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([N-]C(=O)c1ccccc1NC(=O)c1ccccc1)c1ccccc1NC(=O)c1ccccc1 ZINC000001615971 194129488 /nfs/dbraw/zinc/12/94/88/194129488.db2.gz SAFSOQVHJMQHIL-UHFFFAOYSA-N -1 3 463.493 4.761 40 0 JJABHM COC(=O)C(CC(=O)Nc1ccc(C)cc1)=C([O-])C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000001624495 194129734 /nfs/dbraw/zinc/12/97/34/194129734.db2.gz AIVPBQFJQLZJJC-OAQYLSRUSA-N -1 3 452.551 4.567 40 0 JJABHM CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3)c2)cc1 ZINC000020459746 519021053 /nfs/dbraw/zinc/02/10/53/519021053.db2.gz RWBAWEZLVVNVDH-UHFFFAOYSA-N -1 3 465.575 4.860 40 0 JJABHM CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc21 ZINC000016779571 521393392 /nfs/dbraw/zinc/39/33/92/521393392.db2.gz AHAMRYKGKQARSJ-UHFFFAOYSA-N -1 3 494.569 4.934 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(F)cc3)cc2)cc1Cl ZINC000022537057 524693906 /nfs/dbraw/zinc/69/39/06/524693906.db2.gz GPRSGIGTGLSHDY-OAHLLOKOSA-N -1 3 492.956 4.545 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3cc(C)c(C)cc3C)cc2)cc1 ZINC000022536943 524694797 /nfs/dbraw/zinc/69/47/97/524694797.db2.gz BBEPAHNKWLGETN-HXUWFJFHSA-N -1 3 482.602 4.677 40 0 JJABHM COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2C)cc1 ZINC000020022558 525135159 /nfs/dbraw/zinc/13/51/59/525135159.db2.gz STZCOUJVFMPNSV-HXUWFJFHSA-N -1 3 482.602 4.677 40 0 JJABHM COc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1OC ZINC000044904328 525144312 /nfs/dbraw/zinc/14/43/12/525144312.db2.gz STVAGODBQVHJLF-OAHLLOKOSA-N -1 3 474.966 4.649 40 0 JJABHM CC(=O)c1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(Br)c2)c1 ZINC000096297339 534889739 /nfs/dbraw/zinc/88/97/39/534889739.db2.gz HNZPIYWRPAOGKF-ZRBLBEILSA-N -1 3 491.341 4.703 40 0 JJABHM O=C(NCCSC1CCCCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020491411 526371247 /nfs/dbraw/zinc/37/12/47/526371247.db2.gz MUEIVXGDZBDOJK-UHFFFAOYSA-N -1 3 453.029 4.937 40 0 JJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000020491209 527255273 /nfs/dbraw/zinc/25/52/73/527255273.db2.gz AQBGNJQZWDJXDS-UHFFFAOYSA-N -1 3 498.608 4.693 40 0 JJABHM Cc1nccn1-c1ccccc1CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000044950150 527385686 /nfs/dbraw/zinc/38/56/86/527385686.db2.gz DOODPHQSQYPVKQ-UHFFFAOYSA-N -1 3 474.586 4.528 40 0 JJABHM Cc1nccn1-c1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000044840427 527386252 /nfs/dbraw/zinc/38/62/52/527386252.db2.gz PTNDBJMIMKEFKB-UHFFFAOYSA-N -1 3 474.586 4.528 40 0 JJABHM Cc1nccn1-c1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000020458313 527386305 /nfs/dbraw/zinc/38/63/05/527386305.db2.gz ABFBPRKWJUKJHZ-UHFFFAOYSA-N -1 3 474.586 4.528 40 0 JJABHM CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1OC ZINC000000915888 553846056 /nfs/dbraw/zinc/84/60/56/553846056.db2.gz DCAAVJMJQHOEFV-UHFFFAOYSA-N -1 3 460.559 4.942 40 0 JJABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2C)c(OC)c1 ZINC000008741747 554644434 /nfs/dbraw/zinc/64/44/34/554644434.db2.gz OUCXTBPREUSLHD-TZRRMPRUSA-N -1 3 478.932 4.717 40 0 JJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Br)cc1F)c1ccccc1F ZINC000008810670 554690917 /nfs/dbraw/zinc/69/09/17/554690917.db2.gz PVAKFMIURPJVPG-UHFFFAOYSA-N -1 3 467.291 4.780 40 0 JJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Br)cc1F)c1ccc(F)cc1 ZINC000008810835 554691560 /nfs/dbraw/zinc/69/15/60/554691560.db2.gz ORWVAQRFZSVJTD-UHFFFAOYSA-N -1 3 467.291 4.780 40 0 JJABHM Cc1ccc(C([O-])=C2[C@H](c3cccc(Oc4ccccc4)c3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000008915311 554808896 /nfs/dbraw/zinc/80/88/96/554808896.db2.gz BQDRPRMARQFALJ-ZFGGDYGUSA-N -1 3 470.447 4.891 40 0 JJABHM O=C(NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1ccc2c(c1)OCCO2 ZINC000009064595 554882659 /nfs/dbraw/zinc/88/26/59/554882659.db2.gz MCMXLKNKJUOPPI-UHFFFAOYSA-N -1 3 463.540 4.567 40 0 JJABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OCC)cc2)cc1 ZINC000009307760 555081058 /nfs/dbraw/zinc/08/10/58/555081058.db2.gz RSUPTSRMDPGAAO-NXCFDTQHSA-N -1 3 472.541 4.925 40 0 JJABHM O=c1cc(-c2ccc3ccccc3c2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[n-]1 ZINC000013611787 555534332 /nfs/dbraw/zinc/53/43/32/555534332.db2.gz DYQFEWIBALUKQG-UHFFFAOYSA-N -1 3 450.464 4.936 40 0 JJABHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1C(=O)NC(C)C ZINC000013683007 555576561 /nfs/dbraw/zinc/57/65/61/555576561.db2.gz DKFJOFLZYPIQFB-UHFFFAOYSA-N -1 3 451.759 4.594 40 0 JJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000020009616 555585214 /nfs/dbraw/zinc/58/52/14/555585214.db2.gz YFAHHOLFIIUBGX-LJQANCHMSA-N -1 3 479.385 4.530 40 0 JJABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H]3CCCc4ccccc43)cc2)c1 ZINC000020020145 555596654 /nfs/dbraw/zinc/59/66/54/555596654.db2.gz WAGRGTDRKPZZPV-XMMPIXPASA-N -1 3 464.587 4.677 40 0 JJABHM Cc1ccc(F)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000020020902 555597813 /nfs/dbraw/zinc/59/78/13/555597813.db2.gz YFGAPDJVXBHQJS-UHFFFAOYSA-N -1 3 493.354 4.715 40 0 JJABHM CSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2C)cc1 ZINC000020022338 555599558 /nfs/dbraw/zinc/59/95/58/555599558.db2.gz HOMKSZLMTBCVFS-GOSISDBHSA-N -1 3 470.616 4.774 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3)c(Cl)c2)cc1 ZINC000020023491 555601468 /nfs/dbraw/zinc/60/14/68/555601468.db2.gz OJJPVFMQCXVRGC-UHFFFAOYSA-N -1 3 496.919 4.835 40 0 JJABHM COc1cccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C([O-])=C3ON2c2ccccc2)c1OC ZINC000013750235 555608872 /nfs/dbraw/zinc/60/88/72/555608872.db2.gz FQBIEQVUWIYORW-GPXNEJASSA-N -1 3 478.932 4.717 40 0 JJABHM Cc1nccn1-c1ccc(CNC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 ZINC000020039686 555613002 /nfs/dbraw/zinc/61/30/02/555613002.db2.gz NMMRZEPKBKIRMV-UHFFFAOYSA-N -1 3 495.004 4.873 40 0 JJABHM CCOc1ccc(NC(=N)Nc2nc(CSc3nc4ccccc4s3)cc(=O)[n-]2)cc1 ZINC000010156523 555637886 /nfs/dbraw/zinc/63/78/86/555637886.db2.gz LBXPCZYCVIDIDI-UHFFFAOYSA-N -1 3 452.565 4.529 40 0 JJABHM COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000014006577 555668565 /nfs/dbraw/zinc/66/85/65/555668565.db2.gz MJKBIUUPULMAAG-SFHVURJKSA-N -1 3 454.548 4.519 40 0 JJABHM COc1c(F)c(F)c(C(=O)[N-]c2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)c(F)c1F ZINC000014273330 555772725 /nfs/dbraw/zinc/77/27/25/555772725.db2.gz ZDGIBILDRMAECI-QMMMGPOBSA-N -1 3 458.477 4.815 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(C)cc3)cc2)cc1 ZINC000014400174 555805560 /nfs/dbraw/zinc/80/55/60/555805560.db2.gz GLNKJUGABLUKMU-UHFFFAOYSA-N -1 3 454.548 4.602 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](CC)Oc3ccc(OC)cc3)cc2)cc1 ZINC000014401795 555806777 /nfs/dbraw/zinc/80/67/77/555806777.db2.gz GOAYMHHOUARIDB-XMMPIXPASA-N -1 3 484.574 4.691 40 0 JJABHM CCOC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccccc2)cc1 ZINC000017949670 556272057 /nfs/dbraw/zinc/27/20/57/556272057.db2.gz XCAQZBSZLIKKDG-VABKMULXSA-N -1 3 476.916 4.568 40 0 JJABHM Cc1ccccc1C(=O)N1CCC(c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[n-]2)CC1 ZINC000013083202 556278990 /nfs/dbraw/zinc/27/89/90/556278990.db2.gz AHVRDBLDCZRIJH-UHFFFAOYSA-N -1 3 497.386 4.610 40 0 JJABHM Cc1ccc(C(=O)N2CCC[C@H](c3nc4c(nnn4Cc4c(Cl)cccc4Cl)c(=O)[n-]3)C2)cc1 ZINC000013083650 556280329 /nfs/dbraw/zinc/28/03/29/556280329.db2.gz GNEKCMMUKBDTGD-INIZCTEOSA-N -1 3 497.386 4.610 40 0 JJABHM Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Br)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018188355 556300496 /nfs/dbraw/zinc/30/04/96/556300496.db2.gz ZBBNWERRMZMRTL-FSSWDIPSSA-N -1 3 463.331 4.809 40 0 JJABHM O=C([N-]c1nnc(-c2ccccc2)s1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000018703209 556323498 /nfs/dbraw/zinc/32/34/98/556323498.db2.gz ZODLKPGMDFIHDR-UHFFFAOYSA-N -1 3 477.011 4.676 40 0 JJABHM O=C(NC(=Cc1cc(Cl)ccc1Cl)c1nc2c([n-]c(=S)[nH]c2=O)[nH]1)c1ccccc1 ZINC000008652847 562948524 /nfs/dbraw/zinc/94/85/24/562948524.db2.gz DLDRQYXWWLRNGZ-ZROIWOOFSA-N -1 3 458.330 4.582 40 0 JJABHM CCOC(=O)c1ccc(NC(=O)CCCSc2nc3sc4c(c3c(=O)[n-]2)CCCC4)cc1 ZINC000054363728 569590362 /nfs/dbraw/zinc/59/03/62/569590362.db2.gz LVCPRBLQFANIGQ-UHFFFAOYSA-N -1 3 471.604 4.551 40 0 JJABHM O=c1/c(=C\c2cc(Cl)ccc2[O-])sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000059513145 569606366 /nfs/dbraw/zinc/60/63/66/569606366.db2.gz MWMURRQKDFEABH-RQLGBQGVSA-N -1 3 477.010 4.739 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)NCc1ccccc1Cl ZINC000035419261 569692277 /nfs/dbraw/zinc/69/22/77/569692277.db2.gz WALKAKIEZHHQKV-UHFFFAOYSA-N -1 3 498.910 4.855 40 0 JJABHM O=c1c2c(nc3cc([C@@H]4CCCN(Cc5ccc(F)cc5)C4)[n-]n31)CCN(Cc1ccc(F)cc1)C2 ZINC000100493036 569762300 /nfs/dbraw/zinc/76/23/00/569762300.db2.gz MKFMRDOLZREZKX-OAQYLSRUSA-N -1 3 489.570 4.651 40 0 JJABHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(SC)cc2)cc1 ZINC000100577948 569765206 /nfs/dbraw/zinc/76/52/06/569765206.db2.gz NCVJUURNGMHNGL-SGNDLWITSA-N -1 3 460.555 4.858 40 0 JJABHM COc1ccc(OC)c([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)c1 ZINC000101040534 569780444 /nfs/dbraw/zinc/78/04/44/569780444.db2.gz PIXHGMNZUYLXTO-QKDODKLFSA-N -1 3 480.520 4.908 40 0 JJABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(OC)ccc2OC)cc1 ZINC000101063782 569780937 /nfs/dbraw/zinc/78/09/37/569780937.db2.gz JSTRPIUJDBQWBQ-ZNZIZOMTSA-N -1 3 488.540 4.544 40 0 JJABHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2c(F)cccc2Cl)c1 ZINC000101249451 569788089 /nfs/dbraw/zinc/78/80/89/569788089.db2.gz GTHLNEAZSXTCLN-FKBYEOEOSA-N -1 3 452.869 4.539 40 0 JJABHM CCn1c(SCC(=O)N2c3ccccc3S[C@H]3C=CC=C[C@@H]32)nnc1-c1ccccc1[O-] ZINC000038181788 569800221 /nfs/dbraw/zinc/80/02/21/569800221.db2.gz BMCBBQRLSSVXQW-PXNSSMCTSA-N -1 3 462.600 4.765 40 0 JJABHM O=C([N-]C1=NN(C(=O)Nc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)S1)Nc1ccccc1 ZINC000039379145 569809584 /nfs/dbraw/zinc/80/95/84/569809584.db2.gz YVDUENLVFNKJIF-HXUWFJFHSA-N -1 3 461.503 4.788 40 0 JJABHM O=C([N-]C1=NN(C(=O)Nc2ccccc2)[C@H](c2ccc3c(c2)OCO3)S1)Nc1ccccc1 ZINC000039379144 569809613 /nfs/dbraw/zinc/80/96/13/569809613.db2.gz YVDUENLVFNKJIF-FQEVSTJZSA-N -1 3 461.503 4.788 40 0 JJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039773263 569811874 /nfs/dbraw/zinc/81/18/74/569811874.db2.gz GISIUECRYVANEB-UHFFFAOYSA-N -1 3 485.556 4.616 40 0 JJABHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1cccc(Br)c1 ZINC000102717439 569817169 /nfs/dbraw/zinc/81/71/69/569817169.db2.gz DSKQGJXZLGUQBV-HKBOAZHASA-N -1 3 467.294 4.639 40 0 JJABHM COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc5ccccc5c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102729552 569818009 /nfs/dbraw/zinc/81/80/09/569818009.db2.gz ICACOPHHXSRWJD-UODIDJSMSA-N -1 3 450.494 4.900 40 0 JJABHM Cc1nn2c(ncc3c(=O)n([N-]C(=O)c4ccc(Cl)cc4Cl)ccc32)c1-c1ccc(F)cc1 ZINC000040397026 569825702 /nfs/dbraw/zinc/82/57/02/569825702.db2.gz FKPKDIYUZFYGJE-UHFFFAOYSA-N -1 3 482.302 4.849 40 0 JJABHM O=C(Nc1cc(Cl)cc(Cl)c1)C1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000040399391 569826566 /nfs/dbraw/zinc/82/65/66/569826566.db2.gz GEAWZXIYSJGSAJ-AWEZNQCLSA-N -1 3 478.723 4.538 40 0 JJABHM O=C(Nc1cc(Cl)ccc1Cl)C1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000040399420 569826570 /nfs/dbraw/zinc/82/65/70/569826570.db2.gz IDNCYKIEGURHBE-GFCCVEGCSA-N -1 3 478.723 4.538 40 0 JJABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(Cl)cc4Cl)[n-]c(=O)c32)cc1Cl ZINC000040399568 569826770 /nfs/dbraw/zinc/82/67/70/569826770.db2.gz POEBDFQOWMJXPO-LBPRGKRZSA-N -1 3 492.750 4.847 40 0 JJABHM O=C(Nc1ccc(Oc2ccccc2)cc1)C1CC(=O)Nc2nc(Nc3ccc(F)cc3)[n-]c(=O)c21 ZINC000040399668 569826843 /nfs/dbraw/zinc/82/68/43/569826843.db2.gz DCCULPQJVIGTRM-FQEVSTJZSA-N -1 3 485.475 4.509 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)cc1Cl ZINC000107611287 569856745 /nfs/dbraw/zinc/85/67/45/569856745.db2.gz REDVATRXUGTHCO-UHFFFAOYSA-N -1 3 474.966 4.784 40 0 JJABHM CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000107663050 569856894 /nfs/dbraw/zinc/85/68/94/569856894.db2.gz PBTHZWFNXZGSRN-UHFFFAOYSA-N -1 3 452.576 4.938 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3CC)cc2)cc1 ZINC000107810365 569857453 /nfs/dbraw/zinc/85/74/53/569857453.db2.gz ZDXRZKDFCYZWQB-UHFFFAOYSA-N -1 3 468.575 4.774 40 0 JJABHM COc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc(Br)c1[O-] ZINC000205666218 569874091 /nfs/dbraw/zinc/87/40/91/569874091.db2.gz JEXGMVUOHJPUAI-AYSLTRBKSA-N -1 3 498.738 4.782 40 0 JJABHM COC(=O)c1ccc(CS(=O)(=O)[N-]c2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000216244618 569877934 /nfs/dbraw/zinc/87/79/34/569877934.db2.gz CQJALYCUPQZPQJ-UHFFFAOYSA-N -1 3 465.571 4.944 40 0 JJABHM O=C(NCCOc1ccc(Cl)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000224407841 569943607 /nfs/dbraw/zinc/94/36/07/569943607.db2.gz FKYIQHKUKKTDHW-UHFFFAOYSA-N -1 3 465.358 4.603 40 0 JJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCOc3ccc(C)c(C)c3)cc2Cl)cc1 ZINC000224411032 569943736 /nfs/dbraw/zinc/94/37/36/569943736.db2.gz YLANWERSCOZPNK-UHFFFAOYSA-N -1 3 472.994 4.875 40 0 JJABHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1Cc1ccncc1 ZINC000224593827 569949851 /nfs/dbraw/zinc/94/98/51/569949851.db2.gz FOCZABSYTQWOPY-JWQCQUIFSA-N -1 3 455.587 4.826 40 0 JJABHM Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1Cc1cccnc1 ZINC000224593628 569949859 /nfs/dbraw/zinc/94/98/59/569949859.db2.gz XENYVSPYJCLHGJ-JWQCQUIFSA-N -1 3 455.587 4.826 40 0 JJABHM COCCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1C ZINC000224867549 569960896 /nfs/dbraw/zinc/96/08/96/569960896.db2.gz XQSWSFPVROHHLC-VXKWHMMOSA-N -1 3 456.999 4.682 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCCC3)cc2)cc1Cl ZINC000408594460 569965550 /nfs/dbraw/zinc/96/55/50/569965550.db2.gz SFAALKWNXUDMNC-UHFFFAOYSA-N -1 3 450.988 4.667 40 0 JJABHM CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000408594952 569965819 /nfs/dbraw/zinc/96/58/19/569965819.db2.gz PYUPOPORKXKHMO-GFCCVEGCSA-N -1 3 479.813 4.987 40 0 JJABHM CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000408594954 569965882 /nfs/dbraw/zinc/96/58/82/569965882.db2.gz PYUPOPORKXKHMO-LBPRGKRZSA-N -1 3 479.813 4.987 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3F)c(Cl)c2)cc1 ZINC000408598032 569967724 /nfs/dbraw/zinc/96/77/24/569967724.db2.gz YYUCXOORNISJOK-UHFFFAOYSA-N -1 3 466.893 4.745 40 0 JJABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccc(C)cc1 ZINC000224990857 569967806 /nfs/dbraw/zinc/96/78/06/569967806.db2.gz QOZPHDRPFPPFNP-MRXNPFEDSA-N -1 3 485.418 4.835 40 0 JJABHM O=C(CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1)Nc1ccc(OC(F)F)cc1 ZINC000408599972 569968238 /nfs/dbraw/zinc/96/82/38/569968238.db2.gz PXRFYBDIMSRQFN-UHFFFAOYSA-N -1 3 468.485 4.972 40 0 JJABHM O=C(Nc1c(F)cccc1F)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408605584 569970885 /nfs/dbraw/zinc/97/08/85/569970885.db2.gz NBCKREPAEAZKMO-GOSISDBHSA-N -1 3 485.339 4.800 40 0 JJABHM COc1ccc(C)cc1NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408609409 569972123 /nfs/dbraw/zinc/97/21/23/569972123.db2.gz SUNJWYNWVSEXPY-HXUWFJFHSA-N -1 3 493.412 4.839 40 0 JJABHM CCOc1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000408610851 569972542 /nfs/dbraw/zinc/97/25/42/569972542.db2.gz WGZIZQGOAGWNNM-OAQYLSRUSA-N -1 3 493.412 4.920 40 0 JJABHM COc1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000408611375 569972861 /nfs/dbraw/zinc/97/28/61/569972861.db2.gz WUFYCEYFCBWOGT-FQEVSTJZSA-N -1 3 479.385 4.530 40 0 JJABHM CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2Cl)cc1 ZINC000408635618 569985984 /nfs/dbraw/zinc/98/59/84/569985984.db2.gz FYGVLCMYWLZGOF-UHFFFAOYSA-N -1 3 474.966 4.729 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)cc1 ZINC000408636016 569986328 /nfs/dbraw/zinc/98/63/28/569986328.db2.gz KPRDHUKDYJYASX-UHFFFAOYSA-N -1 3 481.357 4.820 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)cc1 ZINC000408636044 569986347 /nfs/dbraw/zinc/98/63/47/569986347.db2.gz KTXLPUYHDVQYFP-UHFFFAOYSA-N -1 3 474.966 4.784 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCC3=CCCCC3)c(Cl)c2)cc1 ZINC000408636540 569986797 /nfs/dbraw/zinc/98/67/97/569986797.db2.gz RVNFXPATOABAHQ-UHFFFAOYSA-N -1 3 478.998 4.535 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 ZINC000408636536 569986818 /nfs/dbraw/zinc/98/68/18/569986818.db2.gz RUXGNHRBBLHNTG-UHFFFAOYSA-N -1 3 478.929 4.696 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c(Cl)c2)cc1 ZINC000408636730 569986928 /nfs/dbraw/zinc/98/69/28/569986928.db2.gz ULNNFIPPVHDRNQ-UHFFFAOYSA-N -1 3 499.347 4.959 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCCCC3)c(Cl)c2)cc1 ZINC000408637277 569987315 /nfs/dbraw/zinc/98/73/15/569987315.db2.gz ZIUSGPXHKNTDTF-UHFFFAOYSA-N -1 3 481.014 4.757 40 0 JJABHM CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1C ZINC000408674819 570009602 /nfs/dbraw/zinc/00/96/02/570009602.db2.gz ITVXGKBDPOGSJP-UHFFFAOYSA-N -1 3 482.602 4.947 40 0 JJABHM CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2C)cc1 ZINC000408674792 570009610 /nfs/dbraw/zinc/00/96/10/570009610.db2.gz HTIDENMUEYYKKG-UHFFFAOYSA-N -1 3 452.576 4.993 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)c(C)c2)cc1 ZINC000408674968 570009677 /nfs/dbraw/zinc/00/96/77/570009677.db2.gz NYBOGTXDNFSKQU-UHFFFAOYSA-N -1 3 494.491 4.841 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000408675613 570010450 /nfs/dbraw/zinc/01/04/50/570010450.db2.gz JPXWTDIQRONIJU-UHFFFAOYSA-N -1 3 496.604 4.795 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000408676475 570010648 /nfs/dbraw/zinc/01/06/48/570010648.db2.gz OIDCYPFGCHDURG-UHFFFAOYSA-N -1 3 482.455 4.971 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)N[C@@H](C)CCc1ccccc1 ZINC000408676972 570010804 /nfs/dbraw/zinc/01/08/04/570010804.db2.gz PDYFLVUQYZDNTF-IBGZPJMESA-N -1 3 487.021 4.966 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)NCc1ccccc1Cl ZINC000408678572 570011401 /nfs/dbraw/zinc/01/14/01/570011401.db2.gz SRAJHKOECOOHNC-UHFFFAOYSA-N -1 3 479.385 4.798 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](CC)Oc3ccccc3F)cc2)cc1 ZINC000408678929 570011493 /nfs/dbraw/zinc/01/14/93/570011493.db2.gz KPAVAKVMRIJIGY-QFIPXVFZSA-N -1 3 472.538 4.821 40 0 JJABHM COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000408679174 570011635 /nfs/dbraw/zinc/01/16/35/570011635.db2.gz IUYICZHFTKCHTI-HNNXBMFYSA-N -1 3 460.939 4.555 40 0 JJABHM COc1ccc(C([O-])=C(CC(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408679430 570011734 /nfs/dbraw/zinc/01/17/34/570011734.db2.gz FBASSOVUELBGIA-HSZRJFAPSA-N -1 3 456.947 4.955 40 0 JJABHM CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000408693944 570016472 /nfs/dbraw/zinc/01/64/72/570016472.db2.gz CNQVDFYKPCCAFE-JOCHJYFZSA-N -1 3 474.966 4.946 40 0 JJABHM CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000408693945 570016532 /nfs/dbraw/zinc/01/65/32/570016532.db2.gz CNQVDFYKPCCAFE-QFIPXVFZSA-N -1 3 474.966 4.946 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)cc1 ZINC000225782906 570021380 /nfs/dbraw/zinc/02/13/80/570021380.db2.gz ULEANQQPWGSIGC-UHFFFAOYSA-N -1 3 460.964 4.574 40 0 JJABHM COc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1 ZINC000408705653 570024868 /nfs/dbraw/zinc/02/48/68/570024868.db2.gz KNHFKDJRFJPRSC-OAHLLOKOSA-N -1 3 460.939 4.555 40 0 JJABHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1C(=O)N1CCC(C)CC1 ZINC000408705718 570024878 /nfs/dbraw/zinc/02/48/78/570024878.db2.gz LYMRXVOSGYJCQD-UHFFFAOYSA-N -1 3 457.379 4.675 40 0 JJABHM CCOc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc(I)c1[O-] ZINC000408773136 570039461 /nfs/dbraw/zinc/03/94/61/570039461.db2.gz STVWOGQMAYXKKV-OWMRDYPQSA-N -1 3 496.370 4.558 40 0 JJABHM COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2cc(Br)c([O-])c(OC)c2)S1 ZINC000408804045 570046734 /nfs/dbraw/zinc/04/67/34/570046734.db2.gz CJGVLYCPOWLANG-UHFFFAOYSA-N -1 3 470.752 4.588 40 0 JJABHM CCOC(=O)C1=C(C)NC(SCc2cccc(C(=O)[O-])c2)=N[C@H]1c1ccc(SC)cc1 ZINC000408882105 570063123 /nfs/dbraw/zinc/06/31/23/570063123.db2.gz PTWRBHUFVICBQX-FQEVSTJZSA-N -1 3 456.589 4.878 40 0 JJABHM COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000408907752 570071273 /nfs/dbraw/zinc/07/12/73/570071273.db2.gz QQWIQXHDAHCSEY-UHFFFAOYSA-N -1 3 481.357 4.820 40 0 JJABHM CCOc1cccc2c1OC(C)(C)[C@@H]1C[C@@H]3CN(Cc4ccc(C(=O)[O-])cc4)CC[C@H]3O[C@@H]21 ZINC000257204789 570109267 /nfs/dbraw/zinc/10/92/67/570109267.db2.gz AWHKFOPXPNYMMS-YJRNTSOCSA-N -1 3 451.563 4.923 40 0 JJABHM C[C@@H]1CC[C@@H]2[C@@H](C1)c1c([O-])c(C(=O)NCCCn3ccnc3)cc(Br)c1OC2(C)C ZINC000257247419 570122266 /nfs/dbraw/zinc/12/22/66/570122266.db2.gz IYYPSSRGLFLOLV-BFYDXBDKSA-N -1 3 476.415 4.862 40 0 JJABHM O=C(c1cc(=O)[n-]c(-c2ccccc2)n1)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257262374 570127067 /nfs/dbraw/zinc/12/70/67/570127067.db2.gz LLDXCZZHSCAOIF-IBGZPJMESA-N -1 3 458.493 4.587 40 0 JJABHM CC(C)CN1C(=O)C2(C[C@H]1Cc1cccc(F)c1)CCN(Cc1cccc(C(=O)[O-])c1)CC2 ZINC000257276278 570131505 /nfs/dbraw/zinc/13/15/05/570131505.db2.gz NTBSQSNSAHXLDV-XMMPIXPASA-N -1 3 452.570 4.606 40 0 JJABHM CCOc1cccc2c1OC(C)(C)[C@H]1C[C@H]3CN(Cc4ccc(OCC(=O)[O-])cc4)CC[C@@H]3O[C@H]21 ZINC000257292222 570136204 /nfs/dbraw/zinc/13/62/04/570136204.db2.gz QKNWFSJSEBZCSU-RZOLNQLPSA-N -1 3 481.589 4.688 40 0 JJABHM Cc1ccc2c(c1)OC(C)(C)[C@@H]1C[C@H]3CN(Cc4ccc(OCC(=O)[O-])cc4)CC[C@H]3O[C@@H]21 ZINC000257296710 570137453 /nfs/dbraw/zinc/13/74/53/570137453.db2.gz REAUWGMXGOHQOC-YCUIJWHHSA-N -1 3 451.563 4.598 40 0 JJABHM O=C1[N-]C(=O)C(=Cc2cn(CCOc3ccc4c(c3)OCO4)c3ccc(Br)cc23)S1 ZINC000409126342 570138120 /nfs/dbraw/zinc/13/81/20/570138120.db2.gz BHJXXLISZJVBKZ-GXHLCREISA-N -1 3 487.331 4.535 40 0 JJABHM CCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1cc(Cl)c([O-])c(OC)c1 ZINC000261363409 570167898 /nfs/dbraw/zinc/16/78/98/570167898.db2.gz RNCHOJJTEMKKQP-HXUWFJFHSA-O -1 3 459.979 4.759 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1Cl ZINC000408550224 570194900 /nfs/dbraw/zinc/19/49/00/570194900.db2.gz BRBKBVWHZNDYQX-UHFFFAOYSA-N -1 3 481.357 4.820 40 0 JJABHM C[C@@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccccc1 ZINC000408550756 570195002 /nfs/dbraw/zinc/19/50/02/570195002.db2.gz DUBCFFHZPIDEDO-MRXNPFEDSA-N -1 3 478.492 4.762 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C(C)C)cc2)cc1 ZINC000408550922 570195123 /nfs/dbraw/zinc/19/51/23/570195123.db2.gz GICZFDAXJVJUOW-UHFFFAOYSA-N -1 3 468.575 4.945 40 0 JJABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1NC(=O)c1ccccc1 ZINC000408557849 570198538 /nfs/dbraw/zinc/19/85/38/570198538.db2.gz OGSKMRTZPUUWHK-UHFFFAOYSA-N -1 3 479.327 4.650 40 0 JJABHM CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000408558897 570199326 /nfs/dbraw/zinc/19/93/26/570199326.db2.gz KNGPWYQPFZYAEY-UHFFFAOYSA-N -1 3 494.491 4.922 40 0 JJABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1NC(=O)c1ccccc1F ZINC000408559169 570199550 /nfs/dbraw/zinc/19/95/50/570199550.db2.gz VWHGUYJBBRBQFO-UHFFFAOYSA-N -1 3 497.317 4.789 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC)c(NC(=O)c3ccccc3F)c2)cc1 ZINC000408559460 570199764 /nfs/dbraw/zinc/19/97/64/570199764.db2.gz MDQMUESMWOVEGO-UHFFFAOYSA-N -1 3 458.511 4.676 40 0 JJABHM CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408561169 570200816 /nfs/dbraw/zinc/20/08/16/570200816.db2.gz RBIOEJYOLWQBQR-UHFFFAOYSA-N -1 3 494.491 4.922 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl)Nc1ccccc1Cl ZINC000408561595 570201194 /nfs/dbraw/zinc/20/11/94/570201194.db2.gz KEVITDZWWCNEKP-UHFFFAOYSA-N -1 3 469.321 4.951 40 0 JJABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)CCc3ccccc3)cc2)c1 ZINC000408583738 570207349 /nfs/dbraw/zinc/20/73/49/570207349.db2.gz JLPOLHDSTMOXOM-NRFANRHFSA-N -1 3 466.603 4.621 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)CCc3ccccc3)cc2)cc1C ZINC000408584261 570207497 /nfs/dbraw/zinc/20/74/97/570207497.db2.gz NOSSUSZVHGSTRT-OAQYLSRUSA-N -1 3 466.603 4.621 40 0 JJABHM CCCCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1 ZINC000408584620 570207652 /nfs/dbraw/zinc/20/76/52/570207652.db2.gz SCCKZXBDFFTWME-UHFFFAOYSA-N -1 3 496.585 4.770 40 0 JJABHM C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000408584893 570207781 /nfs/dbraw/zinc/20/77/81/570207781.db2.gz WGDRKSDOJVPUSY-SFHVURJKSA-N -1 3 472.994 4.657 40 0 JJABHM CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2Cl)cc1 ZINC000408586074 570208076 /nfs/dbraw/zinc/20/80/76/570208076.db2.gz ABOQINXKNKOEFM-UHFFFAOYSA-N -1 3 478.929 4.696 40 0 JJABHM CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)c1 ZINC000408588467 570208593 /nfs/dbraw/zinc/20/85/93/570208593.db2.gz GIVZEPBUYGGOLX-UHFFFAOYSA-N -1 3 472.950 4.669 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC3CCCCC3)cc2)cc1Cl ZINC000408590677 570209049 /nfs/dbraw/zinc/20/90/49/570209049.db2.gz KIADZLCHWYMLQS-INIZCTEOSA-N -1 3 450.988 4.665 40 0 JJABHM C[C@@H](NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000408592311 570209425 /nfs/dbraw/zinc/20/94/25/570209425.db2.gz JXQYGUYOSJURQM-IIBYNOLFSA-N -1 3 477.413 4.760 40 0 JJABHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408593125 570209669 /nfs/dbraw/zinc/20/96/69/570209669.db2.gz PCSYZNPICVURCL-INIZCTEOSA-N -1 3 450.988 4.665 40 0 JJABHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408593230 570209694 /nfs/dbraw/zinc/20/96/94/570209694.db2.gz PSWCZNNAMWVRAH-GOSISDBHSA-N -1 3 458.624 4.828 40 0 JJABHM CC(C)(C)c1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(Cl)cc2)cc1 ZINC000004163747 194382002 /nfs/dbraw/zinc/38/20/02/194382002.db2.gz RCVLCXATELFIOA-LZJOCLMNSA-N -1 3 454.876 4.741 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(Cl)c3)cc2)cc1 ZINC000020464903 521132717 /nfs/dbraw/zinc/13/27/17/521132717.db2.gz BGYGUYHNMPQDFM-MRXNPFEDSA-N -1 3 474.966 4.946 40 0 JJABHM CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000020457892 523053086 /nfs/dbraw/zinc/05/30/86/523053086.db2.gz DIDYEUUMBVGHJL-XMMPIXPASA-N -1 3 468.575 4.909 40 0 JJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1ccccc1SC ZINC000020009903 524251476 /nfs/dbraw/zinc/25/14/76/524251476.db2.gz RCBOTRFJYSJKBU-LJQANCHMSA-N -1 3 491.034 4.599 40 0 JJABHM Cc1cccc(N2CCN(C(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)c(Cl)c3)CC2)c1C ZINC000022528064 524549794 /nfs/dbraw/zinc/54/97/94/524549794.db2.gz HDPPHUHMEOSFQR-UHFFFAOYSA-N -1 3 484.021 4.720 40 0 JJABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC(F)(F)F)cc2)cc1 ZINC000009478649 524928290 /nfs/dbraw/zinc/92/82/90/524928290.db2.gz BGTOLEVKKWBDTR-BDTNDASRSA-N -1 3 468.431 4.945 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000022537347 525421137 /nfs/dbraw/zinc/42/11/37/525421137.db2.gz BUNWNTXVWSEEIL-INIZCTEOSA-N -1 3 476.957 4.845 40 0 JJABHM COc1cccc(CCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)c1 ZINC000020456020 525890079 /nfs/dbraw/zinc/89/00/79/525890079.db2.gz UOXRRKMKWREAOB-UHFFFAOYSA-N -1 3 458.967 4.512 40 0 JJABHM Cc1nccn1-c1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000020453009 527374706 /nfs/dbraw/zinc/37/47/06/527374706.db2.gz GPWCIHYLRXYKMB-UHFFFAOYSA-N -1 3 480.977 4.565 40 0 JJABHM Cc1nccn1-c1ccccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000020106573 527385670 /nfs/dbraw/zinc/38/56/70/527385670.db2.gz VAEXEXVPNPGQEG-UHFFFAOYSA-N -1 3 474.586 4.528 40 0 JJABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(Br)c2)cc1 ZINC000096295632 536664319 /nfs/dbraw/zinc/66/43/19/536664319.db2.gz WYVWBPPALSLZKV-FKBYEOEOSA-N -1 3 479.330 4.509 40 0 JJABHM Cc1cc(Br)cc(Br)c1NC(=O)C(=S)[N-]CCc1ccccc1 ZINC000000626245 553714340 /nfs/dbraw/zinc/71/43/40/553714340.db2.gz BRGPDOUJLVWZED-UHFFFAOYSA-N -1 3 456.203 4.618 40 0 JJABHM [O-]C(c1ccccc1)=C1[C@H](c2ccc(OCc3ccccc3)cc2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000000946542 553879328 /nfs/dbraw/zinc/87/93/28/553879328.db2.gz PQOYHSQLTFQGID-DPLHUUCSSA-N -1 3 486.515 4.534 40 0 JJABHM CCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccccc2)cc1 ZINC000008741616 554643993 /nfs/dbraw/zinc/64/39/93/554643993.db2.gz XCAQZBSZLIKKDG-ZLNRFVROSA-N -1 3 476.916 4.568 40 0 JJABHM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(C)cc1 ZINC000008741559 554644040 /nfs/dbraw/zinc/64/40/40/554644040.db2.gz FWQFECJWKWTCSZ-VSKRKVRLSA-N -1 3 476.554 4.511 40 0 JJABHM COc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(C)cc(C)c4o3)c2)cc1OC ZINC000008835185 554733799 /nfs/dbraw/zinc/73/37/99/554733799.db2.gz REBHYGDSRCMGBD-UHFFFAOYSA-N -1 3 477.542 4.961 40 0 JJABHM O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c([O-])c1)c1ccc2c(c1)OCCO2 ZINC000009064601 554882911 /nfs/dbraw/zinc/88/29/11/554882911.db2.gz ZXMDRYHYFGHCIL-UHFFFAOYSA-N -1 3 463.540 4.567 40 0 JJABHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)cc1 ZINC000009462736 555232001 /nfs/dbraw/zinc/23/20/01/555232001.db2.gz DDAVAODKVWGTQY-SDHOMARFSA-N -1 3 458.514 4.622 40 0 JJABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(Br)c2)cc1 ZINC000013713534 555591170 /nfs/dbraw/zinc/59/11/70/555591170.db2.gz WYVWBPPALSLZKV-FSSWDIPSSA-N -1 3 479.330 4.509 40 0 JJABHM COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1 ZINC000020021064 555598197 /nfs/dbraw/zinc/59/81/97/555598197.db2.gz RCRXNZIZDYICQU-KRWDZBQOSA-N -1 3 488.993 4.714 40 0 JJABHM COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C)cc1 ZINC000020022373 555599949 /nfs/dbraw/zinc/59/99/49/555599949.db2.gz KNTSALMMZXPDLP-QGZVFWFLSA-N -1 3 488.993 4.714 40 0 JJABHM COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C)cc1 ZINC000020022376 555600050 /nfs/dbraw/zinc/60/00/50/555600050.db2.gz KNTSALMMZXPDLP-KRWDZBQOSA-N -1 3 488.993 4.714 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3F)c(Cl)c2)cc1 ZINC000020023487 555601519 /nfs/dbraw/zinc/60/15/19/555601519.db2.gz RWBWSSFBUXCDBL-UHFFFAOYSA-N -1 3 496.919 4.835 40 0 JJABHM COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000013752271 555610273 /nfs/dbraw/zinc/61/02/73/555610273.db2.gz FXRVZIUSXVMWPB-FSSWDIPSSA-N -1 3 485.323 4.759 40 0 JJABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCSCc2c(Cl)cccc2Cl)cc1Cl ZINC000020044462 555615576 /nfs/dbraw/zinc/61/55/76/555615576.db2.gz SQXLPMILLDAHKJ-UHFFFAOYSA-N -1 3 467.827 4.682 40 0 JJABHM CCOc1ccccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000020105082 555638381 /nfs/dbraw/zinc/63/83/81/555638381.db2.gz TZOGLIKMYOYXNS-UHFFFAOYSA-N -1 3 458.967 4.778 40 0 JJABHM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1OC ZINC000020105277 555638711 /nfs/dbraw/zinc/63/87/11/555638711.db2.gz KRHFPBOSEQEZJP-KRWDZBQOSA-N -1 3 486.615 4.932 40 0 JJABHM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1OC ZINC000013980919 555666521 /nfs/dbraw/zinc/66/65/21/555666521.db2.gz UIWUXTZYQRUKPK-VGOFMYFVSA-N -1 3 466.559 4.773 40 0 JJABHM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1OC ZINC000013998013 555668308 /nfs/dbraw/zinc/66/83/08/555668308.db2.gz XVBFQKFGXMEIRZ-OQLLNIDSSA-N -1 3 466.559 4.773 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)cc1 ZINC000014006923 555668676 /nfs/dbraw/zinc/66/86/76/555668676.db2.gz XMIUNUJHUVARJI-HNNXBMFYSA-N -1 3 460.939 4.555 40 0 JJABHM COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1 ZINC000014401437 555806910 /nfs/dbraw/zinc/80/69/10/555806910.db2.gz IJRFJVYIJXBJOR-UHFFFAOYSA-N -1 3 474.966 4.947 40 0 JJABHM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(C)cc1 ZINC000012017266 555884926 /nfs/dbraw/zinc/88/49/26/555884926.db2.gz FWQFECJWKWTCSZ-FKBYEOEOSA-N -1 3 476.554 4.511 40 0 JJABHM COc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c1 ZINC000022524081 555931262 /nfs/dbraw/zinc/93/12/62/555931262.db2.gz SECVPZBSZHBMOZ-GOSISDBHSA-N -1 3 454.548 4.519 40 0 JJABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000017862257 556269358 /nfs/dbraw/zinc/26/93/58/556269358.db2.gz KCPNSCLXHOLDPK-FSSWDIPSSA-N -1 3 479.330 4.509 40 0 JJABHM CCCCCCC(=O)N1CCC(c2nc3c(nnn3Cc3ccc(Cl)cc3Cl)c(=O)[n-]2)CC1 ZINC000013083222 556279535 /nfs/dbraw/zinc/27/95/35/556279535.db2.gz FRNYSZZKLCVBLP-UHFFFAOYSA-N -1 3 491.423 4.958 40 0 JJABHM O=C(C1CCCCC1)N1CCC[C@H](c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[n-]2)C1 ZINC000013083635 556280411 /nfs/dbraw/zinc/28/04/11/556280411.db2.gz TVPSKXBLSASZRW-HNNXBMFYSA-N -1 3 489.407 4.568 40 0 JJABHM CCOc1cc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000018069399 556283503 /nfs/dbraw/zinc/28/35/03/556283503.db2.gz CLFLKKAXZPKSEK-SGNDLWITSA-N -1 3 478.932 4.804 40 0 JJABHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(C)cc1 ZINC000018087409 556285908 /nfs/dbraw/zinc/28/59/08/556285908.db2.gz NYMXESZBJXQADW-VJBWXMMDSA-N -1 3 490.581 4.901 40 0 JJABHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cccc(Br)c1 ZINC000018114381 556289209 /nfs/dbraw/zinc/28/92/09/556289209.db2.gz ILRRTUNBFQAYMI-VJBWXMMDSA-N -1 3 493.357 4.899 40 0 JJABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000018187790 556300419 /nfs/dbraw/zinc/30/04/19/556300419.db2.gz QIFYGGOSVKHCEK-FSSWDIPSSA-N -1 3 497.320 4.648 40 0 JJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)N3CCCC3)cc2Cl)cc1 ZINC000030850476 556377287 /nfs/dbraw/zinc/37/72/87/556377287.db2.gz GNXKOBRTHIIVQK-UHFFFAOYSA-N -1 3 498.004 4.938 40 0 JJABHM CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000030850784 556377332 /nfs/dbraw/zinc/37/73/32/556377332.db2.gz HIEITLWPMQELKP-HSZRJFAPSA-N -1 3 468.575 4.909 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)Nc1ccccc1Cl ZINC000033429405 569626267 /nfs/dbraw/zinc/62/62/67/569626267.db2.gz ZWTYKZJSEDUBMO-UHFFFAOYSA-N -1 3 451.331 4.812 40 0 JJABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)c1 ZINC000033653864 569629779 /nfs/dbraw/zinc/62/97/79/569629779.db2.gz RDGIJAXSXKZZNG-UHFFFAOYSA-N -1 3 475.364 4.576 40 0 JJABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)cc2)c1 ZINC000033740589 569633123 /nfs/dbraw/zinc/63/31/23/569633123.db2.gz LIBKZPVNZLOCBC-UHFFFAOYSA-N -1 3 464.465 4.832 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 ZINC000033795393 569635371 /nfs/dbraw/zinc/63/53/71/569635371.db2.gz LLUSSKUZFFMDNK-UHFFFAOYSA-N -1 3 481.357 4.820 40 0 JJABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000035377605 569685252 /nfs/dbraw/zinc/68/52/52/569685252.db2.gz CDWFFZRIWYIOFG-UHFFFAOYSA-N -1 3 492.641 4.964 40 0 JJABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000100626316 569765754 /nfs/dbraw/zinc/76/57/54/569765754.db2.gz OVBRODNAMZDVAL-SGNDLWITSA-N -1 3 478.932 4.717 40 0 JJABHM COc1cccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)c1OC ZINC000101028389 569779942 /nfs/dbraw/zinc/77/99/42/569779942.db2.gz IJMYYCGLMIZEQX-KLJDGLGGSA-N -1 3 480.520 4.908 40 0 JJABHM CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)cc1 ZINC000101029492 569779945 /nfs/dbraw/zinc/77/99/45/569779945.db2.gz DDAVAODKVWGTQY-SDHSZQHLSA-N -1 3 458.514 4.622 40 0 JJABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(OC)c2)cc1 ZINC000101089917 569782125 /nfs/dbraw/zinc/78/21/25/569782125.db2.gz FTVXESHJNBLTRS-DSITVLBTSA-N -1 3 458.514 4.535 40 0 JJABHM COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccc(Cl)cc2)ccc1O ZINC000101155966 569784889 /nfs/dbraw/zinc/78/48/89/569784889.db2.gz DATOMUUNBYGINO-FKBYEOEOSA-N -1 3 485.323 4.759 40 0 JJABHM CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cccc(Br)c1 ZINC000101164317 569785333 /nfs/dbraw/zinc/78/53/33/569785333.db2.gz ILRRTUNBFQAYMI-VABKMULXSA-N -1 3 493.357 4.899 40 0 JJABHM CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(SC)cc1 ZINC000101212719 569787173 /nfs/dbraw/zinc/78/71/73/569787173.db2.gz MCDHGROHRRBXPD-HJOGWXRNSA-N -1 3 460.555 4.858 40 0 JJABHM Cc1cc(NC(=O)CSc2nc(-c3cc(Br)ccc3[O-])n[nH]2)ccc1Cl ZINC000038160884 569799564 /nfs/dbraw/zinc/79/95/64/569799564.db2.gz FZIIVGNAOOWCKE-UHFFFAOYSA-N -1 3 453.749 4.632 40 0 JJABHM Cc1cc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3[O-])n2)ccc1Cl ZINC000038160884 569799565 /nfs/dbraw/zinc/79/95/65/569799565.db2.gz FZIIVGNAOOWCKE-UHFFFAOYSA-N -1 3 453.749 4.632 40 0 JJABHM Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Br)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102663050 569815270 /nfs/dbraw/zinc/81/52/70/569815270.db2.gz ZBBNWERRMZMRTL-BHIFYINESA-N -1 3 463.331 4.809 40 0 JJABHM COc1cccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)c1 ZINC000102721602 569817330 /nfs/dbraw/zinc/81/73/30/569817330.db2.gz ODNYNGYVSPLJMG-KKUQBAQOSA-N -1 3 450.494 4.900 40 0 JJABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000102759889 569821749 /nfs/dbraw/zinc/82/17/49/569821749.db2.gz WUMVUHCFLQCRAE-BHIFYINESA-N -1 3 497.320 4.648 40 0 JJABHM O=C1[C@@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@@H]2c1ccccc1F ZINC000102767902 569823206 /nfs/dbraw/zinc/82/32/06/569823206.db2.gz YZYFGUQOTPCHLL-HBMCJLEFSA-N -1 3 456.395 4.896 40 0 JJABHM O=C(Nc1cc(Cl)ccc1Cl)C1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000040399322 569826454 /nfs/dbraw/zinc/82/64/54/569826454.db2.gz RBDGGBULFHCQBG-GFCCVEGCSA-N -1 3 478.723 4.538 40 0 JJABHM Cc1ccc(Cl)cc1NC(=O)C1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[n-]c(=O)c21 ZINC000040399489 569826717 /nfs/dbraw/zinc/82/67/17/569826717.db2.gz IHUOCCKZSLAYRW-CQSZACIVSA-N -1 3 492.750 4.847 40 0 JJABHM O=C(Nc1ccccc1Cl)C1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[n-]c(=O)c21 ZINC000040399476 569826736 /nfs/dbraw/zinc/82/67/36/569826736.db2.gz PZEVXXVXZXASOH-LBPRGKRZSA-N -1 3 478.723 4.538 40 0 JJABHM Cc1c(Cl)cccc1NC(=O)C1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[n-]c(=O)c21 ZINC000040399569 569826788 /nfs/dbraw/zinc/82/67/88/569826788.db2.gz MRDIEWGAXQEWNH-LLVKDONJSA-N -1 3 492.750 4.847 40 0 JJABHM Cc1ccc(CN2C(=O)S/C(=C\c3ccc([O-])c(I)c3)C2=O)cc1 ZINC000106704237 569854871 /nfs/dbraw/zinc/85/48/71/569854871.db2.gz UEDLOGFLYIZUCG-SXGWCWSVSA-N -1 3 451.285 4.542 40 0 JJABHM COc1cc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc(Br)c1[O-] ZINC000106783169 569855780 /nfs/dbraw/zinc/85/57/80/569855780.db2.gz NLBAILBFOLBLJU-BOPFTXTBSA-N -1 3 464.337 4.587 40 0 JJABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000138896258 569866579 /nfs/dbraw/zinc/86/65/79/569866579.db2.gz IPPSRKGTQIMDNV-FDFHNCONSA-N -1 3 479.330 4.509 40 0 JJABHM COc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)c1 ZINC000216264021 569878037 /nfs/dbraw/zinc/87/80/37/569878037.db2.gz UMZUBXZWOGCYGN-OAHLLOKOSA-N -1 3 460.939 4.555 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(C)c(C)c3)cc2)cc1Cl ZINC000222734248 569889844 /nfs/dbraw/zinc/88/98/44/569889844.db2.gz OXIDKAOSVOGZKE-UHFFFAOYSA-N -1 3 488.993 4.808 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)NCc1cccc2ccccc21 ZINC000222796715 569891326 /nfs/dbraw/zinc/89/13/26/569891326.db2.gz WMSGQGDVPJNDTL-UHFFFAOYSA-N -1 3 460.555 4.644 40 0 JJABHM Cc1ccc(C)c([C@@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)c1 ZINC000223044376 569897627 /nfs/dbraw/zinc/89/76/27/569897627.db2.gz LRTQYWUWILRIKY-GFCCVEGCSA-N -1 3 485.418 4.754 40 0 JJABHM Cc1cccc([C@H]([N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)c2ccccc2)c1 ZINC000223247450 569904795 /nfs/dbraw/zinc/90/47/95/569904795.db2.gz WLJSFXMNKHETEE-HXUWFJFHSA-N -1 3 499.017 4.820 40 0 JJABHM CN(C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])cc1 ZINC000224611543 569950683 /nfs/dbraw/zinc/95/06/83/569950683.db2.gz ZBYJQPCSAKANOX-LOSJGSFVSA-N -1 3 455.587 4.821 40 0 JJABHM CSc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000224921778 569963469 /nfs/dbraw/zinc/96/34/69/569963469.db2.gz BZRRPAAVSVIWJJ-UHFFFAOYSA-N -1 3 473.664 4.682 40 0 JJABHM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(N4CCCC4)cc3)ccc2n1Cc1ccccc1 ZINC000224939490 569964147 /nfs/dbraw/zinc/96/41/47/569964147.db2.gz IWBKHIRANXJJSV-UHFFFAOYSA-N -1 3 465.600 4.512 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1Cl ZINC000408593924 569965219 /nfs/dbraw/zinc/96/52/19/569965219.db2.gz QQIQMXPHITUHTI-KRWDZBQOSA-N -1 3 458.967 4.705 40 0 JJABHM Cc1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000408594961 569965885 /nfs/dbraw/zinc/96/58/85/569965885.db2.gz QBZIDQCNWAMTIO-FQEVSTJZSA-N -1 3 463.386 4.830 40 0 JJABHM Cc1ccccc1[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccccc1 ZINC000224992365 569967721 /nfs/dbraw/zinc/96/77/21/569967721.db2.gz SABYGCGJQDFPCX-FQEVSTJZSA-N -1 3 499.017 4.820 40 0 JJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1C(=O)N1CCCC1 ZINC000408600749 569968599 /nfs/dbraw/zinc/96/85/99/569968599.db2.gz CEORZCRAEWXBFJ-UHFFFAOYSA-N -1 3 450.560 4.611 40 0 JJABHM O=C(Nc1ccc(F)cc1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408600636 569968673 /nfs/dbraw/zinc/96/86/73/569968673.db2.gz BMVYLYTVNKVRMA-LJQANCHMSA-N -1 3 467.349 4.661 40 0 JJABHM COc1ccccc1NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408601780 569969246 /nfs/dbraw/zinc/96/92/46/569969246.db2.gz HFRZDQFIZASYHP-LJQANCHMSA-N -1 3 479.385 4.530 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3F)cc2)cc1Cl ZINC000408606887 569971323 /nfs/dbraw/zinc/97/13/23/569971323.db2.gz PGHYRHYEJWXZHI-UHFFFAOYSA-N -1 3 466.893 4.745 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(F)c3)c(Cl)c2)cc1 ZINC000408635602 569985912 /nfs/dbraw/zinc/98/59/12/569985912.db2.gz FSRRQSUTOJIBKI-UHFFFAOYSA-N -1 3 478.929 4.696 40 0 JJABHM CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1Cl ZINC000408637100 569987153 /nfs/dbraw/zinc/98/71/53/569987153.db2.gz XRGLFYJBGDFUJN-UHFFFAOYSA-N -1 3 490.965 4.566 40 0 JJABHM CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1nnc([N-]C(=O)c2ccc(Cl)cc2Cl)s1 ZINC000225333042 569990856 /nfs/dbraw/zinc/99/08/56/569990856.db2.gz CSQNIHLDCQYSID-UHFFFAOYSA-N -1 3 491.809 4.571 40 0 JJABHM CCc1ccc(CC)c(C[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)c1 ZINC000225389602 569994575 /nfs/dbraw/zinc/99/45/75/569994575.db2.gz BMMPWPACUKLLTQ-UHFFFAOYSA-N -1 3 499.445 4.701 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3Cl)c(C)c2)cc1 ZINC000408674789 570009579 /nfs/dbraw/zinc/00/95/79/570009579.db2.gz HRUKONKRUCCRSK-UHFFFAOYSA-N -1 3 474.966 4.865 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)cc3)c(C)c2)cc1 ZINC000408674871 570009724 /nfs/dbraw/zinc/00/97/24/570009724.db2.gz LGDARIICZFLVOX-UHFFFAOYSA-N -1 3 454.548 4.520 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(SC)c3)c(C)c2)cc1 ZINC000408675027 570009835 /nfs/dbraw/zinc/00/98/35/570009835.db2.gz PEARVPLLYCEBBG-UHFFFAOYSA-N -1 3 472.588 4.544 40 0 JJABHM CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C)cc1 ZINC000408675064 570009895 /nfs/dbraw/zinc/00/98/95/570009895.db2.gz GFBOEIBASMMAMK-UHFFFAOYSA-N -1 3 474.966 4.865 40 0 JJABHM CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2C)c1 ZINC000408675087 570009954 /nfs/dbraw/zinc/00/99/54/570009954.db2.gz RBYQAHPJQZYRET-UHFFFAOYSA-N -1 3 466.559 4.633 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3C)c(C)c2)cc1 ZINC000408675430 570010298 /nfs/dbraw/zinc/01/02/98/570010298.db2.gz YPTHTUPQAQDRFO-UHFFFAOYSA-N -1 3 474.966 4.784 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000408675935 570010528 /nfs/dbraw/zinc/01/05/28/570010528.db2.gz MCIJVPNVXDIAEM-UHFFFAOYSA-N -1 3 462.930 4.914 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)N[C@H](C)CCc1ccccc1 ZINC000408676975 570010861 /nfs/dbraw/zinc/01/08/61/570010861.db2.gz PDYFLVUQYZDNTF-LJQANCHMSA-N -1 3 487.021 4.966 40 0 JJABHM CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000408694176 570016804 /nfs/dbraw/zinc/01/68/04/570016804.db2.gz DQKMWQVTCAYYSA-UHFFFAOYSA-N -1 3 456.539 4.942 40 0 JJABHM CC(C)COc1ccc(NC(=O)C2([N-]S(=O)(=O)Cc3ccc(F)cc3F)CC2)c2ccccc12 ZINC000225928278 570028092 /nfs/dbraw/zinc/02/80/92/570028092.db2.gz AXZYTSLTAYBAJE-UHFFFAOYSA-N -1 3 488.556 4.744 40 0 JJABHM CCOc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc(I)c1[O-] ZINC000408773138 570039519 /nfs/dbraw/zinc/03/95/19/570039519.db2.gz STVWOGQMAYXKKV-ZZODWALSSA-N -1 3 496.370 4.558 40 0 JJABHM O=c1/c(=C\c2cc(Cl)ccc2[O-])sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408826145 570052438 /nfs/dbraw/zinc/05/24/38/570052438.db2.gz CCNPADSUMBEYTH-AQIZGWBQSA-N -1 3 488.971 4.817 40 0 JJABHM COc1ccc(CSCC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1 ZINC000408920996 570077187 /nfs/dbraw/zinc/07/71/87/570077187.db2.gz QMEQUFQJKFPBKM-UHFFFAOYSA-N -1 3 470.616 4.985 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)SCc3ccccc3)cc2)cc1 ZINC000408921052 570077238 /nfs/dbraw/zinc/07/72/38/570077238.db2.gz RHEZFLWAAAGDRL-KRWDZBQOSA-N -1 3 456.589 4.756 40 0 JJABHM COc1ccc(CSCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1 ZINC000408924062 570077993 /nfs/dbraw/zinc/07/79/93/570077993.db2.gz NGDHFTRSNYBSBX-UHFFFAOYSA-N -1 3 470.616 4.985 40 0 JJABHM COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)cc(I)c1O ZINC000408987972 570093041 /nfs/dbraw/zinc/09/30/41/570093041.db2.gz GNMPKWBFFXSIMI-UHFFFAOYSA-N -1 3 468.316 4.652 40 0 JJABHM CN1C(=O)C2(C[C@H]1Cc1ccccc1)CCN(Cc1cc(C(C)(C)C)ccc1OCC(=O)[O-])CC2 ZINC000257203230 570108876 /nfs/dbraw/zinc/10/88/76/570108876.db2.gz APDMWTPXHVMPKE-XMMPIXPASA-N -1 3 478.633 4.503 40 0 JJABHM CC(C)CN1C(=O)C2(C[C@H]1Cc1ccc(F)cc1)CCN(Cc1ccc(C(=O)[O-])cc1)CC2 ZINC000257256504 570125069 /nfs/dbraw/zinc/12/50/69/570125069.db2.gz KLSYMOUOJSOQTE-XMMPIXPASA-N -1 3 452.570 4.606 40 0 JJABHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)N(Cc1ccccc1)Cc1ccccc1 ZINC000409141689 570144949 /nfs/dbraw/zinc/14/49/49/570144949.db2.gz BKAKFQQMEPEOGG-UHFFFAOYSA-N -1 3 463.386 4.501 40 0 JJABHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc(Cl)c1[O-] ZINC000409150749 570148999 /nfs/dbraw/zinc/14/89/99/570148999.db2.gz DNZFNTKVCWBIHY-SXGWCWSVSA-N -1 3 467.330 4.773 40 0 JJABHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Nc1cc(C(F)(F)F)ccc1Cl ZINC000409172225 570155307 /nfs/dbraw/zinc/15/53/07/570155307.db2.gz DKSVNBWICFOQKT-UHFFFAOYSA-N -1 3 461.676 4.583 40 0 JJABHM O=c1[n-]c(SCc2ccccc2)n[n+]2c1-c1ccccc1N[C@H]2c1cc([O-])ccc1Br ZINC000261362241 570167574 /nfs/dbraw/zinc/16/75/74/570167574.db2.gz CKFKPALRWCXSQU-OAQYLSRUSA-O -1 3 494.394 4.870 40 0 JJABHM COc1cc([C@@H]2Nc3ccccc3-c3c(=O)[n-]c(SCc4ccccc4F)n[n+]32)cc(Cl)c1[O-] ZINC000261362335 570167606 /nfs/dbraw/zinc/16/76/06/570167606.db2.gz CYLBTQZXRMPJPU-JOCHJYFZSA-O -1 3 497.959 4.908 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)Nc1ccc(Br)cc1F ZINC000408526469 570185981 /nfs/dbraw/zinc/18/59/81/570185981.db2.gz BMXKHJSQQRAQRN-UHFFFAOYSA-N -1 3 497.317 4.546 40 0 JJABHM Cc1ccc(-n2c(SCC(=O)N3CCCC3)nnc2-c2cc(Br)ccc2[O-])c(C)c1 ZINC000408542932 570191948 /nfs/dbraw/zinc/19/19/48/570191948.db2.gz LTIXWAZWXRSVHH-UHFFFAOYSA-N -1 3 487.423 4.734 40 0 JJABHM Cc1cc(NC(=O)CSc2nc(-c3cc(Br)ccc3[O-])n[nH]2)ccc1Br ZINC000408544281 570192423 /nfs/dbraw/zinc/19/24/23/570192423.db2.gz DVJXHVQFBAQTLY-UHFFFAOYSA-N -1 3 498.200 4.742 40 0 JJABHM Cc1cc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3[O-])n2)ccc1Br ZINC000408544281 570192424 /nfs/dbraw/zinc/19/24/24/570192424.db2.gz DVJXHVQFBAQTLY-UHFFFAOYSA-N -1 3 498.200 4.742 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)NCCC1=CCCCC1 ZINC000408550172 570194883 /nfs/dbraw/zinc/19/48/83/570194883.db2.gz AVIUSYHAYWTREQ-UHFFFAOYSA-N -1 3 482.524 4.892 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)Nc1ccc(F)cc1 ZINC000408555342 570196857 /nfs/dbraw/zinc/19/68/57/570196857.db2.gz AKQCGNJZQZVPDV-UHFFFAOYSA-N -1 3 468.428 4.663 40 0 JJABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1C ZINC000408555990 570197114 /nfs/dbraw/zinc/19/71/14/570197114.db2.gz YMZPKLQHALASDN-UHFFFAOYSA-N -1 3 489.391 4.884 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(C)cc3)c2)cc1Cl ZINC000408558034 570198744 /nfs/dbraw/zinc/19/87/44/570198744.db2.gz HXPHGISHUFRKBQ-UHFFFAOYSA-N -1 3 460.939 4.719 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl)Nc1cccc(Cl)c1 ZINC000408560523 570200447 /nfs/dbraw/zinc/20/04/47/570200447.db2.gz DBVKMXDGLBZRNE-UHFFFAOYSA-N -1 3 469.321 4.951 40 0 JJABHM Cc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000408561371 