N -1 3 403.504 3.950 50 0 HHAAHM O=S(=O)([N-][C@H](c1cccs1)c1ccc(F)cc1)c1cccc2nsnc21 ZINC000019105888 568835200 /nfs/dbraw/zinc/83/52/00/568835200.db2.gz CWKOVSLVTHZIJR-INIZCTEOSA-N -1 3 405.501 3.960 50 0 HHAAHM CC(C)(C)c1cc([N-]C(=O)COC(=O)Cn2c3ccccc3nc2C(F)(F)F)on1 ZINC000012556553 568855763 /nfs/dbraw/zinc/85/57/63/568855763.db2.gz NQOWUDLZZZRSRN-UHFFFAOYSA-N -1 3 424.379 3.523 50 0 HHAAHM O=C(NCc1ccco1)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000003446473 568859721 /nfs/dbraw/zinc/85/97/21/568859721.db2.gz ZYBIHIMVZCVRHJ-UHFFFAOYSA-N -1 3 408.838 3.803 50 0 HHAAHM CN1C(=S)N(C)[C@](O)(C(F)(F)F)C(=C([O-])c2ccccc2)[C@H]1c1ccccc1 ZINC000012699545 568916980 /nfs/dbraw/zinc/91/69/80/568916980.db2.gz OWWAMICVOITCEG-GPMSIDNRSA-N -1 3 408.445 3.640 50 0 HHAAHM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc3nc(Cl)sc3c2)o1 ZINC000083825401 568917778 /nfs/dbraw/zinc/91/77/78/568917778.db2.gz ORVXZILNXPGOQA-ZDUSSCGKSA-N -1 3 400.909 3.771 50 0 HHAAHM CC(C)(C)c1ccc(C(=O)[N-]C(=O)CCSc2nnnn2C2CCCC2)cc1 ZINC000012741106 568929224 /nfs/dbraw/zinc/92/92/24/568929224.db2.gz UNFQHNSNCMZYPH-UHFFFAOYSA-N -1 3 401.536 3.525 50 0 HHAAHM COc1ccc([C@H]2CCCCCN2C(=O)CCn2[n-]c(=O)c3ccccc3c2=O)cc1 ZINC000012749706 568937533 /nfs/dbraw/zinc/93/75/33/568937533.db2.gz HVASXDJDQHSALK-OAQYLSRUSA-N -1 3 421.497 3.645 50 0 HHAAHM COc1cc(F)c(S(=O)(=O)[N-]C[C@@H](C)c2nc3ccccc3s2)cc1OC ZINC000084640062 568954117 /nfs/dbraw/zinc/95/41/17/568954117.db2.gz VRVCZLGSCHFOAW-LLVKDONJSA-N -1 3 410.492 3.535 50 0 HHAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(N(C)C)nc(C)n3)cc2)cc1 ZINC000015671325 568961851 /nfs/dbraw/zinc/96/18/51/568961851.db2.gz LQSWOBXNLRRMDE-UHFFFAOYSA-N -1 3 411.531 3.958 50 0 HHAAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3c(C)noc3C)ccc2C)cc1 ZINC000008074066 568971938 /nfs/dbraw/zinc/97/19/38/568971938.db2.gz VYGRDVFNFXYGHY-UHFFFAOYSA-N -1 3 415.471 3.662 50 0 HHAAHM O=c1nc(CSc2nnnn2C2CC2)[n-]c2scc(-c3ccc(Cl)cc3)c21 ZINC000012854023 569010810 /nfs/dbraw/zinc/01/08/10/569010810.db2.gz HQFIJMARVZVOCJ-UHFFFAOYSA-N -1 3 416.919 3.919 50 0 HHAAHM CCO[N-]C(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc21 ZINC000012886723 569019533 /nfs/dbraw/zinc/01/95/33/569019533.db2.gz JSJYFPYLFKZSCQ-UHFFFAOYSA-N -1 3 400.862 3.910 50 0 HHAAHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)c1 ZINC000135896171 569053657 /nfs/dbraw/zinc/05/36/57/569053657.db2.gz QFVMNMQOBFOZIG-FDFHNCONSA-N -1 3 400.434 3.752 50 0 HHAAHM O=S(=O)([N-]C[C@H](c1ccco1)N1CCCCC1)c1ccccc1C(F)(F)F ZINC000006541464 569064762 /nfs/dbraw/zinc/06/47/62/569064762.db2.gz BAWREIHLGHZRQT-OAHLLOKOSA-N -1 3 402.438 3.804 50 0 HHAAHM O=C(CC[N-]S(=O)(=O)c1ccccc1C(F)(F)F)Nc1ccc(Cl)cc1 ZINC000006650133 569080531 /nfs/dbraw/zinc/08/05/31/569080531.db2.gz SWEFOKMCDUXANS-UHFFFAOYSA-N -1 3 406.813 3.666 50 0 HHAAHM O=C(c1ccccc1)N1CCC(CC[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000065007463 569152966 /nfs/dbraw/zinc/15/29/66/569152966.db2.gz VJWQKAWQXVVSNW-UHFFFAOYSA-N -1 3 412.964 3.622 50 0 HHAAHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C(C)C)cc1 ZINC000065020964 569154287 /nfs/dbraw/zinc/15/42/87/569154287.db2.gz OROMRWZOTFBPEA-UHFFFAOYSA-N -1 3 402.516 3.776 50 0 HHAAHM Cc1cc(Cl)ccc1OCc1ccc(C(=O)N2NC=C[C@@]2([O-])C(F)(F)F)o1 ZINC000006922159 569182627 /nfs/dbraw/zinc/18/26/27/569182627.db2.gz OMDCCWHFSMXMLN-MRXNPFEDSA-N -1 3 402.756 3.903 50 0 HHAAHM COc1ccc2cc(NC(=O)c3cc(=O)c(OCc4ccccc4)c[n-]3)cnc2c1 ZINC000524735032 569213830 /nfs/dbraw/zinc/21/38/30/569213830.db2.gz PHDXLSNBNXNPOU-UHFFFAOYSA-N -1 3 401.422 3.763 50 0 HHAAHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2ccc(-n3cccc3)nc2)CC1 ZINC000089878826 569267553 /nfs/dbraw/zinc/26/75/53/569267553.db2.gz VKMKMOTZGKOHPP-UHFFFAOYSA-N -1 3 424.888 3.722 50 0 HHAAHM Cc1ccn(-c2ccc(Nc3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)nn2)n1 ZINC000013010026 569407254 /nfs/dbraw/zinc/40/72/54/569407254.db2.gz YQKWMZHVCLKMJA-UHFFFAOYSA-N -1 3 424.461 3.654 50 0 HHAAHM CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1nnc([N-]C(=O)c2cccs2)s1 ZINC000008588116 571084238 /nfs/dbraw/zinc/08/42/38/571084238.db2.gz MFTBYQZPDGCVEL-UHFFFAOYSA-N -1 3 422.557 3.684 50 0 HHAAHM O=C([N-]n1c(=O)c2ccccc2nc1-c1ccc(Br)cc1)c1ccncc1 ZINC000008660802 571099517 /nfs/dbraw/zinc/09/95/17/571099517.db2.gz TXMYPRVOYJQOOT-UHFFFAOYSA-N -1 3 421.254 3.605 50 0 HHAAHM [O-][C@@]1(C(F)(F)F)C2=C(NN1c1nc(-c3cccnc3)cs1)c1ccccc1OC2 ZINC000008777801 571118211 /nfs/dbraw/zinc/11/82/11/571118211.db2.gz FVGURTNJRHWURG-SCLBCKFNSA-N -1 3 418.400 3.689 50 0 HHAAHM O=C(Nc1cccc(C(F)(F)F)c1)c1cc(=O)n(-c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000008781966 571119223 /nfs/dbraw/zinc/11/92/23/571119223.db2.gz YEARVYNBKLBPMB-UHFFFAOYSA-N -1 3 409.751 3.863 50 0 HHAAHM O=C(CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)Nc1cccc(Cl)c1 ZINC000040135414 571188429 /nfs/dbraw/zinc/18/84/29/571188429.db2.gz HGJBAUMJQDIIIP-UHFFFAOYSA-N -1 3 422.312 3.988 50 0 HHAAHM CCN1c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3C)cc2OCC(C)(C)C1=O ZINC000009166491 571232931 /nfs/dbraw/zinc/23/29/31/571232931.db2.gz WZMLAHBJVOQFHO-UHFFFAOYSA-N -1 3 418.515 3.576 50 0 HHAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1C ZINC000009170149 571233644 /nfs/dbraw/zinc/23/36/44/571233644.db2.gz RQXNOZAHUYSAGZ-UHFFFAOYSA-N -1 3 418.515 3.576 50 0 HHAAHM CS(=O)(=O)c1ccc(-c2nnc([N-]C(=O)c3cc(Cl)ccc3Cl)o2)cc1 ZINC000009346755 571250266 /nfs/dbraw/zinc/25/02/66/571250266.db2.gz KFGWRHXLNSBJNE-UHFFFAOYSA-N -1 3 412.254 3.699 50 0 HHAAHM O=C(Nc1ccc(C(=O)OCc2nc3ccsc3c(=O)[n-]2)cc1)c1cccs1 ZINC000009414873 571256086 /nfs/dbraw/zinc/25/60/86/571256086.db2.gz IAWOVEWJQFTNHQ-UHFFFAOYSA-N -1 3 411.464 3.655 50 0 HHAAHM Cc1ccc(C)c(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000009426967 571257794 /nfs/dbraw/zinc/25/77/94/571257794.db2.gz PICVUJWMTUDMGY-GFCCVEGCSA-N -1 3 401.315 3.916 50 0 HHAAHM COc1cc(C)ccc1OCCSc1nc(-c2ccccc2C)nc2cc(=O)[n-]n21 ZINC000009640631 571275651 /nfs/dbraw/zinc/27/56/51/571275651.db2.gz QOMIPEJDOPCKSD-UHFFFAOYSA-N -1 3 422.510 3.881 50 0 HHAAHM O=C(Nc1ccc(F)c(F)c1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000009673335 571278745 /nfs/dbraw/zinc/27/87/45/571278745.db2.gz ZTHCQKKAZPIUCO-KRWDZBQOSA-N -1 3 422.478 3.555 50 0 HHAAHM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]C3CCCCCCC3)s2)on1 ZINC000009688780 571280162 /nfs/dbraw/zinc/28/01/62/571280162.db2.gz IAKQUFXOIYSFHE-UHFFFAOYSA-N -1 3 412.533 3.971 50 0 HHAAHM O=C(N[C@@H]1CCSc2ccccc21)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000009834664 571287723 /nfs/dbraw/zinc/28/77/23/571287723.db2.gz GMLPWDJSBAQPKK-MRXNPFEDSA-N -1 3 422.959 3.748 50 0 HHAAHM C=C1c2ccccc2N=C(S[C@@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)N1C ZINC000009862828 571288759 /nfs/dbraw/zinc/28/87/59/571288759.db2.gz NDRPTWFAEWZMFB-AWEZNQCLSA-N -1 3 415.540 3.966 50 0 HHAAHM CN1OC[C@H](S(=O)(=O)[N-]Cc2cccc(F)c2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000105049479 571314314 /nfs/dbraw/zinc/31/43/14/571314314.db2.gz WVASQQZUTSBOAC-IRXDYDNUSA-N -1 3 419.305 3.539 50 0 HHAAHM COC(=O)C1=C(Nc2cccc(F)c2)SC(=Cc2ccc([O-])cc2OC)C1=O ZINC000036257426 571317473 /nfs/dbraw/zinc/31/74/73/571317473.db2.gz UKLWVXJLDNOLRK-LZYBPNLTSA-N -1 3 401.415 3.693 50 0 HHAAHM COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccc([O-])c(Cl)c3)N3CCC[C@@]23C1=O ZINC000012299151 962267403 /nfs/dbraw/zinc/26/74/03/962267403.db2.gz FPVFUTWVQPGHPI-LTMIRXACSA-N -1 3 412.917 3.992 50 0 HHAAHM CCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc1OC ZINC000045528919 967489043 /nfs/dbraw/zinc/48/90/43/967489043.db2.gz UQIHNMCXMWCHKZ-RIYZIHGNSA-N -1 3 402.244 3.667 50 0 HHAAHM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000000627129 132229192 /nfs/dbraw/zinc/22/91/92/132229192.db2.gz YZBKDVLJTLRZKR-DHIUTWEWSA-N -1 3 419.525 3.614 50 0 HHAAHM CC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)[N-]c2nnc(C3CC3)s2)s1 ZINC000044920192 519471066 /nfs/dbraw/zinc/47/10/66/519471066.db2.gz KTTMKFGTPZKXEH-UHFFFAOYSA-N -1 3 413.528 3.986 50 0 HHAAHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1cccc(OC)c1 ZINC000032759398 520839942 /nfs/dbraw/zinc/83/99/42/520839942.db2.gz IPVDHDWVKHKXMX-SFHVURJKSA-N -1 3 414.930 3.849 50 0 HHAAHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1cccc(OC)c1 ZINC000032759401 520868722 /nfs/dbraw/zinc/86/87/22/520868722.db2.gz IPVDHDWVKHKXMX-GOSISDBHSA-N -1 3 414.930 3.849 50 0 HHAAHM CCOc1ccc([C@@H](NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c2ccccc2)cc1 ZINC000032914782 521231108 /nfs/dbraw/zinc/23/11/08/521231108.db2.gz DZDWWUNYHZVZFN-QFIPXVFZSA-N -1 3 424.522 3.976 50 0 HHAAHM CCOc1ccccc1N1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(OC)cc32)CC1 ZINC000032096940 521518284 /nfs/dbraw/zinc/51/82/84/521518284.db2.gz OPGHMMVJWSVNGX-JOCHJYFZSA-N -1 3 409.486 3.523 50 0 HHAAHM Cc1cccc(NC(=O)C2CCN(Cn3nc(-c4ccccc4)[n-]c3=S)CC2)n1 ZINC000040149143 524582375 /nfs/dbraw/zinc/58/23/75/524582375.db2.gz MZYQOFKKRXZTOO-UHFFFAOYSA-N -1 3 408.531 3.619 50 0 HHAAHM Cc1nc2ccccc2nc1N1CCN([C@@H](C(=O)[O-])c2c[nH]c3cc(F)ccc32)CC1 ZINC000032073601 527173146 /nfs/dbraw/zinc/17/31/46/527173146.db2.gz MPRJRTBZEOSVKZ-OAQYLSRUSA-N -1 3 419.460 3.507 50 0 HHAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(COc3ccc(Cl)cc3)o2)N1 ZINC000000653283 557039763 /nfs/dbraw/zinc/03/97/63/557039763.db2.gz ULGUSPCLDUIBGD-INIZCTEOSA-N -1 3 402.756 3.985 50 0 HHAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)N1 ZINC000000653356 557039880 /nfs/dbraw/zinc/03/98/80/557039880.db2.gz FZMQSNAZSRPBEY-IBGZPJMESA-N -1 3 408.376 3.820 50 0 HHAAHM COc1cc(C(=O)[N-]c2nnc(C(C)C)s2)c(Br)c(OC)c1OC ZINC000000943765 557122282 /nfs/dbraw/zinc/12/22/82/557122282.db2.gz FSUSNJURARBXJZ-UHFFFAOYSA-N -1 3 416.297 3.702 50 0 HHAAHM COc1ccc(/C=C/C(=O)NC(=S)Nc2cc(Br)ccc2[O-])cc1 ZINC000001209094 557242702 /nfs/dbraw/zinc/24/27/02/557242702.db2.gz XSZXZZYXVFTKKK-RUDMXATFSA-N -1 3 407.289 3.690 50 0 HHAAHM CCOC(=O)[C@]([O-])(c1ccc(N(CC)C(=O)c2cccc(F)c2)cc1)C(F)(F)F ZINC000002058449 557303276 /nfs/dbraw/zinc/30/32/76/557303276.db2.gz ZHJVEVKTWCQOBE-LJQANCHMSA-N -1 3 413.367 3.805 50 0 HHAAHM CCOC(=O)N[C@]([N-]c1cccc(C(F)(F)F)c1)(C(=O)OCC)C(F)(F)F ZINC000002344709 557338776 /nfs/dbraw/zinc/33/87/76/557338776.db2.gz OARKSROYUOEQQC-CYBMUJFWSA-N -1 3 402.291 3.685 50 0 HHAAHM Cc1ccc(C([O-])=C2[C@@H](c3ccc(Cl)cc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000004163845 557522753 /nfs/dbraw/zinc/52/27/53/557522753.db2.gz UOSHCSGYPPXMJU-HDMKZQKVSA-N -1 3 412.795 3.752 50 0 HHAAHM O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000006241361 557695707 /nfs/dbraw/zinc/69/57/07/557695707.db2.gz UZSVXFUNWHPXDH-UHFFFAOYSA-N -1 3 400.431 3.644 50 0 HHAAHM Cc1cc(C)cc(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1 ZINC000002717773 557750810 /nfs/dbraw/zinc/75/08/10/557750810.db2.gz KLCICOGVRIDTLL-UHFFFAOYSA-N -1 3 405.483 3.869 50 0 HHAAHM C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012795515 558468417 /nfs/dbraw/zinc/46/84/17/558468417.db2.gz RCVBHTHJTHRWRG-ZDUSSCGKSA-N -1 3 419.884 3.862 50 0 HHAAHM COC(=O)c1ccc(OCC(=O)[N-]c2cc(C(C)(C)C)no2)c(Br)c1 ZINC000012973231 558489765 /nfs/dbraw/zinc/48/97/65/558489765.db2.gz VQYHNSCENMGCNP-UHFFFAOYSA-N -1 3 411.252 3.539 50 0 HHAAHM Cc1c(-c2cc(C(=O)[N-]c3sc4c(c3C(=O)OC(C)C)CCC4)on2)cnn1C ZINC000013641860 558555722 /nfs/dbraw/zinc/55/57/22/558555722.db2.gz QVQVJQXPUMPROT-UHFFFAOYSA-N -1 3 414.487 3.751 50 0 HHAAHM Cc1ccc(C)c(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000013856357 558598452 /nfs/dbraw/zinc/59/84/52/558598452.db2.gz PICVUJWMTUDMGY-LBPRGKRZSA-N -1 3 401.315 3.916 50 0 HHAAHM COc1ccc(CC(=O)[N-]O[C@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)cc1OC ZINC000072281165 558706712 /nfs/dbraw/zinc/70/67/12/558706712.db2.gz MNTJTYVOTGGTDC-CQSZACIVSA-N -1 3 420.893 3.592 50 0 HHAAHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2ccccc2COc2ccccc2)CC1 ZINC000030660863 558735417 /nfs/dbraw/zinc/73/54/17/558735417.db2.gz CIHKMLUXHSXGHW-UHFFFAOYSA-N -1 3 416.477 3.569 50 0 HHAAHM CCCN1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)[O-])CC1 ZINC000033078609 558868117 /nfs/dbraw/zinc/86/81/17/558868117.db2.gz DJWKCGFLMZYDPY-UHFFFAOYSA-N -1 3 401.894 3.823 50 0 HHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCCCC3)c(C)c2)cc1 ZINC000004741123 559044198 /nfs/dbraw/zinc/04/41/98/559044198.db2.gz WGTSANJDMCGYKG-UHFFFAOYSA-N -1 3 416.543 3.886 50 0 HHAAHM CCN(CC)c1ccc(NC(=O)[C@@H]([N-]S(=O)(=O)c2cccs2)C(C)C)c(C)c1 ZINC000004787557 559064305 /nfs/dbraw/zinc/06/43/05/559064305.db2.gz UHQYZDNAZCKRGM-IBGZPJMESA-N -1 3 423.604 3.844 50 0 HHAAHM CCCc1cc(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)sc1C ZINC000011450208 559076629 /nfs/dbraw/zinc/07/66/29/559076629.db2.gz JFEXIWZNBKMBFU-UHFFFAOYSA-N -1 3 412.602 3.654 50 0 HHAAHM CC(=O)c1sc2[n-]c(CSc3nnc(C4CC4)n3C3CC3)nc(=O)c2c1C ZINC000005165976 559281363 /nfs/dbraw/zinc/28/13/63/559281363.db2.gz KSCWPGLYVISHDO-UHFFFAOYSA-N -1 3 401.517 3.592 50 0 HHAAHM Cc1ccc(NCc2cc(=O)n3nc(NCc4ccc(F)cc4)[n-]c3n2)cc1Cl ZINC000101796584 560801650 /nfs/dbraw/zinc/80/16/50/560801650.db2.gz JMHSCSJEFILCFL-UHFFFAOYSA-N -1 3 412.856 3.743 50 0 HHAAHM COc1ccc([C@@H]2[N-]c3nonc3N=C3CC(C)(C)CC(=O)C32)c(OC)c1OC ZINC000102740968 560823524 /nfs/dbraw/zinc/82/35/24/560823524.db2.gz HNAIDZNVLFMTCB-HNNXBMFYSA-N -1 3 400.435 3.967 50 0 HHAAHM COc1ccc(-c2[n-]n(-c3ccccc3)c3c(O)n(-c4ccccc4F)c(=O)c2-3)cc1 ZINC000103530388 560842523 /nfs/dbraw/zinc/84/25/23/560842523.db2.gz DRKRIHLARXGZMC-UNMCSNQZSA-N -1 3 415.424 3.617 50 0 HHAAHM O=S(=O)([N-]C[C@H](c1ccccc1Cl)N1CCCC1)c1cc(F)cc(F)c1 ZINC000048279263 568435935 /nfs/dbraw/zinc/43/59/35/568435935.db2.gz NKFIRMGBYAKXKG-GOSISDBHSA-N -1 3 400.878 3.734 50 0 HHAAHM Cc1cc(C)c(-c2csc(NC(=O)Cn3[n-]c(=O)c4ccccc4c3=O)n2)c(C)c1 ZINC000024783399 568463180 /nfs/dbraw/zinc/46/31/80/568463180.db2.gz VYDWBWSEJDQJTQ-UHFFFAOYSA-N -1 3 420.494 3.790 50 0 HHAAHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)c(F)cc1F ZINC000024428297 568511488 /nfs/dbraw/zinc/51/14/88/568511488.db2.gz IPBPLRPDFOBJQK-UHFFFAOYSA-N -1 3 420.231 3.623 50 0 HHAAHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCCc2ccc(F)cc2)ccc1Cl ZINC000027025135 568562588 /nfs/dbraw/zinc/56/25/88/568562588.db2.gz VFJDDSNNSZQYTD-UHFFFAOYSA-N -1 3 412.914 3.528 50 0 HHAAHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)NCC2(c3ccc(F)cc3)CC2)c1 ZINC000095456828 568618037 /nfs/dbraw/zinc/61/80/37/568618037.db2.gz JOXUSQTYTQVUIZ-UHFFFAOYSA-N -1 3 409.417 3.542 50 0 HHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2ccccc2OCc2ccccc2Cl)S1 ZINC000020896102 568649093 /nfs/dbraw/zinc/64/90/93/568649093.db2.gz BCFRIFYYMHBLSU-GOSISDBHSA-N -1 3 403.891 3.920 50 0 HHAAHM O=C([N-]c1nnc(SCc2cc(=O)c3cccc(F)c3[nH]2)s1)c1ccco1 ZINC000021099303 568666216 /nfs/dbraw/zinc/66/62/16/568666216.db2.gz GYNYXEAWFXASFG-UHFFFAOYSA-N -1 3 402.432 3.656 50 0 HHAAHM O=S(=O)([N-]CCc1nc2cccnc2n1C1CCCCC1)c1ccc(F)c(F)c1 ZINC000021155587 568673547 /nfs/dbraw/zinc/67/35/47/568673547.db2.gz KAKWLBCCJDUYMV-UHFFFAOYSA-N -1 3 420.485 3.736 50 0 HHAAHM O=S(=O)([N-]Cc1csc(Br)c1)c1ccc(Br)s1 ZINC000030444847 568675595 /nfs/dbraw/zinc/67/55/95/568675595.db2.gz OKTGLHRPBCJFNA-UHFFFAOYSA-N -1 3 417.169 3.813 50 0 HHAAHM C[C@@H](OC(=O)C=Cc1ccccc1Cl)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000096401300 568750165 /nfs/dbraw/zinc/75/01/65/568750165.db2.gz LCDIYNGBTXSRGO-KIWPFMIBSA-N -1 3 407.875 3.539 50 0 HHAAHM COc1cc(C)ccc1OC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000022403733 568767291 /nfs/dbraw/zinc/76/72/91/568767291.db2.gz WGGQSQINWQZCGC-UHFFFAOYSA-N -1 3 411.907 3.953 50 0 HHAAHM O=C1[C@@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccncc1 ZINC000230035778 568803076 /nfs/dbraw/zinc/80/30/76/568803076.db2.gz PUFCLNNYRLZNST-XUVXKRRUSA-N -1 3 405.841 3.786 50 0 HHAAHM CCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]Cc3ccco3)c2)cc1 ZINC000003022236 568840532 /nfs/dbraw/zinc/84/05/32/568840532.db2.gz FXMUSMOGHCMOTA-UHFFFAOYSA-N -1 3 402.447 3.712 50 0 HHAAHM COc1ccc(C2=NN(C(=O)COC(=O)c3ccc([O-])cc3)[C@@H](c3ccco3)C2)cc1 ZINC000012623344 568877696 /nfs/dbraw/zinc/87/76/96/568877696.db2.gz BPQBKDUEGNFMRC-HXUWFJFHSA-N -1 3 420.421 3.529 50 0 HHAAHM Cc1ccc(-n2c(=O)c([C@@H]3NCCc4c5ccccc5[nH]c43)c([O-])[nH]c2=S)c(C)c1 ZINC000001323531 568914974 /nfs/dbraw/zinc/91/49/74/568914974.db2.gz BFOQNOORBQFZBV-FQEVSTJZSA-N -1 3 418.522 3.560 50 0 biogenic HHAAHM CCN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C[C@H]1COc2ccccc2O1 ZINC000031174087 568917138 /nfs/dbraw/zinc/91/71/38/568917138.db2.gz AUZSPIXSQWDAME-AWEZNQCLSA-N -1 3 423.494 3.907 50 0 HHAAHM Cc1ccccc1NC(=O)CSc1nc2ccc([N-]S(C)(=O)=O)cc2s1 ZINC000015669757 568961197 /nfs/dbraw/zinc/96/11/97/568961197.db2.gz CQFWVFOKRNZYIZ-UHFFFAOYSA-N -1 3 407.542 3.707 50 0 HHAAHM CC[C@@]1(c2ccc(F)cc2)[N-]C(=O)N(Cc2c(F)c(F)c(F)c(F)c2F)C1=O ZINC000008187907 568980667 /nfs/dbraw/zinc/98/06/67/568980667.db2.gz FZEWSWDJBUWKKW-SFHVURJKSA-N -1 3 402.294 3.879 50 0 HHAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000012816415 568989956 /nfs/dbraw/zinc/98/99/56/568989956.db2.gz QTFYVTNDHUXRSD-CQSZACIVSA-N -1 3 422.450 3.588 50 0 HHAAHM CCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc21 ZINC000015781496 569002720 /nfs/dbraw/zinc/00/27/20/569002720.db2.gz FSIOUTDSPQHHDX-UHFFFAOYSA-N -1 3 422.572 3.515 50 0 HHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cccc(OC(=O)c3ccccc3Cl)c2)S1 ZINC000015833042 569012796 /nfs/dbraw/zinc/01/27/96/569012796.db2.gz IRFLAZSRNGHNFI-QGZVFWFLSA-N -1 3 417.874 3.560 50 0 HHAAHM Cc1cc(C)n2nc(C(=O)[N-]c3nc(-c4ccc5c(c4)CCCC5)cs3)nc2n1 ZINC000006216917 569033305 /nfs/dbraw/zinc/03/33/05/569033305.db2.gz QXURPUVOLLWGGY-UHFFFAOYSA-N -1 3 404.499 3.996 50 0 HHAAHM CCOc1ccccc1NC(=O)CSc1nnc([N-]C(=O)c2ccco2)s1 ZINC000035586486 569046127 /nfs/dbraw/zinc/04/61/27/569046127.db2.gz ZIBNFMCSPYELBP-UHFFFAOYSA-N -1 3 404.473 3.513 50 0 HHAAHM COc1cccc(OCc2cccc(C(=O)N3NC(C)=C[C@@]3([O-])C(F)(F)F)c2)c1 ZINC000006394517 569046544 /nfs/dbraw/zinc/04/65/44/569046544.db2.gz SRVSAJTWYMHBCK-LJQANCHMSA-N -1 3 408.376 3.747 50 0 HHAAHM CCCCNC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OCC)cc2)ccc1OC ZINC000006623372 569075057 /nfs/dbraw/zinc/07/50/57/569075057.db2.gz NOYOQZDFQCRFLA-UHFFFAOYSA-N -1 3 421.519 3.816 50 0 HHAAHM COc1cccc(-c2cc(C(F)(F)F)nc(N3NC=C[C@]3([O-])C(F)(F)F)n2)c1 ZINC000006848382 569153678 /nfs/dbraw/zinc/15/36/78/569153678.db2.gz TWANOIZBXKFABS-AWEZNQCLSA-N -1 3 406.286 3.618 50 0 HHAAHM COc1ccc(-c2cc(C(F)(F)F)nc(N3NC=C[C@]3([O-])C(F)(F)F)n2)cc1 ZINC000006846374 569153692 /nfs/dbraw/zinc/15/36/92/569153692.db2.gz GUUIPTVACNQHIN-AWEZNQCLSA-N -1 3 406.286 3.618 50 0 HHAAHM CCc1csc(-c2csc(S(=O)(=O)[N-]Cc3cc(OC)ccc3OC)c2)n1 ZINC000065116815 569179947 /nfs/dbraw/zinc/17/99/47/569179947.db2.gz LAWJMFNRMUXSBQ-UHFFFAOYSA-N -1 3 424.569 3.930 50 0 HHAAHM O=C(C1CCC1)N1CCc2sc(S(=O)(=O)[N-]Cc3cccc(Cl)c3)cc2C1 ZINC000065196292 569194642 /nfs/dbraw/zinc/19/46/42/569194642.db2.gz SPFSAYMCHPWZHA-UHFFFAOYSA-N -1 3 424.975 3.565 50 0 HHAAHM CCOC(=O)[C@]([N-]c1cccc(F)c1)(NC(=O)OCc1ccccc1)C(F)(F)F ZINC000006995574 569197161 /nfs/dbraw/zinc/19/71/61/569197161.db2.gz YYLAJWRCYFGLFC-SFHVURJKSA-N -1 3 414.355 3.986 50 0 HHAAHM O=S(=O)([N-]CCCCN1CCO[C@@H](c2ccccc2)C1)c1ccc(Cl)s1 ZINC000036700408 569222893 /nfs/dbraw/zinc/22/28/93/569222893.db2.gz QFZMRMLGYRXQIP-MRXNPFEDSA-N -1 3 414.980 3.534 50 0 HHAAHM C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1)c1ccc(Cl)cc1 ZINC000007313059 569232850 /nfs/dbraw/zinc/23/28/50/569232850.db2.gz CBGQLYLOVCDMIP-NSHDSACASA-N -1 3 413.326 3.925 50 0 HHAAHM COc1cccc(-c2nsc([N-]C(=O)c3cc(S(C)(=O)=O)ccc3Cl)n2)c1 ZINC000170620987 569248826 /nfs/dbraw/zinc/24/88/26/569248826.db2.gz YTSJUSYZKZGJJX-UHFFFAOYSA-N -1 3 423.903 3.523 50 0 HHAAHM Cc1nc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c2n1CCCC2 ZINC000089708961 569262848 /nfs/dbraw/zinc/26/28/48/569262848.db2.gz NJHBYTRTGJUJFH-UHFFFAOYSA-N -1 3 407.845 3.679 50 0 HHAAHM Cc1cc(S(=O)(=O)[N-]Cc2cc(-c3cccnc3)nn2C)c(Cl)cc1Cl ZINC000253472474 569381264 /nfs/dbraw/zinc/38/12/64/569381264.db2.gz MPEWRKJXWXOJQU-UHFFFAOYSA-N -1 3 411.314 3.576 50 0 HHAAHM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000039560410 571133192 /nfs/dbraw/zinc/13/31/92/571133192.db2.gz IDONBJFWQZJWSV-LBPRGKRZSA-N -1 3 416.877 3.506 50 0 HHAAHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)Nc3cccc(SC)c3)cc(C(C)C)nc21 ZINC000040063249 571148021 /nfs/dbraw/zinc/14/80/21/571148021.db2.gz DGHGMGYJBIOGOW-UHFFFAOYSA-N -1 3 412.515 3.592 50 0 HHAAHM C[C@]1(c2cccc(NC(=O)c3ccccc3CCc3ccccc3)c2)NC(=O)[N-]C1=O ZINC000040117758 571174844 /nfs/dbraw/zinc/17/48/44/571174844.db2.gz WYDCRZFTJVRZDQ-RUZDIDTESA-N -1 3 413.477 3.779 50 0 HHAAHM Cc1oc(C(=O)[N-]c2nc3c(cccc3C)s2)cc1S(=O)(=O)N1CCCC1 ZINC000040129383 571180393 /nfs/dbraw/zinc/18/03/93/571180393.db2.gz UJSMLQDMVORIIK-UHFFFAOYSA-N -1 3 405.501 3.543 50 0 HHAAHM C[C@@H](Oc1ccc(C(=O)N(C)Cc2nc3ccsc3c(=O)[n-]2)cn1)c1ccccc1 ZINC000040145208 571195619 /nfs/dbraw/zinc/19/56/19/571195619.db2.gz OHIVPKIQIDABAX-CQSZACIVSA-N -1 3 420.494 3.792 50 0 HHAAHM CCC(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc(OCC(C)C)cc3)cc2C1 ZINC000008977024 571197817 /nfs/dbraw/zinc/19/78/17/571197817.db2.gz MBYARTHUHAROIO-UHFFFAOYSA-N -1 3 416.543 3.817 50 0 HHAAHM Cc1cc(C)n2c(nnc2SCc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)n1 ZINC000009376416 571252836 /nfs/dbraw/zinc/25/28/36/571252836.db2.gz SRLAEKXNHIRVAR-UHFFFAOYSA-N -1 3 420.523 3.998 50 0 HHAAHM Cc1ccc(-c2csc3[n-]c(CSc4nc5ncccn5n4)nc(=O)c23)s1 ZINC000010074774 571294887 /nfs/dbraw/zinc/29/48/87/571294887.db2.gz BHURUSILJQFMEO-UHFFFAOYSA-N -1 3 412.525 3.752 50 0 HHAAHM Cc1ccc(S(=O)(=O)[N-]c2cc(-n3c(C)nc4ccccc4c3=O)ccc2F)cc1 ZINC000010186573 571295972 /nfs/dbraw/zinc/29/59/72/571295972.db2.gz ZOCGCEZGABBENF-UHFFFAOYSA-N -1 3 423.469 3.942 50 0 HHAAHM CCOc1ccc([N-]S(=O)(=O)c2cc(-c3ccc4nnc(C)n4n3)ccc2C)cc1 ZINC000035511185 571316879 /nfs/dbraw/zinc/31/68/79/571316879.db2.gz AZIHSZJSKZYGPB-UHFFFAOYSA-N -1 3 423.498 3.608 50 0 HHAAHM COc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)N3CCCCCC3)cc2)cc1 ZINC000006678658 960941348 /nfs/dbraw/zinc/94/13/48/960941348.db2.gz GTQCILPOJBZAQB-NVNXTCNLSA-N -1 3 414.527 3.912 50 0 HHAAHM CCOc1ccc(C(=O)C[C@H](C(=O)[O-])N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000004054256 132270437 /nfs/dbraw/zinc/27/04/37/132270437.db2.gz DJCLDNYNWJCHPZ-HXUWFJFHSA-N -1 3 416.905 3.587 50 0 HHAAHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(C)o2)c(Br)c1 ZINC000032770679 521528791 /nfs/dbraw/zinc/52/87/91/521528791.db2.gz GBBTXNIPJXXDQP-LLVKDONJSA-N -1 3 416.293 3.567 50 0 HHAAHM COc1ccc(-c2c[nH]nc2-c2ccc(OCCN3C[C@@H](C)O[C@H](C)C3)cc2[O-])cc1 ZINC000020591625 523081154 /nfs/dbraw/zinc/08/11/54/523081154.db2.gz PECWLVBNTYMCNI-IAGOWNOFSA-N -1 3 423.513 3.946 50 0 HHAAHM C[C@H](Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C(=O)N1CCCCCC1 ZINC000032810899 525657914 /nfs/dbraw/zinc/65/79/14/525657914.db2.gz LFACHULIOTXUJJ-INIZCTEOSA-N -1 3 419.522 3.830 50 0 HHAAHM O=C(Oc1ccccc1)N1CCC(C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000043957116 526445674 /nfs/dbraw/zinc/44/56/74/526445674.db2.gz ICTLIVQJCQEMHH-UHFFFAOYSA-N -1 3 414.936 3.591 50 0 HHAAHM O=S(=O)([N-]c1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc(Br)cc1 ZINC000044922272 527251739 /nfs/dbraw/zinc/25/17/39/527251739.db2.gz GINRFSMZBZRVFK-MRXNPFEDSA-N -1 3 422.304 3.978 50 0 HHAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)C2CC2)cc1 ZINC000005099558 535402193 /nfs/dbraw/zinc/40/21/93/535402193.db2.gz ZKECWNDGUBGPAB-UHFFFAOYSA-N -1 3 400.500 3.575 50 0 HHAAHM CCn1c(SCC(=O)Nc2ccc(F)c(F)c2F)nnc1-c1ccccc1[O-] ZINC000001078522 557174974 /nfs/dbraw/zinc/17/49/74/557174974.db2.gz WJKBCUKGZYWQMU-UHFFFAOYSA-N -1 3 408.405 3.819 50 0 HHAAHM CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(Br)c1[O-] ZINC000001160904 557218199 /nfs/dbraw/zinc/21/81/99/557218199.db2.gz VNUQOVUPZQEEIF-NTEUORMPSA-N -1 3 403.232 3.651 50 0 HHAAHM COC(=O)c1sccc1[N-]C(=O)c1cc(S(=O)(=O)C(C)C)c(SC)s1 ZINC000002155621 557320192 /nfs/dbraw/zinc/32/01/92/557320192.db2.gz HBOYMHYNXPEKKJ-UHFFFAOYSA-N -1 3 419.571 3.753 50 0 HHAAHM CCOC(=O)N[C@@]([N-]c1cccc(C(F)(F)F)c1)(C(=O)OCC)C(F)(F)F ZINC000002344711 557338797 /nfs/dbraw/zinc/33/87/97/557338797.db2.gz OARKSROYUOEQQC-ZDUSSCGKSA-N -1 3 402.291 3.685 50 0 HHAAHM Cc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(Cl)cc2)cc1 ZINC000004144283 557519842 /nfs/dbraw/zinc/51/98/42/557519842.db2.gz ZYSNZAHLHRYOLQ-MPGHIAIKSA-N -1 3 412.795 3.752 50 0 HHAAHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCSCc2c(F)cccc2Cl)cc1 ZINC000004756952 557594094 /nfs/dbraw/zinc/59/40/94/557594094.db2.gz GUJYKLDFHPZWQW-UHFFFAOYSA-N -1 3 416.927 3.514 50 0 HHAAHM O=C(NC(=S)Nc1ccccc1[O-])c1ccccc1OCCOc1ccccc1 ZINC000008723240 557802327 /nfs/dbraw/zinc/80/23/27/557802327.db2.gz JRWYXZPEZDEJPE-UHFFFAOYSA-N -1 3 408.479 3.977 50 0 HHAAHM COC(=O)[C@@H](c1ccccc1Cl)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000097550235 557823032 /nfs/dbraw/zinc/82/30/32/557823032.db2.gz JXAKWHLVHLITBR-LJQANCHMSA-N -1 3 402.878 3.610 50 0 HHAAHM CCc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3CCC(O)CC3)c([O-])n2n1 ZINC000022855202 557842263 /nfs/dbraw/zinc/84/22/63/557842263.db2.gz SLKAUBKGYYKXQF-SFHVURJKSA-N -1 3 400.548 3.728 50 0 HHAAHM Cc1ccc(SCc2cc(=O)[n-]c(N3CCN(c4ccccc4F)CC3)n2)cc1 ZINC000009426368 557842701 /nfs/dbraw/zinc/84/27/01/557842701.db2.gz KMNXOFOENOFXIH-UHFFFAOYSA-N -1 3 410.518 3.836 50 0 HHAAHM C[C@H](Oc1ccccc1)C(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000009581606 557846147 /nfs/dbraw/zinc/84/61/47/557846147.db2.gz MSDKCFCRSWKMHV-AWEZNQCLSA-N -1 3 402.406 3.769 50 0 HHAAHM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)cc1 ZINC000028260691 558693924 /nfs/dbraw/zinc/69/39/24/558693924.db2.gz XXBNXGCAIHVIBQ-UHFFFAOYSA-N -1 3 400.500 3.936 50 0 HHAAHM COC(=O)C1=C(C(=O)OC)SC(=C(Cl)C(=S)Nc2ccccc2[O-])S1 ZINC000015084441 558719956 /nfs/dbraw/zinc/71/99/56/558719956.db2.gz VRYGXZUVQGDWAL-UHFFFAOYSA-N -1 3 417.917 3.577 50 0 HHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCC(C)C)CC3)cc2)cc1C ZINC000033115540 558761776 /nfs/dbraw/zinc/76/17/76/558761776.db2.gz NCZCRERODGFVHQ-UHFFFAOYSA-N -1 3 400.544 3.908 50 0 HHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCc4ccco4)CC3)cc2)cc1 ZINC000033115422 558761838 /nfs/dbraw/zinc/76/18/38/558761838.db2.gz FLTXHPSXKYXLFX-UHFFFAOYSA-N -1 3 410.495 3.737 50 0 HHAAHM COc1cc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCO3)cc(OC)c1[O-] ZINC000035615890 558794455 /nfs/dbraw/zinc/79/44/55/558794455.db2.gz DTCYAOSVNHKWGA-UHFFFAOYSA-N -1 3 406.398 3.591 50 0 HHAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)COc2cc(Cl)c(Cl)cc2Cl)N1 ZINC000017083260 558815715 /nfs/dbraw/zinc/81/57/15/558815715.db2.gz MJNZIEAXHFFXMF-LBPRGKRZSA-N -1 3 405.587 3.885 50 0 HHAAHM CCCn1c(=O)[n-]nc1SCc1cccc(CSc2n[nH]c(=O)n2CCC)c1 ZINC000019315475 558867099 /nfs/dbraw/zinc/86/70/99/558867099.db2.gz RCHDLDGXVXBTRR-UHFFFAOYSA-N -1 3 420.564 3.685 50 0 HHAAHM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2Br)c(Cl)c1 ZINC000058357541 558921492 /nfs/dbraw/zinc/92/14/92/558921492.db2.gz IILFKAKYMIRKMK-UHFFFAOYSA-N -1 3 418.696 3.998 50 0 HHAAHM O=C(Nc1ncccc1[O-])c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000059289888 558933598 /nfs/dbraw/zinc/93/35/98/558933598.db2.gz MOCSGSFNPNBQSO-UHFFFAOYSA-N -1 3 413.275 3.867 50 0 HHAAHM CN(Cc1ccccc1C(F)(F)F)Cc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000059931842 558939893 /nfs/dbraw/zinc/93/98/93/558939893.db2.gz IXOYUKOGLQKIHC-UHFFFAOYSA-N -1 3 413.403 3.760 50 0 HHAAHM O=C(CCc1c[nH]c2ccccc12)N1CCc2c(=O)[n-]c(-c3ccc(F)cc3)nc2C1 ZINC000097123593 558995781 /nfs/dbraw/zinc/99/57/81/558995781.db2.gz OFXUJPMPJLVFSX-UHFFFAOYSA-N -1 3 416.456 3.575 50 0 HHAAHM CSc1ccc(N2C[C@@H](c3nnc([N-]C(=O)c4cccs4)o3)CC2=O)cc1 ZINC000033291223 559045673 /nfs/dbraw/zinc/04/56/73/559045673.db2.gz FWRIKVGROCPVQK-NSHDSACASA-N -1 3 400.485 3.626 50 0 HHAAHM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]CCC(C)C)s1 ZINC000033306534 559051708 /nfs/dbraw/zinc/05/17/08/559051708.db2.gz KQGWEHUSPSCUKR-SOFGYWHQSA-N -1 3 411.549 3.888 50 0 HHAAHM CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2c[nH]c(=O)cc2[O-])cc1 ZINC000092096871 559075577 /nfs/dbraw/zinc/07/55/77/559075577.db2.gz NUDVMGOOJGSJPF-GOSISDBHSA-N -1 3 406.486 3.783 50 0 HHAAHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000100722359 559138427 /nfs/dbraw/zinc/13/84/27/559138427.db2.gz AWYACEIVBOFBHB-BHDDXSALSA-N -1 3 418.424 3.885 50 0 HHAAHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2)cc1 ZINC000100722299 559138501 /nfs/dbraw/zinc/13/85/01/559138501.db2.gz JYJQMKATQMDTHU-FDFHNCONSA-N -1 3 400.434 3.746 50 0 HHAAHM COc1ccc2nc([N-]C(=O)c3cc(-c4ccc5c(c4)OCCO5)on3)sc2c1 ZINC000011916016 559267223 /nfs/dbraw/zinc/26/72/23/559267223.db2.gz XZEMDONPSCROSP-UHFFFAOYSA-N -1 3 409.423 3.983 50 0 HHAAHM CCCn1c(=O)c(C(=O)Nc2cccc(Br)c2)c([O-])c2c1CCCC2 ZINC000005643693 560636067 /nfs/dbraw/zinc/63/60/67/560636067.db2.gz GKYBHRCEVLUJKC-UHFFFAOYSA-N -1 3 405.292 3.858 50 0 HHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCCc1cccs1 ZINC000017909787 560730395 /nfs/dbraw/zinc/73/03/95/560730395.db2.gz KXPRRQCBBWXDRO-UHFFFAOYSA-N -1 3 418.515 3.969 50 0 HHAAHM Cc1ccc(NCc2cc(=O)n3nc(NCc4ccccc4Cl)[n-]c3n2)c(C)c1 ZINC000101796236 560801508 /nfs/dbraw/zinc/80/15/08/560801508.db2.gz CFFXPJAXORZVCS-UHFFFAOYSA-N -1 3 408.893 3.912 50 0 HHAAHM COc1cc(Nc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)nc(C)n1 ZINC000012226130 560894306 /nfs/dbraw/zinc/89/43/06/560894306.db2.gz CPCZQAFHBCFZCA-UHFFFAOYSA-N -1 3 404.879 3.991 50 0 HHAAHM CCOc1cc(Nc2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2)nc(C)n1 ZINC000012226255 560894939 /nfs/dbraw/zinc/89/49/39/560894939.db2.gz NAQFLQHOQAINIU-UHFFFAOYSA-N -1 3 414.487 3.737 50 0 HHAAHM Cc1cc(C)c(NC(=O)CSc2nc3c(nc[n-]c3=O)n2-c2ccccc2)c(C)c1 ZINC000046031431 568424457 /nfs/dbraw/zinc/42/44/57/568424457.db2.gz LBIMXAAAUXJONP-UHFFFAOYSA-N -1 3 419.510 3.765 50 0 HHAAHM CCCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc(Cl)c1C)CC(=O)N2 ZINC000046074251 568426797 /nfs/dbraw/zinc/42/67/97/568426797.db2.gz WDNARVBFTHZTOS-LLVKDONJSA-N -1 3 420.922 3.688 50 0 HHAAHM O=C(Nc1ccccc1[O-])c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000000806194 568486982 /nfs/dbraw/zinc/48/69/82/568486982.db2.gz GCUYAWPJTIMKNJ-UHFFFAOYSA-N -1 3 408.907 3.863 50 0 HHAAHM CCCCN1C(=O)c2ccc(C(=O)[N-]c3c(F)cc(C(C)=O)c(F)c3F)cc2C1=O ZINC000095457271 568618360 /nfs/dbraw/zinc/61/83/60/568618360.db2.gz LNVSNFKXFRBDCZ-UHFFFAOYSA-N -1 3 418.371 3.955 50 0 HHAAHM COc1ccc(OCc2ccc(C)cc2)c([C@H]2SC([N-]C(C)=O)=NN2C(C)=O)c1 ZINC000020896432 568649144 /nfs/dbraw/zinc/64/91/44/568649144.db2.gz NJYQSUQPZZJRLY-HXUWFJFHSA-N -1 3 413.499 3.584 50 0 HHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cccc(OCc3ccccc3Cl)c2)S1 ZINC000020896498 568649148 /nfs/dbraw/zinc/64/91/48/568649148.db2.gz IJQACIDTSMOGRF-SFHVURJKSA-N -1 3 403.891 3.920 50 0 HHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cc(C)ccc2OCc2ccccc2F)S1 ZINC000020896303 568649176 /nfs/dbraw/zinc/64/91/76/568649176.db2.gz FBINEKCNTQERTJ-IBGZPJMESA-N -1 3 401.463 3.714 50 0 HHAAHM CCN(C(=O)CSc1nc(-c2ccccc2)nc2cc(=O)[n-]n21)c1cccc(C)c1 ZINC000021537150 568712446 /nfs/dbraw/zinc/71/24/46/568712446.db2.gz GYLDVJMYFHQBQS-UHFFFAOYSA-N -1 3 419.510 3.538 50 0 HHAAHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(O)cc1 ZINC000229963436 568715965 /nfs/dbraw/zinc/71/59/65/568715965.db2.gz MCEWVEMNJCRCNB-BHDDXSALSA-N -1 3 400.434 3.752 50 0 HHAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)cc1 ZINC000229966502 568716316 /nfs/dbraw/zinc/71/63/16/568716316.db2.gz RAXYROGTNMRWJD-BHDDXSALSA-N -1 3 400.434 3.752 50 0 HHAAHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cc(C)c(Cl)cc2Cl)OCCO)cc1 ZINC000096338116 568736789 /nfs/dbraw/zinc/73/67/89/568736789.db2.gz USTNIZOXVYOWTG-QGZVFWFLSA-N -1 3 418.342 3.639 50 0 HHAAHM O=C(CSc1nnc([N-]c2ccccc2F)s1)NCc1ccc2c(c1)OCO2 ZINC000002621863 568787967 /nfs/dbraw/zinc/78/79/67/568787967.db2.gz MNHAXOMHPPQGPC-UHFFFAOYSA-N -1 3 418.475 3.558 50 0 HHAAHM CCOC([O-])=NC(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1 ZINC000002636615 568792371 /nfs/dbraw/zinc/79/23/71/568792371.db2.gz UVJKHSUUDDENBM-UHFFFAOYSA-N -1 3 408.549 3.800 50 0 HHAAHM CCOC(=O)[N-]C(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1 ZINC000002636615 568792372 /nfs/dbraw/zinc/79/23/72/568792372.db2.gz UVJKHSUUDDENBM-UHFFFAOYSA-N -1 3 408.549 3.800 50 0 HHAAHM Cc1noc(C)c1CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000012532577 568844542 /nfs/dbraw/zinc/84/45/42/568844542.db2.gz ABYFBZWPUFFYFG-UHFFFAOYSA-N -1 3 413.499 3.890 50 0 HHAAHM Cc1cccc(N(CC(=O)Nc2ccc(Br)cc2)c2nc([O-])cs2)c1 ZINC000012596680 568869253 /nfs/dbraw/zinc/86/92/53/568869253.db2.gz GHVVWNVYXURGNG-UHFFFAOYSA-N -1 3 418.316 3.832 50 0 HHAAHM Cc1ccc(-n2c(=O)c([C@H]3NCCc4c5ccccc5[nH]c43)c([O-])[nH]c2=S)c(C)c1 ZINC000001323532 568914884 /nfs/dbraw/zinc/91/48/84/568914884.db2.gz BFOQNOORBQFZBV-HXUWFJFHSA-N -1 3 418.522 3.560 50 0 biogenic HHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1 ZINC000004270386 568956558 /nfs/dbraw/zinc/95/65/58/568956558.db2.gz LPQOSDYCXWKQAP-UHFFFAOYSA-N -1 3 405.479 3.803 50 0 HHAAHM CS(=O)(=O)[N-]c1ccc2nc(SCC(=O)Nc3ccc(F)cc3)sc2c1 ZINC000015669761 568961167 /nfs/dbraw/zinc/96/11/67/568961167.db2.gz YJGRRQDFXNMWAS-UHFFFAOYSA-N -1 3 411.505 3.538 50 0 HHAAHM Cc1nc(Nc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc(N2CCCC2)n1 ZINC000015671332 568961873 /nfs/dbraw/zinc/96/18/73/568961873.db2.gz HAUCRSZPERTXBS-UHFFFAOYSA-N -1 3 409.515 3.930 50 0 HHAAHM CCCN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)Cc1csc(-c2ccco2)n1 ZINC000012824445 569008129 /nfs/dbraw/zinc/00/81/29/569008129.db2.gz PDIRLMJFVGSFOI-UHFFFAOYSA-N -1 3 414.512 3.682 50 0 HHAAHM CCOc1ccc(CN(C)C(=O)c2sc3[n-]c(CSC)nc(=O)c3c2C)cc1 ZINC000012847028 569010181 /nfs/dbraw/zinc/01/01/81/569010181.db2.gz XOLBCCZKFGFZLE-UHFFFAOYSA-N -1 3 417.556 3.827 50 0 HHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccc(-c3ccc(Br)cc3)o2)S1 ZINC000015832884 569012697 /nfs/dbraw/zinc/01/26/97/569012697.db2.gz OGNBJTNLTDJLDM-HNNXBMFYSA-N -1 3 408.277 3.710 50 0 HHAAHM O=C(CSc1nnc(-c2ccc([O-])cc2)o1)Nc1ccccc1Br ZINC000015885161 569019746 /nfs/dbraw/zinc/01/97/46/569019746.db2.gz PXQPAHJRAAHDFN-UHFFFAOYSA-N -1 3 406.261 3.936 50 0 HHAAHM Cc1nc(-c2ccccc2)[n-]c(=O)c1CCC(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000012929470 569024392 /nfs/dbraw/zinc/02/43/92/569024392.db2.gz XTWFRSNXZDUAPO-UHFFFAOYSA-N -1 3 416.485 3.642 50 0 HHAAHM CCOC(=O)/C(=C/c1cc(Br)c([O-])c(OC)c1)c1ncc(Cl)n1C ZINC000063846229 569031299 /nfs/dbraw/zinc/03/12/99/569031299.db2.gz VEOFBLIUKFTREK-BJMVGYQFSA-N -1 3 415.671 3.654 50 0 HHAAHM O=C([N-]c1cc(OCc2ccc3c(c2)OCO3)ncn1)c1cc(-c2cccs2)on1 ZINC000090593658 569041631 /nfs/dbraw/zinc/04/16/31/569041631.db2.gz ASCZYUNFLCWYOS-UHFFFAOYSA-N -1 3 422.422 3.753 50 0 HHAAHM CCOc1c(C)cc(S(=O)(=O)[N-]c2ccc3c(c2)N(CCOC)CCC3)cc1C ZINC000035588279 569046167 /nfs/dbraw/zinc/04/61/67/569046167.db2.gz FSNUBSIQUCOBCN-UHFFFAOYSA-N -1 3 418.559 3.902 50 0 HHAAHM CC(C)Oc1ccc(C=CC(=O)Nc2ccccc2-c2n[n-]c(=S)[nH]c2=O)cc1 ZINC000006389245 569046358 /nfs/dbraw/zinc/04/63/58/569046358.db2.gz NPPHLZOGPKQLRV-FMIVXFBMSA-N -1 3 408.483 3.934 50 0 HHAAHM COc1cc(/C=C2/NC(=S)N(c3ccccc3C)C2=O)cc(Br)c1[O-] ZINC000105450736 569053872 /nfs/dbraw/zinc/05/38/72/569053872.db2.gz WHICOFFFMITVOG-MDWZMJQESA-N -1 3 419.300 3.734 50 0 HHAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)cc1 ZINC000239402692 569054315 /nfs/dbraw/zinc/05/43/15/569054315.db2.gz RAXYROGTNMRWJD-YPAWHYETSA-N -1 3 400.434 3.752 50 0 HHAAHM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2c(O)c(Cl)cc(Cl)c2Cl)c1 ZINC000089312141 569058450 /nfs/dbraw/zinc/05/84/50/569058450.db2.gz BROVRCLIWUGHRA-UHFFFAOYSA-N -1 3 423.705 3.855 50 0 HHAAHM CCn1ncc(-c2cc(C(=O)N3NC=C[C@]3([O-])C(F)(F)F)c3ccccc3n2)c1C ZINC000006490091 569059716 /nfs/dbraw/zinc/05/97/16/569059716.db2.gz DPXZQUWMBXNQIK-IBGZPJMESA-N -1 3 417.391 3.509 50 0 HHAAHM COc1cccc(NC(=O)CN2CCc3[n-]c4c(F)c(Cl)ccc4c(=O)c3C2)c1 ZINC000065034978 569158577 /nfs/dbraw/zinc/15/85/77/569158577.db2.gz FGFNZAZROZQGPG-UHFFFAOYSA-N -1 3 415.852 3.738 50 0 HHAAHM Cc1cccc(Cl)c1OCc1ccc(C(=O)N2NC=C[C@@]2([O-])C(F)(F)F)o1 ZINC000006924892 569183252 /nfs/dbraw/zinc/18/32/52/569183252.db2.gz ZGJKXOIBVPCSJO-MRXNPFEDSA-N 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0 HHAAHM CCc1nc2sc([C@@H](c3ccc(OC)c(OC)c3)N3CCC(C)CC3)c([O-])n2n1 ZINC000022853383 557840260 /nfs/dbraw/zinc/84/02/60/557840260.db2.gz VPKLSKKYGTWTSF-GOSISDBHSA-N -1 3 416.547 3.897 50 0 HHAAHM C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000009581610 557846156 /nfs/dbraw/zinc/84/61/56/557846156.db2.gz MSDKCFCRSWKMHV-CQSZACIVSA-N -1 3 402.406 3.769 50 0 HHAAHM Cc1ccc(C([O-])=C2[C@H](c3ccc(Cl)cc3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000012112406 558326734 /nfs/dbraw/zinc/32/67/34/558326734.db2.gz UOSHCSGYPPXMJU-MPGHIAIKSA-N -1 3 412.795 3.752 50 0 HHAAHM Cc1nn(-c2ncccn2)c2c1C(=C([O-])c1ccc(Br)cc1)CC(=O)N2 ZINC000020730858 558406685 /nfs/dbraw/zinc/40/66/85/558406685.db2.gz ZGRHHLCWWYBALD-ZDUSSCGKSA-N -1 3 412.247 3.691 50 0 HHAAHM COc1ccc(NC(=O)[C@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000021603409 558443319 /nfs/dbraw/zinc/44/33/19/558443319.db2.gz VQUUDCXTCUUDDG-ZDUSSCGKSA-N -1 3 421.482 3.649 50 0 HHAAHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]CC1(c2ccccc2)CC1 ZINC000021869722 558453082 /nfs/dbraw/zinc/45/30/82/558453082.db2.gz MNJUDEZUAOFMTQ-UHFFFAOYSA-N -1 3 410.333 3.858 50 0 HHAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1cccc(O)c1 ZINC000013513246 558536115 /nfs/dbraw/zinc/53/61/15/558536115.db2.gz IGUTXHYMHKWJIM-QHAWAJNXSA-N -1 3 404.397 3.582 50 0 HHAAHM C[C@@H]1CCc2noc([N-]C(=O)c3cc(=O)c4ccc(Br)cc4o3)c2C1 ZINC000027793449 558682608 /nfs/dbraw/zinc/68/26/08/558682608.db2.gz WGMZOTPEWRIABX-SECBINFHSA-N -1 3 403.232 3.921 50 0 HHAAHM O=C(c1scc2c1CCCC2)N1CCC[C@@H](C[N-]S(=O)(=O)c2cccs2)C1 ZINC000015065655 558708578 /nfs/dbraw/zinc/70/85/78/558708578.db2.gz NAIUWOKSESNXOY-AWEZNQCLSA-N -1 3 424.613 3.519 50 0 HHAAHM COc1ccc([C@@H](CC(=O)OC(C)C)[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000015361724 558735852 /nfs/dbraw/zinc/73/58/52/558735852.db2.gz UOKSTEOEDIXQMY-CQSZACIVSA-N -1 3 417.936 3.771 50 0 HHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CCCC4)CC3)cc2)cc1 ZINC000033274572 558764340 /nfs/dbraw/zinc/76/43/40/558764340.db2.gz ASPKGBZXTGMYPS-UHFFFAOYSA-N -1 3 414.527 3.586 50 0 HHAAHM Cc1cc(C)cc(OCC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000072311453 558783994 /nfs/dbraw/zinc/78/39/94/558783994.db2.gz HJRHYYZFZMWKHL-UHFFFAOYSA-N -1 3 416.905 3.919 50 0 HHAAHM COCCCN1CCc2nc(SCc3cccc(C(F)(F)F)c3)[n-]c(=O)c2C1 ZINC000033141653 558893313 /nfs/dbraw/zinc/89/33/13/558893313.db2.gz AVRRGNPSAJNDKA-UHFFFAOYSA-N -1 3 413.465 3.888 50 0 HHAAHM COc1cc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)-c2oncc2CO3)c(OC)c1 ZINC000033171275 558900163 /nfs/dbraw/zinc/90/01/63/558900163.db2.gz MXPDDYGVHXNTKJ-UHFFFAOYSA-N -1 3 422.846 3.705 50 0 HHAAHM O=S(=O)([N-]Cc1cccnc1OCC(F)(F)F)c1ccccc1C(F)(F)F ZINC000058754891 558929848 /nfs/dbraw/zinc/92/98/48/558929848.db2.gz VULBHKMTKJXLDL-UHFFFAOYSA-N -1 3 414.327 3.520 50 0 HHAAHM CC[C@H](C)NC(=O)N1CCC(c2nnc(C(=O)[N-]c3ccccc3F)s2)CC1 ZINC000033273174 559033876 /nfs/dbraw/zinc/03/38/76/559033876.db2.gz LVKIGRDZQRUFLJ-LBPRGKRZSA-N -1 3 405.499 3.617 50 0 HHAAHM Cc1ccc(CCNC(=O)c2cnc(Cc3c(Cl)cccc3Cl)[n-]c2=O)o1 ZINC000091586948 559072306 /nfs/dbraw/zinc/07/23/06/559072306.db2.gz HQJKJFYQHJQDBZ-UHFFFAOYSA-N -1 3 406.269 3.541 50 0 HHAAHM Cc1nc(CN(C(=O)C(C)C)C2CC2)[n-]c(=O)c1Cc1cccc(C(F)(F)F)c1 ZINC000096318005 559109766 /nfs/dbraw/zinc/10/97/66/559109766.db2.gz HYKUWGUUVZRTKE-UHFFFAOYSA-N -1 3 407.436 3.835 50 0 HHAAHM CCOc1ccc(-c2cccc([N-]S(=O)(=O)c3cc(C)c(OC)cc3C)c2)nn1 ZINC000005150725 559253620 /nfs/dbraw/zinc/25/36/20/559253620.db2.gz LZPMLZUAWRQLIN-UHFFFAOYSA-N -1 3 413.499 3.969 50 0 HHAAHM CCc1ccc(-n2c(O)c([C@@H]3NCCc4c5ccccc5[nH]c43)c(=O)[n-]c2=S)cc1 ZINC000100752451 559263374 /nfs/dbraw/zinc/26/33/74/559263374.db2.gz KKACRSMSNMAPQG-FQEVSTJZSA-N -1 3 418.522 3.879 50 0 biogenic HHAAHM [O-]c1ccccc1-c1nc2c3c(ncn2n1)Oc1cc(O)ccc1[C@H]3c1cccnc1 ZINC000005345659 560570017 /nfs/dbraw/zinc/57/00/17/560570017.db2.gz LUJDYMONVXRNJI-LJQANCHMSA-N -1 3 409.405 3.883 50 0 HHAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cccnc1 ZINC000018009938 560750182 /nfs/dbraw/zinc/75/01/82/560750182.db2.gz TVDUNKYDUZOHKX-HSALFYBXSA-N -1 3 405.841 3.786 50 0 HHAAHM CC(=O)c1[n-]n(-c2ccccc2Cl)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000100893653 560762127 /nfs/dbraw/zinc/76/21/27/560762127.db2.gz PCZFBAGVSDZJCK-FUHWJXTLSA-N -1 3 416.264 3.625 50 0 HHAAHM Cc1cccc(C)c1NCc1cc(=O)n2nc(NCc3ccccc3Cl)[n-]c2n1 ZINC000101796231 560801527 /nfs/dbraw/zinc/80/15/27/560801527.db2.gz VOTDHUVRLRAADS-UHFFFAOYSA-N -1 3 408.893 3.912 50 0 HHAAHM Cc1c(Cl)cccc1NCc1cc(=O)n2nc(NCc3cccs3)[n-]c2n1 ZINC000101797188 560801875 /nfs/dbraw/zinc/80/18/75/560801875.db2.gz YHQUNOMZHLMLLW-UHFFFAOYSA-N -1 3 400.895 3.665 50 0 HHAAHM CCOC(=O)C(=C([O-])CSc1nccn1-c1cccc(C)c1)c1nc(C)cs1 ZINC000102810155 560828959 /nfs/dbraw/zinc/82/89/59/560828959.db2.gz RFAGCZCULFGNEY-QGZVFWFLSA-N -1 3 415.540 3.954 50 0 HHAAHM CCOC(=O)C(=C([O-])CSc1nccn1-c1ccccc1C)c1nc(C)cs1 ZINC000102810140 560828981 /nfs/dbraw/zinc/82/89/81/560828981.db2.gz ULRXOIBUAAJVTR-KRWDZBQOSA-N -1 3 415.540 3.954 50 0 HHAAHM COc1cccc(OC)c1C([O-])=C1CC(=O)Nc2c1c(C)nn2-c1ccc(F)cc1 ZINC000046057636 568426255 /nfs/dbraw/zinc/42/62/55/568426255.db2.gz GTXHTHVXWNUFEG-HNNXBMFYSA-N -1 3 409.417 3.646 50 0 HHAAHM COc1cccc(OC)c1C([O-])=C1CC(=O)Nc2c1c(C)nn2-c1cccc(F)c1 ZINC000046057689 568426260 /nfs/dbraw/zinc/42/62/60/568426260.db2.gz JWNZEFQPRLQHTG-HNNXBMFYSA-N -1 3 409.417 3.646 50 0 HHAAHM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000007315907 568478990 /nfs/dbraw/zinc/47/89/90/568478990.db2.gz ULJSEGWGOSCDSH-HXUWFJFHSA-N -1 3 419.433 3.814 50 0 HHAAHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000024888473 568479259 /nfs/dbraw/zinc/47/92/59/568479259.db2.gz JYOSOKACEWKTDA-UHFFFAOYSA-N -1 3 415.496 3.624 50 0 HHAAHM Cc1cc(C(=O)CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)c(C)[nH]1 ZINC000022614153 568495267 /nfs/dbraw/zinc/49/52/67/568495267.db2.gz FCGYRORKRNRYNT-UHFFFAOYSA-N -1 3 413.890 3.682 50 0 HHAAHM CC(C)CC(=O)N1CCC(c2nnc(C(=O)[N-]c3ccc(F)cc3F)s2)CC1 ZINC000033272993 568512570 /nfs/dbraw/zinc/51/25/70/568512570.db2.gz LECMQFXWMUSOHE-UHFFFAOYSA-N -1 3 408.474 3.821 50 0 HHAAHM C[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1cccc(Br)c1)N2 ZINC000020034174 568586525 /nfs/dbraw/zinc/58/65/25/568586525.db2.gz NDZLOPNPLGWVKM-DDHOLCJHSA-N -1 3 405.214 3.948 50 0 HHAAHM CC(C)C(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@@H]1c1ccc(F)cc1 ZINC000225514451 568645578 /nfs/dbraw/zinc/64/55/78/568645578.db2.gz OFPDICXKTXXTMQ-LJQANCHMSA-N -1 3 403.479 3.531 50 0 HHAAHM CCOC(=O)c1nnc(C2CCN(C(=O)c3cc(Cl)ccc3SCC)CC2)[n-]1 ZINC000225531027 568647845 /nfs/dbraw/zinc/64/78/45/568647845.db2.gz REEKZFABHFSFIW-UHFFFAOYSA-N -1 3 422.938 3.767 50 0 HHAAHM CCOC(=O)c1nc(C2CCN(C(=O)c3cc(Cl)ccc3SCC)CC2)n[n-]1 ZINC000225531027 568647846 /nfs/dbraw/zinc/64/78/46/568647846.db2.gz REEKZFABHFSFIW-UHFFFAOYSA-N -1 3 422.938 3.767 50 0 HHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)S1 ZINC000020895730 568648816 /nfs/dbraw/zinc/64/88/16/568648816.db2.gz RWZFQOPWDNAKLV-QGZVFWFLSA-N -1 3 417.874 3.560 50 0 HHAAHM CC(C)[C@@H]1C[C@@H](NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CCO1 ZINC000095983586 568675704 /nfs/dbraw/zinc/67/57/04/568675704.db2.gz XCNWETMYMUPDGQ-JXFKEZNVSA-N -1 3 420.506 3.560 50 0 HHAAHM CC[C@@H](NC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)c1ccc(Cl)cc1 ZINC000021557917 568714012 /nfs/dbraw/zinc/71/40/12/568714012.db2.gz OBJCUPLCYNXWJW-QGZVFWFLSA-N -1 3 416.877 3.554 50 0 HHAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccncc1 ZINC000229994054 568716521 /nfs/dbraw/zinc/71/65/21/568716521.db2.gz LRKJNSYVFCUHII-XUVXKRRUSA-N -1 3 405.841 3.786 50 0 HHAAHM O=c1[n-]nc(CSc2nnc(-c3ccccc3)o2)c2cn(-c3ccccc3)nc21 ZINC000096306017 568723280 /nfs/dbraw/zinc/72/32/80/568723280.db2.gz QZIPLMQOJLZQGO-UHFFFAOYSA-N -1 3 402.439 3.863 50 0 HHAAHM COc1ccc(Cl)c2c(=O)c3c([n-]c12)CCN(CC(=O)Nc1cccc(C)c1)C3 ZINC000096326903 568734870 /nfs/dbraw/zinc/73/48/70/568734870.db2.gz MJOKSRIUOBYJFG-UHFFFAOYSA-N -1 3 411.889 3.908 50 0 HHAAHM O=C1[N-][C@@](c2ccccc2)(C(F)(F)F)N=C2C=CC(I)=CN12 ZINC000000992607 568761750 /nfs/dbraw/zinc/76/17/50/568761750.db2.gz NSQWGVJDJUQITB-ZDUSSCGKSA-N -1 3 419.144 3.876 50 0 HHAAHM O=C1C(=C([O-])c2ccccc2)[C@@H](c2ccccc2)CN1S(=O)(=O)c1ccccc1 ZINC000002470638 568773575 /nfs/dbraw/zinc/77/35/75/568773575.db2.gz QUTJVKGMOMZJAC-NHCUHLMSSA-N -1 3 405.475 3.500 50 0 HHAAHM CCC(CC)c1nnc([N-]C(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)s1 ZINC000002651287 568796459 /nfs/dbraw/zinc/79/64/59/568796459.db2.gz UCPVOTYUVKESSG-UHFFFAOYSA-N -1 3 416.956 3.598 50 0 HHAAHM CCOC(=O)[C@@]([N-]c1ccc(F)c(Cl)c1)(NC(=O)c1cccnc1)C(F)(F)F ZINC000001890683 568839618 /nfs/dbraw/zinc/83/96/18/568839618.db2.gz XVXAHEDOXPVSKL-MRXNPFEDSA-N -1 3 419.762 3.538 50 0 HHAAHM C[C@@H](NCCSc1nccn1C)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000012580312 568864101 /nfs/dbraw/zinc/86/41/01/568864101.db2.gz CDNNXNKCPHLNCK-LLVKDONJSA-N -1 3 417.585 3.890 50 0 HHAAHM COC(=O)c1sc2[n-]c(CSc3nc4ccccc4s3)nc(=O)c2c1C ZINC000003867466 568868978 /nfs/dbraw/zinc/86/89/78/568868978.db2.gz XMZIFBPSMFBXHD-UHFFFAOYSA-N -1 3 403.510 3.982 50 0 HHAAHM CCOC(=O)c1c(NC(=O)COC(=O)c2ccc([O-])cc2)sc2c1CC[C@H](C)C2 ZINC000003313950 568878780 /nfs/dbraw/zinc/87/87/80/568878780.db2.gz HHEVYIHBGBUPNQ-LBPRGKRZSA-N -1 3 417.483 3.551 50 0 HHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@@H](C)c1cccnc1 ZINC000007989080 568966106 /nfs/dbraw/zinc/96/61/06/568966106.db2.gz LEBZWCJYLFQIKX-HNNXBMFYSA-N -1 3 413.474 3.821 50 0 HHAAHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CCCn3ccnc3C(C)C)s2)cs1 ZINC000670469696 568979974 /nfs/dbraw/zinc/97/99/74/568979974.db2.gz ALYMFYIDYYIBMR-UHFFFAOYSA-N -1 3 410.590 3.869 50 0 HHAAHM CC[C@]1(c2ccc(F)cc2)[N-]C(=O)N(Cc2c(F)c(F)c(F)c(F)c2F)C1=O ZINC000008187914 568980655 /nfs/dbraw/zinc/98/06/55/568980655.db2.gz FZEWSWDJBUWKKW-GOSISDBHSA-N -1 3 402.294 3.879 50 0 HHAAHM COc1ccc(-c2nnc(SCc3cc(=O)oc4c(C)c([O-])ccc34)n2C)cc1 ZINC000006077526 568993026 /nfs/dbraw/zinc/99/30/26/568993026.db2.gz DFWYYBISIUCJOV-UHFFFAOYSA-N -1 3 409.467 3.903 50 0 HHAAHM Cc1ccccc1-n1ccnc1S[C@H](C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000026047126 569003103 /nfs/dbraw/zinc/00/31/03/569003103.db2.gz RMJWENPRKFKYKS-OAHLLOKOSA-N -1 3 415.540 3.916 50 0 HHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cccc(OCCCOc3ccccc3)c2)S1 ZINC000015833034 569012839 /nfs/dbraw/zinc/01/28/39/569012839.db2.gz ONIKEBHAIJKBFU-HXUWFJFHSA-N -1 3 413.499 3.536 50 0 HHAAHM COc1cccc(OCc2cccc(C(=O)N3NC(C)=C[C@]3([O-])C(F)(F)F)c2)c1 ZINC000006395131 569046591 /nfs/dbraw/zinc/04/65/91/569046591.db2.gz SRVSAJTWYMHBCK-IBGZPJMESA-N -1 3 408.376 3.747 50 0 HHAAHM COc1cc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2cccc(C)c2C)ccc1[O-] ZINC000064450215 569062821 /nfs/dbraw/zinc/06/28/21/569062821.db2.gz PFTIEWAENQBMTJ-INIZCTEOSA-N -1 3 405.454 3.820 50 0 HHAAHM O=S(=O)([N-]Cc1cccn1Cc1ccccc1)c1ccc(Br)s1 ZINC000064665086 569078138 /nfs/dbraw/zinc/07/81/38/569078138.db2.gz HVHQVHKQHNAFRM-UHFFFAOYSA-N -1 3 411.346 3.839 50 0 HHAAHM O=C([N-]c1ccc(F)c(F)c1)c1nnc([C@H]2CCCN2C(=O)NC2CCCC2)s1 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ZINC000032914784 521264117 /nfs/dbraw/zinc/26/41/17/521264117.db2.gz DZDWWUNYHZVZFN-JOCHJYFZSA-N -1 3 424.522 3.976 50 0 HHAAHM CC(=O)N1CCOc2cc(S(=O)(=O)[N-]c3ccc(C)cc3Cl)c(Cl)cc21 ZINC000006893154 534802190 /nfs/dbraw/zinc/80/21/90/534802190.db2.gz XXJZOFAPUYIUCW-UHFFFAOYSA-N -1 3 415.298 3.848 50 0 HHAAHM Cc1cc(OCC(=O)N2NC3=C(C[C@@H](C)CC3)[C@@]2([O-])C(F)(F)F)ccc1Cl ZINC000020034313 525358189 /nfs/dbraw/zinc/35/81/89/525358189.db2.gz IYLMBOOJSAQWPN-MNRXQERYSA-N -1 3 404.816 3.913 50 0 HHAAHM Cc1cc(OCCCC(=O)Nc2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)ccc1Cl ZINC000032931474 525369956 /nfs/dbraw/zinc/36/99/56/525369956.db2.gz HIVTUNBXKCHQBM-NRFANRHFSA-N -1 3 415.877 3.501 50 0 HHAAHM O=C(Nc1ccccc1[O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000001061757 557164394 /nfs/dbraw/zinc/16/43/94/557164394.db2.gz QDCMZTFMQGRCMY-UHFFFAOYSA-N -1 3 408.907 3.863 50 0 HHAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1C ZINC000002884881 557421583 /nfs/dbraw/zinc/42/15/83/557421583.db2.gz OUSWIHXJTFDVHW-UHFFFAOYSA-N -1 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ZINC000020616185 558393007 /nfs/dbraw/zinc/39/30/07/558393007.db2.gz QJNJXNSRBQLRDG-UHFFFAOYSA-N -1 3 420.420 3.854 50 0 HHAAHM CCOc1cc(/C=c2\sc3nc4c(ccc(C)c4C)n3c2=O)cc(Cl)c1[O-] ZINC000012411353 558400714 /nfs/dbraw/zinc/40/07/14/558400714.db2.gz VKCKEZYZSWWFPG-SXGWCWSVSA-N -1 3 400.887 3.831 50 0 HHAAHM COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2[O-])C12CCCCC2 ZINC000020737048 558408166 /nfs/dbraw/zinc/40/81/66/558408166.db2.gz ZFTSUDBVAIZRLY-NRFANRHFSA-N -1 3 408.498 3.920 50 0 HHAAHM COc1ccc(-c2nc(C)c(CC[N-]S(=O)(=O)c3ccccc3F)s2)cc1 ZINC000004346970 558427785 /nfs/dbraw/zinc/42/77/85/558427785.db2.gz QSOZXAHHRHQLPK-UHFFFAOYSA-N -1 3 406.504 3.787 50 0 HHAAHM CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2ncccc2[O-])c1 ZINC000022263546 558474931 /nfs/dbraw/zinc/47/49/31/558474931.db2.gz WAWYILRXGJJLBN-UHFFFAOYSA-N -1 3 417.874 3.518 50 0 HHAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccc(O)cc1 ZINC000013689462 558571798 /nfs/dbraw/zinc/57/17/98/558571798.db2.gz PLEAKFUEZZZNQO-NJDAHSKKSA-N -1 3 404.397 3.582 50 0 HHAAHM Cc1cc(C)cc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000013856359 558598428 /nfs/dbraw/zinc/59/84/28/558598428.db2.gz VEBJFLZDOLBCAO-LBPRGKRZSA-N -1 3 401.315 3.916 50 0 HHAAHM CCOC(=O)c1cnn(-c2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2)c1C ZINC000024578098 558601625 /nfs/dbraw/zinc/60/16/25/558601625.db2.gz UWQZBLBJEBADOD-UHFFFAOYSA-N -1 3 417.462 3.606 50 0 HHAAHM COc1cc(S(=O)(=O)[N-][C@H](C)c2ccccc2)c(OC)cc1Br ZINC000027588450 558676824 /nfs/dbraw/zinc/67/68/24/558676824.db2.gz XSDHYJZSFCTYQC-LLVKDONJSA-N -1 3 400.294 3.506 50 0 HHAAHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cc(Br)ccc3O)nc(=O)c2c1C ZINC000015181142 558726944 /nfs/dbraw/zinc/72/69/44/558726944.db2.gz LIVSHPGVULWBKI-QMMMGPOBSA-N -1 3 423.288 3.988 50 0 HHAAHM Cc1ccc(NC(=O)CC[N-]S(=O)(=O)c2ccccc2C(F)(F)F)c(Cl)c1 ZINC000015500014 558741723 /nfs/dbraw/zinc/74/17/23/558741723.db2.gz FYADJSUPIJEMBQ-UHFFFAOYSA-N -1 3 420.840 3.974 50 0 HHAAHM CCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)cc2)CC1 ZINC000033274649 558764330 /nfs/dbraw/zinc/76/43/30/558764330.db2.gz ABNTVVWIVHKPAU-UHFFFAOYSA-N -1 3 400.544 3.854 50 0 HHAAHM Cc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Br)cc3)n2)c1 ZINC000013495256 558809404 /nfs/dbraw/zinc/80/94/04/558809404.db2.gz RWDQEORCWOVEJR-LBPRGKRZSA-N -1 3 422.304 3.847 50 0 HHAAHM Cc1ccc(NC(=O)CN(C)Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)cc1 ZINC000058172458 558908416 /nfs/dbraw/zinc/90/84/16/558908416.db2.gz ORYCZLXSSHMLHR-UHFFFAOYSA-N -1 3 408.483 3.624 50 0 HHAAHM CCCN1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)C4CCCC4)ccc3n2)CC1 ZINC000033260896 558926511 /nfs/dbraw/zinc/92/65/11/558926511.db2.gz VCPAIJJRNOLFLF-UHFFFAOYSA-N -1 3 410.518 3.594 50 0 HHAAHM Cc1ccc(-c2cc(C(=O)N3NC4=C(CCCC4)[C@]3([O-])C(F)(F)F)[nH]n2)c(C)c1 ZINC000033327075 559059660 /nfs/dbraw/zinc/05/96/60/559059660.db2.gz NQZXPVCBMDQAAV-KUHUBIRLSA-N -1 3 406.408 3.946 50 0 HHAAHM O=C(c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O)N1CCc2ccccc2C1 ZINC000091326829 559071118 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422.934 3.922 50 0 HHAAHM C[C@@H](Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)C(=O)NC1CCCC1 ZINC000013007460 569406633 /nfs/dbraw/zinc/40/66/33/569406633.db2.gz PRPCMCMXOGHMLB-LLVKDONJSA-N -1 3 417.922 3.714 50 0 HHAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Nc3ccc(-n4cccn4)nn3)cc2)c1 ZINC000013009956 569407205 /nfs/dbraw/zinc/40/72/05/569407205.db2.gz PUESKXFSYITKMZ-UHFFFAOYSA-N -1 3 420.498 3.824 50 0 HHAAHM [O-][C@]1(C(F)(F)F)C2=C(NN1c1nc(-c3cccnc3)cs1)c1ccccc1OC2 ZINC000008777800 571118157 /nfs/dbraw/zinc/11/81/57/571118157.db2.gz FVGURTNJRHWURG-ACJLOTCBSA-N -1 3 418.400 3.689 50 0 HHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1 ZINC000008840929 571124002 /nfs/dbraw/zinc/12/40/02/571124002.db2.gz KYKBYNMJMKHSTJ-UHFFFAOYSA-N -1 3 402.516 3.821 50 0 HHAAHM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@H](c2cccs2)N(C)C)cc1 ZINC000040043166 571142986 /nfs/dbraw/zinc/14/29/86/571142986.db2.gz UIVYPRRDBJSMNK-MRXNPFEDSA-N -1 3 415.588 3.787 50 0 HHAAHM O=C([N-]c1nc(-c2cccs2)cs1)c1ccc(S(=O)(=O)N2CCCCC2)o1 ZINC000040086766 571157117 /nfs/dbraw/zinc/15/71/17/571157117.db2.gz AYMKOCOLDXCNDQ-UHFFFAOYSA-N -1 3 423.541 3.892 50 0 HHAAHM COC(=O)c1cc([N-]C(=O)c2nc(-c3cccs3)oc2C)cc(C(=O)OC)c1 ZINC000040128505 571179651 /nfs/dbraw/zinc/17/96/51/571179651.db2.gz YHWSSAMIHBPBEG-UHFFFAOYSA-N -1 3 400.412 3.537 50 0 HHAAHM C[C@H](Oc1ccc(C(=O)N(C)Cc2nc3ccsc3c(=O)[n-]2)cn1)c1ccccc1 ZINC000040145207 571195558 /nfs/dbraw/zinc/19/55/58/571195558.db2.gz OHIVPKIQIDABAX-AWEZNQCLSA-N -1 3 420.494 3.792 50 0 HHAAHM C[C@H]([N-]S(=O)(=O)[C@H]1CON(C)[C@H]1c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000245329208 571225524 /nfs/dbraw/zinc/22/55/24/571225524.db2.gz RKUYIPOPOSUOBC-NDXORKPFSA-N -1 3 402.560 3.951 50 0 HHAAHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3C)cc1 ZINC000009165880 571232546 /nfs/dbraw/zinc/23/25/46/571232546.db2.gz BVLMBMPKGMODNT-UHFFFAOYSA-N -1 3 418.515 3.658 50 0 HHAAHM COc1ccc([C@@H]2CC(=O)c3c[n-]c4nn(-c5ccccc5)c(=O)c-4c3C2)cc1OC ZINC000009306863 571246769 /nfs/dbraw/zinc/24/67/69/571246769.db2.gz WLEXTQKTJIVJIH-HNNXBMFYSA-N -1 3 415.449 3.644 50 0 HHAAHM Nc1nn2c([n-]1)nc(CSc1nc(-c3ccccc3)c(-c3ccccc3)o1)cc2=O ZINC000105432570 571314429 /nfs/dbraw/zinc/31/44/29/571314429.db2.gz IDMKQMQFJIYIQB-UHFFFAOYSA-N -1 3 416.466 3.614 50 0 HHAAHM COc1ccccc1N1CCN(c2nc(C)c(Cc3ccc(Cl)cc3)c(=O)[n-]2)CC1 ZINC000009625938 132341908 /nfs/dbraw/zinc/34/19/08/132341908.db2.gz KYZOBDBFTDENIK-UHFFFAOYSA-N -1 3 424.932 3.658 50 0 HHAAHM CC1CCN(C(=O)c2csc(S(=O)(=O)[N-][C@H]3CCCc4ccccc43)c2)CC1 ZINC000045961675 520990324 /nfs/dbraw/zinc/99/03/24/520990324.db2.gz INVBTLWHVBWBPK-IBGZPJMESA-N -1 3 418.584 3.976 50 0 HHAAHM CCc1cccc(NC(=O)CSc2nc(-c3ccccc3C)nc3cc(=O)[n-]n32)c1 ZINC000021911234 521754197 /nfs/dbraw/zinc/75/41/97/521754197.db2.gz VXOURRDEEWCSEM-UHFFFAOYSA-N -1 3 419.510 3.686 50 0 HHAAHM CCN1CCN(c2ccc(Cl)cc2[N-]S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000007364689 535745854 /nfs/dbraw/zinc/74/58/54/535745854.db2.gz BVLQUOLHXSATRU-UHFFFAOYSA-N -1 3 414.358 3.936 50 0 HHAAHM COc1ccccc1[C@@H]1[C@@H](C(=O)[N-]C2=NCCS2)CCC(=O)N1c1ccc(C)cc1 ZINC000013019978 537105259 /nfs/dbraw/zinc/10/52/59/537105259.db2.gz VASXCHITDUPXSW-GHTZIAJQSA-N -1 3 423.538 3.707 50 0 HHAAHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(-c3csc(C)n3)s2)cc1OC ZINC000001023448 557144478 /nfs/dbraw/zinc/14/44/78/557144478.db2.gz MXUVFVBCYGEQOO-UHFFFAOYSA-N -1 3 424.569 3.718 50 0 HHAAHM CCOC(=O)c1c2c(sc1NC(=O)[C@@H]1CC(c3ccccc3[O-])=NO1)CCCC2 ZINC000001126402 557195611 /nfs/dbraw/zinc/19/56/11/557195611.db2.gz CDHSWCPLSWIFOO-INIZCTEOSA-N -1 3 414.483 3.641 50 0 HHAAHM CCOc1cc(C(=O)NC(=S)Nc2ccccc2[O-])cc(OCC)c1OCC ZINC000001181499 557231105 /nfs/dbraw/zinc/23/11/05/557231105.db2.gz