570201041 /nfs/dbraw/zinc/20/10/41/570201041.db2.gz ILNMGOYJRBTYGQ-UHFFFAOYSA-N -1 3 462.930 4.914 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3C)c2)cc1Cl ZINC000408562055 570201509 /nfs/dbraw/zinc/20/15/09/570201509.db2.gz XLQYHOBABUOQCJ-UHFFFAOYSA-N -1 3 460.939 4.719 40 0 JJABHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000408582625 570207024 /nfs/dbraw/zinc/20/70/24/570207024.db2.gz DTOMVZMKQIXITF-HNNXBMFYSA-N -1 3 463.386 4.566 40 0 JJABHM CC(=O)c1cccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000408587273 570208337 /nfs/dbraw/zinc/20/83/37/570208337.db2.gz BINWKUQPVNAIFT-OAQYLSRUSA-N -1 3 491.396 4.724 40 0 JJABHM COc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000408591386 570209269 /nfs/dbraw/zinc/20/92/69/570209269.db2.gz LVBOCNOXHYBOBQ-UHFFFAOYSA-N -1 3 499.347 4.959 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)cc1 ZINC000408635904 195487174 /nfs/dbraw/zinc/48/71/74/195487174.db2.gz JITJYMBMEWDUAN-UHFFFAOYSA-N -1 3 478.929 4.696 40 0 JJABHM CCOc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc(Br)c1[O-] ZINC000409050986 195501176 /nfs/dbraw/zinc/50/11/76/195501176.db2.gz GAHVMRGROXWKND-BOPFTXTBSA-N -1 3 482.327 4.808 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3ccc(F)cc3)cc2)cc1 ZINC000020460576 521132633 /nfs/dbraw/zinc/13/26/33/521132633.db2.gz MLHLKSHATHTFEV-UHFFFAOYSA-N -1 3 474.579 4.897 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3CC)cc2)cc1 ZINC000020483447 521133222 /nfs/dbraw/zinc/13/32/22/521133222.db2.gz UHWJJRFTEJMICU-SFHVURJKSA-N -1 3 468.575 4.855 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](CC)Oc3ccccc3C)cc2)cc1 ZINC000013994829 521134389 /nfs/dbraw/zinc/13/43/89/521134389.db2.gz FSWILMPOLGULDN-QHCPKHFHSA-N -1 3 468.575 4.991 40 0 JJABHM COc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1OC ZINC000022510568 525143470 /nfs/dbraw/zinc/14/34/70/525143470.db2.gz VIBJXBNQRBPUDZ-MRXNPFEDSA-N -1 3 488.993 4.957 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000016293489 525300906 /nfs/dbraw/zinc/30/09/06/525300906.db2.gz OAQSQRDDHXWUTG-UHFFFAOYSA-N -1 3 464.465 4.832 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000016293370 525301694 /nfs/dbraw/zinc/30/16/94/525301694.db2.gz LSZYNLKTIXDHBK-UHFFFAOYSA-N -1 3 479.385 4.798 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)cc1 ZINC000016293441 525302241 /nfs/dbraw/zinc/30/22/41/525302241.db2.gz GUKBPYQCCREFJF-UHFFFAOYSA-N -1 3 475.364 4.576 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Br)cc3F)cc2)cc1 ZINC000016293481 525302790 /nfs/dbraw/zinc/30/27/90/525302790.db2.gz SGRFNNRYURLMPR-UHFFFAOYSA-N -1 3 493.354 4.715 40 0 JJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc2Cl)cc1 ZINC000020110244 525598497 /nfs/dbraw/zinc/59/84/97/525598497.db2.gz RIYRIZOJONZSGJ-UHFFFAOYSA-N -1 3 487.984 4.551 40 0 JJABHM [O-]C(c1ccccc1)=C1[C@H](c2cccc(Oc3ccccc3)c2)NC(=S)N[C@]1(O)C(F)(F)F ZINC000000946547 553879319 /nfs/dbraw/zinc/87/93/19/553879319.db2.gz QUSHGXPSJCXDML-ZRCGQRJVSA-N -1 3 472.488 4.748 40 0 JJABHM CCOc1ccc(N2C(=O)[C@@]3(C)C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000002349181 554160583 /nfs/dbraw/zinc/16/05/83/554160583.db2.gz TWPIELDCTJUEGR-CLCZQPDDSA-N -1 3 458.514 4.535 40 0 JJABHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(SC)cc2)cc1 ZINC000006142243 554508501 /nfs/dbraw/zinc/50/85/01/554508501.db2.gz NCVJUURNGMHNGL-SMIHKQSGSA-N -1 3 460.555 4.858 40 0 JJABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)c(OCC)c2)cc1 ZINC000009216482 554984801 /nfs/dbraw/zinc/98/48/01/554984801.db2.gz FRXKTFLXEFCHHX-CYXNTTPDSA-N -1 3 488.540 4.631 40 0 JJABHM O=c1cc(-c2cccc3ccccc32)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[n-]1 ZINC000013611784 555534415 /nfs/dbraw/zinc/53/44/15/555534415.db2.gz AIWPTGCAVNJCLP-UHFFFAOYSA-N -1 3 450.464 4.936 40 0 JJABHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccc5c(c4)OCO5)ccc3[O-])oc2c(C)c1 ZINC000010003892 555590819 /nfs/dbraw/zinc/59/08/19/555590819.db2.gz CCOPHDOVZRXGTC-UHFFFAOYSA-N -1 3 461.499 4.673 40 0 JJABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc5c(c4)OCO5)ccc3[O-])nc2c1 ZINC000010003745 555590898 /nfs/dbraw/zinc/59/08/98/555590898.db2.gz JIDJHMZBYDYGKX-UHFFFAOYSA-N -1 3 461.499 4.618 40 0 JJABHM COc1ccccc1[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000020021073 555598115 /nfs/dbraw/zinc/59/81/15/555598115.db2.gz TWEOMVHXHIKJSH-QGZVFWFLSA-N -1 3 488.993 4.714 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3F)c(C)c2)cc1 ZINC000020021623 555598784 /nfs/dbraw/zinc/59/87/84/555598784.db2.gz OTKKVTPXOMKWDX-UHFFFAOYSA-N -1 3 464.465 4.539 40 0 JJABHM CSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2C)cc1 ZINC000020022469 555599892 /nfs/dbraw/zinc/59/98/92/555599892.db2.gz CQBXTBIAVOTBSN-QGZVFWFLSA-N -1 3 488.606 4.913 40 0 JJABHM COc1ccccc1[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C ZINC000020022574 555600212 /nfs/dbraw/zinc/60/02/12/555600212.db2.gz OHKDCECJEOZTFV-FQEVSTJZSA-N -1 3 482.602 4.677 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H]3CCCc4ccccc43)c(C)c2)cc1 ZINC000020022524 555600284 /nfs/dbraw/zinc/60/02/84/555600284.db2.gz SYJMPBGLFBOISP-VWLOTQADSA-N -1 3 494.613 4.767 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H]3CCCc4ccccc43)c(C)c2)cc1 ZINC000020022521 555600315 /nfs/dbraw/zinc/60/03/15/555600315.db2.gz SYJMPBGLFBOISP-RUZDIDTESA-N -1 3 494.613 4.767 40 0 JJABHM CCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000013787587 555619796 /nfs/dbraw/zinc/61/97/96/555619796.db2.gz ROGZTUDBUVLFII-SDHOMARFSA-N -1 3 476.504 4.674 40 0 JJABHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Br)cc2)cc1 ZINC000013810673 555626108 /nfs/dbraw/zinc/62/61/08/555626108.db2.gz OXTBQFFIMWQXLJ-VJBWXMMDSA-N -1 3 493.357 4.899 40 0 JJABHM CCOC(=O)C1=C(C)N(c2ccccc2C)C(=O)N[C@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000013914188 555646093 /nfs/dbraw/zinc/64/60/93/555646093.db2.gz HSEVQWJPTLJURZ-IBGZPJMESA-N -1 3 475.339 4.580 40 0 JJABHM Cc1nccn1-c1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000020110460 555646674 /nfs/dbraw/zinc/64/66/74/555646674.db2.gz RVQJBHSZOBRAPT-UHFFFAOYSA-N -1 3 488.613 4.837 40 0 JJABHM COc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1 ZINC000014006299 555668256 /nfs/dbraw/zinc/66/82/56/555668256.db2.gz XYQUFXSBYPYEPP-SFHVURJKSA-N -1 3 454.548 4.519 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(C)c(C)c3)cc2)cc1 ZINC000020323526 555771648 /nfs/dbraw/zinc/77/16/48/555771648.db2.gz SZLQJIMKRAPSHV-IBGZPJMESA-N -1 3 468.575 4.909 40 0 JJABHM [O-]C(c1ccccc1)=C1[C@H](c2cccc(Oc3ccccc3)c2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000011691800 555800586 /nfs/dbraw/zinc/80/05/86/555800586.db2.gz QUSHGXPSJCXDML-QTEQDKRBSA-N -1 3 472.488 4.748 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3C(C)(C)C)cc2)cc1 ZINC000014666269 555837393 /nfs/dbraw/zinc/83/73/93/555837393.db2.gz FOHCCVPWIOVSLJ-UHFFFAOYSA-N -1 3 468.575 4.811 40 0 JJABHM COc1ccc(C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4o3)c2)c(OC)c1 ZINC000021595856 555853929 /nfs/dbraw/zinc/85/39/29/555853929.db2.gz LHSUXHFMYBZCFP-UHFFFAOYSA-N -1 3 463.515 4.653 40 0 JJABHM CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2)cc1OCC ZINC000015439218 555909207 /nfs/dbraw/zinc/90/92/07/555909207.db2.gz MIZGLRILSJYKCN-UHFFFAOYSA-N -1 3 470.547 4.546 40 0 JJABHM Cc1cccc(C(=O)N2CCC[C@H](c3nc4c(nnn4Cc4ccc(Cl)cc4Cl)c(=O)[n-]3)C2)c1 ZINC000013083674 556280776 /nfs/dbraw/zinc/28/07/76/556280776.db2.gz BZMBXVQKNGREPG-KRWDZBQOSA-N -1 3 497.386 4.610 40 0 JJABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018098388 556287357 /nfs/dbraw/zinc/28/73/57/556287357.db2.gz QZXIZLNPZVLRRS-ZNZIZOMTSA-N -1 3 450.494 4.900 40 0 JJABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2OC)cc1 ZINC000018120999 556290749 /nfs/dbraw/zinc/29/07/49/556290749.db2.gz QJBDARGNEBVBEL-SDHOMARFSA-N -1 3 458.514 4.535 40 0 JJABHM Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018154566 556295271 /nfs/dbraw/zinc/29/52/71/556295271.db2.gz FPNWRGDFUMDEGI-FKBYEOEOSA-N -1 3 463.331 4.809 40 0 JJABHM CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)c([O-])c(OC)c3)SC2=S)cc1 ZINC000028963782 556344804 /nfs/dbraw/zinc/34/48/04/556344804.db2.gz RCLRKCSTXGJWFR-MHWRWJLKSA-N -1 3 466.378 4.968 40 0 JJABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1Cl ZINC000030862009 556382172 /nfs/dbraw/zinc/38/21/72/556382172.db2.gz MJSFKQWMKJUKRT-UHFFFAOYSA-N -1 3 463.342 4.848 40 0 JJABHM COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1OC ZINC000030862850 556382600 /nfs/dbraw/zinc/38/26/00/556382600.db2.gz AYNMKOBTDQXQGP-UHFFFAOYSA-N -1 3 468.575 4.693 40 0 JJABHM CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 ZINC000030864947 556383252 /nfs/dbraw/zinc/38/32/52/556383252.db2.gz JWSYHWUAZSWDFX-UHFFFAOYSA-N -1 3 463.342 4.848 40 0 JJABHM COc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(C)cc(C)c4o3)c2)c(OC)c1 ZINC000057315659 569597137 /nfs/dbraw/zinc/59/71/37/569597137.db2.gz PGMLDKGBLSKQTL-UHFFFAOYSA-N -1 3 477.542 4.961 40 0 JJABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000033421797 569626087 /nfs/dbraw/zinc/62/60/87/569626087.db2.gz PZKHHZJRKCLEDK-UHFFFAOYSA-N -1 3 479.385 4.798 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000033825319 569635744 /nfs/dbraw/zinc/63/57/44/569635744.db2.gz HUYNPJWOVBQHKT-UHFFFAOYSA-N -1 3 481.357 4.820 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(Cl)cccc3Cl)cc2)cc1 ZINC000035327467 569680949 /nfs/dbraw/zinc/68/09/49/569680949.db2.gz GTNGPTJHBGGXJL-UHFFFAOYSA-N -1 3 481.357 4.820 40 0 JJABHM O=c1c2c(nc3cc([C@H]4CCCN(Cc5ccccc5F)C4)[n-]n31)CCN(Cc1ccccc1F)C2 ZINC000100493045 569762220 /nfs/dbraw/zinc/76/22/20/569762220.db2.gz XXVKMQPQNAZQFD-NRFANRHFSA-N -1 3 489.570 4.651 40 0 JJABHM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(C)cc1 ZINC000100766368 569769362 /nfs/dbraw/zinc/76/93/62/569769362.db2.gz FWQFECJWKWTCSZ-BDTNDASRSA-N -1 3 476.554 4.511 40 0 JJABHM COc1cccc([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4C)C([O-])=C3ON2c2ccccc2)c1OC ZINC000101025657 569780008 /nfs/dbraw/zinc/78/00/08/569780008.db2.gz FQBIEQVUWIYORW-FIXSFTCYSA-N -1 3 478.932 4.717 40 0 JJABHM COC(=O)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101028256 569780041 /nfs/dbraw/zinc/78/00/41/569780041.db2.gz LAPBPRQUNKXYNB-FKBYEOEOSA-N -1 3 497.334 4.831 40 0 JJABHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Br)cc2)cc1 ZINC000101224335 569787443 /nfs/dbraw/zinc/78/74/43/569787443.db2.gz OXTBQFFIMWQXLJ-ZRBLBEILSA-N -1 3 493.357 4.899 40 0 JJABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000101226245 569787538 /nfs/dbraw/zinc/78/75/38/569787538.db2.gz YRLAJCYNFMQPET-VABKMULXSA-N -1 3 493.357 4.817 40 0 JJABHM CC(=O)Nc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101226124 569787560 /nfs/dbraw/zinc/78/75/60/569787560.db2.gz YQRGJUQFSZDSIT-PVHODMMVSA-N -1 3 477.520 4.849 40 0 JJABHM O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)Nc1cccc(Cl)c1Cl ZINC000038178160 569799910 /nfs/dbraw/zinc/79/99/10/569799910.db2.gz QILYWKDCELYPGZ-UHFFFAOYSA-N -1 3 474.167 4.977 40 0 JJABHM O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)Nc1cccc(Cl)c1Cl ZINC000038178160 569799911 /nfs/dbraw/zinc/79/99/11/569799911.db2.gz QILYWKDCELYPGZ-UHFFFAOYSA-N -1 3 474.167 4.977 40 0 JJABHM Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cc(Br)ccc2[O-])n1C ZINC000038181044 569800260 /nfs/dbraw/zinc/80/02/60/569800260.db2.gz ZNXOIBJWKUUCHB-UHFFFAOYSA-N -1 3 467.776 4.643 40 0 JJABHM Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102705432 569816333 /nfs/dbraw/zinc/81/63/33/569816333.db2.gz FPNWRGDFUMDEGI-FDFHNCONSA-N -1 3 463.331 4.809 40 0 JJABHM CCOc1cc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000102751877 569820913 /nfs/dbraw/zinc/82/09/13/569820913.db2.gz CLFLKKAXZPKSEK-TZRRMPRUSA-N -1 3 478.932 4.804 40 0 JJABHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccc(F)c(Br)c1 ZINC000102760867 569822061 /nfs/dbraw/zinc/82/20/61/569822061.db2.gz BKCRHPMTXGBVNX-HKBOAZHASA-N -1 3 485.284 4.778 40 0 JJABHM COc1ccc(Br)cc1[C@H]1[C@H]2C(=O)N(c3ccccc3F)C([O-])=C2ON1c1ccccc1 ZINC000102761498 569822366 /nfs/dbraw/zinc/82/23/66/569822366.db2.gz MOLRWMHDRADDEH-BHIFYINESA-N -1 3 497.320 4.648 40 0 JJABHM O=C(Nc1ccccc1Sc1ccccc1)C1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21 ZINC000040399196 569826268 /nfs/dbraw/zinc/82/62/68/569826268.db2.gz DWXFNYMOHVNGAM-GOSISDBHSA-N -1 3 483.553 4.729 40 0 JJABHM O=C(Nc1cc(Cl)cc(Cl)c1)C1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000040399296 569826392 /nfs/dbraw/zinc/82/63/92/569826392.db2.gz KSTREMLLURNSKY-CQSZACIVSA-N -1 3 478.723 4.538 40 0 JJABHM O=C(Nc1cc(Cl)cc(Cl)c1)C1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000040399392 569826507 /nfs/dbraw/zinc/82/65/07/569826507.db2.gz GEAWZXIYSJGSAJ-CQSZACIVSA-N -1 3 478.723 4.538 40 0 JJABHM Cc1c(Cl)cccc1NC(=O)C1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400314 569827565 /nfs/dbraw/zinc/82/75/65/569827565.db2.gz IHEJAQMTHAFPIM-CYBMUJFWSA-N -1 3 491.857 4.559 40 0 JJABHM Cc1ccc(Cl)cc1NC(=O)C1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400308 569827673 /nfs/dbraw/zinc/82/76/73/569827673.db2.gz NEBADCDQRHFMJC-AWEZNQCLSA-N -1 3 491.857 4.559 40 0 JJABHM O=C(NCCSCc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000216306790 569878285 /nfs/dbraw/zinc/87/82/85/569878285.db2.gz UWOCUAOJTXACFX-UHFFFAOYSA-N -1 3 461.008 4.804 40 0 JJABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000216461440 569878954 /nfs/dbraw/zinc/87/89/54/569878954.db2.gz JOGCZTMYQHBXQX-UHFFFAOYSA-N -1 3 467.827 4.682 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3c4ccccc4C[C@H]3C)cc2)cc1Cl ZINC000222731738 569889784 /nfs/dbraw/zinc/88/97/84/569889784.db2.gz GGCQEXGAPQDNEQ-MRXNPFEDSA-N -1 3 486.977 4.506 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc4sncc4c3)c(C)c2)cc1 ZINC000222762663 569890525 /nfs/dbraw/zinc/89/05/25/569890525.db2.gz DQJBWTMOAXXWNP-UHFFFAOYSA-N -1 3 467.572 4.731 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)Nc1ccc2sncc2c1 ZINC000222803711 569891505 /nfs/dbraw/zinc/89/15/05/569891505.db2.gz XTLXELZPDSRCQR-UHFFFAOYSA-N -1 3 471.535 4.562 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3c4ccccc4C[C@H]3C)c(C)c2)cc1 ZINC000222806566 569891592 /nfs/dbraw/zinc/89/15/92/569891592.db2.gz SXTFZEIGQXDEHP-LJQANCHMSA-N -1 3 480.586 4.551 40 0 JJABHM COc1ccc(C(=O)N2CCc3ccc([N-]S(=O)(=O)c4c(C)cc(C)cc4C)cc32)cc1 ZINC000222974523 569895854 /nfs/dbraw/zinc/89/58/54/569895854.db2.gz NOPPNYLGAISBDI-UHFFFAOYSA-N -1 3 450.560 4.624 40 0 JJABHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1C ZINC000223167903 569901820 /nfs/dbraw/zinc/90/18/20/569901820.db2.gz WVSGGXVDZNIZKT-GFCCVEGCSA-N -1 3 485.418 4.754 40 0 JJABHM COc1ccc(S(=O)(=O)[N-]Cc2nc(-c3ccc(C(C)C)cc3)no2)c(Cl)c1Cl ZINC000223576925 569916655 /nfs/dbraw/zinc/91/66/55/569916655.db2.gz VTZOPQQGUAZBSF-UHFFFAOYSA-N -1 3 456.351 4.654 40 0 JJABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccccc1C ZINC000224178060 569935432 /nfs/dbraw/zinc/93/54/32/569935432.db2.gz DYWZLHFQMXWNCU-INIZCTEOSA-N -1 3 485.418 4.835 40 0 JJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCOc3ccccc3C)cc2Cl)cc1 ZINC000224410205 569943738 /nfs/dbraw/zinc/94/37/38/569943738.db2.gz ILMPUSCNRZJZFX-UHFFFAOYSA-N -1 3 458.967 4.566 40 0 JJABHM Cc1[nH]c(C)c([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1I ZINC000224592950 569949808 /nfs/dbraw/zinc/94/98/08/569949808.db2.gz OESXQZSHDJTHOR-RBUKOAKNSA-N -1 3 490.370 4.514 40 0 JJABHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1Cc1cccnc1 ZINC000224593716 569949880 /nfs/dbraw/zinc/94/98/80/569949880.db2.gz XENYVSPYJCLHGJ-LOSJGSFVSA-N -1 3 455.587 4.826 40 0 JJABHM COC(=O)c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1 ZINC000224623249 569951192 /nfs/dbraw/zinc/95/11/92/569951192.db2.gz LNXPDXXCECJWIK-DNQXCXABSA-N -1 3 470.554 4.542 40 0 JJABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccccn1 ZINC000224880076 569961551 /nfs/dbraw/zinc/96/15/51/569961551.db2.gz GNFBSUGEUJOFAB-GOTSBHOMSA-N -1 3 461.978 4.863 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2)cc1 ZINC000224986558 569967367 /nfs/dbraw/zinc/96/73/67/569967367.db2.gz CSBLIHPBJTUTKT-UHFFFAOYSA-N -1 3 474.966 4.946 40 0 JJABHM O=C(Nc1cccc(F)c1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408602806 569969671 /nfs/dbraw/zinc/96/96/71/569969671.db2.gz IZVQURNBLQFSJS-LJQANCHMSA-N -1 3 467.349 4.661 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCC3=CCCCC3)c(Cl)c2)cc1 ZINC000408617891 569976389 /nfs/dbraw/zinc/97/63/89/569976389.db2.gz DYIVKENRHOKPCG-UHFFFAOYSA-N -1 3 493.025 4.925 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3SC)c(Cl)c2)cc1 ZINC000408636468 569986738 /nfs/dbraw/zinc/98/67/38/569986738.db2.gz QSFFLELUTMVQDV-UHFFFAOYSA-N -1 3 493.006 4.889 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3)c(Cl)c2)cc1 ZINC000408636685 569986952 /nfs/dbraw/zinc/98/69/52/569986952.db2.gz SUTXGENWXCVAAC-UHFFFAOYSA-N -1 3 481.357 4.820 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccccc3)c(C)c2)cc1C ZINC000408674651 570009375 /nfs/dbraw/zinc/00/93/75/570009375.db2.gz DOGGKFUHYIHZEK-HXUWFJFHSA-N -1 3 452.576 4.669 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(SC)c3)c(C)c2)cc1 ZINC000408674853 570009474 /nfs/dbraw/zinc/00/94/74/570009474.db2.gz KFJGBEGVMCROSH-UHFFFAOYSA-N -1 3 486.615 4.934 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)NCc1ccc(Cl)cc1 ZINC000408674923 570009647 /nfs/dbraw/zinc/00/96/47/570009647.db2.gz FBBWYEVYHZMMHB-UHFFFAOYSA-N -1 3 479.385 4.798 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccccc3Cl)c(C)c2)cc1 ZINC000408675057 570009872 /nfs/dbraw/zinc/00/98/72/570009872.db2.gz QDKUZAFIVIGYSC-UHFFFAOYSA-N -1 3 488.993 4.543 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000408675130 570009984 /nfs/dbraw/zinc/00/99/84/570009984.db2.gz GRCWIAQPHIKLDB-UHFFFAOYSA-N -1 3 464.465 4.832 40 0 JJABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2C)cc1Cl ZINC000408675568 570010228 /nfs/dbraw/zinc/01/02/28/570010228.db2.gz IXCIGLWERBREAD-UHFFFAOYSA-N -1 3 478.929 4.614 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](CC)Oc3ccccc3OC)cc2)cc1 ZINC000408677464 570011027 /nfs/dbraw/zinc/01/10/27/570011027.db2.gz CZCGVFPZAZPGHP-QFIPXVFZSA-N -1 3 484.574 4.691 40 0 JJABHM CCCCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2C)cc1 ZINC000408678703 570011361 /nfs/dbraw/zinc/01/13/61/570011361.db2.gz USQDKWFYPVCKAR-UHFFFAOYSA-N -1 3 496.585 4.770 40 0 JJABHM CCc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1C ZINC000408680515 570012325 /nfs/dbraw/zinc/01/23/25/570012325.db2.gz ZPICHEGDCRZBAS-UHFFFAOYSA-N -1 3 468.575 4.693 40 0 JJABHM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(F)cc3F)ccc2n1Cc1ccc(Cl)cc1 ZINC000225785966 570021609 /nfs/dbraw/zinc/02/16/09/570021609.db2.gz COKHDTBBZAMNCF-UHFFFAOYSA-N -1 3 466.918 4.844 40 0 JJABHM COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1 ZINC000408706408 570025259 /nfs/dbraw/zinc/02/52/59/570025259.db2.gz NYBWDKHETDKAOA-UHFFFAOYSA-N -1 3 468.575 4.911 40 0 JJABHM Cc1ccc(C2=S=C([N-]C(=O)c3ccc(N(C)S(=O)(=O)c4ccc(Cl)cc4)cc3)N=N2)cc1 ZINC000408717950 570025957 /nfs/dbraw/zinc/02/59/57/570025957.db2.gz ITMROUUAUXMTSA-UHFFFAOYSA-N -1 3 499.017 4.668 40 0 JJABHM CC(C)Oc1ccc(NC(=O)C(C)(C)[N-]S(=O)(=O)Cc2ccccc2F)c2ccccc12 ZINC000225922758 570027847 /nfs/dbraw/zinc/02/78/47/570027847.db2.gz OJGLODQACFZBMQ-UHFFFAOYSA-N -1 3 458.555 4.603 40 0 JJABHM Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000226084459 570036604 /nfs/dbraw/zinc/03/66/04/570036604.db2.gz FGLQXFSKLKDDOV-UHFFFAOYSA-N -1 3 489.391 4.884 40 0 JJABHM O=c1/c(=C\c2cc(Cl)ccc2[O-])sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000408826150 570052458 /nfs/dbraw/zinc/05/24/58/570052458.db2.gz CCNPADSUMBEYTH-ZDGAQAAHSA-N -1 3 488.971 4.817 40 0 JJABHM COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc(Cl)c1[O-] ZINC000408870988 570059672 /nfs/dbraw/zinc/05/96/72/570059672.db2.gz WOEXKWBOOJDAOZ-CHHVJCJISA-N -1 3 486.855 4.748 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3cc(C)cc(C)c3)cc2)cc1 ZINC000408927212 570078728 /nfs/dbraw/zinc/07/87/28/570078728.db2.gz UCNTUXAPSSVSMS-UHFFFAOYSA-N -1 3 470.616 4.985 40 0 JJABHM Cc1ccc2c(c1)OC(C)(C)[C@@H]1C[C@H]3CN(Cc4ccccc4OCC(=O)[O-])CC[C@H]3O[C@@H]21 ZINC000257259774 570126330 /nfs/dbraw/zinc/12/63/30/570126330.db2.gz KZXFZHUFLJLPMX-RLCNXLTRSA-N -1 3 451.563 4.598 40 0 JJABHM COc1ccc2c(c1)[C@H]1OCC3(CCN(Cc4ccccc4OCC(=O)[O-])CC3)C[C@@H]1C(C)(C)O2 ZINC000257271533 570129972 /nfs/dbraw/zinc/12/99/72/570129972.db2.gz MYRONHWZRXELOU-BKMJKUGQSA-N -1 3 481.589 4.690 40 0 JJABHM COc1cccc2c1OC(C)(C)[C@@H]1C[C@H]3CN(Cc4cc(C)c(O)c(C(=O)[O-])c4)CC[C@H]3O[C@@H]21 ZINC000257296644 570137416 /nfs/dbraw/zinc/13/74/16/570137416.db2.gz RDSLNJRKWCWSGN-VDEVERMRSA-N -1 3 467.562 4.547 40 0 JJABHM O=C1[N-]C(=O)C(=Cc2cn(CCOc3ccccc3F)c3ccc(Br)cc23)S1 ZINC000409139037 570143723 /nfs/dbraw/zinc/14/37/23/570143723.db2.gz LPEQHNNGJWTTPT-NVMNQCDNSA-N -1 3 461.312 4.946 40 0 JJABHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)cc(Cl)c1[O-] ZINC000409171217 570154927 /nfs/dbraw/zinc/15/49/27/570154927.db2.gz ZKGAMWXVHCAAJH-MFOYZWKCSA-N -1 3 478.979 4.841 40 0 JJABHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000409174062 570156041 /nfs/dbraw/zinc/15/60/41/570156041.db2.gz RDOSZQSVUQNHEI-UHFFFAOYSA-N -1 3 461.676 4.583 40 0 JJABHM COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1[O-] ZINC000409177388 570157501 /nfs/dbraw/zinc/15/75/01/570157501.db2.gz DAWYZPNHYOCKQR-APSNUPSMSA-N -1 3 467.330 4.691 40 0 JJABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1 ZINC000408555382 570196852 /nfs/dbraw/zinc/19/68/52/570196852.db2.gz WXVMOGXNYMHLBP-UHFFFAOYSA-N -1 3 475.364 4.576 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)Nc1c(F)cccc1F ZINC000408559591 570199849 /nfs/dbraw/zinc/19/98/49/570199849.db2.gz MSNMPGUOKUMDOP-UHFFFAOYSA-N -1 3 486.418 4.802 40 0 JJABHM CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000408560028 570200104 /nfs/dbraw/zinc/20/01/04/570200104.db2.gz BOTLRDZHQPRKTA-UHFFFAOYSA-N -1 3 462.930 4.860 40 0 JJABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1NC(=O)c1ccc(C)cc1 ZINC000408560694 570200537 /nfs/dbraw/zinc/20/05/37/570200537.db2.gz PKJPJJGYKPKWKZ-UHFFFAOYSA-N -1 3 493.354 4.958 40 0 JJABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)CCc3ccccc3)cc2)c1 ZINC000408583739 570207361 /nfs/dbraw/zinc/20/73/61/570207361.db2.gz JLPOLHDSTMOXOM-OAQYLSRUSA-N -1 3 466.603 4.621 40 0 JJABHM C[C@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000408584892 570207763 /nfs/dbraw/zinc/20/77/63/570207763.db2.gz WGDRKSDOJVPUSY-GOSISDBHSA-N -1 3 472.994 4.657 40 0 JJABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)ccc1OC ZINC000408585345 570207897 /nfs/dbraw/zinc/20/78/97/570207897.db2.gz FGNLVHCLDILWHN-UHFFFAOYSA-N -1 3 452.838 4.737 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl)Nc1c(F)cccc1F ZINC000408592789 570209534 /nfs/dbraw/zinc/20/95/34/570209534.db2.gz ORLFSEALVRVKOY-UHFFFAOYSA-N -1 3 470.856 4.576 40 0 JJABHM CC(C)(c1ccccc1)c1ccc(OCC(=O)N2NC(C(F)(F)F)=C[C@@]2([O-])C(F)(F)F)cc1 ZINC000059192163 195394084 /nfs/dbraw/zinc/39/40/84/195394084.db2.gz JIXSPTSVVITQDL-HXUWFJFHSA-N -1 3 474.401 4.793 40 0 JJABHM CCCCc1nc(Cl)c(COC(C)=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000044135978 521309279 /nfs/dbraw/zinc/30/92/79/521309279.db2.gz HIUYRCVDCVFSBP-UHFFFAOYSA-N -1 3 464.957 4.838 40 0 in-vitro JJABHM CCCCc1nc(Cl)c(COC(C)=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000044135978 521309286 /nfs/dbraw/zinc/30/92/86/521309286.db2.gz HIUYRCVDCVFSBP-UHFFFAOYSA-N -1 3 464.957 4.838 40 0 in-vitro JJABHM COc1cc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)ccc1OC(C)C ZINC000020491545 522434278 /nfs/dbraw/zinc/43/42/78/522434278.db2.gz PAVNJYPOOLHADB-UHFFFAOYSA-N -1 3 488.993 4.867 40 0 JJABHM CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000020453052 523052413 /nfs/dbraw/zinc/05/24/13/523052413.db2.gz KJTLIMVBIPKWLB-HSZRJFAPSA-N -1 3 454.548 4.601 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cc(C)cc(C)c3C)cc2)cc1 ZINC000020491951 524691141 /nfs/dbraw/zinc/69/11/41/524691141.db2.gz FGJWFTQAQVUKPE-IBGZPJMESA-N -1 3 468.575 4.827 40 0 JJABHM COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)cc1 ZINC000016217221 524936548 /nfs/dbraw/zinc/93/65/48/524936548.db2.gz PPNQCMIPYXSAEC-UHFFFAOYSA-N -1 3 481.357 4.820 40 0 JJABHM COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1 ZINC000022527021 525102700 /nfs/dbraw/zinc/10/27/00/525102700.db2.gz GUWSJQIXRVFSAR-UHFFFAOYSA-N -1 3 456.589 4.844 40 0 JJABHM C[C@@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cccc(Br)c1 ZINC000020019928 525119103 /nfs/dbraw/zinc/11/91/03/525119103.db2.gz BAYCHHFVDLIWRV-MRXNPFEDSA-N -1 3 489.391 4.506 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3F)cc2)cc1C ZINC000020020019 525301241 /nfs/dbraw/zinc/30/12/41/525301241.db2.gz JWTKNQVIOUDAEF-UHFFFAOYSA-N -1 3 464.465 4.539 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(F)cc3)cc2)cc1Cl ZINC000022537088 525301289 /nfs/dbraw/zinc/30/12/89/525301289.db2.gz NUDSYYFKGGHQID-INIZCTEOSA-N -1 3 476.957 4.845 40 0 JJABHM COc1cccc(OC)c1C(=O)NC(=S)Nc1cc(C)c([O-])c(-c2nc3ccccc3o2)c1 ZINC000022572227 526215697 /nfs/dbraw/zinc/21/56/97/526215697.db2.gz COBCFYVQJAVLNL-UHFFFAOYSA-N -1 3 463.515 4.653 40 0 JJABHM Cc1ccc(C([O-])=C2[C@H](c3cccc(Oc4ccccc4)c3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000016183309 526241193 /nfs/dbraw/zinc/24/11/93/526241193.db2.gz BQDRPRMARQFALJ-DPLHUUCSSA-N -1 3 470.447 4.891 40 0 JJABHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)OC(c1ccccc1)c1ccccc1 ZINC000016477820 526885073 /nfs/dbraw/zinc/88/50/73/526885073.db2.gz QKRBGYAQIUARRB-UHFFFAOYSA-N -1 3 450.343 4.605 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1c(Cl)cccc1Cl ZINC000016490376 526967776 /nfs/dbraw/zinc/96/77/76/526967776.db2.gz XPPGICIIQXGPTD-UHFFFAOYSA-N -1 3 451.331 4.812 40 0 JJABHM COc1ccccc1-n1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccccc1[O-] ZINC000000915877 553846207 /nfs/dbraw/zinc/84/62/07/553846207.db2.gz LJQMSDUMBJPQGY-UHFFFAOYSA-N -1 3 460.559 4.996 40 0 JJABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000006142248 554508525 /nfs/dbraw/zinc/50/85/25/554508525.db2.gz FRWUBWTWOBDLHQ-BDTNDASRSA-N -1 3 452.869 4.539 40 0 JJABHM Cc1ccc(-n2c(SCC(=O)Nc3nnc(C(F)(F)F)s3)nnc2-c2ccccc2[O-])cc1 ZINC000006280207 554524544 /nfs/dbraw/zinc/52/45/44/554524544.db2.gz ABKNWPGYBBFRQN-UHFFFAOYSA-N -1 3 492.508 4.549 40 0 JJABHM COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4ccccc4o3)c2)c(F)c1F ZINC000008833248 554730432 /nfs/dbraw/zinc/73/04/32/554730432.db2.gz NEHMWTLZLMSTOX-UHFFFAOYSA-N -1 3 491.422 4.892 40 0 JJABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc5c(c4)OCCO5)ccc3[O-])nc2c1 ZINC000008835212 554733745 /nfs/dbraw/zinc/73/37/45/554733745.db2.gz DAJCSQBRSKDMHX-UHFFFAOYSA-N -1 3 475.526 4.661 40 0 JJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000009063236 554880961 /nfs/dbraw/zinc/88/09/61/554880961.db2.gz WMJTTWLYWZKHTI-UHFFFAOYSA-N -1 3 484.021 4.992 40 0 JJABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(Br)c2)cc1 ZINC000009462492 555231510 /nfs/dbraw/zinc/23/15/10/555231510.db2.gz WYVWBPPALSLZKV-VSKRKVRLSA-N -1 3 479.330 4.509 40 0 JJABHM Cc1cccc(C)c1NS(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(Cl)cc2)cc1 ZINC000009694968 555424711 /nfs/dbraw/zinc/42/47/11/555424711.db2.gz ZOOPBEKCFNRHGN-UHFFFAOYSA-N -1 3 464.996 4.700 40 0 JJABHM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccc(Cl)cc3)cc2)cc1C ZINC000009694969 555424833 /nfs/dbraw/zinc/42/48/33/555424833.db2.gz XTUNXFGYPBYNEZ-UHFFFAOYSA-N -1 3 464.996 4.700 40 0 JJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1cccc(Cl)c1C ZINC000020009628 555585312 /nfs/dbraw/zinc/58/53/12/555585312.db2.gz ODPCNVYPYNVEFG-HXUWFJFHSA-N -1 3 493.412 4.839 40 0 JJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1C ZINC000020009631 555585332 /nfs/dbraw/zinc/58/53/32/555585332.db2.gz UXTBRZLJDUUJEL-FQEVSTJZSA-N -1 3 493.412 4.839 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(Cl)cc3)cc2)cc1 ZINC000020019822 555595857 /nfs/dbraw/zinc/59/58/57/555595857.db2.gz SSYOKWRCDFEFMK-KRWDZBQOSA-N -1 3 458.967 4.705 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(Cl)cc3)cc2)cc1 ZINC000020019819 555595893 /nfs/dbraw/zinc/59/58/93/555595893.db2.gz SSYOKWRCDFEFMK-QGZVFWFLSA-N -1 3 458.967 4.705 40 0 JJABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000020020037 555596249 /nfs/dbraw/zinc/59/62/49/555596249.db2.gz UITJHRGPAQBTSW-QGZVFWFLSA-N -1 3 458.967 4.705 40 0 JJABHM CSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1 ZINC000020020087 555596557 /nfs/dbraw/zinc/59/65/57/555596557.db2.gz CYWONTMNRSUZIS-SFHVURJKSA-N -1 3 470.616 4.774 40 0 JJABHM CSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1 ZINC000020020084 555596631 /nfs/dbraw/zinc/59/66/31/555596631.db2.gz CYWONTMNRSUZIS-GOSISDBHSA-N -1 3 470.616 4.774 40 0 JJABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3F)cc2)c1 ZINC000020020318 555596847 /nfs/dbraw/zinc/59/68/47/555596847.db2.gz CMULTYXHVWEGAE-UHFFFAOYSA-N -1 3 464.465 4.539 40 0 JJABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H]3CCCc4ccccc43)cc2)c1 ZINC000020020290 555596991 /nfs/dbraw/zinc/59/69/91/555596991.db2.gz NKLQAEJUFHEECR-RUZDIDTESA-N -1 3 464.587 4.677 40 0 JJABHM Cc1ccc(F)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000020020939 555597794 /nfs/dbraw/zinc/59/77/94/555597794.db2.gz XIQBVVCYAZLCAS-UHFFFAOYSA-N -1 3 482.455 4.971 40 0 JJABHM Cc1ccc(F)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C ZINC000020022418 555600025 /nfs/dbraw/zinc/60/00/25/555600025.db2.gz ZXCASUALDLMYBU-UHFFFAOYSA-N -1 3 462.930 4.914 40 0 JJABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(F)(F)F)cc2)cc1 ZINC000013804688 555623013 /nfs/dbraw/zinc/62/30/13/555623013.db2.gz BGTOLEVKKWBDTR-FKBYEOEOSA-N -1 3 468.431 4.945 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cc(C)cc(C)c3)cc2)cc1 ZINC000013981477 555666542 /nfs/dbraw/zinc/66/65/42/555666542.db2.gz GJRXXRBJQQXJAU-UHFFFAOYSA-N -1 3 454.548 4.520 40 0 JJABHM CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000013994419 555667952 /nfs/dbraw/zinc/66/79/52/555667952.db2.gz NRRXCJLBWCPJFY-JOCHJYFZSA-N -1 3 454.548 4.601 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3C)cc2)cc1 ZINC000013993754 555668013 /nfs/dbraw/zinc/66/80/13/555668013.db2.gz UHQVAMHZSLLVTN-SFHVURJKSA-N -1 3 454.548 4.601 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(C)c(C)c3)cc2)cc1 ZINC000013992411 555668025 /nfs/dbraw/zinc/66/80/25/555668025.db2.gz WUFPSVDNQBJQMW-UHFFFAOYSA-N -1 3 454.548 4.520 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cc(C)cc(C)c3)cc2)cc1 ZINC000020323739 555772041 /nfs/dbraw/zinc/77/20/41/555772041.db2.gz HBNHFBYXWDHFLS-IBGZPJMESA-N -1 3 468.575 4.909 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(C)cc3C)cc2)cc1 ZINC000020338773 555777629 /nfs/dbraw/zinc/77/76/29/555777629.db2.gz WJAAWQNJGFTJGP-IBGZPJMESA-N -1 3 468.575 4.909 40 0 JJABHM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1C(=O)N1CCC(C)CC1 ZINC000014396141 555801968 /nfs/dbraw/zinc/80/19/68/555801968.db2.gz QFQLVFQSVJINEJ-UHFFFAOYSA-N -1 3 457.379 4.675 40 0 JJABHM COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1 ZINC000014397285 555802975 /nfs/dbraw/zinc/80/29/75/555802975.db2.gz KMDXCOZCQASLLG-UHFFFAOYSA-N -1 3 468.575 4.911 40 0 JJABHM CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000014398344 555804150 /nfs/dbraw/zinc/80/41/50/555804150.db2.gz DNMAVSQKUCAMOK-DEOSSOPVSA-N -1 3 468.575 4.909 40 0 JJABHM CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000014399205 555804920 /nfs/dbraw/zinc/80/49/20/555804920.db2.gz ASERLXIWHDWGOC-HSZRJFAPSA-N -1 3 468.575 4.909 40 0 JJABHM CCOC(=O)c1c(C)c(C(=O)CC)sc1[N-]C(=O)c1cc(-c2cc(OC)ccc2OC)on1 ZINC000020572808 555824574 /nfs/dbraw/zinc/82/45/74/555824574.db2.gz MQYJJAUXYUCCOC-UHFFFAOYSA-N -1 3 472.519 4.750 40 0 JJABHM O=C(CN1C(=O)S/C(=C\c2cc(Cl)ccc2[O-])C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000015049628 555866478 /nfs/dbraw/zinc/86/64/78/555866478.db2.gz RGQBCZWHGRVVMW-CHHVJCJISA-N -1 3 456.829 4.739 40 0 JJABHM COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c1 ZINC000022524077 555931215 /nfs/dbraw/zinc/93/12/15/555931215.db2.gz SECVPZBSZHBMOZ-SFHVURJKSA-N -1 3 454.548 4.519 40 0 JJABHM CSc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1C(=O)N1CCCCC1 ZINC000026116602 556246633 /nfs/dbraw/zinc/24/66/33/556246633.db2.gz QFTQOJYUAWZCGS-UHFFFAOYSA-N -1 3 487.416 4.737 40 0 JJABHM CSc1ccc(S(=O)(=O)[N-]c2ccccc2Br)cc1C(=O)N1CCC(C)CC1 ZINC000026118337 556247642 /nfs/dbraw/zinc/24/76/42/556247642.db2.gz VNTPPCRBRAADFA-UHFFFAOYSA-N -1 3 483.453 4.844 40 0 JJABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000018022631 556277639 /nfs/dbraw/zinc/27/76/39/556277639.db2.gz FRWUBWTWOBDLHQ-FKBYEOEOSA-N -1 3 452.869 4.539 40 0 JJABHM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccc(Cl)cc1)[C@H]2c1ccccc1 ZINC000018031347 556278019 /nfs/dbraw/zinc/27/80/19/556278019.db2.gz QRLPNUQHXAAXTP-ACRUOGEOSA-N -1 3 496.972 4.856 40 0 JJABHM Cc1ccccc1C(=O)N1CCC[C@H](c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[n-]2)C1 ZINC000013083621 556280473 /nfs/dbraw/zinc/28/04/73/556280473.db2.gz VUTOFFNUQQCJLF-HNNXBMFYSA-N -1 3 497.386 4.610 40 0 JJABHM CCCCCC(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3ccc(Cl)cc3Cl)c(=O)[n-]2)C1 ZINC000013083656 556280843 /nfs/dbraw/zinc/28/08/43/556280843.db2.gz WIKRMUGYJCTMKZ-OAHLLOKOSA-N -1 3 477.396 4.568 40 0 JJABHM CC(=O)Nc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018067007 556282719 /nfs/dbraw/zinc/28/27/19/556282719.db2.gz YQRGJUQFSZDSIT-QKDODKLFSA-N -1 3 477.520 4.849 40 0 JJABHM COc1cccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)c1 ZINC000018096634 556286892 /nfs/dbraw/zinc/28/68/92/556286892.db2.gz ODNYNGYVSPLJMG-GSDHBNRESA-N -1 3 450.494 4.900 40 0 JJABHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000018212022 556311182 /nfs/dbraw/zinc/31/11/82/556311182.db2.gz LWPNXNWVCGBEOG-FKBYEOEOSA-N -1 3 476.554 4.593 40 0 JJABHM COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1 ZINC000030858706 556380894 /nfs/dbraw/zinc/38/08/94/556380894.db2.gz RNCQTAWKVRUEQE-UHFFFAOYSA-N -1 3 462.980 4.880 40 0 JJABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3Br)cc2)c1 ZINC000033482991 569626932 /nfs/dbraw/zinc/62/69/32/569626932.db2.gz GPEQSFADMULHME-UHFFFAOYSA-N -1 3 475.364 4.576 40 0 JJABHM CCc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1 ZINC000033692619 569630889 /nfs/dbraw/zinc/63/08/89/569630889.db2.gz OCIPPXJJEUJIJX-UHFFFAOYSA-N -1 3 452.576 4.993 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1Cl ZINC000033692914 569630910 /nfs/dbraw/zinc/63/09/10/569630910.db2.gz USPFGMYTCYDTKO-UHFFFAOYSA-N -1 3 474.966 4.784 40 0 JJABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2cccc(Br)c2)cc1 ZINC000033721568 569632015 /nfs/dbraw/zinc/63/20/15/569632015.db2.gz USCDXWISUFXZLE-UHFFFAOYSA-N -1 3 475.364 4.576 40 0 JJABHM CCS(=O)(=O)[N-]c1ccc(-c2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)o2)cc1 ZINC000034791452 569660344 /nfs/dbraw/zinc/66/03/44/569660344.db2.gz SXEANOQODRJUKD-UHFFFAOYSA-N -1 3 494.598 4.955 40 0 JJABHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(C)cc1 ZINC000100766346 569769218 /nfs/dbraw/zinc/76/92/18/569769218.db2.gz NYMXESZBJXQADW-VABKMULXSA-N -1 3 490.581 4.901 40 0 JJABHM COc1cc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000101096880 569782469 /nfs/dbraw/zinc/78/24/69/569782469.db2.gz BWJOUYSEFHXRDJ-ZNZIZOMTSA-N -1 3 466.493 4.605 40 0 JJABHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(SC)cc1 ZINC000101212721 569787147 /nfs/dbraw/zinc/78/71/47/569787147.db2.gz MCDHGROHRRBXPD-SMIHKQSGSA-N -1 3 460.555 4.858 40 0 JJABHM Cc1ccc(NC(=O)CSc2nc(-c3cc(Br)ccc3[O-])n[nH]2)cc1Cl ZINC000038166379 569799821 /nfs/dbraw/zinc/79/98/21/569799821.db2.gz DUAQOVRFORVCNA-UHFFFAOYSA-N -1 3 453.749 4.632 40 0 JJABHM Cc1ccc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3[O-])n2)cc1Cl ZINC000038166379 569799823 /nfs/dbraw/zinc/79/98/23/569799823.db2.gz DUAQOVRFORVCNA-UHFFFAOYSA-N -1 3 453.749 4.632 40 0 JJABHM O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)Nc1cc(Cl)ccc1Cl ZINC000038172836 569800031 /nfs/dbraw/zinc/80/00/31/569800031.db2.gz MGHQVJKHKMWSCB-UHFFFAOYSA-N -1 3 474.167 4.977 40 0 JJABHM O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)Nc1cc(Cl)ccc1Cl ZINC000038172836 569800033 /nfs/dbraw/zinc/80/00/33/569800033.db2.gz MGHQVJKHKMWSCB-UHFFFAOYSA-N -1 3 474.167 4.977 40 0 JJABHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc(C)c(C)c2)N3)N1 ZINC000102654001 569815139 /nfs/dbraw/zinc/81/51/39/569815139.db2.gz DZPFFNRILRVXFC-GMBSWORKSA-N -1 3 489.420 4.633 40 0 JJABHM COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000102726162 569817692 /nfs/dbraw/zinc/81/76/92/569817692.db2.gz FXRVZIUSXVMWPB-FDFHNCONSA-N -1 3 485.323 4.759 40 0 JJABHM COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000102730497 569818145 /nfs/dbraw/zinc/81/81/45/569818145.db2.gz YWWIZTJUVAVILE-BHIFYINESA-N -1 3 479.330 4.509 40 0 JJABHM O=C1[C@H]2C(=C([O-])N1c1ccccc1F)ON(c1ccccc1)[C@@H]2c1ccc(OC(F)(F)F)cc1 ZINC000102759773 569821772 /nfs/dbraw/zinc/82/17/72/569821772.db2.gz GKUKRAQJHRKUNW-NJYVYQBISA-N -1 3 472.394 4.775 40 0 JJABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccc(F)c(Br)c1 ZINC000102760864 569821966 /nfs/dbraw/zinc/82/19/66/569821966.db2.gz BKCRHPMTXGBVNX-ACRUOGEOSA-N -1 3 485.284 4.778 40 0 JJABHM O=C(Nc1ccc(Cl)cc1Cl)C1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000040399291 569826446 /nfs/dbraw/zinc/82/64/46/569826446.db2.gz IMPSZNPKZWSFHE-LBPRGKRZSA-N -1 3 478.723 4.538 40 0 JJABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(Cl)cc4Cl)[n-]c(=O)c32)c(Cl)c1 ZINC000040399581 569826803 /nfs/dbraw/zinc/82/68/03/569826803.db2.gz OCOLKMQLSWQUOI-NSHDSACASA-N -1 3 492.750 4.847 40 0 JJABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)c1 ZINC000107762161 569857265 /nfs/dbraw/zinc/85/72/65/569857265.db2.gz GMFGNBOQEGWSOF-UHFFFAOYSA-N -1 3 464.465 4.832 40 0 JJABHM COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)cc1 ZINC000216381945 569878634 /nfs/dbraw/zinc/87/86/34/569878634.db2.gz TWNPJIVCRVFQCU-UHFFFAOYSA-N -1 3 465.358 4.984 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3cccc4ccccc43)cc2)cc1C ZINC000222679850 569888329 /nfs/dbraw/zinc/88/83/29/569888329.db2.gz FPZNYDWDOVBKEZ-UHFFFAOYSA-N -1 3 474.582 4.953 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)Nc1ccc2sncc2c1 ZINC000222700945 569888924 /nfs/dbraw/zinc/88/89/24/569888924.db2.gz KAHUOIRHCCUEFY-UHFFFAOYSA-N -1 3 473.963 4.768 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3c4ccccc4C[C@H]3C)cc2)cc1Cl ZINC000222738450 569889938 /nfs/dbraw/zinc/88/99/38/569889938.db2.gz MMWXXGFIKONZIL-QGZVFWFLSA-N -1 3 470.978 4.806 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)N1c2ccccc2C[C@@H]1C ZINC000222799707 569891355 /nfs/dbraw/zinc/89/13/55/569891355.db2.gz UNRHLVOGIZTTNB-KRWDZBQOSA-N -1 3 470.978 4.806 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3c4ccccc4C[C@@H]3C)c(C)c2)cc1C ZINC000222809928 569891695 /nfs/dbraw/zinc/89/16/95/569891695.db2.gz HNSGODLFIRXYRP-FQEVSTJZSA-N -1 3 464.587 4.769 40 0 JJABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCSCc1ccc(Cl)c(Cl)c1 ZINC000222854801 569892806 /nfs/dbraw/zinc/89/28/06/569892806.db2.gz ZWUNWMWHJFKMHN-UHFFFAOYSA-N -1 3 485.252 4.976 40 0 JJABHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000222974573 569895865 /nfs/dbraw/zinc/89/58/65/569895865.db2.gz IIQNDFSXTIEGKE-UHFFFAOYSA-N -1 3 480.355 4.654 40 0 JJABHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1C ZINC000223167954 569901859 /nfs/dbraw/zinc/90/18/59/569901859.db2.gz WVSGGXVDZNIZKT-LBPRGKRZSA-N -1 3 485.418 4.754 40 0 JJABHM C[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccc(C(C)(C)C)cc1 ZINC000223278985 569905962 /nfs/dbraw/zinc/90/59/62/569905962.db2.gz FYXLJECKXPQBRW-ZDUSSCGKSA-N -1 3 479.027 4.781 40 0 JJABHM Cc1ccc(-c2nnc([N-]C(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCCCC4)c3)s2)cc1 ZINC000223485183 569913003 /nfs/dbraw/zinc/91/30/03/569913003.db2.gz WGFQAKCAIIVQDO-UHFFFAOYSA-N -1 3 491.038 4.984 40 0 JJABHM COC(=O)c1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1[O-] ZINC000224623180 569951190 /nfs/dbraw/zinc/95/11/90/569951190.db2.gz UZARNWXPLNFEGJ-ZEQRLZLVSA-N -1 3 470.554 4.542 40 0 JJABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1ccccn1 ZINC000224880164 569961584 /nfs/dbraw/zinc/96/15/84/569961584.db2.gz GNFBSUGEUJOFAB-XZOQPEGZSA-N -1 3 461.978 4.863 40 0 JJABHM Cc1ccccc1[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccccc1 ZINC000224992402 569967816 /nfs/dbraw/zinc/96/78/16/569967816.db2.gz SABYGCGJQDFPCX-HXUWFJFHSA-N -1 3 499.017 4.820 40 0 JJABHM CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408602830 569969618 /nfs/dbraw/zinc/96/96/18/569969618.db2.gz JGONHIGICTYHJG-ZDUSSCGKSA-N -1 3 478.920 4.699 40 0 JJABHM COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000408611302 569972672 /nfs/dbraw/zinc/97/26/72/569972672.db2.gz WOFRPCQMXDLWKK-UHFFFAOYSA-N -1 3 474.966 4.784 40 0 JJABHM CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1 ZINC000408612917 569973136 /nfs/dbraw/zinc/97/31/36/569973136.db2.gz ZNTKNEUDYYYQLC-LJQANCHMSA-N -1 3 468.575 4.819 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 ZINC000408626242 569980533 /nfs/dbraw/zinc/98/05/33/569980533.db2.gz VGNCUEJLDWJDBV-UHFFFAOYSA-N -1 3 474.966 4.865 40 0 JJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000408626750 569980836 /nfs/dbraw/zinc/98/08/36/569980836.db2.gz WMLDPZIHECFGPI-HNNXBMFYSA-N -1 3 477.007 4.805 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(C)cc3)c(Cl)c2)cc1 ZINC000408626754 569980848 /nfs/dbraw/zinc/98/08/48/569980848.db2.gz WNJIBHPYHINEHT-UHFFFAOYSA-N -1 3 488.993 4.543 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)c(Cl)c2)cc1 ZINC000408636332 569986528 /nfs/dbraw/zinc/98/65/28/569986528.db2.gz OLNWFFKHXKHHSI-UHFFFAOYSA-N -1 3 474.966 4.784 40 0 JJABHM CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1C ZINC000408674684 570009360 /nfs/dbraw/zinc/00/93/60/570009360.db2.gz BFZHNOWPLZOQHI-UHFFFAOYSA-N -1 3 452.576 4.938 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C)c3)c(C)c2)cc1 ZINC000408675254 570010148 /nfs/dbraw/zinc/01/01/48/570010148.db2.gz UCYOOBAZTLJMPT-UHFFFAOYSA-N -1 3 454.548 4.520 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c(C)c2)cc1 ZINC000408675441 570010336 /nfs/dbraw/zinc/01/03/36/570010336.db2.gz YYHVDAZYRKRFQN-UHFFFAOYSA-N -1 3 478.929 4.614 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000408675895 570010459 /nfs/dbraw/zinc/01/04/59/570010459.db2.gz LQICIRZVAMEXIL-UHFFFAOYSA-N -1 3 475.364 4.576 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000408676926 570010719 /nfs/dbraw/zinc/01/07/19/570010719.db2.gz OVAQWJALOQSHSD-UHFFFAOYSA-N -1 3 464.465 4.832 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(C)cc3C)cc2)cc1 ZINC000408677116 570010829 /nfs/dbraw/zinc/01/08/29/570010829.db2.gz AMFUETFRMMXVEL-SFHVURJKSA-N -1 3 454.548 4.519 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)cc2)cc1 ZINC000408678131 570011249 /nfs/dbraw/zinc/01/12/49/570011249.db2.gz GCIJMKIYLIZULO-GOSISDBHSA-N -1 3 454.548 4.519 40 0 JJABHM CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000408680479 570012225 /nfs/dbraw/zinc/01/22/25/570012225.db2.gz MOPMJEMCMRWCHX-JOCHJYFZSA-N -1 3 468.575 4.909 40 0 JJABHM CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000408681022 570012444 /nfs/dbraw/zinc/01/24/44/570012444.db2.gz VUFTZYIOIBZENH-FQEVSTJZSA-N -1 3 474.966 4.946 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)cc1 ZINC000225797176 570022055 /nfs/dbraw/zinc/02/20/55/570022055.db2.gz ULSNCLDZAIBDCY-UHFFFAOYSA-N -1 3 460.964 4.574 40 0 JJABHM CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000408706173 570025084 /nfs/dbraw/zinc/02/50/84/570025084.db2.gz WPSMYMFGHLBQIB-JOCHJYFZSA-N -1 3 474.966 4.946 40 0 JJABHM CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000408706174 570025116 /nfs/dbraw/zinc/02/51/16/570025116.db2.gz WPSMYMFGHLBQIB-QFIPXVFZSA-N -1 3 474.966 4.946 40 0 JJABHM CC(C)COc1ccc(NC(=O)C(C)(C)[N-]S(=O)(=O)Cc2ccccc2F)c2ccccc12 ZINC000225922800 570027806 /nfs/dbraw/zinc/02/78/06/570027806.db2.gz YXRODASWDISEAB-UHFFFAOYSA-N -1 3 472.582 4.850 40 0 JJABHM Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4cccc(-c5nc(C)cc(=O)[n-]5)c4)ccc32)c1 ZINC000226092052 570037128 /nfs/dbraw/zinc/03/71/28/570037128.db2.gz WDEWYEYFIHMXKZ-UHFFFAOYSA-N -1 3 478.552 4.899 40 0 JJABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@@H]2C=Cc1ccccc1 ZINC000238900284 570047410 /nfs/dbraw/zinc/04/74/10/570047410.db2.gz IOHXZAQEYNFZBB-XPWALMASSA-N -1 3 475.342 4.841 40 0 JJABHM CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCN(Cc4ccc(-c5ccc(C(=O)[O-])c(O)c5)o4)[C@H]3C[C@H]21 ZINC000257283809 570133813 /nfs/dbraw/zinc/13/38/13/570133813.db2.gz OZYGQFVNUKXHSL-GRADPPADSA-N -1 3 491.540 4.948 40 0 JJABHM CCOc1cccc2c1OC(C)(C)[C@@H]1C[C@@H]3CN(Cc4cc(C)c(O)c(C(=O)[O-])c4)CC[C@H]3O[C@@H]21 ZINC000257310061 570141468 /nfs/dbraw/zinc/14/14/68/570141468.db2.gz UDNHLDHKTAXQHG-FMNIHWTGSA-N -1 3 481.589 4.937 40 0 JJABHM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc(Cl)c1[O-] ZINC000409228803 570176836 /nfs/dbraw/zinc/17/68/36/570176836.db2.gz FLNKWBJBJGJYCO-CXUHLZMHSA-N -1 3 467.330 4.773 40 0 JJABHM Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2cc(Br)ccc2[O-])n1C ZINC000408542573 570191861 /nfs/dbraw/zinc/19/18/61/570191861.db2.gz KEZWPVJRXUUCLN-UHFFFAOYSA-N -1 3 467.776 4.643 40 0 JJABHM O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)Nc1cc(Cl)cc(Cl)c1 ZINC000408544294 570192394 /nfs/dbraw/zinc/19/23/94/570192394.db2.gz VEABKCXYHFDUDV-UHFFFAOYSA-N -1 3 474.167 4.977 40 0 JJABHM O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)Nc1cc(Cl)cc(Cl)c1 ZINC000408544294 570192395 /nfs/dbraw/zinc/19/23/95/570192395.db2.gz VEABKCXYHFDUDV-UHFFFAOYSA-N -1 3 474.167 4.977 40 0 JJABHM Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c1 ZINC000408554941 570196639 /nfs/dbraw/zinc/19/66/39/570196639.db2.gz VTRLCWFOFWXSQK-UHFFFAOYSA-N -1 3 464.465 4.832 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)Nc1ccc(Cl)cc1 ZINC000408555383 570196820 /nfs/dbraw/zinc/19/68/20/570196820.db2.gz WXXOFDILCWISEZ-UHFFFAOYSA-N -1 3 495.782 4.921 40 0 JJABHM COc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c1 ZINC000408555631 570196977 /nfs/dbraw/zinc/19/69/77/570196977.db2.gz BGGREINJFBBVGM-UHFFFAOYSA-N -1 3 480.464 4.532 40 0 JJABHM COc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408558206 570198864 /nfs/dbraw/zinc/19/88/64/570198864.db2.gz ISJHTWYRZLVWEE-UHFFFAOYSA-N -1 3 480.464 4.532 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)Nc1ccc(F)cc1F ZINC000408560366 570200350 /nfs/dbraw/zinc/20/03/50/570200350.db2.gz OTNTWQIHZGCAEQ-UHFFFAOYSA-N -1 3 486.418 4.802 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl)NCCC1=CCCCC1 ZINC000408561327 570200935 /nfs/dbraw/zinc/20/09/35/570200935.db2.gz HUENFPHGJLXYGA-UHFFFAOYSA-N -1 3 466.962 4.665 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)NC1CCCCCCC1 ZINC000408582819 570207056 /nfs/dbraw/zinc/20/70/56/570207056.db2.gz FIDUDRMAXTVQEX-UHFFFAOYSA-N -1 3 495.439 4.858 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)CCc3ccccc3)c(C)c2)cc1 ZINC000408582907 570207143 /nfs/dbraw/zinc/20/71/43/570207143.db2.gz FVPQJALJZAJLAI-NRFANRHFSA-N -1 3 466.603 4.621 40 0 JJABHM C[C@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000408585508 570207959 /nfs/dbraw/zinc/20/79/59/570207959.db2.gz YTVKGTCNOLEXRN-QGZVFWFLSA-N -1 3 490.984 4.796 40 0 JJABHM C[C@H](NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000408592314 570209431 /nfs/dbraw/zinc/20/94/31/570209431.db2.gz JXQYGUYOSJURQM-KKSFZXQISA-N -1 3 477.413 4.760 40 0 JJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)[C@@H]1COc2ccccc2O1 ZINC000001105109 194025365 /nfs/dbraw/zinc/02/53/65/194025365.db2.gz LDXXPGIIAGWYBS-IBGZPJMESA-N -1 3 479.341 4.573 40 0 JJABHM Cc1cccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nnc2-c2ccccc2[O-])c1C ZINC000001328297 194088510 /nfs/dbraw/zinc/08/85/10/194088510.db2.gz LIRURMKYSNULPO-UHFFFAOYSA-N -1 3 474.542 4.716 40 0 JJABHM O=c1[n-]c(Sc2nc3ccccc3c(=O)n2-c2cccc(C(F)(F)F)c2)nc2ccccc21 ZINC000003020474 194208403 /nfs/dbraw/zinc/20/84/03/194208403.db2.gz MEOJPJOKYCASRQ-UHFFFAOYSA-N -1 3 466.444 4.792 40 0 JJABHM CC(C)(C)c1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(Cl)cc2)cc1 ZINC000004163749 194381984 /nfs/dbraw/zinc/38/19/84/194381984.db2.gz RCVLCXATELFIOA-FVJLSDCUSA-N -1 3 454.876 4.741 40 0 JJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(C(=O)c4cc5ccccc5o4)CC3)cc2)cc1 ZINC000021576237 195315061 /nfs/dbraw/zinc/31/50/61/195315061.db2.gz TZRKECCEFXSAEK-UHFFFAOYSA-N -1 3 475.570 4.504 40 0 JJABHM CC(C)(c1ccccc1)c1ccc(OCC(=O)N2NC(C(F)(F)F)=C[C@]2([O-])C(F)(F)F)cc1 ZINC000059192165 195394022 /nfs/dbraw/zinc/39/40/22/195394022.db2.gz JIXSPTSVVITQDL-FQEVSTJZSA-N -1 3 474.401 4.793 40 0 JJABHM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1C)[C@H]2c1ccccc1 ZINC000102862203 130334099 /nfs/dbraw/zinc/33/40/99/130334099.db2.gz QKMPHTDEXTYPHQ-FKBYEOEOSA-N -1 3 476.554 4.511 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3CC)cc2)cc1 ZINC000020483445 521132345 /nfs/dbraw/zinc/13/23/45/521132345.db2.gz UHWJJRFTEJMICU-GOSISDBHSA-N -1 3 468.575 4.855 40 0 JJABHM CCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000020495537 521514823 /nfs/dbraw/zinc/51/48/23/521514823.db2.gz IQSQFQHUFUWFPZ-UHFFFAOYSA-N -1 3 472.950 4.878 40 0 JJABHM COCCn1c(SCC(=O)N2c3ccccc3C[C@@H]2C)nnc1-c1cc2ccccc2cc1[O-] ZINC000012474710 522070752 /nfs/dbraw/zinc/07/07/52/522070752.db2.gz IEVUDKZPGIWMNJ-KRWDZBQOSA-N -1 3 474.586 4.520 40 0 JJABHM CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000020049745 522869704 /nfs/dbraw/zinc/86/97/04/522869704.db2.gz SLXIVGOSELDXOB-QHCPKHFHSA-N -1 3 468.575 4.909 40 0 JJABHM COc1ccc(-c2csc(NC(=S)[N-]C(=O)COc3ccccc3C)n2)cc1Br ZINC000016363013 523170847 /nfs/dbraw/zinc/17/08/47/523170847.db2.gz WNJXCLSBBCQAOT-UHFFFAOYSA-N -1 3 492.420 4.782 40 0 JJABHM Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2C)cc1C ZINC000022537340 524328956 /nfs/dbraw/zinc/32/89/56/524328956.db2.gz PBWPOBGRXYWOOZ-OAQYLSRUSA-N -1 3 466.603 4.977 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3ccc(F)cc3)cc2)cc1 ZINC000022527036 524692974 /nfs/dbraw/zinc/69/29/74/524692974.db2.gz RFTPIJOZPPDNCI-UHFFFAOYSA-N -1 3 460.552 4.507 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(-n4ccnc4)cc3)ccc2C)c(C)c1 ZINC000020494706 525295919 /nfs/dbraw/zinc/29/59/19/525295919.db2.gz QLYHHTIRVNDUIX-UHFFFAOYSA-N -1 3 474.586 4.528 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000016293447 525301577 /nfs/dbraw/zinc/30/15/77/525301577.db2.gz UOGAQQNCNZRZFF-UHFFFAOYSA-N -1 3 464.465 4.832 40 0 JJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSc3ccccc3)cc2Cl)cc1 ZINC000020488897 525599534 /nfs/dbraw/zinc/59/95/34/525599534.db2.gz KGDNASAURCLYDH-UHFFFAOYSA-N -1 3 461.008 4.971 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1cc(Cl)ccc1Cl ZINC000016490396 526967874 /nfs/dbraw/zinc/96/78/74/526967874.db2.gz OYDFASOLIINJHW-UHFFFAOYSA-N -1 3 451.331 4.812 40 0 JJABHM Cc1nccn1-c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1 ZINC000022524207 527371441 /nfs/dbraw/zinc/37/14/41/527371441.db2.gz CQYSRXSRBLTMOE-UHFFFAOYSA-N -1 3 488.613 4.837 40 0 JJABHM COc1ccc(-c2nnc([N-]C(=O)c3c(C)nn(-c4ccccc4)c3Cl)s2)cc1OC ZINC000000898025 553832815 /nfs/dbraw/zinc/83/28/15/553832815.db2.gz HPOCPMVREOJJAM-UHFFFAOYSA-N -1 3 455.927 4.622 40 0 JJABHM COc1ccccc1-n1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccccc1[O-] ZINC000000915878 553846226 /nfs/dbraw/zinc/84/62/26/553846226.db2.gz LPJFTGDCUZMEFE-UHFFFAOYSA-N -1 3 460.559 4.996 40 0 JJABHM COc1cc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4ccc(C)cc4o3)c2)cc(OC)c1OC ZINC000008835169 554733596 /nfs/dbraw/zinc/73/35/96/554733596.db2.gz PTSSCCVVTMASME-UHFFFAOYSA-N -1 3 493.541 4.661 40 0 JJABHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(Br)c2)cc1 ZINC000009109142 554897691 /nfs/dbraw/zinc/89/76/91/554897691.db2.gz PWHWIYMQADEYQQ-ZLNRFVROSA-N -1 3 493.357 4.899 40 0 JJABHM O=C(c1ccccc1)[C@H]1C(=C([O-])c2ccccn2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000009111564 554898995 /nfs/dbraw/zinc/89/89/95/554898995.db2.gz NHAQAWKNVZFSDC-RBUURGHLSA-N -1 3 497.554 4.938 40 0 JJABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(OC)c2)cc1 ZINC000009191498 554963709 /nfs/dbraw/zinc/96/37/09/554963709.db2.gz FTVXESHJNBLTRS-SDHOMARFSA-N -1 3 458.514 4.535 40 0 JJABHM O=C([O-])c1ccccc1[C@H]1[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)C2ON1c1ccccc1 ZINC000009210294 554979846 /nfs/dbraw/zinc/97/98/46/554979846.db2.gz CYGRNZCJXKWIRB-DSNGMDLFSA-N -1 3 464.477 4.589 40 0 JJABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)c(Br)c2)cc1 ZINC000009233829 555006888 /nfs/dbraw/zinc/00/68/88/555006888.db2.gz AGYOFJYQOBMALH-FSSWDIPSSA-N -1 3 481.321 4.948 40 0 JJABHM Cc1ccc(C)c(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccc(Cl)cc3)cc2)c1 ZINC000009694962 555424757 /nfs/dbraw/zinc/42/47/57/555424757.db2.gz FOJZDJVOVTZAFM-UHFFFAOYSA-N -1 3 464.996 4.700 40 0 JJABHM Cc1ccc(F)cc1NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000019931228 555548586 /nfs/dbraw/zinc/54/85/86/555548586.db2.gz ACPNVYHPTZBPEC-HXUWFJFHSA-N -1 3 481.376 4.969 40 0 JJABHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(CSc3ccccc3)cc2C)ccc1OC ZINC000013678861 555570097 /nfs/dbraw/zinc/57/00/97/555570097.db2.gz NXSSIPGYXGVWRV-UHFFFAOYSA-N -1 3 470.616 4.846 40 0 JJABHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)ccc1OC ZINC000013682397 555575946 /nfs/dbraw/zinc/57/59/46/555575946.db2.gz JOPSKMPMDSNGFU-UHFFFAOYSA-N -1 3 468.619 4.714 40 0 JJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1Cl ZINC000020009606 555585247 /nfs/dbraw/zinc/58/52/47/555585247.db2.gz IJLYSTWSVIYJTD-IBGZPJMESA-N -1 3 479.385 4.530 40 0 JJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000020009622 555585273 /nfs/dbraw/zinc/58/52/73/555585273.db2.gz FYSJJQUHSHININ-LJQANCHMSA-N -1 3 479.385 4.530 40 0 JJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1c(C)cc(C)cc1C ZINC000020009906 555585932 /nfs/dbraw/zinc/58/59/32/555585932.db2.gz YNHJJMSWNVBWKV-NRFANRHFSA-N -1 3 487.021 4.802 40 0 JJABHM CSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000020019862 555595898 /nfs/dbraw/zinc/59/58/98/555595898.db2.gz UOQVWIPXUJLJKB-GOSISDBHSA-N -1 3 470.616 4.774 40 0 JJABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000020020041 555596153 /nfs/dbraw/zinc/59/61/53/555596153.db2.gz UITJHRGPAQBTSW-KRWDZBQOSA-N -1 3 458.967 4.705 40 0 JJABHM C[C@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc(Cl)cc1 ZINC000020020663 555597597 /nfs/dbraw/zinc/59/75/97/555597597.db2.gz PIFNFDOUUGKPST-HNNXBMFYSA-N -1 3 462.930 4.536 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3C)cc2)cc1Cl ZINC000020020984 555598156 /nfs/dbraw/zinc/59/81/56/555598156.db2.gz ITSKUKDWUWWMCS-UHFFFAOYSA-N -1 3 478.929 4.614 40 0 JJABHM CSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2C)cc1 ZINC000020022472 555599907 /nfs/dbraw/zinc/59/99/07/555599907.db2.gz CQBXTBIAVOTBSN-KRWDZBQOSA-N -1 3 488.606 4.913 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3C)c(C)c2)cc1C ZINC000020022609 555600243 /nfs/dbraw/zinc/60/02/43/555600243.db2.gz LUSPOOCQTOQCDK-UHFFFAOYSA-N -1 3 456.539 4.878 40 0 JJABHM COc1ccc(Br)cc1[C@H]1[C@H]2C(=O)N(c3ccccc3C)C([O-])=C2ON1c1ccccc1 ZINC000013787540 555619709 /nfs/dbraw/zinc/61/97/09/555619709.db2.gz AIBHKCYLLCQTEJ-VJBWXMMDSA-N -1 3 493.357 4.817 40 0 JJABHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(SC)cc1 ZINC000013805800 555623368 /nfs/dbraw/zinc/62/33/68/555623368.db2.gz MCDHGROHRRBXPD-SGNDLWITSA-N -1 3 460.555 4.858 40 0 JJABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)cc1C(=O)N1CCCCCC1 ZINC000010112662 555626023 /nfs/dbraw/zinc/62/60/23/555626023.db2.gz LDGIXDZGIZQBNS-UHFFFAOYSA-N -1 3 472.607 4.834 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(C)c3C)cc2)cc1 ZINC000020108553 555643376 /nfs/dbraw/zinc/64/33/76/555643376.db2.gz BXHREPRGPBCVME-LJQANCHMSA-N -1 3 468.575 4.909 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](CC)Oc3ccc(F)cc3)cc2)cc1 ZINC000020112751 555650248 /nfs/dbraw/zinc/65/02/48/555650248.db2.gz ADMGCYAGUILWCJ-QHCPKHFHSA-N -1 3 472.538 4.821 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](CC)Oc3ccccc3C)cc2)cc1 ZINC000013994833 555667934 /nfs/dbraw/zinc/66/79/34/555667934.db2.gz FSWILMPOLGULDN-HSZRJFAPSA-N -1 3 468.575 4.991 40 0 JJABHM CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000013994411 555667988 /nfs/dbraw/zinc/66/79/88/555667988.db2.gz NRRXCJLBWCPJFY-QFIPXVFZSA-N -1 3 454.548 4.601 40 0 JJABHM COc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1 ZINC000014006263 555668321 /nfs/dbraw/zinc/66/83/21/555668321.db2.gz MDMMLOXWQJRCBL-SFHVURJKSA-N -1 3 454.548 4.519 40 0 JJABHM CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000014022252 555673361 /nfs/dbraw/zinc/67/33/61/555673361.db2.gz XAXHYLMEQPTITD-QHCPKHFHSA-N -1 3 454.548 4.601 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](CC)Oc3ccccc3)cc2)cc1 ZINC000014024226 555674310 /nfs/dbraw/zinc/67/43/10/555674310.db2.gz ATCOHQCEEKIJDD-QHCPKHFHSA-N -1 3 454.548 4.682 40 0 JJABHM COc1c(F)c(F)c(C(=O)[N-]c2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)c(F)c1F ZINC000014273332 555772694 /nfs/dbraw/zinc/77/26/94/555772694.db2.gz ZDGIBILDRMAECI-MRVPVSSYSA-N -1 3 458.477 4.815 40 0 JJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc(N2CCCCC2)cc1 ZINC000014397486 555803321 /nfs/dbraw/zinc/80/33/21/555803321.db2.gz CVUXFGAMAISARG-UHFFFAOYSA-N -1 3 453.539 4.869 40 0 JJABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1C(=O)N1CCC(C)CC1 ZINC000014401801 555806890 /nfs/dbraw/zinc/80/68/90/555806890.db2.gz HNBFQDNTRNKUDC-UHFFFAOYSA-N -1 3 457.379 4.675 40 0 JJABHM CSc1nnc2c(n1)O[C@@H](c1ccc([O-])c(Br)c1)Nc1ccc(Br)cc1-2 ZINC000015016395 555857794 /nfs/dbraw/zinc/85/77/94/555857794.db2.gz BEISWKNSULKDSX-HNNXBMFYSA-N -1 3 496.184 4.994 40 0 JJABHM CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000022246358 555896374 /nfs/dbraw/zinc/89/63/74/555896374.db2.gz GQMRHQUEXNYQIN-NRFANRHFSA-N -1 3 477.413 4.542 40 0 JJABHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(Br)c2)c1 ZINC000015320614 555897847 /nfs/dbraw/zinc/89/78/47/555897847.db2.gz QKZMJQOZAPPNGO-FSSWDIPSSA-N -1 3 479.330 4.509 40 0 JJABHM COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1OC ZINC000015529145 555913467 /nfs/dbraw/zinc/91/34/67/555913467.db2.gz HXCMNDNOKUUSIO-UHFFFAOYSA-N -1 3 468.575 4.693 40 0 JJABHM CC(C)(CN1CCCCC1)C(=O)C[C@H](SCCS(=O)(=O)[O-])c1ccc(Br)cc1 ZINC000017221007 556242512 /nfs/dbraw/zinc/24/25/12/556242512.db2.gz RRGMXASOBKVGMC-SFHVURJKSA-N -1 3 492.501 4.583 40 0 JJABHM CCCCCCC(=O)N1CCC(c2nc3c(nnn3Cc3ccc(C(C)(C)C)cc3)c(=O)[n-]2)CC1 ZINC000013083129 556279054 /nfs/dbraw/zinc/27/90/54/556279054.db2.gz ADDCTMZMLBEUAI-UHFFFAOYSA-N -1 3 478.641 4.949 40 0 JJABHM CCCCCC(=O)N1CCC(c2nc3c(nnn3Cc3ccc(C(C)(C)C)cc3)c(=O)[n-]2)CC1 ZINC000013083128 556279174 /nfs/dbraw/zinc/27/91/74/556279174.db2.gz CWUGUYFIAOHTCU-UHFFFAOYSA-N -1 3 464.614 4.559 40 0 JJABHM CC(C)(C)c1ccc(Cn2nnc3c2nc([C@H]2CCCN(C(=O)C4CCCCC4)C2)[n-]c3=O)cc1 ZINC000013083448 556279947 /nfs/dbraw/zinc/27/99/47/556279947.db2.gz AGWCOHDXHWZCHY-FQEVSTJZSA-N -1 3 476.625 4.559 40 0 JJABHM CCCCCCC(=O)N1CCC[C@H](c2nc3c(nnn3Cc3ccc(Cl)cc3Cl)c(=O)[n-]2)C1 ZINC000013083662 556280629 /nfs/dbraw/zinc/28/06/29/556280629.db2.gz DBYVKIXGTZMDIS-INIZCTEOSA-N -1 3 491.423 4.958 40 0 JJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000030865592 556383101 /nfs/dbraw/zinc/38/31/01/556383101.db2.gz MISHSGLAZMXHJY-UHFFFAOYSA-N -1 3 498.608 4.693 40 0 JJABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(OC)cc4OC)ccc3[O-])nc2c1 ZINC000057312811 569596349 /nfs/dbraw/zinc/59/63/49/569596349.db2.gz STCILTIXYTWPLN-UHFFFAOYSA-N -1 3 477.542 4.907 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)cc1 ZINC000034720537 569652389 /nfs/dbraw/zinc/65/23/89/569652389.db2.gz NAFWGWGKKBPFHN-UHFFFAOYSA-N -1 3 454.548 4.520 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3Br)cc2)cc1C ZINC000034744958 569655546 /nfs/dbraw/zinc/65/55/46/569655546.db2.gz DOJXGCJHPKLNOG-UHFFFAOYSA-N -1 3 489.391 4.884 40 0 JJABHM CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2C)cc1 ZINC000034889051 569669085 /nfs/dbraw/zinc/66/90/85/569669085.db2.gz ZQUDVAGHXCBLLH-UHFFFAOYSA-N -1 3 454.548 4.520 40 0 JJABHM COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc5ccccc5c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000095483650 569725139 /nfs/dbraw/zinc/72/51/39/569725139.db2.gz ICACOPHHXSRWJD-ZNZIZOMTSA-N -1 3 450.494 4.900 40 0 JJABHM O=c1c2c(nc3cc([C@H]4CCCN(Cc5ccc(F)cc5)C4)[n-]n31)CCN(Cc1ccc(F)cc1)C2 ZINC000100493037 569762208 /nfs/dbraw/zinc/76/22/08/569762208.db2.gz MKFMRDOLZREZKX-NRFANRHFSA-N -1 3 489.570 4.651 40 0 JJABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccc(OC)cc2)cc1 ZINC000100878037 569774002 /nfs/dbraw/zinc/77/40/02/569774002.db2.gz XTRQVPHRWLJOLA-PVHODMMVSA-N -1 3 480.520 4.908 40 0 JJABHM Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000100923780 569775993 /nfs/dbraw/zinc/77/59/93/569775993.db2.gz FPNWRGDFUMDEGI-FSSWDIPSSA-N -1 3 463.331 4.809 40 0 JJABHM COC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000101116525 569783420 /nfs/dbraw/zinc/78/34/20/569783420.db2.gz BHDBMIZMDLRZTN-BDTNDASRSA-N -1 3 497.334 4.831 40 0 JJABHM COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2[O-])n1-c1ccc(C)cc1C ZINC000038173693 569799913 /nfs/dbraw/zinc/79/99/13/569799913.db2.gz XVNZLAQBSHJKSP-UHFFFAOYSA-N -1 3 488.569 4.774 40 0 JJABHM COc1ccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1OC ZINC000038753586 569806528 /nfs/dbraw/zinc/80/65/28/569806528.db2.gz WYMZYMQYZXFIPX-UHFFFAOYSA-N -1 3 488.993 4.739 40 0 JJABHM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000038756393 569807289 /nfs/dbraw/zinc/80/72/89/569807289.db2.gz JAGGSIKEAZYYAS-UHFFFAOYSA-N -1 3 490.412 4.757 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(Cc4ccccc4F)CC3)cc2)cc1 ZINC000039752945 569811349 /nfs/dbraw/zinc/81/13/49/569811349.db2.gz LGPWEPIHLRSJKP-UHFFFAOYSA-N -1 3 481.593 4.786 40 0 JJABHM CCc1nn2c(ncc3c2ccn([N-]C(=O)c2ccccc2Cl)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397517 569825829 /nfs/dbraw/zinc/82/58/29/569825829.db2.gz FKZOGCMUYHMZCY-UHFFFAOYSA-N -1 3 478.339 4.964 40 0 JJABHM O=C(Nc1ccc(Cl)c(Cl)c1)C1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000040399385 569826517 /nfs/dbraw/zinc/82/65/17/569826517.db2.gz TZHHLRFIUXCRCG-LBPRGKRZSA-N -1 3 478.723 4.538 40 0 JJABHM O=C(Nc1ccc(Cl)cc1Cl)C1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000040399388 569826606 /nfs/dbraw/zinc/82/66/06/569826606.db2.gz DMDBSSDLNWAUGO-GFCCVEGCSA-N -1 3 478.723 4.538 40 0 JJABHM O=C(Nc1ccccc1Cl)C1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[n-]c(=O)c21 ZINC000040399475 569826689 /nfs/dbraw/zinc/82/66/89/569826689.db2.gz PZEVXXVXZXASOH-GFCCVEGCSA-N -1 3 478.723 4.538 40 0 JJABHM O=C(Nc1cccc(Cl)c1)C1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[n-]c(=O)c21 ZINC000040399473 569826728 /nfs/dbraw/zinc/82/67/28/569826728.db2.gz XVRWAHKURXVGKZ-CQSZACIVSA-N -1 3 478.723 4.538 40 0 JJABHM Cc1ccc(Cl)cc1NC(=O)C1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[n-]c(=O)c21 ZINC000040399565 569826777 /nfs/dbraw/zinc/82/67/77/569826777.db2.gz DEPBDFYJINZHMS-GFCCVEGCSA-N -1 3 492.750 4.847 40 0 JJABHM O=C(Nc1cccc2ccccc21)C1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400211 569827368 /nfs/dbraw/zinc/82/73/68/569827368.db2.gz YCIGQLWYWBCEFR-QGZVFWFLSA-N -1 3 493.445 4.750 40 0 JJABHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(Oc4ccccc4)cc2)CC(=O)N3)cc1 ZINC000040400423 569827625 /nfs/dbraw/zinc/82/76/25/569827625.db2.gz VRUKMFIDTZYXEV-NRFANRHFSA-N -1 3 481.512 4.679 40 0 JJABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4cccc(C(F)(F)F)c4)[n-]c(=O)c32)cc1Cl ZINC000040400312 569827657 /nfs/dbraw/zinc/82/76/57/569827657.db2.gz DZUSNYLHRGYTHR-AWEZNQCLSA-N -1 3 491.857 4.559 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000107970617 569858158 /nfs/dbraw/zinc/85/81/58/569858158.db2.gz DISVROBASZGBBT-UHFFFAOYSA-N -1 3 481.357 4.820 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1 ZINC000107987388 569858242 /nfs/dbraw/zinc/85/82/42/569858242.db2.gz HANMQTSUNNNPOO-UHFFFAOYSA-N -1 3 454.548 4.520 40 0 JJABHM CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1 ZINC000108028864 569858375 /nfs/dbraw/zinc/85/83/75/569858375.db2.gz NVKQHXYAAHZQKM-UHFFFAOYSA-N -1 3 454.548 4.520 40 0 JJABHM CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2)cc1 ZINC000108929357 569859871 /nfs/dbraw/zinc/85/98/71/569859871.db2.gz YDHJPCLPSFWFBO-UHFFFAOYSA-N -1 3 454.548 4.520 40 0 JJABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000136119117 569864565 /nfs/dbraw/zinc/86/45/65/569864565.db2.gz OVBRODNAMZDVAL-KMDXXIMOSA-N -1 3 478.932 4.717 40 0 JJABHM CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc(Br)c1[O-] ZINC000214364296 569876592 /nfs/dbraw/zinc/87/65/92/569876592.db2.gz OUGZCLFQRIRTHC-CXUHLZMHSA-N -1 3 452.301 4.929 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc4sncc4c3)cc2)cc1C ZINC000222680109 569888300 /nfs/dbraw/zinc/88/83/00/569888300.db2.gz YYBXNPRTPVWSHW-UHFFFAOYSA-N -1 3 467.572 4.731 40 0 JJABHM C[C@@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000222728249 569889691 /nfs/dbraw/zinc/88/96/91/569889691.db2.gz VLRCPBKYWJLLPG-MRXNPFEDSA-N -1 3 490.503 4.863 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(C)c(C)c3)c(C)c2)cc1 ZINC000222809187 569891642 /nfs/dbraw/zinc/89/16/42/569891642.db2.gz AEEYSARNMRJSGU-UHFFFAOYSA-N -1 3 482.602 4.853 40 0 JJABHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)cc2)CC3)c(C)c1 ZINC000222974610 569895876 /nfs/dbraw/zinc/89/58/76/569895876.db2.gz BWYPMPVYAZKYGA-UHFFFAOYSA-N -1 3 491.034 4.817 40 0 JJABHM Cc1ccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)c(C)c1 ZINC000224408854 569943685 /nfs/dbraw/zinc/94/36/85/569943685.db2.gz SJBVAVXLJGUKIQ-UHFFFAOYSA-N -1 3 458.967 4.566 40 0 JJABHM O=C(COc1cccc2ccccc21)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000224551149 569948124 /nfs/dbraw/zinc/94/81/24/569948124.db2.gz HPXHOTNNMWBPLK-UHFFFAOYSA-N -1 3 450.491 4.797 40 0 JJABHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1Cc1cccnc1 ZINC000224593676 569949870 /nfs/dbraw/zinc/94/98/70/569949870.db2.gz XENYVSPYJCLHGJ-RPBOFIJWSA-N -1 3 455.587 4.826 40 0 JJABHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1Cc1cccnc1 ZINC000224593762 569949901 /nfs/dbraw/zinc/94/99/01/569949901.db2.gz XENYVSPYJCLHGJ-DQEYMECFSA-N -1 3 455.587 4.826 40 0 JJABHM CC(C)CSc1nnc([N-]C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)s1 ZINC000224637906 569951807 /nfs/dbraw/zinc/95/18/07/569951807.db2.gz KTCSIQCGRPCIFV-UHFFFAOYSA-N -1 3 489.088 4.757 40 0 JJABHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)c(C)c1 ZINC000224773940 569957024 /nfs/dbraw/zinc/95/70/24/569957024.db2.gz HYMIGAHAXTVVKK-LBPRGKRZSA-N -1 3 485.418 4.754 40 0 JJABHM Cc1ccc(-c2nnc([N-]C(=O)c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3Cl)s2)cc1 ZINC000224904832 569962728 /nfs/dbraw/zinc/96/27/28/569962728.db2.gz OKTBYXHNAOWKDH-UHFFFAOYSA-N -1 3 491.038 4.840 40 0 JJABHM CSc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)cc1C(=O)N1CCCCCC1 ZINC000224921824 569963488 /nfs/dbraw/zinc/96/34/88/569963488.db2.gz MHGPJUBEEXRMOO-UHFFFAOYSA-N -1 3 473.664 4.826 40 0 JJABHM Cn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000408600064 569968253 /nfs/dbraw/zinc/96/82/53/569968253.db2.gz SPRBDAZXAFENCP-UHFFFAOYSA-N -1 3 473.769 4.791 40 0 JJABHM O=C(Nc1ccc(F)cc1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408600635 569968657 /nfs/dbraw/zinc/96/86/57/569968657.db2.gz BMVYLYTVNKVRMA-IBGZPJMESA-N -1 3 467.349 4.661 40 0 JJABHM CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1 ZINC000408602154 569969463 /nfs/dbraw/zinc/96/94/63/569969463.db2.gz HZIDXGRSLUGDHZ-FQEVSTJZSA-N -1 3 482.602 4.606 40 0 JJABHM C[C@H](Oc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1)C(=O)NC1CCCCC1 ZINC000408603794 569970123 /nfs/dbraw/zinc/97/01/23/569970123.db2.gz CVKQMLAIXFTNBY-HNNXBMFYSA-N -1 3 470.513 4.722 40 0 JJABHM C[C@@H](Oc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)C(=O)NC1CCCCC1 ZINC000408605503 569970898 /nfs/dbraw/zinc/97/08/98/569970898.db2.gz HKMPGKCVYSHNHV-OAHLLOKOSA-N -1 3 470.513 4.722 40 0 JJABHM C[C@H](Oc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)C(=O)NC1CCCCC1 ZINC000408605502 569970901 /nfs/dbraw/zinc/97/09/01/569970901.db2.gz HKMPGKCVYSHNHV-HNNXBMFYSA-N -1 3 470.513 4.722 40 0 JJABHM COc1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000408611379 569972771 /nfs/dbraw/zinc/97/27/71/569972771.db2.gz WUFYCEYFCBWOGT-HXUWFJFHSA-N -1 3 479.385 4.530 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 ZINC000408620862 569978075 /nfs/dbraw/zinc/97/80/75/569978075.db2.gz KATHSWWIJMDBKN-UHFFFAOYSA-N -1 3 460.939 4.557 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(F)cccc3F)c(Cl)c2)cc1 ZINC000408635908 569986235 /nfs/dbraw/zinc/98/62/35/569986235.db2.gz JLFOZBANNIJMEL-UHFFFAOYSA-N -1 3 496.919 4.835 40 0 JJABHM Cc1cccc([C@@H]([N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)c2ccccc2)c1 ZINC000225501290 570000392 /nfs/dbraw/zinc/00/03/92/570000392.db2.gz KCRYNMYVZDCXRE-FQEVSTJZSA-N -1 3 499.017 4.820 40 0 JJABHM CC(C)C[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccccc1 ZINC000225542808 570004277 /nfs/dbraw/zinc/00/42/77/570004277.db2.gz AZOQSQFAIIJUFM-QGZVFWFLSA-N -1 3 465.000 4.510 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)Nc1cccc(Br)c1 ZINC000408674637 570009396 /nfs/dbraw/zinc/00/93/96/570009396.db2.gz AUNMADZKTPIDAX-UHFFFAOYSA-N -1 3 493.354 4.715 40 0 JJABHM CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2C)c1 ZINC000408674794 570009513 /nfs/dbraw/zinc/00/95/13/570009513.db2.gz CPQBWWQNLWZEPG-UHFFFAOYSA-N -1 3 472.950 4.669 40 0 JJABHM CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C ZINC000408674888 570009707 /nfs/dbraw/zinc/00/97/07/570009707.db2.gz LNSMRFJYLVIVEP-UHFFFAOYSA-N -1 3 452.576 4.993 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3SC)c(C)c2)cc1 ZINC000408675301 570010134 /nfs/dbraw/zinc/01/01/34/570010134.db2.gz VFKCSTCUCVUXCX-UHFFFAOYSA-N -1 3 472.588 4.544 40 0 JJABHM CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C ZINC000408675373 570010245 /nfs/dbraw/zinc/01/02/45/570010245.db2.gz HWZNXCDRNAAAAY-UHFFFAOYSA-N -1 3 474.966 4.865 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)NCCC1=CCCCC1 ZINC000408677042 570010884 /nfs/dbraw/zinc/01/08/84/570010884.db2.gz PNJCMMDJNUPNQC-UHFFFAOYSA-N -1 3 462.999 4.835 40 0 JJABHM CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2C)c1 ZINC000408677715 570011112 /nfs/dbraw/zinc/01/11/12/570011112.db2.gz QYECRSKNERGVQQ-UHFFFAOYSA-N -1 3 460.552 4.674 40 0 JJABHM CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000408681023 570012453 /nfs/dbraw/zinc/01/24/53/570012453.db2.gz VUFTZYIOIBZENH-HXUWFJFHSA-N -1 3 474.966 4.946 40 0 JJABHM COc1cccc(C(=O)CC(=C([O-])c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000408682838 570013030 /nfs/dbraw/zinc/01/30/30/570013030.db2.gz JZNPXLSRUBYBQV-HSZRJFAPSA-N -1 3 456.947 4.955 40 0 JJABHM COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1C(=O)N1CCCCC1 ZINC000408693427 570016208 /nfs/dbraw/zinc/01/62/08/570016208.db2.gz TXWPWMWURHUNQE-UHFFFAOYSA-N -1 3 476.904 4.794 40 0 JJABHM CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000408694062 570016625 /nfs/dbraw/zinc/01/66/25/570016625.db2.gz AHMCUKUEVWVXAN-NRFANRHFSA-N -1 3 454.548 4.601 40 0 JJABHM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cc1NC(=O)CC ZINC000408696553 570018672 /nfs/dbraw/zinc/01/86/72/570018672.db2.gz CERMPOKWSPJGFT-UHFFFAOYSA-N -1 3 450.866 4.907 40 0 JJABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000225760922 570020539 /nfs/dbraw/zinc/02/05/39/570020539.db2.gz ZNRCTKUTLBEMNU-KRWDZBQOSA-N -1 3 466.397 4.963 40 0 JJABHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000225760906 570020530 /nfs/dbraw/zinc/02/05/30/570020530.db2.gz ZNRCTKUTLBEMNU-QGZVFWFLSA-N -1 3 466.397 4.963 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)SCc3ccccc3)cc2)cc1 ZINC000408921053 570077243 /nfs/dbraw/zinc/07/72/43/570077243.db2.gz RHEZFLWAAAGDRL-QGZVFWFLSA-N -1 3 456.589 4.756 40 0 JJABHM CC(C)CN1C(=O)C2(C[C@@H]1Cc1ccc(F)cc1)CCN(Cc1ccc(C(=O)[O-])cc1)CC2 ZINC000257256503 570125076 /nfs/dbraw/zinc/12/50/76/570125076.db2.gz KLSYMOUOJSOQTE-DEOSSOPVSA-N -1 3 452.570 4.606 40 0 JJABHM CC(C)CN1C(=O)C2(C[C@@H]1Cc1cccc(F)c1)CCN(Cc1cccc(C(=O)[O-])c1)CC2 ZINC000257276277 570131475 /nfs/dbraw/zinc/13/14/75/570131475.db2.gz NTBSQSNSAHXLDV-DEOSSOPVSA-N -1 3 452.570 4.606 40 0 JJABHM Cc1ccc2c(c1)OC(C)(C)[C@H]1C[C@@H]3CN(Cc4ccc(OCC(=O)[O-])cc4)CC[C@@H]3O[C@H]21 ZINC000257296709 570137542 /nfs/dbraw/zinc/13/75/42/570137542.db2.gz REAUWGMXGOHQOC-WVIBYCHQSA-N -1 3 451.563 4.598 40 0 JJABHM CCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1cc(Cl)c([O-])c(OC)c1 ZINC000261363408 570167918 /nfs/dbraw/zinc/16/79/18/570167918.db2.gz RNCHOJJTEMKKQP-FQEVSTJZSA-O -1 3 459.979 4.759 40 0 JJABHM O=C(CSc1nnc(-c2cc(Br)ccc2[O-])n1-c1ccccc1)Nc1ccccc1O ZINC000408541735 570191598 /nfs/dbraw/zinc/19/15/98/570191598.db2.gz DHWURBSOVIKSRA-UHFFFAOYSA-N -1 3 497.374 4.839 40 0 JJABHM O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)Nc1ccccc1[O-] ZINC000408541888 570191744 /nfs/dbraw/zinc/19/17/44/570191744.db2.gz GKBSHFBUJKOENQ-UHFFFAOYSA-N -1 3 450.951 4.948 40 0 JJABHM Cc1cc(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2C)ccc1Cl ZINC000408543606 570192111 /nfs/dbraw/zinc/19/21/11/570192111.db2.gz PGMJDEIBUZAFQA-UHFFFAOYSA-N -1 3 467.776 4.643 40 0 JJABHM Cc1ccc(-n2c(SCC(=O)NCCc3ccccc3)nnc2-c2ccccc2[O-])c(C)c1 ZINC000408545085 570192719 /nfs/dbraw/zinc/19/27/19/570192719.db2.gz YLCZMXLVQXNKFL-UHFFFAOYSA-N -1 3 458.587 4.708 40 0 JJABHM CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c1 ZINC000408553172 570195745 /nfs/dbraw/zinc/19/57/45/570195745.db2.gz OQRPIKSOTZRUAQ-UHFFFAOYSA-N -1 3 492.475 4.726 40 0 JJABHM CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408554996 570196633 /nfs/dbraw/zinc/19/66/33/570196633.db2.gz WDJLNTLSYWNRIX-UHFFFAOYSA-N -1 3 489.391 4.830 40 0 JJABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1NC(=O)c1ccccc1C ZINC000408557644 570198370 /nfs/dbraw/zinc/19/83/70/570198370.db2.gz GYLXSJIPNBYBFU-UHFFFAOYSA-N -1 3 493.354 4.958 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)cc2)cc1Cl ZINC000408558743 570199152 /nfs/dbraw/zinc/19/91/52/570199152.db2.gz KFLPONJFBHBCAC-UHFFFAOYSA-N -1 3 499.347 4.959 40 0 JJABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000408559017 570199375 /nfs/dbraw/zinc/19/93/75/570199375.db2.gz KWRMOQBZZVIKNX-UHFFFAOYSA-N -1 3 480.464 4.532 40 0 JJABHM Cc1cc(C)cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2Cl)c1 ZINC000408560621 570200480 /nfs/dbraw/zinc/20/04/80/570200480.db2.gz DQCYGJULOYIDJR-UHFFFAOYSA-N -1 3 462.930 4.914 40 0 JJABHM CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000408586270 570208135 /nfs/dbraw/zinc/20/81/35/570208135.db2.gz AWXLOEKPWORHQH-LLVKDONJSA-N -1 3 465.786 4.740 40 0 JJABHM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408593126 570209729 /nfs/dbraw/zinc/20/97/29/570209729.db2.gz PCSYZNPICVURCL-MRXNPFEDSA-N -1 3 450.988 4.665 40 0 JJABHM CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3[O-])n2Cc2ccccc2)cc1 ZINC000001223764 194075559 /nfs/dbraw/zinc/07/55/59/194075559.db2.gz XJNHDPXUBDYLNN-UHFFFAOYSA-N -1 3 488.569 4.607 40 0 JJABHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(Br)c2)c1 ZINC000001424824 194118755 /nfs/dbraw/zinc/11/87/55/194118755.db2.gz QKZMJQOZAPPNGO-VSKRKVRLSA-N -1 3 479.330 4.509 40 0 JJABHM CCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2cccs2)cc1 ZINC000004110942 194379344 /nfs/dbraw/zinc/37/93/44/194379344.db2.gz PKKVEPJHYSGKOU-NJYVYQBISA-N -1 3 482.945 4.629 40 0 JJABHM O=c1cc(CSc2ncccn2)nc(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)[n-]1 ZINC000020634919 195191710 /nfs/dbraw/zinc/19/17/10/195191710.db2.gz UDLUGTQDZFWIKW-UHFFFAOYSA-N -1 3 473.949 4.859 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1 ZINC000020767223 195222852 /nfs/dbraw/zinc/22/28/52/195222852.db2.gz BFJKRLOCMWDVCL-UHFFFAOYSA-N -1 3 456.951 4.742 40 0 JJABHM CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc(I)c1[O-] ZINC000106701793 195458764 /nfs/dbraw/zinc/45/87/64/195458764.db2.gz BRRQCQXTHVSPOA-YVLHZVERSA-N -1 3 495.338 4.940 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(F)cc3)c(C)c2)cc1 ZINC000022537373 521133864 /nfs/dbraw/zinc/13/38/64/521133864.db2.gz RLQHVSQRHKZDHW-SFHVURJKSA-N -1 3 486.565 4.590 40 0 JJABHM CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000020457893 522885841 /nfs/dbraw/zinc/88/58/41/522885841.db2.gz DIDYEUUMBVGHJL-DEOSSOPVSA-N -1 3 468.575 4.909 40 0 JJABHM COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1OC ZINC000020453078 523926433 /nfs/dbraw/zinc/92/64/33/523926433.db2.gz KMDFBZHEXGXVDF-UHFFFAOYSA-N -1 3 468.575 4.693 40 0 JJABHM CCc1ccc(S(=O)(=O)[N-]c2cc(NS(=O)(=O)c3ccc(CC)cc3)ccc2C)cc1 ZINC000016162055 524016686 /nfs/dbraw/zinc/01/66/86/524016686.db2.gz QHNLJPACBPHMJD-UHFFFAOYSA-N -1 3 458.605 4.721 40 0 JJABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4c(OC)cccc4OC)ccc3[O-])nc2c1 ZINC000022713686 524060666 /nfs/dbraw/zinc/06/06/66/524060666.db2.gz YZHLJRDECXOCMP-UHFFFAOYSA-N -1 3 477.542 4.907 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3cc(C)c(C)cc3C)cc2)cc1 ZINC000022536842 525301375 /nfs/dbraw/zinc/30/13/75/525301375.db2.gz XUKUDTHEEVHGCT-NRFANRHFSA-N -1 3 466.603 4.977 40 0 JJABHM COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc([O-])c(-c2nc3cc(C)ccc3o2)c1 ZINC000016348394 526215824 /nfs/dbraw/zinc/21/58/24/526215824.db2.gz FRIUTLSRVUIEST-UHFFFAOYSA-N -1 3 463.515 4.653 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1cccc(Cl)c1Cl ZINC000016490478 526967146 /nfs/dbraw/zinc/96/71/46/526967146.db2.gz LRMUYJLBWVFKSK-UHFFFAOYSA-N -1 3 451.331 4.812 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000020019961 526967910 /nfs/dbraw/zinc/96/79/10/526967910.db2.gz FBVSUOBRGUGXRQ-UHFFFAOYSA-N -1 3 468.428 4.663 40 0 JJABHM Cc1nccn1-c1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000020462583 527386381 /nfs/dbraw/zinc/38/63/81/527386381.db2.gz XOKPKNOGVGOKIX-UHFFFAOYSA-N -1 3 474.586 4.528 40 0 JJABHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1C)[C@H]2c1ccccc1 ZINC000008741708 554644402 /nfs/dbraw/zinc/64/44/02/554644402.db2.gz QKGHOTIOQYKHCM-VABKMULXSA-N -1 3 490.581 4.901 40 0 JJABHM Cc1ccc(C([O-])=C2[C@@H](c3cccc(Oc4ccccc4)c3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000008915312 554808923 /nfs/dbraw/zinc/80/89/23/554808923.db2.gz BQDRPRMARQFALJ-PQNGQFLHSA-N -1 3 470.447 4.891 40 0 JJABHM COc1ccc(N2OC3=C([O-])N(c4cccc5ccccc54)C(=O)[C@@H]3[C@H]2c2ccccc2)cc1 ZINC000009019265 554866775 /nfs/dbraw/zinc/86/67/75/554866775.db2.gz KKTSAQMJSJALQX-TWJOJJKGSA-N -1 3 450.494 4.900 40 0 JJABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)c(Br)c2)cc1 ZINC000009233833 555006874 /nfs/dbraw/zinc/00/68/74/555006874.db2.gz AGYOFJYQOBMALH-VSKRKVRLSA-N -1 3 481.321 4.948 40 0 JJABHM CCCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)cc2)cc1 ZINC000009462738 555231994 /nfs/dbraw/zinc/23/19/94/555231994.db2.gz DDAVAODKVWGTQY-GVAUOCQISA-N -1 3 458.514 4.622 40 0 JJABHM COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000013513802 555484873 /nfs/dbraw/zinc/48/48/73/555484873.db2.gz YWWIZTJUVAVILE-FSSWDIPSSA-N -1 3 479.330 4.509 40 0 JJABHM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c(OC)c1OC ZINC000009973426 555574038 /nfs/dbraw/zinc/57/40/38/555574038.db2.gz RBLYDEXOLINBSA-MHWRWJLKSA-N -1 3 496.585 4.782 40 0 JJABHM CCc1cccc(C)c1NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000020009552 555584911 /nfs/dbraw/zinc/58/49/11/555584911.db2.gz XMLROMZRLBKZLQ-NRFANRHFSA-N -1 3 487.021 4.748 40 0 JJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000020009699 555585486 /nfs/dbraw/zinc/58/54/86/555585486.db2.gz CHFVMWXHBMTOCS-IBGZPJMESA-N -1 3 497.375 4.669 40 0 JJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1c(C)cc(C)cc1C ZINC000020009909 555585998 /nfs/dbraw/zinc/58/59/98/555585998.db2.gz YNHJJMSWNVBWKV-OAQYLSRUSA-N -1 3 487.021 4.802 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000020022455 555599955 /nfs/dbraw/zinc/59/99/55/555599955.db2.gz DCUCECIIUMVPDN-HSZRJFAPSA-N -1 3 468.550 4.508 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000020022363 555600008 /nfs/dbraw/zinc/60/00/08/555600008.db2.gz VJVNTJCQQVSLON-UHFFFAOYSA-N -1 3 482.455 4.971 40 0 JJABHM COc1ccccc1[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C ZINC000020022385 555600031 /nfs/dbraw/zinc/60/00/31/555600031.db2.gz KDRSNXBENKOPOA-QGZVFWFLSA-N -1 3 488.993 4.714 40 0 JJABHM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1OC ZINC000010040466 555605379 /nfs/dbraw/zinc/60/53/79/555605379.db2.gz UWBIPJSFORQRCT-RIYZIHGNSA-N -1 3 472.950 4.810 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3C)cc2)cc1 ZINC000013993751 555668030 /nfs/dbraw/zinc/66/80/30/555668030.db2.gz UHQVAMHZSLLVTN-GOSISDBHSA-N -1 3 454.548 4.601 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](CC)Oc3cccc(C)c3)cc2)cc1 ZINC000014022650 555673658 /nfs/dbraw/zinc/67/36/58/555673658.db2.gz BIDKNAPRFXRDGQ-DEOSSOPVSA-N -1 3 468.575 4.991 40 0 JJABHM COc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC000010388021 555704724 /nfs/dbraw/zinc/70/47/24/555704724.db2.gz OXOQDIKGEPUQQN-GOSISDBHSA-N -1 3 454.548 4.519 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)cc1 ZINC000015439236 555909073 /nfs/dbraw/zinc/90/90/73/555909073.db2.gz IMGJDYCOQSGEAS-UHFFFAOYSA-N -1 3 462.980 4.880 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(Cl)c3)cc2)cc1 ZINC000015439104 555909198 /nfs/dbraw/zinc/90/91/98/555909198.db2.gz BAJMCUWLSXJOMS-HNNXBMFYSA-N -1 3 460.939 4.555 40 0 JJABHM Cc1cccc(C(=O)N2CCC(c3nc4c(nnn4Cc4ccc(C(C)(C)C)cc4)c(=O)[n-]3)CC2)c1 ZINC000013083135 556279127 /nfs/dbraw/zinc/27/91/27/556279127.db2.gz QEBXEKQDTAKQGY-UHFFFAOYSA-N -1 3 484.604 4.601 40 0 JJABHM Cc1cccc(NC(=O)N2CCC(c3nc4c(nnn4Cc4ccc(C(C)(C)C)cc4)c(=O)[n-]3)CC2)c1 ZINC000013083143 556279138 /nfs/dbraw/zinc/27/91/38/556279138.db2.gz NFXZOCIRKCCZLH-UHFFFAOYSA-N -1 3 499.619 4.993 40 0 JJABHM CCCCCCC(=O)N1CCC(c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[n-]2)CC1 ZINC000013083194 556279144 /nfs/dbraw/zinc/27/91/44/556279144.db2.gz CJLVSPNMMQKMMW-UHFFFAOYSA-N -1 3 491.423 4.958 40 0 JJABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C([O-])=C3ON2c2ccc(OC)cc2)cc1 ZINC000018099955 556287769 /nfs/dbraw/zinc/28/77/69/556287769.db2.gz WBODFGCOJUDTNL-SGNDLWITSA-N -1 3 478.932 4.717 40 0 JJABHM Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000030753443 556372233 /nfs/dbraw/zinc/37/22/33/556372233.db2.gz HMKQXEGKOMQQIW-SFHVURJKSA-N -1 3 456.539 4.958 40 0 JJABHM CCOc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1OCC ZINC000030861577 556381950 /nfs/dbraw/zinc/38/19/50/556381950.db2.gz IWRXKUBKZNODAC-UHFFFAOYSA-N -1 3 488.993 4.868 40 0 JJABHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccc5nsnc5c4)ccc3[O-])oc2c(C)c1 ZINC000059294289 569602468 /nfs/dbraw/zinc/60/24/68/569602468.db2.gz FKJBEMXQYGVHON-UHFFFAOYSA-N -1 3 475.555 4.949 40 0 JJABHM O=c1/c(=C\c2cc(Cl)ccc2[O-])sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000059513146 569606334 /nfs/dbraw/zinc/60/63/34/569606334.db2.gz MWMURRQKDFEABH-FJWZAKCXSA-N -1 3 477.010 4.739 40 0 JJABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000033499464 569627096 /nfs/dbraw/zinc/62/70/96/569627096.db2.gz HAKPGBWGMVELAP-UHFFFAOYSA-N -1 3 492.641 4.964 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000033634076 569629337 /nfs/dbraw/zinc/62/93/37/569629337.db2.gz ZALZYPBJTZUZKC-UHFFFAOYSA-N -1 3 460.939 4.557 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)Nc1ccc(Cl)cc1 ZINC000033708898 569631272 /nfs/dbraw/zinc/63/12/72/569631272.db2.gz JNQUXHOBRXMVPC-UHFFFAOYSA-N -1 3 451.331 4.812 40 0 JJABHM COC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000101116522 569783456 /nfs/dbraw/zinc/78/34/56/569783456.db2.gz BHDBMIZMDLRZTN-FSSWDIPSSA-N -1 3 497.334 4.831 40 0 JJABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC(F)(F)F)cc2)cc1 ZINC000101202022 569786935 /nfs/dbraw/zinc/78/69/35/569786935.db2.gz BGTOLEVKKWBDTR-VSKRKVRLSA-N -1 3 468.431 4.945 40 0 JJABHM CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000038757034 569807399 /nfs/dbraw/zinc/80/73/99/569807399.db2.gz OKTVVEXVGCMBHI-MRXNPFEDSA-N -1 3 485.993 4.921 40 0 JJABHM COC(=O)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102723637 569817517 /nfs/dbraw/zinc/81/75/17/569817517.db2.gz LAPBPRQUNKXYNB-BHIFYINESA-N -1 3 497.334 4.831 40 0 JJABHM COc1cccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)c1OC ZINC000102723700 569817577 /nfs/dbraw/zinc/81/75/77/569817577.db2.gz IJMYYCGLMIZEQX-CMTIAEDTSA-N -1 3 480.520 4.908 40 0 JJABHM CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000102759148 569821540 /nfs/dbraw/zinc/82/15/40/569821540.db2.gz ROGZTUDBUVLFII-DSNGMDLFSA-N -1 3 476.504 4.674 40 0 JJABHM O=C1[C@H]2C(=C([O-])N1c1ccccc1F)ON(c1ccccc1)[C@@H]2c1ccc(F)c(Br)c1 ZINC000102760212 569821856 /nfs/dbraw/zinc/82/18/56/569821856.db2.gz IQVSGJGTBVUQAH-NJYVYQBISA-N -1 3 485.284 4.778 40 0 JJABHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccc(OC(F)(F)F)cc1 ZINC000102761250 569821997 /nfs/dbraw/zinc/82/19/97/569821997.db2.gz HRROAIDPKJDDAX-NJYVYQBISA-N -1 3 472.394 4.775 40 0 JJABHM O=C(Nc1ccc(Cl)cc1)C1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[n-]c(=O)c21 ZINC000040399471 569826730 /nfs/dbraw/zinc/82/67/30/569826730.db2.gz XXKODEXPCSNHTG-CQSZACIVSA-N -1 3 478.723 4.538 40 0 JJABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4cccc(C(F)(F)F)c4)[n-]c(=O)c32)c(Cl)c1 ZINC000040400337 569827559 /nfs/dbraw/zinc/82/75/59/569827559.db2.gz PQXZBVLESXPOAJ-ZDUSSCGKSA-N -1 3 491.857 4.559 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3C)cc2)cc1 ZINC000107734627 569857199 /nfs/dbraw/zinc/85/71/99/569857199.db2.gz KLXSDIIVBAVLPY-UHFFFAOYSA-N -1 3 474.966 4.865 40 0 JJABHM N=C1S/C(=C/c2ccc(-c3ccc4c(c3)C(=O)[N-]C4=O)o2)C(=O)N1c1ccc(Br)cc1 ZINC000169303491 569868240 /nfs/dbraw/zinc/86/82/40/569868240.db2.gz ULBOWKXOFOTCMU-JJIAOXALSA-N -1 3 494.326 4.648 40 0 JJABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc4sncc4c3)cc2)c1 ZINC000222687189 569888542 /nfs/dbraw/zinc/88/85/42/569888542.db2.gz IVKOXSVWDZQXHL-UHFFFAOYSA-N -1 3 467.572 4.731 40 0 JJABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc4sncc4c3)cc2)c1 ZINC000222693910 569888782 /nfs/dbraw/zinc/88/87/82/569888782.db2.gz PBFSYWCCUXEWLJ-UHFFFAOYSA-N -1 3 467.572 4.731 40 0 JJABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(C)c(C)c3)cc2)c1 ZINC000222696023 569888814 /nfs/dbraw/zinc/88/88/14/569888814.db2.gz YSLXERWNRNMEAG-UHFFFAOYSA-N -1 3 452.576 4.763 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc4sncc4c3)cc2)cc1 ZINC000222704249 569889055 /nfs/dbraw/zinc/88/90/55/569889055.db2.gz XCAWSDJUTDZTIG-UHFFFAOYSA-N -1 3 483.571 4.513 40 0 JJABHM Cc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2C)cc1C ZINC000222805742 569891575 /nfs/dbraw/zinc/89/15/75/569891575.db2.gz BSHIQBUFKNAJAJ-UHFFFAOYSA-N -1 3 456.539 4.594 40 0 JJABHM Cc1cccc([C@@H]([N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)c2ccccc2)c1 ZINC000223247388 569904807 /nfs/dbraw/zinc/90/48/07/569904807.db2.gz WLJSFXMNKHETEE-FQEVSTJZSA-N -1 3 499.017 4.820 40 0 JJABHM C[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccc(C(C)(C)C)cc1 ZINC000223278927 569905931 /nfs/dbraw/zinc/90/59/31/569905931.db2.gz FYXLJECKXPQBRW-CYBMUJFWSA-N -1 3 479.027 4.781 40 0 JJABHM COc1ccc(S(=O)(=O)[N-]Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)c(Cl)c1Cl ZINC000223576995 569916661 /nfs/dbraw/zinc/91/66/61/569916661.db2.gz YXECCNZQGFURCE-UHFFFAOYSA-N -1 3 470.378 4.828 40 0 JJABHM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000223800412 569923744 /nfs/dbraw/zinc/92/37/44/569923744.db2.gz JTQUXAAGEQJPNP-UHFFFAOYSA-N -1 3 497.429 4.939 40 0 JJABHM Cc1ccc([C@H]([N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)c2ccccc2)cc1 ZINC000224181079 569935520 /nfs/dbraw/zinc/93/55/20/569935520.db2.gz GQBZIUZQPHMZMV-HXUWFJFHSA-N -1 3 499.017 4.820 40 0 JJABHM Cc1ccc([C@@H]([N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)c2ccccc2)cc1 ZINC000224181031 569935533 /nfs/dbraw/zinc/93/55/33/569935533.db2.gz GQBZIUZQPHMZMV-FQEVSTJZSA-N -1 3 499.017 4.820 40 0 JJABHM Cc1ccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1C ZINC000224409010 569943680 /nfs/dbraw/zinc/94/36/80/569943680.db2.gz OGLHROCUAFUFEQ-UHFFFAOYSA-N -1 3 458.967 4.566 40 0 JJABHM CN(C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])cc1 ZINC000224611447 569950704 /nfs/dbraw/zinc/95/07/04/569950704.db2.gz ZBYJQPCSAKANOX-JWQCQUIFSA-N -1 3 455.587 4.821 40 0 JJABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C[C@@H]1CCCO1 ZINC000224865244 569960802 /nfs/dbraw/zinc/96/08/02/569960802.db2.gz LXKJDUBQNCMBGF-SSKFGXFMSA-N -1 3 454.983 4.598 40 0 JJABHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)cc1C(=O)N1CCCCCC1 ZINC000224956457 569965004 /nfs/dbraw/zinc/96/50/04/569965004.db2.gz UWGBFUQVGLVBCJ-UHFFFAOYSA-N -1 3 471.623 4.503 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)CCc3ccccc3)cc2)cc1Cl ZINC000408593998 569965210 /nfs/dbraw/zinc/96/52/10/569965210.db2.gz RJQGIDRBWAYGOO-IBGZPJMESA-N -1 3 487.021 4.966 40 0 JJABHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000408595658 569966256 /nfs/dbraw/zinc/96/62/56/569966256.db2.gz SMJDBPTXUBMXKQ-MRVPVSSYSA-N -1 3 475.703 4.971 40 0 JJABHM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(N4CCCCC4)cc3)ccc2n1Cc1ccccc1 ZINC000224981230 569967061 /nfs/dbraw/zinc/96/70/61/569967061.db2.gz KWMANQUKQJXTIP-UHFFFAOYSA-N -1 3 479.627 4.902 40 0 JJABHM Cc1ccc(CNC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000408597659 569967575 /nfs/dbraw/zinc/96/75/75/569967575.db2.gz VRPSYGDMOXFJRZ-OAQYLSRUSA-N -1 3 477.413 4.508 40 0 JJABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccc(C)cc1 ZINC000224990898 569967716 /nfs/dbraw/zinc/96/77/16/569967716.db2.gz QOZPHDRPFPPFNP-INIZCTEOSA-N -1 3 485.418 4.835 40 0 JJABHM CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408602828 569969662 /nfs/dbraw/zinc/96/96/62/569969662.db2.gz JGONHIGICTYHJG-CYBMUJFWSA-N -1 3 478.920 4.699 40 0 JJABHM CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1 ZINC000408605103 569970556 /nfs/dbraw/zinc/97/05/56/569970556.db2.gz MOOJBJYJTPHTPS-UHFFFAOYSA-N -1 3 474.966 4.865 40 0 JJABHM CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1 ZINC000408609545 569972102 /nfs/dbraw/zinc/97/21/02/569972102.db2.gz TYIQBHZQEPJCOY-SFHVURJKSA-N -1 3 454.548 4.572 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCCC3)c(Cl)c2)cc1 ZINC000408626201 569980504 /nfs/dbraw/zinc/98/05/04/569980504.db2.gz UUWYTCRWMRSRFH-UHFFFAOYSA-N -1 3 481.014 4.757 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3F)c(Cl)c2)cc1 ZINC000408635686 569986060 /nfs/dbraw/zinc/98/60/60/569986060.db2.gz HGMQOUBKPDVOFU-UHFFFAOYSA-N -1 3 496.919 4.835 40 0 JJABHM C[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccc(C(C)(C)C)cc1 ZINC000225380343 569994032 /nfs/dbraw/zinc/99/40/32/569994032.db2.gz RZPJYLOUIGLXHF-CYBMUJFWSA-N -1 3 479.027 4.781 40 0 JJABHM COc1ccc([C@H](CC(C)C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)cc1 ZINC000225526649 570002583 /nfs/dbraw/zinc/00/25/83/570002583.db2.gz GYAMHNVCINPSGZ-SFHVURJKSA-N -1 3 495.026 4.518 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccccc3Cl)c(C)c2)cc1C ZINC000408674614 570009239 /nfs/dbraw/zinc/00/92/39/570009239.db2.gz CNBXLSDFRZVZRK-UHFFFAOYSA-N -1 3 472.994 4.761 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(C)ccc3OC)c(C)c2)cc1 ZINC000408674690 570009348 /nfs/dbraw/zinc/00/93/48/570009348.db2.gz FXUSPBQRQVCUBV-UHFFFAOYSA-N -1 3 484.574 4.529 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)CCc3ccccc3)c(C)c2)cc1C ZINC000408674823 570009608 /nfs/dbraw/zinc/00/96/08/570009608.db2.gz IWMPKSHZRUXILL-JOCHJYFZSA-N -1 3 480.630 4.929 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1cccc(Br)c1 ZINC000408675006 570009897 /nfs/dbraw/zinc/00/98/97/570009897.db2.gz FTUUMLNZTCNLJV-UHFFFAOYSA-N -1 3 475.364 4.576 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCC3=CCCCC3)c(C)c2)cc1 ZINC000408675323 570010104 /nfs/dbraw/zinc/01/01/04/570010104.db2.gz VQZARYWZJJPPTD-UHFFFAOYSA-N -1 3 472.607 4.580 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(F)cccc3F)c(C)c2)cc1C ZINC000408675400 570010292 /nfs/dbraw/zinc/01/02/92/570010292.db2.gz XWUVLRSNQUVEHI-UHFFFAOYSA-N -1 3 460.502 4.708 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1ccc(Br)cc1F ZINC000408677917 570011085 /nfs/dbraw/zinc/01/10/85/570011085.db2.gz SIFOYHJYHKJHTA-UHFFFAOYSA-N -1 3 493.354 4.715 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](CC)Oc3ccccc3F)cc2)cc1 ZINC000408678928 570011480 /nfs/dbraw/zinc/01/14/80/570011480.db2.gz KPAVAKVMRIJIGY-JOCHJYFZSA-N -1 3 472.538 4.821 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408679161 570011590 /nfs/dbraw/zinc/01/15/90/570011590.db2.gz VFAJDRPVMGGHNS-UHFFFAOYSA-N -1 3 482.455 4.971 40 0 JJABHM COc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C ZINC000408680003 570011981 /nfs/dbraw/zinc/01/19/81/570011981.db2.gz XOJNNYDRUDKFBP-UHFFFAOYSA-N -1 3 478.929 4.614 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cc(C)cc(C)c3)cc2)cc1 ZINC000408680173 570012092 /nfs/dbraw/zinc/01/20/92/570012092.db2.gz OWXRWZWRASMZQC-SFHVURJKSA-N -1 3 454.548 4.519 40 0 JJABHM COc1cccc([C@H]2CN(Cc3ccccc3)C(=O)C23CCN(Cc2ccc(C(=O)[O-])cc2)CC3)c1 ZINC000257241652 570120670 /nfs/dbraw/zinc/12/06/70/570120670.db2.gz HYYLMDYIKWHUEB-HHHXNRCGSA-N -1 3 484.596 4.802 40 0 JJABHM CC1(C)Oc2ccc(Cl)cc2[C@H]2O[C@H]3CCN(Cc4ccccc4OCC(=O)[O-])C[C@@H]3C[C@@H]21 ZINC000257272333 570130379 /nfs/dbraw/zinc/13/03/79/570130379.db2.gz NCAQVEVBQGDPJY-OHQXTMKLSA-N -1 3 471.981 4.943 40 0 JJABHM O=C1S/C(=C/c2ccc([O-])c(I)c2)C(=O)N1CCCc1ccccc1 ZINC000409147774 570147810 /nfs/dbraw/zinc/14/78/10/570147810.db2.gz WEAGXVXWVVKHON-SFQUDFHCSA-N -1 3 465.312 4.666 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN3c4cccc5cccc(c45)C3=O)cc2)c(C)c1 ZINC000409176510 570157047 /nfs/dbraw/zinc/15/70/47/570157047.db2.gz PQRYSMQTQMXDDU-UHFFFAOYSA-N -1 3 485.565 4.856 40 0 JJABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C[C@H]1CCCO1 ZINC000260919531 570164070 /nfs/dbraw/zinc/16/40/70/570164070.db2.gz LXKJDUBQNCMBGF-NPFVIJTESA-N -1 3 454.983 4.598 40 0 JJABHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1Cl ZINC000409232495 570178322 /nfs/dbraw/zinc/17/83/22/570178322.db2.gz ISCRZASHQZFIIF-UHFFFAOYSA-N -1 3 459.134 4.653 40 0 JJABHM Cn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cc(Br)ccc1[O-] ZINC000408544493 570192554 /nfs/dbraw/zinc/19/25/54/570192554.db2.gz UFHIPUOZGNZAIY-UHFFFAOYSA-N -1 3 488.194 4.988 40 0 JJABHM CN(Cc1ccccc1)C(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408554930 570196604 /nfs/dbraw/zinc/19/66/04/570196604.db2.gz VQKRWMSGICRLIB-UHFFFAOYSA-N -1 3 478.492 4.544 40 0 JJABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c(C)c1 ZINC000408556046 570197200 /nfs/dbraw/zinc/19/72/00/570197200.db2.gz YZFUGUTXEDNFGT-UHFFFAOYSA-N -1 3 489.391 4.884 40 0 JJABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1NC(=O)c1ccccc1F ZINC000408562245 570201634 /nfs/dbraw/zinc/20/16/34/570201634.db2.gz YLOPUUTVDJPDIC-UHFFFAOYSA-N -1 3 450.438 4.556 40 0 JJABHM Cc1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2Cl)c1 ZINC000408562499 570201886 /nfs/dbraw/zinc/20/18/86/570201886.db2.gz QHQCAECVXPSWHK-UHFFFAOYSA-N -1 3 462.930 4.914 40 0 JJABHM C[C@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl)c1ccccc1 ZINC000408564585 570202742 /nfs/dbraw/zinc/20/27/42/570202742.db2.gz ZTADIVKSXJIPFB-HNNXBMFYSA-N -1 3 462.930 4.536 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)NC(c1ccccc1)c1ccccc1 ZINC000408582861 570207128 /nfs/dbraw/zinc/20/71/28/570207128.db2.gz FNGWERAATLLEGT-UHFFFAOYSA-N -1 3 490.556 4.911 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)CCc3ccccc3)c(C)c2)cc1 ZINC000408582908 570207175 /nfs/dbraw/zinc/20/71/75/570207175.db2.gz FVPQJALJZAJLAI-OAQYLSRUSA-N -1 3 466.603 4.621 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCCCC3)cc2)cc1Cl ZINC000408584063 570207438 /nfs/dbraw/zinc/20/74/38/570207438.db2.gz LJXMORZQCNZKCI-UHFFFAOYSA-N -1 3 481.014 4.757 40 0 JJABHM CCS(=O)(=O)[N-]c1ccc(-c2nnc(SCC(=O)c3c(C)c(C)cc(C)c3C)o2)cc1 ZINC000001329706 194089003 /nfs/dbraw/zinc/08/90/03/194089003.db2.gz VCUNBKGRIBFTRL-UHFFFAOYSA-N -1 3 459.593 4.707 40 0 JJABHM COC(=O)c1nc2nnc([N-]C(=O)Nc3ccc(Cl)cc3)n2c(-c2ccc(Cl)cc2)c1C ZINC000001592548 194128928 /nfs/dbraw/zinc/12/89/28/194128928.db2.gz FLNVIHZYKCUWBV-UHFFFAOYSA-N -1 3 471.304 4.837 40 0 JJABHM COc1cccc(NC(=O)CSc2nnc(-c3ccccc3[O-])n2CCc2ccccc2)c1 ZINC000012879909 195167633 /nfs/dbraw/zinc/16/76/33/195167633.db2.gz ZVDJXSWKAUBIIV-UHFFFAOYSA-N -1 3 460.559 4.633 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3I)cc2)cc1 ZINC000059132920 195389721 /nfs/dbraw/zinc/38/97/21/195389721.db2.gz HUWUNUNPPYSDHP-UHFFFAOYSA-N -1 3 492.338 4.653 40 0 JJABHM CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4C(=O)[O-])[C@H]3C2=O)cc1 ZINC000033695887 520882534 /nfs/dbraw/zinc/88/25/34/520882534.db2.gz OPXAHFXFFJHGIH-SDHSZQHLSA-N -1 3 486.524 4.615 40 0 JJABHM CCOC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000044899975 521556509 /nfs/dbraw/zinc/55/65/09/521556509.db2.gz OLIFWTCHUWQXRX-UHFFFAOYSA-N -1 3 472.950 4.878 40 0 JJABHM C[C@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc(F)cc1 ZINC000022536950 524970345 /nfs/dbraw/zinc/97/03/45/524970345.db2.gz SGFSVOWSVQCCQC-HNNXBMFYSA-N -1 3 462.930 4.536 40 0 JJABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1Cl ZINC000020459666 525216481 /nfs/dbraw/zinc/21/64/81/525216481.db2.gz FFFOBBISRUGCOR-UHFFFAOYSA-N -1 3 467.827 4.682 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(F)cc3)c(C)c2)cc1C ZINC000022537392 525301843 /nfs/dbraw/zinc/30/18/43/525301843.db2.gz RFFNAMGEQLFRIQ-IBGZPJMESA-N -1 3 470.566 4.808 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(F)cc3)cc2)cc1Cl ZINC000022537084 525302670 /nfs/dbraw/zinc/30/26/70/525302670.db2.gz NUDSYYFKGGHQID-MRXNPFEDSA-N -1 3 476.957 4.845 40 0 JJABHM COc1ccc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1OC ZINC000044904326 525314473 /nfs/dbraw/zinc/31/44/73/525314473.db2.gz STVAGODBQVHJLF-HNNXBMFYSA-N -1 3 474.966 4.649 40 0 JJABHM COc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c1 ZINC000020452799 526239272 /nfs/dbraw/zinc/23/92/72/526239272.db2.gz UECZTLVWIDRVAM-GOSISDBHSA-N -1 3 454.548 4.519 40 0 JJABHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)OC(c1ccccc1)c1ccccc1 ZINC000016477823 526885309 /nfs/dbraw/zinc/88/53/09/526885309.db2.gz CJJBJOVBMHVNGM-UHFFFAOYSA-N -1 3 450.343 4.605 40 0 JJABHM O=C(COc1cccc2ccccc21)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000012488260 526979512 /nfs/dbraw/zinc/97/95/12/526979512.db2.gz RUGRGPSNGVSIRZ-UHFFFAOYSA-N -1 3 450.491 4.797 40 0 JJABHM O=C(NC(=Cc1cc(Cl)ccc1Cl)c1nc2c([n-]c(=S)[nH]c2=O)[nH]1)c1ccccc1 ZINC000008652848 527433709 /nfs/dbraw/zinc/43/37/09/527433709.db2.gz DLDRQYXWWLRNGZ-NTEUORMPSA-N -1 3 458.330 4.582 40 0 JJABHM COc1ccccc1-n1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccccc1[O-] ZINC000000915856 553846216 /nfs/dbraw/zinc/84/62/16/553846216.db2.gz IFVBGNCXXSJEBI-UHFFFAOYSA-N -1 3 474.542 4.582 40 0 JJABHM Cc1ccc(-n2c(CSc3nc(C)cc(C)n3)nnc2SCC(=O)Nc2ccccc2[O-])cc1 ZINC000006280177 554524537 /nfs/dbraw/zinc/52/45/37/554524537.db2.gz YHBCNVCYYTVEOC-UHFFFAOYSA-N -1 3 492.630 4.711 40 0 JJABHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(C)cc1 ZINC000008741557 554644036 /nfs/dbraw/zinc/64/40/36/554644036.db2.gz NYMXESZBJXQADW-ZLNRFVROSA-N -1 3 490.581 4.901 40 0 JJABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000009063616 554881331 /nfs/dbraw/zinc/88/13/31/554881331.db2.gz ONMNDBNRPBWHSN-UHFFFAOYSA-N -1 3 481.593 4.786 40 0 JJABHM Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)C(=C([O-])c2ccccn2)[C@]12C(=O)Nc1ccccc12 ZINC000009089999 554890952 /nfs/dbraw/zinc/89/09/52/554890952.db2.gz ZFCHLXCDLKDYCG-ZGQJUUMOSA-N -1 3 491.591 4.978 40 0 JJABHM CC(=O)c1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(Br)c2)c1 ZINC000009280817 555049504 /nfs/dbraw/zinc/04/95/04/555049504.db2.gz HNZPIYWRPAOGKF-ZLNRFVROSA-N -1 3 491.341 4.703 40 0 JJABHM CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(SC)cc1 ZINC000009499834 555284499 /nfs/dbraw/zinc/28/44/99/555284499.db2.gz MCDHGROHRRBXPD-VXNXHJTFSA-N -1 3 460.555 4.858 40 0 JJABHM COC(=O)c1c(C)c(C(=O)Nc2cccc(C(F)(F)F)c2)sc1[N-]C(=O)c1ccco1 ZINC000013388502 555394116 /nfs/dbraw/zinc/39/41/16/555394116.db2.gz MDWUFLVMTRKKGI-UHFFFAOYSA-N -1 3 452.410 4.960 40 0 JJABHM COc1ccc(N2OC3=C([O-])N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@@H]2c2ccccc2)cc1 ZINC000013582423 555520192 /nfs/dbraw/zinc/52/01/92/555520192.db2.gz CWWKVNPKUFVXGT-BHIFYINESA-N -1 3 479.330 4.509 40 0 JJABHM O=C(Nc1cc(F)ccc1F)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000019931222 555548632 /nfs/dbraw/zinc/54/86/32/555548632.db2.gz LPFWDBVSUXIKPC-IBGZPJMESA-N -1 3 485.339 4.800 40 0 JJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1cccc(Cl)c1C ZINC000020009625 555585279 /nfs/dbraw/zinc/58/52/79/555585279.db2.gz ODPCNVYPYNVEFG-FQEVSTJZSA-N -1 3 493.412 4.839 40 0 JJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1cccc(SC)c1 ZINC000020009799 555585565 /nfs/dbraw/zinc/58/55/65/555585565.db2.gz ZGHMTBAIXWDLNZ-FQEVSTJZSA-N -1 3 491.034 4.599 40 0 JJABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3F)cc2)c1 ZINC000020020170 555596588 /nfs/dbraw/zinc/59/65/88/555596588.db2.gz CBVWVJLTAUPNHW-UHFFFAOYSA-N -1 3 464.465 4.539 40 0 JJABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc2)c1 ZINC000020020255 555596857 /nfs/dbraw/zinc/59/68/57/555596857.db2.gz ZNLGPVXDPRKPIE-UHFFFAOYSA-N -1 3 482.455 4.971 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)Nc1ccc(F)c(F)c1 ZINC000020020899 555597855 /nfs/dbraw/zinc/59/78/55/555597855.db2.gz NSMAMLLHOAMXAX-UHFFFAOYSA-N -1 3 497.317 4.546 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000020020732 555597880 /nfs/dbraw/zinc/59/78/80/555597880.db2.gz BFIXBLVXECVEDK-UHFFFAOYSA-N -1 3 486.418 4.802 40 0 JJABHM COc1cccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)c1OC ZINC000013750883 555609594 /nfs/dbraw/zinc/60/95/94/555609594.db2.gz IJMYYCGLMIZEQX-OBDYRVMHSA-N -1 3 480.520 4.908 40 0 JJABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)c(OCC)c2)cc1 ZINC000013759245 555612285 /nfs/dbraw/zinc/61/22/85/555612285.db2.gz FRXKTFLXEFCHHX-ZNZIZOMTSA-N -1 3 488.540 4.631 40 0 JJABHM Cc1nccn1-c1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000020108286 555643208 /nfs/dbraw/zinc/64/32/08/555643208.db2.gz VEUYZXZUCWWVQP-UHFFFAOYSA-N -1 3 488.613 4.837 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)cc1 ZINC000014006924 555668521 /nfs/dbraw/zinc/66/85/21/555668521.db2.gz XMIUNUJHUVARJI-OAHLLOKOSA-N -1 3 460.939 4.555 40 0 JJABHM COc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC000010388023 555704608 /nfs/dbraw/zinc/70/46/08/555704608.db2.gz OXOQDIKGEPUQQN-SFHVURJKSA-N -1 3 454.548 4.519 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](CC)Oc3ccc(OC)cc3)cc2)cc1 ZINC000014401798 555806866 /nfs/dbraw/zinc/80/68/66/555806866.db2.gz GOAYMHHOUARIDB-DEOSSOPVSA-N -1 3 484.574 4.691 40 0 JJABHM CCOC(=O)c1c(C)c(C(=O)CC)sc1[N-]C(=O)c1cc(-c2ccc(OC)c(OC)c2)on1 ZINC000020572810 555824606 /nfs/dbraw/zinc/82/46/06/555824606.db2.gz RCICSBDIRBCJED-UHFFFAOYSA-N -1 3 472.519 4.750 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 ZINC000015439154 555909224 /nfs/dbraw/zinc/90/92/24/555909224.db2.gz ONOZUCRQOHUSCX-UHFFFAOYSA-N -1 3 461.337 4.511 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4cc3OC)cc2)cc1 ZINC000015439208 555909247 /nfs/dbraw/zinc/90/92/47/555909247.db2.gz VFSRNTAFRIMCFZ-UHFFFAOYSA-N -1 3 462.527 4.910 40 0 JJABHM CC(C)(C)c1ccc(Cn2nnc3c2nc([C@@H]2CCCN(C(=O)CCC4CCCC4)C2)[n-]c3=O)cc1 ZINC000013083415 556279934 /nfs/dbraw/zinc/27/99/34/556279934.db2.gz ZMQLGNXLYFCWBJ-OAQYLSRUSA-N -1 3 490.652 4.949 40 0 JJABHM Cc1ccc(C(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4c(Cl)cccc4Cl)c(=O)[n-]3)C2)cc1 ZINC000013083648 556280319 /nfs/dbraw/zinc/28/03/19/556280319.db2.gz GNEKCMMUKBDTGD-MRXNPFEDSA-N -1 3 497.386 4.610 40 0 JJABHM Cc1cccc(C(=O)N2CCC[C@H](c3nc4c(nnn4Cc4c(Cl)cccc4Cl)c(=O)[n-]3)C2)c1 ZINC000013083625 556280418 /nfs/dbraw/zinc/28/04/18/556280418.db2.gz RQGVJYVBQLKAJW-INIZCTEOSA-N -1 3 497.386 4.610 40 0 JJABHM CCCCCC(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[n-]2)C1 ZINC000013083596 556280499 /nfs/dbraw/zinc/28/04/99/556280499.db2.gz MWUITIBXIAFBMQ-CQSZACIVSA-N -1 3 477.396 4.568 40 0 JJABHM COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000018130560 556292215 /nfs/dbraw/zinc/29/22/15/556292215.db2.gz MUXSDIFQXNKICF-FSSWDIPSSA-N -1 3 479.330 4.509 40 0 JJABHM COc1ccc(Br)cc1[C@H]1[C@@H]2C(=O)N(c3ccc(C)cc3)C([O-])=C2ON1c1ccccc1 ZINC000018130155 556292230 /nfs/dbraw/zinc/29/22/30/556292230.db2.gz ZYUISDLOMKBHPH-VABKMULXSA-N -1 3 493.357 4.817 40 0 JJABHM Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4Br)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018169372 556297722 /nfs/dbraw/zinc/29/77/22/556297722.db2.gz SLSDYWCIKPKNLR-FKBYEOEOSA-N -1 3 463.331 4.809 40 0 JJABHM COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1OC ZINC000030754639 556372470 /nfs/dbraw/zinc/37/24/70/556372470.db2.gz TYCLPBREBVHUMD-UHFFFAOYSA-N -1 3 474.966 4.729 40 0 JJABHM CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000030850788 556377322 /nfs/dbraw/zinc/37/73/22/556377322.db2.gz HIEITLWPMQELKP-QHCPKHFHSA-N -1 3 468.575 4.909 40 0 JJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)cc2Cl)cc1 ZINC000030856372 556380064 /nfs/dbraw/zinc/38/00/64/556380064.db2.gz OWPPGBDDISMQCS-UHFFFAOYSA-N -1 3 483.977 4.828 40 0 JJABHM C/C=C(/C)C(=O)O[C@H]1C=C(C)C[C@H](OC(=O)c2ccc([O-])cc2)[C@@H]2[C@](O)(C(C)C)CC[C@@]21C ZINC000031157388 556392744 /nfs/dbraw/zinc/39/27/44/556392744.db2.gz NUXKLJINNAOFAH-UZEMRZBHSA-N -1 3 456.579 4.949 40 0 biogenic,in-vitro JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)cc1C ZINC000033567850 569628016 /nfs/dbraw/zinc/62/80/16/569628016.db2.gz JXHXBSCOWUDMLS-UHFFFAOYSA-N -1 3 489.391 4.884 40 0 JJABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(Cl)cc3Cl)cc2)c1 ZINC000034703546 569649335 /nfs/dbraw/zinc/64/93/35/569649335.db2.gz OMTWDUXUTUAHJY-UHFFFAOYSA-N -1 3 479.385 4.798 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Br)c3)cc2)cc1C ZINC000034703430 569649347 /nfs/dbraw/zinc/64/93/47/569649347.db2.gz QZLLXCCUWRYSLW-UHFFFAOYSA-N -1 3 489.391 4.884 40 0 JJABHM O=C(NC1CCCC1)[C@@H](c1ccc2ncccc2c1)N(Cc1ccco1)C(=O)c1ccc([O-])cc1 ZINC000035288793 569679534 /nfs/dbraw/zinc/67/95/34/569679534.db2.gz DOBQNKRJBXEYMY-AREMUKBSSA-N -1 3 469.541 4.976 40 0 JJABHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1C)[C@H]2c1ccccc1 ZINC000090443189 569720799 /nfs/dbraw/zinc/72/07/99/569720799.db2.gz QKGHOTIOQYKHCM-VJBWXMMDSA-N -1 3 490.581 4.901 40 0 JJABHM CCOC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccccc2)cc1 ZINC000096178813 569737011 /nfs/dbraw/zinc/73/70/11/569737011.db2.gz XCAQZBSZLIKKDG-ZRBLBEILSA-N -1 3 476.916 4.568 40 0 JJABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C([O-])=C3ON2c2ccc(OC)cc2)cc1 ZINC000100887878 569774251 /nfs/dbraw/zinc/77/42/51/569774251.db2.gz WBODFGCOJUDTNL-HJOGWXRNSA-N -1 3 478.932 4.717 40 0 JJABHM COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000101029621 569780030 /nfs/dbraw/zinc/78/00/30/569780030.db2.gz MUXSDIFQXNKICF-FKBYEOEOSA-N -1 3 479.330 4.509 40 0 JJABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(OC)ccc2OC)cc1 ZINC000101063787 569780933 /nfs/dbraw/zinc/78/09/33/569780933.db2.gz JSTRPIUJDBQWBQ-NXCFDTQHSA-N -1 3 488.540 4.544 40 0 JJABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(OC)c2)cc1 ZINC000101089921 569782122 /nfs/dbraw/zinc/78/21/22/569782122.db2.gz FTVXESHJNBLTRS-SDHSZQHLSA-N -1 3 458.514 4.535 40 0 JJABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC(F)(F)F)cc2)cc1 ZINC000101202017 569786966 /nfs/dbraw/zinc/78/69/66/569786966.db2.gz BGTOLEVKKWBDTR-FSSWDIPSSA-N -1 3 468.431 4.945 40 0 JJABHM Cc1ccc(CN2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)CC2)cc1 ZINC000039750154 569811245 /nfs/dbraw/zinc/81/12/45/569811245.db2.gz SQDILMGVBAKUJW-UHFFFAOYSA-N -1 3 477.630 4.955 40 0 JJABHM Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Br)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102663052 569815256 /nfs/dbraw/zinc/81/52/56/569815256.db2.gz SLSDYWCIKPKNLR-BHIFYINESA-N -1 3 463.331 4.809 40 0 JJABHM COc1cccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C([O-])=C3ON2c2ccccc2)c1OC ZINC000102722248 569817354 /nfs/dbraw/zinc/81/73/54/569817354.db2.gz FQBIEQVUWIYORW-AOHZBQACSA-N -1 3 478.932 4.717 40 0 JJABHM O=C(Nc1ccc(Cl)cc1Cl)C1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000040399292 569826314 /nfs/dbraw/zinc/82/63/14/569826314.db2.gz IMPSZNPKZWSFHE-GFCCVEGCSA-N -1 3 478.723 4.538 40 0 JJABHM Cc1c(Cl)cccc1NC(=O)C1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[n-]c(=O)c21 ZINC000040399494 569826703 /nfs/dbraw/zinc/82/67/03/569826703.db2.gz STFWFYGTVBFJCJ-ZDUSSCGKSA-N -1 3 492.750 4.847 40 0 JJABHM Cc1ccc(Cl)cc1NC(=O)C1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[n-]c(=O)c21 ZINC000040399490 569826734 /nfs/dbraw/zinc/82/67/34/569826734.db2.gz IHUOCCKZSLAYRW-AWEZNQCLSA-N -1 3 492.750 4.847 40 0 JJABHM O=C(Nc1ccccc1Cl)C1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[n-]c(=O)c21 ZINC000040399551 569826781 /nfs/dbraw/zinc/82/67/81/569826781.db2.gz BBFSRLTYZOHYIY-SNVBAGLBSA-N -1 3 478.723 4.538 40 0 JJABHM O=C([N-]c1nnc(SCc2ccccc2)s1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000104684249 569846123 /nfs/dbraw/zinc/84/61/23/569846123.db2.gz IRWVSYXWJIKUAT-UHFFFAOYSA-N -1 3 495.051 4.521 40 0 JJABHM CCOc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc(Br)c1[O-] ZINC000106766922 569855699 /nfs/dbraw/zinc/85/56/99/569855699.db2.gz QXQMIJCWXUGWQC-ATVHPVEESA-N -1 3 464.337 4.669 40 0 JJABHM CCn1c(SCC(=O)N2c3ccccc3S[C@H]3C=CC=C[C@H]32)nnc1-c1ccccc1[O-] ZINC000109831865 569860628 /nfs/dbraw/zinc/86/06/28/569860628.db2.gz BMCBBQRLSSVXQW-XLIONFOSSA-N -1 3 462.600 4.765 40 0 JJABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2C)cc1 ZINC000138668389 569866161 /nfs/dbraw/zinc/86/61/61/569866161.db2.gz KXBLFULCECQWAW-RJGXRXQPSA-N -1 3 493.357 4.817 40 0 JJABHM COc1ccccc1CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000216452379 569878910 /nfs/dbraw/zinc/87/89/10/569878910.db2.gz SJLOCCDEEQDHLW-UHFFFAOYSA-N -1 3 458.967 4.512 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3cccc4ccccc43)cc2)cc1 ZINC000222703996 569889065 /nfs/dbraw/zinc/88/90/65/569889065.db2.gz ZEXKNTRJKZHMPG-UHFFFAOYSA-N -1 3 490.581 4.735 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(C)c(C)c3)cc2)cc1 ZINC000222706240 569889174 /nfs/dbraw/zinc/88/91/74/569889174.db2.gz MPJLKPJMQOYWOB-UHFFFAOYSA-N -1 3 468.575 4.545 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(C)c(C)c3)c(C)c2)cc1 ZINC000222764817 569890482 /nfs/dbraw/zinc/89/04/82/569890482.db2.gz RQGGMGCIQOSTIB-UHFFFAOYSA-N -1 3 452.576 4.763 40 0 JJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCOc3ccc(Cl)cc3)cc2Cl)cc1 ZINC000224409789 569943754 /nfs/dbraw/zinc/94/37/54/569943754.db2.gz SYHKRBQFRGPHQN-UHFFFAOYSA-N -1 3 479.385 4.911 40 0 JJABHM Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1Cc1ccncc1 ZINC000224593971 569949878 /nfs/dbraw/zinc/94/98/78/569949878.db2.gz FOCZABSYTQWOPY-DQEYMECFSA-N -1 3 455.587 4.826 40 0 JJABHM CN(C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])cc1 ZINC000224611489 569950660 /nfs/dbraw/zinc/95/06/60/569950660.db2.gz ZBYJQPCSAKANOX-RPBOFIJWSA-N -1 3 455.587 4.821 40 0 JJABHM CCn1c(SCC(=O)Nc2ccc(OC(F)F)cc2)nnc1-c1cc(Br)ccc1[O-] ZINC000408599763 569968140 /nfs/dbraw/zinc/96/81/40/569968140.db2.gz KMXDQQQUCAGEQN-UHFFFAOYSA-N -1 3 499.337 4.765 40 0 JJABHM O=C(Nc1ccccc1F)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408601055 569968889 /nfs/dbraw/zinc/96/88/89/569968889.db2.gz DWTSOSTYUXOPRE-LJQANCHMSA-N -1 3 467.349 4.661 40 0 JJABHM O=C(Nc1ccc(F)cc1F)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408605002 569970578 /nfs/dbraw/zinc/97/05/78/569970578.db2.gz MIQQTSRAXMXJNX-LJQANCHMSA-N -1 3 485.339 4.800 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3OC)c(Cl)c2)cc1 ZINC000408636418 569986669 /nfs/dbraw/zinc/98/66/69/569986669.db2.gz QDOQLFNXZVTSFH-UHFFFAOYSA-N -1 3 490.965 4.566 40 0 JJABHM CC(C)C[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccccc1 ZINC000225542838 570004290 /nfs/dbraw/zinc/00/42/90/570004290.db2.gz AZOQSQFAIIJUFM-KRWDZBQOSA-N -1 3 465.000 4.510 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000408674666 570009356 /nfs/dbraw/zinc/00/93/56/570009356.db2.gz BCGCFRCVPVYEPX-UHFFFAOYSA-N -1 3 478.614 4.656 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408674796 570009572 /nfs/dbraw/zinc/00/95/72/570009572.db2.gz CQYLSQKUGGVYCS-UHFFFAOYSA-N -1 3 464.465 4.832 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(F)(F)F)cc3)c(C)c2)cc1 ZINC000408675277 570010119 /nfs/dbraw/zinc/01/01/19/570010119.db2.gz UTZJAZOMDXVRSV-UHFFFAOYSA-N -1 3 494.491 4.841 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1ccccc1Br ZINC000408677097 570010816 /nfs/dbraw/zinc/01/08/16/570010816.db2.gz PZOBAFRGYKSMGD-UHFFFAOYSA-N -1 3 475.364 4.576 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cc(C)cc(C)c3)cc2)cc1 ZINC000408680171 570012084 /nfs/dbraw/zinc/01/20/84/570012084.db2.gz OWXRWZWRASMZQC-GOSISDBHSA-N -1 3 454.548 4.519 40 0 JJABHM CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000408695796 570018078 /nfs/dbraw/zinc/01/80/78/570018078.db2.gz ZNNONADIQPVBSJ-JOCHJYFZSA-N -1 3 468.575 4.909 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4cccc(OC)c4o3)cc2)cc1 ZINC000408700506 570021197 /nfs/dbraw/zinc/02/11/97/570021197.db2.gz GZYYWFHBGNSWIH-UHFFFAOYSA-N -1 3 466.515 4.893 40 0 JJABHM Cc1ccc([C@@H]([N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c2ccccc2)c(C)c1 ZINC000225787087 570021754 /nfs/dbraw/zinc/02/17/54/570021754.db2.gz HIFVOCWRFKQEDU-QFIPXVFZSA-N -1 3 492.626 4.784 40 0 JJABHM COc1cc(/C=C2\SC(Nc3cc(Cl)ccc3C)NC2=O)cc(Br)c1[O-] ZINC000408801501 570045898 /nfs/dbraw/zinc/04/58/98/570045898.db2.gz BADSYCPIUCDDOQ-UHFFFAOYSA-N -1 3 454.753 4.888 40 0 JJABHM CC(C)CN1C(=O)C2(C[C@@H]1Cc1ccc(F)cc1)CCN(Cc1cccc(C(=O)[O-])c1)CC2 ZINC000257206232 570109770 /nfs/dbraw/zinc/10/97/70/570109770.db2.gz BCNDNFSRVHQAJK-DEOSSOPVSA-N -1 3 452.570 4.606 40 0 JJABHM CC(C)CN1C(=O)C2(C[C@H]1Cc1ccc(F)cc1)CCN(Cc1ccccc1C(=O)[O-])CC2 ZINC000257261286 570126744 /nfs/dbraw/zinc/12/67/44/570126744.db2.gz LGOKAZRURRCYRA-HSZRJFAPSA-N -1 3 452.570 4.606 40 0 JJABHM CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CCN(Cc4ccc(-c5ccc(C(=O)[O-])c(O)c5)o4)[C@H]3C[C@@H]21 ZINC000257283810 570133809 /nfs/dbraw/zinc/13/38/09/570133809.db2.gz OZYGQFVNUKXHSL-OTLGMJNYSA-N -1 3 491.540 4.948 40 0 JJABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C[C@H]1CCCO1 ZINC000260919529 570164084 /nfs/dbraw/zinc/16/40/84/570164084.db2.gz LXKJDUBQNCMBGF-HVETUWLQSA-N -1 3 454.983 4.598 40 0 JJABHM O=c1[n-]c(SCc2ccccc2)n[n+]2c1-c1ccccc1N[C@@H]2c1cc([O-])ccc1Br ZINC000261362240 570167597 /nfs/dbraw/zinc/16/75/97/570167597.db2.gz CKFKPALRWCXSQU-NRFANRHFSA-O -1 3 494.394 4.870 40 0 JJABHM CCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1cc(Cl)c([O-])c(OCC)c1 ZINC000261363869 570168304 /nfs/dbraw/zinc/16/83/04/570168304.db2.gz XXFQXRSCNZIAEI-FQEVSTJZSA-O -1 3 459.979 4.759 40 0 JJABHM COc1cc(-c2nc3ccccc3c(=O)[n-]2)cc(I)c1OCc1ccccn1 ZINC000409257555 570187133 /nfs/dbraw/zinc/18/71/33/570187133.db2.gz SWKWWVKIGALINI-UHFFFAOYSA-N -1 3 485.281 4.590 40 0 JJABHM Cn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1cc(Br)ccc1[O-] ZINC000408544058 570192193 /nfs/dbraw/zinc/19/21/93/570192193.db2.gz ROSCQYGHKQYFAB-UHFFFAOYSA-N -1 3 488.194 4.988 40 0 JJABHM O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)Nc1nc(-c2ccccc2)cs1 ZINC000408545630 570192920 /nfs/dbraw/zinc/19/29/20/570192920.db2.gz YITCGVXWNCCRNA-UHFFFAOYSA-N -1 3 488.392 4.794 40 0 JJABHM O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)Nc1nc(-c2ccccc2)cs1 ZINC000408545630 570192921 /nfs/dbraw/zinc/19/29/21/570192921.db2.gz YITCGVXWNCCRNA-UHFFFAOYSA-N -1 3 488.392 4.794 40 0 JJABHM Cc1ccc(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2C)cc1Cl ZINC000408545495 570192952 /nfs/dbraw/zinc/19/29/52/570192952.db2.gz ZFYHFYJEILNLRH-UHFFFAOYSA-N -1 3 467.776 4.643 40 0 JJABHM Cc1ccc(C)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c1 ZINC000408554401 570196220 /nfs/dbraw/zinc/19/62/20/570196220.db2.gz RVSNUKPKYAEDCA-UHFFFAOYSA-N -1 3 489.391 4.884 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)NC1CCCCCCC1 ZINC000408583323 570207228 /nfs/dbraw/zinc/20/72/28/570207228.db2.gz HMAYMXYYNNRDBR-UHFFFAOYSA-N -1 3 450.988 4.749 40 0 JJABHM CCCCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1 ZINC000408584079 570207481 /nfs/dbraw/zinc/20/74/81/570207481.db2.gz LLVXUAUMDKWYJR-UHFFFAOYSA-N -1 3 496.585 4.770 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccccc3)c(Cl)c2)cc1 ZINC000408584455 570207615 /nfs/dbraw/zinc/20/76/15/570207615.db2.gz PWGULUAUYAFQAI-QGZVFWFLSA-N -1 3 458.967 4.705 40 0 JJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1)N1CCCC1 ZINC000408588562 570208556 /nfs/dbraw/zinc/20/85/56/570208556.db2.gz GSZFCYLTCDELST-UHFFFAOYSA-N -1 3 451.548 4.694 40 0 JJABHM COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000408590769 570209092 /nfs/dbraw/zinc/20/90/92/570209092.db2.gz KXGJRVGSGKZNNM-UHFFFAOYSA-N -1 3 478.929 4.614 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(Cl)cc3)cc2)cc1Cl ZINC000408591330 570209194 /nfs/dbraw/zinc/20/91/94/570209194.db2.gz LBQVNIIJUVGZPZ-UHFFFAOYSA-N -1 3 479.385 4.798 40 0 JJABHM O=C(NC1CCCCCC1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408592342 570209429 /nfs/dbraw/zinc/20/94/29/570209429.db2.gz JYWMKBYHJQPSBC-FQEVSTJZSA-N -1 3 469.434 4.722 40 0 JJABHM C[C@H](NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000408592302 570209461 /nfs/dbraw/zinc/20/94/61/570209461.db2.gz JXQYGUYOSJURQM-HRAATJIYSA-N -1 3 477.413 4.760 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3OC)cc2)cc1 ZINC000009886188 195014949 /nfs/dbraw/zinc/01/49/49/195014949.db2.gz FATUPZYYKQDLEK-CAOOACKPSA-N -1 3 452.532 4.547 40 0 JJABHM Nc1nnc(SCc2cc(=O)[n-]c(Nc3nc4ccc(Cl)cc4c(-c4ccccc4)n3)n2)s1 ZINC000020634924 195191782 /nfs/dbraw/zinc/19/17/82/195191782.db2.gz WDDGATMGXFDSAS-UHFFFAOYSA-N -1 3 494.993 4.503 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(I)c3)cc2)cc1 ZINC000059132947 195389624 /nfs/dbraw/zinc/38/96/24/195389624.db2.gz GGCHPDJKTQUNNW-UHFFFAOYSA-N -1 3 492.338 4.653 40 0 JJABHM CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1[O-] ZINC000036612800 520777312 /nfs/dbraw/zinc/77/73/12/520777312.db2.gz NDOXRDNPBQPGOM-KRWDZBQOSA-N -1 3 469.847 4.730 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(F)cc3)c(C)c2)cc1 ZINC000022537377 521134555 /nfs/dbraw/zinc/13/45/55/521134555.db2.gz RLQHVSQRHKZDHW-GOSISDBHSA-N -1 3 486.565 4.590 40 0 JJABHM CCOC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)c1 ZINC000020492350 521543638 /nfs/dbraw/zinc/54/36/38/521543638.db2.gz FKNQNINMYUCUGF-UHFFFAOYSA-N -1 3 458.923 4.570 40 0 JJABHM COC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(-c2cc3ccccc3cc2[O-])n1C ZINC000012474650 521753773 /nfs/dbraw/zinc/75/37/73/521753773.db2.gz LGSXOSMBGPHSEI-UHFFFAOYSA-N -1 3 482.587 4.537 40 0 JJABHM CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000020460289 522884647 /nfs/dbraw/zinc/88/46/47/522884647.db2.gz ZELZKFZLPYXCNE-QFIPXVFZSA-N -1 3 474.966 4.946 40 0 JJABHM CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000020460288 523052217 /nfs/dbraw/zinc/05/22/17/523052217.db2.gz ZELZKFZLPYXCNE-JOCHJYFZSA-N -1 3 474.966 4.946 40 0 JJABHM CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000022515431 523053143 /nfs/dbraw/zinc/05/31/43/523053143.db2.gz AISUNQLQFYEVCC-HSZRJFAPSA-N -1 3 468.575 4.909 40 0 JJABHM COc1ccc(-c2csc(NC([S-])=NC(=O)C(Cl)(Cl)Cl)n2)cc1Br ZINC000016226738 523170961 /nfs/dbraw/zinc/17/09/61/523170961.db2.gz UCLRMQOROZKHFM-UHFFFAOYSA-N -1 3 489.631 4.764 40 0 JJABHM COc1ccc(-c2csc(NC(=S)[N-]C(=O)C(Cl)(Cl)Cl)n2)cc1Br ZINC000016226738 523170966 /nfs/dbraw/zinc/17/09/66/523170966.db2.gz UCLRMQOROZKHFM-UHFFFAOYSA-N -1 3 489.631 4.764 40 0 JJABHM COc1ccc(OC[C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000020494169 524969320 /nfs/dbraw/zinc/96/93/20/524969320.db2.gz VCURYMUBVVMCBQ-QGZVFWFLSA-N -1 3 488.993 4.655 40 0 JJABHM COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1OC ZINC000020455576 525102538 /nfs/dbraw/zinc/10/25/38/525102538.db2.gz HUWXOZINJCVMLK-UHFFFAOYSA-N -1 3 493.006 4.889 40 0 JJABHM COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1OC ZINC000044880651 525103857 /nfs/dbraw/zinc/10/38/57/525103857.db2.gz NQAPGQZFWDUWFW-UHFFFAOYSA-N -1 3 486.615 4.852 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3cc(C)c(C)cc3C)cc2)cc1 ZINC000022536840 525301356 /nfs/dbraw/zinc/30/13/56/525301356.db2.gz XUKUDTHEEVHGCT-OAQYLSRUSA-N -1 3 466.603 4.977 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3)cc2)cc1Cl ZINC000020021104 525301779 /nfs/dbraw/zinc/30/17/79/525301779.db2.gz BZIPVECFAIHINV-UHFFFAOYSA-N -1 3 466.893 4.745 40 0 JJABHM Cc1cc([O-])c(-c2n[nH]c3c2[C@H](c2cccc(-c4ccccc4)c2)N(CCO)C3=O)cc1Cl ZINC000016778780 525308024 /nfs/dbraw/zinc/30/80/24/525308024.db2.gz WWNNAGFHWFNQPZ-VWLOTQADSA-N -1 3 459.933 4.949 40 0 JJABHM Cc1cc([O-])c(-c2n[nH]c3c2[C@@H](c2cccc(-c4ccccc4)c2)N(CCO)C3=O)cc1Cl ZINC000016778782 525308315 /nfs/dbraw/zinc/30/83/15/525308315.db2.gz WWNNAGFHWFNQPZ-RUZDIDTESA-N -1 3 459.933 4.949 40 0 JJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCSCc3ccco3)cc2Cl)cc1 ZINC000020487326 525600665 /nfs/dbraw/zinc/60/06/65/525600665.db2.gz CRJCYKHSTUHXRM-UHFFFAOYSA-N -1 3 464.996 4.705 40 0 JJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)NC(C)C)cc2Cl)cc1 ZINC000044904186 525602780 /nfs/dbraw/zinc/60/27/80/525602780.db2.gz KQBKMTIRSAVAJD-UHFFFAOYSA-N -1 3 485.993 4.840 40 0 JJABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Br)cc2)cc1 ZINC000002199247 554090460 /nfs/dbraw/zinc/09/04/60/554090460.db2.gz KVVBYYXTADNERO-BDTNDASRSA-N -1 3 479.330 4.509 40 0 JJABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Br)cc2)cc1 ZINC000008915882 554809970 /nfs/dbraw/zinc/80/99/70/554809970.db2.gz DZYCNEOIDRKCLN-BDTNDASRSA-N -1 3 463.331 4.809 40 0 JJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000009062824 554880382 /nfs/dbraw/zinc/88/03/82/554880382.db2.gz HGKPJYMRXSKJFH-UHFFFAOYSA-N -1 3 484.021 4.992 40 0 JJABHM Cc1ccc(CN2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)CC2)cc1 ZINC000009063146 554880815 /nfs/dbraw/zinc/88/08/15/554880815.db2.gz MMBGITHNQCSCJL-UHFFFAOYSA-N -1 3 463.603 4.647 40 0 JJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000009063419 554881064 /nfs/dbraw/zinc/88/10/64/554881064.db2.gz DPNWVOJJZARCKZ-UHFFFAOYSA-N -1 3 484.021 4.992 40 0 JJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000009063325 554881130 /nfs/dbraw/zinc/88/11/30/554881130.db2.gz UNLTXIBUSYCCHY-UHFFFAOYSA-N -1 3 484.021 4.992 40 0 JJABHM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(Cc4ccccc4F)CC3)cc2)c1 ZINC000009063510 554881317 /nfs/dbraw/zinc/88/13/17/554881317.db2.gz YAERINZVWUMWTI-UHFFFAOYSA-N -1 3 481.593 4.786 40 0 JJABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(OC)c2)cc1 ZINC000009191501 554963662 /nfs/dbraw/zinc/96/36/62/554963662.db2.gz FTVXESHJNBLTRS-GVAUOCQISA-N -1 3 458.514 4.535 40 0 JJABHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Br)cc2)cc1 ZINC000009290703 555065165 /nfs/dbraw/zinc/06/51/65/555065165.db2.gz OXTBQFFIMWQXLJ-ZLNRFVROSA-N -1 3 493.357 4.899 40 0 JJABHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2c(F)cccc2Cl)c1 ZINC000009345835 555112190 /nfs/dbraw/zinc/11/21/90/555112190.db2.gz GTHLNEAZSXTCLN-VSKRKVRLSA-N -1 3 452.869 4.539 40 0 JJABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Br)cc2)cc1 ZINC000013582843 555520393 /nfs/dbraw/zinc/52/03/93/555520393.db2.gz KVVBYYXTADNERO-FSSWDIPSSA-N -1 3 479.330 4.509 40 0 JJABHM CCc1cccc(C)c1NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000020009549 555584850 /nfs/dbraw/zinc/58/48/50/555584850.db2.gz XMLROMZRLBKZLQ-OAQYLSRUSA-N -1 3 487.021 4.748 40 0 JJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1C ZINC000020009637 555585239 /nfs/dbraw/zinc/58/52/39/555585239.db2.gz VFZFOXFDQSOMBU-FQEVSTJZSA-N -1 3 493.412 4.839 40 0 JJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1SC ZINC000020009900 555585987 /nfs/dbraw/zinc/58/59/87/555585987.db2.gz RCBOTRFJYSJKBU-IBGZPJMESA-N -1 3 491.034 4.599 40 0 JJABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H]3CCCc4ccccc43)cc2)c1 ZINC000020020293 555596896 /nfs/dbraw/zinc/59/68/96/555596896.db2.gz NKLQAEJUFHEECR-VWLOTQADSA-N -1 3 464.587 4.677 40 0 JJABHM CSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1 ZINC000020020230 555596953 /nfs/dbraw/zinc/59/69/53/555596953.db2.gz ORCLIPRNCXIMKH-GOSISDBHSA-N -1 3 470.616 4.774 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)Nc1ccc(F)c(F)c1 ZINC000020020936 555597884 /nfs/dbraw/zinc/59/78/84/555597884.db2.gz DIAOWNKNEBZIHK-UHFFFAOYSA-N -1 3 486.418 4.802 40 0 JJABHM CSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000020020705 555597889 /nfs/dbraw/zinc/59/78/89/555597889.db2.gz CYNZYHGZTONBBC-INIZCTEOSA-N -1 3 474.579 4.605 40 0 JJABHM COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1 ZINC000020021061 555598194 /nfs/dbraw/zinc/59/81/94/555598194.db2.gz RCRXNZIZDYICQU-QGZVFWFLSA-N -1 3 488.993 4.714 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000020022300 555599705 /nfs/dbraw/zinc/59/97/05/555599705.db2.gz NPEHEHZQYQBGQU-KRWDZBQOSA-N -1 3 458.967 4.705 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000020022427 555599900 /nfs/dbraw/zinc/59/99/00/555599900.db2.gz MDJACNCULGMZSF-INIZCTEOSA-N -1 3 476.957 4.845 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3F)c(C)c2)cc1C ZINC000020022600 555600262 /nfs/dbraw/zinc/60/02/62/555600262.db2.gz ZLLUNCKHNFBTLE-UHFFFAOYSA-N -1 3 478.492 4.847 40 0 JJABHM COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1OC ZINC000020105278 555638744 /nfs/dbraw/zinc/63/87/44/555638744.db2.gz KRHFPBOSEQEZJP-QGZVFWFLSA-N -1 3 486.615 4.932 40 0 JJABHM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000020111765 555649025 /nfs/dbraw/zinc/64/90/25/555649025.db2.gz KIKYIJGOPUDYBR-KRWDZBQOSA-N -1 3 456.589 4.924 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(C)c3)cc2)cc1 ZINC000013992615 555668008 /nfs/dbraw/zinc/66/80/08/555668008.db2.gz BTLLNUIUTZNEGJ-SFHVURJKSA-N -1 3 454.548 4.601 40 0 JJABHM COc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1 ZINC000014006298 555668245 /nfs/dbraw/zinc/66/82/45/555668245.db2.gz XYQUFXSBYPYEPP-GOSISDBHSA-N -1 3 454.548 4.519 40 0 JJABHM CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000014013198 555670283 /nfs/dbraw/zinc/67/02/83/555670283.db2.gz FFRBWNPTHHIRCY-HSZRJFAPSA-N -1 3 454.548 4.601 40 0 JJABHM CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000014022255 555673402 /nfs/dbraw/zinc/67/34/02/555673402.db2.gz XAXHYLMEQPTITD-HSZRJFAPSA-N -1 3 454.548 4.601 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)cc2)cc1 ZINC000020323521 555771715 /nfs/dbraw/zinc/77/17/15/555771715.db2.gz SZLQJIMKRAPSHV-LJQANCHMSA-N -1 3 468.575 4.909 40 0 JJABHM COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(C)cc(C)c4o3)c2)c1 ZINC000014275152 555779660 /nfs/dbraw/zinc/77/96/60/555779660.db2.gz BJUTYSPZOWKUMA-UHFFFAOYSA-N -1 3 477.542 4.961 40 0 JJABHM CCOC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2cccs2)cc1 ZINC000012017521 555885274 /nfs/dbraw/zinc/88/52/74/555885274.db2.gz PKKVEPJHYSGKOU-ACRUOGEOSA-N -1 3 482.945 4.629 40 0 JJABHM Cc1cc2sc(NC(=S)[N-]C(=O)COc3ccc(Br)cc3)nc2cc1Cl ZINC000016284241 556132812 /nfs/dbraw/zinc/13/28/12/556132812.db2.gz WUFVCGSQGUHQRG-UHFFFAOYSA-N -1 3 470.801 4.913 40 0 JJABHM CSc1ccc(S(=O)(=O)[N-]c2ccccc2Br)cc1C(=O)N1CCCCC1 ZINC000026115825 556246075 /nfs/dbraw/zinc/24/60/75/556246075.db2.gz VWCOZXAUYOPXBB-UHFFFAOYSA-N -1 3 469.426 4.598 40 0 JJABHM CSc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1C(=O)N1CCOCC1 ZINC000026118004 556247605 /nfs/dbraw/zinc/24/76/05/556247605.db2.gz GSAZGVBKYSZITD-UHFFFAOYSA-N -1 3 495.837 4.642 40 0 JJABHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCCC3)c2)c1 ZINC000026120597 556249246 /nfs/dbraw/zinc/24/92/46/556249246.db2.gz HOLWBSJNRIWCCU-UHFFFAOYSA-N -1 3 497.038 4.666 40 0 JJABHM CCCCCC(=O)N1CCC(c2nc3c(nnn3Cc3ccc(Cl)cc3Cl)c(=O)[n-]2)CC1 ZINC000013083220 556279417 /nfs/dbraw/zinc/27/94/17/556279417.db2.gz PCWOUJBRZPJOIQ-UHFFFAOYSA-N -1 3 477.396 4.568 40 0 JJABHM Cc1ccc(C(=O)N2CCC(c3nc4c(nnn4Cc4c(Cl)cccc4Cl)c(=O)[n-]3)CC2)cc1 ZINC000013083218 556279442 /nfs/dbraw/zinc/27/94/42/556279442.db2.gz ZOPZIIPNWWPGPN-UHFFFAOYSA-N -1 3 497.386 4.610 40 0 JJABHM CCCCCCC(=O)N1CCC[C@H](c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[n-]2)C1 ZINC000013083602 556280247 /nfs/dbraw/zinc/28/02/47/556280247.db2.gz QMDLPTDAMJTFSF-HNNXBMFYSA-N -1 3 491.423 4.958 40 0 JJABHM CCCCCC(=O)N1CCC[C@H](c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[n-]2)C1 ZINC000013083598 556280426 /nfs/dbraw/zinc/28/04/26/556280426.db2.gz MWUITIBXIAFBMQ-AWEZNQCLSA-N -1 3 477.396 4.568 40 0 JJABHM COc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc(Br)c1[O-] ZINC000028963764 556344929 /nfs/dbraw/zinc/34/49/29/556344929.db2.gz QDPBJXNIJTZQKD-OQLLNIDSSA-N -1 3 452.351 4.578 40 0 JJABHM C/C=C(/C)C(=O)O[C@H]1C=C(C)C[C@H](OC(=O)c2ccc([O-])cc2)[C@H]2[C@](O)(C(C)C)CC[C@@]21C ZINC000031157383 556392703 /nfs/dbraw/zinc/39/27/03/556392703.db2.gz NUXKLJINNAOFAH-JQDHRTQZSA-N -1 3 456.579 4.949 40 0 biogenic,in-vitro JJABHM COc1cccc2[nH]c(C[C@H]3CN(Cc4ccccc4OC(F)(F)F)CC[C@H]3CC(=O)[O-])nc21 ZINC000514289742 560031770 /nfs/dbraw/zinc/03/17/70/560031770.db2.gz ZUBSSUURFDVKAQ-RDJZCZTQSA-N -1 3 477.483 4.626 40 0 biogenic,in-vitro JJABHM O=C(NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1)c1ccc2nsnc2c1 ZINC000059294386 569602512 /nfs/dbraw/zinc/60/25/12/569602512.db2.gz HTWAHYBDHKXHLO-UHFFFAOYSA-N -1 3 463.569 4.800 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000033396106 569625616 /nfs/dbraw/zinc/62/56/16/569625616.db2.gz VRRBMWXEXBTISB-UHFFFAOYSA-N -1 3 480.464 4.532 40 0 JJABHM Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c1C ZINC000034705351 569649493 /nfs/dbraw/zinc/64/94/93/569649493.db2.gz GQWACMQXNCTXIS-UHFFFAOYSA-N -1 3 489.391 4.884 40 0 JJABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000035103904 569674827 /nfs/dbraw/zinc/67/48/27/569674827.db2.gz FIGYBZBCNLMKBX-UHFFFAOYSA-N -1 3 464.465 4.832 40 0 JJABHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(Br)c2)c1 ZINC000095481299 569724724 /nfs/dbraw/zinc/72/47/24/569724724.db2.gz QKZMJQOZAPPNGO-FKBYEOEOSA-N -1 3 479.330 4.509 40 0 JJABHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc(Cl)cc2)N3)N1 ZINC000036008082 569747763 /nfs/dbraw/zinc/74/77/63/569747763.db2.gz REFPUEIFRXQLPG-SUYBPPKGSA-N -1 3 495.811 4.670 40 0 JJABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000100577954 569765203 /nfs/dbraw/zinc/76/52/03/569765203.db2.gz FRWUBWTWOBDLHQ-FSSWDIPSSA-N -1 3 452.869 4.539 40 0 JJABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Br)cc2)cc1 ZINC000100888501 569774440 /nfs/dbraw/zinc/77/44/40/569774440.db2.gz DZYCNEOIDRKCLN-FSSWDIPSSA-N -1 3 463.331 4.809 40 0 JJABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)c(OCC)c2)cc1 ZINC000101101248 569782856 /nfs/dbraw/zinc/78/28/56/569782856.db2.gz FRXKTFLXEFCHHX-GSDHBNRESA-N -1 3 488.540 4.631 40 0 JJABHM COc1ccc(Br)cc1[C@H]1[C@H]2C(=O)N(c3ccc(C)cc3)C([O-])=C2ON1c1ccccc1 ZINC000101207368 569787017 /nfs/dbraw/zinc/78/70/17/569787017.db2.gz ZYUISDLOMKBHPH-VJBWXMMDSA-N -1 3 493.357 4.817 40 0 JJABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000101224891 569787530 /nfs/dbraw/zinc/78/75/30/569787530.db2.gz BVVWUAPNOGNLQI-VABKMULXSA-N -1 3 493.357 4.817 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)Cc3ccccc3)c(Cl)c2)cc1 ZINC000038556554 569805294 /nfs/dbraw/zinc/80/52/94/569805294.db2.gz CNVODTUJGKVOSU-UHFFFAOYSA-N -1 3 488.993 4.577 40 0 JJABHM CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000038757036 569807384 /nfs/dbraw/zinc/80/73/84/569807384.db2.gz OKTVVEXVGCMBHI-INIZCTEOSA-N -1 3 485.993 4.921 40 0 JJABHM COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1OC ZINC000038773083 569807804 /nfs/dbraw/zinc/80/78/04/569807804.db2.gz QXOZKYPFHZHMLB-UHFFFAOYSA-N -1 3 486.615 4.852 40 0 JJABHM Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102705436 569816353 /nfs/dbraw/zinc/81/63/53/569816353.db2.gz FPNWRGDFUMDEGI-BHIFYINESA-N -1 3 463.331 4.809 40 0 JJABHM COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(F)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102707643 569816887 /nfs/dbraw/zinc/81/68/87/569816887.db2.gz PCGMEDOSPGFPJK-FDFHNCONSA-N -1 3 452.869 4.539 40 0 JJABHM COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)c1 ZINC000102728019 569817977 /nfs/dbraw/zinc/81/79/77/569817977.db2.gz PIXHGMNZUYLXTO-KWXIBIRDSA-N -1 3 480.520 4.908 40 0 JJABHM COc1ccc(OC)c([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)c1 ZINC000102728026 569817985 /nfs/dbraw/zinc/81/79/85/569817985.db2.gz PIXHGMNZUYLXTO-GMQQYTKMSA-N -1 3 480.520 4.908 40 0 JJABHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1F)ON(c1ccccc1)[C@@H]2c1ccc(OC(F)(F)F)cc1 ZINC000102759772 569821864 /nfs/dbraw/zinc/82/18/64/569821864.db2.gz GKUKRAQJHRKUNW-HBMCJLEFSA-N -1 3 472.394 4.775 40 0 JJABHM COc1ccc(Br)cc1[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C([O-])=C2ON1c1ccccc1 ZINC000102761197 569822112 /nfs/dbraw/zinc/82/21/12/569822112.db2.gz VNERRIBWWMXGQO-BHIFYINESA-N -1 3 497.320 4.648 40 0 JJABHM CC(=O)Nc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102764391 569822712 /nfs/dbraw/zinc/82/27/12/569822712.db2.gz YQRGJUQFSZDSIT-KWXIBIRDSA-N -1 3 477.520 4.849 40 0 JJABHM O=C(Nc1cccc(Cl)c1Cl)C1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000040399294 569826373 /nfs/dbraw/zinc/82/63/73/569826373.db2.gz DIWCWRKOPFXCMO-NSHDSACASA-N -1 3 478.723 4.538 40 0 JJABHM O=C(Nc1ccc(Cl)cc1Cl)C1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000040399387 569826540 /nfs/dbraw/zinc/82/65/40/569826540.db2.gz DMDBSSDLNWAUGO-LBPRGKRZSA-N -1 3 478.723 4.538 40 0 JJABHM CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1 ZINC000108216705 569859100 /nfs/dbraw/zinc/85/91/00/569859100.db2.gz RCSFSQNMOGYMFF-UHFFFAOYSA-N -1 3 489.391 4.830 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000108252521 569859271 /nfs/dbraw/zinc/85/92/71/569859271.db2.gz CUYILXCMUNZLKF-UHFFFAOYSA-N -1 3 481.357 4.820 40 0 JJABHM O=C1N[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000169689175 569871376 /nfs/dbraw/zinc/87/13/76/569871376.db2.gz PPVREXQSNPWRNV-WFXMLNOXSA-N -1 3 464.827 4.704 40 0 JJABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(C(F)(F)F)cc1)ON(c1ccccc1)[C@H]2c1ccc(F)cc1 ZINC000170621023 569873174 /nfs/dbraw/zinc/87/31/74/569873174.db2.gz MYICIAJQICEUGR-ACRUOGEOSA-N -1 3 456.395 4.896 40 0 JJABHM CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)cc(I)c1[O-] ZINC000214605795 569876767 /nfs/dbraw/zinc/87/67/67/569876767.db2.gz ORLPULZNMYGIPT-LICLKQGHSA-N -1 3 495.338 4.940 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](CC)Oc3cccc(OC)c3)cc2)cc1 ZINC000216348047 569878380 /nfs/dbraw/zinc/87/83/80/569878380.db2.gz NUXKWMXDGHQBOM-DEOSSOPVSA-N -1 3 484.574 4.691 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(C)c(C)c3)cc2)cc1C ZINC000222682098 569888424 /nfs/dbraw/zinc/88/84/24/569888424.db2.gz CLDPICHOBZVUDI-UHFFFAOYSA-N -1 3 452.576 4.763 40 0 JJABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3cccc4ccccc43)cc2)c1 ZINC000222686899 569888518 /nfs/dbraw/zinc/88/85/18/569888518.db2.gz FJHITXVKSSNWGT-UHFFFAOYSA-N -1 3 474.582 4.953 40 0 JJABHM Cc1ccc(-c2nnc([N-]C(=O)c3cc(S(=O)(=O)N4CCCCCC4)ccc3Cl)s2)cc1 ZINC000222699715 569888907 /nfs/dbraw/zinc/88/89/07/569888907.db2.gz FILNOYITBGCRBZ-UHFFFAOYSA-N -1 3 491.038 4.984 40 0 JJABHM C[C@H]1Cc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000222728303 569889646 /nfs/dbraw/zinc/88/96/46/569889646.db2.gz VLRCPBKYWJLLPG-INIZCTEOSA-N -1 3 490.503 4.863 40 0 JJABHM COc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000222730598 569889722 /nfs/dbraw/zinc/88/97/22/569889722.db2.gz OKPRMNIYLDGPPR-UHFFFAOYSA-N -1 3 494.491 4.557 40 0 JJABHM CN(C(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccccc1 ZINC000222730517 569889739 /nfs/dbraw/zinc/88/97/39/569889739.db2.gz GLQYLBIIEKFTFS-UHFFFAOYSA-N -1 3 464.465 4.548 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)Cc3ccccc3F)cc2)cc1Cl ZINC000222738124 569889904 /nfs/dbraw/zinc/88/99/04/569889904.db2.gz IPOFRXKKBBXQMX-UHFFFAOYSA-N -1 3 476.957 4.626 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(F)cc3)cc2)cc1Cl ZINC000222740804 569890040 /nfs/dbraw/zinc/89/00/40/569890040.db2.gz WFBPMBASHYIMOM-UHFFFAOYSA-N -1 3 462.930 4.630 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3c4ccccc4C[C@@H]3C)c(C)c2)cc1 ZINC000222806501 569891543 /nfs/dbraw/zinc/89/15/43/569891543.db2.gz SXTFZEIGQXDEHP-IBGZPJMESA-N -1 3 480.586 4.551 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc4sncc4c3)c(C)c2)cc1 ZINC000222807169 569891547 /nfs/dbraw/zinc/89/15/47/569891547.db2.gz YZFBLDXLHULUCA-UHFFFAOYSA-N -1 3 497.598 4.822 40 0 JJABHM Cc1ccc(C)c([C@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)c1 ZINC000223044443 569897613 /nfs/dbraw/zinc/89/76/13/569897613.db2.gz LRTQYWUWILRIKY-LBPRGKRZSA-N -1 3 485.418 4.754 40 0 JJABHM CC(C)(C)c1ccc(-c2noc(C[N-]S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000223631196 569918426 /nfs/dbraw/zinc/91/84/26/569918426.db2.gz PIEOBPOBCIHGMY-UHFFFAOYSA-N -1 3 454.379 4.961 40 0 JJABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccccc1 ZINC000224284881 569939331 /nfs/dbraw/zinc/93/93/31/569939331.db2.gz IRXQYHIXNFQJBS-OAHLLOKOSA-N -1 3 471.391 4.527 40 0 JJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCOc3ccc(C)cc3C)cc2Cl)cc1 ZINC000224410866 569943730 /nfs/dbraw/zinc/94/37/30/569943730.db2.gz GUBAMXDPPQISFQ-UHFFFAOYSA-N -1 3 472.994 4.875 40 0 JJABHM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000224428136 569944249 /nfs/dbraw/zinc/94/42/49/569944249.db2.gz FSUYZJMBIWAAQA-UHFFFAOYSA-N -1 3 483.402 4.549 40 0 JJABHM COC(=O)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])cc1 ZINC000224623440 569951199 /nfs/dbraw/zinc/95/11/99/569951199.db2.gz IBNBVCDWANRWRG-DNQXCXABSA-N -1 3 470.554 4.542 40 0 JJABHM COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1[O-] ZINC000224623137 569951228 /nfs/dbraw/zinc/95/12/28/569951228.db2.gz UZARNWXPLNFEGJ-BJKOFHAPSA-N -1 3 470.554 4.542 40 0 JJABHM CCn1c(SCC(=O)Nc2ccccc2OC(F)F)nnc1-c1cc(Br)ccc1[O-] ZINC000408599052 569967993 /nfs/dbraw/zinc/96/79/93/569967993.db2.gz DEBLEXKSUZVXSV-UHFFFAOYSA-N -1 3 499.337 4.765 40 0 JJABHM CCn1c(SCC(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)nnc1-c1ccccc1[O-] ZINC000408599949 569968330 /nfs/dbraw/zinc/96/83/30/569968330.db2.gz PKNDKGVJKYTLIX-UHFFFAOYSA-N -1 3 487.585 4.962 40 0 JJABHM CCOc1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000408610849 569972566 /nfs/dbraw/zinc/97/25/66/569972566.db2.gz WGZIZQGOAGWNNM-NRFANRHFSA-N -1 3 493.412 4.920 40 0 JJABHM CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c3cc(Cl)ccc3OC)ccc21 ZINC000408617791 569976387 /nfs/dbraw/zinc/97/63/87/569976387.db2.gz DCYXUTJKMANWEQ-OAHLLOKOSA-N -1 3 485.993 4.782 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1 ZINC000408636879 569987106 /nfs/dbraw/zinc/98/71/06/569987106.db2.gz VKZZZZXMJADQLM-UHFFFAOYSA-N -1 3 474.966 4.784 40 0 JJABHM O=C([N-]N1C(=O)[C@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)c1ccccc1Cl ZINC000408659677 569999758 /nfs/dbraw/zinc/99/97/58/569999758.db2.gz OZKAUPNJQLTIGM-KVEMZPMDSA-N -1 3 497.765 4.578 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(C)c2)cc1 ZINC000408674606 570009249 /nfs/dbraw/zinc/00/92/49/570009249.db2.gz CEOWUULPQWHIFW-UHFFFAOYSA-N -1 3 468.575 4.829 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCCCC3)c(C)c2)cc1 ZINC000408675251 570010106 /nfs/dbraw/zinc/01/01/06/570010106.db2.gz UBDMTLQLKDLQJU-UHFFFAOYSA-N -1 3 474.623 4.802 40 0 JJABHM COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C ZINC000408675419 570010273 /nfs/dbraw/zinc/01/02/73/570010273.db2.gz YLKIRZHRKXOOLN-UHFFFAOYSA-N -1 3 468.575 4.747 40 0 JJABHM COc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000408679176 570011605 /nfs/dbraw/zinc/01/16/05/570011605.db2.gz IUYICZHFTKCHTI-OAHLLOKOSA-N -1 3 460.939 4.555 40 0 JJABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1C(=O)N1CCCCC1 ZINC000408692983 570015806 /nfs/dbraw/zinc/01/58/06/570015806.db2.gz AAKUVHFKSFPQNO-UHFFFAOYSA-N -1 3 466.559 4.914 40 0 JJABHM O=c1sc2cc(S(=O)(=O)[N-]c3ccccc3Br)ccc2n1Cc1ccccc1 ZINC000225739286 570018856 /nfs/dbraw/zinc/01/88/56/570018856.db2.gz LDVMSRNHUAVALI-UHFFFAOYSA-N -1 3 475.389 4.675 40 0 JJABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1NC(=O)CC ZINC000408697672 570019447 /nfs/dbraw/zinc/01/94/47/570019447.db2.gz KWMAHFPWMASFQM-UHFFFAOYSA-N -1 3 454.548 4.814 40 0 JJABHM Cc1ccc([C@H]([N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3C)s2)c2ccccc2)c(C)c1 ZINC000225787105 570021750 /nfs/dbraw/zinc/02/17/50/570021750.db2.gz HIFVOCWRFKQEDU-JOCHJYFZSA-N -1 3 492.626 4.784 40 0 JJABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408705367 570024613 /nfs/dbraw/zinc/02/46/13/570024613.db2.gz DCTJFSGUNSWKQP-UHFFFAOYSA-N -1 3 494.613 4.947 40 0 JJABHM COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC000408705618 570024732 /nfs/dbraw/zinc/02/47/32/570024732.db2.gz KBSBELRNDZORLB-UHFFFAOYSA-N -1 3 468.575 4.911 40 0 JJABHM O=C([C@@H]1[C@@H](c2ccc(Cl)cc2Cl)NC(=O)[N-][C@@]1(O)c1ccc(Cl)cc1)C(F)(F)F ZINC000227032332 570039738 /nfs/dbraw/zinc/03/97/38/570039738.db2.gz CPLRLNTYQAYHPM-JJRVBVJISA-N -1 3 467.658 4.594 40 0 JJABHM CC(C)CN1C(=O)C2(C[C@H]1Cc1ccc(F)cc1)CCN(Cc1cccc(C(=O)[O-])c1)CC2 ZINC000257206233 570109756 /nfs/dbraw/zinc/10/97/56/570109756.db2.gz BCNDNFSRVHQAJK-XMMPIXPASA-N -1 3 452.570 4.606 40 0 JJABHM CCOc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc(I)c1[O-] ZINC000409101321 570128579 /nfs/dbraw/zinc/12/85/79/570128579.db2.gz BAWZQOJGWXHFCI-XGICHPGQSA-N -1 3 475.204 4.907 40 0 JJABHM CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CCN(Cc4ccccc4OCC(=O)[O-])C[C@H]3C[C@H]21 ZINC000257272331 570130375 /nfs/dbraw/zinc/13/03/75/570130375.db2.gz NCAQVEVBQGDPJY-KJFBJOSPSA-N -1 3 471.981 4.943 40 0 JJABHM COc1cccc([C@H]2CN(Cc3ccccc3)C(=O)C23CCN(Cc2cccc(C(=O)[O-])c2)CC3)c1 ZINC000257291609 570135956 /nfs/dbraw/zinc/13/59/56/570135956.db2.gz QHVWLAVAENKWBA-HHHXNRCGSA-N -1 3 484.596 4.802 40 0 JJABHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc(Cl)c1[O-] ZINC000409175674 570156736 /nfs/dbraw/zinc/15/67/36/570156736.db2.gz ULMUETANFISEQY-ZDLGFXPLSA-N -1 3 460.939 4.736 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000408527894 