LQYRFLZNQZMBNK-UHFFFAOYSA-N -1 3 404.488 3.715 50 0 HHAAHM Cc1cccc(-c2noc(CSc3nc4[n-]ncc4c(=O)n3-c3ccccc3)n2)c1 ZINC000033292193 557314115 /nfs/dbraw/zinc/31/41/15/557314115.db2.gz YIIYZNSXMPZAHY-UHFFFAOYSA-N -1 3 416.466 3.760 50 0 HHAAHM Cc1cccc(-c2noc(CSc3nc4n[n-]cc4c(=O)n3-c3ccccc3)n2)c1 ZINC000033292193 557314116 /nfs/dbraw/zinc/31/41/16/557314116.db2.gz YIIYZNSXMPZAHY-UHFFFAOYSA-N -1 3 416.466 3.760 50 0 HHAAHM CCOP(=O)(OCC)[C@@H]([N-]S(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl ZINC000002686440 557367826 /nfs/dbraw/zinc/36/78/26/557367826.db2.gz JOSHPJOYPURCIO-LLVKDONJSA-N -1 3 424.670 3.927 50 0 HHAAHM COc1c(F)c(F)c(C(=O)[N-]c2sc3c(c2C(N)=O)CC[C@@H](C)C3)c(F)c1F ZINC000002890717 557423549 /nfs/dbraw/zinc/42/35/49/557423549.db2.gz DRBCBUUCIQNXIV-ZCFIWIBFSA-N -1 3 416.396 3.789 50 0 HHAAHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000006277062 557697649 /nfs/dbraw/zinc/69/76/49/557697649.db2.gz DUQXBCAPAMQUBJ-UHFFFAOYSA-N -1 3 401.388 3.509 50 0 HHAAHM Cc1cc2c(nc(C)n([N-]C(=O)[C@@H](C)n3nc(C(F)F)c(Cl)c3C)c2=O)s1 ZINC000002777574 557761019 /nfs/dbraw/zinc/76/10/19/557761019.db2.gz QKELTMKCPQYVNK-MRVPVSSYSA-N -1 3 415.853 3.502 50 0 HHAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)cc1 ZINC000022698451 557794278 /nfs/dbraw/zinc/79/42/78/557794278.db2.gz JDHCIODFUBJSIR-UHFFFAOYSA-N -1 3 411.531 3.958 50 0 HHAAHM Cc1cccc(OCC(=O)Nc2cccc(Oc3ccc4c(c3)C(=O)[N-]C4=O)c2)c1 ZINC000009584712 557846198 /nfs/dbraw/zinc/84/61/98/557846198.db2.gz IMAIKISMBRVJAB-UHFFFAOYSA-N -1 3 402.406 3.688 50 0 HHAAHM COc1cc(OC)cc(-c2nnc([N-]C(=O)c3ccc(Br)s3)o2)c1 ZINC000004330133 558261373 /nfs/dbraw/zinc/26/13/73/558261373.db2.gz OGGDZISGKZCTPL-UHFFFAOYSA-N -1 3 410.249 3.830 50 0 HHAAHM CCCc1c(C)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[n-]c1=O ZINC000019943062 558314203 /nfs/dbraw/zinc/31/42/03/558314203.db2.gz AZQVFEBAHPQBTK-UHFFFAOYSA-N -1 3 402.542 3.942 50 0 HHAAHM Cc1ccccc1CS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2ccccc2F)n1 ZINC000012063026 558317455 /nfs/dbraw/zinc/31/74/55/558317455.db2.gz HPAIDZCHNZRKSF-UHFFFAOYSA-N -1 3 419.865 3.804 50 0 HHAAHM CN(CCc1ccccc1)C(=O)C(=C([O-])c1ccccc1)n1cc(Cl)ccc1=O ZINC000020158395 558342314 /nfs/dbraw/zinc/34/23/14/558342314.db2.gz GQZFFNLOKDTWKD-NRFANRHFSA-N -1 3 408.885 3.627 50 0 HHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnc4n3CCCCC4)c2)cc1 ZINC000023042606 558531485 /nfs/dbraw/zinc/53/14/85/558531485.db2.gz AJNNECBTYMRCQN-UHFFFAOYSA-N -1 3 416.478 3.620 50 0 HHAAHM CSc1nnc(NC(=O)c2cc3nccc(-c4ccc5ccccc5c4)n3n2)[n-]1 ZINC000013644384 558556229 /nfs/dbraw/zinc/55/62/29/558556229.db2.gz IWUGJJWIJPLMGM-UHFFFAOYSA-N -1 3 401.455 3.642 50 0 HHAAHM CSc1n[n-]c(NC(=O)c2cc3nccc(-c4ccc5ccccc5c4)n3n2)n1 ZINC000013644384 558556230 /nfs/dbraw/zinc/55/62/30/558556230.db2.gz IWUGJJWIJPLMGM-UHFFFAOYSA-N -1 3 401.455 3.642 50 0 HHAAHM COc1ccc(-c2cc(NC(=O)c3ccc(-c4nnn[n-]4)cc3)ccc2OC)cc1 ZINC000014168404 558626890 /nfs/dbraw/zinc/62/68/90/558626890.db2.gz ODARZQKIOCXNGG-UHFFFAOYSA-N -1 3 401.426 3.803 50 0 HHAAHM COc1ccc(-c2cc(NC(=O)c3ccc(-c4nn[n-]n4)cc3)ccc2OC)cc1 ZINC000014168404 558626894 /nfs/dbraw/zinc/62/68/94/558626894.db2.gz ODARZQKIOCXNGG-UHFFFAOYSA-N -1 3 401.426 3.803 50 0 HHAAHM COC(=O)[C@@]([O-])(c1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1)C(F)(F)F ZINC000003082337 558747443 /nfs/dbraw/zinc/74/74/43/558747443.db2.gz ZJWLIVWEUHJNRD-KRWDZBQOSA-N -1 3 401.768 3.540 50 0 HHAAHM O=S(=O)([N-]C1(c2cccc(F)c2)CCOCC1)c1ccc(Br)s1 ZINC000072302002 558752641 /nfs/dbraw/zinc/75/26/41/558752641.db2.gz ZKIHNSZMJBQLGG-UHFFFAOYSA-N -1 3 420.325 3.634 50 0 HHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCC(C)C)CC3)cc2)c(C)c1 ZINC000033115539 558761793 /nfs/dbraw/zinc/76/17/93/558761793.db2.gz OAYTYRDEJGIBTQ-UHFFFAOYSA-N -1 3 400.544 3.908 50 0 HHAAHM Cc1c([O-])ccc2c(C)c(CC(=O)NCCn3ccc4ccc(F)cc43)c(=O)oc12 ZINC000072324481 558861617 /nfs/dbraw/zinc/86/16/17/558861617.db2.gz LNQJLWMRBSJHSC-UHFFFAOYSA-N -1 3 408.429 3.568 50 0 biogenic HHAAHM Cc1ccc(C[N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)[nH]n3)sc2C)o1 ZINC000033173874 558902000 /nfs/dbraw/zinc/90/20/00/558902000.db2.gz DAQKSSVNMAPPLV-UHFFFAOYSA-N -1 3 405.423 3.845 50 0 HHAAHM CCN(CC)C(=O)Cn1ccc2cc([N-]S(=O)(=O)c3ccc(C)cc3C)ccc21 ZINC000058440712 558927576 /nfs/dbraw/zinc/92/75/76/558927576.db2.gz KAQANVQLCGVWAB-UHFFFAOYSA-N -1 3 413.543 3.927 50 0 HHAAHM O=c1c2c[n-]nc2nc(SCc2nc(-c3ccc(F)cc3)no2)n1-c1ccccc1 ZINC000033292195 559045965 /nfs/dbraw/zinc/04/59/65/559045965.db2.gz IPSVDTXEGMNFEN-UHFFFAOYSA-N -1 3 420.429 3.590 50 0 HHAAHM O=c1c2cn[n-]c2nc(SCc2nc(-c3ccc(F)cc3)no2)n1-c1ccccc1 ZINC000033292195 559045966 /nfs/dbraw/zinc/04/59/66/559045966.db2.gz IPSVDTXEGMNFEN-UHFFFAOYSA-N -1 3 420.429 3.590 50 0 HHAAHM O=S(=O)([N-]Cc1ccc(Br)cc1)c1ccc(Br)cc1F ZINC000098073022 559126692 /nfs/dbraw/zinc/12/66/92/559126692.db2.gz XSCOPDQSWIGCKW-UHFFFAOYSA-N -1 3 423.101 3.829 50 0 HHAAHM Cc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(Cl)cc2)cc1 ZINC000100736442 559138856 /nfs/dbraw/zinc/13/88/56/559138856.db2.gz ZYSNZAHLHRYOLQ-RVKKMQEKSA-N -1 3 412.795 3.752 50 0 HHAAHM CC(C)C(=O)N1CCN(Cn2nc(-c3cc(Cl)ccc3Cl)[n-]c2=S)CC1 ZINC000014245577 559161883 /nfs/dbraw/zinc/16/18/83/559161883.db2.gz ZEQAKCRXWQCAIP-UHFFFAOYSA-N -1 3 414.362 3.672 50 0 HHAAHM CCc1ccccc1NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000004874065 559194904 /nfs/dbraw/zinc/19/49/04/559194904.db2.gz UECPEPGJNTXJRF-LJQANCHMSA-N -1 3 414.552 3.839 50 0 HHAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2cc(-c3ccc(Cl)c(Cl)c3)n[nH]2)N1 ZINC000006394456 560737158 /nfs/dbraw/zinc/73/71/58/560737158.db2.gz QYVGPGYQEIVMHL-CQSZACIVSA-N -1 3 407.179 3.856 50 0 HHAAHM [O-]C(c1ccccc1)=C1[C@@H](c2ccc(Cl)cc2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000169680864 560765438 /nfs/dbraw/zinc/76/54/38/560765438.db2.gz KVPDPAYJXWEZAU-VBQJREDUSA-N -1 3 414.836 3.609 50 0 HHAAHM Cc1cccc(C)c1NCc1cc(=O)n2nc(NCc3ccc(Cl)cc3)[n-]c2n1 ZINC000101795916 560801516 /nfs/dbraw/zinc/80/15/16/560801516.db2.gz HXNLPLNCULRDCW-UHFFFAOYSA-N -1 3 408.893 3.912 50 0 HHAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@H]2c1ccncc1 ZINC000102735989 560822852 /nfs/dbraw/zinc/82/28/52/560822852.db2.gz DVBZCJRJEDPHLH-SLFFLAALSA-N -1 3 405.841 3.786 50 0 HHAAHM Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3C)nc3c2nc[n-]c3=O)cc1 ZINC000085704094 560854883 /nfs/dbraw/zinc/85/48/83/560854883.db2.gz PTFTZMYMLRIXKH-UHFFFAOYSA-N -1 3 423.473 3.596 50 0 HHAAHM O=S(=O)([N-]Cc1nc2cccnc2n1Cc1ccccc1Cl)c1cccs1 ZINC000047146325 560882198 /nfs/dbraw/zinc/88/21/98/560882198.db2.gz GRWYFHMTRUVUOT-UHFFFAOYSA-N -1 3 418.931 3.673 50 0 HHAAHM COc1cc(Nc2ccc([N-]S(=O)(=O)c3ccc(OC)c(C)c3)cc2)nc(C)n1 ZINC000012226172 560894289 /nfs/dbraw/zinc/89/42/89/560894289.db2.gz RLADGOBPFNELIW-UHFFFAOYSA-N -1 3 414.487 3.655 50 0 HHAAHM Cc1ccc(/C=C/S(=O)(=O)[N-]c2ccc(OCCO)cc2C(F)(F)F)cc1 ZINC000048275118 568435516 /nfs/dbraw/zinc/43/55/16/568435516.db2.gz GCZNJJIGYWYUAF-DHZHZOJOSA-N -1 3 401.406 3.798 50 0 HHAAHM O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cc(Br)ccc1[O-] ZINC000095365182 568602086 /nfs/dbraw/zinc/60/20/86/568602086.db2.gz LIJUWISSTSGKPM-UHFFFAOYSA-N -1 3 407.283 3.688 50 0 HHAAHM COc1cc(CNC(=O)[C@@H]2SCCc3sccc32)cc(Br)c1[O-] ZINC000095404212 568605704 /nfs/dbraw/zinc/60/57/04/568605704.db2.gz NTTARTPQBIIDTA-OAHLLOKOSA-N -1 3 414.346 3.872 50 0 HHAAHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3ccc(Cl)c(Cl)c3n2)c(C)o1 ZINC000095463214 568621863 /nfs/dbraw/zinc/62/18/63/568621863.db2.gz HXFRMUHWLDHZOK-UHFFFAOYSA-N -1 3 414.270 3.603 50 0 HHAAHM COc1ccc(-n2cc(C(=O)Nc3ccccc3[O-])c3ccccc3c2=O)c(OC)c1 ZINC000095476118 568630274 /nfs/dbraw/zinc/63/02/74/568630274.db2.gz IOSWKJNGHMBZQP-UHFFFAOYSA-N -1 3 416.433 3.966 50 0 HHAAHM COC(=O)c1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCCCC2)cc1 ZINC000095479874 568632876 /nfs/dbraw/zinc/63/28/76/568632876.db2.gz PFMMPHRIVFXTAM-KRWDZBQOSA-N -1 3 401.488 3.892 50 0 HHAAHM COc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)c(F)c1 ZINC000096117951 568697627 /nfs/dbraw/zinc/69/76/27/568697627.db2.gz UJNGKIFWQKECIP-GTNSWQLSSA-N -1 3 421.494 3.641 50 0 HHAAHM O=c1[n-]n(C2CCSCC2)c2c1[C@@H](c1cccc3cccnc31)SCC(=O)N2 ZINC000096118393 568698163 /nfs/dbraw/zinc/69/81/63/568698163.db2.gz YZCGTUQIFXSWLE-GOSISDBHSA-N -1 3 412.540 3.980 50 0 HHAAHM COC(=O)c1nc(NC(=O)c2[n-]nc3c2COc2ccccc2-3)sc1CC(C)C ZINC000096231828 568707583 /nfs/dbraw/zinc/70/75/83/568707583.db2.gz TUXDFUKFQKPATR-UHFFFAOYSA-N -1 3 412.471 3.663 50 0 HHAAHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)c1 ZINC000229958549 568715944 /nfs/dbraw/zinc/71/59/44/568715944.db2.gz QFVMNMQOBFOZIG-BHDDXSALSA-N -1 3 400.434 3.752 50 0 HHAAHM Cc1cc(F)ccc1NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000021651523 568729314 /nfs/dbraw/zinc/72/93/14/568729314.db2.gz YFUURCLIOHQIDV-SFHVURJKSA-N -1 3 418.515 3.724 50 0 HHAAHM Cc1ccc(-n2ncc3c2nc(SCC(=O)OCc2ccccc2)[n-]c3=O)cc1C ZINC000002718046 568802524 /nfs/dbraw/zinc/80/25/24/568802524.db2.gz HMMFRQRXCSMSLF-UHFFFAOYSA-N -1 3 420.494 3.973 50 0 HHAAHM COc1ccc(/C=C2/SC(=O)N(CCCC(=O)Nc3ccccc3[O-])C2=O)cc1 ZINC000001184580 568822325 /nfs/dbraw/zinc/82/23/25/568822325.db2.gz MEWMMGOXTQGLCE-QGOAFFKASA-N -1 3 412.467 3.856 50 0 HHAAHM O=C(Nc1ccccc1Cl)c1ccc(F)c(S(=O)(=O)[N-]Cc2ccco2)c1 ZINC000003022040 568840336 /nfs/dbraw/zinc/84/03/36/568840336.db2.gz HTHVOIYTDZTZNW-UHFFFAOYSA-N -1 3 408.838 3.803 50 0 HHAAHM Cc1cc2nc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)[n-]c(=O)c2[nH]1 ZINC000057520878 568849949 /nfs/dbraw/zinc/84/99/49/568849949.db2.gz KYAYLFZIBWTNIA-UHFFFAOYSA-N -1 3 416.812 3.963 50 0 HHAAHM Cc1ccc(C)c(-n2c(=O)c([C@H]3NCCc4c5ccccc5[nH]c43)c([O-])[nH]c2=S)c1 ZINC000001322733 568914719 /nfs/dbraw/zinc/91/47/19/568914719.db2.gz SVZNUEHNBHFUAH-HXUWFJFHSA-N -1 3 418.522 3.560 50 0 biogenic HHAAHM CN1C(=S)N(C)[C@](O)(C(F)(F)F)C(=C([O-])c2ccccc2)[C@@H]1c1ccccc1 ZINC000012699532 568917113 /nfs/dbraw/zinc/91/71/13/568917113.db2.gz OWWAMICVOITCEG-TXPKVOOTSA-N -1 3 408.445 3.640 50 0 HHAAHM CN(CC(=O)Nc1cccc(F)c1)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000012766495 568948561 /nfs/dbraw/zinc/94/85/61/568948561.db2.gz ZEPSXZAHFHLXRY-UHFFFAOYSA-N -1 3 422.485 3.861 50 0 HHAAHM CSc1nc2ccc(NC(=O)C(=S)[N-]C(=O)c3ccc(F)cc3)cc2s1 ZINC000004194688 568951170 /nfs/dbraw/zinc/95/11/70/568951170.db2.gz JUEPLLANRKMREJ-UHFFFAOYSA-N -1 3 405.501 3.853 50 0 HHAAHM COc1ccc([C@H](CNC(=O)c2cc(Br)ccc2[O-])N2CCCC2)cc1 ZINC000012777701 568955988 /nfs/dbraw/zinc/95/59/88/568955988.db2.gz IDBIIICEKOSNTP-SFHVURJKSA-N -1 3 419.319 3.730 50 0 HHAAHM Cc1ccc(-c2csc3[n-]c(CSc4nnnn4C4CC4)nc(=O)c23)s1 ZINC000008013179 568968344 /nfs/dbraw/zinc/96/83/44/568968344.db2.gz WBRWWMKMCHJIPQ-UHFFFAOYSA-N -1 3 402.530 3.635 50 0 HHAAHM Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)c([O-])c1 ZINC000008133117 568976246 /nfs/dbraw/zinc/97/62/46/568976246.db2.gz XAFHFZXFEZFBBZ-UHFFFAOYSA-N -1 3 417.303 3.954 50 0 HHAAHM Cc1cc(-c2ccc(S(=O)(=O)[N-]C3CCN(Cc4ccccc4)CC3)s2)on1 ZINC000015731245 568981659 /nfs/dbraw/zinc/98/16/59/568981659.db2.gz YSQVMOMNRGJBCJ-UHFFFAOYSA-N -1 3 417.556 3.654 50 0 HHAAHM CCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc21 ZINC000015781475 569002527 /nfs/dbraw/zinc/00/25/27/569002527.db2.gz DDLPSGIPQIRSGZ-UHFFFAOYSA-N -1 3 422.572 3.515 50 0 HHAAHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CCc1ccccc1 ZINC000012918565 569022758 /nfs/dbraw/zinc/02/27/58/569022758.db2.gz RXOWEYMVOLKDDF-UHFFFAOYSA-N -1 3 404.713 3.632 50 0 HHAAHM COc1ccc(F)cc1S(=O)(=O)[N-]Cc1ccc([C@@H](O)c2cccs2)s1 ZINC000090749948 569049270 /nfs/dbraw/zinc/04/92/70/569049270.db2.gz MVGQMOAWJXLDRY-KRWDZBQOSA-N -1 3 413.517 3.518 50 0 HHAAHM O=S(=O)([N-]c1cc(-c2nnc3n2CCCCC3)c(F)cc1F)c1cccc(F)c1 ZINC000013008078 569049878 /nfs/dbraw/zinc/04/98/78/569049878.db2.gz AXXWWOIKLQVCCX-UHFFFAOYSA-N -1 3 422.432 3.890 50 0 HHAAHM COc1ccc(Br)cc1CNC(=O)c1cc(-c2ccccc2[O-])on1 ZINC000006750133 569109053 /nfs/dbraw/zinc/10/90/53/569109053.db2.gz CARIQRDGWFDDKR-UHFFFAOYSA-N -1 3 403.232 3.748 50 0 HHAAHM O=C([N-]c1ccc(F)c(F)c1)c1nnc([C@@H]2CCCN2C(=O)NC2CCCC2)s1 ZINC000064930868 569124483 /nfs/dbraw/zinc/12/44/83/569124483.db2.gz HHXKFQSBNVBZCA-HNNXBMFYSA-N -1 3 421.473 3.858 50 0 HHAAHM CC(C)C(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(c4ccccc4)CC3)c2c1 ZINC000036360001 569151738 /nfs/dbraw/zinc/15/17/38/569151738.db2.gz QYUKQBNYWPPGCA-JOCHJYFZSA-N -1 3 420.513 3.710 50 0 HHAAHM O=C(c1noc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc21)N1CCCCC1 ZINC000065115348 569179354 /nfs/dbraw/zinc/17/93/54/569179354.db2.gz XBBWAUHJCPVQMG-UHFFFAOYSA-N -1 3 419.890 3.908 50 0 HHAAHM O=C(C1CCC1)N1CCc2sc(S(=O)(=O)[N-]Cc3ccc(Cl)cc3)cc2C1 ZINC000065196266 569194595 /nfs/dbraw/zinc/19/45/95/569194595.db2.gz PPOURQQBMNMUHW-UHFFFAOYSA-N -1 3 424.975 3.565 50 0 HHAAHM CCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2C1=O ZINC000065241557 569201755 /nfs/dbraw/zinc/20/17/55/569201755.db2.gz LFHUHVGQHSECIM-UHFFFAOYSA-N -1 3 409.467 3.963 50 0 HHAAHM Cc1ccc(-n2ncc3c2nc(SCC(=O)Nc2ccc(F)cc2)[n-]c3=O)cc1C ZINC000002718063 569322352 /nfs/dbraw/zinc/32/23/52/569322352.db2.gz SLZJWBZAFQPAJV-UHFFFAOYSA-N -1 3 423.473 3.596 50 0 HHAAHM Cc1cc(C)cc(-n2c(O)c([C@@H]3NCCc4c5ccccc5[nH]c43)c(=O)[n-]c2=S)c1 ZINC000009109236 569391520 /nfs/dbraw/zinc/39/15/20/569391520.db2.gz DFRAKKUHVVGWDS-FQEVSTJZSA-N -1 3 418.522 3.934 50 0 biogenic HHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Nc3ccc(-n4cccn4)nn3)cc2)c(C)c1 ZINC000013009947 569407235 /nfs/dbraw/zinc/40/72/35/569407235.db2.gz LDJJRVQNKNZVNS-UHFFFAOYSA-N -1 3 420.498 3.824 50 0 HHAAHM CC(C)(C)[N-]S(=O)(=O)c1cc(NCc2ccc(N3CCCC3)nc2)ccc1F ZINC000328593558 569415492 /nfs/dbraw/zinc/41/54/92/569415492.db2.gz ITQLFAJLBHIWMM-UHFFFAOYSA-N -1 3 406.527 3.510 50 0 HHAAHM Cc1ccc(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1F ZINC000008735912 571109919 /nfs/dbraw/zinc/10/99/19/571109919.db2.gz VQOCOUZSTPBDCS-UHFFFAOYSA-N -1 3 409.446 3.699 50 0 HHAAHM CCCN1c2ccc([N-]S(=O)(=O)c3cc(C)c(OC)c(C)c3)cc2CCC1=O ZINC000008840584 571123614 /nfs/dbraw/zinc/12/36/14/571123614.db2.gz MQQFICMVRLTAEL-UHFFFAOYSA-N -1 3 402.516 3.802 50 0 HHAAHM CCOC(=O)c1cc([N-]C(=O)c2oc3c(c2C)C(=O)CCC3)cc(C(=O)OCC)c1 ZINC000040129229 571180371 /nfs/dbraw/zinc/18/03/71/571180371.db2.gz WPYLCOXDNWAXAV-UHFFFAOYSA-N -1 3 413.426 3.713 50 0 HHAAHM Cc1ccc(Cn2ncc([C@@]([O-])(c3nc4ccccc4s3)C(F)(F)F)c2N)o1 ZINC000008986622 571205995 /nfs/dbraw/zinc/20/59/95/571205995.db2.gz MCKSPEQSXPACJN-QGZVFWFLSA-N -1 3 408.405 3.823 50 0 HHAAHM CN1c2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)ccc2OCC(C)(C)C1=O ZINC000009170022 571233565 /nfs/dbraw/zinc/23/35/65/571233565.db2.gz JDZCXOXAOFDTGP-UHFFFAOYSA-N -1 3 414.527 3.748 50 0 HHAAHM COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccc3n[n-]nc3c1)CC2 ZINC000009466876 571261144 /nfs/dbraw/zinc/26/11/44/571261144.db2.gz CNYCJYAZGQLTFV-OAQYLSRUSA-N -1 3 420.494 3.825 50 0 HHAAHM O=C(Nc1ccc(F)c(F)c1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000009673336 571278737 /nfs/dbraw/zinc/27/87/37/571278737.db2.gz ZTHCQKKAZPIUCO-QGZVFWFLSA-N -1 3 422.478 3.555 50 0 HHAAHM CN1OC[C@@H](S(=O)(=O)[N-]Cc2cccc(F)c2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000034738774 571316504 /nfs/dbraw/zinc/31/65/04/571316504.db2.gz WVASQQZUTSBOAC-IAGOWNOFSA-N -1 3 419.305 3.539 50 0 HHAAHM COCCn1c(-c2ccc([O-])c(C(N)=O)c2)csc1=Nc1ccc(C)c(Cl)c1 ZINC000254765146 970579532 /nfs/dbraw/zinc/57/95/32/970579532.db2.gz MZVWVEVOUDZTTP-UHFFFAOYSA-N -1 3 417.918 3.862 50 0 HHAAHM CC(=O)Nc1cc(C)nn1-c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000032833576 519704066 /nfs/dbraw/zinc/70/40/66/519704066.db2.gz VSJWKUCTBJDXJB-UHFFFAOYSA-N -1 3 404.879 3.593 50 0 HHAAHM Cc1cc(S(=O)(=O)[N-]CC2CCN(c3ccccn3)CC2)c(Cl)cc1Cl ZINC000043955346 525407463 /nfs/dbraw/zinc/40/74/63/525407463.db2.gz LYRNCFNXPVYJSB-UHFFFAOYSA-N -1 3 414.358 3.892 50 0 HHAAHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(I)cc2)cc1C ZINC000000644648 557034667 /nfs/dbraw/zinc/03/46/67/557034667.db2.gz XCFYYTMSXIJBNJ-UHFFFAOYSA-N -1 3 417.268 3.717 50 0 HHAAHM CCC1=NN(C(=O)c2cccc(C)c2[O-])[C@@](O)(c2ccc(Br)cc2)C1 ZINC000000799716 557084355 /nfs/dbraw/zinc/08/43/55/557084355.db2.gz LGYOCSHRHBHVNU-IBGZPJMESA-N -1 3 403.276 3.920 50 0 HHAAHM COc1ccc(CC[N-]S(=O)(=O)c2cc(C)c(Cl)cc2Cl)cc1OC ZINC000001044226 557155200 /nfs/dbraw/zinc/15/52/00/557155200.db2.gz RAQQCXKKSAULND-UHFFFAOYSA-N -1 3 404.315 3.840 50 0 HHAAHM COC(=O)c1sc([N-]C(=O)c2c(C)onc2-c2ccccc2)c(C(=O)OC)c1C ZINC000001200198 557238927 /nfs/dbraw/zinc/23/89/27/557238927.db2.gz MZZOEQQSYUWWRU-UHFFFAOYSA-N -1 3 414.439 3.845 50 0 HHAAHM COC(=O)[C@@]([O-])(c1ccc(N(C)C(=O)Nc2cccc(Cl)c2)cc1)C(F)(F)F ZINC000002027025 557299409 /nfs/dbraw/zinc/29/94/09/557299409.db2.gz FGJOTGPVOUWFCR-KRWDZBQOSA-N -1 3 416.783 3.931 50 0 HHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C(C)C)cc2)c(C)c1 ZINC000002137076 557317538 /nfs/dbraw/zinc/31/75/38/557317538.db2.gz LXWYQTOSBOIYDC-UHFFFAOYSA-N -1 3 405.545 3.573 50 0 HHAAHM O=C1Nc2ccc(Br)cc2/C1=C1/SC(=O)N(c2ccc([O-])cc2)C1=O ZINC000002283387 557334136 /nfs/dbraw/zinc/33/41/36/557334136.db2.gz FIUOTBNYNWBMGX-YPKPFQOOSA-N -1 3 417.240 3.718 50 0 HHAAHM CCOC(=O)[C@]([N-]c1ccc(F)c(Cl)c1)(NC(=O)c1ccco1)C(F)(F)F ZINC000003103582 557446976 /nfs/dbraw/zinc/44/69/76/557446976.db2.gz FETYVMRFVYANMO-HNNXBMFYSA-N -1 3 408.735 3.736 50 0 HHAAHM COC(=O)[C@@]([O-])(c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1)C(F)(F)F ZINC000003103536 557447042 /nfs/dbraw/zinc/44/70/42/557447042.db2.gz ZLXFYGTXYPGSPW-INIZCTEOSA-N -1 3 402.756 3.907 50 0 HHAAHM Cc1ccnn1[C@@H](C)c1n[n-]c(=S)n1-c1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000002731454 557754570 /nfs/dbraw/zinc/75/45/70/557754570.db2.gz YCFPSDNJIOOQQT-KRWDZBQOSA-N -1 3 407.547 3.840 50 0 HHAAHM CCc1cccc(NC(=O)CSc2nc3c(nc[n-]c3=O)n2-c2ccc(C)cc2)c1 ZINC000012413501 558401645 /nfs/dbraw/zinc/40/16/45/558401645.db2.gz RRPJTNQHTGZZHN-UHFFFAOYSA-N -1 3 419.510 3.710 50 0 biogenic,in-vitro HHAAHM Cc1nn(-c2ncccn2)c2c1C(=C([O-])c1ccc(Br)cc1)CC(=O)N2 ZINC000020730854 558406637 /nfs/dbraw/zinc/40/66/37/558406637.db2.gz ZGRHHLCWWYBALD-CYBMUJFWSA-N -1 3 412.247 3.691 50 0 HHAAHM O=C(CN1CCC(C(=O)Nc2ccccc2[O-])CC1)Nc1c(Cl)cccc1Cl ZINC000012797108 558469499 /nfs/dbraw/zinc/46/94/99/558469499.db2.gz OKTPRBXXPNMRIO-UHFFFAOYSA-N -1 3 422.312 3.988 50 0 HHAAHM CCOc1ccc(CN2CCN(Cc3ccc([O-])c(Cl)c3)C[C@@H]2CCO)cc1 ZINC000023375507 558554787 /nfs/dbraw/zinc/55/47/87/558554787.db2.gz WNYIEJZEOGQMMJ-IBGZPJMESA-N -1 3 404.938 3.513 50 0 HHAAHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)NCc2ccco2)c(Cl)cc1Cl