570186542 /nfs/dbraw/zinc/18/65/42/570186542.db2.gz FWTVZFCWHBDHQV-UHFFFAOYSA-N -1 3 468.428 4.663 40 0 JJABHM Cc1c(C=O)c(-c2nc3ccccc3c(=O)[n-]2)c(C)n1-c1ccc(I)cc1 ZINC000409272733 570189413 /nfs/dbraw/zinc/18/94/13/570189413.db2.gz RXMMEKIDYNIOSP-UHFFFAOYSA-N -1 3 469.282 4.827 40 0 JJABHM O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)Nc1cccc2ccccc21 ZINC000408544291 570192356 /nfs/dbraw/zinc/19/23/56/570192356.db2.gz VBGZTZZBOWLTGZ-UHFFFAOYSA-N -1 3 455.337 4.824 40 0 JJABHM O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)Nc1cccc2ccccc21 ZINC000408544291 570192357 /nfs/dbraw/zinc/19/23/57/570192357.db2.gz VBGZTZZBOWLTGZ-UHFFFAOYSA-N -1 3 455.337 4.824 40 0 JJABHM C[C@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccccc1 ZINC000408550613 570194983 /nfs/dbraw/zinc/19/49/83/570194983.db2.gz DUBCFFHZPIDEDO-INIZCTEOSA-N -1 3 478.492 4.762 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)NCCC1=CCCCC1 ZINC000408553131 570195748 /nfs/dbraw/zinc/19/57/48/570195748.db2.gz OCKSVGACFDEJEY-UHFFFAOYSA-N -1 3 493.423 4.635 40 0 JJABHM Cc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408553249 570195802 /nfs/dbraw/zinc/19/58/02/570195802.db2.gz PLHTUCUQQDPTQG-UHFFFAOYSA-N -1 3 464.465 4.832 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000408559490 570199784 /nfs/dbraw/zinc/19/97/84/570199784.db2.gz XITNIFBVLRWKHC-UHFFFAOYSA-N -1 3 460.939 4.800 40 0 JJABHM CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cc1 ZINC000408562227 570201663 /nfs/dbraw/zinc/20/16/63/570201663.db2.gz YHNZXKOYGBFRKU-UHFFFAOYSA-N -1 3 490.965 4.566 40 0 JJABHM CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2Cl)c1 ZINC000408564512 570202570 /nfs/dbraw/zinc/20/25/70/570202570.db2.gz ZAIHZGQUAMVMBM-UHFFFAOYSA-N -1 3 476.913 4.500 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl)NCc1ccc(Cl)cc1 ZINC000408564459 570202694 /nfs/dbraw/zinc/20/26/94/570202694.db2.gz YLFVATVIRWGLJU-UHFFFAOYSA-N -1 3 483.348 4.629 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCCC3)c(Cl)c2)cc1 ZINC000408584906 570207807 /nfs/dbraw/zinc/20/78/07/570207807.db2.gz WLMAPELKOOJAHL-UHFFFAOYSA-N -1 3 450.988 4.667 40 0 JJABHM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)ccc1OC ZINC000408585373 570207895 /nfs/dbraw/zinc/20/78/95/570207895.db2.gz FTVHCMQGONJINC-UHFFFAOYSA-N -1 3 456.520 4.643 40 0 JJABHM C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000408585507 570207974 /nfs/dbraw/zinc/20/79/74/570207974.db2.gz YTVKGTCNOLEXRN-KRWDZBQOSA-N -1 3 490.984 4.796 40 0 JJABHM CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1Cl ZINC000408588753 570208629 /nfs/dbraw/zinc/20/86/29/570208629.db2.gz DWQOKYBTCRXZFU-UHFFFAOYSA-N -1 3 474.966 4.865 40 0 JJABHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408589468 570208830 /nfs/dbraw/zinc/20/88/30/570208830.db2.gz HVOKMFVQZJMFOQ-MRXNPFEDSA-N -1 3 450.988 4.665 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC3CCCCC3)cc2)cc1Cl ZINC000408590680 570209056 /nfs/dbraw/zinc/20/90/56/570209056.db2.gz KIADZLCHWYMLQS-MRXNPFEDSA-N -1 3 450.988 4.665 40 0 JJABHM O=C(NC1CCCCCC1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408592345 570209451 /nfs/dbraw/zinc/20/94/51/570209451.db2.gz JYWMKBYHJQPSBC-HXUWFJFHSA-N -1 3 469.434 4.722 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCC3=CCCCC3)cc2)cc1Cl ZINC000408592684 570209484 /nfs/dbraw/zinc/20/94/84/570209484.db2.gz OAUVGBLJGLCJHE-UHFFFAOYSA-N -1 3 462.999 4.835 40 0 JJABHM COc1cc(C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4o3)c2)cc(OC)c1OC ZINC000009886320 195014841 /nfs/dbraw/zinc/01/48/41/195014841.db2.gz WYVGBVVBHANNMA-UHFFFAOYSA-N -1 3 493.541 4.661 40 0 JJABHM COCCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1C ZINC000224867430 195470652 /nfs/dbraw/zinc/47/06/52/195470652.db2.gz XQSWSFPVROHHLC-FGZHOGPDSA-N -1 3 456.999 4.682 40 0 JJABHM CC(=O)Nc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)c1 ZINC000020495066 519744074 /nfs/dbraw/zinc/74/40/74/519744074.db2.gz ZPRZUKOFBHMSOB-UHFFFAOYSA-N -1 3 457.939 4.660 40 0 JJABHM COc1ccccc1CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000020453480 524436144 /nfs/dbraw/zinc/43/61/44/524436144.db2.gz XMLDVFKCXDFHNX-UHFFFAOYSA-N -1 3 458.967 4.730 40 0 JJABHM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)c(OC)c1 ZINC000020483752 524636552 /nfs/dbraw/zinc/63/65/52/524636552.db2.gz WVVAINBCBHIJFF-UHFFFAOYSA-N -1 3 460.939 4.719 40 0 JJABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCSCc2c(Cl)cccc2Cl)c(Cl)c1 ZINC000020493651 525216653 /nfs/dbraw/zinc/21/66/53/525216653.db2.gz XDPCPWZLRYVZBP-UHFFFAOYSA-N -1 3 467.827 4.682 40 0 JJABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000020456805 525217584 /nfs/dbraw/zinc/21/75/84/525217584.db2.gz QAUJSAYBYJRHMT-UHFFFAOYSA-N -1 3 467.827 4.682 40 0 JJABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4cc(Cl)cc(Cl)c4)[n-]c(=O)c32)c(Cl)c1 ZINC000040399502 525218879 /nfs/dbraw/zinc/21/88/79/525218879.db2.gz REMRBUXUGRCEDG-ZDUSSCGKSA-N -1 3 492.750 4.847 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000016293282 525302771 /nfs/dbraw/zinc/30/27/71/525302771.db2.gz SUJAFNSLSOUBIO-UHFFFAOYSA-N -1 3 478.614 4.656 40 0 JJABHM COc1ccc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000044901296 525314918 /nfs/dbraw/zinc/31/49/18/525314918.db2.gz BJHMWRWBHFRSGV-INIZCTEOSA-N -1 3 458.967 4.949 40 0 JJABHM COc1ccc([C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1OC ZINC000022510573 525315491 /nfs/dbraw/zinc/31/54/91/525315491.db2.gz VIBJXBNQRBPUDZ-INIZCTEOSA-N -1 3 488.993 4.957 40 0 JJABHM O=C(NCCSCc1ccccc1F)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000022528349 526374082 /nfs/dbraw/zinc/37/40/82/526374082.db2.gz QWZNGCNGRDNQLX-UHFFFAOYSA-N -1 3 478.998 4.943 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000016490420 526967284 /nfs/dbraw/zinc/96/72/84/526967284.db2.gz WDANMDIQQBHFOR-UHFFFAOYSA-N -1 3 450.438 4.524 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1ccc(Cl)cc1Cl ZINC000016490443 526967342 /nfs/dbraw/zinc/96/73/42/526967342.db2.gz WSKGWHXADAWYLR-UHFFFAOYSA-N -1 3 451.331 4.812 40 0 JJABHM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2I)c2ccccc12 ZINC000000823151 553786943 /nfs/dbraw/zinc/78/69/43/553786943.db2.gz GTZACUWFCMFJCY-UHFFFAOYSA-N -1 3 453.301 4.644 40 0 JJABHM O=C([N-]c1nnc(-c2cccnc2)s1)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000002781740 554342178 /nfs/dbraw/zinc/34/21/78/554342178.db2.gz FPMRNEABRWSQDE-UHFFFAOYSA-N -1 3 485.426 4.720 40 0 JJABHM CC(C)(CN1CCCCC1)C(=O)C[C@@H](SCCS(=O)(=O)[O-])c1ccc(Br)cc1 ZINC000005849369 554494942 /nfs/dbraw/zinc/49/49/42/554494942.db2.gz RRGMXASOBKVGMC-GOSISDBHSA-N -1 3 492.501 4.583 40 0 JJABHM COc1ccc(N2OC3=C([O-])N(c4ccc(Cl)c(F)c4)C(=O)[C@@H]3[C@H]2c2ccccc2)cc1 ZINC000009019112 554866795 /nfs/dbraw/zinc/86/67/95/554866795.db2.gz ASXVFWBECPQAOH-YPAWHYETSA-N -1 3 452.869 4.539 40 0 JJABHM CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4C(=O)[O-])[C@@H]3C2=O)cc1 ZINC000009347686 555113640 /nfs/dbraw/zinc/11/36/40/555113640.db2.gz OPXAHFXFFJHGIH-GVAUOCQISA-N -1 3 486.524 4.615 40 0 JJABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000009461496 555229256 /nfs/dbraw/zinc/22/92/56/555229256.db2.gz UCAUEEWOGIPRCQ-CYXNTTPDSA-N -1 3 488.540 4.544 40 0 JJABHM CCOC(=O)c1c([N-]C(=O)c2noc3c2CCc2cc(OC)ccc2-3)sc2c1CCCC2 ZINC000009597956 555415305 /nfs/dbraw/zinc/41/53/05/555415305.db2.gz KUXSXVZCYKVEDC-UHFFFAOYSA-N -1 3 452.532 4.818 40 0 JJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000020009644 555585469 /nfs/dbraw/zinc/58/54/69/555585469.db2.gz CYGJUMATRDEJEI-FQEVSTJZSA-N -1 3 493.412 4.839 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc2)cc1 ZINC000020019886 555596215 /nfs/dbraw/zinc/59/62/15/555596215.db2.gz ZMIJFHDNJPADRG-UHFFFAOYSA-N -1 3 482.455 4.971 40 0 JJABHM C[C@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(Br)cc1 ZINC000020019900 555596262 /nfs/dbraw/zinc/59/62/62/555596262.db2.gz DUBKRFUZDPQBIG-INIZCTEOSA-N -1 3 489.391 4.506 40 0 JJABHM CSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1 ZINC000020020234 555597002 /nfs/dbraw/zinc/59/70/02/555597002.db2.gz ORCLIPRNCXIMKH-SFHVURJKSA-N -1 3 470.616 4.774 40 0 JJABHM COc1ccccc1[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C ZINC000020022388 555599915 /nfs/dbraw/zinc/59/99/15/555599915.db2.gz KDRSNXBENKOPOA-KRWDZBQOSA-N -1 3 488.993 4.714 40 0 JJABHM COc1ccccc1[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C ZINC000020022571 555600223 /nfs/dbraw/zinc/60/02/23/555600223.db2.gz OHKDCECJEOZTFV-HXUWFJFHSA-N -1 3 482.602 4.677 40 0 JJABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cc(OC)ccc2OC)cc1 ZINC000013748418 555607804 /nfs/dbraw/zinc/60/78/04/555607804.db2.gz JSTRPIUJDBQWBQ-GSDHBNRESA-N -1 3 488.540 4.544 40 0 JJABHM CC(=O)c1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(Br)c2)c1 ZINC000013759672 555612535 /nfs/dbraw/zinc/61/25/35/555612535.db2.gz HNZPIYWRPAOGKF-VJBWXMMDSA-N -1 3 491.341 4.703 40 0 JJABHM COc1ccc(OC)c([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4C)C([O-])=C3ON2c2ccccc2)c1 ZINC000013786444 555619172 /nfs/dbraw/zinc/61/91/72/555619172.db2.gz GAZHQWQMDQVGHO-HJOGWXRNSA-N -1 3 478.932 4.717 40 0 JJABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OCC)cc2)cc1 ZINC000013804045 555622664 /nfs/dbraw/zinc/62/26/64/555622664.db2.gz RSUPTSRMDPGAAO-ZNZIZOMTSA-N -1 3 472.541 4.925 40 0 JJABHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000010112664 555626017 /nfs/dbraw/zinc/62/60/17/555626017.db2.gz LHYBNRRDVDFVJQ-UHFFFAOYSA-N -1 3 472.607 4.690 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](CC)Oc3cccc(C)c3)cc2)cc1 ZINC000014022654 555673702 /nfs/dbraw/zinc/67/37/02/555673702.db2.gz BIDKNAPRFXRDGQ-XMMPIXPASA-N -1 3 468.575 4.991 40 0 JJABHM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)cc1 ZINC000010361918 555697147 /nfs/dbraw/zinc/69/71/47/555697147.db2.gz KLIBNYJXCXNTFU-UHFFFAOYSA-N -1 3 479.602 4.653 40 0 JJABHM COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000014397800 555803631 /nfs/dbraw/zinc/80/36/31/555803631.db2.gz BTCSSFAUZSPPSL-UHFFFAOYSA-N -1 3 454.548 4.602 40 0 JJABHM CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000014398281 555803809 /nfs/dbraw/zinc/80/38/09/555803809.db2.gz RMRVDKSGFNJZQY-QHCPKHFHSA-N -1 3 454.548 4.601 40 0 JJABHM CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000022246355 555896417 /nfs/dbraw/zinc/89/64/17/555896417.db2.gz GQMRHQUEXNYQIN-OAQYLSRUSA-N -1 3 477.413 4.542 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000012485359 555987336 /nfs/dbraw/zinc/98/73/36/555987336.db2.gz VWSUZUWUAKDMDZ-UHFFFAOYSA-N -1 3 481.357 4.820 40 0 JJABHM O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000012576320 556075987 /nfs/dbraw/zinc/07/59/87/556075987.db2.gz UEGPUHQYPMXLAJ-UHFFFAOYSA-N -1 3 469.321 4.951 40 0 JJABHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCC(C)CC3)c2)c1 ZINC000026119173 556248312 /nfs/dbraw/zinc/24/83/12/556248312.db2.gz HLVPEYFITOOAFS-UHFFFAOYSA-N -1 3 497.038 4.521 40 0 JJABHM CCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000017781521 556266576 /nfs/dbraw/zinc/26/65/76/556266576.db2.gz PRCFAYVJKTVJGO-SDHOMARFSA-N -1 3 476.504 4.674 40 0 JJABHM CC(C)(C)c1ccc(Cn2nnc3c2nc([C@H]2CCCN(C(=O)CCC4CCCC4)C2)[n-]c3=O)cc1 ZINC000013083418 556279900 /nfs/dbraw/zinc/27/99/00/556279900.db2.gz ZMQLGNXLYFCWBJ-NRFANRHFSA-N -1 3 490.652 4.949 40 0 JJABHM CCCCCC(=O)N1CCC[C@H](c2nc3c(nnn3Cc3ccc(Cl)cc3Cl)c(=O)[n-]2)C1 ZINC000013083657 556280800 /nfs/dbraw/zinc/28/08/00/556280800.db2.gz WIKRMUGYJCTMKZ-HNNXBMFYSA-N -1 3 477.396 4.568 40 0 JJABHM S=c1[n-]nc(CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)n1-c1ccccc1 ZINC000028464769 556333892 /nfs/dbraw/zinc/33/38/92/556333892.db2.gz QDSWJOTYOWKVCI-UHFFFAOYSA-N -1 3 455.631 4.880 40 0 JJABHM Cn1c(C[C@H]2CN(Cc3ccccc3OC(F)(F)F)CC[C@H]2CC(=O)[O-])nc2ccccc21 ZINC000514288498 560034772 /nfs/dbraw/zinc/03/47/72/560034772.db2.gz BMDGALMXLLBCMR-WMZOPIPTSA-N -1 3 461.484 4.627 40 0 biogenic,in-vitro JJABHM CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000033691839 569630755 /nfs/dbraw/zinc/63/07/55/569630755.db2.gz LLNLMGCYEJSAJD-UHFFFAOYSA-N -1 3 452.576 4.938 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)cc1 ZINC000033711289 569631307 /nfs/dbraw/zinc/63/13/07/569631307.db2.gz NVDIESRKRNMOND-UHFFFAOYSA-N -1 3 454.548 4.520 40 0 JJABHM COc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1 ZINC000033803601 569635469 /nfs/dbraw/zinc/63/54/69/569635469.db2.gz JUSWAWAWAPBVBQ-UHFFFAOYSA-N -1 3 474.966 4.784 40 0 JJABHM CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000035128676 569675324 /nfs/dbraw/zinc/67/53/24/569675324.db2.gz QJHRRMLKQXDSEO-UHFFFAOYSA-N -1 3 456.589 4.844 40 0 JJABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Br)c3)cc2)c1 ZINC000035339489 569681305 /nfs/dbraw/zinc/68/13/05/569681305.db2.gz FFJQXGVLCUDPNF-UHFFFAOYSA-N -1 3 489.391 4.884 40 0 JJABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000035403465 569691296 /nfs/dbraw/zinc/69/12/96/569691296.db2.gz ZADBKYLOSKOGJI-UHFFFAOYSA-N -1 3 475.364 4.576 40 0 JJABHM CCOc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccc(Br)c1 ZINC000035843147 569714158 /nfs/dbraw/zinc/71/41/58/569714158.db2.gz ILRRTUNBFQAYMI-ZLNRFVROSA-N -1 3 493.357 4.899 40 0 JJABHM COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(F)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000100948535 569777629 /nfs/dbraw/zinc/77/76/29/569777629.db2.gz PCGMEDOSPGFPJK-FSSWDIPSSA-N -1 3 452.869 4.539 40 0 JJABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(O)c(OCC)c2)cc1 ZINC000101101252 569782828 /nfs/dbraw/zinc/78/28/28/569782828.db2.gz FRXKTFLXEFCHHX-NXCFDTQHSA-N -1 3 488.540 4.631 40 0 JJABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000101186356 569786460 /nfs/dbraw/zinc/78/64/60/569786460.db2.gz WUMVUHCFLQCRAE-FSSWDIPSSA-N -1 3 497.320 4.648 40 0 JJABHM Cc1nccn1-c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1 ZINC000038752825 569806458 /nfs/dbraw/zinc/80/64/58/569806458.db2.gz RTLHUMKYMRMDAA-UHFFFAOYSA-N -1 3 488.613 4.837 40 0 JJABHM CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000038754014 569806744 /nfs/dbraw/zinc/80/67/44/569806744.db2.gz DLLMXISNAYHUIG-OAQYLSRUSA-N -1 3 474.966 4.946 40 0 JJABHM CCOc1ccccc1CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000038754905 569806909 /nfs/dbraw/zinc/80/69/09/569806909.db2.gz IXUYCIQHLKYKSS-UHFFFAOYSA-N -1 3 472.994 4.902 40 0 JJABHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc(C)c(C)c2)N3)N1 ZINC000102654006 569815154 /nfs/dbraw/zinc/81/51/54/569815154.db2.gz DZPFFNRILRVXFC-OGWOLHLISA-N -1 3 489.420 4.633 40 0 JJABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1cccc(Br)c1 ZINC000102717434 569817148 /nfs/dbraw/zinc/81/71/48/569817148.db2.gz DSKQGJXZLGUQBV-ACRUOGEOSA-N -1 3 467.294 4.639 40 0 JJABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000102766664 569823032 /nfs/dbraw/zinc/82/30/32/569823032.db2.gz KCPNSCLXHOLDPK-BHIFYINESA-N -1 3 479.330 4.509 40 0 JJABHM O=C1[C@H]2C(=C([O-])N1c1cccc(C(F)(F)F)c1)ON(c1ccccc1)[C@@H]2c1ccccc1F ZINC000102767904 569823232 /nfs/dbraw/zinc/82/32/32/569823232.db2.gz YZYFGUQOTPCHLL-NJYVYQBISA-N -1 3 456.395 4.896 40 0 JJABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4cc(Cl)cc(Cl)c4)[n-]c(=O)c32)c(Cl)c1 ZINC000040399501 569826738 /nfs/dbraw/zinc/82/67/38/569826738.db2.gz REMRBUXUGRCEDG-CYBMUJFWSA-N -1 3 492.750 4.847 40 0 JJABHM O=C(Nc1ccc(Oc2ccccc2)cc1)C1CC(=O)Nc2nc(Nc3ccc(F)cc3)[n-]c(=O)c21 ZINC000040399666 569826801 /nfs/dbraw/zinc/82/68/01/569826801.db2.gz DCCULPQJVIGTRM-HXUWFJFHSA-N -1 3 485.475 4.509 40 0 JJABHM O=C(Nc1ccc(Cl)cc1)C1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[n-]c(=O)c21 ZINC000040399547 569826811 /nfs/dbraw/zinc/82/68/11/569826811.db2.gz NXVVNQRDXUCYQE-GFCCVEGCSA-N -1 3 478.723 4.538 40 0 JJABHM Cc1c(Cl)cccc1NC(=O)C1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[n-]c(=O)c21 ZINC000040399570 569826829 /nfs/dbraw/zinc/82/68/29/569826829.db2.gz MRDIEWGAXQEWNH-NSHDSACASA-N -1 3 492.750 4.847 40 0 JJABHM CC(C)c1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4cccc(C(F)(F)F)c4)[n-]c(=O)c32)cc1 ZINC000040400243 569827389 /nfs/dbraw/zinc/82/73/89/569827389.db2.gz KRWGXXMJNRVRBK-QGZVFWFLSA-N -1 3 485.466 4.720 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)Nc1cccc(Br)c1 ZINC000107826870 569857519 /nfs/dbraw/zinc/85/75/19/569857519.db2.gz WLWFQVRLKBMUJJ-UHFFFAOYSA-N -1 3 495.782 4.921 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000108282196 569859401 /nfs/dbraw/zinc/85/94/01/569859401.db2.gz AOHAFHUSWJRWQU-UHFFFAOYSA-N -1 3 460.939 4.557 40 0 JJABHM CCn1c(SCC(=O)N2c3ccccc3S[C@@H]3C=CC=C[C@H]32)nnc1-c1ccccc1[O-] ZINC000109831867 569860664 /nfs/dbraw/zinc/86/06/64/569860664.db2.gz BMCBBQRLSSVXQW-YLJYHZDGSA-N -1 3 462.600 4.765 40 0 JJABHM CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc(Br)c1[O-] ZINC000214222106 569876458 /nfs/dbraw/zinc/87/64/58/569876458.db2.gz DRBCWRTXYXYLNF-CXUHLZMHSA-N -1 3 452.301 4.929 40 0 JJABHM CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3)c2)cc1 ZINC000216345587 569878417 /nfs/dbraw/zinc/87/84/17/569878417.db2.gz QDNTZKAQPNMGNQ-UHFFFAOYSA-N -1 3 450.560 4.839 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](CC)Oc3cccc(OC)c3)cc2)cc1 ZINC000216347998 569878441 /nfs/dbraw/zinc/87/84/41/569878441.db2.gz NUXKWMXDGHQBOM-XMMPIXPASA-N -1 3 484.574 4.691 40 0 JJABHM COc1cccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)c1 ZINC000216370469 569878520 /nfs/dbraw/zinc/87/85/20/569878520.db2.gz KLOYDVRSRJTROX-GOSISDBHSA-N -1 3 454.548 4.519 40 0 JJABHM CCOc1cccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)c1 ZINC000216371604 569878526 /nfs/dbraw/zinc/87/85/26/569878526.db2.gz YFTVCGRWSIMQKH-UHFFFAOYSA-N -1 3 458.967 4.778 40 0 JJABHM COc1ccc(S(=O)(=O)[N-]c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1N1C(=O)CCC1=O ZINC000222730123 569889741 /nfs/dbraw/zinc/88/97/41/569889741.db2.gz SNVKALCMJWUJOJ-UHFFFAOYSA-N -1 3 494.613 4.617 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3c4ccccc4C[C@@H]3C)cc2)cc1Cl ZINC000222738394 569889900 /nfs/dbraw/zinc/88/99/00/569889900.db2.gz MMWXXGFIKONZIL-KRWDZBQOSA-N -1 3 470.978 4.806 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)Cc3ccccc3F)c(C)c2)cc1C ZINC000222809687 569891670 /nfs/dbraw/zinc/89/16/70/569891670.db2.gz RGMOFXHMJUQVRL-UHFFFAOYSA-N -1 3 470.566 4.589 40 0 JJABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCSCc1ccc(Cl)cc1Cl ZINC000223360169 569908643 /nfs/dbraw/zinc/90/86/43/569908643.db2.gz FPKPCCUYLSBXKB-UHFFFAOYSA-N -1 3 485.252 4.976 40 0 JJABHM COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1[O-] ZINC000224623045 569951233 /nfs/dbraw/zinc/95/12/33/569951233.db2.gz UZARNWXPLNFEGJ-DNQXCXABSA-N -1 3 470.554 4.542 40 0 JJABHM COC(=O)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])cc1 ZINC000224623579 569951253 /nfs/dbraw/zinc/95/12/53/569951253.db2.gz IBNBVCDWANRWRG-ZEQRLZLVSA-N -1 3 470.554 4.542 40 0 JJABHM CCCSc1nnc([N-]C(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)s1 ZINC000224674301 569953187 /nfs/dbraw/zinc/95/31/87/569953187.db2.gz VXSRVMKITUTPRX-UHFFFAOYSA-N -1 3 475.061 4.511 40 0 JJABHM CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000408596586 569967000 /nfs/dbraw/zinc/96/70/00/569967000.db2.gz WUUXYUGDCXYNCN-UHFFFAOYSA-N -1 3 478.929 4.696 40 0 JJABHM Cc1ccccc1NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408598278 569967919 /nfs/dbraw/zinc/96/79/19/569967919.db2.gz YRQKGZUOTUTHAZ-FQEVSTJZSA-N -1 3 463.386 4.830 40 0 JJABHM Cc1ccccc1NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408598279 569968016 /nfs/dbraw/zinc/96/80/16/569968016.db2.gz YRQKGZUOTUTHAZ-HXUWFJFHSA-N -1 3 463.386 4.830 40 0 JJABHM COc1ccccc1NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408601779 569969287 /nfs/dbraw/zinc/96/92/87/569969287.db2.gz HFRZDQFIZASYHP-IBGZPJMESA-N -1 3 479.385 4.530 40 0 JJABHM C[C@@H](Oc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1)C(=O)NC1CCCCC1 ZINC000408603796 569970083 /nfs/dbraw/zinc/97/00/83/569970083.db2.gz CVKQMLAIXFTNBY-OAHLLOKOSA-N -1 3 470.513 4.722 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(OC)cc3)c(Cl)c2)cc1 ZINC000408637286 569987291 /nfs/dbraw/zinc/98/72/91/569987291.db2.gz ZNPOWFRJVYYRPE-UHFFFAOYSA-N -1 3 490.965 4.566 40 0 JJABHM O=C([N-]N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)c1ccccc1Cl ZINC000408659674 569999753 /nfs/dbraw/zinc/99/97/53/569999753.db2.gz OZKAUPNJQLTIGM-JSZXIJHASA-N -1 3 497.765 4.578 40 0 JJABHM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000225519821 570001987 /nfs/dbraw/zinc/00/19/87/570001987.db2.gz VYVGRCCZYCRBJT-UHFFFAOYSA-N -1 3 497.429 4.939 40 0 JJABHM CSc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1NC(=O)C(C)C ZINC000225572327 570006673 /nfs/dbraw/zinc/00/66/73/570006673.db2.gz DXEQBWUXAQPITH-UHFFFAOYSA-N -1 3 461.378 4.705 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C)c(C)c2)cc1 ZINC000408674561 570009228 /nfs/dbraw/zinc/00/92/28/570009228.db2.gz AJGIHVSQJDLJQY-UHFFFAOYSA-N -1 3 468.575 4.829 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C)c3C)c(C)c2)cc1 ZINC000408674697 570009344 /nfs/dbraw/zinc/00/93/44/570009344.db2.gz FZQWOZIAILAYKP-UHFFFAOYSA-N -1 3 468.575 4.829 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3F)c(C)c2)cc1C ZINC000408674736 570009385 /nfs/dbraw/zinc/00/93/85/570009385.db2.gz GUFSJTAQHHGAJF-UHFFFAOYSA-N -1 3 460.502 4.708 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)c(C)c2)cc1C ZINC000408674649 570009433 /nfs/dbraw/zinc/00/94/33/570009433.db2.gz DOGGKFUHYIHZEK-FQEVSTJZSA-N -1 3 452.576 4.669 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(OCC)cc3)c(C)c2)cc1 ZINC000408674843 570009472 /nfs/dbraw/zinc/00/94/72/570009472.db2.gz JPFURYFFQRNELA-UHFFFAOYSA-N -1 3 484.574 4.611 40 0 JJABHM CSc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C ZINC000408675390 570010302 /nfs/dbraw/zinc/01/03/02/570010302.db2.gz IDXFNNVYZCDNQO-UHFFFAOYSA-N -1 3 460.552 4.674 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000408676425 570010704 /nfs/dbraw/zinc/01/07/04/570010704.db2.gz NVSFKASMXPMTLV-UHFFFAOYSA-N -1 3 482.455 4.971 40 0 JJABHM CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000408680483 570012173 /nfs/dbraw/zinc/01/21/73/570012173.db2.gz MOPMJEMCMRWCHX-QFIPXVFZSA-N -1 3 468.575 4.909 40 0 JJABHM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(F)cc3F)ccc2n1Cc1ccccc1Cl ZINC000225799810 570022310 /nfs/dbraw/zinc/02/23/10/570022310.db2.gz YIKVSARIHCSHNO-UHFFFAOYSA-N -1 3 466.918 4.844 40 0 JJABHM CCOc1cc(/C=C2\SC(Nc3cc(Cl)ccc3OC)NC2=O)cc(Br)c1[O-] ZINC000408802398 570046171 /nfs/dbraw/zinc/04/61/71/570046171.db2.gz ZSUMSJLPFGFJJR-UHFFFAOYSA-N -1 3 484.779 4.978 40 0 JJABHM COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2cc(Cl)ccc2[O-])C1=O ZINC000408876014 570061209 /nfs/dbraw/zinc/06/12/09/570061209.db2.gz IQEBTNZADLIEDP-APSNUPSMSA-N -1 3 486.855 4.748 40 0 JJABHM COc1ccc(CSCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC000408924296 570078192 /nfs/dbraw/zinc/07/81/92/570078192.db2.gz GGXRZFXRWZKAFP-UHFFFAOYSA-N -1 3 470.616 4.985 40 0 JJABHM COc1ccc(CSCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000408926693 570078610 /nfs/dbraw/zinc/07/86/10/570078610.db2.gz ZEXHTUSQLPOYLB-UHFFFAOYSA-N -1 3 460.552 4.507 40 0 JJABHM CCOc1cccc2c1OC(C)(C)[C@H]1C[C@H]3CN(Cc4ccccc4OCC(=O)[O-])CC[C@@H]3O[C@H]21 ZINC000257216008 570112926 /nfs/dbraw/zinc/11/29/26/570112926.db2.gz CSRLOYNLQVNGEA-MDJJAXGLSA-N -1 3 481.589 4.688 40 0 JJABHM CCOc1cccc2c1OC(C)(C)[C@H]1C[C@H]3CN(Cc4cccc(C(=O)[O-])c4)CC[C@@H]3O[C@H]21 ZINC000257250536 570123345 /nfs/dbraw/zinc/12/33/45/570123345.db2.gz JMXMIFSKSLUUEY-NRTAZHGZSA-N -1 3 451.563 4.923 40 0 JJABHM CCOc1cccc2c1OC(C)(C)[C@H]1C[C@H]3CN(Cc4cc(C)c(O)c(C(=O)[O-])c4)CC[C@@H]3O[C@H]21 ZINC000257310062 570141483 /nfs/dbraw/zinc/14/14/83/570141483.db2.gz UDNHLDHKTAXQHG-OPQSODGTSA-N -1 3 481.589 4.937 40 0 JJABHM CCOc1cccc2c1OC(C)(C)[C@H]1C[C@H]3[C@H](CCCN3Cc3ccccc3OCC(=O)[O-])O[C@H]21 ZINC000257310605 570141604 /nfs/dbraw/zinc/14/16/04/570141604.db2.gz UFWIRSQZNREHIN-IBVSPSLBSA-N -1 3 481.589 4.831 40 0 JJABHM COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3cc(=O)[n-]c(-c4ccccc4)n3)o2)c1 ZINC000257339264 570150247 /nfs/dbraw/zinc/15/02/47/570150247.db2.gz ZAZDJNQAJPGVFQ-QHCPKHFHSA-N -1 3 470.529 4.804 40 0 JJABHM COc1cc(-c2nc3ccccc3c(=O)[n-]2)ccc1OC(=O)c1ccccc1I ZINC000409255282 570186747 /nfs/dbraw/zinc/18/67/47/570186747.db2.gz HQHPZQIKBRQVEY-UHFFFAOYSA-N -1 3 498.276 4.835 40 0 JJABHM CC(C)c1ccccc1NC(=O)CSc1nnc(-c2cc(Br)ccc2[O-])n1C ZINC000408541792 570191711 /nfs/dbraw/zinc/19/17/11/570191711.db2.gz FVNJWBSHROGJHI-UHFFFAOYSA-N -1 3 461.385 4.804 40 0 JJABHM Cn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1cc(Br)ccc1[O-] ZINC000408544848 570192717 /nfs/dbraw/zinc/19/27/17/570192717.db2.gz VOSRIZZJFAFGIJ-UHFFFAOYSA-N -1 3 488.194 4.988 40 0 JJABHM Cn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1cc(Br)ccc1[O-] ZINC000408545466 570192818 /nfs/dbraw/zinc/19/28/18/570192818.db2.gz ZAAWBXGYJSMEKJ-UHFFFAOYSA-N -1 3 488.194 4.988 40 0 JJABHM O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)Nc1ccc(C(F)F)cc1 ZINC000408545569 570192908 /nfs/dbraw/zinc/19/29/08/570192908.db2.gz UWKDIFQOCIHEJO-UHFFFAOYSA-N -1 3 455.284 4.608 40 0 JJABHM O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)Nc1ccc(C(F)F)cc1 ZINC000408545569 570192909 /nfs/dbraw/zinc/19/29/09/570192909.db2.gz UWKDIFQOCIHEJO-UHFFFAOYSA-N -1 3 455.284 4.608 40 0 JJABHM CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(OC)c(Cl)c3)cc2)cc1 ZINC000408556094 570197203 /nfs/dbraw/zinc/19/72/03/570197203.db2.gz ZLGWPQSASWDFCY-UHFFFAOYSA-N -1 3 474.966 4.729 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3SC)cc2)cc1Cl ZINC000408559543 570199904 /nfs/dbraw/zinc/19/99/04/570199904.db2.gz MJPOBBSRYDDZKQ-UHFFFAOYSA-N -1 3 493.006 4.889 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl)NCc1ccccc1Cl ZINC000408559635 570199925 /nfs/dbraw/zinc/19/99/25/570199925.db2.gz ALILLSKMUKCHBT-UHFFFAOYSA-N -1 3 483.348 4.629 40 0 JJABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408560754 570200592 /nfs/dbraw/zinc/20/05/92/570200592.db2.gz PVPCPEJYLXKXKB-UHFFFAOYSA-N -1 3 460.939 4.800 40 0 JJABHM COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000408562279 570201588 /nfs/dbraw/zinc/20/15/88/570201588.db2.gz YQQOZOMPNOVMIQ-UHFFFAOYSA-N -1 3 494.491 4.841 40 0 JJABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2Cl)c(C)c1 ZINC000408562605 570201858 /nfs/dbraw/zinc/20/18/58/570201858.db2.gz QWEYNGGKOLEJSY-UHFFFAOYSA-N -1 3 462.930 4.914 40 0 JJABHM O=C(CSc1n[n-]c(-c2ccccn2)n1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000408582417 570206980 /nfs/dbraw/zinc/20/69/80/570206980.db2.gz NZYCXNVUQQHDCM-UHFFFAOYSA-N -1 3 490.614 4.790 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(F)cccc3F)c(Cl)c2)cc1 ZINC000408587907 570208462 /nfs/dbraw/zinc/20/84/62/570208462.db2.gz CPRUACMDLNCOHB-UHFFFAOYSA-N -1 3 466.893 4.745 40 0 JJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)[C@H]1COc2ccccc2O1 ZINC000001105110 194025372 /nfs/dbraw/zinc/02/53/72/194025372.db2.gz LDXXPGIIAGWYBS-LJQANCHMSA-N -1 3 479.341 4.573 40 0 JJABHM CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3[O-])n2-c2ccc(C)cc2)cc1 ZINC000001223777 194075584 /nfs/dbraw/zinc/07/55/84/194075584.db2.gz RLLXQPQCFKQMSQ-UHFFFAOYSA-N -1 3 458.543 4.882 40 0 JJABHM CCN(C(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C)c1ccc([C@@]([O-])(C(=O)OC)C(F)(F)F)cc1 ZINC000003062707 194222713 /nfs/dbraw/zinc/22/27/13/194222713.db2.gz TZRYRQSCPXRUSR-ZBQZNYHESA-N -1 3 468.299 4.554 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(C)cc2)cc1 ZINC000020766104 195221459 /nfs/dbraw/zinc/22/14/59/195221459.db2.gz DEPQQSLTJYPIAP-UHFFFAOYSA-N -1 3 450.560 4.788 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)cc1 ZINC000020766484 195221789 /nfs/dbraw/zinc/22/17/89/195221789.db2.gz FIDMYFOANOKACX-UHFFFAOYSA-N -1 3 456.951 4.742 40 0 JJABHM CCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)c(C)c1 ZINC000020455586 521515530 /nfs/dbraw/zinc/51/55/30/521515530.db2.gz IMCLNDVRWLOAJA-UHFFFAOYSA-N -1 3 472.950 4.878 40 0 JJABHM COCCn1c(SCC(=O)N2c3ccccc3C[C@H]2C)nnc1-c1cc2ccccc2cc1[O-] ZINC000012474716 522069154 /nfs/dbraw/zinc/06/91/54/522069154.db2.gz IEVUDKZPGIWMNJ-QGZVFWFLSA-N -1 3 474.586 4.520 40 0 JJABHM COc1cc(OC)cc(C(=O)NC(=S)Nc2cc(C)c([O-])c(-c3nc4ccccc4o3)c2)c1 ZINC000022572260 522848651 /nfs/dbraw/zinc/84/86/51/522848651.db2.gz QLJIQKNVEAHJGL-UHFFFAOYSA-N -1 3 463.515 4.653 40 0 JJABHM CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000022515436 522886109 /nfs/dbraw/zinc/88/61/09/522886109.db2.gz AISUNQLQFYEVCC-QHCPKHFHSA-N -1 3 468.575 4.909 40 0 JJABHM CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000020453054 522886525 /nfs/dbraw/zinc/88/65/25/522886525.db2.gz KJTLIMVBIPKWLB-QHCPKHFHSA-N -1 3 454.548 4.601 40 0 JJABHM Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2C)cc1C ZINC000022537342 524332879 /nfs/dbraw/zinc/33/28/79/524332879.db2.gz PBWPOBGRXYWOOZ-NRFANRHFSA-N -1 3 466.603 4.977 40 0 JJABHM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1OC ZINC000020043901 524637577 /nfs/dbraw/zinc/63/75/77/524637577.db2.gz DZDUYFPHIHWLEN-UHFFFAOYSA-N -1 3 460.939 4.719 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(F)cc3)c(Cl)c2)cc1 ZINC000022537529 524695542 /nfs/dbraw/zinc/69/55/42/524695542.db2.gz YBWRNIHGWAKATQ-HNNXBMFYSA-N -1 3 492.956 4.545 40 0 JJABHM COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1OC ZINC000020455897 525103135 /nfs/dbraw/zinc/10/31/35/525103135.db2.gz UAVMTDYBORILAI-UHFFFAOYSA-N -1 3 472.588 4.544 40 0 JJABHM C[C@@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc(F)cc1 ZINC000022536946 525118451 /nfs/dbraw/zinc/11/84/51/525118451.db2.gz SGFSVOWSVQCCQC-OAHLLOKOSA-N -1 3 462.930 4.536 40 0 JJABHM O=C1N[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000016183323 526797532 /nfs/dbraw/zinc/79/75/32/526797532.db2.gz PPVREXQSNPWRNV-LQWHRVPQSA-N -1 3 464.827 4.704 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000016490465 526966950 /nfs/dbraw/zinc/96/69/50/526966950.db2.gz GLUGWBHBIZAUEJ-UHFFFAOYSA-N -1 3 450.438 4.524 40 0 JJABHM Cc1nccn1-c1ccccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000020481558 527385237 /nfs/dbraw/zinc/38/52/37/527385237.db2.gz ALVGVEZQCPJIDG-UHFFFAOYSA-N -1 3 495.004 4.873 40 0 JJABHM Cc1nccn1-c1ccccc1CNC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000044946901 527385772 /nfs/dbraw/zinc/38/57/72/527385772.db2.gz DVXITWHWMVXEMZ-UHFFFAOYSA-N -1 3 495.004 4.873 40 0 JJABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cc(OC)ccc2OC)cc1 ZINC000002337281 554154600 /nfs/dbraw/zinc/15/46/00/554154600.db2.gz JSTRPIUJDBQWBQ-CYXNTTPDSA-N -1 3 488.540 4.544 40 0 JJABHM COCCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1cc2ccccc2cc1[O-] ZINC000006905473 554561244 /nfs/dbraw/zinc/56/12/44/554561244.db2.gz SEPAYSNIVCPUNC-UHFFFAOYSA-N -1 3 491.598 4.791 40 0 JJABHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@H]3c1cccs1)CCCC2 ZINC000008741609 554643996 /nfs/dbraw/zinc/64/39/96/554643996.db2.gz ZLKSTWHCZXRWLO-ACRUOGEOSA-N -1 3 494.594 4.526 40 0 JJABHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1C)[C@@H]2c1ccccc1 ZINC000008741709 554644293 /nfs/dbraw/zinc/64/42/93/554644293.db2.gz QKGHOTIOQYKHCM-ZRBLBEILSA-N -1 3 490.581 4.901 40 0 JJABHM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000009062820 554880396 /nfs/dbraw/zinc/88/03/96/554880396.db2.gz JRTHDSXBLQMSDO-UHFFFAOYSA-N -1 3 493.629 4.655 40 0 JJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C1CCN(Cc2ccccc2F)CC1 ZINC000009063513 554881346 /nfs/dbraw/zinc/88/13/46/554881346.db2.gz OAPYQSMLFKNUAK-UHFFFAOYSA-N -1 3 485.556 4.616 40 0 JJABHM O=S(=O)(Cc1ccc(Cl)cc1)[N-]c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000009694971 555424727 /nfs/dbraw/zinc/42/47/27/555424727.db2.gz BMQVTIBODRBWQC-UHFFFAOYSA-N -1 3 471.387 4.736 40 0 JJABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccc(OC)cc2)cc1 ZINC000013596573 555529176 /nfs/dbraw/zinc/52/91/76/555529176.db2.gz XTRQVPHRWLJOLA-QKDODKLFSA-N -1 3 480.520 4.908 40 0 JJABHM O=C(Nc1ccc(F)c(F)c1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000019931224 555548625 /nfs/dbraw/zinc/54/86/25/555548625.db2.gz IGICRXSSEFUHAW-LJQANCHMSA-N -1 3 485.339 4.800 40 0 JJABHM COc1cccc([C@H]2[C@H]3C(=O)N(c4cccc(Br)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000013648337 555552610 /nfs/dbraw/zinc/55/26/10/555552610.db2.gz DTCMDRMUZCKVQO-FSSWDIPSSA-N -1 3 479.330 4.509 40 0 JJABHM COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c(OC)c1OC ZINC000009975157 555580809 /nfs/dbraw/zinc/58/08/09/555580809.db2.gz MDVUXOISJUVHNO-OVCLIPMQSA-N -1 3 496.585 4.782 40 0 JJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1C ZINC000020009641 555585209 /nfs/dbraw/zinc/58/52/09/555585209.db2.gz VFZFOXFDQSOMBU-HXUWFJFHSA-N -1 3 493.412 4.839 40 0 JJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000020009619 555585307 /nfs/dbraw/zinc/58/53/07/555585307.db2.gz FYSJJQUHSHININ-IBGZPJMESA-N -1 3 479.385 4.530 40 0 JJABHM O=C(NC(=S)Nc1ccc([O-])c(-c2nc3cc(Cl)ccc3o2)c1)c1ccc2c(c1)OCO2 ZINC000010003816 555590800 /nfs/dbraw/zinc/59/08/00/555590800.db2.gz WWFKHRVXNVELTO-UHFFFAOYSA-N -1 3 467.890 4.709 40 0 JJABHM C[C@@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(Br)cc1 ZINC000020019896 555596318 /nfs/dbraw/zinc/59/63/18/555596318.db2.gz DUBKRFUZDPQBIG-MRXNPFEDSA-N -1 3 489.391 4.506 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)Nc1cc(F)ccc1F ZINC000020020896 555597897 /nfs/dbraw/zinc/59/78/97/555597897.db2.gz WBWNEIRKCUEXRC-UHFFFAOYSA-N -1 3 497.317 4.546 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(F)c(F)c1 ZINC000020022415 555599982 /nfs/dbraw/zinc/59/99/82/555599982.db2.gz FQCLPUHLLIKRPD-UHFFFAOYSA-N -1 3 466.893 4.745 40 0 JJABHM CSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2C)cc1 ZINC000020022342 555600017 /nfs/dbraw/zinc/60/00/17/555600017.db2.gz HOMKSZLMTBCVFS-SFHVURJKSA-N -1 3 470.616 4.774 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3F)c(C)c2)cc1 ZINC000020022540 555600249 /nfs/dbraw/zinc/60/02/49/555600249.db2.gz LZVCQFVNLVWIEX-UHFFFAOYSA-N -1 3 494.491 4.629 40 0 JJABHM COC(=O)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000013750849 555609466 /nfs/dbraw/zinc/60/94/66/555609466.db2.gz LAPBPRQUNKXYNB-FSSWDIPSSA-N -1 3 497.334 4.831 40 0 JJABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4C)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000013777711 555617132 /nfs/dbraw/zinc/61/71/32/555617132.db2.gz RMYQZKPQVRPYLQ-HJOGWXRNSA-N -1 3 478.932 4.717 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Sc3ccc(OC)cc3)cc2)cc1 ZINC000020107476 555641235 /nfs/dbraw/zinc/64/12/35/555641235.db2.gz OHFCZYPKOTVKSR-INIZCTEOSA-N -1 3 472.588 4.624 40 0 JJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)c1ccc(CN2CCCC2=O)cc1 ZINC000020108755 555643794 /nfs/dbraw/zinc/64/37/94/555643794.db2.gz GJYRKZPYPGZVRC-UHFFFAOYSA-N -1 3 483.977 4.516 40 0 JJABHM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000020110487 555646551 /nfs/dbraw/zinc/64/65/51/555646551.db2.gz RPIGBXXFWGHJHQ-HNNXBMFYSA-N -1 3 460.552 4.754 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(C)cc3C)cc2)cc1 ZINC000020338770 555777605 /nfs/dbraw/zinc/77/76/05/555777605.db2.gz WJAAWQNJGFTJGP-LJQANCHMSA-N -1 3 468.575 4.909 40 0 JJABHM Cc1cc(Br)c(NC(=O)C(=S)[N-]CCc2ccccc2)c(Br)c1 ZINC000020344336 555778237 /nfs/dbraw/zinc/77/82/37/555778237.db2.gz JOTNVQHBDMXTFQ-UHFFFAOYSA-N -1 3 456.203 4.618 40 0 JJABHM Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4ccc5c(c4)OCCO5)ccc3[O-])oc2c(C)c1 ZINC000014275163 555779810 /nfs/dbraw/zinc/77/98/10/555779810.db2.gz NYEJGXVJFPMMGW-UHFFFAOYSA-N -1 3 475.526 4.715 40 0 JJABHM CCOC(=O)c1c(C)c(C(=O)CC)sc1[N-]C(=O)c1noc2c1CCc1cc(OC)ccc1-2 ZINC000020572790 555824557 /nfs/dbraw/zinc/82/45/57/555824557.db2.gz ODOKXQYPYMAPJM-UHFFFAOYSA-N -1 3 468.531 4.840 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(OC)c(OC)c3)cc2)cc1 ZINC000012493350 555989538 /nfs/dbraw/zinc/98/95/38/555989538.db2.gz JWCLVSOAKMJSHQ-OMCISZLKSA-N -1 3 482.558 4.555 40 0 JJABHM O=C([C@H]1[C@@H](c2ccc(Cl)cc2Cl)NC(=O)[N-][C@@]1(O)c1ccc(Cl)cc1)C(F)(F)F ZINC000017467071 556261120 /nfs/dbraw/zinc/26/11/20/556261120.db2.gz CPLRLNTYQAYHPM-CKEIUWERSA-N -1 3 467.658 4.594 40 0 JJABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000018101174 556287793 /nfs/dbraw/zinc/28/77/93/556287793.db2.gz BVVWUAPNOGNLQI-VJBWXMMDSA-N -1 3 493.357 4.817 40 0 JJABHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCSCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000030756862 556373567 /nfs/dbraw/zinc/37/35/67/556373567.db2.gz WRICXUOMSDOEOI-UHFFFAOYSA-N -1 3 467.827 4.682 40 0 JJABHM Cc1nccn1-c1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000030847568 556376086 /nfs/dbraw/zinc/37/60/86/556376086.db2.gz IEAKDDKKVWGPCN-UHFFFAOYSA-N -1 3 488.613 4.837 40 0 JJABHM CCOC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000030873191 556385723 /nfs/dbraw/zinc/38/57/23/556385723.db2.gz ADTKCXVMIPVAIG-UHFFFAOYSA-N -1 3 458.923 4.570 40 0 JJABHM O=C([O-])C[C@@H]1CCN(Cc2ccccc2OC(F)(F)F)C[C@@H]1Cc1nc2cc(F)ccc2[nH]1 ZINC000514289673 560032100 /nfs/dbraw/zinc/03/21/00/560032100.db2.gz YBPDEZXATSQKBO-HOCLYGCPSA-N -1 3 465.447 4.756 40 0 biogenic,in-vitro JJABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)cc2)c1 ZINC000033469575 569626627 /nfs/dbraw/zinc/62/66/27/569626627.db2.gz AIFVHXKMCGFDRT-UHFFFAOYSA-N -1 3 462.930 4.914 40 0 JJABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000033725619 569632169 /nfs/dbraw/zinc/63/21/69/569632169.db2.gz WSYUDLOPESHIPC-UHFFFAOYSA-N -1 3 464.465 4.832 40 0 JJABHM COc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C([O-])=C2ON1c1ccccc1 ZINC000085994244 569716864 /nfs/dbraw/zinc/71/68/64/569716864.db2.gz YWWIZTJUVAVILE-FKBYEOEOSA-N -1 3 479.330 4.509 40 0 JJABHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1C)[C@@H]2c1ccccc1 ZINC000090443194 569720753 /nfs/dbraw/zinc/72/07/53/569720753.db2.gz QKGHOTIOQYKHCM-ZLNRFVROSA-N -1 3 490.581 4.901 40 0 JJABHM CCOc1ccc(N2C(=O)[C@]3(C)C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000036006909 569747668 /nfs/dbraw/zinc/74/76/68/569747668.db2.gz TWPIELDCTJUEGR-XFAFFCHDSA-N -1 3 458.514 4.535 40 0 JJABHM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc(C)cc1 ZINC000100766362 569769262 /nfs/dbraw/zinc/76/92/62/569769262.db2.gz FWQFECJWKWTCSZ-FSSWDIPSSA-N -1 3 476.554 4.511 40 0 JJABHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@H]3c1cccs1)CCCC2 ZINC000100865917 569772814 /nfs/dbraw/zinc/77/28/14/569772814.db2.gz ZLKSTWHCZXRWLO-HKBOAZHASA-N -1 3 494.594 4.526 40 0 JJABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(F)c4)C([O-])=C3ON2c2ccc(OC)cc2)cc1 ZINC000100885304 569774269 /nfs/dbraw/zinc/77/42/69/569774269.db2.gz XGWGFGYXGUMXJS-VABKMULXSA-N -1 3 482.895 4.547 40 0 JJABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000101024352 569779796 /nfs/dbraw/zinc/77/97/96/569779796.db2.gz UCAUEEWOGIPRCQ-NXCFDTQHSA-N -1 3 488.540 4.544 40 0 JJABHM Cc1cc(Br)ccc1NC(=O)CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1 ZINC000038179298 569800005 /nfs/dbraw/zinc/80/00/05/569800005.db2.gz KWWNLQSKCMSQTH-UHFFFAOYSA-N -1 3 498.200 4.742 40 0 JJABHM Cc1cc(Br)ccc1NC(=O)CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1 ZINC000038179298 569800007 /nfs/dbraw/zinc/80/00/07/569800007.db2.gz KWWNLQSKCMSQTH-UHFFFAOYSA-N -1 3 498.200 4.742 40 0 JJABHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Br)cc2)cc1 ZINC000101224327 569787433 /nfs/dbraw/zinc/78/74/33/569787433.db2.gz OXTBQFFIMWQXLJ-VABKMULXSA-N -1 3 493.357 4.899 40 0 JJABHM CCCNC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000038752286 569806293 /nfs/dbraw/zinc/80/62/93/569806293.db2.gz BVXYWUDTYYQDIC-UHFFFAOYSA-N -1 3 471.966 4.533 40 0 JJABHM CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000038754012 569806622 /nfs/dbraw/zinc/80/66/22/569806622.db2.gz DLLMXISNAYHUIG-NRFANRHFSA-N -1 3 474.966 4.946 40 0 JJABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccc(Br)cc1 ZINC000102692259 569815918 /nfs/dbraw/zinc/81/59/18/569815918.db2.gz JZDBCNWYNNNJMC-ACRUOGEOSA-N -1 3 467.294 4.639 40 0 JJABHM COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102724200 569817493 /nfs/dbraw/zinc/81/74/93/569817493.db2.gz MUXSDIFQXNKICF-FDFHNCONSA-N -1 3 479.330 4.509 40 0 JJABHM COc1cccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)c1OC ZINC000102723706 569817548 /nfs/dbraw/zinc/81/75/48/569817548.db2.gz IJMYYCGLMIZEQX-OHSXHVKISA-N -1 3 480.520 4.908 40 0 JJABHM COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccc(Cl)cc2)ccc1O ZINC000102754784 569821321 /nfs/dbraw/zinc/82/13/21/569821321.db2.gz DATOMUUNBYGINO-BHIFYINESA-N -1 3 485.323 4.759 40 0 JJABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccc(OC(F)(F)F)cc1 ZINC000102761248 569822024 /nfs/dbraw/zinc/82/20/24/569822024.db2.gz HRROAIDPKJDDAX-HBMCJLEFSA-N -1 3 472.394 4.775 40 0 JJABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1cccc(C(F)(F)F)c1 ZINC000102762513 569822482 /nfs/dbraw/zinc/82/24/82/569822482.db2.gz JBIMHYZVXXZPDS-ACRUOGEOSA-N -1 3 456.395 4.896 40 0 JJABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000102764412 569822638 /nfs/dbraw/zinc/82/26/38/569822638.db2.gz YRLAJCYNFMQPET-XPWALMASSA-N -1 3 493.357 4.817 40 0 JJABHM COCc1nn2c(ncc3c2ccn([N-]C(=O)c2ccc(Cl)cc2Cl)c3=O)c1-c1ccccc1 ZINC000040396507 569825657 /nfs/dbraw/zinc/82/56/57/569825657.db2.gz JNHAUSIINXJPPP-UHFFFAOYSA-N -1 3 494.338 4.548 40 0 JJABHM O=C(Nc1cc(Cl)ccc1Cl)C1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000040399419 569826497 /nfs/dbraw/zinc/82/64/97/569826497.db2.gz IDNCYKIEGURHBE-LBPRGKRZSA-N -1 3 478.723 4.538 40 0 JJABHM O=C(Nc1cccc(Cl)c1)C1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[n-]c(=O)c21 ZINC000040399474 569826714 /nfs/dbraw/zinc/82/67/14/569826714.db2.gz XVRWAHKURXVGKZ-AWEZNQCLSA-N -1 3 478.723 4.538 40 0 JJABHM O=C(Nc1cccc2ccccc21)C1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400213 569827295 /nfs/dbraw/zinc/82/72/95/569827295.db2.gz YCIGQLWYWBCEFR-KRWDZBQOSA-N -1 3 493.445 4.750 40 0 JJABHM Cc1c(Cl)cccc1NC(=O)C1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400317 569827682 /nfs/dbraw/zinc/82/76/82/569827682.db2.gz IHEJAQMTHAFPIM-ZDUSSCGKSA-N -1 3 491.857 4.559 40 0 JJABHM COc1cc(/C=C2\SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc(Cl)c1[O-] ZINC000106738784 569855321 /nfs/dbraw/zinc/85/53/21/569855321.db2.gz IEZQQNKFWXMUNS-XRVIQIRUSA-N -1 3 454.287 4.673 40 0 JJABHM COc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000107733102 569857146 /nfs/dbraw/zinc/85/71/46/569857146.db2.gz MWJMXHAJSFBTBA-UHFFFAOYSA-N -1 3 474.966 4.784 40 0 JJABHM CCOC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000216257150 569878000 /nfs/dbraw/zinc/87/80/00/569878000.db2.gz YZQHMXFOMIZOFV-UHFFFAOYSA-N -1 3 458.923 4.570 40 0 JJABHM COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)c1 ZINC000216263978 569878095 /nfs/dbraw/zinc/87/80/95/569878095.db2.gz UMZUBXZWOGCYGN-HNNXBMFYSA-N -1 3 460.939 4.555 40 0 JJABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(C)c(C)c3)cc2)c1 ZINC000222689140 569888639 /nfs/dbraw/zinc/88/86/39/569888639.db2.gz GIXBOYSPNQGJGU-UHFFFAOYSA-N -1 3 452.576 4.763 40 0 JJABHM CN(Cc1ccccc1F)C(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000222727978 569889678 /nfs/dbraw/zinc/88/96/78/569889678.db2.gz NBBUIDUIXXEOJG-UHFFFAOYSA-N -1 3 496.482 4.683 40 0 JJABHM CCc1ccc([C@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1 ZINC000223480042 569912729 /nfs/dbraw/zinc/91/27/29/569912729.db2.gz OUHZKSOSZQTESX-NSHDSACASA-N -1 3 485.418 4.699 40 0 JJABHM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000224101372 569933206 /nfs/dbraw/zinc/93/32/06/569933206.db2.gz NQLPUDVOYICOEZ-UHFFFAOYSA-N -1 3 483.402 4.549 40 0 JJABHM Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1Cc1ccncc1 ZINC000224593878 569949896 /nfs/dbraw/zinc/94/98/96/569949896.db2.gz FOCZABSYTQWOPY-RPBOFIJWSA-N -1 3 455.587 4.826 40 0 JJABHM COC(=O)c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1 ZINC000224623336 569951243 /nfs/dbraw/zinc/95/12/43/569951243.db2.gz LNXPDXXCECJWIK-BJKOFHAPSA-N -1 3 470.554 4.542 40 0 JJABHM CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)[N-]c3nnc(-c4ccccc4)s3)c2)CC1 ZINC000224845384 569960102 /nfs/dbraw/zinc/96/01/02/569960102.db2.gz CNMRNKGAONXEMS-UHFFFAOYSA-N -1 3 477.011 4.531 40 0 JJABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C[C@@H]1CCCO1 ZINC000224865285 569960760 /nfs/dbraw/zinc/96/07/60/569960760.db2.gz LXKJDUBQNCMBGF-USCONSEESA-N -1 3 454.983 4.598 40 0 JJABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C[C@@H]1CCCO1 ZINC000224865369 569960766 /nfs/dbraw/zinc/96/07/66/569960766.db2.gz LXKJDUBQNCMBGF-KNXBSLHKSA-N -1 3 454.983 4.598 40 0 JJABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C[C@@H]1CCCO1 ZINC000224865327 569960806 /nfs/dbraw/zinc/96/08/06/569960806.db2.gz LXKJDUBQNCMBGF-WQTXXOFMSA-N -1 3 454.983 4.598 40 0 JJABHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000408595664 569966366 /nfs/dbraw/zinc/96/63/66/569966366.db2.gz SMJDBPTXUBMXKQ-QMMMGPOBSA-N -1 3 475.703 4.971 40 0 JJABHM O=C(Nc1ccccc1F)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408601054 569968901 /nfs/dbraw/zinc/96/89/01/569968901.db2.gz DWTSOSTYUXOPRE-IBGZPJMESA-N -1 3 467.349 4.661 40 0 JJABHM COc1ccc(C)cc1NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408609404 569972110 /nfs/dbraw/zinc/97/21/10/569972110.db2.gz SUNJWYNWVSEXPY-FQEVSTJZSA-N -1 3 493.412 4.839 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C)c(Cl)c2)cc1 ZINC000408637297 569987335 /nfs/dbraw/zinc/98/73/35/569987335.db2.gz ZSAXGTRTHSCUEV-UHFFFAOYSA-N -1 3 474.966 4.784 40 0 JJABHM C[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccc(C(C)(C)C)cc1 ZINC000225380377 569994090 /nfs/dbraw/zinc/99/40/90/569994090.db2.gz RZPJYLOUIGLXHF-ZDUSSCGKSA-N -1 3 479.027 4.781 40 0 JJABHM COc1ccc([C@@H](CC(C)C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)cc1 ZINC000225526622 570002579 /nfs/dbraw/zinc/00/25/79/570002579.db2.gz GYAMHNVCINPSGZ-GOSISDBHSA-N -1 3 495.026 4.518 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1Br ZINC000408674555 570009218 /nfs/dbraw/zinc/00/92/18/570009218.db2.gz ABFXCRCEYXNZJG-UHFFFAOYSA-N -1 3 493.354 4.715 40 0 JJABHM CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2C)cc1 ZINC000408674671 570009352 /nfs/dbraw/zinc/00/93/52/570009352.db2.gz FAHAHCOFMYONIU-UHFFFAOYSA-N -1 3 468.575 4.829 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000408675060 570009821 /nfs/dbraw/zinc/00/98/21/570009821.db2.gz GEWIOXAFNLINKH-UHFFFAOYSA-N -1 3 493.354 4.715 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(Cl)cc3)c(C)c2)cc1 ZINC000408675043 570009876 /nfs/dbraw/zinc/00/98/76/570009876.db2.gz PQVPYUYOSWFXTA-UHFFFAOYSA-N -1 3 488.993 4.543 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc4ccccc43)c(C)c2)cc1 ZINC000408675274 570010095 /nfs/dbraw/zinc/01/00/95/570010095.db2.gz HBEVMRJBTODTSA-UHFFFAOYSA-N -1 3 476.554 4.975 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(C)cc3C)cc2)cc1 ZINC000408677112 570010903 /nfs/dbraw/zinc/01/09/03/570010903.db2.gz AMFUETFRMMXVEL-GOSISDBHSA-N -1 3 454.548 4.519 40 0 JJABHM Cc1ccccc1[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccccc1 ZINC000225646094 570012128 /nfs/dbraw/zinc/01/21/28/570012128.db2.gz CZUOVSLBBRXYAW-HXUWFJFHSA-N -1 3 499.017 4.820 40 0 JJABHM COc1cccc(C([O-])=C(CC(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000408686578 570014041 /nfs/dbraw/zinc/01/40/41/570014041.db2.gz RZIFMEQPJQHLAC-HSZRJFAPSA-N -1 3 456.947 4.955 40 0 JJABHM COc1ccc(C(=O)CC(=C([O-])c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408687827 570014411 /nfs/dbraw/zinc/01/44/11/570014411.db2.gz VFKWQAIAYKBRDR-QHCPKHFHSA-N -1 3 456.947 4.955 40 0 JJABHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1C(=O)N1CCCC1 ZINC000408693049 570015808 /nfs/dbraw/zinc/01/58/08/570015808.db2.gz CWQJSZAYDKOUMO-UHFFFAOYSA-N -1 3 463.770 4.692 40 0 JJABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1C(=O)N1CCCC1 ZINC000408693439 570016159 /nfs/dbraw/zinc/01/61/59/570016159.db2.gz UMTCRDLPOKBKEL-UHFFFAOYSA-N -1 3 452.532 4.524 40 0 JJABHM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(Br)cc3F)ccc2n1Cc1ccccc1 ZINC000225744208 570019298 /nfs/dbraw/zinc/01/92/98/570019298.db2.gz PGTMJSXPVWZYCJ-UHFFFAOYSA-N -1 3 493.379 4.814 40 0 JJABHM CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000408706111 570024974 /nfs/dbraw/zinc/02/49/74/570024974.db2.gz VJTISPTZZOOLQM-XMMPIXPASA-N -1 3 468.575 4.909 40 0 JJABHM CCOc1ccc(NC(=O)C(C)(C)[N-]S(=O)(=O)Cc2cc(F)ccc2Cl)c2ccccc12 ZINC000225923790 570027953 /nfs/dbraw/zinc/02/79/53/570027953.db2.gz DSYWNBCUYARJBP-UHFFFAOYSA-N -1 3 478.973 4.868 40 0 JJABHM CCOc1cc(C=C2SC(=O)[N-]C2=O)c(Br)cc1OCc1ccc(F)cc1 ZINC000408855141 570056235 /nfs/dbraw/zinc/05/62/35/570056235.db2.gz CKLKYYJRIGHIMW-CAOOACKPSA-N -1 3 452.301 4.890 40 0 JJABHM CCOC(=O)C1=C(C)NC(SCc2cccc(C(=O)[O-])c2)=N[C@H]1c1ccc(OCC)cc1 ZINC000408873512 570060318 /nfs/dbraw/zinc/06/03/18/570060318.db2.gz VCTLKFOXEQLNJM-NRFANRHFSA-N -1 3 454.548 4.554 40 0 JJABHM CC1(C)Oc2ccc(O)cc2[C@H]2O[C@H]3CCN(Cc4ccc(-c5ccc(C(=O)[O-])c(O)c5)o4)[C@@H]3C[C@@H]21 ZINC000257203086 570108743 /nfs/dbraw/zinc/10/87/43/570108743.db2.gz AOQIAYOOPXAIGA-LHYMKVENSA-N -1 3 491.540 4.948 40 0 JJABHM CCOc1cccc2c1OC(C)(C)[C@@H]1C[C@@H]3CN(Cc4ccccc4OCC(=O)[O-])CC[C@H]3O[C@@H]21 ZINC000257216007 570112921 /nfs/dbraw/zinc/11/29/21/570112921.db2.gz CSRLOYNLQVNGEA-INZVZTLUSA-N -1 3 481.589 4.688 40 0 JJABHM COc1cccc([C@H]2CN(Cc3ccccc3)C(=O)C23CCN(Cc2ccccc2C(=O)[O-])CC3)c1 ZINC000257258215 570125663 /nfs/dbraw/zinc/12/56/63/570125663.db2.gz KSVRZPBODLKJLR-HHHXNRCGSA-N -1 3 484.596 4.802 40 0 JJABHM O=C(c1cc(=O)[n-]c(-c2ccccc2)n1)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 ZINC000257262375 570127017 /nfs/dbraw/zinc/12/70/17/570127017.db2.gz LLDXCZZHSCAOIF-LJQANCHMSA-N -1 3 458.493 4.587 40 0 JJABHM Cc1cc(C)c(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2C)c(C)c1 ZINC000408542929 570192030 /nfs/dbraw/zinc/19/20/30/570192030.db2.gz LVUKHVMDRFTUQJ-UHFFFAOYSA-N -1 3 461.385 4.606 40 0 JJABHM Cc1ccc(-n2c(SCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)nnc2-c2ccccc2[O-])c(C)c1 ZINC000408544311 570192346 /nfs/dbraw/zinc/19/23/46/570192346.db2.gz GBLVVGYNNVTABI-UHFFFAOYSA-N -1 3 486.557 4.569 40 0 JJABHM O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)Nc1ccccc1C(F)F ZINC000408544975 570192682 /nfs/dbraw/zinc/19/26/82/570192682.db2.gz KOEKCCZGSPRSTO-UHFFFAOYSA-N -1 3 455.284 4.608 40 0 JJABHM O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)Nc1ccccc1C(F)F ZINC000408544975 570192683 /nfs/dbraw/zinc/19/26/83/570192683.db2.gz KOEKCCZGSPRSTO-UHFFFAOYSA-N -1 3 455.284 4.608 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000408582649 570207068 /nfs/dbraw/zinc/20/70/68/570207068.db2.gz FAUCNQYOENJGSA-UHFFFAOYSA-N -1 3 479.385 4.798 40 0 JJABHM CC(=O)c1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2Cl)c1 ZINC000408583545 570207329 /nfs/dbraw/zinc/20/73/29/570207329.db2.gz IFUNEJQTRONUOQ-UHFFFAOYSA-N -1 3 472.950 4.669 40 0 JJABHM CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2Cl)cc1 ZINC000408592219 570209366 /nfs/dbraw/zinc/20/93/66/570209366.db2.gz KTBKRQUMSSBDCX-UHFFFAOYSA-N -1 3 474.966 4.865 40 0 JJABHM COc1ccccc1-n1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccccc1[O-] ZINC000000915835 193965935 /nfs/dbraw/zinc/96/59/35/193965935.db2.gz RNOSZFCJHZWZIR-UHFFFAOYSA-N -1 3 460.559 4.996 40 0 JJABHM CN(C)c1ccc(Cc2cc3c([O-])ccc(O)c3cc(Cc3ccc(N(C)C)cc3)c2=O)cc1 ZINC000001645821 194130450 /nfs/dbraw/zinc/13/04/50/194130450.db2.gz ZKHPWXJFZAWDGA-UHFFFAOYSA-N -1 3 454.570 4.925 40 0 JJABHM O=C1N[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000004163804 194381972 /nfs/dbraw/zinc/38/19/72/194381972.db2.gz PPVREXQSNPWRNV-BBTUJRGHSA-N -1 3 464.827 4.704 40 0 JJABHM CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000044844361 518754188 /nfs/dbraw/zinc/75/41/88/518754188.db2.gz BNYNGKATHMGSFQ-UHFFFAOYSA-N -1 3 485.993 4.921 40 0 JJABHM CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020456093 519742077 /nfs/dbraw/zinc/74/20/77/519742077.db2.gz ZWLKVRDFUYRHEV-UHFFFAOYSA-N -1 3 485.993 4.779 40 0 JJABHM CCOc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000020488320 520998419 /nfs/dbraw/zinc/99/84/19/520998419.db2.gz TZQXRCHETRUGOM-UHFFFAOYSA-N -1 3 458.967 4.778 40 0 JJABHM COC(=O)c1ccc(Cl)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)c1 ZINC000020489607 522058984 /nfs/dbraw/zinc/05/89/84/522058984.db2.gz SNKPXLWSUIKCBN-UHFFFAOYSA-N -1 3 479.341 4.833 40 0 JJABHM CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000044846951 523052054 /nfs/dbraw/zinc/05/20/54/523052054.db2.gz VCSOAUQETTVXRN-JOCHJYFZSA-N -1 3 474.966 4.946 40 0 JJABHM Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1C ZINC000022536853 524333627 /nfs/dbraw/zinc/33/36/27/524333627.db2.gz SBULXJGPDRICLQ-FQEVSTJZSA-N -1 3 452.576 4.669 40 0 JJABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3cc(C)c(C)cc3C)cc2)c1 ZINC000022536911 524692317 /nfs/dbraw/zinc/69/23/17/524692317.db2.gz MPANQTOGEKKFHV-OAQYLSRUSA-N -1 3 466.603 4.977 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(F)cc3)cc2)cc1Cl ZINC000022537054 524695279 /nfs/dbraw/zinc/69/52/79/524695279.db2.gz GPRSGIGTGLSHDY-HNNXBMFYSA-N -1 3 492.956 4.545 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3cc(C)c(C)cc3C)cc2)cc1 ZINC000022536939 524695393 /nfs/dbraw/zinc/69/53/93/524695393.db2.gz BBEPAHNKWLGETN-FQEVSTJZSA-N -1 3 482.602 4.677 40 0 JJABHM COc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000044901297 525143120 /nfs/dbraw/zinc/14/31/20/525143120.db2.gz BJHMWRWBHFRSGV-MRXNPFEDSA-N -1 3 458.967 4.949 40 0 JJABHM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000044948072 526702562 /nfs/dbraw/zinc/70/25/62/526702562.db2.gz SNIICBRSQUDNPU-JXMROGBWSA-N -1 3 496.032 4.612 40 0 JJABHM [O-]C(c1ccccc1)=C1[C@@H](c2cccc(Oc3ccccc3)c2)NC(=S)N[C@]1(O)C(F)(F)F ZINC000006148116 526797237 /nfs/dbraw/zinc/79/72/37/526797237.db2.gz QUSHGXPSJCXDML-TXTKFYIRSA-N -1 3 472.488 4.748 40 0 JJABHM O=C(Nc1cccc(Cl)c1Cl)C1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000040399389 527346729 /nfs/dbraw/zinc/34/67/29/527346729.db2.gz QYNSQHWBNPOQAI-NSHDSACASA-N -1 3 478.723 4.538 40 0 JJABHM Cc1nccn1-c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC000022513351 527372305 /nfs/dbraw/zinc/37/23/05/527372305.db2.gz YKNMSYGPRKYQSC-UHFFFAOYSA-N -1 3 474.586 4.528 40 0 JJABHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000008741539 554643988 /nfs/dbraw/zinc/64/39/88/554643988.db2.gz LWPNXNWVCGBEOG-BDTNDASRSA-N -1 3 476.554 4.593 40 0 JJABHM COc1ccc(N2OC3=C([O-])N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@H]2c2ccccc2)cc1 ZINC000009359929 555123411 /nfs/dbraw/zinc/12/34/11/555123411.db2.gz CWWKVNPKUFVXGT-YPAWHYETSA-N -1 3 479.330 4.509 40 0 JJABHM COc1ccc(N2OC3=C([O-])N(c4ccc(Cl)c(F)c4)C(=O)[C@@H]3[C@@H]2c2ccccc2)cc1 ZINC000013563293 555498084 /nfs/dbraw/zinc/49/80/84/555498084.db2.gz ASXVFWBECPQAOH-BHIFYINESA-N -1 3 452.869 4.539 40 0 JJABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(F)c4)C([O-])=C3ON2c2ccc(OC)cc2)cc1 ZINC000013597409 555529363 /nfs/dbraw/zinc/52/93/63/555529363.db2.gz XGWGFGYXGUMXJS-VJBWXMMDSA-N -1 3 482.895 4.547 40 0 JJABHM COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(F)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000013659353 555555973 /nfs/dbraw/zinc/55/59/73/555555973.db2.gz PCGMEDOSPGFPJK-FKBYEOEOSA-N -1 3 452.869 4.539 40 0 JJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000020009612 555585166 /nfs/dbraw/zinc/58/51/66/555585166.db2.gz YFAHHOLFIIUBGX-IBGZPJMESA-N -1 3 479.385 4.530 40 0 JJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000020009647 555585553 /nfs/dbraw/zinc/58/55/53/555585553.db2.gz CYGJUMATRDEJEI-HXUWFJFHSA-N -1 3 493.412 4.839 40 0 JJABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000020020111 555596625 /nfs/dbraw/zinc/59/66/25/555596625.db2.gz ACVXSUNYCIKVSB-UHFFFAOYSA-N -1 3 482.455 4.971 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(Cl)cc3)cc2)cc1 ZINC000020020468 555597279 /nfs/dbraw/zinc/59/72/79/555597279.db2.gz KVIGRIYRWRCJKY-QGZVFWFLSA-N -1 3 488.993 4.796 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H]3CCCc4ccccc43)c(C)c2)cc1 ZINC000020021602 555598741 /nfs/dbraw/zinc/59/87/41/555598741.db2.gz VDRIELWKOSIOKB-DEOSSOPVSA-N -1 3 464.587 4.677 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3F)c(C)c2)cc1C ZINC000020022603 555600343 /nfs/dbraw/zinc/60/03/43/555600343.db2.gz CCSNLJCFZMSIOZ-UHFFFAOYSA-N -1 3 460.502 4.708 40 0 JJABHM Cc1nccn1-c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1 ZINC000020049364 555618722 /nfs/dbraw/zinc/61/87/22/555618722.db2.gz OEBJTRWFWJSHSK-UHFFFAOYSA-N -1 3 488.613 4.837 40 0 JJABHM CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000020049742 555618975 /nfs/dbraw/zinc/61/89/75/555618975.db2.gz SLXIVGOSELDXOB-HSZRJFAPSA-N -1 3 468.575 4.909 40 0 JJABHM O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020050890 555620053 /nfs/dbraw/zinc/62/00/53/555620053.db2.gz GKGWVEBBYWNGEZ-UHFFFAOYSA-N -1 3 483.977 4.629 40 0 JJABHM CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4C(=O)[O-])[C@H]3C2=O)cc1 ZINC000013811515 555628536 /nfs/dbraw/zinc/62/85/36/555628536.db2.gz OPXAHFXFFJHGIH-DSITVLBTSA-N -1 3 486.524 4.615 40 0 JJABHM CC(C)Oc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000020107312 555640966 /nfs/dbraw/zinc/64/09/66/555640966.db2.gz YYATZTXDOANULI-UHFFFAOYSA-N -1 3 458.967 4.858 40 0 JJABHM COc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000014006480 555668558 /nfs/dbraw/zinc/66/85/58/555668558.db2.gz VQGABBHWHHYYCT-GOSISDBHSA-N -1 3 454.548 4.519 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cc(C)cc(C)c3)cc2)cc1 ZINC000020323734 555772045 /nfs/dbraw/zinc/77/20/45/555772045.db2.gz HBNHFBYXWDHFLS-LJQANCHMSA-N -1 3 468.575 4.909 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(C)cc3)cc2)cc1 ZINC000014397592 555803254 /nfs/dbraw/zinc/80/32/54/555803254.db2.gz BNXIUSYSZKZRSQ-UHFFFAOYSA-N -1 3 468.575 4.992 40 0 JJABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000012017485 555885242 /nfs/dbraw/zinc/88/52/42/555885242.db2.gz OVBRODNAMZDVAL-HJOGWXRNSA-N -1 3 478.932 4.717 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(Cl)c3)cc2)cc1 ZINC000015439103 555909254 /nfs/dbraw/zinc/90/92/54/555909254.db2.gz BAJMCUWLSXJOMS-OAHLLOKOSA-N -1 3 460.939 4.555 40 0 JJABHM O=C(COc1ccc(Br)cc1)[N-]C(=S)Nc1nc2ccc(Cl)cc2s1 ZINC000016428802 556138907 /nfs/dbraw/zinc/13/89/07/556138907.db2.gz MROBZYIJFWKCTM-UHFFFAOYSA-N -1 3 456.774 4.604 40 0 JJABHM O=C([C@H]1[C@@H](c2ccc(Cl)cc2Cl)NC(=O)[N-][C@]1(O)c1ccc(Cl)cc1)C(F)(F)F ZINC000017467074 556261179 /nfs/dbraw/zinc/26/11/79/556261179.db2.gz CPLRLNTYQAYHPM-CPUCHLNUSA-N -1 3 467.658 4.594 40 0 JJABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000017991941 556274758 /nfs/dbraw/zinc/27/47/58/556274758.db2.gz WUMVUHCFLQCRAE-FKBYEOEOSA-N -1 3 497.320 4.648 40 0 JJABHM CCCCCC(=O)N1CCC(c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[n-]2)CC1 ZINC000013083193 556279169 /nfs/dbraw/zinc/27/91/69/556279169.db2.gz KNPCTSHYFNXRHB-UHFFFAOYSA-N -1 3 477.396 4.568 40 0 JJABHM Cc1ccccc1C(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[n-]2)C1 ZINC000013083619 556280310 /nfs/dbraw/zinc/28/03/10/556280310.db2.gz VUTOFFNUQQCJLF-OAHLLOKOSA-N -1 3 497.386 4.610 40 0 JJABHM COc1ccc(Br)cc1[C@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C([O-])=C2ON1c1ccccc1 ZINC000018098376 556287389 /nfs/dbraw/zinc/28/73/89/556287389.db2.gz VNERRIBWWMXGQO-FKBYEOEOSA-N -1 3 497.320 4.648 40 0 JJABHM COC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000018155699 556295596 /nfs/dbraw/zinc/29/55/96/556295596.db2.gz BHDBMIZMDLRZTN-VSKRKVRLSA-N -1 3 497.334 4.831 40 0 JJABHM CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000030753040 556371793 /nfs/dbraw/zinc/37/17/93/556371793.db2.gz BAMUPBMJCRLDMY-DEOSSOPVSA-N -1 3 468.575 4.909 40 0 JJABHM CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000030753036 556371840 /nfs/dbraw/zinc/37/18/40/556371840.db2.gz BAMUPBMJCRLDMY-XMMPIXPASA-N -1 3 468.575 4.909 40 0 JJABHM COc1ccc2[nH]c(C[C@H]3CN(Cc4ccccc4OC(F)(F)F)CC[C@H]3CC(=O)[O-])nc2c1 ZINC000514288497 560034779 /nfs/dbraw/zinc/03/47/79/560034779.db2.gz GIYBIAHXIFSGNX-RDJZCZTQSA-N -1 3 477.483 4.626 40 0 biogenic,in-vitro JJABHM Cc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc5nsnc5c4)ccc3[O-])nc2c1 ZINC000059294187 569602432 /nfs/dbraw/zinc/60/24/32/569602432.db2.gz IWKBJQZVBNIFJK-UHFFFAOYSA-N -1 3 461.528 4.640 40 0 JJABHM COc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1C ZINC000033530841 569627382 /nfs/dbraw/zinc/62/73/82/569627382.db2.gz KYIOGSISXYPQPN-UHFFFAOYSA-N -1 3 474.966 4.784 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1 ZINC000033583795 569628306 /nfs/dbraw/zinc/62/83/06/569628306.db2.gz HHMTXRUZLGEGNO-UHFFFAOYSA-N -1 3 454.548 4.520 40 0 JJABHM CCc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000033594733 569628459 /nfs/dbraw/zinc/62/84/59/569628459.db2.gz QDCQGODOBAMXPK-UHFFFAOYSA-N -1 3 452.576 4.993 40 0 JJABHM CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c1 ZINC000033745360 569633301 /nfs/dbraw/zinc/63/33/01/569633301.db2.gz VQPPFBHCPXSSCF-UHFFFAOYSA-N -1 3 456.589 4.844 40 0 JJABHM COc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1C)[C@H]2c1cccc(Br)c1 ZINC000100713556 569767546 /nfs/dbraw/zinc/76/75/46/569767546.db2.gz UZERHSVQCGYKMO-VABKMULXSA-N -1 3 493.357 4.817 40 0 JJABHM CCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2cccs2)cc1 ZINC000100799284 569770515 /nfs/dbraw/zinc/77/05/15/569770515.db2.gz PKKVEPJHYSGKOU-HKBOAZHASA-N -1 3 482.945 4.629 40 0 JJABHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(Br)c2)cc1 ZINC000101011752 569779088 /nfs/dbraw/zinc/77/90/88/569779088.db2.gz PWHWIYMQADEYQQ-VABKMULXSA-N -1 3 493.357 4.899 40 0 JJABHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(Br)c2)cc1 ZINC000101011753 569779156 /nfs/dbraw/zinc/77/91/56/569779156.db2.gz PWHWIYMQADEYQQ-ZRBLBEILSA-N -1 3 493.357 4.899 40 0 JJABHM CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000101197549 569786886 /nfs/dbraw/zinc/78/68/86/569786886.db2.gz PRCFAYVJKTVJGO-DSITVLBTSA-N -1 3 476.504 4.674 40 0 JJABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000101223997 569787469 /nfs/dbraw/zinc/78/74/69/569787469.db2.gz QIFYGGOSVKHCEK-FKBYEOEOSA-N -1 3 497.320 4.648 40 0 JJABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000101268019 569788508 /nfs/dbraw/zinc/78/85/08/569788508.db2.gz OVBRODNAMZDVAL-TZRRMPRUSA-N -1 3 478.932 4.717 40 0 JJABHM O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)Nc1cccc(C(F)(F)F)c1 ZINC000038163640 569799837 /nfs/dbraw/zinc/79/98/37/569799837.db2.gz SHBKFZJKOIISRN-UHFFFAOYSA-N -1 3 473.274 4.689 40 0 JJABHM O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)Nc1cccc(C(F)(F)F)c1 ZINC000038163640 569799839 /nfs/dbraw/zinc/79/98/39/569799839.db2.gz SHBKFZJKOIISRN-UHFFFAOYSA-N -1 3 473.274 4.689 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccccc3)c(Cl)c2)cc1 ZINC000038556553 569805290 /nfs/dbraw/zinc/80/52/90/569805290.db2.gz LHOVASOELMBLDB-QGZVFWFLSA-N -1 3 488.993 4.796 40 0 JJABHM Cc1nccn1-c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc1 ZINC000038755907 569807186 /nfs/dbraw/zinc/80/71/86/569807186.db2.gz CGNNNJSMXWUGMR-UHFFFAOYSA-N -1 3 488.613 4.837 40 0 JJABHM COc1ccc(CCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000038756820 569807409 /nfs/dbraw/zinc/80/74/09/569807409.db2.gz NCUQAKFHBFFXAS-UHFFFAOYSA-N -1 3 472.994 4.820 40 0 JJABHM O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000038756753 569807413 /nfs/dbraw/zinc/80/74/13/569807413.db2.gz ZHUPWKPWKHWHJS-UHFFFAOYSA-N -1 3 469.950 4.520 40 0 JJABHM COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102724207 569817647 /nfs/dbraw/zinc/81/76/47/569817647.db2.gz MUXSDIFQXNKICF-BHIFYINESA-N -1 3 479.330 4.509 40 0 JJABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000102753724 569821069 /nfs/dbraw/zinc/82/10/69/569821069.db2.gz RMYQZKPQVRPYLQ-TZRRMPRUSA-N -1 3 478.932 4.717 40 0 JJABHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1cccc(C(F)(F)F)c1 ZINC000102762518 569822459 /nfs/dbraw/zinc/82/24/59/569822459.db2.gz JBIMHYZVXXZPDS-HKBOAZHASA-N -1 3 456.395 4.896 40 0 JJABHM CCc1nn2c(ncc3c2ccn([N-]C(=O)c2ccc(Cl)cc2Cl)c3=O)c1-c1ccccc1 ZINC000040387943 569824445 /nfs/dbraw/zinc/82/44/45/569824445.db2.gz IWSREDPGDTYNCX-UHFFFAOYSA-N -1 3 478.339 4.964 40 0 JJABHM O=C(Nc1ccccc1Sc1ccccc1)C1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21 ZINC000040399195 569826074 /nfs/dbraw/zinc/82/60/74/569826074.db2.gz DWXFNYMOHVNGAM-SFHVURJKSA-N -1 3 483.553 4.729 40 0 JJABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4cc(Cl)cc(Cl)c4)[n-]c(=O)c32)cc1Cl ZINC000040399491 569826656 /nfs/dbraw/zinc/82/66/56/569826656.db2.gz VYMCWKQLESLAHJ-CQSZACIVSA-N -1 3 492.750 4.847 40 0 JJABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)c1 ZINC000107565695 569856581 /nfs/dbraw/zinc/85/65/81/569856581.db2.gz JKZMVGZUILKMLK-UHFFFAOYSA-N -1 3 489.391 4.884 40 0 JJABHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000107659541 569856917 /nfs/dbraw/zinc/85/69/17/569856917.db2.gz NTYIBXJWWXSMNN-QGZVFWFLSA-N -1 3 477.413 4.889 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)Nc1ccc(Br)cc1 ZINC000108947937 569860035 /nfs/dbraw/zinc/86/00/35/569860035.db2.gz QZPVXQFHUVGDJX-UHFFFAOYSA-N -1 3 495.782 4.921 40 0 JJABHM CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)cc(I)c1[O-] ZINC000214042981 569876245 /nfs/dbraw/zinc/87/62/45/569876245.db2.gz HZLQNCIABVMQTE-MHWRWJLKSA-N -1 3 481.311 4.632 40 0 JJABHM COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)c1 ZINC000216370424 569878559 /nfs/dbraw/zinc/87/85/59/569878559.db2.gz KLOYDVRSRJTROX-SFHVURJKSA-N -1 3 454.548 4.519 40 0 JJABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3cccc4ccccc43)cc2)c1 ZINC000222690277 569888653 /nfs/dbraw/zinc/88/86/53/569888653.db2.gz FQVNWTMPQZLASY-UHFFFAOYSA-N -1 3 460.555 4.644 40 0 JJABHM CC(C)Sc1nnc([N-]C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)s1 ZINC000223083298 569898927 /nfs/dbraw/zinc/89/89/27/569898927.db2.gz QDXLNLZCMKTEBV-UHFFFAOYSA-N -1 3 475.061 4.509 40 0 JJABHM CCc1ccc([C@@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1 ZINC000223479985 569912720 /nfs/dbraw/zinc/91/27/20/569912720.db2.gz OUHZKSOSZQTESX-LLVKDONJSA-N -1 3 485.418 4.699 40 0 JJABHM CC[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccccc1C ZINC000224178006 569935410 /nfs/dbraw/zinc/93/54/10/569935410.db2.gz DYWZLHFQMXWNCU-MRXNPFEDSA-N -1 3 485.418 4.835 40 0 JJABHM CC(C)C[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccccc1 ZINC000224204301 569936395 /nfs/dbraw/zinc/93/63/95/569936395.db2.gz IKZXMBXYHZVEME-QGZVFWFLSA-N -1 3 465.000 4.510 40 0 JJABHM CCCc1ccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000224409310 569943693 /nfs/dbraw/zinc/94/36/93/569943693.db2.gz JBALEMZOYPZUTN-UHFFFAOYSA-N -1 3 472.994 4.902 40 0 JJABHM COC(=O)c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1 ZINC000224623378 569951204 /nfs/dbraw/zinc/95/12/04/569951204.db2.gz LNXPDXXCECJWIK-ZEQRLZLVSA-N -1 3 470.554 4.542 40 0 JJABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1cccnc1 ZINC000224864627 569960709 /nfs/dbraw/zinc/96/07/09/569960709.db2.gz DVXBIVVBQVKCNL-DHIUTWEWSA-N -1 3 461.978 4.863 40 0 JJABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1Cc1ccccn1 ZINC000224880204 569961624 /nfs/dbraw/zinc/96/16/24/569961624.db2.gz GNFBSUGEUJOFAB-DHIUTWEWSA-N -1 3 461.978 4.863 40 0 JJABHM O=C(CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1)Nc1ccccc1OC(F)F ZINC000408600013 569968285 /nfs/dbraw/zinc/96/82/85/569968285.db2.gz QVLDFLSGQHTISX-UHFFFAOYSA-N -1 3 468.485 4.972 40 0 JJABHM C[C@@H](Oc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1)C(=O)NC1CCCCC1 ZINC000408603676 569969996 /nfs/dbraw/zinc/96/99/96/569969996.db2.gz CGENTXXPKGFMKP-CQSZACIVSA-N -1 3 499.402 4.605 40 0 JJABHM O=C(Nc1ccc(F)cc1F)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408604994 569970649 /nfs/dbraw/zinc/97/06/49/569970649.db2.gz MIQQTSRAXMXJNX-IBGZPJMESA-N -1 3 485.339 4.800 40 0 JJABHM CCOc1ccccc1NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408607852 569971632 /nfs/dbraw/zinc/97/16/32/569971632.db2.gz QQNPWBBPKSCDQI-HXUWFJFHSA-N -1 3 493.412 4.920 40 0 JJABHM O=C([N-]c1nnc(-c2ccccc2)s1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000225478758 569998636 /nfs/dbraw/zinc/99/86/36/569998636.db2.gz KCDNTPLKZIKGHP-UHFFFAOYSA-N -1 3 477.011 4.676 40 0 JJABHM CC(C)CSc1nnc([N-]C(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)s1 ZINC000225561442 570005864 /nfs/dbraw/zinc/00/58/64/570005864.db2.gz IRVYEIPQTLDQGH-UHFFFAOYSA-N -1 3 489.088 4.757 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)NCc1ccc(Cl)cc1Cl ZINC000408674708 570009392 /nfs/dbraw/zinc/00/93/92/570009392.db2.gz BLDGDELVJSIYCO-UHFFFAOYSA-N -1 3 497.375 4.937 40 0 JJABHM CCc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C ZINC000408674942 570009754 /nfs/dbraw/zinc/00/97/54/570009754.db2.gz FDYPHLZFYUOPKE-UHFFFAOYSA-N -1 3 456.539 4.823 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)c(C)c2)cc1 ZINC000408675069 570010012 /nfs/dbraw/zinc/01/00/12/570010012.db2.gz QJUBHOKLTSFVIH-UHFFFAOYSA-N -1 3 468.575 4.747 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCC3=CCCCC3)c(C)c2)cc1C ZINC000408675445 570010226 /nfs/dbraw/zinc/01/02/26/570010226.db2.gz ZKLJXIFFCJYHBF-UHFFFAOYSA-N -1 3 456.608 4.798 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)Nc1c(F)cccc1F ZINC000408675647 570010371 /nfs/dbraw/zinc/01/03/71/570010371.db2.gz KEUWWKXSDUHJNG-UHFFFAOYSA-N -1 3 466.893 4.745 40 0 JJABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2C)cc1Cl ZINC000408676402 570010642 /nfs/dbraw/zinc/01/06/42/570010642.db2.gz NOMLWQHGZJXQGU-UHFFFAOYSA-N -1 3 462.930 4.914 40 0 JJABHM COc1ccc(C(=O)CC(=C([O-])c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408687826 570014423 /nfs/dbraw/zinc/01/44/23/570014423.db2.gz VFKWQAIAYKBRDR-HSZRJFAPSA-N -1 3 456.947 4.955 40 0 JJABHM CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000408706110 570024985 /nfs/dbraw/zinc/02/49/85/570024985.db2.gz VJTISPTZZOOLQM-DEOSSOPVSA-N -1 3 468.575 4.909 40 0 JJABHM CCOc1ccc(NC(=O)C2([N-]S(=O)(=O)Cc3ccc(Cl)cc3F)CC2)c2ccccc12 ZINC000225928739 570028208 /nfs/dbraw/zinc/02/82/08/570028208.db2.gz AMOGYVANYPPTCQ-UHFFFAOYSA-N -1 3 476.957 4.622 40 0 JJABHM CCOc1cc(/C=C2\SC(Nc3cc(C)ccc3OC)NC2=O)cc(Br)c1[O-] ZINC000408806906 570047844 /nfs/dbraw/zinc/04/78/44/570047844.db2.gz NOQFUVGZZWLLFY-UHFFFAOYSA-N -1 3 464.361 4.633 40 0 JJABHM COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)cc(I)c1OC ZINC000408992551 570094449 /nfs/dbraw/zinc/09/44/49/570094449.db2.gz UCKIXKQYGMQKSF-UHFFFAOYSA-N -1 3 482.343 4.955 40 0 JJABHM CC(C)CN1C(=O)C2(C[C@H]1Cc1cccc(F)c1)CCN(Cc1ccc(C(=O)[O-])cc1)CC2 ZINC000257231200 570117381 /nfs/dbraw/zinc/11/73/81/570117381.db2.gz GFSQIOZBTFVPSI-XMMPIXPASA-N -1 3 452.570 4.606 40 0 JJABHM CC(C)CN1C(=O)C2(C[C@@H]1Cc1cccc(F)c1)CCN(Cc1ccc(C(=O)[O-])cc1)CC2 ZINC000257231199 570117391 /nfs/dbraw/zinc/11/73/91/570117391.db2.gz GFSQIOZBTFVPSI-DEOSSOPVSA-N -1 3 452.570 4.606 40 0 JJABHM COc1cccc([C@@H]2CN(Cc3ccccc3)C(=O)C23CCN(Cc2ccc(C(=O)[O-])cc2)CC3)c1 ZINC000257241653 570120641 /nfs/dbraw/zinc/12/06/41/570120641.db2.gz HYYLMDYIKWHUEB-MHZLTWQESA-N -1 3 484.596 4.802 40 0 JJABHM CC(C)CN1C(=O)C2(C[C@H]1Cc1cccc(F)c1)CCN(Cc1ccccc1C(=O)[O-])CC2 ZINC000257267667 570128889 /nfs/dbraw/zinc/12/88/89/570128889.db2.gz MIGZEPJQVXCQQD-HSZRJFAPSA-N -1 3 452.570 4.606 40 0 JJABHM O=c1[n-]c(SCc2ccccc2)n[n+]2c1-c1ccccc1N[C@@H]2c1ccc([O-])c(Br)c1 ZINC000261361568 570167195 /nfs/dbraw/zinc/16/71/95/570167195.db2.gz AAGFLXCSOKBEII-NRFANRHFSA-O -1 3 494.394 4.870 40 0 JJABHM CCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1cc([O-])ccc1Br ZINC000261362528 570167695 /nfs/dbraw/zinc/16/76/95/570167695.db2.gz KENVCMIBIAZRBK-IBGZPJMESA-O -1 3 474.404 4.860 40 0 JJABHM COc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)cc(Cl)c1[O-] ZINC000409228011 570176476 /nfs/dbraw/zinc/17/64/76/570176476.db2.gz ZEWFLELXSQMFHF-PXNMLYILSA-N -1 3 482.739 4.736 40 0 JJABHM CC(C)c1ccc(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2C)cc1 ZINC000408541594 570191652 /nfs/dbraw/zinc/19/16/52/570191652.db2.gz DJHDGAUTOLNTFK-UHFFFAOYSA-N -1 3 461.385 4.804 40 0 JJABHM O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)Nc1ccc(Cl)c(Cl)c1 ZINC000408545679 570192970 /nfs/dbraw/zinc/19/29/70/570192970.db2.gz ZTAXFKMHISRHBA-UHFFFAOYSA-N -1 3 474.167 4.977 40 0 JJABHM O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)Nc1ccc(Cl)c(Cl)c1 ZINC000408545679 570192969 /nfs/dbraw/zinc/19/29/69/570192969.db2.gz ZTAXFKMHISRHBA-UHFFFAOYSA-N -1 3 474.167 4.977 40 0 JJABHM C[C@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000408550461 570194949 /nfs/dbraw/zinc/19/49/49/570194949.db2.gz CLKXFSNTVDFVCN-INIZCTEOSA-N -1 3 489.391 4.506 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)cc1Cl ZINC000408553229 570195752 /nfs/dbraw/zinc/19/57/52/570195752.db2.gz PELQITIDLKKNLL-UHFFFAOYSA-N -1 3 474.966 4.784 40 0 JJABHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408556804 570197718 /nfs/dbraw/zinc/19/77/18/570197718.db2.gz JYNVDWDAZWDEAP-UHFFFAOYSA-N -1 3 452.866 4.680 40 0 JJABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408558381 570198920 /nfs/dbraw/zinc/19/89/20/570198920.db2.gz RCVYMUUBGOOMNH-UHFFFAOYSA-N -1 3 487.965 4.750 40 0 JJABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408561442 570201044 /nfs/dbraw/zinc/20/10/44/570201044.db2.gz SNNZNNICIJHPLW-UHFFFAOYSA-N -1 3 490.965 4.809 40 0 JJABHM Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2Cl)c1C ZINC000408563253 570202216 /nfs/dbraw/zinc/20/22/16/570202216.db2.gz UZOYVSJEGXXTMF-UHFFFAOYSA-N -1 3 462.930 4.914 40 0 JJABHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000408582626 570206993 /nfs/dbraw/zinc/20/69/93/570206993.db2.gz DTOMVZMKQIXITF-OAHLLOKOSA-N -1 3 463.386 4.566 40 0 JJABHM CC(C)CNC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1 ZINC000408587334 570208316 /nfs/dbraw/zinc/20/83/16/570208316.db2.gz BMUFKWBIFJIOLB-UHFFFAOYSA-N -1 3 453.564 4.844 40 0 JJABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2Cl)cc1Cl ZINC000408592009 570209377 /nfs/dbraw/zinc/20/93/77/570209377.db2.gz NAKIDEDDARKRKE-UHFFFAOYSA-N -1 3 499.347 4.959 40 0 JJABHM CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3[O-])n2Cc2ccccc2)cc1 ZINC000001223741 194075357 /nfs/dbraw/zinc/07/53/57/194075357.db2.gz VKINMWIYGJRCQK-UHFFFAOYSA-N -1 3 458.543 4.632 40 0 JJABHM COc1ccc(NC(=O)CSc2nnc(-c3ccccc3[O-])n2-c2ccc(C)cc2)c(OC)c1 ZINC000001223780 194075510 /nfs/dbraw/zinc/07/55/10/194075510.db2.gz QGGSZHLZAPLRMP-UHFFFAOYSA-N -1 3 476.558 4.696 40 0 JJABHM CC(C)(C)c1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(Cl)cc2)cc1 ZINC000016711598 519051124 /nfs/dbraw/zinc/05/11/24/519051124.db2.gz RCVLCXATELFIOA-CSODHUTKSA-N -1 3 454.876 4.741 40 0 JJABHM CC(C)Oc1cccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)c1 ZINC000020454305 519783109 /nfs/dbraw/zinc/78/31/09/519783109.db2.gz IODBSNURIJUOOT-UHFFFAOYSA-N -1 3 458.967 4.858 40 0 JJABHM CCOC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)c1 ZINC000030751204 521543973 /nfs/dbraw/zinc/54/39/73/521543973.db2.gz XCVJJTYVIHZVIS-UHFFFAOYSA-N -1 3 472.950 4.878 40 0 JJABHM COC(=O)c1ccc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)c1 ZINC000020481881 521988258 /nfs/dbraw/zinc/98/82/58/521988258.db2.gz KAZYXQVDOZITSP-UHFFFAOYSA-N -1 3 472.950 4.797 40 0 JJABHM CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000044846948 522886383 /nfs/dbraw/zinc/88/63/83/522886383.db2.gz VCSOAUQETTVXRN-QFIPXVFZSA-N -1 3 474.966 4.946 40 0 JJABHM CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000022530487 523039451 /nfs/dbraw/zinc/03/94/51/523039451.db2.gz JMJVNSIEQPCAEA-XMMPIXPASA-N -1 3 468.575 4.909 40 0 JJABHM COCc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[n-]c(=O)c1CCc1ccccc1 ZINC000022448765 523211868 /nfs/dbraw/zinc/21/18/68/523211868.db2.gz FWGQCXWAWVNKFO-UHFFFAOYSA-N -1 3 494.639 4.613 40 0 JJABHM COc1ccc(CCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000020460711 523937430 /nfs/dbraw/zinc/93/74/30/523937430.db2.gz UFZKDELFURWBGO-UHFFFAOYSA-N -1 3 458.967 4.512 40 0 JJABHM Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1C ZINC000022537006 524333278 /nfs/dbraw/zinc/33/32/78/524333278.db2.gz ZZKLLNOXPPYPNX-IBGZPJMESA-N -1 3 470.566 4.808 40 0 JJABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3cc(C)c(C)cc3C)cc2)c1 ZINC000022536915 524692204 /nfs/dbraw/zinc/69/22/04/524692204.db2.gz MPANQTOGEKKFHV-NRFANRHFSA-N -1 3 466.603 4.977 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(F)cc3)c(Cl)c2)cc1 ZINC000022537533 524694025 /nfs/dbraw/zinc/69/40/25/524694025.db2.gz YBWRNIHGWAKATQ-OAHLLOKOSA-N -1 3 492.956 4.545 40 0 JJABHM C[C@@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc(F)cc1 ZINC000022537043 525118974 /nfs/dbraw/zinc/11/89/74/525118974.db2.gz PMGYZOCEZJWJTD-OAHLLOKOSA-N -1 3 496.482 4.902 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(F)cc3)c(C)c2)cc1C ZINC000022537388 525301427 /nfs/dbraw/zinc/30/14/27/525301427.db2.gz RFFNAMGEQLFRIQ-LJQANCHMSA-N -1 3 470.566 4.808 40 0 JJABHM COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2C)cc1 ZINC000020022562 525307457 /nfs/dbraw/zinc/30/74/57/525307457.db2.gz STZCOUJVFMPNSV-FQEVSTJZSA-N -1 3 482.602 4.677 40 0 JJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCN3CCc4ccccc43)cc2Cl)cc1 ZINC000022513265 525597981 /nfs/dbraw/zinc/59/79/81/525597981.db2.gz QEJQMMZDPODMJP-UHFFFAOYSA-N -1 3 484.021 4.632 40 0 JJABHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc(Br)c2)[C@@H]3c2ccc(C)cc2)c1 ZINC000012447686 526140362 /nfs/dbraw/zinc/14/03/62/526140362.db2.gz VSXXGGUJNSHFKH-ZRBLBEILSA-N -1 3 493.357 4.817 40 0 JJABHM [O-]C(c1ccccc1)=C1[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000006148072 526797632 /nfs/dbraw/zinc/79/76/32/526797632.db2.gz PQOYHSQLTFQGID-LGVFNWMJSA-N -1 3 486.515 4.534 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)NC(c1ccccc1)c1ccccc1 ZINC000016477803 526967130 /nfs/dbraw/zinc/96/71/30/526967130.db2.gz QNITUMLTFNKTRO-UHFFFAOYSA-N -1 3 472.566 4.772 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000016490388 526967297 /nfs/dbraw/zinc/96/72/97/526967297.db2.gz ZXEGNZKMOLXIEE-UHFFFAOYSA-N -1 3 451.331 4.812 40 0 JJABHM O=C(Nc1cccc(Cl)c1)C1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[n-]c(=O)c21 ZINC000040399550 527342828 /nfs/dbraw/zinc/34/28/28/527342828.db2.gz YMQPLWWMXSUWIJ-LBPRGKRZSA-N -1 3 478.723 4.538 40 0 JJABHM Cc1nn(-c2ccc(C(F)(F)F)cc2)c(C)c1[C@@H]1C=C[C@@H]([N-]S(=O)(=O)c2cccs2)C1 ZINC000008624040 527521854 /nfs/dbraw/zinc/52/18/54/527521854.db2.gz PLHWSRIZCLCMOL-NVXWUHKLSA-N -1 3 467.538 4.960 40 0 biogenic,in-vitro JJABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(Br)c2)cc1 ZINC000096295633 536665101 /nfs/dbraw/zinc/66/51/01/536665101.db2.gz WYVWBPPALSLZKV-BDTNDASRSA-N -1 3 479.330 4.509 40 0 JJABHM CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3[O-])n2-c2ccccc2OC)cc1 ZINC000000915896 553846014 /nfs/dbraw/zinc/84/60/14/553846014.db2.gz QIJNAGRTRMTNCM-UHFFFAOYSA-N -1 3 460.559 4.942 40 0 JJABHM CCOc1ccccc1NC(=O)CSc1nnc(-c2cc3ccccc3cc2[O-])n1CCOC ZINC000006631531 554556680 /nfs/dbraw/zinc/55/66/80/554556680.db2.gz JEJIFYCYHSXBEJ-UHFFFAOYSA-N -1 3 478.574 4.580 40 0 JJABHM CC(=O)[C@H]1C(=C([O-])c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 ZINC000009013763 554865267 /nfs/dbraw/zinc/86/52/67/554865267.db2.gz GTXSJEFBMPBIQJ-YKKMPQLRSA-N -1 3 468.940 4.902 40 0 JJABHM Cc1ccc(CN2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(C)c4)cc3)CC2)cc1 ZINC000009063149 554880783 /nfs/dbraw/zinc/88/07/83/554880783.db2.gz WHGMSUWJLIYSBZ-UHFFFAOYSA-N -1 3 477.630 4.955 40 0 JJABHM O=C(c1ccccc1)[C@H]1C(=C([O-])c2ccccn2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000009111566 554899042 /nfs/dbraw/zinc/89/90/42/554899042.db2.gz NHAQAWKNVZFSDC-FFAHVWSXSA-N -1 3 497.554 4.938 40 0 JJABHM O=c1cc(CSc2nc3ccccc3o2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[n-]1 ZINC000013611744 555534461 /nfs/dbraw/zinc/53/44/61/555534461.db2.gz CACVJBNWHABDEZ-UHFFFAOYSA-N -1 3 487.507 4.549 40 0 JJABHM Cc1ccc(F)cc1NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000019931230 555548560 /nfs/dbraw/zinc/54/85/60/555548560.db2.gz ACPNVYHPTZBPEC-FQEVSTJZSA-N -1 3 481.376 4.969 40 0 JJABHM O=C(Nc1cc(F)ccc1F)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000019931220 555548602 /nfs/dbraw/zinc/54/86/02/555548602.db2.gz LPFWDBVSUXIKPC-LJQANCHMSA-N -1 3 485.339 4.800 40 0 JJABHM O=C(Nc1ccc(F)c(F)c1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000019931226 555548657 /nfs/dbraw/zinc/54/86/57/555548657.db2.gz IGICRXSSEFUHAW-IBGZPJMESA-N -1 3 485.339 4.800 40 0 JJABHM O=C(Cc1cnc(-c2ccc(Cl)cc2)[n-]c1=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019937674 555554262 /nfs/dbraw/zinc/55/42/62/555554262.db2.gz DWMLRPGSBIPLFY-UHFFFAOYSA-N -1 3 499.014 4.567 40 0 JJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000020009702 555585630 /nfs/dbraw/zinc/58/56/30/555585630.db2.gz CHFVMWXHBMTOCS-LJQANCHMSA-N -1 3 497.375 4.669 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H]3CCCc4ccccc43)cc2)cc1C ZINC000020019995 555596326 /nfs/dbraw/zinc/59/63/26/555596326.db2.gz UCTVZVZVOIINAA-VWLOTQADSA-N -1 3 464.587 4.677 40 0 JJABHM CSc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000020020701 555597867 /nfs/dbraw/zinc/59/78/67/555597867.db2.gz CYNZYHGZTONBBC-MRXNPFEDSA-N -1 3 474.579 4.605 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H]3CCCc4ccccc43)c(C)c2)cc1C ZINC000020022582 555600360 /nfs/dbraw/zinc/60/03/60/555600360.db2.gz SSIZMNHXAYXXLX-VWLOTQADSA-N -1 3 478.614 4.985 40 0 JJABHM COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000020111767 555649062 /nfs/dbraw/zinc/64/90/62/555649062.db2.gz KIKYIJGOPUDYBR-QGZVFWFLSA-N -1 3 456.589 4.924 40 0 JJABHM COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000014006481 555668516 /nfs/dbraw/zinc/66/85/16/555668516.db2.gz VQGABBHWHHYYCT-SFHVURJKSA-N -1 3 454.548 4.519 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](CC)Oc3ccccc3)cc2)cc1 ZINC000014024228 555674403 /nfs/dbraw/zinc/67/44/03/555674403.db2.gz ATCOHQCEEKIJDD-HSZRJFAPSA-N -1 3 454.548 4.682 40 0 JJABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cc(OC)cc(OC)c4)ccc3[O-])nc2c1 ZINC000014275183 555780120 /nfs/dbraw/zinc/78/01/20/555780120.db2.gz PKUJKIXHZGWLOP-UHFFFAOYSA-N -1 3 477.542 4.907 40 0 JJABHM CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000014399207 555804929 /nfs/dbraw/zinc/80/49/29/555804929.db2.gz ASERLXIWHDWGOC-QHCPKHFHSA-N -1 3 468.575 4.909 40 0 JJABHM CSc1nnc2c(n1)O[C@H](c1ccc([O-])c(Br)c1)Nc1ccc(Br)cc1-2 ZINC000015016396 555857745 /nfs/dbraw/zinc/85/77/45/555857745.db2.gz BEISWKNSULKDSX-OAHLLOKOSA-N -1 3 496.184 4.994 40 0 JJABHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc(Br)c2)[C@H]3c2ccc(C)cc2)c1 ZINC000015024618 555864681 /nfs/dbraw/zinc/86/46/81/555864681.db2.gz VSXXGGUJNSHFKH-VABKMULXSA-N -1 3 493.357 4.817 40 0 JJABHM COC(=O)C(CC(=O)Nc1ccc(Cl)c(Cl)c1)=C([O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000017194870 556238076 /nfs/dbraw/zinc/23/80/76/556238076.db2.gz GZJNZEIEHIZICR-LLVKDONJSA-N -1 3 492.142 4.626 40 0 JJABHM COC(=O)C(CC(=O)Nc1ccc(C)cc1)=C([O-])C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000017197204 556238913 /nfs/dbraw/zinc/23/89/13/556238913.db2.gz AIVPBQFJQLZJJC-NRFANRHFSA-N -1 3 452.551 4.567 40 0 JJABHM COc1cccc([C@H]2[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000018006709 556275415 /nfs/dbraw/zinc/27/54/15/556275415.db2.gz BLTQNZDLBFLECQ-FSSWDIPSSA-N -1 3 468.431 4.765 40 0 JJABHM Cc1ccc(NC(=O)N2CCC(c3nc4c(nnn4Cc4ccc(C(C)(C)C)cc4)c(=O)[n-]3)CC2)cc1 ZINC000013083142 556279178 /nfs/dbraw/zinc/27/91/78/556279178.db2.gz KCRYJMBEYWTODO-UHFFFAOYSA-N -1 3 499.619 4.993 40 0 JJABHM O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)CC1 ZINC000013083255 556279467 /nfs/dbraw/zinc/27/94/67/556279467.db2.gz SJTCCGUUYBOZGL-UHFFFAOYSA-N -1 3 490.567 4.662 40 0 JJABHM O=C(C1CCCCC1)N1CCC[C@@H](c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[n-]2)C1 ZINC000013083633 556280255 /nfs/dbraw/zinc/28/02/55/556280255.db2.gz TVPSKXBLSASZRW-OAHLLOKOSA-N -1 3 489.407 4.568 40 0 JJABHM Cc1cccc(C(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4c(Cl)cccc4Cl)c(=O)[n-]3)C2)c1 ZINC000013083623 556280380 /nfs/dbraw/zinc/28/03/80/556280380.db2.gz RQGVJYVBQLKAJW-MRXNPFEDSA-N -1 3 497.386 4.610 40 0 JJABHM COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc5ccccc5c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000018176052 556298253 /nfs/dbraw/zinc/29/82/53/556298253.db2.gz ICACOPHHXSRWJD-GSDHBNRESA-N -1 3 450.494 4.900 40 0 JJABHM COc1cc([C@@H]2Nc3c(sc(=S)n3-c3ccccc3)C(=O)N2)cc(Br)c1[O-] ZINC000059459473 569604122 /nfs/dbraw/zinc/60/41/22/569604122.db2.gz OZHKLJRFAKVSSA-OAHLLOKOSA-N -1 3 464.366 4.599 40 0 JJABHM COc1ccc(-c2csc(NC(=S)[N-]C(=O)COc3ccc(Cl)cc3C)n2)cc1OC ZINC000033608194 569628670 /nfs/dbraw/zinc/62/86/70/569628670.db2.gz MIJFLIUOKLBVHR-UHFFFAOYSA-N -1 3 477.995 4.681 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(C)C)cc3)cc2)cc1 ZINC000035105056 569674969 /nfs/dbraw/zinc/67/49/69/569674969.db2.gz MKHUBQCYHCAHEQ-UHFFFAOYSA-N -1 3 454.548 4.637 40 0 JJABHM CCc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000035131725 569675559 /nfs/dbraw/zinc/67/55/59/569675559.db2.gz BPSCJOPQVCVBLZ-UHFFFAOYSA-N -1 3 452.576 4.993 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)cc2)cc1 ZINC000035352334 569681737 /nfs/dbraw/zinc/68/17/37/569681737.db2.gz KNXZCPQHWAAUAU-UHFFFAOYSA-N -1 3 468.575 4.829 40 0 JJABHM Cc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(Br)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000095346126 569722267 /nfs/dbraw/zinc/72/22/67/569722267.db2.gz ZBBNWERRMZMRTL-FKBYEOEOSA-N -1 3 463.331 4.809 40 0 JJABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2OC)cc1 ZINC000095483648 569725116 /nfs/dbraw/zinc/72/51/16/569725116.db2.gz QJBDARGNEBVBEL-GVAUOCQISA-N -1 3 458.514 4.535 40 0 JJABHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000096178809 569736982 /nfs/dbraw/zinc/73/69/82/569736982.db2.gz LWPNXNWVCGBEOG-VSKRKVRLSA-N -1 3 476.554 4.593 40 0 JJABHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc(Br)c2)[C@H]3c2ccc(C)cc2)c1 ZINC000100222326 569755701 /nfs/dbraw/zinc/75/57/01/569755701.db2.gz VSXXGGUJNSHFKH-VJBWXMMDSA-N -1 3 493.357 4.817 40 0 JJABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000100577958 569765172 /nfs/dbraw/zinc/76/51/72/569765172.db2.gz FRWUBWTWOBDLHQ-VSKRKVRLSA-N -1 3 452.869 4.539 40 0 JJABHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Br)cc2)cc1 ZINC000100859212 569772650 /nfs/dbraw/zinc/77/26/50/569772650.db2.gz KVVBYYXTADNERO-FKBYEOEOSA-N -1 3 479.330 4.509 40 0 JJABHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Br)cc2)cc1 ZINC000100888506 569774396 /nfs/dbraw/zinc/77/43/96/569774396.db2.gz DZYCNEOIDRKCLN-VSKRKVRLSA-N -1 3 463.331 4.809 40 0 JJABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000101024349 569779814 /nfs/dbraw/zinc/77/98/14/569779814.db2.gz UCAUEEWOGIPRCQ-ZNZIZOMTSA-N -1 3 488.540 4.544 40 0 JJABHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccc(C(F)(F)F)cc1 ZINC000101190024 569786572 /nfs/dbraw/zinc/78/65/72/569786572.db2.gz HTJTWHGBPTWKES-ACRUOGEOSA-N -1 3 456.395 4.896 40 0 JJABHM COc1ccc(Br)cc1[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C([O-])=C2ON1c1ccccc1 ZINC000101199644 569786958 /nfs/dbraw/zinc/78/69/58/569786958.db2.gz VNERRIBWWMXGQO-FSSWDIPSSA-N -1 3 497.320 4.648 40 0 JJABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 ZINC000039759780 569811523 /nfs/dbraw/zinc/81/15/23/569811523.db2.gz JYPDNYUZJRTKRU-UHFFFAOYSA-N -1 3 481.593 4.786 40 0 JJABHM COc1cccc([C@H]2[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102706906 569816596 /nfs/dbraw/zinc/81/65/96/569816596.db2.gz BLTQNZDLBFLECQ-BHIFYINESA-N -1 3 468.431 4.765 40 0 JJABHM COc1ccc(Br)cc1[C@H]1[C@H]2C(=O)N(c3ccc(C)cc3)C([O-])=C2ON1c1ccccc1 ZINC000102761809 569822254 /nfs/dbraw/zinc/82/22/54/569822254.db2.gz ZYUISDLOMKBHPH-XPWALMASSA-N -1 3 493.357 4.817 40 0 JJABHM O=C(Nc1cccc(Cl)c1Cl)C1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000040399390 569826532 /nfs/dbraw/zinc/82/65/32/569826532.db2.gz QYNSQHWBNPOQAI-LLVKDONJSA-N -1 3 478.723 4.538 40 0 JJABHM O=C(Nc1ccc(Cl)cc1)C1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[n-]c(=O)c21 ZINC000040399472 569826693 /nfs/dbraw/zinc/82/66/93/569826693.db2.gz XXKODEXPCSNHTG-AWEZNQCLSA-N -1 3 478.723 4.538 40 0 JJABHM Cc1ccc(Cl)cc1NC(=O)C1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[n-]c(=O)c21 ZINC000040399566 569826779 /nfs/dbraw/zinc/82/67/79/569826779.db2.gz DEPBDFYJINZHMS-LBPRGKRZSA-N -1 3 492.750 4.847 40 0 JJABHM O=C(Nc1cccc(Cl)c1)C1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[n-]c(=O)c21 ZINC000040399549 569826783 /nfs/dbraw/zinc/82/67/83/569826783.db2.gz YMQPLWWMXSUWIJ-GFCCVEGCSA-N -1 3 478.723 4.538 40 0 JJABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(Cl)cc4Cl)[n-]c(=O)c32)c(Cl)c1 ZINC000040399580 569826835 /nfs/dbraw/zinc/82/68/35/569826835.db2.gz OCOLKMQLSWQUOI-LLVKDONJSA-N -1 3 492.750 4.847 40 0 JJABHM Cc1ccc(Nc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(Oc4ccccc4)cc2)CC(=O)N3)cc1 ZINC000040400425 569827496 /nfs/dbraw/zinc/82/74/96/569827496.db2.gz VRUKMFIDTZYXEV-OAQYLSRUSA-N -1 3 481.512 4.679 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c(C)c2)cc1 ZINC000107618005 569856724 /nfs/dbraw/zinc/85/67/24/569856724.db2.gz FBKUHNIZUNJATM-UHFFFAOYSA-N -1 3 462.930 4.914 40 0 JJABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2C)cc1Cl ZINC000108117918 569858713 /nfs/dbraw/zinc/85/87/13/569858713.db2.gz MMWJRENMXPAHFV-UHFFFAOYSA-N -1 3 474.966 4.784 40 0 JJABHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(Cl)c1 ZINC000216284234 569878129 /nfs/dbraw/zinc/87/81/29/569878129.db2.gz HFKAJPOTIMIGLZ-UHFFFAOYSA-N -1 3 463.342 4.848 40 0 JJABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3cccc4ccccc43)cc2)c1 ZINC000222693633 569888721 /nfs/dbraw/zinc/88/87/21/569888721.db2.gz GCONVZBRGSNXJI-UHFFFAOYSA-N -1 3 474.582 4.953 40 0 JJABHM Cc1cccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c1 ZINC000222728729 569889682 /nfs/dbraw/zinc/88/96/82/569889682.db2.gz ADSSAPGKZQQDQT-UHFFFAOYSA-N -1 3 478.492 4.510 40 0 JJABHM CN(C(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc(F)cc1 ZINC000222730683 569889732 /nfs/dbraw/zinc/88/97/32/569889732.db2.gz XNMUEAHJUMYIFS-UHFFFAOYSA-N -1 3 482.455 4.687 40 0 JJABHM CC(C)C[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccccc1 ZINC000224204357 569936401 /nfs/dbraw/zinc/93/64/01/569936401.db2.gz IKZXMBXYHZVEME-KRWDZBQOSA-N -1 3 465.000 4.510 40 0 JJABHM O=C(NCCOc1ccccc1Cl)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000224407921 569943595 /nfs/dbraw/zinc/94/35/95/569943595.db2.gz ARNMWSFISIROET-UHFFFAOYSA-N -1 3 465.358 4.603 40 0 JJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCOc3cccc(C)c3)cc2Cl)cc1 ZINC000224410067 569943747 /nfs/dbraw/zinc/94/37/47/569943747.db2.gz SMYJVVQVIZPTBN-UHFFFAOYSA-N -1 3 458.967 4.566 40 0 JJABHM CCc1ccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000224410799 569943749 /nfs/dbraw/zinc/94/37/49/569943749.db2.gz CSSDIDPNJHRQKL-UHFFFAOYSA-N -1 3 472.994 4.820 40 0 JJABHM O=C(COc1ccc2ccccc2c1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000224576195 569949185 /nfs/dbraw/zinc/94/91/85/569949185.db2.gz GCJRQPBYYGGUAT-UHFFFAOYSA-N -1 3 450.491 4.797 40 0 JJABHM Cc1[nH]c(C)c([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1I ZINC000224592993 569949784 /nfs/dbraw/zinc/94/97/84/569949784.db2.gz OESXQZSHDJTHOR-OALUTQOASA-N -1 3 490.370 4.514 40 0 JJABHM Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c(C)n1Cc1ccncc1 ZINC000224593920 569949844 /nfs/dbraw/zinc/94/98/44/569949844.db2.gz FOCZABSYTQWOPY-LOSJGSFVSA-N -1 3 455.587 4.826 40 0 JJABHM COC(=O)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])cc1 ZINC000224623485 569951211 /nfs/dbraw/zinc/95/12/11/569951211.db2.gz IBNBVCDWANRWRG-RPWUZVMVSA-N -1 3 470.554 4.542 40 0 JJABHM COC(=O)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])cc1 ZINC000224623533 569951215 /nfs/dbraw/zinc/95/12/15/569951215.db2.gz IBNBVCDWANRWRG-BJKOFHAPSA-N -1 3 470.554 4.542 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccccc3Cl)cc2)cc1Cl ZINC000408595153 569966014 /nfs/dbraw/zinc/96/60/14/569966014.db2.gz UBTOSOKKWUYAKB-UHFFFAOYSA-N -1 3 479.385 4.798 40 0 JJABHM O=C(NCc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408595460 569966211 /nfs/dbraw/zinc/96/62/11/569966211.db2.gz QHICSCZFLARRCB-HXUWFJFHSA-N -1 3 497.831 4.853 40 0 JJABHM O=C(NCc1ccc(Cl)cc1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408595456 569966229 /nfs/dbraw/zinc/96/62/29/569966229.db2.gz QHICSCZFLARRCB-FQEVSTJZSA-N -1 3 497.831 4.853 40 0 JJABHM Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000408597657 569967508 /nfs/dbraw/zinc/96/75/08/569967508.db2.gz VRPSYGDMOXFJRZ-NRFANRHFSA-N -1 3 477.413 4.508 40 0 JJABHM Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000408598389 569968050 /nfs/dbraw/zinc/96/80/50/569968050.db2.gz ZRSXGOXOQQDBPY-HXUWFJFHSA-N -1 3 463.386 4.830 40 0 JJABHM CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1 ZINC000408602157 569969402 /nfs/dbraw/zinc/96/94/02/569969402.db2.gz HZIDXGRSLUGDHZ-HXUWFJFHSA-N -1 3 482.602 4.606 40 0 JJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000408611863 569972948 /nfs/dbraw/zinc/97/29/48/569972948.db2.gz XCUIHSQBOUUUNW-QMMMGPOBSA-N -1 3 472.177 4.614 40 0 JJABHM Cc1ccc(-c2nnc([N-]C(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)s2)cc1 ZINC000225075345 569973542 /nfs/dbraw/zinc/97/35/42/569973542.db2.gz OLOWNIFYJXSURI-UHFFFAOYSA-N -1 3 477.011 4.594 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1 ZINC000408627250 569981049 /nfs/dbraw/zinc/98/10/49/569981049.db2.gz YUIFJRFGYCWITH-UHFFFAOYSA-N -1 3 474.966 4.865 40 0 JJABHM CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2Cl)cc1 ZINC000408635938 569986233 /nfs/dbraw/zinc/98/62/33/569986233.db2.gz KDSWBBCNMCNNGD-UHFFFAOYSA-N -1 3 490.965 4.566 40 0 JJABHM Cc1ccc([O-])c(N2C(=O)[C@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 ZINC000408648031 569992553 /nfs/dbraw/zinc/99/25/53/569992553.db2.gz CBUFGIWKDAKPJY-JUJAOGAQSA-N -1 3 450.321 4.798 40 0 JJABHM Cc1cccc([C@H]([N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)c2ccccc2)c1 ZINC000225501322 570000402 /nfs/dbraw/zinc/00/04/02/570000402.db2.gz KCRYNMYVZDCXRE-HXUWFJFHSA-N -1 3 499.017 4.820 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(C)c2)cc1 ZINC000408674808 570009507 /nfs/dbraw/zinc/00/95/07/570009507.db2.gz IJZRGWVBAZZAEZ-UHFFFAOYSA-N -1 3 474.966 4.865 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)CCc3ccccc3)c(C)c2)cc1 ZINC000408674816 570009520 /nfs/dbraw/zinc/00/95/20/570009520.db2.gz IRXYEWIUWNRFCB-NRFANRHFSA-N -1 3 496.629 4.711 40 0 JJABHM Cc1cc(C)c(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2C)c(C)c1 ZINC000408675597 570010430 /nfs/dbraw/zinc/01/04/30/570010430.db2.gz JKLWRXLKUHYPSM-UHFFFAOYSA-N -1 3 456.539 4.878 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](CC)Oc3ccccc3OC)cc2)cc1 ZINC000408677462 570010961 /nfs/dbraw/zinc/01/09/61/570010961.db2.gz CZCGVFPZAZPGHP-JOCHJYFZSA-N -1 3 484.574 4.691 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(C)c(C)c3)cc2)cc1 ZINC000408678134 570011281 /nfs/dbraw/zinc/01/12/81/570011281.db2.gz GCIJMKIYLIZULO-SFHVURJKSA-N -1 3 454.548 4.519 40 0 JJABHM COc1ccc(C([O-])=C(CC(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408679431 