ZINC000014240811 558643728 /nfs/dbraw/zinc/64/37/28/558643728.db2.gz QJQWWONOMGFIHJ-LLVKDONJSA-N -1 3 419.330 3.983 50 0 HHAAHM CN(C)C(=O)[C@@H](Sc1n[n-]c(COc2ccc(Cl)cc2)n1)c1ccccc1 ZINC000026474139 558661622 /nfs/dbraw/zinc/66/16/22/558661622.db2.gz AJQXNLPEZSGKCR-KRWDZBQOSA-N -1 3 402.907 3.959 50 0 HHAAHM COc1ccccc1CN(Cc1cccs1)C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000030476676 558730818 /nfs/dbraw/zinc/73/08/18/558730818.db2.gz WDEGDBDHYGNZLU-UHFFFAOYSA-N -1 3 405.483 3.779 50 0 HHAAHM COc1ccccc1CN(Cc1cccs1)C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000030476676 558730820 /nfs/dbraw/zinc/73/08/20/558730820.db2.gz WDEGDBDHYGNZLU-UHFFFAOYSA-N -1 3 405.483 3.779 50 0 HHAAHM CCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(CCC)cc3)cc2)CC1 ZINC000033274887 558764831 /nfs/dbraw/zinc/76/48/31/558764831.db2.gz MDUPPHISEOEXGS-UHFFFAOYSA-N -1 3 400.544 3.998 50 0 HHAAHM Cc1nn(C)cc1CN(C)Cc1ccc(-c2nc(C(F)(F)F)c(C)c(=O)[n-]2)cc1 ZINC000048488375 558845560 /nfs/dbraw/zinc/84/55/60/558845560.db2.gz LYLNFELOXWGCAC-UHFFFAOYSA-N -1 3 405.424 3.850 50 0 HHAAHM COc1ccccc1N1CC[C@H](C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000060339249 558852048 /nfs/dbraw/zinc/85/20/48/558852048.db2.gz UEWKNVAGDLMCHO-CQSZACIVSA-N -1 3 414.449 3.519 50 0 HHAAHM O=C(C(=C([O-])c1ccccc1)n1ccccc1=O)N1CCC(Cc2ccccc2)CC1 ZINC000004677329 558889371 /nfs/dbraw/zinc/88/93/71/558889371.db2.gz UREKNKDSDFRKIA-XMMPIXPASA-N -1 3 414.505 3.754 50 0 HHAAHM O=C(OCc1cc2c(cc1Br)OCCO2)c1cc(-c2ccco2)n[n-]1 ZINC000058283055 558916435 /nfs/dbraw/zinc/91/64/35/558916435.db2.gz BEEHTPDIXGVEOQ-UHFFFAOYSA-N -1 3 405.204 3.560 50 0 HHAAHM O=C(OCc1cc2c(cc1Br)OCCO2)c1cc(-c2ccco2)[n-]n1 ZINC000058283055 558916436 /nfs/dbraw/zinc/91/64/36/558916436.db2.gz BEEHTPDIXGVEOQ-UHFFFAOYSA-N -1 3 405.204 3.560 50 0 HHAAHM Cc1oc(-c2ccccc2)nc1CC[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000058358262 558921934 /nfs/dbraw/zinc/92/19/34/558921934.db2.gz BMQLXQWWPZUJHQ-UHFFFAOYSA-N -1 3 412.298 3.873 50 0 HHAAHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1nn(-c2ccccc2)c2c1CCCCC2 ZINC000058429927 558926448 /nfs/dbraw/zinc/92/64/48/558926448.db2.gz JPZVHEFWUGLFIG-UHFFFAOYSA-N -1 3 424.526 3.765 50 0 HHAAHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)N(Cc3ccccc3)C(C)C)cc(C(C)C)nc21 ZINC000059855472 558939712 /nfs/dbraw/zinc/93/97/12/558939712.db2.gz DNYMPARBSRRESY-UHFFFAOYSA-N -1 3 422.529 3.669 50 0 HHAAHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cc3c(cc2Cl)n(C)c(=O)n3C)c1C ZINC000064591833 558964660 /nfs/dbraw/zinc/96/46/60/558964660.db2.gz GQGYOXUDQRNIIY-UHFFFAOYSA-N -1 3 407.923 3.565 50 0 HHAAHM Cc1nc(Nc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)cc(N(C)C)n1 ZINC000033318459 559055914 /nfs/dbraw/zinc/05/59/14/559055914.db2.gz RFFINLKQPRPNAU-UHFFFAOYSA-N -1 3 401.467 3.535 50 0 HHAAHM CCN(CC)c1ccc(NC(=O)[C@H]([N-]S(=O)(=O)c2cccs2)C(C)C)c(C)c1 ZINC000004787555 559064283 /nfs/dbraw/zinc/06/42/83/559064283.db2.gz UHQYZDNAZCKRGM-LJQANCHMSA-N -1 3 423.604 3.844 50 0 HHAAHM CCNC(=O)N(Cc1ccco1)Cc1nc(C)c(Cc2cc(C)ccc2C)c(=O)[n-]1 ZINC000096317887 559109798 /nfs/dbraw/zinc/10/97/98/559109798.db2.gz FGRJZNFRECYLRQ-UHFFFAOYSA-N -1 3 408.502 3.611 50 0 HHAAHM CCOc1ccc(-n2c(O)c3n(-c4ccccc4)[n-]c(-c4ccccc4)c-3c2=O)cc1 ZINC000100563584 559136561 /nfs/dbraw/zinc/13/65/61/559136561.db2.gz WCMHVJXKHSMQGI-FYYLOGMGSA-N -1 3 411.461 3.868 50 0 HHAAHM CCc1cccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)c1 ZINC000004874163 559194914 /nfs/dbraw/zinc/19/49/14/559194914.db2.gz XUYTXJPLDNUWPZ-LJQANCHMSA-N -1 3 414.552 3.839 50 0 HHAAHM CCOC(=O)C(Sc1nn(CCOc2ccc(C)cc2)c(=S)s1)=C(C)[O-] ZINC000005047410 559236915 /nfs/dbraw/zinc/23/69/15/559236915.db2.gz QUSYPMYGEYYNMF-AWEZNQCLSA-N -1 3 412.558 3.674 50 0 HHAAHM COCCN1C(=O)c2[nH]nc(-c3cc(Cl)c(C)cc3[O-])c2[C@@H]1c1cccc(O)c1 ZINC000005343623 560566572 /nfs/dbraw/zinc/56/65/72/560566572.db2.gz XETDOPASQLIBDR-FQEVSTJZSA-N -1 3 413.861 3.641 50 0 HHAAHM CCc1ccc([C@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCO)cc1 ZINC000005340498 560567300 /nfs/dbraw/zinc/56/73/00/560567300.db2.gz LRADSPOGRVMFGW-NRFANRHFSA-N -1 3 411.889 3.844 50 0 HHAAHM COc1cc(CN2CCc3cc(OC)c(OC)cc3C2)cc(Br)c1[O-] ZINC000000755742 560725598 /nfs/dbraw/zinc/72/55/98/560725598.db2.gz GEHDHVOPJLNBOV-UHFFFAOYSA-N -1 3 408.292 3.739 50 0 HHAAHM O=S(=O)([N-]CCc1ccccc1)c1cc(Br)ccc1Br ZINC000011635213 560773143 /nfs/dbraw/zinc/77/31/43/560773143.db2.gz YABSGILOJPWAAK-UHFFFAOYSA-N -1 3 419.138 3.733 50 0 HHAAHM Cc1ccc(NCc2cc(=O)n3nc(NCc4ccccc4Cl)[n-]c3n2)cc1C ZINC000101796242 560801530 /nfs/dbraw/zinc/80/15/30/560801530.db2.gz SNNBPMAWZATRQH-UHFFFAOYSA-N -1 3 408.893 3.912 50 0 HHAAHM Cc1ccc(Cl)cc1NCc1cc(=O)n2nc(NCc3ccc(F)cc3)[n-]c2n1 ZINC000101796525 560801666 /nfs/dbraw/zinc/80/16/66/560801666.db2.gz IFGYPBSARIEYSZ-UHFFFAOYSA-N -1 3 412.856 3.743 50 0 HHAAHM Cc1oc(-c2ccccc2)nc1CSc1nc2c(nc[n-]c2=O)n1C[C@H]1CCCO1 ZINC000046031464 568424565 /nfs/dbraw/zinc/42/45/65/568424565.db2.gz MREZSQTUJUYEPW-OAHLLOKOSA-N -1 3 423.498 3.554 50 0 HHAAHM COc1ccc(-n2nc(C)c3c2NC(=O)CC3=C([O-])c2c(OC)cccc2OC)cc1 ZINC000046057815 568426372 /nfs/dbraw/zinc/42/63/72/568426372.db2.gz UWNRUXWRVMOVNW-MRXNPFEDSA-N -1 3 421.453 3.515 50 0 HHAAHM CC(=O)N(C[C@@H]1CCCO1)c1nc(C)c(C(=O)Nc2cc(Cl)ccc2[O-])s1 ZINC000049546797 568451441 /nfs/dbraw/zinc/45/14/41/568451441.db2.gz ADIMYEAFJPDRBO-ZDUSSCGKSA-N -1 3 409.895 3.595 50 0 HHAAHM COC(=O)C1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(OCc4ccccc4)cc32)CC1 ZINC000012322758 568471215 /nfs/dbraw/zinc/47/12/15/568471215.db2.gz BZGHHCMWZJORFY-QFIPXVFZSA-N -1 3 422.481 3.758 50 0 HHAAHM CCOc1cc([C@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OCc1ccccc1 ZINC000020895487 568648810 /nfs/dbraw/zinc/64/88/10/568648810.db2.gz OYRNFSCOWSMZSS-HXUWFJFHSA-N -1 3 413.499 3.665 50 0 HHAAHM COc1ccc(OCc2cccc(C)c2)c([C@H]2SC([N-]C(C)=O)=NN2C(C)=O)c1 ZINC000020896426 568649052 /nfs/dbraw/zinc/64/90/52/568649052.db2.gz BFJJTRBJFKHNTC-HXUWFJFHSA-N -1 3 413.499 3.584 50 0 HHAAHM COc1cccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)c1 ZINC000096117586 568696931 /nfs/dbraw/zinc/69/69/31/568696931.db2.gz FBCOIBNKNCDRQL-CXAGYDPISA-N -1 3 403.504 3.502 50 0 HHAAHM COc1cccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)c1 ZINC000096117585 568696974 /nfs/dbraw/zinc/69/69/74/568696974.db2.gz FBCOIBNKNCDRQL-GUYCJALGSA-N -1 3 403.504 3.502 50 0 HHAAHM COc1cccc2c(=O)c(C(=O)NCCCCCc3nc4ccccc4[nH]3)c[n-]c12 ZINC000096118566 568698461 /nfs/dbraw/zinc/69/84/61/568698461.db2.gz KUDRCANETGLKPZ-UHFFFAOYSA-N -1 3 404.470 3.556 50 0 HHAAHM Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2ccccc2Br)o1 ZINC000096379580 568741258 /nfs/dbraw/zinc/74/12/58/568741258.db2.gz URIFJVCFTNJDJO-UHFFFAOYSA-N -1 3 411.281 3.553 50 0 HHAAHM O=C(CSc1nnc(-c2ccccc2[O-])n1CCc1ccccc1)N1CCCCC1 ZINC000000892322 568741280 /nfs/dbraw/zinc/74/12/80/568741280.db2.gz GMJDPTJZRVGAOJ-UHFFFAOYSA-N -1 3 422.554 3.998 50 0 HHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CN3CCCCC3)c(Cl)c2)cc1 ZINC000000892342 568741500 /nfs/dbraw/zinc/74/15/00/568741500.db2.gz VIGPRBKXNBKOQK-UHFFFAOYSA-N -1 3 421.950 3.874 50 0 HHAAHM O=C1C(=C([O-])c2ccccc2)[C@H](c2ccccc2)CN1S(=O)(=O)c1ccccc1 ZINC000002470645 568773596 /nfs/dbraw/zinc/77/35/96/568773596.db2.gz 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Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)cc1C ZINC000015865788 569016686 /nfs/dbraw/zinc/01/66/86/569016686.db2.gz SRVVYBGTBKVLQQ-LJQANCHMSA-N -1 3 414.552 3.893 50 0 HHAAHM O=C(CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1ccccc1[O-] ZINC000012903939 569021003 /nfs/dbraw/zinc/02/10/03/569021003.db2.gz TZJGTCJWQRINIV-UHFFFAOYSA-N -1 3 402.516 3.528 50 0 HHAAHM COCCN1CCCc2ccc([N-]S(=O)(=O)c3ccc(OCC(C)C)cc3)cc21 ZINC000035588275 569046210 /nfs/dbraw/zinc/04/62/10/569046210.db2.gz LNNRFDHHWGSUDO-UHFFFAOYSA-N -1 3 418.559 3.921 50 0 HHAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)CSCc2ccc(Br)cc2)N1 ZINC000006394816 569046531 /nfs/dbraw/zinc/04/65/31/569046531.db2.gz IFBNTGAVYVIAKR-ZDUSSCGKSA-N -1 3 411.243 3.541 50 0 HHAAHM O=S(=O)([N-]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1cccs1 ZINC000013019088 569051057 /nfs/dbraw/zinc/05/10/57/569051057.db2.gz FSFPEXRKRCLUDL-UHFFFAOYSA-N -1 3 405.372 3.998 50 0 HHAAHM O=S(=O)([N-]Cc1cccs1)c1cc(Br)ccc1Br ZINC000009283761 569086110 /nfs/dbraw/zinc/08/61/10/569086110.db2.gz 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CCOc1ccccc1[N-]C(=O)c1nc(-c2cn(-c3ccc(Cl)cc3)nn2)no1 ZINC000065236747 569202478 /nfs/dbraw/zinc/20/24/78/569202478.db2.gz UDOSEMOBWDVMQQ-UHFFFAOYSA-N -1 3 410.821 3.622 50 0 HHAAHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cccc(N4CCCC4=O)c3)nc(=O)c2c1C ZINC000007212593 569229018 /nfs/dbraw/zinc/22/90/18/569229018.db2.gz VFMRZYAIHKRLBP-LBPRGKRZSA-N -1 3 411.483 3.646 50 0 HHAAHM COc1cc([C@@H]2CC(=O)Nc3c2c(=O)[n-]n3C2CCCCC2)cc(OC)c1OC ZINC000071282950 569252634 /nfs/dbraw/zinc/25/26/34/569252634.db2.gz MZTAGOVEFGWYMI-AWEZNQCLSA-N -1 3 401.463 3.831 50 0 HHAAHM C[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccc(Br)cc1)N2 ZINC000251706218 569260506 /nfs/dbraw/zinc/26/05/06/569260506.db2.gz HXBUOUMGFKNLJN-LYSGOOTNSA-N -1 3 405.214 3.948 50 0 HHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCCC[C@H]3O)cc2)c(C)c1C ZINC000170633454 569274499 /nfs/dbraw/zinc/27/44/99/569274499.db2.gz WTUNSWJQWHFQFH-QUCCMNQESA-N -1 3 405.516 3.795 50 0 HHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCCC[C@H]3O)cc2)c(C)c1C 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401.216 3.925 50 0 HHAAHM C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000028724790 571037699 /nfs/dbraw/zinc/03/76/99/571037699.db2.gz MKSHBNBKSFQBPI-AWEZNQCLSA-N -1 3 400.442 3.855 50 0 HHAAHM CCCN1CCc2nc(SCC(=O)Nc3ccc(C(C)C)cc3)[n-]c(=O)c2C1 ZINC000067291737 571068241 /nfs/dbraw/zinc/06/82/41/571068241.db2.gz HSTTUIDKEXQJRT-UHFFFAOYSA-N -1 3 400.548 3.805 50 0 HHAAHM C[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)c1ccc(F)cc1 ZINC000040115384 571173110 /nfs/dbraw/zinc/17/31/10/571173110.db2.gz SDBNSXUUHXRBTM-GFCCVEGCSA-N -1 3 405.426 3.585 50 0 HHAAHM Cc1cc([O-])c(-c2n[nH]c3c2[C@H](c2ccc(Cl)cc2)N(CCO)C3=O)cc1Cl ZINC000009124633 571225866 /nfs/dbraw/zinc/22/58/66/571225866.db2.gz ASHSTLSWLKKMLU-IBGZPJMESA-N -1 3 418.280 3.935 50 0 HHAAHM CC1(C)COc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cc2NC1=O ZINC000009173477 571234333 /nfs/dbraw/zinc/23/43/33/571234333.db2.gz YRKWIZUZXYQKMA-UHFFFAOYSA-N -1 3 400.500 3.723 50 0 HHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)C(C)(C)CO3)cc1Cl ZINC000009173718 571234347 /nfs/dbraw/zinc/23/43/47/571234347.db2.gz SXSXCPDIEVZFHI-UHFFFAOYSA-N -1 3 410.879 3.507 50 0 HHAAHM Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000009715083 571281628 /nfs/dbraw/zinc/28/16/28/571281628.db2.gz GRLMCJZVGQOSGK-UHFFFAOYSA-N -1 3 423.469 3.942 50 0 HHAAHM CCC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@@H]1c1ccccc1Cl ZINC000010233923 571297758 /nfs/dbraw/zinc/29/77/58/571297758.db2.gz HUTDAEYQABZKEL-GOSISDBHSA-N -1 3 405.907 3.799 50 0 HHAAHM CCOC(=O)N=c1[n-]c2c(s1)CN(C(=O)c1ccc(OC(F)(F)F)cc1)CC2 ZINC000077196348 571312374 /nfs/dbraw/zinc/31/23/74/571312374.db2.gz HOXPRHHPGRNDFS-UHFFFAOYSA-N -1 3 415.393 3.809 50 0 HHAAHM COC(=O)C1=C(Nc2ccccc2OC)SC(=Cc2ccc(OC)cc2[O-])C1=O ZINC000036257234 571317441 /nfs/dbraw/zinc/31/74/41/571317441.db2.gz PWLDDTVJTQDYSS-LICLKQGHSA-N -1 3 413.451 3.563 50 0 HHAAHM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000000627126 132229179 /nfs/dbraw/zinc/22/91/79/132229179.db2.gz YZBKDVLJTLRZKR-XZOQPEGZSA-N -1 3 419.525 3.614 50 0 HHAAHM Cc1nc(N2CCN(c3ccccc3)CC2)[n-]c(=O)c1CCOc1ccccc1Cl ZINC000004626394 132280621 /nfs/dbraw/zinc/28/06/21/132280621.db2.gz FMHAUYIRSUQMKU-UHFFFAOYSA-N -1 3 424.932 3.680 50 0 HHAAHM CC1CCN(C(=O)c2csc(S(=O)(=O)[N-][C@@H]3CCCc4ccccc43)c2)CC1 ZINC000045961673 520991385 /nfs/dbraw/zinc/99/13/85/520991385.db2.gz INVBTLWHVBWBPK-LJQANCHMSA-N -1 3 418.584 3.976 50 0 HHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(-n4cccn4)ncn3)cc2)c(C)c1 ZINC000036705520 525608251 /nfs/dbraw/zinc/60/82/51/525608251.db2.gz IWJAAZKKXAZHPM-UHFFFAOYSA-N -1 3 420.498 3.824 50 0 HHAAHM COc1ccc2cc([C@@H](C)C(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)ccc2c1 ZINC000032809849 525635736 /nfs/dbraw/zinc/63/57/36/525635736.db2.gz SKDKJAGBCKSFDZ-QGZVFWFLSA-N -1 3 418.493 3.642 50 0 HHAAHM O=S(=O)([N-]C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1cccs1 ZINC000032865321 527209273 /nfs/dbraw/zinc/20/92/73/527209273.db2.gz WSYXJPNMZZWLIJ-UHFFFAOYSA-N -1 3 405.372 3.998 50 0 HHAAHM CCOc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCCCC2)cc1OC ZINC000022626053 557077697 /nfs/dbraw/zinc/07/76/97/557077697.db2.gz GZVYGFJHOZRRTF-KRWDZBQOSA-N -1 3 402.520 3.787 50 0 HHAAHM COc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OCc2ccccc2)cc(Cl)c1[O-] ZINC000000885754 557111037 /nfs/dbraw/zinc/11/10/37/557111037.db2.gz SISFEVBSXFQDLW-GOSISDBHSA-N -1 3 416.861 3.768 50 0 HHAAHM CO[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccccc1 ZINC000001135665 557201105 /nfs/dbraw/zinc/20/11/05/557201105.db2.gz JAKNCMIJNJQYJS-HXUWFJFHSA-N -1 3 414.458 3.953 50 0 HHAAHM Cc1ccccc1-c1noc(CSc2nc3[n-]ncc3c(=O)n2-c2ccccc2)n1 ZINC000033292192 557313646 /nfs/dbraw/zinc/31/36/46/557313646.db2.gz RNXTUIKASDTOID-UHFFFAOYSA-N -1 3 416.466 3.760 50 0 HHAAHM Cc1ccccc1-c1noc(CSc2nc3n[n-]cc3c(=O)n2-c2ccccc2)n1 ZINC000033292192 557313651 /nfs/dbraw/zinc/31/36/51/557313651.db2.gz RNXTUIKASDTOID-UHFFFAOYSA-N -1 3 416.466 3.760 50 0 HHAAHM CC(C)Cc1cc(C(=O)N2CCC[C@H](C(=O)c3cccc4ccccc43)C2)[n-]c(=O)n1 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O=C(Nc1ccccc1[O-])c1ccc2c(=O)n(-c3ccccc3F)c(=S)[nH]c2c1 ZINC000028814176 558705092 /nfs/dbraw/zinc/70/50/92/558705092.db2.gz GTTHLCPTJMHLGW-UHFFFAOYSA-N -1 3 407.426 3.771 50 0 HHAAHM COc1ccc(CC(=O)[N-]O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)cc1OC ZINC000072281166 558706654 /nfs/dbraw/zinc/70/66/54/558706654.db2.gz MNTJTYVOTGGTDC-AWEZNQCLSA-N -1 3 420.893 3.592 50 0 HHAAHM O=C(c1scc2c1CCCC2)N1CCC[C@H](C[N-]S(=O)(=O)c2cccs2)C1 ZINC000015065656 558708621 /nfs/dbraw/zinc/70/86/21/558708621.db2.gz NAIUWOKSESNXOY-CQSZACIVSA-N -1 3 424.613 3.519 50 0 HHAAHM Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(c3ccc(Br)cc3)=NOC2=C1[O-] ZINC000016009701 558766326 /nfs/dbraw/zinc/76/63/26/558766326.db2.gz RNEQOLANSDRLKT-GDBMZVCRSA-N -1 3 419.662 3.703 50 0 HHAAHM CCC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@H]1c1cccc(Cl)c1 ZINC000097105757 558994063 /nfs/dbraw/zinc/99/40/63/558994063.db2.gz FIEQMJLBCDGTJG-SFHVURJKSA-N -1 3 405.907 3.799 50 0 HHAAHM CCS(=O)(=O)[N-]c1ccc(-c2noc(Cc3ccccc3Br)n2)cc1 ZINC000033276334 559036063 /nfs/dbraw/zinc/03/60/63/559036063.db2.gz CAMVQBKUEMMPJB-UHFFFAOYSA-N -1 3 422.304 3.852 50 0 HHAAHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccs2)cc1 ZINC000101268072 559144359 /nfs/dbraw/zinc/14/43/59/559144359.db2.gz BBDZXTPMYXECLD-SLFFLAALSA-N -1 3 406.463 3.808 50 0 HHAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000024104758 559190273 /nfs/dbraw/zinc/19/02/73/559190273.db2.gz RPJXDXAHNPRGDR-QGZVFWFLSA-N -1 3 408.426 3.961 50 0 HHAAHM Cc1cccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)c1C ZINC000004874059 559194869 /nfs/dbraw/zinc/19/48/69/559194869.db2.gz WOVBZDBCEWHGHA-IBGZPJMESA-N -1 3 414.552 3.893 50 0 HHAAHM Cc1cc([O-])c(-c2n[nH]c3c2[C@@H](c2ccccc2F)N(CCCO)C3=O)cc1Cl ZINC000005342722 560567973 /nfs/dbraw/zinc/56/79/73/560567973.db2.gz HEWGEISEOGIEKL-HXUWFJFHSA-N -1 3 415.852 3.811 50 0 HHAAHM Cc1sc2c(c1C)C(=O)N[C@H](c1ccc([O-])c(I)c1)N2 ZINC000005533921 560606202 /nfs/dbraw/zinc/60/62/02/560606202.db2.gz SYHSZDVLOFFYBC-LBPRGKRZSA-N -1 3 400.241 3.529 50 0 HHAAHM COc1ccc(NCc2cc(=O)n3nc(NCc4ccc(C(C)C)cc4)[n-]c3n2)cc1 ZINC000101796909 560801756 /nfs/dbraw/zinc/80/17/56/560801756.db2.gz IJDBZROEORXDLK-UHFFFAOYSA-N -1 3 418.501 3.774 50 0 HHAAHM COc1ccc(N2OC3=C([O-])N(c4ccc(F)cc4)C(=O)[C@@H]3[C@@H]2c2ccccc2)cc1 ZINC000102691077 560819935 /nfs/dbraw/zinc/81/99/35/560819935.db2.gz DMTLHMBJHHIBLA-FSSWDIPSSA-N -1 3 418.424 3.885 50 0 HHAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccc(O)cc1 ZINC000102713350 560823164 /nfs/dbraw/zinc/82/31/64/560823164.db2.gz PLEAKFUEZZZNQO-PCCBWWKXSA-N -1 3 404.397 3.582 50 0 HHAAHM COc1ccc(-c2[n-]n(-c3ccccc3)c3c(O)n(-c4ccccc4F)c(=O)c2-3)cc1 ZINC000103530378 560842594 /nfs/dbraw/zinc/84/25/94/560842594.db2.gz DRKRIHLARXGZMC-IFMALSPDSA-N -1 3 415.424 3.617 50 0 HHAAHM O=C([O-])[C@@]1(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCCN(Cc2ccccc2)C1 ZINC000108377789 568418565 /nfs/dbraw/zinc/41/85/65/568418565.db2.gz HFYFGPHBUAUSQV-MBOZVWFJSA-N -1 3 412.452 3.591 50 0 HHAAHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc4ccccc4c(OC)n3)c2)n1 ZINC000048288203 568434800 /nfs/dbraw/zinc/43/48/00/568434800.db2.gz OEVUFCAJGBRRCO-UHFFFAOYSA-N -1 3 400.438 3.808 50 0 HHAAHM COc1ccccc1-c1nc(NC(=O)c2ccc(-n3ccnc3SC)cc2)n[n-]1 ZINC000048344111 568440811 /nfs/dbraw/zinc/44/08/11/568440811.db2.gz YBTRJJOIXUQKHI-UHFFFAOYSA-N -1 3 406.471 3.640 50 0 HHAAHM C[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1cccc(Br)c1)N2 ZINC000020034166 568586462 /nfs/dbraw/zinc/58/64/62/568586462.db2.gz NDZLOPNPLGWVKM-BCQZVRRWSA-N -1 3 405.214 3.948 50 0 HHAAHM COC(=O)c1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCCCC2)cc1 ZINC000095479873 568632806 /nfs/dbraw/zinc/63/28/06/568632806.db2.gz PFMMPHRIVFXTAM-QGZVFWFLSA-N -1 3 401.488 3.892 50 0 HHAAHM Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)n1 ZINC000095948866 568665685 /nfs/dbraw/zinc/66/56/85/568665685.db2.gz VEFUBKLINRUZGT-KKSFZXQISA-N -1 3 401.532 3.626 50 0 HHAAHM O=C([N-]c1nnc(SCc2cc(=O)c3ccccc3[nH]2)s1)c1cccs1 ZINC000021099169 568665876 /nfs/dbraw/zinc/66/58/76/568665876.db2.gz ZFBUCNRTDNDTTD-UHFFFAOYSA-N -1 3 400.510 3.986 50 0 HHAAHM CC(C)[C@H]1C[C@H](NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CCO1 ZINC000095983585 568675760 /nfs/dbraw/zinc/67/57/60/568675760.db2.gz XCNWETMYMUPDGQ-OXQOHEQNSA-N -1 3 420.506 3.560 50 0 HHAAHM CC[C@@](C[N-]S(=O)(=O)c1ccc(Br)s1)(OC)c1ccccc1 ZINC000096123784 568700238 /nfs/dbraw/zinc/70/02/38/568700238.db2.gz RPZXMUPVADROLP-HNNXBMFYSA-N -1 3 404.351 3.741 50 0 HHAAHM Cn1c(CCCCCNC(=O)c2c[n-]c3c(F)cccc3c2=O)nc2ccccc21 ZINC000096224255 568706630 /nfs/dbraw/zinc/70/66/30/568706630.db2.gz VMWCYIAWCZYWNU-UHFFFAOYSA-N -1 3 406.461 3.697 50 0 HHAAHM CC(C)c1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3cc(=O)[n-]n32)cc1 ZINC000021537378 568712535 /nfs/dbraw/zinc/71/25/35/568712535.db2.gz BCQIEBZNUDJTCD-UHFFFAOYSA-N -1 3 419.510 3.939 50 0 HHAAHM COc1ccc(S(=O)(=O)[N-]c2cc(-c3cn4nc(OC)ccc4n3)ccc2C)cc1 ZINC000012441326 568723997 /nfs/dbraw/zinc/72/39/97/568723997.db2.gz TVJBMJXJAJJPNX-UHFFFAOYSA-N -1 3 424.482 3.523 50 0 HHAAHM COc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccco2)c1 ZINC000002624929 568788862 /nfs/dbraw/zinc/78/88/62/568788862.db2.gz FBHKFDXRXVOZIW-UHFFFAOYSA-N -1 3 420.874 3.672 50 0 HHAAHM CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CCCC3)c2)cc1 ZINC000003022560 568840570 /nfs/dbraw/zinc/84/05/70/568840570.db2.gz VDWDBEDVHWVANG-UHFFFAOYSA-N -1 3 406.479 3.698 50 0 HHAAHM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCC3)ccc2C)cc1 ZINC000003256443 568868544 /nfs/dbraw/zinc/86/85/44/568868544.db2.gz SWFHTQPNRXVHEC-UHFFFAOYSA-N -1 3 402.516 3.821 50 0 HHAAHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccsc1 ZINC000084771139 568958704 /nfs/dbraw/zinc/95/87/04/568958704.db2.gz KQSVDCDEHBXBHJ-CQSZACIVSA-N -1 3 407.483 3.523 50 0 HHAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000012816419 568989977 /nfs/dbraw/zinc/98/99/77/568989977.db2.gz QTFYVTNDHUXRSD-AWEZNQCLSA-N -1 3 422.450 3.588 50 0 HHAAHM O=C(CO[N-]C(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(OC(F)(F)F)cc1 ZINC000006111355 569004784 /nfs/dbraw/zinc/00/47/84/569004784.db2.gz UNPOCDPZJYRDQP-UHFFFAOYSA-N -1 3 412.408 3.788 50 0 HHAAHM COc1ccc(-c2csc(NC=C3C(=O)[N-]C(=O)c4ccccc43)n2)cc1OC ZINC000102863327 569041901 /nfs/dbraw/zinc/04/19/01/569041901.db2.gz WMGQTJBRQRWWBE-XNTDXEJSSA-N -1 3 407.451 3.550 50 0 HHAAHM CCc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(C)cc2)cc1 ZINC000006356338 569045181 /nfs/dbraw/zinc/04/51/81/569045181.db2.gz CMQKVNGXBJDBNQ-UWVAXJGDSA-N -1 3 406.404 3.661 50 0 HHAAHM COc1cc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(C)c2)ccc1[O-] ZINC000064450203 569062796 /nfs/dbraw/zinc/06/27/96/569062796.db2.gz JQNJNTJKRRFZMZ-KRWDZBQOSA-N -1 3 405.454 3.820 50 0 HHAAHM CCc1cc2c(CSc3nncn3-c3ccccc3OC)cc(=O)oc2cc1[O-] ZINC000006534774 569064328 /nfs/dbraw/zinc/06/43/28/569064328.db2.gz UYAHAXYNUCMAJC-UHFFFAOYSA-N -1 3 409.467 3.943 50 0 HHAAHM COc1ccc(NC(=O)COc2cc([O-])c3c(c2)OC(C)(C)CC3=O)cc1Cl ZINC000006669586 569086216 /nfs/dbraw/zinc/08/62/16/569086216.db2.gz 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404.582 3.888 50 0 HHAAHM O=S(=O)([N-]C[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc(F)c(F)c1 ZINC000048309473 568436517 /nfs/dbraw/zinc/43/65/17/568436517.db2.gz BNHKWMJSDWIRTC-SFHVURJKSA-N -1 3 400.878 3.734 50 0 HHAAHM Cc1ccc(Cn2cc(-c3noc(C(=O)[N-]c4ccc(F)c(Cl)c4)n3)nn2)cc1 ZINC000049410312 568449940 /nfs/dbraw/zinc/44/99/40/568449940.db2.gz VXBFDKBNXYYJGO-UHFFFAOYSA-N -1 3 412.812 3.730 50 0 HHAAHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCCC1=CCCCC1 ZINC000008238922 568493738 /nfs/dbraw/zinc/49/37/38/568493738.db2.gz GCZALHSXIVTQML-LBPRGKRZSA-N -1 3 405.347 3.667 50 0 HHAAHM COC(=O)C[C@@H](c1ccco1)c1oc(CSc2ccccc2OC)cc(=O)c1[O-] ZINC000095476880 568630819 /nfs/dbraw/zinc/63/08/19/568630819.db2.gz AJZJWZUZSOZBLT-AWEZNQCLSA-N -1 3 416.451 3.934 50 0 HHAAHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(NS(=O)(=O)CC)c(F)c1 ZINC000095980035 568675406 /nfs/dbraw/zinc/67/54/06/568675406.db2.gz XMFVHXYLZDFYIJ-UHFFFAOYSA-N -1 3 414.524 3.513 50 0 HHAAHM CC1(C)C[C@@H](n2[nH]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc([O-])c(Cl)c2)CCO1 ZINC000096232806 568708341 /nfs/dbraw/zinc/70/83/41/568708341.db2.gz PFBBIGUWCWSLAT-MEDUHNTESA-N -1 3 423.922 3.853 50 0 HHAAHM CCOc1nc2ccc(C(=O)OCC[C@H]3CCCCN3C(=O)c3cccn3C)cc2[n-]1 ZINC000241884818 568731712 /nfs/dbraw/zinc/73/17/12/568731712.db2.gz SYBIOHZOUVQMSL-QGZVFWFLSA-N -1 3 424.501 3.542 50 0 HHAAHM CCOc1nc2cc(C(=O)OCC[C@H]3CCCCN3C(=O)c3cccn3C)ccc2[n-]1 ZINC000241884818 568731714 /nfs/dbraw/zinc/73/17/14/568731714.db2.gz SYBIOHZOUVQMSL-QGZVFWFLSA-N -1 3 424.501 3.542 50 0 HHAAHM COCCN1c2ccc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)cc2CCC1=O ZINC000096399792 568749095 /nfs/dbraw/zinc/74/90/95/568749095.db2.gz ZPVAQVCQSIAFKR-UHFFFAOYSA-N -1 3 416.543 3.612 50 0 HHAAHM Cc1nc(Nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2)cc(N(C)C)n1 ZINC000021795772 568753712 /nfs/dbraw/zinc/75/37/12/568753712.db2.gz DMXDXUDXCKEFLQ-UHFFFAOYSA-N -1 3 419.457 3.674 50 0 HHAAHM COc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000230003945 568801308 /nfs/dbraw/zinc/80/13/08/568801308.db2.gz ABBALDGNDSAVGV-BHDDXSALSA-N -1 3 400.434 3.746 50 0 HHAAHM Cc1ccc(-n2ncc3c2nc(SCC(=O)Nc2cccc(C)c2C)[n-]c3=O)cc1 ZINC000002717925 568802598 /nfs/dbraw/zinc/80/25/98/568802598.db2.gz UJXRRPXNXYVKAZ-UHFFFAOYSA-N -1 3 419.510 3.765 50 0 HHAAHM COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc([O-])cc2)cc1 ZINC000261493739 568820546 /nfs/dbraw/zinc/82/05/46/568820546.db2.gz IHSAMWQVDNZJOJ-UHFFFAOYSA-N -1 3 413.495 3.801 50 0 HHAAHM O=C(Nc1cc(N2CCCS2(=O)=O)ccc1[O-])c1cc2c(s1)CCCCC2 ZINC000056965152 568822237 /nfs/dbraw/zinc/82/22/37/568822237.db2.gz CAYRJHOGJLVVRI-UHFFFAOYSA-N -1 3 406.529 3.515 50 0 HHAAHM CCOc1cc2[n-]c(=S)n(CCCN3CCC(C)CC3)c(=O)c2cc1OCC ZINC000003010293 568837705 /nfs/dbraw/zinc/83/77/05/568837705.db2.gz JMZQEEJQRRVKMW-UHFFFAOYSA-N -1 3 405.564 3.978 50 0 HHAAHM O=C(C[N-]S(=O)(=O)c1ccccc1F)Nc1ccc(Oc2ccccc2)cc1 ZINC000003362303 568888367 /nfs/dbraw/zinc/88/83/67/568888367.db2.gz MAEHUYJTMRDYAU-UHFFFAOYSA-N -1 3 400.431 3.535 50 0 HHAAHM CSc1ncccc1C(=O)OCc1nc(=O)c2c3c(sc2[n-]1)C[C@H](C)CC3 ZINC000003371059 568890627 /nfs/dbraw/zinc/89/06/27/568890627.db2.gz BEKGIUZIBQTMBF-SNVBAGLBSA-N -1 3 401.513 3.583 50 0 HHAAHM O=C(Cc1cccc(F)c1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000015702682 568969358 /nfs/dbraw/zinc/96/93/58/568969358.db2.gz CUANPDCDXDOSFG-UHFFFAOYSA-N -1 3 402.422 3.947 50 0 HHAAHM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(C)cc2Br)c1C ZINC000085597917 569002682 /nfs/dbraw/zinc/00/26/82/569002682.db2.gz VCZJARSSGBTUNG-UHFFFAOYSA-N -1 3 415.309 3.680 50 0 HHAAHM CC(C)(C)c1ccc(CNC(=S)NCc2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000001491591 569004000 /nfs/dbraw/zinc/00/40/00/569004000.db2.gz DUHBVFMCIJLUJX-UHFFFAOYSA-N -1 3 423.579 3.659 50 0 in-vivo HHAAHM CCN1C(=O)C(C)(C)c2cc([N-]S(=O)(=O)CCOCc3ccccc3)cc(C)c21 ZINC000223452475 569007486 /nfs/dbraw/zinc/00/74/86/569007486.db2.gz QGFRWERBIAYLSR-UHFFFAOYSA-N -1 3 416.543 3.598 50 0 HHAAHM Cc1nc(C)c(CCC(=O)Nc2ncc(Cc3cccc(C)c3Cl)s2)c(=O)[n-]1 ZINC000012853640 569010755 /nfs/dbraw/zinc/01/07/55/569010755.db2.gz KYWAGAIARWQNAB-UHFFFAOYSA-N -1 3 416.934 3.967 50 0 HHAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2cc(-c3ccc(Cl)c(Cl)c3)n[nH]2)N1 ZINC000006395063 569046606 /nfs/dbraw/zinc/04/66/06/569046606.db2.gz QYVGPGYQEIVMHL-AWEZNQCLSA-N -1 3 407.179 3.856 50 0 HHAAHM CCc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(C)cc2)cc1 ZINC000006356339 569045171 /nfs/dbraw/zinc/04/51/71/569045171.db2.gz CMQKVNGXBJDBNQ-ZWOKBUDYSA-N -1 3 406.404 3.661 50 0 HHAAHM COc1cc2nc(=S)n3nc(CCn4c(C)nc5ccccc54)[n-]c3c2cc1OC ZINC000006493547 569061164 /nfs/dbraw/zinc/06/11/64/569061164.db2.gz BLHAPKGJQIXBKD-UHFFFAOYSA-N -1 3 420.498 3.858 50 0 HHAAHM COc1cc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2cccc(C)c2C)ccc1[O-] ZINC000064450214 569062777 /nfs/dbraw/zinc/06/27/77/569062777.db2.gz PFTIEWAENQBMTJ-MRXNPFEDSA-N -1 3 405.454 3.820 50 0 HHAAHM CCOc1ccc(OCc2cccc(C(=O)N3NC=C[C@@]3([O-])C(F)(F)F)c2)cc1 ZINC000006554329 569065466 /nfs/dbraw/zinc/06/54/66/569065466.db2.gz HZMFQOUHASIRBW-LJQANCHMSA-N -1 3 408.376 3.747 50 0 HHAAHM O=C(Nc1ccc(F)cc1Cl)c1cccc(S(=O)(=O)[N-]CC(F)(F)F)c1 ZINC000006650214 569080527 /nfs/dbraw/zinc/08/05/27/569080527.db2.gz LECPGFCZPYPSKD-UHFFFAOYSA-N -1 3 410.776 3.572 50 0 HHAAHM Cc1nc(-c2ccc(-c3noc(C[N-]S(=O)(=O)c4ccccc4)n3)cc2)cs1 ZINC000065032275 569157658 /nfs/dbraw/zinc/15/76/58/569157658.db2.gz OKESYKIMWQGVQD-UHFFFAOYSA-N -1 3 412.496 3.647 50 0 HHAAHM COc1ccccc1OCCSc1nc(-c2ccc(C)cc2)nc2cc(=O)[n-]n21 ZINC000006915724 569181010 /nfs/dbraw/zinc/18/10/10/569181010.db2.gz KWZFFQSQCULKAV-UHFFFAOYSA-N -1 3 408.483 3.573 50 0 HHAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CCC2)cc1 ZINC000006934842 569184981 /nfs/dbraw/zinc/18/49/81/569184981.db2.gz ACMXQIOEOFUMAC-OAHLLOKOSA-N -1 3 414.527 3.964 50 0 HHAAHM Cc1nn2c(C[N-]S(=O)(=O)c3cc(F)ccc3F)c(-c3ccccc3)nc2s1 ZINC000065217342 569197769 /nfs/dbraw/zinc/19/77/69/569197769.db2.gz ZOCMNOLWBKJMNO-UHFFFAOYSA-N -1 3 420.466 3.523 50 0 HHAAHM CCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2C1=O ZINC000065241562 569201744 /nfs/dbraw/zinc/20/17/44/569201744.db2.gz ZWFJPDDWSVOHSO-UHFFFAOYSA-N -1 3 413.430 3.794 50 0 HHAAHM CN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3F)cc2C1=O ZINC000065241539 569201814 /nfs/dbraw/zinc/20/18/14/569201814.db2.gz VQNQQMWOBCYOLS-UHFFFAOYSA-N -1 3 417.393 3.543 50 0 HHAAHM Cc1ccc(C(=O)c2ccccc2)c(NC(=O)c2[n-]cnc2C(=O)N2CCCCC2)c1 ZINC000170618951 569248164 /nfs/dbraw/zinc/24/81/64/569248164.db2.gz TUCLKYHPBXFUGU-UHFFFAOYSA-N -1 3 416.481 3.828 50 0 HHAAHM Cc1ccc(C(=O)c2ccccc2)c(NC(=O)c2nc[n-]c2C(=O)N2CCCCC2)c1 ZINC000170618951 569248165 /nfs/dbraw/zinc/24/81/65/569248165.db2.gz TUCLKYHPBXFUGU-UHFFFAOYSA-N -1 3 416.481 3.828 50 0 HHAAHM COc1ccccc1-n1ncc2c1nc(SCC(=O)Nc1ccc(C)cc1)[n-]c2=O ZINC000017042108 569272372 /nfs/dbraw/zinc/27/23/72/569272372.db2.gz ARWKXMGKZIWFEG-UHFFFAOYSA-N -1 3 421.482 3.569 50 0 HHAAHM Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc4c(c2)C(=O)[N-]C4=O)C3=O)cc1C ZINC000002195142 569294498 /nfs/dbraw/zinc/29/44/98/569294498.db2.gz QQFGIAZXVFAHJP-UHFFFAOYSA-N -1 3 412.401 3.780 50 0 HHAAHM COC(=O)[C@]([N-]c1ccc(F)cc1)(NC(=O)Nc1ccc(F)cc1)C(F)(F)F ZINC000002360841 569386430 /nfs/dbraw/zinc/38/64/30/569386430.db2.gz DXEISSVTHCVBRB-INIZCTEOSA-N -1 3 403.307 3.630 50 0 HHAAHM Cc1ccn(-c2ccc(Nc3ccc([N-]S(=O)(=O)c4ccccc4)cc3)nn2)n1 ZINC000013010003 569407153 /nfs/dbraw/zinc/40/71/53/569407153.db2.gz IBVNOMVOKQMPTD-UHFFFAOYSA-N -1 3 406.471 3.515 50 0 HHAAHM CCOc1ccc([C@@H]2CC(c3ccccc3[N-]S(C)(=O)=O)=NN2C(=O)CC)cc1 ZINC000009378559 571253379 /nfs/dbraw/zinc/25/33/79/571253379.db2.gz JDMJAIGDCQQDSO-FQEVSTJZSA-N -1 3 415.515 3.545 50 0 HHAAHM C[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]Cc2ccco2)c(Cl)cc1Cl)C1CC1 ZINC000009515180 571264704 /nfs/dbraw/zinc/26/47/04/571264704.db2.gz NVCYALFWJPVWSP-SNVBAGLBSA-N -1 3 417.314 3.593 50 0 HHAAHM O=C(CSc1nnc([N-]c2ccccc2F)s1)Nc1ccc2c(c1)OCCO2 ZINC000009632077 571274801 /nfs/dbraw/zinc/27/48/01/571274801.db2.gz KMHKJZXTLIIOMQ-UHFFFAOYSA-N -1 3 418.475 3.923 50 0 HHAAHM O=C(Nc1cccc(Cl)c1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000009673325 571278750 /nfs/dbraw/zinc/27/87/50/571278750.db2.gz SICJNKUYJMTHAH-QGZVFWFLSA-N -1 3 420.943 3.930 50 0 HHAAHM CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000009750994 571284191 /nfs/dbraw/zinc/28/41/91/571284191.db2.gz LPAIRCPOHTVBHQ-UHFFFAOYSA-N -1 3 413.326 3.706 50 0 HHAAHM COc1ccc(-n2nnc(-c3nsc([N-]C(=O)c4ccco4)n3)c2C)cc1Cl ZINC000009941153 571291025 /nfs/dbraw/zinc/29/10/25/571291025.db2.gz IYKRLXOVCINIHS-UHFFFAOYSA-N -1 3 416.850 3.602 50 0 HHAAHM Cc1c(-c2nsc([N-]C(=O)c3ccco3)n2)nnn1-c1ccc(C)c(Cl)c1 ZINC000009941160 571291052 /nfs/dbraw/zinc/29/10/52/571291052.db2.gz CTEGPAONXPXSNR-UHFFFAOYSA-N -1 3 400.851 3.901 50 0 HHAAHM Cc1cc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1N1CCN(C)CC1 ZINC000012734802 132366275 /nfs/dbraw/zinc/36/62/75/132366275.db2.gz FFUWDWRKHNYPLW-UHFFFAOYSA-N -1 3 413.465 3.566 50 0 HHAAHM CC(=O)Nc1cc(C)nn1-c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000032833574 519704060 /nfs/dbraw/zinc/70/40/60/519704060.db2.gz UBOMVUYQAOZGHK-UHFFFAOYSA-N -1 3 422.869 3.732 50 0 HHAAHM CCCN1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2cccc(Cl)c2)CC1 ZINC000032947142 519859941 /nfs/dbraw/zinc/85/99/41/519859941.db2.gz VNTLZLHKHUCESC-UHFFFAOYSA-N -1 3 401.894 3.823 50 0 HHAAHM Cc1cc(OCCCC(=O)Nc2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)ccc1Cl ZINC000032931473 525370080 /nfs/dbraw/zinc/37/00/80/525370080.db2.gz HIVTUNBXKCHQBM-OAQYLSRUSA-N -1 3 415.877 3.501 50 0 HHAAHM COc1ccc2cc([C@H](C)C(=O)N3CCN(C(=O)c4ccc([O-])cc4)CC3)ccc2c1 ZINC000032809850 525637866 /nfs/dbraw/zinc/63/78/66/525637866.db2.gz SKDKJAGBCKSFDZ-KRWDZBQOSA-N -1 3 418.493 3.642 50 0 HHAAHM O=C(c1ccc2n[n-]nc2c1)N1CCN(Cc2ccc(-c3ccccc3)s2)CC1 ZINC000031938226 526719399 /nfs/dbraw/zinc/71/93/99/526719399.db2.gz VVCBCKGZEPNPPU-UHFFFAOYSA-N -1 3 403.511 3.644 50 0 HHAAHM Cc1nn(-c2ccc(C)cc2C)nc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000032921867 527525087 /nfs/dbraw/zinc/52/50/87/527525087.db2.gz ZIJVYECIZMERMA-UHFFFAOYSA-N -1 3 401.264 3.913 50 0 HHAAHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)NC3CCCCC3)c2)cc1 ZINC000000645329 557034931 /nfs/dbraw/zinc/03/49/31/557034931.db2.gz VEZIDJIRNXBAGH-UHFFFAOYSA-N -1 3 418.515 3.567 50 0 HHAAHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCCCC3)cc2)c1 ZINC000000983659 557131591 /nfs/dbraw/zinc/13/15/91/557131591.db2.gz LLZZKOKMANLSRV-UHFFFAOYSA-N -1 3 416.543 3.886 50 0 HHAAHM CCOc1cc(/C=c2/sc3nc4c(cc(C)cc4C)n3c2=O)cc(Cl)c1[O-] ZINC000001212662 557244371 /nfs/dbraw/zinc/24/43/71/557244371.db2.gz QKASMLCIQKCWOU-CXUHLZMHSA-N -1 3 400.887 3.831 50 0 HHAAHM COC(=O)COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000001426208 557261765 /nfs/dbraw/zinc/26/17/65/557261765.db2.gz FGQSJGRRLOJSFE-UHFFFAOYSA-N -1 3 409.463 3.610 50 0 HHAAHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)cc1 ZINC000010393835 557287246 /nfs/dbraw/zinc/28/72/46/557287246.db2.gz HVBURPYCWHNWCZ-UHFFFAOYSA-N -1 3 414.458 3.920 50 0 HHAAHM CCOC(=O)[C@@]([N-]c1cccc(C(F)(F)F)c1)(NC(=O)c1ccco1)C(F)(F)F ZINC000003118490 557447996 /nfs/dbraw/zinc/44/79/96/557447996.db2.gz MHBMFSUKAWSIKM-OAHLLOKOSA-N -1 3 424.297 3.962 50 0 HHAAHM C[C@H]([N-]S(=O)(=O)[C@H]1CON(C)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000034738768 557449158 /nfs/dbraw/zinc/44/91/58/557449158.db2.gz HOZRGHLPDIKPNM-UYHISHBKSA-N -1 3 415.342 3.961 50 0 HHAAHM O=C(Nc1ccc(Cl)cc1)Nc1ccccc1SCc1cc(=O)[n-]c(=O)[nH]1 ZINC000006222443 557694820 /nfs/dbraw/zinc/69/48/20/557694820.db2.gz KHINSOBHNYHTSY-UHFFFAOYSA-N -1 3 402.863 3.653 50 0 HHAAHM Cc1cc2c(nc3s/c(=C\c4cc(Br)ccc4[O-])c(=O)n23)c(C)c1 ZINC000006459153 557703558 /nfs/dbraw/zinc/70/35/58/557703558.db2.gz LGFIHELODYYZRC-NVNXTCNLSA-N -1 3 401.285 3.542 50 0 HHAAHM Cc1nn([C@H](C)c2n[n-]c(=S)n2-c2cnn(Cc3ccccc3)c2)c(C)c1Cl ZINC000002808246 557767209 /nfs/dbraw/zinc/76/72/09/557767209.db2.gz QHJBXQHQDWYDJB-CQSZACIVSA-N -1 3 413.938 3.877 50 0 HHAAHM O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1ccccc1[O-] ZINC000009147072 557824998 /nfs/dbraw/zinc/82/49/98/557824998.db2.gz ALXJTLFFRHKVDX-UHFFFAOYSA-N -1 3 403.467 3.766 50 0 HHAAHM Cc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nc3c2nc[n-]c3=O)cc1 ZINC000020394332 558359371 /nfs/dbraw/zinc/35/93/71/558359371.db2.gz OUOOWOWPNASCTM-UHFFFAOYSA-N -1 3 419.510 3.765 50 0 HHAAHM C[C@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012803898 558472663 /nfs/dbraw/zinc/47/26/63/558472663.db2.gz GQEMZSNVBWSMCQ-MRXNPFEDSA-N -1 3 407.514 3.559 50 0 HHAAHM CCc1cccc(NC(=O)N2CCc3nc(Cc4ccc(OC)cc4)[n-]c(=O)c3C2)c1 ZINC000004382037 558484087 /nfs/dbraw/zinc/48/40/87/558484087.db2.gz FZCXJLXVLBGURP-UHFFFAOYSA-N -1 3 418.497 3.522 50 0 HHAAHM CC(=O)c1[n-]n(-c2ccccc2Cl)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000013778058 558592879 /nfs/dbraw/zinc/59/28/79/558592879.db2.gz PCZFBAGVSDZJCK-SJLPKXTDSA-N -1 3 416.264 3.625 50 0 HHAAHM CCCN(Cc1ccccc1)C(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CCC ZINC000024443404 558597622 /nfs/dbraw/zinc/59/76/22/558597622.db2.gz HCFBAQYKSZUIMY-UHFFFAOYSA-N -1 3 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50 0 HHAAHM Cc1cc(CNC(=O)c2ccc(Cl)c([N-]S(=O)(=O)c3ccc(F)cc3)c2)on1 ZINC000058050048 558896913 /nfs/dbraw/zinc/89/69/13/558896913.db2.gz PRELOFZZPGPLAE-UHFFFAOYSA-N -1 3 423.853 3.506 50 0 HHAAHM Cc1c2cc(CNC(=O)Cc3c(C)nc(C)[n-]c3=O)ccc2[nH]c1-c1ccccc1F ZINC000077408248 559004395 /nfs/dbraw/zinc/00/43/95/559004395.db2.gz NDOJVOQPARWIGL-UHFFFAOYSA-N -1 3 418.472 3.841 50 0 HHAAHM CC(C)(C)C(=O)N1CCC(c2nnc(C(=O)[N-]c3ccc(F)cc3F)s2)CC1 ZINC000033273000 559033644 /nfs/dbraw/zinc/03/36/44/559033644.db2.gz CMPLCKMGVDGMRT-UHFFFAOYSA-N -1 3 408.474 3.821 50 0 HHAAHM O=C([N-]c1ccccc1F)c1nnc(C2CCN(C(=O)c3ccccc3)CC2)s1 ZINC000033272973 559034499 /nfs/dbraw/zinc/03/44/99/559034499.db2.gz VDUGAZATRUGWPK-UHFFFAOYSA-N -1 3 410.474 3.949 50 0 HHAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000100722360 559138477 /nfs/dbraw/zinc/13/84/77/559138477.db2.gz AWYACEIVBOFBHB-YPAWHYETSA-N -1 3 418.424 3.885 50 0 HHAAHM [O-]c1ccccc1-c1nc2c3c(ncn2n1)Oc1cc(O)ccc1[C@@H]3c1cccnc1 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568802604 /nfs/dbraw/zinc/80/26/04/568802604.db2.gz OTGUDHKDYUBBCO-UHFFFAOYSA-N -1 3 417.922 3.716 50 0 HHAAHM CCN(C(=O)c1ccc(Cl)cc1)c1ccc([C@@]([O-])(C(=O)OC)C(F)(F)F)cc1 ZINC000003028255 568841767 /nfs/dbraw/zinc/84/17/67/568841767.db2.gz HPINVLBZZZIAHQ-GOSISDBHSA-N -1 3 415.795 3.930 50 0 HHAAHM Cc1ccc(Br)c([N-]S(=O)(=O)c2cccc(C(=O)NCC3CC3)c2)c1 ZINC000012560816 568858179 /nfs/dbraw/zinc/85/81/79/568858179.db2.gz ANGZBXUZIPORGQ-UHFFFAOYSA-N -1 3 423.332 3.698 50 0 HHAAHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1Cl)c1ccccc1 ZINC000003349190 568885166 /nfs/dbraw/zinc/88/51/66/568885166.db2.gz QALJQOJLSJSRKS-HNNXBMFYSA-N -1 3 417.756 3.684 50 0 HHAAHM O=C(CSc1nnc([N-]c2ccccc2F)s1)Nc1ccc2c(c1)OCO2 ZINC000003464495 568907187 /nfs/dbraw/zinc/90/71/87/568907187.db2.gz XSHICLSXWIGKLG-UHFFFAOYSA-N -1 3 404.448 3.880 50 0 HHAAHM Cc1ccc([C@H](C)NC(=O)CN2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1C ZINC000012727298 568920994 /nfs/dbraw/zinc/92/09/94/568920994.db2.gz GXVWYDAALOMBEZ-SFHVURJKSA-N -1 3 409.530 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-1 3 418.400 3.689 50 0 HHAAHM O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)[N-]C(=O)c1cccs1 ZINC000008901140 571144597 /nfs/dbraw/zinc/14/45/97/571144597.db2.gz NDBHCCJLCKWGJT-UHFFFAOYSA-N -1 3 424.507 3.697 50 0 HHAAHM O=S(=O)([N-]C[C@@H](c1ccsc1)N1CCCCCC1)c1cc(F)ccc1F ZINC000008901168 571144665 /nfs/dbraw/zinc/14/46/65/571144665.db2.gz KHEAFSAKJGAGNA-KRWDZBQOSA-N -1 3 400.516 3.922 50 0 HHAAHM C[C@@H](CCc1ccccc1)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000040115868 571173526 /nfs/dbraw/zinc/17/35/26/571173526.db2.gz INFNWFVFEQXLGO-HNNXBMFYSA-N -1 3 415.490 3.706 50 0 HHAAHM C[C@@H](Sc1n[n-]c(COc2ccc(Cl)cc2)n1)c1nnnn1-c1ccccc1 ZINC000040127396 571179241 /nfs/dbraw/zinc/17/92/41/571179241.db2.gz LXGTYZJCKNMVCW-GFCCVEGCSA-N -1 3 413.894 3.866 50 0 HHAAHM C[C@H]([N-]S(=O)(=O)[C@@H]1CON(C)[C@H]1c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000245329206 