570011704 /nfs/dbraw/zinc/01/17/04/570011704.db2.gz FBASSOVUELBGIA-QHCPKHFHSA-N -1 3 456.947 4.955 40 0 JJABHM COc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1 ZINC000408705652 570024885 /nfs/dbraw/zinc/02/48/85/570024885.db2.gz KNHFKDJRFJPRSC-HNNXBMFYSA-N -1 3 460.939 4.555 40 0 JJABHM COc1cc(/C=C2\SC(Nc3ccc(Cl)cc3C)NC2=O)cc(Br)c1[O-] ZINC000408804955 570047092 /nfs/dbraw/zinc/04/70/92/570047092.db2.gz HPXLNVMBLSDAHF-UHFFFAOYSA-N -1 3 454.753 4.888 40 0 JJABHM O=C1[C@H]2C(=C([O-])N1c1ccc(Br)cc1)ON(c1ccccc1)[C@@H]2C=Cc1ccccc1 ZINC000238900283 570047379 /nfs/dbraw/zinc/04/73/79/570047379.db2.gz IOHXZAQEYNFZBB-DNVJHFABSA-N -1 3 475.342 4.841 40 0 JJABHM O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1 ZINC000408927162 570078820 /nfs/dbraw/zinc/07/88/20/570078820.db2.gz YLYRXHPRRSSQJR-UHFFFAOYSA-N -1 3 451.331 4.812 40 0 JJABHM O=C([C@@H]1[C@@H](c2ccc(Cl)cc2Cl)NC(=O)[N-][C@]1(O)c1ccc(Cl)cc1)C(F)(F)F ZINC000254450106 570105740 /nfs/dbraw/zinc/10/57/40/570105740.db2.gz CPLRLNTYQAYHPM-VBQJREDUSA-N -1 3 467.658 4.594 40 0 JJABHM CN1C(=O)C2(C[C@@H]1Cc1ccccc1)CCN(Cc1cc(C(C)(C)C)ccc1OCC(=O)[O-])CC2 ZINC000257203229 570108752 /nfs/dbraw/zinc/10/87/52/570108752.db2.gz APDMWTPXHVMPKE-DEOSSOPVSA-N -1 3 478.633 4.503 40 0 JJABHM COc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc(I)c1[O-] ZINC000409055945 570111704 /nfs/dbraw/zinc/11/17/04/570111704.db2.gz DLJJTCBJLWOYTO-ZSOIEALJSA-N -1 3 487.702 4.900 40 0 JJABHM Cc1ccc2c(c1)OC(C)(C)[C@@H]1C[C@H]3CN(Cc4cc(C)c(O)c(C(=O)[O-])c4)CC[C@H]3O[C@@H]21 ZINC000257237334 570119299 /nfs/dbraw/zinc/11/92/99/570119299.db2.gz HGAHOYBZYOHGPM-SKSFXJLCSA-N -1 3 451.563 4.847 40 0 JJABHM CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CCN(Cc4ccc(OCC(=O)[O-])cc4)C[C@@H]3C[C@H]21 ZINC000257239626 570120103 /nfs/dbraw/zinc/12/01/03/570120103.db2.gz HQDQUPKNDRXVQD-CWYGMBDRSA-N -1 3 471.981 4.943 40 0 JJABHM COc1cccc([C@@H]2CN(Cc3ccccc3)C(=O)C23CCN(Cc2ccccc2C(=O)[O-])CC3)c1 ZINC000257258216 570125645 /nfs/dbraw/zinc/12/56/45/570125645.db2.gz KSVRZPBODLKJLR-MHZLTWQESA-N -1 3 484.596 4.802 40 0 JJABHM CC(C)CN1C(=O)C2(C[C@@H]1Cc1cccc(F)c1)CCN(Cc1ccccc1C(=O)[O-])CC2 ZINC000257267668 570128854 /nfs/dbraw/zinc/12/88/54/570128854.db2.gz MIGZEPJQVXCQQD-QHCPKHFHSA-N -1 3 452.570 4.606 40 0 JJABHM CC1(C)Oc2ccccc2[C@H]2OCC3(CCN(Cc4ccccc4OCC(=O)[O-])CC3)C[C@@H]21 ZINC000257278295 570132211 /nfs/dbraw/zinc/13/22/11/570132211.db2.gz OBRJFCPFSJWREF-SQJMNOBHSA-N -1 3 451.563 4.681 40 0 JJABHM COc1cccc([C@@H]2CN(Cc3ccccc3)C(=O)C23CCN(Cc2cccc(C(=O)[O-])c2)CC3)c1 ZINC000257291610 570135985 /nfs/dbraw/zinc/13/59/85/570135985.db2.gz QHVWLAVAENKWBA-MHZLTWQESA-N -1 3 484.596 4.802 40 0 JJABHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)cc(Cl)c1[O-] ZINC000409161905 570152263 /nfs/dbraw/zinc/15/22/63/570152263.db2.gz WTPMRDQSAIWSEW-YVLHZVERSA-N -1 3 460.939 4.736 40 0 JJABHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(CC)cc3)C2=O)cc(Cl)c1[O-] ZINC000409179586 570158490 /nfs/dbraw/zinc/15/84/90/570158490.db2.gz SKHMVGBSPALFPF-WQRHYEAKSA-N -1 3 460.939 4.682 40 0 JJABHM COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc(Cl)c1[O-] ZINC000409218883 570173732 /nfs/dbraw/zinc/17/37/32/570173732.db2.gz IFQGCZZEQSJTRJ-UUASQNMZSA-N -1 3 471.293 4.522 40 0 JJABHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc(Cl)c1[O-] ZINC000409226229 570175924 /nfs/dbraw/zinc/17/59/24/570175924.db2.gz PYUKYXRZXABSET-APSNUPSMSA-N -1 3 485.320 4.912 40 0 JJABHM COc1cc(-c2nc3ccccc3c(=O)[n-]2)ccc1OC(=O)c1ccccc1Br ZINC000409260542 570187601 /nfs/dbraw/zinc/18/76/01/570187601.db2.gz RTYOMSQCIHVLSQ-UHFFFAOYSA-N -1 3 451.276 4.993 40 0 JJABHM Cn1c(SCC(=O)Nc2ccccc2C(F)F)nnc1-c1cc(Br)ccc1[O-] ZINC000408543617 570192121 /nfs/dbraw/zinc/19/21/21/570192121.db2.gz PJUXQZAKTXCSJF-UHFFFAOYSA-N -1 3 469.311 4.619 40 0 JJABHM C[C@@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000408550462 570195006 /nfs/dbraw/zinc/19/50/06/570195006.db2.gz CLKXFSNTVDFVCN-MRXNPFEDSA-N -1 3 489.391 4.506 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1Cl ZINC000408551912 570195391 /nfs/dbraw/zinc/19/53/91/570195391.db2.gz JOMMPRRGTXWCIM-UHFFFAOYSA-N -1 3 474.966 4.784 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)Nc1cccc(Cl)c1 ZINC000408552766 570195643 /nfs/dbraw/zinc/19/56/43/570195643.db2.gz NPOZYFQDZCHOCA-UHFFFAOYSA-N -1 3 495.782 4.921 40 0 JJABHM Cc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c1 ZINC000408554434 570196187 /nfs/dbraw/zinc/19/61/87/570196187.db2.gz RYABVBBCVCJYNK-UHFFFAOYSA-N -1 3 475.364 4.576 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)Nc1c(F)cccc1F ZINC000408559859 570200114 /nfs/dbraw/zinc/20/01/14/570200114.db2.gz NCNNORRVISYLMJ-UHFFFAOYSA-N -1 3 497.317 4.546 40 0 JJABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408561253 570200909 /nfs/dbraw/zinc/20/09/09/570200909.db2.gz RNCODTSFMKFGHD-UHFFFAOYSA-N -1 3 490.965 4.809 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)Nc1ccccc1F ZINC000408561600 570201160 /nfs/dbraw/zinc/20/11/60/570201160.db2.gz TZCXGCFKAORMQS-UHFFFAOYSA-N -1 3 468.428 4.663 40 0 JJABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)CCc3ccccc3)cc2)c1 ZINC000408582894 570207180 /nfs/dbraw/zinc/20/71/80/570207180.db2.gz FSNDZDPFRQSXEN-NRFANRHFSA-N -1 3 466.603 4.621 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl)NC1CCCCCCC1 ZINC000408584943 570207753 /nfs/dbraw/zinc/20/77/53/570207753.db2.gz WXXXUGIIAWIGNV-UHFFFAOYSA-N -1 3 468.978 4.888 40 0 JJABHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408587538 570208380 /nfs/dbraw/zinc/20/83/80/570208380.db2.gz DSRXWKHURAUCRA-MRXNPFEDSA-N -1 3 450.988 4.665 40 0 JJABHM O=C(NCCC1=CCCCC1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408593206 570209690 /nfs/dbraw/zinc/20/96/90/570209690.db2.gz LVNOSBPODIFHRP-OAQYLSRUSA-N -1 3 481.445 4.890 40 0 JJABHM O=C1N[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000001153415 194052021 /nfs/dbraw/zinc/05/20/21/194052021.db2.gz PPVREXQSNPWRNV-LVCYWYKZSA-N -1 3 464.827 4.704 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1 ZINC000020766862 195222092 /nfs/dbraw/zinc/22/20/92/195222092.db2.gz FMQVWMJUNKMGDS-UHFFFAOYSA-N -1 3 454.523 4.618 40 0 JJABHM COc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4ccc(C)cc4o3)c2)c(OC)c1 ZINC000021595532 195317819 /nfs/dbraw/zinc/31/78/19/195317819.db2.gz BVYFAKCTFITLJT-UHFFFAOYSA-N -1 3 463.515 4.653 40 0 JJABHM COc1ccc(-c2csc(NC(=S)[N-]C(=O)COc3ccc(C)cc3)n2)cc1Br ZINC000016293578 523171082 /nfs/dbraw/zinc/17/10/82/523171082.db2.gz ROZJLXQMXKNNQF-UHFFFAOYSA-N -1 3 492.420 4.782 40 0 JJABHM COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000020495070 523909522 /nfs/dbraw/zinc/90/95/22/523909522.db2.gz UFXSGBFJEGYIGI-UHFFFAOYSA-N -1 3 465.358 4.984 40 0 JJABHM COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1 ZINC000044901810 525103721 /nfs/dbraw/zinc/10/37/21/525103721.db2.gz FEVFEWSHOUPNBG-UHFFFAOYSA-N -1 3 456.589 4.844 40 0 JJABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1 ZINC000022536881 525271368 /nfs/dbraw/zinc/27/13/68/525271368.db2.gz CTDGIUCYGUIPAA-NRFANRHFSA-N -1 3 466.603 4.977 40 0 JJABHM COc1cccc(CCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)c1 ZINC000038756907 525890297 /nfs/dbraw/zinc/89/02/97/525890297.db2.gz LFBLLTPJWVDLOK-UHFFFAOYSA-N -1 3 472.994 4.820 40 0 JJABHM COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc([O-])c(-c2nc3cc(C)cc(C)c3o2)c1 ZINC000022713698 526216456 /nfs/dbraw/zinc/21/64/56/526216456.db2.gz BNKCIKAHQYZMDU-UHFFFAOYSA-N -1 3 477.542 4.961 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000016490408 526967470 /nfs/dbraw/zinc/96/74/70/526967470.db2.gz KPUNJDIQVQVFMV-UHFFFAOYSA-N -1 3 451.331 4.812 40 0 JJABHM Cc1nccn1-c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1 ZINC000020457776 527371779 /nfs/dbraw/zinc/37/17/79/527371779.db2.gz KIGZQCVBXDECLB-UHFFFAOYSA-N -1 3 474.586 4.528 40 0 JJABHM Cc1nccn1-c1ccc(CNC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000044900375 527372043 /nfs/dbraw/zinc/37/20/43/527372043.db2.gz MOWFOOYKMHZAIM-UHFFFAOYSA-N -1 3 474.586 4.528 40 0 JJABHM Cc1nccn1-c1ccccc1CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1C ZINC000044846504 527385451 /nfs/dbraw/zinc/38/54/51/527385451.db2.gz ABLSXBVXWZZGTR-UHFFFAOYSA-N -1 3 474.586 4.528 40 0 JJABHM Cc1nccn1-c1ccccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000022519425 527386464 /nfs/dbraw/zinc/38/64/64/527386464.db2.gz NEDAAYCIRKXYCC-UHFFFAOYSA-N -1 3 480.977 4.565 40 0 JJABHM Cn1c(SCC(=O)N2CCC(Cc3ccccc3)CC2)nnc1-c1cc2ccccc2cc1[O-] ZINC000000896715 553832679 /nfs/dbraw/zinc/83/26/79/553832679.db2.gz IBRBJQXJWJGTII-UHFFFAOYSA-N -1 3 472.614 4.914 40 0 JJABHM Cc1ccc(-n2c(CNc3ccc(F)cc3)nnc2SCC(=O)Nc2ccccc2[O-])cc1 ZINC000000925274 553861195 /nfs/dbraw/zinc/86/11/95/553861195.db2.gz ASQLGLQLJYLFHD-UHFFFAOYSA-N -1 3 463.538 4.763 40 0 JJABHM COCCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1cc2ccccc2cc1[O-] ZINC000006905343 554561266 /nfs/dbraw/zinc/56/12/66/554561266.db2.gz PVWYCSVDKPKSPR-UHFFFAOYSA-N -1 3 474.586 4.522 40 0 JJABHM COC(=O)c1c2c(sc1N1C(=O)[C@@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1cccs1)CCCC2 ZINC000008741610 554643999 /nfs/dbraw/zinc/64/39/99/554643999.db2.gz ZLKSTWHCZXRWLO-HBMCJLEFSA-N -1 3 494.594 4.526 40 0 JJABHM CC(=O)[C@H]1C(=C([O-])c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 ZINC000009013766 554865205 /nfs/dbraw/zinc/86/52/05/554865205.db2.gz GTXSJEFBMPBIQJ-MEWSVHOLSA-N -1 3 468.940 4.902 40 0 JJABHM CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4C(=O)[O-])[C@@H]3C2=O)cc1 ZINC000009347684 555113624 /nfs/dbraw/zinc/11/36/24/555113624.db2.gz OPXAHFXFFJHGIH-SDHOMARFSA-N -1 3 486.524 4.615 40 0 JJABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2OC)cc1 ZINC000009458664 555226704 /nfs/dbraw/zinc/22/67/04/555226704.db2.gz QJBDARGNEBVBEL-SDHSZQHLSA-N -1 3 458.514 4.535 40 0 JJABHM O=S(=O)(Cc1ccc(Cl)cc1)[N-]c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000009694983 555425051 /nfs/dbraw/zinc/42/50/51/555425051.db2.gz KMFVIIVNITXKLP-UHFFFAOYSA-N -1 3 471.387 4.736 40 0 JJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1C ZINC000020009634 555585182 /nfs/dbraw/zinc/58/51/82/555585182.db2.gz UXTBRZLJDUUJEL-HXUWFJFHSA-N -1 3 493.412 4.839 40 0 JJABHM CSc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000020019865 555595868 /nfs/dbraw/zinc/59/58/68/555595868.db2.gz UOQVWIPXUJLJKB-SFHVURJKSA-N -1 3 470.616 4.774 40 0 JJABHM C[C@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cccc(Br)c1 ZINC000020019931 555596232 /nfs/dbraw/zinc/59/62/32/555596232.db2.gz BAYCHHFVDLIWRV-INIZCTEOSA-N -1 3 489.391 4.506 40 0 JJABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(Cl)cc3)cc2)c1 ZINC000020020187 555596639 /nfs/dbraw/zinc/59/66/39/555596639.db2.gz AWARUKFNGGITFD-QGZVFWFLSA-N -1 3 458.967 4.705 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(Cl)cc3)cc2)cc1 ZINC000020020465 555597262 /nfs/dbraw/zinc/59/72/62/555597262.db2.gz KVIGRIYRWRCJKY-KRWDZBQOSA-N -1 3 488.993 4.796 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N[C@@H]1CCCc2ccccc21 ZINC000020020432 555597270 /nfs/dbraw/zinc/59/72/70/555597270.db2.gz MXURRHVLQNQOEP-HSZRJFAPSA-N -1 3 470.978 4.713 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3ccc(OC)cc3)cc2)cc1 ZINC000020107698 555641935 /nfs/dbraw/zinc/64/19/35/555641935.db2.gz ZVDGKXRHZPXMQP-UHFFFAOYSA-N -1 3 472.588 4.626 40 0 JJABHM Cc1nccn1-c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1 ZINC000020111878 555649001 /nfs/dbraw/zinc/64/90/01/555649001.db2.gz OWTOSWGUQFETLF-UHFFFAOYSA-N -1 3 474.586 4.528 40 0 JJABHM CC(=O)Nc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000020112513 555649985 /nfs/dbraw/zinc/64/99/85/555649985.db2.gz OKDKZUJHRAFVBE-UHFFFAOYSA-N -1 3 457.939 4.660 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)cc1 ZINC000014006999 555668540 /nfs/dbraw/zinc/66/85/40/555668540.db2.gz DLJVASSDYGWXQL-INIZCTEOSA-N -1 3 474.966 4.946 40 0 JJABHM CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000014013196 555670215 /nfs/dbraw/zinc/67/02/15/555670215.db2.gz FFRBWNPTHHIRCY-QHCPKHFHSA-N -1 3 454.548 4.601 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)cc1 ZINC000014038495 555674326 /nfs/dbraw/zinc/67/43/26/555674326.db2.gz AQRVUIKYBWIAOT-UHFFFAOYSA-N -1 3 454.548 4.926 40 0 JJABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(OC)c(OC)c4)ccc3[O-])nc2c1 ZINC000014275172 555779820 /nfs/dbraw/zinc/77/98/20/555779820.db2.gz ZTXVOCUMVNBJSU-UHFFFAOYSA-N -1 3 477.542 4.907 40 0 JJABHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(SC)cc2)cc1 ZINC000011582453 555788580 /nfs/dbraw/zinc/78/85/80/555788580.db2.gz NCVJUURNGMHNGL-HJOGWXRNSA-N -1 3 460.555 4.858 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCSc3ccc(C)cc3)cc2)cc1 ZINC000015439253 555909215 /nfs/dbraw/zinc/90/92/15/555909215.db2.gz YZPZZAOOTYZJOZ-UHFFFAOYSA-N -1 3 456.589 4.925 40 0 JJABHM CSc1ccc(S(=O)(=O)[N-]c2ccccc2Br)cc1C(=O)N1CCCCCC1 ZINC000026119752 556248481 /nfs/dbraw/zinc/24/84/81/556248481.db2.gz LEBIFYBYDIBDFE-UHFFFAOYSA-N -1 3 483.453 4.988 40 0 JJABHM CC(C)(C)c1ccc(Cn2nnc3c2nc([C@@H]2CCCN(C(=O)C4CCCCC4)C2)[n-]c3=O)cc1 ZINC000013083446 556279973 /nfs/dbraw/zinc/27/99/73/556279973.db2.gz AGWCOHDXHWZCHY-HXUWFJFHSA-N -1 3 476.625 4.559 40 0 JJABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000018141846 556293305 /nfs/dbraw/zinc/29/33/05/556293305.db2.gz UCAUEEWOGIPRCQ-GSDHBNRESA-N -1 3 488.540 4.544 40 0 JJABHM Cc1ccc2[nH]c(C[C@H]3CN(Cc4ccccc4OC(F)(F)F)CC[C@H]3CC(=O)[O-])nc2c1 ZINC000514289090 560033311 /nfs/dbraw/zinc/03/33/11/560033311.db2.gz NTWVQBREUNLXRF-WMZOPIPTSA-N -1 3 461.484 4.925 40 0 biogenic,in-vitro JJABHM Cc1ccc2nc(C[C@H]3CN(Cc4ccccc4OC(F)(F)F)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514289090 560033313 /nfs/dbraw/zinc/03/33/13/560033313.db2.gz NTWVQBREUNLXRF-WMZOPIPTSA-N -1 3 461.484 4.925 40 0 biogenic,in-vitro JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1 ZINC000033619133 569628996 /nfs/dbraw/zinc/62/89/96/569628996.db2.gz GTVZUWOGIHNSHA-UHFFFAOYSA-N -1 3 481.357 4.820 40 0 JJABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3Br)cc2)c1 ZINC000034688160 569645637 /nfs/dbraw/zinc/64/56/37/569645637.db2.gz NHGLRTOUCNBIRB-UHFFFAOYSA-N -1 3 489.391 4.884 40 0 JJABHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc(Br)c2)c1 ZINC000095481300 569724714 /nfs/dbraw/zinc/72/47/14/569724714.db2.gz QKZMJQOZAPPNGO-BDTNDASRSA-N -1 3 479.330 4.509 40 0 JJABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2OC)cc1 ZINC000095483647 569725182 /nfs/dbraw/zinc/72/51/82/569725182.db2.gz QJBDARGNEBVBEL-DSITVLBTSA-N -1 3 458.514 4.535 40 0 JJABHM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccc(Cl)cc1)[C@@H]2c1ccccc1 ZINC000100766563 569769340 /nfs/dbraw/zinc/76/93/40/569769340.db2.gz QRLPNUQHXAAXTP-NJYVYQBISA-N -1 3 496.972 4.856 40 0 JJABHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(Br)cc2)cc1 ZINC000100859215 569772624 /nfs/dbraw/zinc/77/26/24/569772624.db2.gz KVVBYYXTADNERO-VSKRKVRLSA-N -1 3 479.330 4.509 40 0 JJABHM COc1cccc([C@H]2[C@@H]3C(=O)N(c4cccc(Br)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000100933778 569776446 /nfs/dbraw/zinc/77/64/46/569776446.db2.gz DTCMDRMUZCKVQO-FKBYEOEOSA-N -1 3 479.330 4.509 40 0 JJABHM COc1cccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)c1 ZINC000101024518 569779779 /nfs/dbraw/zinc/77/97/79/569779779.db2.gz ODNYNGYVSPLJMG-ZNZIZOMTSA-N -1 3 450.494 4.900 40 0 JJABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000101241074 569787901 /nfs/dbraw/zinc/78/79/01/569787901.db2.gz KCPNSCLXHOLDPK-FKBYEOEOSA-N -1 3 479.330 4.509 40 0 JJABHM CCn1c(SCC(=O)N2c3ccccc3S[C@@H]3C=CC=C[C@@H]32)nnc1-c1ccccc1[O-] ZINC000038181789 569800244 /nfs/dbraw/zinc/80/02/44/569800244.db2.gz BMCBBQRLSSVXQW-FXAWDEMLSA-N -1 3 462.600 4.765 40 0 JJABHM Cn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1cc(Br)ccc1[O-] ZINC000038186623 569800427 /nfs/dbraw/zinc/80/04/27/569800427.db2.gz CTEVMPDYNCDOOD-UHFFFAOYSA-N -1 3 487.301 4.700 40 0 JJABHM COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc5ccccc5c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102729548 569818002 /nfs/dbraw/zinc/81/80/02/569818002.db2.gz ICACOPHHXSRWJD-KKUQBAQOSA-N -1 3 450.494 4.900 40 0 JJABHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1F)ON(c1ccccc1)[C@@H]2c1ccc(F)c(Br)c1 ZINC000102760210 569821746 /nfs/dbraw/zinc/82/17/46/569821746.db2.gz IQVSGJGTBVUQAH-HBMCJLEFSA-N -1 3 485.284 4.778 40 0 JJABHM O=C([N-]n1ccc2c(cnc3c(-c4ccc(F)cc4)cnn32)c1=O)c1ccc(Cl)cc1Cl ZINC000040396672 569825636 /nfs/dbraw/zinc/82/56/36/569825636.db2.gz UPUJFXRUHRUKIV-UHFFFAOYSA-N -1 3 468.275 4.541 40 0 JJABHM Cc1nn2c(ncc3c2ccn([N-]C(=O)c2ccccc2Cl)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397685 569825753 /nfs/dbraw/zinc/82/57/53/569825753.db2.gz GGXUCHUGCRNSPQ-UHFFFAOYSA-N -1 3 464.312 4.710 40 0 JJABHM O=C(Nc1ccc(Cl)c(Cl)c1)C1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000040399209 569826160 /nfs/dbraw/zinc/82/61/60/569826160.db2.gz CJXPYWWLYSABRS-LBPRGKRZSA-N -1 3 478.723 4.538 40 0 JJABHM O=C(Nc1cc(Cl)ccc1Cl)C1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000040399321 569826288 /nfs/dbraw/zinc/82/62/88/569826288.db2.gz RBDGGBULFHCQBG-LBPRGKRZSA-N -1 3 478.723 4.538 40 0 JJABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4cccc(C(F)(F)F)c4)[n-]c(=O)c32)cc1Cl ZINC000040400310 569827646 /nfs/dbraw/zinc/82/76/46/569827646.db2.gz DZUSNYLHRGYTHR-CQSZACIVSA-N -1 3 491.857 4.559 40 0 JJABHM Cc1ccc(Cl)cc1NC(=O)C1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400306 569827692 /nfs/dbraw/zinc/82/76/92/569827692.db2.gz NEBADCDQRHFMJC-CQSZACIVSA-N -1 3 491.857 4.559 40 0 JJABHM O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)Nc1ccc(Cl)cc1Cl ZINC000105932985 569853593 /nfs/dbraw/zinc/85/35/93/569853593.db2.gz NRVHRUGFMMCWTR-UHFFFAOYSA-N -1 3 474.167 4.977 40 0 JJABHM O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)Nc1ccc(Cl)cc1Cl ZINC000105932985 569853594 /nfs/dbraw/zinc/85/35/94/569853594.db2.gz NRVHRUGFMMCWTR-UHFFFAOYSA-N -1 3 474.167 4.977 40 0 JJABHM CCOc1cc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc(Br)c1[O-] ZINC000106783622 569855757 /nfs/dbraw/zinc/85/57/57/569855757.db2.gz FJGDMIDVYJNSBI-PDGQHHTCSA-N -1 3 478.364 4.977 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)NCc1ccc(Cl)cc1 ZINC000107597571 569856692 /nfs/dbraw/zinc/85/66/92/569856692.db2.gz PPHSEUVTAFEINJ-UHFFFAOYSA-N -1 3 498.910 4.855 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)Nc1cccc(Cl)c1 ZINC000107652199 569856903 /nfs/dbraw/zinc/85/69/03/569856903.db2.gz VZBJCTDVMCCICD-UHFFFAOYSA-N -1 3 451.331 4.812 40 0 JJABHM Cc1ccc(N(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1C ZINC000222702834 569888972 /nfs/dbraw/zinc/88/89/72/569888972.db2.gz BCHHNTRGYATWST-UHFFFAOYSA-N -1 3 458.967 4.799 40 0 JJABHM CCCSc1nnc([N-]C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)s1 ZINC000222765342 569890566 /nfs/dbraw/zinc/89/05/66/569890566.db2.gz MQFAULHHPFWESR-UHFFFAOYSA-N -1 3 475.061 4.511 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)N1c2ccccc2C[C@H]1C ZINC000222799768 569891389 /nfs/dbraw/zinc/89/13/89/569891389.db2.gz UNRHLVOGIZTTNB-QGZVFWFLSA-N -1 3 470.978 4.806 40 0 JJABHM Cc1ccc([C@H]([N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)c2ccccc2)cc1 ZINC000224272721 569938798 /nfs/dbraw/zinc/93/87/98/569938798.db2.gz FDHRIUFZZVZHND-HXUWFJFHSA-N -1 3 499.017 4.820 40 0 JJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCOc3ccccc3Cl)cc2Cl)cc1 ZINC000224409870 569943751 /nfs/dbraw/zinc/94/37/51/569943751.db2.gz UECYXQBKDKHCQX-UHFFFAOYSA-N -1 3 479.385 4.911 40 0 JJABHM CN(C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])cc1 ZINC000224611589 569950697 /nfs/dbraw/zinc/95/06/97/569950697.db2.gz ZBYJQPCSAKANOX-DQEYMECFSA-N -1 3 455.587 4.821 40 0 JJABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1cccnc1 ZINC000224864557 569960718 /nfs/dbraw/zinc/96/07/18/569960718.db2.gz DVXBIVVBQVKCNL-PKTZIBPZSA-N -1 3 461.978 4.863 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl)Nc1ccc(F)cc1F ZINC000408596608 569966975 /nfs/dbraw/zinc/96/69/75/569966975.db2.gz XAVNCERPOYVDCH-UHFFFAOYSA-N -1 3 470.856 4.576 40 0 JJABHM O=C(NCc1ccccc1Cl)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408597592 569967469 /nfs/dbraw/zinc/96/74/69/569967469.db2.gz VISZPWDMMDQHON-HXUWFJFHSA-N -1 3 497.831 4.853 40 0 JJABHM O=C(NCc1ccccc1Cl)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408597590 569967476 /nfs/dbraw/zinc/96/74/76/569967476.db2.gz VISZPWDMMDQHON-FQEVSTJZSA-N -1 3 497.831 4.853 40 0 JJABHM Cc1cccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000408598388 569968057 /nfs/dbraw/zinc/96/80/57/569968057.db2.gz ZRSXGOXOQQDBPY-FQEVSTJZSA-N -1 3 463.386 4.830 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3c(F)cccc3F)cc2)cc1Cl ZINC000408601303 569969020 /nfs/dbraw/zinc/96/90/20/569969020.db2.gz FHSAPFHMMBLRBI-UHFFFAOYSA-N -1 3 466.893 4.745 40 0 JJABHM O=C(Nc1c(F)cccc1F)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408605586 569970881 /nfs/dbraw/zinc/97/08/81/569970881.db2.gz NBCKREPAEAZKMO-SFHVURJKSA-N -1 3 485.339 4.800 40 0 JJABHM CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000408607113 569971363 /nfs/dbraw/zinc/97/13/63/569971363.db2.gz QBZQVHWQBMQBJV-UHFFFAOYSA-N -1 3 474.966 4.865 40 0 JJABHM CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1 ZINC000408612914 569973231 /nfs/dbraw/zinc/97/32/31/569973231.db2.gz ZNTKNEUDYYYQLC-IBGZPJMESA-N -1 3 468.575 4.819 40 0 JJABHM COc1ccc([C@H](CC(C)C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 ZINC000225147853 569977907 /nfs/dbraw/zinc/97/79/07/569977907.db2.gz JBMKUFVJHZUADH-SFHVURJKSA-N -1 3 495.026 4.518 40 0 JJABHM COc1ccc([C@@H](CC(C)C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 ZINC000225147811 569977912 /nfs/dbraw/zinc/97/79/12/569977912.db2.gz JBMKUFVJHZUADH-GOSISDBHSA-N -1 3 495.026 4.518 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000408635719 569986094 /nfs/dbraw/zinc/98/60/94/569986094.db2.gz HSNCUAYJCHWROD-UHFFFAOYSA-N -1 3 481.357 4.820 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1 ZINC000408635958 569986179 /nfs/dbraw/zinc/98/61/79/569986179.db2.gz KKLGSERDDKIQNF-UHFFFAOYSA-N -1 3 474.966 4.784 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(SC)c3)c(Cl)c2)cc1 ZINC000408636327 569986559 /nfs/dbraw/zinc/98/65/59/569986559.db2.gz OJGHMDYLEURIJQ-UHFFFAOYSA-N -1 3 493.006 4.889 40 0 JJABHM Cc1ccc([O-])c(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 ZINC000408648033 569992573 /nfs/dbraw/zinc/99/25/73/569992573.db2.gz CBUFGIWKDAKPJY-SKGAXEKPSA-N -1 3 450.321 4.798 40 0 JJABHM Cc1ccc(-c2nnc([N-]C(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)s2)cc1 ZINC000225550961 570004970 /nfs/dbraw/zinc/00/49/70/570004970.db2.gz WXZZEUCWWCOTSW-UHFFFAOYSA-N -1 3 477.011 4.594 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(C)c2)cc1 ZINC000408674584 570009210 /nfs/dbraw/zinc/00/92/10/570009210.db2.gz BJASSOLHPIFCLP-UHFFFAOYSA-N -1 3 468.575 4.829 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)N[C@@H](C)c1ccccc1 ZINC000408674599 570009237 /nfs/dbraw/zinc/00/92/37/570009237.db2.gz ALVRBASKXVYYJZ-KRWDZBQOSA-N -1 3 458.967 4.705 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)c(C)c2)cc1 ZINC000408674659 570009350 /nfs/dbraw/zinc/00/93/50/570009350.db2.gz DTJZIZVFJBUYCZ-UHFFFAOYSA-N -1 3 474.966 4.784 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(CC)cc3)c(C)c2)cc1 ZINC000408674834 570009546 /nfs/dbraw/zinc/00/95/46/570009546.db2.gz JHZOBAPZLDFEQN-UHFFFAOYSA-N -1 3 468.575 4.774 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(C)c2)cc1 ZINC000408674815 570009561 /nfs/dbraw/zinc/00/95/61/570009561.db2.gz IRUHSHHZUQKSOL-UHFFFAOYSA-N -1 3 494.491 4.841 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)c(C)c2)cc1 ZINC000408675346 570010160 /nfs/dbraw/zinc/01/01/60/570010160.db2.gz WGPQZJCYAPUBKS-UHFFFAOYSA-N -1 3 468.575 4.829 40 0 JJABHM Cc1cc(Cl)ccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C ZINC000408676971 570010759 /nfs/dbraw/zinc/01/07/59/570010759.db2.gz PDXHNHQRXDYDKY-UHFFFAOYSA-N -1 3 462.930 4.914 40 0 JJABHM Cc1ccc(Cl)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C ZINC000408679355 570011730 /nfs/dbraw/zinc/01/17/30/570011730.db2.gz WDFULXAGFWGDBK-UHFFFAOYSA-N -1 3 462.930 4.914 40 0 JJABHM Cc1ccccc1[C@@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1)c1ccccc1 ZINC000225646072 570012138 /nfs/dbraw/zinc/01/21/38/570012138.db2.gz CZUOVSLBBRXYAW-FQEVSTJZSA-N -1 3 499.017 4.820 40 0 JJABHM CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000408694536 570017038 /nfs/dbraw/zinc/01/70/38/570017038.db2.gz JIMCMXNZHJCWTJ-NRFANRHFSA-N -1 3 468.575 4.909 40 0 JJABHM CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000408695797 570018045 /nfs/dbraw/zinc/01/80/45/570018045.db2.gz ZNNONADIQPVBSJ-QFIPXVFZSA-N -1 3 468.575 4.909 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N4CCCCC4)cc3)cc2)cc1 ZINC000408706399 570025235 /nfs/dbraw/zinc/02/52/35/570025235.db2.gz MGTJGFTZTKZXOW-UHFFFAOYSA-N -1 3 465.575 4.739 40 0 JJABHM CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)c([O-])c(OCC)c3)N(C)C2=S)cc1 ZINC000409032839 570106016 /nfs/dbraw/zinc/10/60/16/570106016.db2.gz JOADBMVIVKSOKP-BOPFTXTBSA-N -1 3 477.380 4.557 40 0 JJABHM CC1(C)Oc2ccc(Cl)cc2[C@H]2O[C@H]3CCN(Cc4ccc(OCC(=O)[O-])cc4)C[C@H]3C[C@@H]21 ZINC000257239625 570120068 /nfs/dbraw/zinc/12/00/68/570120068.db2.gz HQDQUPKNDRXVQD-AYALFZQESA-N -1 3 471.981 4.943 40 0 JJABHM CC1(C)Oc2ccc(Cl)cc2[C@H]2O[C@H]3CCN(Cc4ccccc4OCC(=O)[O-])C[C@H]3C[C@@H]21 ZINC000257272332 570130357 /nfs/dbraw/zinc/13/03/57/570130357.db2.gz NCAQVEVBQGDPJY-ODMMOJHCSA-N -1 3 471.981 4.943 40 0 JJABHM CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CCN(Cc4ccccc4OCC(=O)[O-])C[C@@H]3C[C@H]21 ZINC000257272330 570130369 /nfs/dbraw/zinc/13/03/69/570130369.db2.gz NCAQVEVBQGDPJY-DJCNNZBWSA-N -1 3 471.981 4.943 40 0 JJABHM CCOc1cc(/C=C2/c3ccccc3N(CC(C)C)C2=O)cc(I)c1[O-] ZINC000409114540 570133507 /nfs/dbraw/zinc/13/35/07/570133507.db2.gz HEVXEQRNSNVVDC-SXGWCWSVSA-N -1 3 463.315 4.939 40 0 JJABHM COc1cccc2c1OC(C)(C)[C@H]1C[C@@H]3CN(Cc4cc(C)c(O)c(C(=O)[O-])c4)CC[C@@H]3O[C@H]21 ZINC000257296643 570137448 /nfs/dbraw/zinc/13/74/48/570137448.db2.gz RDSLNJRKWCWSGN-OTXOCUIESA-N -1 3 467.562 4.547 40 0 JJABHM CCOc1cccc2c1OC(C)(C)[C@@H]1C[C@@H]3[C@@H](CCCN3Cc3ccccc3OCC(=O)[O-])O[C@@H]21 ZINC000257310606 570141617 /nfs/dbraw/zinc/14/16/17/570141617.db2.gz UFWIRSQZNREHIN-YNMPZUNCSA-N -1 3 481.589 4.831 40 0 JJABHM COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3cc(=O)[n-]c(-c4ccccc4)n3)o2)c1 ZINC000257339263 570150237 /nfs/dbraw/zinc/15/02/37/570150237.db2.gz ZAZDJNQAJPGVFQ-HSZRJFAPSA-N -1 3 470.529 4.804 40 0 JJABHM CCCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1cc([O-])ccc1Br ZINC000261362529 570167690 /nfs/dbraw/zinc/16/76/90/570167690.db2.gz KENVCMIBIAZRBK-LJQANCHMSA-O -1 3 474.404 4.860 40 0 JJABHM CCCCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1cc(Cl)c([O-])c(OCC)c1 ZINC000261363870 570168196 /nfs/dbraw/zinc/16/81/96/570168196.db2.gz XXFQXRSCNZIAEI-HXUWFJFHSA-O -1 3 459.979 4.759 40 0 JJABHM O=C(Oc1cccc(-c2nc3ccccc3c(=O)[n-]2)c1)c1ccccc1I ZINC000409254173 570186599 /nfs/dbraw/zinc/18/65/99/570186599.db2.gz DBFVOEIOJUKZDC-UHFFFAOYSA-N -1 3 468.250 4.826 40 0 JJABHM Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1 ZINC000408544295 570192436 /nfs/dbraw/zinc/19/24/36/570192436.db2.gz FMIVYQIXNKYVKU-UHFFFAOYSA-N -1 3 453.749 4.632 40 0 JJABHM Cc1c(Cl)cccc1NC(=O)CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1 ZINC000408544295 570192437 /nfs/dbraw/zinc/19/24/37/570192437.db2.gz FMIVYQIXNKYVKU-UHFFFAOYSA-N -1 3 453.749 4.632 40 0 JJABHM O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)Nc1ccc2ccccc2c1 ZINC000408543058 570192035 /nfs/dbraw/zinc/19/20/35/570192035.db2.gz NGLYZGMRHKQNIB-UHFFFAOYSA-N -1 3 455.337 4.824 40 0 JJABHM O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)Nc1ccc2ccccc2c1 ZINC000408543058 570192037 /nfs/dbraw/zinc/19/20/37/570192037.db2.gz NGLYZGMRHKQNIB-UHFFFAOYSA-N -1 3 455.337 4.824 40 0 JJABHM Cn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1cc(Br)ccc1[O-] ZINC000408544481 570192491 /nfs/dbraw/zinc/19/24/91/570192491.db2.gz UDHSKGMZLHUKGY-UHFFFAOYSA-N -1 3 469.364 4.834 40 0 JJABHM Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1 ZINC000408544687 570192526 /nfs/dbraw/zinc/19/25/26/570192526.db2.gz WQXORNDGEFZXGA-UHFFFAOYSA-N -1 3 453.749 4.632 40 0 JJABHM Cc1ccc(Cl)cc1NC(=O)CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1 ZINC000408544687 570192528 /nfs/dbraw/zinc/19/25/28/570192528.db2.gz WQXORNDGEFZXGA-UHFFFAOYSA-N -1 3 453.749 4.632 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1Cl ZINC000408551935 570195383 /nfs/dbraw/zinc/19/53/83/570195383.db2.gz KBZGPIAXXAXQJY-UHFFFAOYSA-N -1 3 481.357 4.820 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)NC1CCCCCC1 ZINC000408552785 570195672 /nfs/dbraw/zinc/19/56/72/570195672.db2.gz NUKZYCPLUGIITL-UHFFFAOYSA-N -1 3 470.513 4.724 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)Nc1ccccc1 ZINC000408553241 570195785 /nfs/dbraw/zinc/19/57/85/570195785.db2.gz PJCSNDVRXZKMTN-UHFFFAOYSA-N -1 3 450.438 4.524 40 0 JJABHM CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cc1 ZINC000408553677 570195865 /nfs/dbraw/zinc/19/58/65/570195865.db2.gz QDMWQUGIAPKOKG-UHFFFAOYSA-N -1 3 474.966 4.729 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3cccc(Cl)c3)c2)cc1 ZINC000408555215 570196770 /nfs/dbraw/zinc/19/67/70/570196770.db2.gz FJEHMMDMQOLDIO-UHFFFAOYSA-N -1 3 460.939 4.800 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(SC)c3)cc2)cc1Cl ZINC000408559130 570199574 /nfs/dbraw/zinc/19/95/74/570199574.db2.gz LKNQEMZTCIGHFC-UHFFFAOYSA-N -1 3 493.006 4.889 40 0 JJABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cc1NC(=O)c1ccccc1 ZINC000408561117 570200835 /nfs/dbraw/zinc/20/08/35/570200835.db2.gz QTDJVDDZOFUHGR-UHFFFAOYSA-N -1 3 460.939 4.800 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl)Nc1ccc(Cl)cc1 ZINC000408562114 570201511 /nfs/dbraw/zinc/20/15/11/570201511.db2.gz MUDXCGFJZDAMIW-UHFFFAOYSA-N -1 3 469.321 4.951 40 0 JJABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408562345 570201768 /nfs/dbraw/zinc/20/17/68/570201768.db2.gz ZEDBZPKZUIMGHL-UHFFFAOYSA-N -1 3 488.949 4.563 40 0 JJABHM C[C@@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl)c1ccccc1 ZINC000408564586 570202807 /nfs/dbraw/zinc/20/28/07/570202807.db2.gz ZTADIVKSXJIPFB-OAHLLOKOSA-N -1 3 462.930 4.536 40 0 JJABHM CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000408586272 570208143 /nfs/dbraw/zinc/20/81/43/570208143.db2.gz AWXLOEKPWORHQH-NSHDSACASA-N -1 3 465.786 4.740 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)CCc3ccccc3)c(Cl)c2)cc1 ZINC000408584622 570207670 /nfs/dbraw/zinc/20/76/70/570207670.db2.gz SCMKYCCLBAVOBK-LJQANCHMSA-N -1 3 487.021 4.966 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)CCc3ccccc3)c(Cl)c2)cc1 ZINC000408584621 570207673 /nfs/dbraw/zinc/20/76/73/570207673.db2.gz SCMKYCCLBAVOBK-IBGZPJMESA-N -1 3 487.021 4.966 40 0 JJABHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408589467 570208843 /nfs/dbraw/zinc/20/88/43/570208843.db2.gz HVOKMFVQZJMFOQ-INIZCTEOSA-N -1 3 450.988 4.665 40 0 JJABHM CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3[O-])n2Cc2ccccc2)cc1 ZINC000001223744 194075353 /nfs/dbraw/zinc/07/53/53/194075353.db2.gz UDFSPWVQRAXVFW-UHFFFAOYSA-N -1 3 460.559 4.829 40 0 JJABHM CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1OCC ZINC000009886192 195014944 /nfs/dbraw/zinc/01/49/44/195014944.db2.gz FOMXNKSLNWDKOM-UHFFFAOYSA-N -1 3 454.548 4.846 40 0 JJABHM COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc(I)c1[O-] ZINC000106701184 195458746 /nfs/dbraw/zinc/45/87/46/195458746.db2.gz MDAXKEWLIPNIAB-SXGWCWSVSA-N -1 3 481.311 4.550 40 0 JJABHM CC(C)NC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020461049 519718431 /nfs/dbraw/zinc/71/84/31/519718431.db2.gz DVTIYKHXSKNQBS-UHFFFAOYSA-N -1 3 471.966 4.531 40 0 JJABHM COC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)c1C ZINC000044884506 522238009 /nfs/dbraw/zinc/23/80/09/522238009.db2.gz XCARKVFYOKHHCH-UHFFFAOYSA-N -1 3 472.950 4.797 40 0 JJABHM COc1ccc(-c2csc(NC(=S)[N-]C(=O)COc3cccc(C)c3)n2)cc1Br ZINC000016349810 523170942 /nfs/dbraw/zinc/17/09/42/523170942.db2.gz OHAGYQLPJYPIEO-UHFFFAOYSA-N -1 3 492.420 4.782 40 0 JJABHM COc1ccccc1CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000020493960 524402627 /nfs/dbraw/zinc/40/26/27/524402627.db2.gz NTRXTZOLAZVZBW-UHFFFAOYSA-N -1 3 472.994 4.820 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(C)c3C)cc2)cc1 ZINC000022521847 524692182 /nfs/dbraw/zinc/69/21/82/524692182.db2.gz JHLQTCCEVCDKFV-SFHVURJKSA-N -1 3 454.548 4.519 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccccc3-n3ccnc3)ccc2C)c(C)c1 ZINC000020494948 525297180 /nfs/dbraw/zinc/29/71/80/525297180.db2.gz SAAYSNCYBMWSPL-UHFFFAOYSA-N -1 3 474.586 4.528 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H]3CCCc4ccccc43)cc2)cc1C ZINC000020019992 525301745 /nfs/dbraw/zinc/30/17/45/525301745.db2.gz UCTVZVZVOIINAA-RUZDIDTESA-N -1 3 464.587 4.677 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H]3CCCc4ccccc43)c(C)c2)cc1C ZINC000020022578 525302277 /nfs/dbraw/zinc/30/22/77/525302277.db2.gz SSIZMNHXAYXXLX-RUZDIDTESA-N -1 3 478.614 4.985 40 0 JJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccccc3-n3ccnc3)cc2Cl)cc1 ZINC000044904600 525601406 /nfs/dbraw/zinc/60/14/06/525601406.db2.gz CKBWDTRRRUDSJA-UHFFFAOYSA-N -1 3 480.977 4.565 40 0 JJABHM CC(=O)c1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(Br)c2)c1 ZINC000096297338 534889656 /nfs/dbraw/zinc/88/96/56/534889656.db2.gz HNZPIYWRPAOGKF-VABKMULXSA-N -1 3 491.341 4.703 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)Nc1ccccc1C(F)(F)F ZINC000016490486 526967650 /nfs/dbraw/zinc/96/76/50/526967650.db2.gz HZEARYWSLAXEPH-UHFFFAOYSA-N -1 3 450.438 4.524 40 0 JJABHM Cc1nccn1-c1ccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)cc1 ZINC000020451033 527374858 /nfs/dbraw/zinc/37/48/58/527374858.db2.gz XEHBCAMHKCVRMZ-UHFFFAOYSA-N -1 3 474.586 4.528 40 0 JJABHM CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3[O-])n2-c2ccccc2OC)cc1 ZINC000006089890 554504065 /nfs/dbraw/zinc/50/40/65/554504065.db2.gz BTBGMNMGBXRSNR-UHFFFAOYSA-N -1 3 476.558 4.778 40 0 JJABHM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccc(Cl)cc1)[C@@H]2c1ccccc1 ZINC000008741620 554644028 /nfs/dbraw/zinc/64/40/28/554644028.db2.gz QRLPNUQHXAAXTP-HBMCJLEFSA-N -1 3 496.972 4.856 40 0 JJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1F)c1ccccc1F ZINC000008810686 554691284 /nfs/dbraw/zinc/69/12/84/554691284.db2.gz FNLHVMZMZOFSKR-UHFFFAOYSA-N -1 3 485.281 4.920 40 0 JJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1F)c1ccc(F)cc1 ZINC000008810851 554691509 /nfs/dbraw/zinc/69/15/09/554691509.db2.gz SKYCWPKNMHVLGV-UHFFFAOYSA-N -1 3 485.281 4.920 40 0 JJABHM COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1cc(Cl)ccc1[O-] ZINC000008832975 554729105 /nfs/dbraw/zinc/72/91/05/554729105.db2.gz GHLXJNMUEUXWDR-UHFFFAOYSA-N -1 3 494.592 4.706 40 0 JJABHM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(Cc4ccc(F)cc4)CC3)cc2)c1 ZINC000009063609 554881360 /nfs/dbraw/zinc/88/13/60/554881360.db2.gz PQQFDBDGRKNMFG-UHFFFAOYSA-N -1 3 481.593 4.786 40 0 JJABHM COc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4ccc(C)cc4o3)c2)cc1OC ZINC000009064893 554884396 /nfs/dbraw/zinc/88/43/96/554884396.db2.gz NUBNQQCJOJOQNX-UHFFFAOYSA-N -1 3 463.515 4.653 40 0 JJABHM O=C(N1CCC(Nc2nc3c(c(=O)[n-]2)CCCC3)CC1)N1c2ccccc2Sc2ccccc21 ZINC000013564759 555499788 /nfs/dbraw/zinc/49/97/88/555499788.db2.gz SAZRYEKNOZVWMZ-UHFFFAOYSA-N -1 3 473.602 4.948 40 0 JJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1ccccc1Cl ZINC000020009609 555585229 /nfs/dbraw/zinc/58/52/29/555585229.db2.gz IJLYSTWSVIYJTD-LJQANCHMSA-N -1 3 479.385 4.530 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3C)cc2)cc1Cl ZINC000020021106 555598109 /nfs/dbraw/zinc/59/81/09/555598109.db2.gz VVCZDABXFQFHLD-UHFFFAOYSA-N -1 3 462.930 4.914 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3)c(C)c2)cc1C ZINC000020022606 555600277 /nfs/dbraw/zinc/60/02/77/555600277.db2.gz UBQHSHZRYWEJMP-UHFFFAOYSA-N -1 3 460.502 4.708 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3C)c(Cl)c2)cc1 ZINC000020023317 555601200 /nfs/dbraw/zinc/60/12/00/555601200.db2.gz GUBAMWNQROFWJR-UHFFFAOYSA-N -1 3 478.929 4.614 40 0 JJABHM O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000010039340 555604657 /nfs/dbraw/zinc/60/46/57/555604657.db2.gz FFUPDOOAWJGGTB-WUXMJOGZSA-N -1 3 456.907 4.521 40 0 JJABHM COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1OC ZINC000020049336 555618772 /nfs/dbraw/zinc/61/87/72/555618772.db2.gz XCIUQPJKUNKMOM-HNNXBMFYSA-N -1 3 490.578 4.763 40 0 JJABHM COc1ccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000020104759 555637473 /nfs/dbraw/zinc/63/74/73/555637473.db2.gz VVVDTONNWRCGPC-UHFFFAOYSA-N -1 3 458.967 4.730 40 0 JJABHM COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1OC ZINC000020105136 555638396 /nfs/dbraw/zinc/63/83/96/555638396.db2.gz DDXFAPUSAFIHKZ-UHFFFAOYSA-N -1 3 486.615 4.852 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Sc3ccc(OC)cc3)cc2)cc1 ZINC000020107474 555641138 /nfs/dbraw/zinc/64/11/38/555641138.db2.gz OHFCZYPKOTVKSR-MRXNPFEDSA-N -1 3 472.588 4.624 40 0 JJABHM O=S(=O)([N-]c1ccc(I)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000020107870 555642259 /nfs/dbraw/zinc/64/22/59/555642259.db2.gz MSWAGSZBYNPSDT-UHFFFAOYSA-N -1 3 451.285 4.884 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(C)c3C)cc2)cc1 ZINC000020108555 555643491 /nfs/dbraw/zinc/64/34/91/555643491.db2.gz BXHREPRGPBCVME-IBGZPJMESA-N -1 3 468.575 4.909 40 0 JJABHM COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000020110488 555646503 /nfs/dbraw/zinc/64/65/03/555646503.db2.gz RPIGBXXFWGHJHQ-OAHLLOKOSA-N -1 3 460.552 4.754 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(C)c3)cc2)cc1 ZINC000013992610 555668019 /nfs/dbraw/zinc/66/80/19/555668019.db2.gz BTLLNUIUTZNEGJ-GOSISDBHSA-N -1 3 454.548 4.601 40 0 JJABHM COc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1 ZINC000014006262 555668285 /nfs/dbraw/zinc/66/82/85/555668285.db2.gz MDMMLOXWQJRCBL-GOSISDBHSA-N -1 3 454.548 4.519 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)cc1 ZINC000014397953 555803579 /nfs/dbraw/zinc/80/35/79/555803579.db2.gz RFUOMAXQJSYMOG-UHFFFAOYSA-N -1 3 474.966 4.947 40 0 JJABHM COc1ccc(Br)cc1[C@H]1[C@@H]2C(=O)N(c3ccccc3F)C([O-])=C2ON1c1ccccc1 ZINC000017995565 556275152 /nfs/dbraw/zinc/27/51/52/556275152.db2.gz MOLRWMHDRADDEH-FKBYEOEOSA-N -1 3 497.320 4.648 40 0 JJABHM CC(C)c1ccc(NC(=O)N2CCC(c3nc4c(nnn4Cc4ccc(F)cc4)c(=O)[n-]3)CC2)cc1 ZINC000013083146 556279121 /nfs/dbraw/zinc/27/91/21/556279121.db2.gz XIGQPLUQQWCOGI-UHFFFAOYSA-N -1 3 489.555 4.649 40 0 JJABHM CCOC(=O)c1ccc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)c1 ZINC000030848233 556376095 /nfs/dbraw/zinc/37/60/95/556376095.db2.gz HISSTIZFUBUTIQ-UHFFFAOYSA-N -1 3 472.950 4.878 40 0 JJABHM COc1ccc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4cc(C)ccc4o3)c2)c(OC)c1 ZINC000059294609 569602646 /nfs/dbraw/zinc/60/26/46/569602646.db2.gz PROHOIDDYXKRFM-UHFFFAOYSA-N -1 3 463.515 4.653 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)cc2)cc1 ZINC000033382696 569625370 /nfs/dbraw/zinc/62/53/70/569625370.db2.gz QFJLULCPABCMCZ-UHFFFAOYSA-N -1 3 474.966 4.865 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3C)cc2)cc1 ZINC000033393354 569625665 /nfs/dbraw/zinc/62/56/65/569625665.db2.gz VPFCKDRKZMVWDD-UHFFFAOYSA-N -1 3 474.966 4.865 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)Nc1ccccc1C(F)(F)F ZINC000033645526 569629469 /nfs/dbraw/zinc/62/94/69/569629469.db2.gz LWVHQVSPUKCJED-UHFFFAOYSA-N -1 3 468.428 4.663 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1 ZINC000033761226 569633900 /nfs/dbraw/zinc/63/39/00/569633900.db2.gz DZVGBBIVLKKNAX-UHFFFAOYSA-N -1 3 454.548 4.520 40 0 JJABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Br)c3)cc2)c1 ZINC000034864182 569667886 /nfs/dbraw/zinc/66/78/86/569667886.db2.gz RRPBFCVSEKTAOH-UHFFFAOYSA-N -1 3 489.391 4.884 40 0 JJABHM O=C(Nc1ccc(NC([S-])=NC(=O)C(Cl)(Cl)Cl)cc1)c1cccc(Cl)c1 ZINC000035269538 569679221 /nfs/dbraw/zinc/67/92/21/569679221.db2.gz YHVTUPNBCYNLEA-UHFFFAOYSA-N -1 3 451.162 4.776 40 0 JJABHM O=C(Nc1ccc(NC(=S)[N-]C(=O)C(Cl)(Cl)Cl)cc1)c1cccc(Cl)c1 ZINC000035269538 569679222 /nfs/dbraw/zinc/67/92/22/569679222.db2.gz YHVTUPNBCYNLEA-UHFFFAOYSA-N -1 3 451.162 4.776 40 0 JJABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Br)c3)cc2)c1 ZINC000035419674 569692227 /nfs/dbraw/zinc/69/22/27/569692227.db2.gz XHNNZOQTTXUJAE-UHFFFAOYSA-N -1 3 475.364 4.576 40 0 JJABHM CCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@H]3c2ccccc2)cc1 ZINC000096178812 569737033 /nfs/dbraw/zinc/73/70/33/569737033.db2.gz XCAQZBSZLIKKDG-VJBWXMMDSA-N -1 3 476.916 4.568 40 0 JJABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)cc1 ZINC000100123864 569753277 /nfs/dbraw/zinc/75/32/77/569753277.db2.gz QZXIZLNPZVLRRS-GSDHBNRESA-N -1 3 450.494 4.900 40 0 JJABHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000100766243 569769247 /nfs/dbraw/zinc/76/92/47/569769247.db2.gz LWPNXNWVCGBEOG-FSSWDIPSSA-N -1 3 476.554 4.593 40 0 JJABHM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc(C)cc1 ZINC000100766353 569769268 /nfs/dbraw/zinc/76/92/68/569769268.db2.gz NYMXESZBJXQADW-ZRBLBEILSA-N -1 3 490.581 4.901 40 0 JJABHM COC(=O)c1c2c(sc1N1C(=O)[C@H]3C(=C1[O-])ON(c1ccccc1)[C@@H]3c1cccs1)CCCC2 ZINC000100865922 569772903 /nfs/dbraw/zinc/77/29/03/569772903.db2.gz ZLKSTWHCZXRWLO-NJYVYQBISA-N -1 3 494.594 4.526 40 0 JJABHM CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1[O-] ZINC000036612799 569777966 /nfs/dbraw/zinc/77/79/66/569777966.db2.gz NDOXRDNPBQPGOM-QGZVFWFLSA-N -1 3 469.847 4.730 40 0 JJABHM CCCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)cc1 ZINC000101029487 569779983 /nfs/dbraw/zinc/77/99/83/569779983.db2.gz DDAVAODKVWGTQY-DSITVLBTSA-N -1 3 458.514 4.622 40 0 JJABHM COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000101034843 569780170 /nfs/dbraw/zinc/78/01/70/569780170.db2.gz FXRVZIUSXVMWPB-FKBYEOEOSA-N -1 3 485.323 4.759 40 0 JJABHM COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C([O-])=C3ON2c2ccccc2)c1 ZINC000101165208 569785408 /nfs/dbraw/zinc/78/54/08/569785408.db2.gz GAZHQWQMDQVGHO-SGNDLWITSA-N -1 3 478.932 4.717 40 0 JJABHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(OCC)cc2)cc1 ZINC000101195196 569786758 /nfs/dbraw/zinc/78/67/58/569786758.db2.gz RSUPTSRMDPGAAO-CYXNTTPDSA-N -1 3 472.541 4.925 40 0 JJABHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(OCC)cc2)cc1 ZINC000101195194 569786834 /nfs/dbraw/zinc/78/68/34/569786834.db2.gz RSUPTSRMDPGAAO-GSDHBNRESA-N -1 3 472.541 4.925 40 0 JJABHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2c(F)cccc2Cl)c1 ZINC000101249453 569788061 /nfs/dbraw/zinc/78/80/61/569788061.db2.gz GTHLNEAZSXTCLN-BDTNDASRSA-N -1 3 452.869 4.539 40 0 JJABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(F)c4)C([O-])=C3ON2c2ccc(OC)cc2)cc1 ZINC000102698420 569816085 /nfs/dbraw/zinc/81/60/85/569816085.db2.gz XGWGFGYXGUMXJS-XPWALMASSA-N -1 3 482.895 4.547 40 0 JJABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C([O-])=C3ON2c2ccc(OC)cc2)cc1 ZINC000102698717 569816167 /nfs/dbraw/zinc/81/61/67/569816167.db2.gz WBODFGCOJUDTNL-TZRRMPRUSA-N -1 3 478.932 4.717 40 0 JJABHM COc1cc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000102739051 569818902 /nfs/dbraw/zinc/81/89/02/569818902.db2.gz BWJOUYSEFHXRDJ-UODIDJSMSA-N -1 3 466.493 4.605 40 0 JJABHM COc1cc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000102739055 569818947 /nfs/dbraw/zinc/81/89/47/569818947.db2.gz BWJOUYSEFHXRDJ-KKUQBAQOSA-N -1 3 466.493 4.605 40 0 JJABHM COc1ccc(Br)cc1[C@H]1[C@H]2C(=O)N(c3ccccc3C)C([O-])=C2ON1c1ccccc1 ZINC000102759030 569821450 /nfs/dbraw/zinc/82/14/50/569821450.db2.gz AIBHKCYLLCQTEJ-XPWALMASSA-N -1 3 493.357 4.817 40 0 JJABHM CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000102761064 569822037 /nfs/dbraw/zinc/82/20/37/569822037.db2.gz PRCFAYVJKTVJGO-DSNGMDLFSA-N -1 3 476.504 4.674 40 0 JJABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000102764162 569822660 /nfs/dbraw/zinc/82/26/60/569822660.db2.gz BVVWUAPNOGNLQI-XPWALMASSA-N -1 3 493.357 4.817 40 0 JJABHM Cc1nn2c(nnc3c2ccn([N-]C(=O)c2ccc(Cl)cc2Cl)c3=O)c1-c1ccc(Cl)cc1 ZINC000040396040 569825505 /nfs/dbraw/zinc/82/55/05/569825505.db2.gz KKFXVPRZGAQKMG-UHFFFAOYSA-N -1 3 499.745 4.759 40 0 JJABHM Cc1nn2c(ncc3c2ccn([N-]C(=O)c2ccc(Cl)cc2Cl)c3=O)c1-c1ccccc1 ZINC000040396336 569825713 /nfs/dbraw/zinc/82/57/13/569825713.db2.gz JTOYMFJYYSGBCZ-UHFFFAOYSA-N -1 3 464.312 4.710 40 0 JJABHM O=C(Nc1ccc(Cl)c(Cl)c1)C1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000040399210 569826133 /nfs/dbraw/zinc/82/61/33/569826133.db2.gz CJXPYWWLYSABRS-GFCCVEGCSA-N -1 3 478.723 4.538 40 0 JJABHM O=C(Nc1cccc(Cl)c1Cl)C1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000040399293 569826307 /nfs/dbraw/zinc/82/63/07/569826307.db2.gz DIWCWRKOPFXCMO-LLVKDONJSA-N -1 3 478.723 4.538 40 0 JJABHM O=C(Nc1ccc(Cl)c(Cl)c1)C1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000040399386 569826635 /nfs/dbraw/zinc/82/66/35/569826635.db2.gz TZHHLRFIUXCRCG-GFCCVEGCSA-N -1 3 478.723 4.538 40 0 JJABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3Br)cc2)c1 ZINC000107584893 569856598 /nfs/dbraw/zinc/85/65/98/569856598.db2.gz GWXOAMHWSHZBCR-UHFFFAOYSA-N -1 3 489.391 4.884 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1Cl ZINC000107803822 569857462 /nfs/dbraw/zinc/85/74/62/569857462.db2.gz SEVHEHWXSFOUQP-UHFFFAOYSA-N -1 3 474.966 4.784 40 0 JJABHM COc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1Cl ZINC000107977320 569858136 /nfs/dbraw/zinc/85/81/36/569858136.db2.gz IGSUVUJHNLSXHK-UHFFFAOYSA-N -1 3 474.966 4.784 40 0 JJABHM CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000108176908 569858945 /nfs/dbraw/zinc/85/89/45/569858945.db2.gz GQRKKSHGMIXNSH-UHFFFAOYSA-N -1 3 454.548 4.520 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1Cl ZINC000108980439 569860139 /nfs/dbraw/zinc/86/01/39/569860139.db2.gz LMXNMWHBIDHIKK-UHFFFAOYSA-N -1 3 481.357 4.820 40 0 JJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2Cl)cc1 ZINC000216483574 569879038 /nfs/dbraw/zinc/87/90/38/569879038.db2.gz KLROTONYYJTBED-UHFFFAOYSA-N -1 3 487.984 4.551 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)N(C)Cc1ccccc1F ZINC000222799451 569891392 /nfs/dbraw/zinc/89/13/92/569891392.db2.gz XVNAEYZLNYMJJR-UHFFFAOYSA-N -1 3 476.957 4.626 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3c4ccccc4C[C@H]3C)c(C)c2)cc1C ZINC000222809986 569891715 /nfs/dbraw/zinc/89/17/15/569891715.db2.gz HNSGODLFIRXYRP-HXUWFJFHSA-N -1 3 464.587 4.769 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)c3ccc(F)cc3)c(C)c2)cc1C ZINC000222812199 569891751 /nfs/dbraw/zinc/89/17/51/569891751.db2.gz NSEWFGCXAQKHOM-UHFFFAOYSA-N -1 3 456.539 4.594 40 0 JJABHM CCOc1ccc(Cl)cc1S(=O)(=O)[N-]CCCNc1ccnc2cc(Cl)ccc21 ZINC000223005918 569896690 /nfs/dbraw/zinc/89/66/90/569896690.db2.gz FLHGKGIAHSYBEQ-UHFFFAOYSA-N -1 3 454.379 4.721 40 0 JJABHM Cc1ccc([C@@H]([N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3Cl)s2)c2ccccc2)cc1 ZINC000224272670 569938814 /nfs/dbraw/zinc/93/88/14/569938814.db2.gz FDHRIUFZZVZHND-FQEVSTJZSA-N -1 3 499.017 4.820 40 0 JJABHM CCc1ccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000224408769 569943707 /nfs/dbraw/zinc/94/37/07/569943707.db2.gz HDEQNEBCPXWHBI-UHFFFAOYSA-N -1 3 458.967 4.512 40 0 JJABHM Cc1[nH]c(C)c([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1I ZINC000224592852 569949790 /nfs/dbraw/zinc/94/97/90/569949790.db2.gz OESXQZSHDJTHOR-RTBURBONSA-N -1 3 490.370 4.514 40 0 JJABHM COC(=O)c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1 ZINC000224623293 569951261 /nfs/dbraw/zinc/95/12/61/569951261.db2.gz