571225512 /nfs/dbraw/zinc/22/55/12/571225512.db2.gz RKUYIPOPOSUOBC-DQLDELGASA-N -1 3 402.560 3.951 50 0 HHAAHM CCN1c2ccc([N-]S(=O)(=O)Cc3ccccc3F)cc2OCC(C)(C)C1=O ZINC000009166608 571232909 /nfs/dbraw/zinc/23/29/09/571232909.db2.gz FAZQMQZIGINKSR-UHFFFAOYSA-N -1 3 406.479 3.539 50 0 HHAAHM CCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1 ZINC000009169869 571233469 /nfs/dbraw/zinc/23/34/69/571233469.db2.gz WTLRYDDKCTXZBK-UHFFFAOYSA-N -1 3 402.516 3.821 50 0 HHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1Cl ZINC000009170229 571233697 /nfs/dbraw/zinc/23/36/97/571233697.db2.gz BBBDMVWKOZYVAQ-UHFFFAOYSA-N -1 3 424.906 3.531 50 0 HHAAHM CCCN1c2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc2OCC(C)(C)C1=O ZINC000009171779 571234123 /nfs/dbraw/zinc/23/41/23/571234123.db2.gz NISGIKQLKNIRNK-UHFFFAOYSA-N -1 3 406.479 3.788 50 0 HHAAHM Cc1cc(C)c2c(=O)[n-]c(SCC(=O)c3ccc(Br)cc3)nc2n1 ZINC000009438753 571258933 /nfs/dbraw/zinc/25/89/33/571258933.db2.gz MMVVXXOEAIBQNS-UHFFFAOYSA-N -1 3 404.289 3.672 50 0 HHAAHM CCCn1c(=O)[nH]nc1S[C@H](C)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000009794913 571285645 /nfs/dbraw/zinc/28/56/45/571285645.db2.gz QLWWSCXDFHUJBX-SECBINFHSA-N -1 3 419.557 3.861 50 0 HHAAHM Cc1c(-c2nsc([N-]C(=O)c3ccco3)n2)nnn1-c1ccc(F)c(Cl)c1 ZINC000009941213 571291062 /nfs/dbraw/zinc/29/10/62/571291062.db2.gz PYQVDWODIKMQQY-UHFFFAOYSA-N -1 3 404.814 3.732 50 0 HHAAHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)NCCc2ccccc2)cc1 ZINC000010077837 571294809 /nfs/dbraw/zinc/29/48/09/571294809.db2.gz AUULPEBNODOZJU-UHFFFAOYSA-N -1 3 424.522 3.534 50 0 HHAAHM COc1ccc(C[C@](C)(O)C[N-]S(=O)(=O)c2cc(C)c(Cl)cc2Cl)cc1 ZINC000077184852 571312057 /nfs/dbraw/zinc/31/20/57/571312057.db2.gz IJGAZMACBSYMRI-SFHVURJKSA-N -1 3 418.342 3.582 50 0 HHAAHM CCOC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc(OC)c(O)c3)nc(=O)c2c1C ZINC000015623963 962820331 /nfs/dbraw/zinc/82/03/31/962820331.db2.gz SKWZCYAOWQPWKX-XFFZJAGNSA-N -1 3 420.874 3.921 50 0 HHAAHM CCOc1cc(C(=O)CCC(=O)N2CCN(C/C=C\c3ccccc3)CC2)ccc1[O-] ZINC000096536672 969046433 /nfs/dbraw/zinc/04/64/33/969046433.db2.gz NPEVBFILXUPCLU-TWGQIWQCSA-N -1 3 422.525 3.611 50 0 HHAAHM O=c1nc(CN2CCN(c3ccccc3O)CC2)[n-]c2scc(-c3ccccc3)c21 ZINC000007433753 132324486 /nfs/dbraw/zinc/32/44/86/132324486.db2.gz SFKBLBLQRVNESF-UHFFFAOYSA-N -1 3 418.522 3.679 50 0 HHAAHM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000012508569 132361164 /nfs/dbraw/zinc/36/11/64/132361164.db2.gz WXWSZVHMPFKAFW-UHFFFAOYSA-N -1 3 414.358 3.936 50 0 HHAAHM CC(=O)N(Cc1ccco1)c1nc(C)c(C(=O)[N-]c2nnc(C(C)(C)C)s2)s1 ZINC000044890839 519469925 /nfs/dbraw/zinc/46/99/25/519469925.db2.gz LHRZCHBRWPGCLN-UHFFFAOYSA-N -1 3 419.532 3.999 50 0 HHAAHM CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3ccco3)[n-]1)CCC2 ZINC000032873559 521414571 /nfs/dbraw/zinc/41/45/71/521414571.db2.gz ZQIOFGYIIQYCST-UHFFFAOYSA-N -1 3 418.500 3.522 50 0 HHAAHM CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(-c3ccco3)n[n-]1)CCC2 ZINC000032873559 521414580 /nfs/dbraw/zinc/41/45/80/521414580.db2.gz ZQIOFGYIIQYCST-UHFFFAOYSA-N -1 3 418.500 3.522 50 0 HHAAHM CCOC(=O)c1c2c(sc1NC(=O)CSc1n[n-]c(-c3ccco3)n1)CCC2 ZINC000032873559 521414589 /nfs/dbraw/zinc/41/45/89/521414589.db2.gz ZQIOFGYIIQYCST-UHFFFAOYSA-N -1 3 418.500 3.522 50 0 HHAAHM Cc1ccc(-c2nc(COC(=O)c3sccc3S(=O)(=O)[N-]C3CC3)co2)cc1 ZINC000032909620 525814497 /nfs/dbraw/zinc/81/44/97/525814497.db2.gz YZVQWZOCFGHCOD-UHFFFAOYSA-N -1 3 418.496 3.509 50 0 HHAAHM O=C(c1csc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2)c1)N1CCCCCC1 ZINC000045961723 526906124 /nfs/dbraw/zinc/90/61/24/526906124.db2.gz SBMJNIMLXJGCQW-UHFFFAOYSA-N -1 3 412.964 3.896 50 0 HHAAHM COc1ccc(OCc2ccc(C(=O)N3NC(C)=C[C@@]3([O-])C(F)(F)F)cc2)cc1 ZINC000000652843 557039592 /nfs/dbraw/zinc/03/95/92/557039592.db2.gz GBXUTHDPRUJKFH-LJQANCHMSA-N -1 3 408.376 3.747 50 0 HHAAHM CCOc1ccc(OCc2ccc(C(=O)N3NC(C)=C[C@]3([O-])C(F)(F)F)o2)cc1 ZINC000000652866 557039634 /nfs/dbraw/zinc/03/96/34/557039634.db2.gz NJIUYDISHQVBPA-SFHVURJKSA-N -1 3 412.364 3.730 50 0 HHAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000000826181 557093798 /nfs/dbraw/zinc/09/37/98/557093798.db2.gz JYQDLZSDSVJKIN-UHFFFAOYSA-N -1 3 422.462 3.687 50 0 HHAAHM COC(=O)c1c([N-]C(=O)NN2CCCCC2)onc1-c1c(Cl)cccc1Cl ZINC000001042793 557154331 /nfs/dbraw/zinc/15/43/31/557154331.db2.gz ZEZLHIOPXBNTKW-UHFFFAOYSA-N -1 3 413.261 3.957 50 0 HHAAHM CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(I)c2)cc1 ZINC000001111042 557183497 /nfs/dbraw/zinc/18/34/97/557183497.db2.gz OAJLDUNNACHTSL-UHFFFAOYSA-N -1 3 417.268 3.663 50 0 HHAAHM COC(=O)[C@]([O-])(c1ccc(N(C)C(=O)Nc2cccc(Cl)c2)cc1)C(F)(F)F ZINC000002027019 557299426 /nfs/dbraw/zinc/29/94/26/557299426.db2.gz FGJOTGPVOUWFCR-QGZVFWFLSA-N -1 3 416.783 3.931 50 0 HHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)CC(C)C)cc2)cc1C ZINC000002136425 557317590 /nfs/dbraw/zinc/31/75/90/557317590.db2.gz DBLPUJBMLGYHDI-UHFFFAOYSA-N -1 3 419.572 3.963 50 0 HHAAHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)NCCC1=CCCCC1 ZINC000002887409 557422654 /nfs/dbraw/zinc/42/26/54/557422654.db2.gz DQLDBQNIOSYZOD-UHFFFAOYSA-N -1 3 414.527 3.873 50 0 HHAAHM CN(Cc1ccccc1)C(=O)C(=C([O-])c1ccc(F)cc1)n1cc(Cl)ccc1=O ZINC000004680097 557580629 /nfs/dbraw/zinc/58/06/29/557580629.db2.gz NTEDXMITGVZKML-FQEVSTJZSA-N -1 3 412.848 3.723 50 0 HHAAHM Cc1ccc(NC(=O)CSc2nc3c(cnn3-c3ccc(C)cc3)c(=O)[n-]2)cc1 ZINC000002717918 557750802 /nfs/dbraw/zinc/75/08/02/557750802.db2.gz FNWKHHNNJPQGQK-UHFFFAOYSA-N -1 3 405.483 3.869 50 0 HHAAHM Cc1nn([C@@H](C)c2n[n-]c(=S)n2-c2cnn(Cc3ccccc3)c2)c(C)c1Cl ZINC000002808245 557767293 /nfs/dbraw/zinc/76/72/93/557767293.db2.gz QHJBXQHQDWYDJB-AWEZNQCLSA-N -1 3 413.938 3.877 50 0 HHAAHM COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc(Br)c1[O-] ZINC000009296043 557835081 /nfs/dbraw/zinc/83/50/81/557835081.db2.gz IKKYBRGQZFKKNT-ZROIWOOFSA-N -1 3 419.300 3.768 50 0 HHAAHM CC(C)Cc1cc(C(=O)N2CCC[C@@H](C(=O)c3cccc4ccccc43)C2)[n-]c(=O)n1 ZINC000012075172 558319419 /nfs/dbraw/zinc/31/94/19/558319419.db2.gz LSQDIKRSLKYWCH-GOSISDBHSA-N -1 3 417.509 3.857 50 0 HHAAHM CSc1cccc(NC(=O)CSc2nc3c(nc[n-]c3=O)n2-c2ccccc2)c1 ZINC000012371911 558389853 /nfs/dbraw/zinc/38/98/53/558389853.db2.gz ODAKZGUDEWEQQX-UHFFFAOYSA-N -1 3 423.523 3.562 50 0 biogenic,in-vitro HHAAHM COc1cccc2c([C@@H](C(=O)[O-])N3CCN(Cc4cccc(Cl)c4)CC3)c[nH]c21 ZINC000020732948 558406998 /nfs/dbraw/zinc/40/69/98/558406998.db2.gz JFKDYLFCWQUJCA-NRFANRHFSA-N -1 3 413.905 3.773 50 0 HHAAHM COC(=O)c1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000012881371 558483031 /nfs/dbraw/zinc/48/30/31/558483031.db2.gz GYSSMVODNNZQJE-UHFFFAOYSA-N -1 3 422.659 3.829 50 0 HHAAHM CCc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1 ZINC000023624184 558563798 /nfs/dbraw/zinc/56/37/98/558563798.db2.gz OBCKJMUPVMYCAH-INIZCTEOSA-N -1 3 422.934 3.612 50 0 HHAAHM COc1ccc(-n2nc(C(=O)c3ccco3)cc(-c3nc4ccccc4[n-]3)c2=N)cc1 ZINC000004473111 558599225 /nfs/dbraw/zinc/59/92/25/558599225.db2.gz QLPQRECWACWETM-UHFFFAOYSA-N -1 3 411.421 3.728 50 0 HHAAHM CON(C)C(=O)c1sc2[n-]c(CSc3cc(C)ccc3C)nc(=O)c2c1C ZINC000025594233 558645128 /nfs/dbraw/zinc/64/51/28/558645128.db2.gz FWSQHMCCLJFVNG-UHFFFAOYSA-N -1 3 403.529 3.836 50 0 HHAAHM COc1ccccc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000015353125 558735293 /nfs/dbraw/zinc/73/52/93/558735293.db2.gz RKONNKBHTBWWJR-UHFFFAOYSA-N -1 3 400.431 3.887 50 0 HHAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC(C)C)CC3)cc2)c(C)c1 ZINC000033115358 558761593 /nfs/dbraw/zinc/76/15/93/558761593.db2.gz PKLVTXOKFZRJEG-UHFFFAOYSA-N -1 3 400.544 3.969 50 0 HHAAHM Cc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(Br)cc3)n2)cc1 ZINC000013495188 558808834 /nfs/dbraw/zinc/80/88/34/558808834.db2.gz QHNLEKYPWUXVCV-GFCCVEGCSA-N -1 3 422.304 3.847 50 0 HHAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)N3CCC[C@@H](C)C3)cc2)cc1 ZINC000017091965 558820542 /nfs/dbraw/zinc/82/05/42/558820542.db2.gz JNMBSNULZSJHEF-OAHLLOKOSA-N -1 3 419.572 3.925 50 0 HHAAHM O=C([O-])[C@@H]1CCCN([C@H]2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)C1 ZINC000100058135 558884601 /nfs/dbraw/zinc/88/46/01/558884601.db2.gz VWTJKXUNEWVTKH-MSOLQXFVSA-N -1 3 420.509 3.806 50 0 HHAAHM O=C(NC12CC3CC(CC(C3)C1)C2)N1CCc2nc(-c3ccc(F)cc3)[n-]c(=O)c2C1 ZINC000004720504 558923899 /nfs/dbraw/zinc/92/38/99/558923899.db2.gz FRZJMXGGJHYNGI-UHFFFAOYSA-N -1 3 422.504 3.613 50 0 HHAAHM COc1cc(/C=C2\NC(=S)N(c3ccccc3C)C2=O)cc(Br)c1[O-] ZINC000019675256 558956707 /nfs/dbraw/zinc/95/67/07/558956707.db2.gz WHICOFFFMITVOG-JYRVWZFOSA-N -1 3 419.300 3.734 50 0 HHAAHM CCN(Cc1ccncc1)C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O ZINC000077386680 559003218 /nfs/dbraw/zinc/00/32/18/559003218.db2.gz QJCYDVUMABTCOF-UHFFFAOYSA-N -1 3 417.296 3.725 50 0 HHAAHM CCOc1ccc(-n2c(O)c3n(-c4ccccc4)[n-]c(-c4ccccc4)c-3c2=O)cc1 ZINC000100563579 559136559 /nfs/dbraw/zinc/13/65/59/559136559.db2.gz WCMHVJXKHSMQGI-GGAORHGYSA-N -1 3 411.461 3.868 50 0 HHAAHM CCOc1ccccc1NC(=O)C1CCC(C[N-]S(=O)(=O)c2cccs2)CC1 ZINC000004908972 559201259 /nfs/dbraw/zinc/20/12/59/559201259.db2.gz ZHANDOBWMAIYOZ-UHFFFAOYSA-N -1 3 422.572 3.870 50 0 HHAAHM COc1ccccc1[C@H]1SCC(=O)Nc2c1c(=O)[n-]n2[C@H]1CCOC(C)(C)C1 ZINC000005625271 560633705 /nfs/dbraw/zinc/63/37/05/560633705.db2.gz UEPNIWSBMBAOKJ-YVEFUNNKSA-N -1 3 403.504 3.502 50 0 HHAAHM O=C(NC1CCCCCC1)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccnc2)c1 ZINC000008709634 560637673 /nfs/dbraw/zinc/63/76/73/560637673.db2.gz CUNPXJUIZAUSQS-UHFFFAOYSA-N -1 3 421.950 3.666 50 0 HHAAHM CC(=O)c1[n-]n(-c2ccccc2Cl)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000100893652 560762138 /nfs/dbraw/zinc/76/21/38/560762138.db2.gz PCZFBAGVSDZJCK-AEFFLSMTSA-N -1 3 416.264 3.625 50 0 HHAAHM COc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)cc1 ZINC000005690331 560785040 /nfs/dbraw/zinc/78/50/40/560785040.db2.gz UESGTTXTMGLRPT-CXAGYDPISA-N -1 3 403.504 3.502 50 0 HHAAHM COc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)cc1 ZINC000005699214 560789677 /nfs/dbraw/zinc/78/96/77/560789677.db2.gz UESGTTXTMGLRPT-GUYCJALGSA-N -1 3 403.504 3.502 50 0 HHAAHM Cc1cccc(NCc2cc(=O)n3nc(NCc4ccc(Cl)cc4)[n-]c3n2)c1C ZINC000101795945 560801483 /nfs/dbraw/zinc/80/14/83/560801483.db2.gz QZQMHSRWUGCCHC-UHFFFAOYSA-N -1 3 408.893 3.912 50 0 HHAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccc(O)cc1 ZINC000102713348 560823184 /nfs/dbraw/zinc/82/31/84/560823184.db2.gz PLEAKFUEZZZNQO-PWRODBHTSA-N -1 3 404.397 3.582 50 0 HHAAHM COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1cc(C)ccc1F)N1CCCCC1 ZINC000048287666 568434647 /nfs/dbraw/zinc/43/46/47/568434647.db2.gz CYKSJTGDVLTKNO-LJQANCHMSA-N -1 3 406.523 3.648 50 0 HHAAHM O=S(=O)([N-]C[C@@H](c1ccccc1Cl)N1CCCC1)c1cc(F)cc(F)c1 ZINC000048279266 568435840 /nfs/dbraw/zinc/43/58/40/568435840.db2.gz NKFIRMGBYAKXKG-SFHVURJKSA-N -1 3 400.878 3.734 50 0 HHAAHM CCOC(=O)N1CCC2(CC1)N=C(c1ccccc1[O-])C[C@@H](c1ccc(OC)cc1)N2 ZINC000048990344 568444258 /nfs/dbraw/zinc/44/42/58/568444258.db2.gz KPPCQYAGAYJXOR-FQEVSTJZSA-N -1 3 423.513 3.873 50 0 biogenic HHAAHM Cc1oc(-c2ccco2)nc1CC(=O)Nc1ccc([O-])cc1I ZINC000225434685 568637765 /nfs/dbraw/zinc/63/77/65/568637765.db2.gz ZSAJWQUZNGAOGK-UHFFFAOYSA-N -1 3 424.194 3.734 50 0 HHAAHM CCN1CCN(c2ncnc3sc(C(=O)[N-]c4c(F)cccc4F)c(C)c32)CC1 ZINC000020762658 568642775 /nfs/dbraw/zinc/64/27/75/568642775.db2.gz NSNNEMZMAMDVIK-UHFFFAOYSA-N -1 3 417.485 3.672 50 0 HHAAHM O=c1[nH]n(C2CCSCC2)c2c1[C@@H](c1ccc([O-])c(Cl)c1)SCC(=O)N2 ZINC000096118341 568697899 /nfs/dbraw/zinc/69/78/99/568697899.db2.gz SACFVTGXPXXZPD-OAHLLOKOSA-N -1 3 411.936 3.791 50 0 HHAAHM CC1(C)C[C@H](n2[nH]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc([O-])c(Cl)c2)CCO1 ZINC000096232805 568708514 /nfs/dbraw/zinc/70/85/14/568708514.db2.gz PFBBIGUWCWSLAT-BDJLRTHQSA-N -1 3 423.922 3.853 50 0 HHAAHM COc1ccc(Cl)c2c(=O)c3c([n-]c12)CCN(CC(=O)Nc1ccccc1C)C3 ZINC000096326902 568734851 /nfs/dbraw/zinc/73/48/51/568734851.db2.gz ZVZVQOFXVSNCKA-UHFFFAOYSA-N -1 3 411.889 3.908 50 0 HHAAHM Cc1ccc(-n2ncc3c2nc(SCC(=O)Nc2ccccc2)[n-]c3=O)cc1C ZINC000002718059 568802665 /nfs/dbraw/zinc/80/26/65/568802665.db2.gz IXEGDJJQELLWCQ-UHFFFAOYSA-N -1 3 405.483 3.869 50 0 HHAAHM O=S(=O)([N-]C[C@H]1CCN(c2ccc(F)cc2)C1)c1c(Cl)cccc1Cl ZINC000057101796 568824120 /nfs/dbraw/zinc/82/41/20/568824120.db2.gz JFSWTBVEYYMHTO-GFCCVEGCSA-N -1 3 403.306 3.937 50 0 HHAAHM O=S(=O)([N-][C@@H](c1cccs1)c1ccc(F)cc1)c1cccc2nsnc21 ZINC000019105886 568835234 /nfs/dbraw/zinc/83/52/34/568835234.db2.gz CWKOVSLVTHZIJR-MRXNPFEDSA-N -1 3 405.501 3.960 50 0 HHAAHM Cc1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)c(Cl)c1 ZINC000029896193 568847170 /nfs/dbraw/zinc/84/71/70/568847170.db2.gz WZALSAJEZDPQTR-NSHDSACASA-N -1 3 420.840 3.973 50 0 HHAAHM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3cccc(CN4CCCC4)c3)s2)n[nH]1 ZINC000015734986 568984050 /nfs/dbraw/zinc/98/40/50/568984050.db2.gz JYCOMOIHPBNBEI-UHFFFAOYSA-N -1 3 402.545 3.843 50 0 HHAAHM CCc1cccc(-n2nc(C)c3c2NC(=O)C[C@@H]3C(=O)c2ccc([O-])c(OC)c2)c1 ZINC000035170909 569002217 /nfs/dbraw/zinc/00/22/17/569002217.db2.gz JAEXEIPDDNYRGK-KRWDZBQOSA-N -1 3 405.454 3.766 50 0 HHAAHM CCN(C(=O)CSc1nc2c(nc[n-]c2=O)n1-c1ccccc1)c1cccc(C)c1 ZINC000085703890 569007306 /nfs/dbraw/zinc/00/73/06/569007306.db2.gz KQFBGACMAZELNK-UHFFFAOYSA-N -1 3 419.510 3.562 50 0 HHAAHM O=C(CN1CCC(C(=O)Nc2ccccc2[O-])CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000012885396 569019498 /nfs/dbraw/zinc/01/94/98/569019498.db2.gz JNLZWQPDHHFWRQ-UHFFFAOYSA-N -1 3 422.312 3.988 50 0 HHAAHM Cc1cc(C)n([C@H](C[N-]S(=O)(=O)Cc2ccccc2Cl)c2ccsc2)n1 ZINC000575613994 569032723 /nfs/dbraw/zinc/03/27/23/569032723.db2.gz NPPITHCLRGCFEV-GOSISDBHSA-N -1 3 409.964 3.924 50 0 HHAAHM CN(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000006226816 569033562 /nfs/dbraw/zinc/03/35/62/569033562.db2.gz XVFXGJKFMJZDQS-UHFFFAOYSA-N -1 3 410.495 3.525 50 0 HHAAHM O=[N+]([O-])c1ccc([N-]c2nc(N=NCc3ccccc3)nc(N3CCCC3)n2)cc1 ZINC000252625313 569060941 /nfs/dbraw/zinc/06/09/41/569060941.db2.gz QHJMHGZVFOGYTA-UHFFFAOYSA-N -1 3 404.434 3.570 50 0 HHAAHM Cc1cc(OCc2ccc(C(=O)N3NC=C[C@@]3([O-])C(F)(F)F)o2)ccc1Cl ZINC000006527804 569063220 /nfs/dbraw/zinc/06/32/20/569063220.db2.gz SEOWDNKQWJCNNS-MRXNPFEDSA-N -1 3 402.756 3.903 50 0 HHAAHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCC3)cc2)c1 ZINC000006553276 569065494 /nfs/dbraw/zinc/06/54/94/569065494.db2.gz NEONUXLPVUNXNV-UHFFFAOYSA-N -1 3 402.516 3.542 50 0 HHAAHM CC[C@H](C)NC(=O)N1CCC[C@@H]1c1nnc(C(=O)[N-]c2ccc(F)c(F)c2)s1 ZINC000064930883 569124396 /nfs/dbraw/zinc/12/43/96/569124396.db2.gz OAGAUUHOZFTAKQ-IINYFYTJSA-N -1 3 409.462 3.714 50 0 HHAAHM COc1ccc(-c2cc(C(F)(F)F)nc(N3NC=C[C@@]3([O-])C(F)(F)F)n2)cc1 ZINC000006846364 569153674 /nfs/dbraw/zinc/15/36/74/569153674.db2.gz GUUIPTVACNQHIN-CQSZACIVSA-N -1 3 406.286 3.618 50 0 HHAAHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(-c3onc(C)c3C)s2)cc1OC ZINC000065031232 569157322 /nfs/dbraw/zinc/15/73/22/569157322.db2.gz CXMSQSZIPTVQAO-UHFFFAOYSA-N -1 3 422.528 3.558 50 0 HHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)c2ncccc2O3)c(F)c1 ZINC000065241543 569201840 /nfs/dbraw/zinc/20/18/40/569201840.db2.gz HSOKGLXHFSRGFO-UHFFFAOYSA-N -1 3 413.430 3.712 50 0 HHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)c2ncccc2O3)cc1C ZINC000065241520 569204130 /nfs/dbraw/zinc/20/41/30/569204130.db2.gz LRUKSLYXJWWDCL-UHFFFAOYSA-N -1 3 409.467 3.882 50 0 HHAAHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cccc(N4CCCC4=O)c3)nc(=O)c2c1C ZINC000007212578 569229039 /nfs/dbraw/zinc/22/90/39/569229039.db2.gz VFMRZYAIHKRLBP-GFCCVEGCSA-N -1 3 411.483 3.646 50 0 HHAAHM CC(C)(C)OC(=O)N1CCC2(CC(C(=O)Nc3cc(Cl)ccc3[O-])=NO2)CC1 ZINC000170595823 569241699 /nfs/dbraw/zinc/24/16/99/569241699.db2.gz AJJAPTVKQLVDIX-UHFFFAOYSA-N -1 3 409.870 3.530 50 0 HHAAHM CCC[C@@H]([N-]S(=O)(=O)c1c2ncsc2ccc1Cl)c1nnc2ccccn21 ZINC000170597029 569241886 /nfs/dbraw/zinc/24/18/86/569241886.db2.gz GZUJBBNYUKVKAA-GFCCVEGCSA-N -1 3 421.935 3.812 50 0 HHAAHM Cc1cc([N-]C(=O)c2cc(S(=O)(=O)N3CCCc4cc(C)ccc43)cs2)no1 ZINC000006681834 569280005 /nfs/dbraw/zinc/28/00/05/569280005.db2.gz YHRJBQZSDRLCSJ-UHFFFAOYSA-N -1 3 417.512 3.747 50 0 HHAAHM CCOC(=O)N[C@]([N-]c1ccc(Cl)c(Cl)c1)(C(=O)OCC)C(F)(F)F ZINC000002317315 569373182 /nfs/dbraw/zinc/37/31/82/569373182.db2.gz RBAOYRTZYMLJKZ-CYBMUJFWSA-N -1 3 403.184 3.973 50 0 HHAAHM CCOC(=O)[C@@]([O-])(c1ccc(OC)c(NC(=O)Nc2ccccc2)c1)C(F)(F)F ZINC000002317139 569373196 /nfs/dbraw/zinc/37/31/96/569373196.db2.gz QAWBDEAYEOBMAL-SFHVURJKSA-N -1 3 412.364 3.652 50 0 HHAAHM COC(=O)c1ccc(CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[n-]2)o1 ZINC000008584614 571083051 /nfs/dbraw/zinc/08/30/51/571083051.db2.gz RLGBGWWYRVMBGB-UHFFFAOYSA-N -1 3 416.846 3.846 50 0 HHAAHM CCOC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1ccccc1OC ZINC000008604951 571091578 /nfs/dbraw/zinc/09/15/78/571091578.db2.gz NNOGFBOKRXIOJS-UHFFFAOYSA-N -1 3 405.497 3.565 50 0 HHAAHM O=C(Nc1ccc(F)c(Cl)c1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000040115349 571172968 /nfs/dbraw/zinc/17/29/68/571172968.db2.gz DJOKBWIZJJRZQJ-UHFFFAOYSA-N -1 3 411.817 3.999 50 0 HHAAHM CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000040155774 571202890 /nfs/dbraw/zinc/20/28/90/571202890.db2.gz JXUHJUCUTYUTPN-UONOGXRCSA-N -1 3 422.469 3.820 50 0 HHAAHM COc1ccc([C@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)N2CCCCC2)cc1 ZINC000009314420 571247238 /nfs/dbraw/zinc/24/72/38/571247238.db2.gz RADJJKXNUWCXHH-INIZCTEOSA-N -1 3 414.980 3.916 50 0 HHAAHM O=c1nc(CSc2nnnn2C2CC2)[n-]c2scc(-c3ccccc3Cl)c21 ZINC000009414964 571256209 /nfs/dbraw/zinc/25/62/09/571256209.db2.gz SYYYUDGHZDXDHH-UHFFFAOYSA-N -1 3 416.919 3.919 50 0 HHAAHM Cc1c(-c2nsc([N-]C(=O)c3ccco3)n2)nnn1-c1cccc(Cl)c1C ZINC000009941113 571291021 /nfs/dbraw/zinc/29/10/21/571291021.db2.gz FQTQUIRILZMWLF-UHFFFAOYSA-N -1 3 400.851 3.901 50 0 HHAAHM C[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000010490653 571303757 /nfs/dbraw/zinc/30/37/57/571303757.db2.gz KJNGQIBBZNTDHG-VIFPVBQESA-N -1 3 424.803 3.803 50 0 HHAAHM COc1ccc(-c2csc(NC=C3C(=O)[N-]C(=O)c4ccccc43)n2)cc1OC ZINC000016721719 963091940 /nfs/dbraw/zinc/09/19/40/963091940.db2.gz WMGQTJBRQRWWBE-GDNBJRDFSA-N -1 3 407.451 3.550 50 0 HHAAHM COC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc(OC)c(O)c3)nc(=O)c2c1C ZINC000096792528 969051744 /nfs/dbraw/zinc/05/17/44/969051744.db2.gz DVTHKOOLHOVFJH-UXBLZVDNSA-N -1 3 406.847 3.943 50 0 HHAAHM CCOC([O-])=NC(=O)COC(=O)C(=Cc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000096973104 969069579 /nfs/dbraw/zinc/06/95/79/969069579.db2.gz SLBBWYZGALVVFM-ATVHPVEESA-N -1 3 419.380 3.645 50 0 HHAAHM CCOC(=O)[N-]C(=O)COC(=O)C(=Cc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000096973104 969069585 /nfs/dbraw/zinc/06/95/85/969069585.db2.gz SLBBWYZGALVVFM-ATVHPVEESA-N -1 3 419.380 3.645 50 0 HHAAHM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000000627191 132229359 /nfs/dbraw/zinc/22/93/59/132229359.db2.gz NYOSTWIJPHIUIY-GOTSBHOMSA-N -1 3 421.541 3.838 50 0 HHAAHM CCOc1ccc(C(=O)C[C@@H](C(=O)[O-])N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000002596979 132255754 /nfs/dbraw/zinc/25/57/54/132255754.db2.gz DJCLDNYNWJCHPZ-FQEVSTJZSA-N -1 3 416.905 3.587 50 0 HHAAHM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)ccc21 ZINC000007323329 132323901 /nfs/dbraw/zinc/32/39/01/132323901.db2.gz ABCABHUETWQXNI-UHFFFAOYSA-N -1 3 414.405 3.685 50 0 HHAAHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)CC)cc1 ZINC000012180397 132355796 /nfs/dbraw/zinc/35/57/96/132355796.db2.gz ZNOYXCJARUVWIV-UHFFFAOYSA-N -1 3 402.516 3.965 50 0 HHAAHM CCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3S(=O)(=O)CC)cc1 ZINC000012180487 132355823 /nfs/dbraw/zinc/35/58/23/132355823.db2.gz MCUQNIOUDPWSDR-UHFFFAOYSA-N -1 3 422.572 3.542 50 0 HHAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000012634257 132365509 /nfs/dbraw/zinc/36/55/09/132365509.db2.gz DXFITRHNBZTTAX-LJQANCHMSA-N -1 3 421.588 3.680 50 0 HHAAHM CC(=O)N1CCSc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3Cl)cc21 ZINC000032943763 519604737 /nfs/dbraw/zinc/60/47/37/519604737.db2.gz WCHKPVIFVSPVAE-UHFFFAOYSA-N -1 3 400.884 3.739 50 0 HHAAHM C[C@@H](C(=O)Nc1ccc(Cl)cc1F)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000032797424 524253590 /nfs/dbraw/zinc/25/35/90/524253590.db2.gz BMOIERCKABGXNC-ZDUSSCGKSA-N -1 3 419.884 3.862 50 0 HHAAHM COc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(C/C=C/c4ccccc4)CC3)c2c1 ZINC000032070497 525495647 /nfs/dbraw/zinc/49/56/47/525495647.db2.gz QZPNDFMXQVSPLW-GPVJQRHHSA-N -1 3 405.498 3.633 50 0 HHAAHM C[C@H](C(=O)Nc1ccc(Cl)cc1F)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000032797423 526137761 /nfs/dbraw/zinc/13/77/61/526137761.db2.gz BMOIERCKABGXNC-CYBMUJFWSA-N -1 3 419.884 3.862 50 0 HHAAHM O=S(=O)([N-]C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1cccs1 ZINC000032865330 527209712 /nfs/dbraw/zinc/20/97/12/527209712.db2.gz PKCPEZHSQWNSPU-UHFFFAOYSA-N -1 3 404.479 3.710 50 0 HHAAHM COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCCC2)cc(Cl)c1[O-] ZINC000000844456 557098596 /nfs/dbraw/zinc/09/85/96/557098596.db2.gz FEYFGCWDEHGKDA-QGZVFWFLSA-N -1 3 408.882 3.948 50 0 HHAAHM COc1cc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OCc2ccccc2)cc(Cl)c1[O-] ZINC000000885756 557111030 /nfs/dbraw/zinc/11/10/30/557111030.db2.gz SISFEVBSXFQDLW-SFHVURJKSA-N -1 3 416.861 3.768 50 0 HHAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3OC)cc2)cc1 ZINC000001003747 557140135 /nfs/dbraw/zinc/14/01/35/557140135.db2.gz PLFHSVBLONQWLZ-UHFFFAOYSA-N -1 3 412.467 3.757 50 0 HHAAHM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1OCC(N)=O ZINC000001109120 557181914 /nfs/dbraw/zinc/18/19/14/557181914.db2.gz NWRZUGFRAHWRIP-UHFFFAOYSA-N -1 3 423.705 3.620 50 0 HHAAHM O=C1[N-]C(=O)c2cc(-c3ccc(/C=C4/N=C(/C=C/c5ccccc5)OC4=O)o3)ccc21 ZINC000001203980 557240091 /nfs/dbraw/zinc/24/00/91/557240091.db2.gz XKCRKYRQRWSEHX-ABWJNHRWSA-N -1 3 410.385 3.840 50 0 HHAAHM O=C([N-]C1CCC(CC2CCC(NC(=O)C(F)(F)F)CC2)CC1)C(F)(F)F ZINC000002751749 557379366 /nfs/dbraw/zinc/37/93/66/557379366.db2.gz PFZQWHDKMWMQFY-UHFFFAOYSA-N -1 3 402.379 3.851 50 0 HHAAHM CN1OC[C@H](S(=O)(=O)[N-]Cc2ccccc2F)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000034739085 557449922 /nfs/dbraw/zinc/44/99/22/557449922.db2.gz GGDAUIJKGVZYQB-PMACEKPBSA-N -1 3 406.523 3.530 50 0 HHAAHM CCOC(=O)CCc1c(C(=O)OCC)[n-]c(CC)c1C(=O)OCc1ccccc1 ZINC000004370468 557547802 /nfs/dbraw/zinc/54/78/02/557547802.db2.gz RVQCUWODFQFLIK-UHFFFAOYSA-N -1 3 401.459 3.607 50 0 HHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)CC(C)C)cc2)c(C)c1 ZINC000004618268 557573149 /nfs/dbraw/zinc/57/31/49/557573149.db2.gz BOXJBNCMJUKWBH-UHFFFAOYSA-N -1 3 419.572 3.963 50 0 HHAAHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1 ZINC000006267996 557697026 /nfs/dbraw/zinc/69/70/26/557697026.db2.gz IDGBOOQCMDAVCH-UHFFFAOYSA-N -1 3 403.685 3.726 50 0 HHAAHM Cc1ccc(-n2ncc3c2nc(SCC(=O)Nc2ccc(C)cc2C)[n-]c3=O)cc1 ZINC000002717927 557750814 /nfs/dbraw/zinc/75/08/14/557750814.db2.gz TZJFPGYIWOKRBV-UHFFFAOYSA-N -1 3 419.510 3.765 50 0 HHAAHM Cc1nn(Cc2ccc(C(=O)[N-]c3nnc(C4CC4)s3)o2)c(C)c1Br ZINC000002780910 557761950 /nfs/dbraw/zinc/76/19/50/557761950.db2.gz QPYDAYHORNOHRL-UHFFFAOYSA-N -1 3 422.308 3.885 50 0 HHAAHM CCn1c(SCC(=O)c2cc(C)n(CCOC)c2C)nnc1-c1ccccc1[O-] ZINC000009576104 557845944 /nfs/dbraw/zinc/84/59/44/557845944.db2.gz NQBWRVMSPWEPRI-UHFFFAOYSA-N -1 3 414.531 3.710 50 0 HHAAHM COC(=O)c1sc2nc(CN(C)C(C)C)ccc2c1[N-]C(=O)c1cncs1 ZINC000011971575 558305004 /nfs/dbraw/zinc/30/50/04/558305004.db2.gz FCEVKPSVHNKPTI-UHFFFAOYSA-N -1 3 404.517 3.632 50 0 HHAAHM Cc1oc(-c2ccc(OC(C)C)cc2)nc1CSc1nc2c(nc[n-]c2=O)n1C ZINC000012372645 558390250 /nfs/dbraw/zinc/39/02/50/558390250.db2.gz DZFXNMIAVKJPLY-UHFFFAOYSA-N -1 3 411.487 3.700 50 0 biogenic,in-vitro HHAAHM CC[C@H](C)n1c([O-])c([C@@H]2NCCc3c4cc(Cl)ccc4[nH]c32)c(=O)[nH]c1=S ZINC000020622436 558394076 /nfs/dbraw/zinc/39/40/76/558394076.db2.gz DSEVQDYZZJLHMH-FVMDXXJSSA-N -1 3 404.923 3.952 50 0 HHAAHM COc1ccc(NC(=O)[C@@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000021603407 558443304 /nfs/dbraw/zinc/44/33/04/558443304.db2.gz VQUUDCXTCUUDDG-CYBMUJFWSA-N -1 3 421.482 3.649 50 0 HHAAHM CCCN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)COc1ccc(F)c(Cl)c1 ZINC000012796936 558469547 /nfs/dbraw/zinc/46/95/47/558469547.db2.gz NUOIGONQSXEHKI-UHFFFAOYSA-N -1 3 409.870 3.595 50 0 HHAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccncc1 ZINC000012971169 558488789 /nfs/dbraw/zinc/48/87/89/558488789.db2.gz LRKJNSYVFCUHII-VAMGGRTRSA-N -1 3 405.841 3.786 50 0 HHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)Nn1cnc2ccccc21 ZINC000012971257 558488863 /nfs/dbraw/zinc/48/88/63/558488863.db2.gz ZMOREGPEJDLFDS-UHFFFAOYSA-N -1 3 424.457 3.669 50 0 HHAAHM Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c([O-])c1 ZINC000012977073 558491937 /nfs/dbraw/zinc/49/19/37/558491937.db2.gz NTKPDZVDKVVOGG-UHFFFAOYSA-N -1 3 416.543 3.837 50 0 HHAAHM COc1cc(C(=S)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc(OC)c1[O-] ZINC000013692617 558573983 /nfs/dbraw/zinc/57/39/83/558573983.db2.gz CPQZTZMBMLSPGH-UHFFFAOYSA-N -1 3 407.919 3.722 50 0 HHAAHM O=C(c1ccc(Cl)cc1)N1CCN(Cn2nc(-c3cccs3)[n-]c2=S)CC1 ZINC000025474463 558642110 /nfs/dbraw/zinc/64/21/10/558642110.db2.gz IRYFHEGCFLWZPZ-UHFFFAOYSA-N -1 3 419.963 3.738 50 0 HHAAHM C[C@@H](Sc1nccn1-c1ccccc1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000026128056 558656146 /nfs/dbraw/zinc/65/61/46/558656146.db2.gz NUBSYGXCYUHAKW-CQSZACIVSA-N -1 3 401.513 3.607 50 0 HHAAHM CCCn1c(=O)[n-]c(=O)c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cnc21 ZINC000029512186 558716372 /nfs/dbraw/zinc/71/63/72/558716372.db2.gz PBXKTCHVSPQXNH-UHFFFAOYSA-N -1 3 416.437 3.539 50 0 HHAAHM COc1cccc(-c2nc(COC(=O)c3cccc([N-]S(C)(=O)=O)c3)cs2)c1 ZINC000030538553 558732219 /nfs/dbraw/zinc/73/22/19/558732219.db2.gz VKKODTIJQSHOHE-UHFFFAOYSA-N -1 3 418.496 3.547 50 0 HHAAHM O=S(=O)([N-]Cc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1C(F)(F)F ZINC000016085947 558771459 /nfs/dbraw/zinc/77/14/59/558771459.db2.gz LVEFGDSULRPTPB-UHFFFAOYSA-N -1 3 407.797 3.609 50 0 HHAAHM COc1cc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCCO3)cc(OC)c1[O-] ZINC000035606390 558794148 /nfs/dbraw/zinc/79/41/48/558794148.db2.gz JRTPMRNZDYVNIE-UHFFFAOYSA-N -1 3 420.425 3.634 50 0 HHAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(-c3noc(CC)n3)c2)cc1 ZINC000033013355 558832995 /nfs/dbraw/zinc/83/29/95/558832995.db2.gz SCPNYPDUZRGERD-UHFFFAOYSA-N -1 3 403.460 3.507 50 0 HHAAHM O=C([N-]c1cc(F)ccc1F)c1nc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000033088511 558871408 /nfs/dbraw/zinc/87/14/08/558871408.db2.gz ZEXSERCBNJXJLG-UHFFFAOYSA-N -1 3 409.274 3.934 50 0 HHAAHM Cc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000004669911 558880603 /nfs/dbraw/zinc/88/06/03/558880603.db2.gz WINUKYOMZMWROP-UHFFFAOYSA-N -1 3 419.510 3.765 50 0 HHAAHM Cc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000004669911 558880606 /nfs/dbraw/zinc/88/06/06/558880606.db2.gz WINUKYOMZMWROP-UHFFFAOYSA-N -1 3 419.510 3.765 50 0 HHAAHM Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccco3)n[n-]2)c(Br)c1 ZINC000058282815 558916463 /nfs/dbraw/zinc/91/64/63/558916463.db2.gz XQKFBTMURDNCQQ-UHFFFAOYSA-N -1 3 404.220 3.536 50 0 HHAAHM Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccco3)[n-]n2)c(Br)c1 ZINC000058282815 558916465 /nfs/dbraw/zinc/91/64/65/558916465.db2.gz XQKFBTMURDNCQQ-UHFFFAOYSA-N -1 3 404.220 3.536 50 0 HHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)Nc1ccccc1O ZINC000022024257 558984864 /nfs/dbraw/zinc/98/48/64/558984864.db2.gz DGCAPAWCFLEMMT-UHFFFAOYSA-N -1 3 400.431 3.893 50 0 HHAAHM O=c1[n-]c(CN2CCC(c3nnc4ccccn43)CC2)nc2c3ccccc3oc21 ZINC000096955707 559015329 /nfs/dbraw/zinc/01/53/29/559015329.db2.gz DCCWVWZNZGAUIL-UHFFFAOYSA-N -1 3 400.442 3.504 50 0 HHAAHM Cc1ccc(SCc2cc(=O)[n-]c(N3CCN(Cc4ccccc4)CC3)n2)cc1 ZINC000096839837 559112544 /nfs/dbraw/zinc/11/25/44/559112544.db2.gz NMIGAIIEXWLWIN-UHFFFAOYSA-N -1 3 406.555 3.693 50 0 HHAAHM Cn1ncc2c1ncnc2SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000011678537 559173532 /nfs/dbraw/zinc/17/35/32/559173532.db2.gz MRVGHEULMWQRDL-UHFFFAOYSA-N -1 3 406.496 3.621 50 0 HHAAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000137754379 559280912 /nfs/dbraw/zinc/28/09/12/559280912.db2.gz AJAPTWKTHVPRHV-BHDDXSALSA-N -1 3 418.424 3.885 50 0 HHAAHM CCOc1ccc(-c2nc(CSc3nc4c(nc(C)[n-]c4=O)n3C)c(C)o2)cc1 ZINC000019625883 560093998 /nfs/dbraw/zinc/09/39/98/560093998.db2.gz CQKIZXJBWFRKOW-UHFFFAOYSA-N -1 3 411.487 3.619 50 0 biogenic,in-vitro HHAAHM CCOc1ccccc1-c1nc(CSc2nc3c(nc(C)[n-]c3=O)n2C)c(C)o1 ZINC000019625904 560094029 /nfs/dbraw/zinc/09/40/29/560094029.db2.gz GGNDGAWAIQTBPJ-UHFFFAOYSA-N -1 3 411.487 3.619 50 0 biogenic,in-vitro HHAAHM Cc1ccc([C@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCCO)cc1 ZINC000005462422 560591884 /nfs/dbraw/zinc/59/18/84/560591884.db2.gz QCFTZWYRIHVPDV-NRFANRHFSA-N -1 3 411.889 3.980 50 0 HHAAHM Cn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)Nc1ccccc1[O-] ZINC000009328512 560758621 /nfs/dbraw/zinc/75/86/21/560758621.db2.gz ATYYQSLTTOQGPW-UHFFFAOYSA-N -1 3 424.526 3.709 50 0 HHAAHM Cc1c(Cl)cccc1N1C(=O)[C@H]2C(c3ccc(Br)cc3)=NOC2=C1[O-] ZINC000101070760 560770753 /nfs/dbraw/zinc/77/07/53/560770753.db2.gz RNEQOLANSDRLKT-HOCLYGCPSA-N -1 3 419.662 3.703 50 0 HHAAHM COc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)cc1 ZINC000005699231 560789681 /nfs/dbraw/zinc/78/96/81/560789681.db2.gz UESGTTXTMGLRPT-SUMWQHHRSA-N -1 3 403.504 3.502 50 0 HHAAHM CCOc1ccccc1NCc1cc(=O)n2nc(NCc3ccccc3Cl)[n-]c2n1 ZINC000101796272 560801537 /nfs/dbraw/zinc/80/15/37/560801537.db2.gz OWLYFPAPDIWWHE-UHFFFAOYSA-N -1 3 424.892 3.694 50 0 HHAAHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccs2)c1 ZINC000102861405 560831860 /nfs/dbraw/zinc/83/18/60/560831860.db2.gz CXQYYROFFWGQCQ-SLFFLAALSA-N -1 3 406.463 3.808 50 0 aggregator HHAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccco2)cc1 ZINC000103019882 560836781 /nfs/dbraw/zinc/83/67/81/560836781.db2.gz QKCWRQZHQLQNEA-PCCBWWKXSA-N -1 3 404.422 3.729 50 0 HHAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(OC)nc(C)n3)cc2)cc1 ZINC000012226107 560894212 /nfs/dbraw/zinc/89/42/12/560894212.db2.gz CHJPQENACUIKKA-UHFFFAOYSA-N -1 3 414.487 3.737 50 0 HHAAHM O=c1oc2ccccc2c(N2CCCC2)c1[N-]S(=O)(=O)c1ccccc1Cl ZINC000045961868 568422685 /nfs/dbraw/zinc/42/26/85/568422685.db2.gz SJVKXRUKUSCAGL-UHFFFAOYSA-N -1 3 404.875 3.847 50 0 HHAAHM CCCc1noc(-c2cc(S(=O)(=O)[N-]c3ccc(OCC)cc3)ccc2OC)n1 ZINC000046020193 568423895 /nfs/dbraw/zinc/42/38/95/568423895.db2.gz ZDLCPIADFOFZMI-UHFFFAOYSA-N -1 3 417.487 3.897 50 0 HHAAHM COc1cccc(OC)c1C([O-])=C1CC(=O)Nc2c1c(C)nn2-c1ccc(F)cc1 ZINC000046057639 568426193 /nfs/dbraw/zinc/42/61/93/568426193.db2.gz GTXHTHVXWNUFEG-OAHLLOKOSA-N -1 3 409.417 3.646 50 0 HHAAHM CCCNC(=O)c1ccc(OCc2nnc(C(=O)[N-]c3ccccc3F)s2)cc1 ZINC000033114310 568511108 /nfs/dbraw/zinc/51/11/08/568511108.db2.gz NEFAZGMNYCBOLY-UHFFFAOYSA-N -1 3 414.462 3.648 50 0 HHAAHM CC(C)CSC1=NC(=O)C([C@@H]2NCCc3c4cc(Cl)ccc4[nH]c32)C([O-])=N1 ZINC000020759569 568641820 /nfs/dbraw/zinc/64/18/20/568641820.db2.gz JXWZIFZCFJGGNT-INIZCTEOSA-N -1 3 404.923 3.593 50 0 biogenic HHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2ccccc2OCCCOc2ccccc2)S1 ZINC000020896208 568649097 /nfs/dbraw/zinc/64/90/97/568649097.db2.gz RAHXLECYTGTPBH-HXUWFJFHSA-N -1 3 413.499 3.536 50 0 HHAAHM O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)Nc1ccc(F)c(F)c1 ZINC000021281025 568686981 /nfs/dbraw/zinc/68/69/81/568686981.db2.gz YMBPJQRHTQIDFH-UHFFFAOYSA-N -1 3 413.409 3.530 50 0 HHAAHM Cc1cc(Cl)ccc1NC(=O)CN1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000015042893 568748152 /nfs/dbraw/zinc/74/81/52/568748152.db2.gz BJFKSWVAQTXJLE-UHFFFAOYSA-N -1 3 401.894 3.643 50 0 HHAAHM Cc1ccc(-c2nc(CN3CCC[C@@H](C(=O)Nc4ccc(C)cc4[O-])C3)no2)cc1 ZINC000021724699 568751278 /nfs/dbraw/zinc/75/12/78/568751278.db2.gz KWZDNMBZSJLICK-GOSISDBHSA-N -1 3 406.486 3.910 50 0 HHAAHM O=C(Nc1ccccc1C(F)(F)F)N[C@H](Cn1c([O-])coc1=O)c1ccccc1 ZINC000225637830 568777933 /nfs/dbraw/zinc/77/79/33/568777933.db2.gz SCTYUQABJNCPNA-OAHLLOKOSA-N -1 3 407.348 3.547 50 0 HHAAHM CO[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccc(Cl)s1 ZINC000225706735 568779551 /nfs/dbraw/zinc/77/95/51/568779551.db2.gz QSJBWHXNULMXBJ-SSDOTTSWSA-N -1 3 416.771 3.892 50 0 HHAAHM O=C1c2ccccc2C(=O)N1CCSc1nnc([N-]c2ccccc2F)s1 ZINC000002617119 568785714 /nfs/dbraw/zinc/78/57/14/568785714.db2.gz GBVMEDXORTYEHP-UHFFFAOYSA-N -1 3 400.460 3.809 50 0 HHAAHM Cc1ccc(C)c(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1 ZINC000002717767 568802695 /nfs/dbraw/zinc/80/26/95/568802695.db2.gz AFBZOFPIXXUWRP-UHFFFAOYSA-N -1 3 405.483 3.869 50 0 HHAAHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2F)c1 ZINC000230047538 568804462 /nfs/dbraw/zinc/80/44/62/568804462.db2.gz VVZSTPFSPDKUIM-BHDDXSALSA-N -1 3 418.424 3.885 50 0 HHAAHM O=S(=O)([N-]CC[C@@H](O)c1cccc(Cl)c1)c1ccc(Br)s1 ZINC000225611945 568822541 /nfs/dbraw/zinc/82/25/41/568822541.db2.gz AHEAYWZWQFXZFL-LLVKDONJSA-N -1 3 410.742 3.566 50 0 HHAAHM COc1ccc(Cl)cc1C(=O)OCc1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000003295663 568874867 /nfs/dbraw/zinc/87/48/67/568874867.db2.gz NAGMHJBQUKCAGM-UHFFFAOYSA-N -1 3 404.875 3.882 50 0 HHAAHM Cc1cc(C)n2nc(SCc3nc(=O)c4c(-c5ccccc5)csc4[n-]3)nc2n1 ZINC000003338060 568883079 /nfs/dbraw/zinc/88/30/79/568883079.db2.gz ODEHHZLBSWYAHN-UHFFFAOYSA-N -1 3 420.523 3.998 50 0 HHAAHM CCN(CC)c1ccc(NC(=O)[C@@H]([N-]S(=O)(=O)c2cccs2)C(C)C)cc1 ZINC000012634607 568883688 /nfs/dbraw/zinc/88/36/88/568883688.db2.gz FKGFYLLMJHXQSK-SFHVURJKSA-N -1 3 409.577 3.536 50 0 HHAAHM CS(=O)(=O)c1ccccc1C(=O)[N-]c1nnc(SCc2ccc(F)cc2)s1 ZINC000003456630 568906470 /nfs/dbraw/zinc/90/64/70/568906470.db2.gz WYKBIZUAKPOORW-UHFFFAOYSA-N -1 3 423.516 3.625 50 0 HHAAHM CCCN(CC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1nc2ccsc2c(=O)[n-]1 ZINC000012728367 568920985 /nfs/dbraw/zinc/92/09/85/568920985.db2.gz NUJGFCOJWNHTNL-UHFFFAOYSA-N -1 3 424.448 3.854 50 0 HHAAHM CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012780172 568957052 /nfs/dbraw/zinc/95/70/52/568957052.db2.gz YVBRVSFFJJXLFK-UHFFFAOYSA-N -1 3 423.557 3.870 50 0 HHAAHM C[C@@H](Sc1nnnn1C1CC1)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000008156362 568977870 /nfs/dbraw/zinc/97/78/70/568977870.db2.gz YMBHEBFZLUJXAG-MRVPVSSYSA-N -1 3 402.530 3.888 50 0 HHAAHM Cc1cc(-c2ccc(S(=O)(=O)[N-]Cc3cccc(Br)c3)s2)on1 ZINC000015731252 568981666 /nfs/dbraw/zinc/98/16/66/568981666.db2.gz ATOAWDRZFJFQME-UHFFFAOYSA-N -1 3 413.318 3.953 50 0 HHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2ccc(-c3ccc(Br)cc3)o2)S1 ZINC000015832882 569012700 /nfs/dbraw/zinc/01/27/00/569012700.db2.gz OGNBJTNLTDJLDM-OAHLLOKOSA-N -1 3 408.277 3.710 50 0 HHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cccc(OCc3ccc(Cl)cc3)c2)S1 ZINC000015833030 569012830 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Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)N(C)c1ncccc1O2 ZINC000065241528 569201805 /nfs/dbraw/zinc/20/18/05/569201805.db2.gz ZGQUYJQALQEBSR-UHFFFAOYSA-N -1 3 413.430 3.712 50 0 HHAAHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccs2)c1 ZINC000238882256 569227481 /nfs/dbraw/zinc/22/74/81/569227481.db2.gz CXQYYROFFWGQCQ-VAMGGRTRSA-N -1 3 406.463 3.808 50 0 aggregator HHAAHM Cc1cc(C)nc(Sc2ccc(NC(=O)c3nnc4ccccc4c3[O-])cc2)n1 ZINC000170624380 569249477 /nfs/dbraw/zinc/24/94/77/569249477.db2.gz WLRALCSHKMMQEB-UHFFFAOYSA-N -1 3 403.467 3.733 50 0 HHAAHM CS(=O)(=O)c1ccc([C@@H]2CC(=O)Nc3c2c(=O)[n-]n3C2CCCCCCC2)cc1 ZINC000071283945 569251979 /nfs/dbraw/zinc/25/19/79/569251979.db2.gz YLQYUSPCFYGFHR-KRWDZBQOSA-N -1 3 417.531 3.989 50 0 HHAAHM O=C(Nc1ccccc1-c1nnc[nH]1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000089845710 569267036 /nfs/dbraw/zinc/26/70/36/569267036.db2.gz QPVVTSUHJRDDPN-UHFFFAOYSA-N -1 3 419.466 3.525 50 0 HHAAHM COc1cc(S(=O)(=O)[N-]CCC2=CCCCC2)c(OC)cc1Br ZINC000007616210 569295923 /nfs/dbraw/zinc/29/59/23/569295923.db2.gz CBQLQHUCKXPNPA-UHFFFAOYSA-N -1 3 404.326 3.635 50 0 HHAAHM CCOC(=O)[C@]([O-])(c1ccc(NC(=O)NC2CCCCC2)c(C)c1)C(F)(F)F ZINC000002260556 569325199 /nfs/dbraw/zinc/32/51/99/569325199.db2.gz GRCOJNLFLKTVJP-GOSISDBHSA-N -1 3 402.413 3.762 50 0 HHAAHM O=C(CSc1nnc(-c2ccccc2[O-])o1)Oc1ccc(Br)cc1 ZINC000013121842 569409498 /nfs/dbraw/zinc/40/94/98/569409498.db2.gz RGHDMLBCXCVRQQ-UHFFFAOYSA-N -1 3 407.245 3.902 50 0 aggregator HHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1 ZINC000008840644 571123800 /nfs/dbraw/zinc/12/38/00/571123800.db2.gz RUORPLYKSWZNMS-UHFFFAOYSA-N -1 3 422.506 3.975 50 0 HHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)c2ccco2)CC3)c(C)c1 ZINC000008977179 571198276 /nfs/dbraw/zinc/19/82/76/571198276.db2.gz INNZUIZNMFLJKF-UHFFFAOYSA-N -1 3 410.495 3.896 50 0 HHAAHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)Cc3ccccc3)cc2)c1 ZINC000009667879 571278326 /nfs/dbraw/zinc/27/83/26/571278326.db2.gz TYRSGISDVJGMER-UHFFFAOYSA-N 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