LNXPDXXCECJWIK-RPWUZVMVSA-N -1 3 470.554 4.542 40 0 JJABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1cccnc1 ZINC000224864526 569960716 /nfs/dbraw/zinc/96/07/16/569960716.db2.gz DVXBIVVBQVKCNL-GOTSBHOMSA-N -1 3 461.978 4.863 40 0 JJABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1Cc1cccnc1 ZINC000224864590 569960753 /nfs/dbraw/zinc/96/07/53/569960753.db2.gz DVXBIVVBQVKCNL-XZOQPEGZSA-N -1 3 461.978 4.863 40 0 JJABHM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1)N1CCCCCC1 ZINC000408594298 569965325 /nfs/dbraw/zinc/96/53/25/569965325.db2.gz OIXLQURCVSZLGB-UHFFFAOYSA-N -1 3 470.364 4.797 40 0 JJABHM CCOc1ccccc1NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408607850 569971606 /nfs/dbraw/zinc/97/16/06/569971606.db2.gz QQNPWBBPKSCDQI-FQEVSTJZSA-N -1 3 493.412 4.920 40 0 JJABHM COc1cccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000408608556 569971860 /nfs/dbraw/zinc/97/18/60/569971860.db2.gz RJBYGVBDOVRJPR-HXUWFJFHSA-N -1 3 479.385 4.530 40 0 JJABHM CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1 ZINC000408609539 569972081 /nfs/dbraw/zinc/97/20/81/569972081.db2.gz TYIQBHZQEPJCOY-GOSISDBHSA-N -1 3 454.548 4.572 40 0 JJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000408611861 569972965 /nfs/dbraw/zinc/97/29/65/569972965.db2.gz XCUIHSQBOUUUNW-MRVPVSSYSA-N -1 3 472.177 4.614 40 0 JJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000408626751 569980778 /nfs/dbraw/zinc/98/07/78/569980778.db2.gz WMLDPZIHECFGPI-OAHLLOKOSA-N -1 3 477.007 4.805 40 0 JJABHM CCc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1Cl ZINC000408635431 569985794 /nfs/dbraw/zinc/98/57/94/569985794.db2.gz BCUAXYBPVCQDAQ-UHFFFAOYSA-N -1 3 474.966 4.729 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)cc1 ZINC000408637270 569987308 /nfs/dbraw/zinc/98/73/08/569987308.db2.gz ZFUGKJPJJQJNEJ-UHFFFAOYSA-N -1 3 474.966 4.784 40 0 JJABHM O=C([N-]N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)c1ccccc1Cl ZINC000408659680 569999750 /nfs/dbraw/zinc/99/97/50/569999750.db2.gz OZKAUPNJQLTIGM-SCAKWATOSA-N -1 3 497.765 4.578 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)N[C@H](C)c1ccccc1 ZINC000408674601 570009203 /nfs/dbraw/zinc/00/92/03/570009203.db2.gz ALVRBASKXVYYJZ-QGZVFWFLSA-N -1 3 458.967 4.705 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(F)cc1F ZINC000408674621 570009226 /nfs/dbraw/zinc/00/92/26/570009226.db2.gz ARNMDBQQHFRWAD-UHFFFAOYSA-N -1 3 466.893 4.745 40 0 JJABHM CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2C)cc1 ZINC000408674720 570009388 /nfs/dbraw/zinc/00/93/88/570009388.db2.gz GHXPFMWDNQIJKG-UHFFFAOYSA-N -1 3 496.585 4.607 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000408674845 570009488 /nfs/dbraw/zinc/00/94/88/570009488.db2.gz DCDAFXYJOXUTLE-UHFFFAOYSA-N -1 3 466.893 4.745 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3CC)c(C)c2)cc1 ZINC000408675007 570009837 /nfs/dbraw/zinc/00/98/37/570009837.db2.gz OPOSPSOWDOIQPJ-UHFFFAOYSA-N -1 3 468.575 4.774 40 0 JJABHM COc1cccc(C(=O)CC(=C([O-])c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000408682839 570012975 /nfs/dbraw/zinc/01/29/75/570012975.db2.gz JZNPXLSRUBYBQV-QHCPKHFHSA-N -1 3 456.947 4.955 40 0 JJABHM Cc1nc(-c2cccc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)c2)cs1 ZINC000226084589 570036689 /nfs/dbraw/zinc/03/66/89/570036689.db2.gz YOIJIDRTTQYDRG-UHFFFAOYSA-N -1 3 479.583 4.937 40 0 JJABHM CCOc1cc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc(Br)c1[O-] ZINC000409057404 570112415 /nfs/dbraw/zinc/11/24/15/570112415.db2.gz PLEDPGUFGLKRAQ-YBEGLDIGSA-N -1 3 450.310 4.803 40 0 JJABHM CCOc1cc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc(I)c1[O-] ZINC000409057987 570112701 /nfs/dbraw/zinc/11/27/01/570112701.db2.gz QWWRPHYCVOXZQV-YBEGLDIGSA-N -1 3 497.310 4.645 40 0 JJABHM CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CCN(Cc4ccc(OCC(=O)[O-])cc4)C[C@H]3C[C@H]21 ZINC000257239627 570120059 /nfs/dbraw/zinc/12/00/59/570120059.db2.gz HQDQUPKNDRXVQD-QAJSZCMLSA-N -1 3 471.981 4.943 40 0 JJABHM CC(C)CN1C(=O)C2(C[C@@H]1Cc1ccc(F)cc1)CCN(Cc1ccccc1C(=O)[O-])CC2 ZINC000257261287 570126754 /nfs/dbraw/zinc/12/67/54/570126754.db2.gz LGOKAZRURRCYRA-QHCPKHFHSA-N -1 3 452.570 4.606 40 0 JJABHM CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)c([O-])c(OCC)c3)C2=O)cc1 ZINC000409107231 570130721 /nfs/dbraw/zinc/13/07/21/570130721.db2.gz RFDSWISLFRKHEL-WOJGMQOQSA-N -1 3 476.938 4.518 40 0 JJABHM COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(I)c1[O-] ZINC000409125284 570137604 /nfs/dbraw/zinc/13/76/04/570137604.db2.gz DSMMLISFTMBKGW-OQLLNIDSSA-N -1 3 473.332 4.622 40 0 JJABHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Nc1cc(Cl)c(Cl)cc1Cl ZINC000409139297 570143753 /nfs/dbraw/zinc/14/37/53/570143753.db2.gz CHEQEWOUFTTWCK-UHFFFAOYSA-N -1 3 462.569 4.871 40 0 JJABHM CCOc1cccc2c1OC(C)(C)[C@@H]1C[C@@H]3[C@@H](CCCN3Cc3ccc(OCC(=O)[O-])cc3)O[C@@H]21 ZINC000257324528 570145832 /nfs/dbraw/zinc/14/58/32/570145832.db2.gz WPCZSRLXWGSRKW-FCBCXNLDSA-N -1 3 481.589 4.831 40 0 JJABHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc(Cl)c1[O-] ZINC000409152870 570149636 /nfs/dbraw/zinc/14/96/36/570149636.db2.gz GKACJFBOTSWABO-PXNMLYILSA-N -1 3 467.330 4.773 40 0 JJABHM CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc(Cl)c1[O-] ZINC000409177117 570157368 /nfs/dbraw/zinc/15/73/68/570157368.db2.gz AYJDOJLITOTFPT-ZDLGFXPLSA-N -1 3 460.939 4.736 40 0 JJABHM Cc1cccc(C)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408553251 570195798 /nfs/dbraw/zinc/19/57/98/570195798.db2.gz PLYLITDDLOTUCZ-UHFFFAOYSA-N -1 3 489.391 4.884 40 0 JJABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2Cl)cc1C ZINC000408560814 570200724 /nfs/dbraw/zinc/20/07/24/570200724.db2.gz FEBQZTQQUULPDE-UHFFFAOYSA-N -1 3 462.930 4.914 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)Nc1ccc(F)cc1F ZINC000408561869 570201384 /nfs/dbraw/zinc/20/13/84/570201384.db2.gz WGGFWGBKULIWSC-UHFFFAOYSA-N -1 3 497.317 4.546 40 0 JJABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1NC(=O)c1cccc(Cl)c1 ZINC000408562357 570201779 /nfs/dbraw/zinc/20/17/79/570201779.db2.gz ZFWYSJMZBZCACS-UHFFFAOYSA-N -1 3 488.949 4.563 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCC3=CCCCC3)c(Cl)c2)cc1 ZINC000408581967 570206823 /nfs/dbraw/zinc/20/68/23/570206823.db2.gz BFSXGCPEGXXFLP-UHFFFAOYSA-N -1 3 462.999 4.835 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)CCc3ccccc3)cc2)cc1C ZINC000408584260 570207517 /nfs/dbraw/zinc/20/75/17/570207517.db2.gz NOSSUSZVHGSTRT-NRFANRHFSA-N -1 3 466.603 4.621 40 0 JJABHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408587537 570208414 /nfs/dbraw/zinc/20/84/14/570208414.db2.gz DSRXWKHURAUCRA-INIZCTEOSA-N -1 3 450.988 4.665 40 0 JJABHM CCN(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1 ZINC000408589440 570208805 /nfs/dbraw/zinc/20/88/05/570208805.db2.gz HQRMNXPMPMMCNC-UHFFFAOYSA-N -1 3 453.564 4.940 40 0 JJABHM COc1ccccc1-n1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccccc1[O-] ZINC000000915874 193966058 /nfs/dbraw/zinc/96/60/58/193966058.db2.gz MNTWXLBTRDHHCZ-UHFFFAOYSA-N -1 3 460.559 4.996 40 0 JJABHM COC(=O)C(CC(=O)Nc1ccc(Cl)c(Cl)c1)=C([O-])C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000001620617 194129449 /nfs/dbraw/zinc/12/94/49/194129449.db2.gz GZJNZEIEHIZICR-NSHDSACASA-N -1 3 492.142 4.626 40 0 JJABHM COc1cc([C@H]2Nc3c(sc(=S)n3-c3ccccc3)C(=O)N2)cc(Br)c1[O-] ZINC000059459474 195402990 /nfs/dbraw/zinc/40/29/90/195402990.db2.gz OZHKLJRFAKVSSA-HNNXBMFYSA-N -1 3 464.366 4.599 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3Br)c(C)c2)cc1 ZINC000409382285 195514622 /nfs/dbraw/zinc/51/46/22/195514622.db2.gz MNZLAUBOUFODJX-UHFFFAOYSA-N -1 3 489.391 4.884 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(Cl)c3)cc2)cc1 ZINC000020464906 521133929 /nfs/dbraw/zinc/13/39/29/521133929.db2.gz BGYGUYHNMPQDFM-INIZCTEOSA-N -1 3 474.966 4.946 40 0 JJABHM Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1C ZINC000022537003 524330075 /nfs/dbraw/zinc/33/00/75/524330075.db2.gz ZZKLLNOXPPYPNX-LJQANCHMSA-N -1 3 470.566 4.808 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cc(C)cc(C)c3C)cc2)cc1 ZINC000020491949 524692915 /nfs/dbraw/zinc/69/29/15/524692915.db2.gz FGJWFTQAQVUKPE-LJQANCHMSA-N -1 3 468.575 4.827 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(C)c3C)cc2)cc1 ZINC000022521843 524693739 /nfs/dbraw/zinc/69/37/39/524693739.db2.gz JHLQTCCEVCDKFV-GOSISDBHSA-N -1 3 454.548 4.519 40 0 JJABHM COc1ccc(OC)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)c1 ZINC000020459887 524866069 /nfs/dbraw/zinc/86/60/69/524866069.db2.gz MHUSAMJMINXXLK-UHFFFAOYSA-N -1 3 460.939 4.719 40 0 JJABHM COc1ccc(OC[C@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000020494171 524970023 /nfs/dbraw/zinc/97/00/23/524970023.db2.gz VCURYMUBVVMCBQ-KRWDZBQOSA-N -1 3 488.993 4.655 40 0 JJABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4cccc(C(F)(F)F)c4)[n-]c(=O)c32)c(Cl)c1 ZINC000040400335 525199336 /nfs/dbraw/zinc/19/93/36/525199336.db2.gz PQXZBVLESXPOAJ-CYBMUJFWSA-N -1 3 491.857 4.559 40 0 JJABHM Cc1ccc(OCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000044883081 525422990 /nfs/dbraw/zinc/42/29/90/525422990.db2.gz XGBPIKIJGCNCAB-UHFFFAOYSA-N -1 3 458.967 4.566 40 0 JJABHM O=C(C=c1[nH]c2nnc([N-]C(=O)Nc3ccc(Cl)cc3)n2c1=O)c1cccc2ccccc21 ZINC000005664368 526339923 /nfs/dbraw/zinc/33/99/23/526339923.db2.gz AHYVTAFPSDQBOX-UHFFFAOYSA-N -1 3 458.865 4.728 40 0 JJABHM Cc1nccn1-c1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000020459716 527373481 /nfs/dbraw/zinc/37/34/81/527373481.db2.gz GESQTGJGXDQHHS-UHFFFAOYSA-N -1 3 495.004 4.873 40 0 JJABHM Cc1nccn1-c1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000022511177 527385567 /nfs/dbraw/zinc/38/55/67/527385567.db2.gz GIHCAHCWDRQWKK-UHFFFAOYSA-N -1 3 488.613 4.837 40 0 JJABHM COc1ccccc1-n1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccccc1[O-] ZINC000000915846 553846034 /nfs/dbraw/zinc/84/60/34/553846034.db2.gz RMCATUUDKVNQNO-UHFFFAOYSA-N -1 3 450.495 4.518 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(Cc4ccc(F)cc4)CC3)cc2)cc1 ZINC000009063617 554881378 /nfs/dbraw/zinc/88/13/78/554881378.db2.gz SIOCPYPWGFQFKS-UHFFFAOYSA-N -1 3 481.593 4.786 40 0 JJABHM COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc([O-])c(-c3nc4ccc(C)cc4o3)c2)c1 ZINC000009064895 554884391 /nfs/dbraw/zinc/88/43/91/554884391.db2.gz HQWCSAHIEISADF-UHFFFAOYSA-N -1 3 463.515 4.653 40 0 JJABHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCSCc1c(Cl)cccc1Cl ZINC000013237049 555370295 /nfs/dbraw/zinc/37/02/95/555370295.db2.gz LTNRJKPZZQMRLF-UHFFFAOYSA-N -1 3 485.252 4.976 40 0 JJABHM COc1ccc(N2OC3=C([O-])N(c4cccc5ccccc54)C(=O)[C@@H]3[C@@H]2c2ccccc2)cc1 ZINC000013563595 555498744 /nfs/dbraw/zinc/49/87/44/555498744.db2.gz KKTSAQMJSJALQX-UODIDJSMSA-N -1 3 450.494 4.900 40 0 JJABHM COC(=O)c1cc2cc(NC(=O)COc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)ccc2s1 ZINC000020019939 555596147 /nfs/dbraw/zinc/59/61/47/555596147.db2.gz RBCSZWAYBHCTEL-UHFFFAOYSA-N -1 3 496.566 4.506 40 0 JJABHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(Cl)cc3)cc2)c1 ZINC000020020190 555596536 /nfs/dbraw/zinc/59/65/36/555596536.db2.gz AWARUKFNGGITFD-KRWDZBQOSA-N -1 3 458.967 4.705 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N[C@H]1CCCc2ccccc21 ZINC000020020435 555597293 /nfs/dbraw/zinc/59/72/93/555597293.db2.gz MXURRHVLQNQOEP-QHCPKHFHSA-N -1 3 470.978 4.713 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)Nc1cc(F)ccc1F ZINC000020020933 555597909 /nfs/dbraw/zinc/59/79/09/555597909.db2.gz RXLCIRUKEIGDIK-UHFFFAOYSA-N -1 3 486.418 4.802 40 0 JJABHM COc1ccccc1[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000020021077 555598130 /nfs/dbraw/zinc/59/81/30/555598130.db2.gz TWEOMVHXHIKJSH-KRWDZBQOSA-N -1 3 488.993 4.714 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3F)cc2)cc1Cl ZINC000020021101 555598182 /nfs/dbraw/zinc/59/81/82/555598182.db2.gz AERROVDQOZDIGI-UHFFFAOYSA-N -1 3 466.893 4.745 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H]3CCCc4ccccc43)c(C)c2)cc1 ZINC000020021599 555598795 /nfs/dbraw/zinc/59/87/95/555598795.db2.gz VDRIELWKOSIOKB-XMMPIXPASA-N -1 3 464.587 4.677 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000020022424 555599924 /nfs/dbraw/zinc/59/99/24/555599924.db2.gz MDJACNCULGMZSF-MRXNPFEDSA-N -1 3 476.957 4.845 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)Nc1cc(F)ccc1F ZINC000020022412 555600004 /nfs/dbraw/zinc/60/00/04/555600004.db2.gz HHQNIBYXTBCYHT-UHFFFAOYSA-N -1 3 466.893 4.745 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(F)c(F)c1F ZINC000020022409 555600038 /nfs/dbraw/zinc/60/00/38/555600038.db2.gz YNDQTFBFJGRWOW-UHFFFAOYSA-N -1 3 484.883 4.884 40 0 JJABHM COc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC000020041592 555613960 /nfs/dbraw/zinc/61/39/60/555613960.db2.gz PMFAWTKKSVIIQF-UHFFFAOYSA-N -1 3 456.589 4.844 40 0 JJABHM CCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2)cc1OCC ZINC000020049695 555619149 /nfs/dbraw/zinc/61/91/49/555619149.db2.gz XPWXGXSAYQYJPV-UHFFFAOYSA-N -1 3 498.601 4.865 40 0 JJABHM CCOC(=O)C1=C(C)N(c2ccccc2C)C(=O)N[C@@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000013914186 555646067 /nfs/dbraw/zinc/64/60/67/555646067.db2.gz HSEVQWJPTLJURZ-LJQANCHMSA-N -1 3 475.339 4.580 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](CC)Oc3ccc(F)cc3)cc2)cc1 ZINC000020112749 555650297 /nfs/dbraw/zinc/65/02/97/555650297.db2.gz ADMGCYAGUILWCJ-HSZRJFAPSA-N -1 3 472.538 4.821 40 0 JJABHM COc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000014006576 555668605 /nfs/dbraw/zinc/66/86/05/555668605.db2.gz MJKBIUUPULMAAG-GOSISDBHSA-N -1 3 454.548 4.519 40 0 JJABHM [O-]C(c1ccccc1)=C1[C@@H](c2cccc(Oc3ccccc3)c2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000011691801 555800581 /nfs/dbraw/zinc/80/05/81/555800581.db2.gz QUSHGXPSJCXDML-VIZSFHNOSA-N -1 3 472.488 4.748 40 0 JJABHM CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000014398280 555803831 /nfs/dbraw/zinc/80/38/31/555803831.db2.gz RMRVDKSGFNJZQY-HSZRJFAPSA-N -1 3 454.548 4.601 40 0 JJABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2C)cc1 ZINC000011859315 555838514 /nfs/dbraw/zinc/83/85/14/555838514.db2.gz KXBLFULCECQWAW-XPWALMASSA-N -1 3 493.357 4.817 40 0 JJABHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc(Cl)cc2)N3)N1 ZINC000020602322 555843137 /nfs/dbraw/zinc/84/31/37/555843137.db2.gz REFPUEIFRXQLPG-MRRJBJDNSA-N -1 3 495.811 4.670 40 0 JJABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc5nsnc5c4)ccc3[O-])nc2c1 ZINC000021596131 555854600 /nfs/dbraw/zinc/85/46/00/555854600.db2.gz GVNQQKLKYMHTHK-UHFFFAOYSA-N -1 3 475.555 4.894 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3OC)cc2)cc1 ZINC000015438982 555909037 /nfs/dbraw/zinc/90/90/37/555909037.db2.gz NQHWAPTWICZNPQ-UHFFFAOYSA-N -1 3 460.939 4.800 40 0 JJABHM CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000016162350 556127803 /nfs/dbraw/zinc/12/78/03/556127803.db2.gz UCKUCNKRYJEKME-UHFFFAOYSA-N -1 3 452.576 4.938 40 0 JJABHM COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccc(Cl)cc2)ccc1O ZINC000017746517 556265838 /nfs/dbraw/zinc/26/58/38/556265838.db2.gz DATOMUUNBYGINO-FSSWDIPSSA-N -1 3 485.323 4.759 40 0 JJABHM COc1cc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000017953547 556272464 /nfs/dbraw/zinc/27/24/64/556272464.db2.gz BWJOUYSEFHXRDJ-GSDHBNRESA-N -1 3 466.493 4.605 40 0 JJABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000018008621 556275835 /nfs/dbraw/zinc/27/58/35/556275835.db2.gz YRLAJCYNFMQPET-VJBWXMMDSA-N -1 3 493.357 4.817 40 0 JJABHM CC(C)(C)c1ccc(Cn2nnc3c2nc(C2CCN(C(=O)CCC4CCCC4)CC2)[n-]c3=O)cc1 ZINC000013083130 556279158 /nfs/dbraw/zinc/27/91/58/556279158.db2.gz BHNRRPNZMPWIDJ-UHFFFAOYSA-N -1 3 490.652 4.949 40 0 JJABHM CCCCCCC(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3c(Cl)cccc3Cl)c(=O)[n-]2)C1 ZINC000013083600 556280284 /nfs/dbraw/zinc/28/02/84/556280284.db2.gz QMDLPTDAMJTFSF-OAHLLOKOSA-N -1 3 491.423 4.958 40 0 JJABHM COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)c1 ZINC000018098374 556287478 /nfs/dbraw/zinc/28/74/78/556287478.db2.gz PIXHGMNZUYLXTO-PVHODMMVSA-N -1 3 480.520 4.908 40 0 JJABHM Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000030753439 556372270 /nfs/dbraw/zinc/37/22/70/556372270.db2.gz HMKQXEGKOMQQIW-GOSISDBHSA-N -1 3 456.539 4.958 40 0 JJABHM Cc1nccn1-c1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000030850407 556377253 /nfs/dbraw/zinc/37/72/53/556377253.db2.gz OEMLDYZPGSAJKY-UHFFFAOYSA-N -1 3 488.613 4.837 40 0 JJABHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)c1 ZINC000033407580 569625974 /nfs/dbraw/zinc/62/59/74/569625974.db2.gz FKLDOWGBJXYGEL-UHFFFAOYSA-N -1 3 489.391 4.884 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 ZINC000033510815 569627101 /nfs/dbraw/zinc/62/71/01/569627101.db2.gz MSAWLISJFVEEBA-UHFFFAOYSA-N -1 3 474.966 4.865 40 0 JJABHM Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000033717434 569631725 /nfs/dbraw/zinc/63/17/25/569631725.db2.gz TZASONLEGNKMOT-UHFFFAOYSA-N -1 3 478.492 4.510 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1 ZINC000033786546 569634967 /nfs/dbraw/zinc/63/49/67/569634967.db2.gz FVLXEZGZEPMJAX-UHFFFAOYSA-N -1 3 454.548 4.520 40 0 JJABHM Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000035044470 569674003 /nfs/dbraw/zinc/67/40/03/569674003.db2.gz YQKRKRYASAASCL-UHFFFAOYSA-N -1 3 464.465 4.832 40 0 JJABHM O=C(NC1CCCC1)[C@H](c1ccc2ncccc2c1)N(Cc1ccco1)C(=O)c1ccc([O-])cc1 ZINC000035288792 569679524 /nfs/dbraw/zinc/67/95/24/569679524.db2.gz DOBQNKRJBXEYMY-SANMLTNESA-N -1 3 469.541 4.976 40 0 JJABHM O=c1c2c(nc3cc([C@@H]4CCCN(Cc5ccccc5F)C4)[n-]n31)CCN(Cc1ccccc1F)C2 ZINC000100493042 569762194 /nfs/dbraw/zinc/76/21/94/569762194.db2.gz XXVKMQPQNAZQFD-OAQYLSRUSA-N -1 3 489.570 4.651 40 0 JJABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000100722367 569767982 /nfs/dbraw/zinc/76/79/82/569767982.db2.gz IPPSRKGTQIMDNV-BHIFYINESA-N -1 3 479.330 4.509 40 0 JJABHM Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Br)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101099611 569782521 /nfs/dbraw/zinc/78/25/21/569782521.db2.gz SLSDYWCIKPKNLR-FSSWDIPSSA-N -1 3 463.331 4.809 40 0 JJABHM CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccc(Br)c1 ZINC000101164319 569785301 /nfs/dbraw/zinc/78/53/01/569785301.db2.gz ILRRTUNBFQAYMI-ZRBLBEILSA-N -1 3 493.357 4.899 40 0 JJABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(F)c(Br)c2)cc1 ZINC000101180422 569786299 /nfs/dbraw/zinc/78/62/99/569786299.db2.gz AGYOFJYQOBMALH-BDTNDASRSA-N -1 3 481.321 4.948 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)c(Cl)c2)cc1 ZINC000038556552 569805337 /nfs/dbraw/zinc/80/53/37/569805337.db2.gz LHOVASOELMBLDB-KRWDZBQOSA-N -1 3 488.993 4.796 40 0 JJABHM COc1cccc([C@H]2[C@H]3C(=O)N(c4cccc(Br)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102706552 569816562 /nfs/dbraw/zinc/81/65/62/569816562.db2.gz DTCMDRMUZCKVQO-BHIFYINESA-N -1 3 479.330 4.509 40 0 JJABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1Br ZINC000102764035 569822648 /nfs/dbraw/zinc/82/26/48/569822648.db2.gz QIFYGGOSVKHCEK-BHIFYINESA-N -1 3 497.320 4.648 40 0 JJABHM COCc1nn2c(ncc3c2ccn([N-]C(=O)c2ccccc2Cl)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397855 569825792 /nfs/dbraw/zinc/82/57/92/569825792.db2.gz SPFWAOYRRGAYAL-UHFFFAOYSA-N -1 3 494.338 4.548 40 0 JJABHM O=C(Nc1cc(Cl)cc(Cl)c1)C1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000040399295 569826377 /nfs/dbraw/zinc/82/63/77/569826377.db2.gz KSTREMLLURNSKY-AWEZNQCLSA-N -1 3 478.723 4.538 40 0 JJABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4cc(Cl)cc(Cl)c4)[n-]c(=O)c32)cc1Cl ZINC000040399492 569826691 /nfs/dbraw/zinc/82/66/91/569826691.db2.gz VYMCWKQLESLAHJ-AWEZNQCLSA-N -1 3 492.750 4.847 40 0 JJABHM Cc1c(Cl)cccc1NC(=O)C1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[n-]c(=O)c21 ZINC000040399493 569826700 /nfs/dbraw/zinc/82/67/00/569826700.db2.gz STFWFYGTVBFJCJ-CYBMUJFWSA-N -1 3 492.750 4.847 40 0 JJABHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4ccc(Cl)cc4Cl)[n-]c(=O)c32)cc1Cl ZINC000040399567 569826772 /nfs/dbraw/zinc/82/67/72/569826772.db2.gz POEBDFQOWMJXPO-GFCCVEGCSA-N -1 3 492.750 4.847 40 0 JJABHM O=C(Nc1ccccc1Cl)C1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[n-]c(=O)c21 ZINC000040399552 569826799 /nfs/dbraw/zinc/82/67/99/569826799.db2.gz BBFSRLTYZOHYIY-JTQLQIEISA-N -1 3 478.723 4.538 40 0 JJABHM CC(C)c1ccc(NC(=O)C2CC(=O)Nc3nc(Nc4cccc(C(F)(F)F)c4)[n-]c(=O)c32)cc1 ZINC000040400245 569827353 /nfs/dbraw/zinc/82/73/53/569827353.db2.gz KRWGXXMJNRVRBK-KRWDZBQOSA-N -1 3 485.466 4.720 40 0 JJABHM Cc1cccc(CN2C(=O)S/C(=C\c3ccc([O-])c(I)c3)C2=O)c1 ZINC000106706862 569854921 /nfs/dbraw/zinc/85/49/21/569854921.db2.gz AHQMGLNHRKFTEJ-SXGWCWSVSA-N -1 3 451.285 4.542 40 0 JJABHM COc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)cc(I)c1[O-] ZINC000214592537 569876755 /nfs/dbraw/zinc/87/67/55/569876755.db2.gz DVOCMYIVEVKGDQ-CXUHLZMHSA-N -1 3 481.311 4.550 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3cccc4ccccc43)cc2)cc1 ZINC000222672964 569888182 /nfs/dbraw/zinc/88/81/82/569888182.db2.gz SECWBWCDUZHWDF-UHFFFAOYSA-N -1 3 460.555 4.644 40 0 JJABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)NCc2cccc3ccccc32)cc1 ZINC000222683239 569888406 /nfs/dbraw/zinc/88/84/06/569888406.db2.gz UBIDKMMIZFRRIG-UHFFFAOYSA-N -1 3 460.555 4.644 40 0 JJABHM COc1cccc(N(C)C(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c1 ZINC000222730762 569889734 /nfs/dbraw/zinc/88/97/34/569889734.db2.gz MMNUNWSHOMVCMH-UHFFFAOYSA-N -1 3 494.491 4.557 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3c4ccccc4C[C@@H]3C)cc2)cc1Cl ZINC000222731674 569889756 /nfs/dbraw/zinc/88/97/56/569889756.db2.gz GGCQEXGAPQDNEQ-INIZCTEOSA-N -1 3 486.977 4.506 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)NCc1cccc2ccccc21 ZINC000222803423 569891517 /nfs/dbraw/zinc/89/15/17/569891517.db2.gz VRIZTDUOBGNTMG-UHFFFAOYSA-N -1 3 478.545 4.783 40 0 JJABHM Cc1[nH]c(C)c([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2[O-])c1I ZINC000224592900 569949798 /nfs/dbraw/zinc/94/97/98/569949798.db2.gz OESXQZSHDJTHOR-MOPGFXCFSA-N -1 3 490.370 4.514 40 0 JJABHM COC(=O)c1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1[O-] ZINC000224623090 569951239 /nfs/dbraw/zinc/95/12/39/569951239.db2.gz UZARNWXPLNFEGJ-RPWUZVMVSA-N -1 3 470.554 4.542 40 0 JJABHM COCCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1C ZINC000224867513 569960923 /nfs/dbraw/zinc/96/09/23/569960923.db2.gz XQSWSFPVROHHLC-FCHUYYIVSA-N -1 3 456.999 4.682 40 0 JJABHM [O-]c1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1Cc1ccccn1 ZINC000224880115 569961601 /nfs/dbraw/zinc/96/16/01/569961601.db2.gz GNFBSUGEUJOFAB-PKTZIBPZSA-N -1 3 461.978 4.863 40 0 JJABHM CC(C)Sc1nnc([N-]C(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)s1 ZINC000224946362 569964433 /nfs/dbraw/zinc/96/44/33/569964433.db2.gz FLLAKONTNGSWDD-UHFFFAOYSA-N -1 3 475.061 4.509 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)CCc3ccccc3)cc2)cc1Cl ZINC000408593999 569965230 /nfs/dbraw/zinc/96/52/30/569965230.db2.gz RJQGIDRBWAYGOO-LJQANCHMSA-N -1 3 487.021 4.966 40 0 JJABHM CSc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)cc1C(=O)N1CCCCC1 ZINC000224963869 569965481 /nfs/dbraw/zinc/96/54/81/569965481.db2.gz ZPXLOUPONYJJMQ-UHFFFAOYSA-N -1 3 473.664 4.826 40 0 JJABHM O=C(Nc1cccc(F)c1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408602805 569969643 /nfs/dbraw/zinc/96/96/43/569969643.db2.gz IZVQURNBLQFSJS-IBGZPJMESA-N -1 3 467.349 4.661 40 0 JJABHM C[C@H](Oc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1)C(=O)NC1CCCCC1 ZINC000408603675 569969960 /nfs/dbraw/zinc/96/99/60/569969960.db2.gz CGENTXXPKGFMKP-AWEZNQCLSA-N -1 3 499.402 4.605 40 0 JJABHM COc1cccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000408608555 569971863 /nfs/dbraw/zinc/97/18/63/569971863.db2.gz RJBYGVBDOVRJPR-FQEVSTJZSA-N -1 3 479.385 4.530 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)ccc1NC(=O)c1ccccc1 ZINC000408617461 569976209 /nfs/dbraw/zinc/97/62/09/569976209.db2.gz CYAGZXNYKPELHA-UHFFFAOYSA-N -1 3 463.328 4.950 40 0 JJABHM CCn1c2ccccc2c2cc(NC(=O)[C@H](C)[N-]S(=O)(=O)c3cc(Cl)ccc3OC)ccc21 ZINC000408617572 569976294 /nfs/dbraw/zinc/97/62/94/569976294.db2.gz DCYXUTJKMANWEQ-HNNXBMFYSA-N -1 3 485.993 4.782 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3C)c(C)c2)cc1 ZINC000408674610 570009206 /nfs/dbraw/zinc/00/92/06/570009206.db2.gz CKZJSSIZZGVGDA-UHFFFAOYSA-N -1 3 454.548 4.520 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(Cl)cc3)c(C)c2)cc1C ZINC000408674852 570009565 /nfs/dbraw/zinc/00/95/65/570009565.db2.gz KBXGWCKDZNSEMR-UHFFFAOYSA-N -1 3 472.994 4.761 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(C)c2)cc1 ZINC000408674868 570009612 /nfs/dbraw/zinc/00/96/12/570009612.db2.gz LCCDMGOSBUDMGX-UHFFFAOYSA-N -1 3 474.966 4.784 40 0 JJABHM CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1C ZINC000408675344 570010137 /nfs/dbraw/zinc/01/01/37/570010137.db2.gz WEWHCWNLZGVRMJ-UHFFFAOYSA-N -1 3 468.575 4.829 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(C)c2)cc1 ZINC000408675449 570010345 /nfs/dbraw/zinc/01/03/45/570010345.db2.gz ZNWNDJUJJXLVKW-UHFFFAOYSA-N -1 3 468.575 4.829 40 0 JJABHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(Oc4ccc(Br)cc4)cc3)ccc21 ZINC000408682520 570012917 /nfs/dbraw/zinc/01/29/17/570012917.db2.gz JKOFGDSJCRZANB-UHFFFAOYSA-N -1 3 487.375 4.951 40 0 JJABHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1C(=O)N1CCCCCC1 ZINC000408693334 570015987 /nfs/dbraw/zinc/01/59/87/570015987.db2.gz ORDMNZAHMYQBAH-UHFFFAOYSA-N -1 3 457.379 4.819 40 0 JJABHM CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000408694538 570017011 /nfs/dbraw/zinc/01/70/11/570017011.db2.gz JIMCMXNZHJCWTJ-OAQYLSRUSA-N -1 3 468.575 4.909 40 0 JJABHM CCCn1c(=O)sc2cc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3Cl)ccc21 ZINC000225725874 570017999 /nfs/dbraw/zinc/01/79/99/570017999.db2.gz BECCIRHYKHKRFF-UHFFFAOYSA-N -1 3 450.891 4.946 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3ccccc3)cc2)cc1 ZINC000408705822 570024811 /nfs/dbraw/zinc/02/48/11/570024811.db2.gz ODJWSQNAXYEXOE-UHFFFAOYSA-N -1 3 454.548 4.684 40 0 JJABHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc4c(c3)CCCN4C(=O)c3ccc(F)cc3)c2)n1 ZINC000226091909 570037106 /nfs/dbraw/zinc/03/71/06/570037106.db2.gz REBSJFFTAPCZNE-UHFFFAOYSA-N -1 3 482.515 4.730 40 0 JJABHM CCOC(=O)C1=C(C)NC(SCc2cccc(C(=O)[O-])c2)=N[C@@H]1c1ccc(OCC)cc1 ZINC000408873513 570060444 /nfs/dbraw/zinc/06/04/44/570060444.db2.gz VCTLKFOXEQLNJM-OAQYLSRUSA-N -1 3 454.548 4.554 40 0 JJABHM COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3Cl)cc2)cc1OC ZINC000408921007 570077158 /nfs/dbraw/zinc/07/71/58/570077158.db2.gz AZXSFMASWFUFLX-UHFFFAOYSA-N -1 3 495.384 4.993 40 0 JJABHM CCOc1cccc2c1OC(C)(C)[C@H]1C[C@H]3CN(Cc4ccc(C(=O)[O-])cc4)CC[C@@H]3O[C@H]21 ZINC000257204788 570109298 /nfs/dbraw/zinc/10/92/98/570109298.db2.gz AWHKFOPXPNYMMS-NRTAZHGZSA-N -1 3 451.563 4.923 40 0 JJABHM CC1(C)Oc2ccc(Cl)cc2[C@H]2O[C@H]3CCN(Cc4ccc(OCC(=O)[O-])cc4)C[C@@H]3C[C@@H]21 ZINC000257239624 570120041 /nfs/dbraw/zinc/12/00/41/570120041.db2.gz HQDQUPKNDRXVQD-AOOPRCNYSA-N -1 3 471.981 4.943 40 0 JJABHM COc1cc([C@H]2Nc3ccccc3-c3c(=O)[n-]c(SCc4ccccc4F)n[n+]32)cc(Cl)c1[O-] ZINC000261362428 570167516 /nfs/dbraw/zinc/16/75/16/570167516.db2.gz CYLBTQZXRMPJPU-QFIPXVFZSA-O -1 3 497.959 4.908 40 0 JJABHM O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)Nc1c(Cl)cccc1Cl ZINC000408543309 570192103 /nfs/dbraw/zinc/19/21/03/570192103.db2.gz NXAVAJNGIYYTIH-UHFFFAOYSA-N -1 3 474.167 4.977 40 0 JJABHM O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)Nc1c(Cl)cccc1Cl ZINC000408543309 570192101 /nfs/dbraw/zinc/19/21/01/570192101.db2.gz NXAVAJNGIYYTIH-UHFFFAOYSA-N -1 3 474.167 4.977 40 0 JJABHM Cc1ccc(-n2c(SCN3C(=O)c4ccccc4C3=O)nnc2-c2ccccc2[O-])c(C)c1 ZINC000408544187 570192371 /nfs/dbraw/zinc/19/23/71/570192371.db2.gz SRERWMWDGAVKHA-UHFFFAOYSA-N -1 3 456.527 4.603 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1Cl ZINC000408550201 570194865 /nfs/dbraw/zinc/19/48/65/570194865.db2.gz BHTZRHMRCVOXQT-UHFFFAOYSA-N -1 3 474.966 4.784 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)Nc1cccc(F)c1 ZINC000408555297 570196688 /nfs/dbraw/zinc/19/66/88/570196688.db2.gz AFCCKBPIPOUAAT-UHFFFAOYSA-N -1 3 468.428 4.663 40 0 JJABHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1NC(=O)c1cccc(Cl)c1 ZINC000408558533 570199075 /nfs/dbraw/zinc/19/90/75/570199075.db2.gz RUPZLQWTMMISAJ-UHFFFAOYSA-N -1 3 452.866 4.680 40 0 JJABHM CCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(OC)c(Cl)c3)cc2)cc1 ZINC000408562352 570201764 /nfs/dbraw/zinc/20/17/64/570201764.db2.gz ZFNVDCHPIWBJNF-UHFFFAOYSA-N -1 3 490.965 4.566 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)c(Cl)c2)cc1 ZINC000408584454 570207564 /nfs/dbraw/zinc/20/75/64/570207564.db2.gz PWGULUAUYAFQAI-KRWDZBQOSA-N -1 3 458.967 4.705 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000408585229 570207934 /nfs/dbraw/zinc/20/79/34/570207934.db2.gz XXRISSKYAVFPBZ-UHFFFAOYSA-N -1 3 479.385 4.798 40 0 JJABHM CC(=O)c1cccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000408587272 570208350 /nfs/dbraw/zinc/20/83/50/570208350.db2.gz BINWKUQPVNAIFT-NRFANRHFSA-N -1 3 491.396 4.724 40 0 JJABHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408593233 570209665 /nfs/dbraw/zinc/20/96/65/570209665.db2.gz PSWCZNNAMWVRAH-SFHVURJKSA-N -1 3 458.624 4.828 40 0 JJABHM COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1Cl ZINC000408593159 570209667 /nfs/dbraw/zinc/20/96/67/570209667.db2.gz MUCAIVFGJVYGEJ-UHFFFAOYSA-N -1 3 474.966 4.784 40 0 JJABHM O=C(NCCC1=CCCCC1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408593202 570209716 /nfs/dbraw/zinc/20/97/16/570209716.db2.gz LVNOSBPODIFHRP-NRFANRHFSA-N -1 3 481.445 4.890 40 0 JJABHM Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2C)cc1 ZINC000003100863 194225924 /nfs/dbraw/zinc/22/59/24/194225924.db2.gz JZOQRWQPLZBMRH-UHFFFAOYSA-N -1 3 458.605 4.830 40 0 JJABHM CC(C)(C)CC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000012481575 518615197 /nfs/dbraw/zinc/61/51/97/518615197.db2.gz LDCWVUSGYVNNPZ-PMACEKPBSA-N -1 3 497.602 4.593 40 0 biogenic,in-vitro JJABHM CCCNC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(Cl)c1 ZINC000022512905 519905158 /nfs/dbraw/zinc/90/51/58/519905158.db2.gz RKSCFPLHWZOUJR-UHFFFAOYSA-N -1 3 485.993 4.841 40 0 JJABHM CCCCNC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000020458347 520687287 /nfs/dbraw/zinc/68/72/87/520687287.db2.gz WJWFPVGLNQBYKK-UHFFFAOYSA-N -1 3 485.993 4.923 40 0 JJABHM CCCCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000016639040 520722598 /nfs/dbraw/zinc/72/25/98/520722598.db2.gz YLLMFRCBMBAQQY-UHFFFAOYSA-N -1 3 496.585 4.770 40 0 JJABHM COC(=O)c1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)ccc1Cl ZINC000020459872 521891258 /nfs/dbraw/zinc/89/12/58/521891258.db2.gz RVHZTFICJIAJEK-UHFFFAOYSA-N -1 3 479.341 4.833 40 0 JJABHM CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000022530493 522872361 /nfs/dbraw/zinc/87/23/61/522872361.db2.gz JMJVNSIEQPCAEA-DEOSSOPVSA-N -1 3 468.575 4.909 40 0 JJABHM Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1C ZINC000022536850 524329011 /nfs/dbraw/zinc/32/90/11/524329011.db2.gz SBULXJGPDRICLQ-HXUWFJFHSA-N -1 3 452.576 4.669 40 0 JJABHM C[C@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc(F)cc1 ZINC000022537045 524970069 /nfs/dbraw/zinc/97/00/69/524970069.db2.gz PMGYZOCEZJWJTD-HNNXBMFYSA-N -1 3 496.482 4.902 40 0 JJABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)cc1 ZINC000022536878 525272034 /nfs/dbraw/zinc/27/20/34/525272034.db2.gz CTDGIUCYGUIPAA-OAQYLSRUSA-N -1 3 466.603 4.977 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000022537344 525421277 /nfs/dbraw/zinc/42/12/77/525421277.db2.gz BUNWNTXVWSEEIL-MRXNPFEDSA-N -1 3 476.957 4.845 40 0 JJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCc3ccc(F)cc3)cc2Cl)cc1 ZINC000022526380 525599444 /nfs/dbraw/zinc/59/94/44/525599444.db2.gz SGXAWULYHXRLTL-UHFFFAOYSA-N -1 3 460.958 4.951 40 0 JJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc(-n4ccnc4)cc3)cc2Cl)cc1 ZINC000020460434 525601332 /nfs/dbraw/zinc/60/13/32/525601332.db2.gz JBUAWHGFDXESIA-UHFFFAOYSA-N -1 3 480.977 4.565 40 0 JJABHM Cc1ccc(SCCNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000038771814 525659554 /nfs/dbraw/zinc/65/95/54/525659554.db2.gz LCPAHVJITUWMSY-UHFFFAOYSA-N -1 3 461.008 4.971 40 0 JJABHM COc1cccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c1 ZINC000020452797 526238177 /nfs/dbraw/zinc/23/81/77/526238177.db2.gz UECZTLVWIDRVAM-SFHVURJKSA-N -1 3 454.548 4.519 40 0 JJABHM Cc1ccc(C([O-])=C2[C@@H](c3cccc(Oc4ccccc4)c3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000016183303 526240784 /nfs/dbraw/zinc/24/07/84/526240784.db2.gz BQDRPRMARQFALJ-LGVFNWMJSA-N -1 3 470.447 4.891 40 0 JJABHM Cc1nccn1-c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)cc1 ZINC000044843539 527372233 /nfs/dbraw/zinc/37/22/33/527372233.db2.gz KPMXYZCNOBAUFI-UHFFFAOYSA-N -1 3 488.613 4.837 40 0 JJABHM Cc1nccn1-c1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 ZINC000020460707 527374454 /nfs/dbraw/zinc/37/44/54/527374454.db2.gz RAVGKVJYNHIIQT-UHFFFAOYSA-N -1 3 474.586 4.528 40 0 JJABHM CCn1c(SCC(=O)Nc2nc3c(s2)CCCC3)nnc1-c1cc2ccccc2cc1[O-] ZINC000000896796 553832806 /nfs/dbraw/zinc/83/28/06/553832806.db2.gz IJLMMZOFDJAQRX-UHFFFAOYSA-N -1 3 465.604 4.890 40 0 JJABHM CCN(C(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C)c1ccc([C@]([O-])(C(=O)OC)C(F)(F)F)cc1 ZINC000006512420 554548619 /nfs/dbraw/zinc/54/86/19/554548619.db2.gz TZRYRQSCPXRUSR-OHNRDTAOSA-N -1 3 468.299 4.554 40 0 JJABHM CCc1ccc2oc(-c3cc(NC(=S)NC(=O)COc4ccccc4C)ccc3[O-])nc2c1 ZINC000009064926 554884371 /nfs/dbraw/zinc/88/43/71/554884371.db2.gz YUDXJNZKHYFBRG-UHFFFAOYSA-N -1 3 461.543 4.963 40 0 JJABHM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccc(Cl)cc3)cc2)c(C)c1 ZINC000009694976 555425178 /nfs/dbraw/zinc/42/51/78/555425178.db2.gz XEVKIODKBJFHGQ-UHFFFAOYSA-N -1 3 464.996 4.700 40 0 JJABHM O=C(N1CCC(Nc2nc3c(c(=O)[n-]2)CCC3)CC1)N1c2ccccc2Sc2ccccc21 ZINC000013564757 555499845 /nfs/dbraw/zinc/49/98/45/555499845.db2.gz PCDLMLHVPCBCLA-UHFFFAOYSA-N -1 3 459.575 4.558 40 0 JJABHM O=S(=O)([N-]Cc1ccc(OCc2ccc(F)cc2)cc1)c1ccc(Br)s1 ZINC000013648569 555552898 /nfs/dbraw/zinc/55/28/98/555552898.db2.gz UUYAXMZSQQQKCO-UHFFFAOYSA-N -1 3 456.358 4.707 40 0 JJABHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)Nc1cccc(SC)c1 ZINC000020009802 555585460 /nfs/dbraw/zinc/58/54/60/555585460.db2.gz ZGHMTBAIXWDLNZ-HXUWFJFHSA-N -1 3 491.034 4.599 40 0 JJABHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc(Br)c2)cc1 ZINC000013713302 555590925 /nfs/dbraw/zinc/59/09/25/555590925.db2.gz PWHWIYMQADEYQQ-VJBWXMMDSA-N -1 3 493.357 4.899 40 0 JJABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H]3CCCc4ccccc43)cc2)c1 ZINC000020020149 555596670 /nfs/dbraw/zinc/59/66/70/555596670.db2.gz WAGRGTDRKPZZPV-DEOSSOPVSA-N -1 3 464.587 4.677 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)Nc1ccc(F)c(F)c1F ZINC000020020450 555597220 /nfs/dbraw/zinc/59/72/20/555597220.db2.gz KRUYDSSEBGYHQN-UHFFFAOYSA-N -1 3 470.856 4.576 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc2)cc1 ZINC000020020403 555597251 /nfs/dbraw/zinc/59/72/51/555597251.db2.gz YHHCYPLIZRVXKD-UHFFFAOYSA-N -1 3 498.454 4.671 40 0 JJABHM C[C@@H](NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc(Cl)cc1 ZINC000020020660 555597603 /nfs/dbraw/zinc/59/76/03/555597603.db2.gz PIFNFDOUUGKPST-OAHLLOKOSA-N -1 3 462.930 4.536 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(F)c(F)c3F)cc2)cc1Cl ZINC000020021098 555598203 /nfs/dbraw/zinc/59/82/03/555598203.db2.gz BDEZARQDDFDRGG-UHFFFAOYSA-N -1 3 484.883 4.884 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000020022298 555599579 /nfs/dbraw/zinc/59/95/79/555599579.db2.gz NPEHEHZQYQBGQU-QGZVFWFLSA-N -1 3 458.967 4.705 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OCC(=O)N[C@H]1CCCc2ccccc21 ZINC000020022459 555599884 /nfs/dbraw/zinc/59/98/84/555599884.db2.gz DCUCECIIUMVPDN-QHCPKHFHSA-N -1 3 468.550 4.508 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(F)ccc3C)c(C)c2)cc1 ZINC000020022549 555600372 /nfs/dbraw/zinc/60/03/72/555600372.db2.gz LOFPJNLZFHUCOX-UHFFFAOYSA-N -1 3 472.538 4.660 40 0 JJABHM COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1OC ZINC000020049340 555618814 /nfs/dbraw/zinc/61/88/14/555618814.db2.gz XCIUQPJKUNKMOM-OAHLLOKOSA-N -1 3 490.578 4.763 40 0 JJABHM COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000014006535 555668527 /nfs/dbraw/zinc/66/85/27/555668527.db2.gz VHRCDMYAUDDIRH-SFHVURJKSA-N -1 3 454.548 4.519 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)cc1 ZINC000014006998 555668537 /nfs/dbraw/zinc/66/85/37/555668537.db2.gz DLJVASSDYGWXQL-MRXNPFEDSA-N -1 3 474.966 4.946 40 0 JJABHM COc1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000014006534 555668617 /nfs/dbraw/zinc/66/86/17/555668617.db2.gz VHRCDMYAUDDIRH-GOSISDBHSA-N -1 3 454.548 4.519 40 0 JJABHM O=C(CSc1n[n-]c(COc2ccccc2F)n1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000014152631 555708269 /nfs/dbraw/zinc/70/82/69/555708269.db2.gz FLGXZQLOFOBPLP-UHFFFAOYSA-N -1 3 460.840 4.926 40 0 JJABHM O=C(NC(=S)Nc1ccc([O-])c(-c2nc3cc(Cl)ccc3o2)c1)c1ccc2c(c1)OCCO2 ZINC000014275204 555780147 /nfs/dbraw/zinc/78/01/47/555780147.db2.gz KPQNMLKLOKRNBR-UHFFFAOYSA-N -1 3 481.917 4.752 40 0 JJABHM COC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000011666688 555797076 /nfs/dbraw/zinc/79/70/76/555797076.db2.gz BHDBMIZMDLRZTN-FKBYEOEOSA-N -1 3 497.334 4.831 40 0 JJABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(Br)cc2)cc1 ZINC000011666676 555797204 /nfs/dbraw/zinc/79/72/04/555797204.db2.gz DZYCNEOIDRKCLN-FKBYEOEOSA-N -1 3 463.331 4.809 40 0 JJABHM CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000014398342 555804286 /nfs/dbraw/zinc/80/42/86/555804286.db2.gz DNMAVSQKUCAMOK-XMMPIXPASA-N -1 3 468.575 4.909 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(OC)cc3)cc2)cc1 ZINC000015438940 555908708 /nfs/dbraw/zinc/90/87/08/555908708.db2.gz JQTVQJSQVHMETE-UHFFFAOYSA-N -1 3 484.574 4.692 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(OCC)c(OCC)c3)cc2)cc1 ZINC000015438984 555909104 /nfs/dbraw/zinc/90/91/04/555909104.db2.gz CFIHXSSPDDZQJE-UHFFFAOYSA-N -1 3 484.574 4.936 40 0 JJABHM Cc1cccc(C(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4ccc(Cl)cc4Cl)c(=O)[n-]3)C2)c1 ZINC000013083672 556280714 /nfs/dbraw/zinc/28/07/14/556280714.db2.gz BZMBXVQKNGREPG-QGZVFWFLSA-N -1 3 497.386 4.610 40 0 JJABHM CCCCCCC(=O)N1CCC[C@@H](c2nc3c(nnn3Cc3ccc(Cl)cc3Cl)c(=O)[n-]2)C1 ZINC000013083659 556280738 /nfs/dbraw/zinc/28/07/38/556280738.db2.gz DBYVKIXGTZMDIS-MRXNPFEDSA-N -1 3 491.423 4.958 40 0 JJABHM CCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1OCC ZINC000030847322 556375757 /nfs/dbraw/zinc/37/57/57/556375757.db2.gz AVPBKPPEYJKNOC-UHFFFAOYSA-N -1 3 486.565 4.995 40 0 JJABHM COc1ccc(CNC(=O)C[C@@H]2C[C@@H](C(C)C)[C@H](C[N-]S(=O)(=O)c3cccs3)C=C2C)cc1 ZINC000030880582 556386464 /nfs/dbraw/zinc/38/64/64/556386464.db2.gz VCHGJXCRRBVVMQ-FUDKSRODSA-N -1 3 490.691 4.596 40 0 biogenic,in-vitro JJABHM CC(=O)Nc1nc2ccc(-c3cnc(Cl)c([N-]S(=O)(=O)c4ccc(F)cc4)c3)cc2s1 ZINC000064744203 569625226 /nfs/dbraw/zinc/62/52/26/569625226.db2.gz YGBMCLDVRUGXOV-UHFFFAOYSA-N -1 3 476.942 4.910 40 0 in-vitro JJABHM CCCCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2)cc1 ZINC000033562203 569627901 /nfs/dbraw/zinc/62/79/01/569627901.db2.gz SCFVFOLRZSTVRO-UHFFFAOYSA-N -1 3 468.575 4.856 40 0 JJABHM CSc1cccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2C)c1 ZINC000033733996 569632664 /nfs/dbraw/zinc/63/26/64/569632664.db2.gz KUBWVVGEKVZLSG-UHFFFAOYSA-N -1 3 456.589 4.844 40 0 JJABHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2Br)cc1 ZINC000035147691 569676215 /nfs/dbraw/zinc/67/62/15/569676215.db2.gz HIKODEVYMYTWPZ-UHFFFAOYSA-N -1 3 475.364 4.576 40 0 JJABHM CCc1cccc(CC)c1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000035377628 569685255 /nfs/dbraw/zinc/68/52/55/569685255.db2.gz KWHHEVAFENKHGU-UHFFFAOYSA-N -1 3 468.575 4.638 40 0 JJABHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc(Br)c2)[C@@H]3c2ccc(C)cc2)c1 ZINC000100222322 569755767 /nfs/dbraw/zinc/75/57/67/569755767.db2.gz VSXXGGUJNSHFKH-ZLNRFVROSA-N -1 3 493.357 4.817 40 0 JJABHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc(SC)cc2)cc1 ZINC000100577952 569765162 /nfs/dbraw/zinc/76/51/62/569765162.db2.gz NCVJUURNGMHNGL-VXNXHJTFSA-N -1 3 460.555 4.858 40 0 JJABHM COC(=O)c1c(C)c(C)sc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccc(Cl)cc1)[C@H]2c1ccccc1 ZINC000100766558 569769225 /nfs/dbraw/zinc/76/92/25/569769225.db2.gz QRLPNUQHXAAXTP-HKBOAZHASA-N -1 3 496.972 4.856 40 0 JJABHM CCOC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccc(Cl)cc2)[C@@H]3c2cccs2)cc1 ZINC000100799293 569770498 /nfs/dbraw/zinc/77/04/98/569770498.db2.gz PKKVEPJHYSGKOU-HBMCJLEFSA-N -1 3 482.945 4.629 40 0 JJABHM COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000101151106 569784794 /nfs/dbraw/zinc/78/47/94/569784794.db2.gz RMYQZKPQVRPYLQ-SGNDLWITSA-N -1 3 478.932 4.717 40 0 JJABHM CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000101180027 569786262 /nfs/dbraw/zinc/78/62/62/569786262.db2.gz ROGZTUDBUVLFII-DSITVLBTSA-N -1 3 476.504 4.674 40 0 JJABHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)c(Br)c2)cc1 ZINC000101180419 569786335 /nfs/dbraw/zinc/78/63/35/569786335.db2.gz AGYOFJYQOBMALH-FKBYEOEOSA-N -1 3 481.321 4.948 40 0 JJABHM COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(F)c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102707647 569816743 /nfs/dbraw/zinc/81/67/43/569816743.db2.gz PCGMEDOSPGFPJK-BHIFYINESA-N -1 3 452.869 4.539 40 0 JJABHM COc1cccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C([O-])=C3ON2c2ccccc2)c1 ZINC000102721595 569817253 /nfs/dbraw/zinc/81/72/53/569817253.db2.gz ODNYNGYVSPLJMG-UODIDJSMSA-N -1 3 450.494 4.900 40 0 JJABHM COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000102726169 569817828 /nfs/dbraw/zinc/81/78/28/569817828.db2.gz FXRVZIUSXVMWPB-BHIFYINESA-N -1 3 485.323 4.759 40 0 JJABHM O=C(Nc1ccc(Cl)cc1)C1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[n-]c(=O)c21 ZINC000040399548 569826764 /nfs/dbraw/zinc/82/67/64/569826764.db2.gz NXVVNQRDXUCYQE-LBPRGKRZSA-N -1 3 478.723 4.538 40 0 JJABHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000107659536 569856896 /nfs/dbraw/zinc/85/68/96/569856896.db2.gz NTYIBXJWWXSMNN-KRWDZBQOSA-N -1 3 477.413 4.889 40 0 JJABHM COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccccc2C)c(OC)c1 ZINC000136120259 569864551 /nfs/dbraw/zinc/86/45/51/569864551.db2.gz OUCXTBPREUSLHD-KMDXXIMOSA-N -1 3 478.932 4.717 40 0 JJABHM CCOC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)c1C ZINC000216408685 569878658 /nfs/dbraw/zinc/87/86/58/569878658.db2.gz NHRJBIIGMMUCQE-UHFFFAOYSA-N -1 3 472.950 4.878 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)NCc1cccc2ccccc21 ZINC000222700703 569888957 /nfs/dbraw/zinc/88/89/57/569888957.db2.gz HTLFBYUZQNLFJK-UHFFFAOYSA-N -1 3 480.973 4.989 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3cccc4ccccc43)c(C)c2)cc1 ZINC000222762377 569890492 /nfs/dbraw/zinc/89/04/92/569890492.db2.gz GJXVWHDWNVNTPC-UHFFFAOYSA-N -1 3 474.582 4.953 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)N(C)c1ccc(F)cc1 ZINC000222802067 569891430 /nfs/dbraw/zinc/89/14/30/569891430.db2.gz NYPUNCVTCKAJMT-UHFFFAOYSA-N -1 3 462.930 4.630 40 0 JJABHM CC[C@H]([N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)c1ccccc1 ZINC000224284932 569939326 /nfs/dbraw/zinc/93/93/26/569939326.db2.gz IRXQYHIXNFQJBS-HNNXBMFYSA-N -1 3 471.391 4.527 40 0 JJABHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)c(C)c1 ZINC000224773896 569957003 /nfs/dbraw/zinc/95/70/03/569957003.db2.gz HYMIGAHAXTVVKK-GFCCVEGCSA-N -1 3 485.418 4.754 40 0 JJABHM COCCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2[O-])c1C ZINC000224867475 569960906 /nfs/dbraw/zinc/96/09/06/569960906.db2.gz XQSWSFPVROHHLC-YADHBBJMSA-N -1 3 456.999 4.682 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1Cl ZINC000408593925 569965234 /nfs/dbraw/zinc/96/52/34/569965234.db2.gz QQIQMXPHITUHTI-QGZVFWFLSA-N -1 3 458.967 4.705 40 0 JJABHM Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000408594966 569965823 /nfs/dbraw/zinc/96/58/23/569965823.db2.gz QBZIDQCNWAMTIO-HXUWFJFHSA-N -1 3 463.386 4.830 40 0 JJABHM CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1OCC ZINC000225061519 569972693 /nfs/dbraw/zinc/97/26/93/569972693.db2.gz HYZYULBZNVTDNJ-UHFFFAOYSA-N -1 3 458.511 4.676 40 0 JJABHM CC(C)CSc1nnc([N-]C(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)s1 ZINC000225105294 569975296 /nfs/dbraw/zinc/97/52/96/569975296.db2.gz MWUSLGWCWUVDTK-UHFFFAOYSA-N -1 3 489.088 4.613 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)cc1 ZINC000408625673 569980345 /nfs/dbraw/zinc/98/03/45/569980345.db2.gz TXQZLBVRAVHMGH-UHFFFAOYSA-N -1 3 474.966 4.865 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(OC)c3)c(Cl)c2)cc1 ZINC000408636870 569987116 /nfs/dbraw/zinc/98/71/16/569987116.db2.gz VGDXTXGFTHSVBD-UHFFFAOYSA-N -1 3 490.965 4.566 40 0 JJABHM Cc1ccc([O-])c(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 ZINC000408648026 569992613 /nfs/dbraw/zinc/99/26/13/569992613.db2.gz CBUFGIWKDAKPJY-AGYDLCDTSA-N -1 3 450.321 4.798 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cl)cc3C)c(C)c2)cc1 ZINC000408674832 570009468 /nfs/dbraw/zinc/00/94/68/570009468.db2.gz JGEQHGWNVRZRBO-UHFFFAOYSA-N -1 3 474.966 4.784 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)CCc3ccccc3)c(C)c2)cc1 ZINC000408674818 570009534 /nfs/dbraw/zinc/00/95/34/570009534.db2.gz IRXYEWIUWNRFCB-OAQYLSRUSA-N -1 3 496.629 4.711 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(Cl)c3)c(C)c2)cc1 ZINC000408674820 570009583 /nfs/dbraw/zinc/00/95/83/570009583.db2.gz ITVZJGMLIAKWFN-UHFFFAOYSA-N -1 3 474.966 4.865 40 0 JJABHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)CCc3ccccc3)c(C)c2)cc1C ZINC000408674825 570009597 /nfs/dbraw/zinc/00/95/97/570009597.db2.gz IWMPKSHZRUXILL-QFIPXVFZSA-N -1 3 480.630 4.929 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3SC)c(C)c2)cc1 ZINC000408675279 570010114 /nfs/dbraw/zinc/01/01/14/570010114.db2.gz UUAHURBUYCXYGV-UHFFFAOYSA-N -1 3 486.615 4.934 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)NC1CCCCCC1 ZINC000408675334 570010164 /nfs/dbraw/zinc/01/01/64/570010164.db2.gz HQNWCCIZFPKVOY-UHFFFAOYSA-N -1 3 450.988 4.667 40 0 JJABHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccccc3OCC)c(C)c2)cc1 ZINC000408675451 570010310 /nfs/dbraw/zinc/01/03/10/570010310.db2.gz ZTELEZYGMFCLGR-UHFFFAOYSA-N -1 3 484.574 4.611 40 0 JJABHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)NCc1ccc(Cl)cc1Cl ZINC000408675784 570010424 /nfs/dbraw/zinc/01/04/24/570010424.db2.gz KLOKFQRULNHZRZ-UHFFFAOYSA-N -1 3 479.385 4.798 40 0 JJABHM COc1ccc(C)cc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C ZINC000408678502 570011371 /nfs/dbraw/zinc/01/13/71/570011371.db2.gz SJHJTSMCPBWFTP-UHFFFAOYSA-N -1 3 474.966 4.784 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(C(C)C)cc3)c(C)c2)cc1 ZINC000408680497 570012318 /nfs/dbraw/zinc/01/23/18/570012318.db2.gz ZLSMSAFLSYNENH-UHFFFAOYSA-N -1 3 468.575 4.945 40 0 JJABHM COc1cccc(C([O-])=C(CC(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000408686579 570014055 /nfs/dbraw/zinc/01/40/55/570014055.db2.gz RZIFMEQPJQHLAC-QHCPKHFHSA-N -1 3 456.947 4.955 40 0 JJABHM CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000408694064 570016676 /nfs/dbraw/zinc/01/66/76/570016676.db2.gz AHMCUKUEVWVXAN-OAQYLSRUSA-N -1 3 454.548 4.601 40 0 JJABHM COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)cc(I)c1OC ZINC000408734554 570029835 /nfs/dbraw/zinc/02/98/35/570029835.db2.gz HYDPAWDSSIQKAK-UHFFFAOYSA-N -1 3 468.316 4.565 40 0 JJABHM CCOC(=O)C1=C(C)NC(SCc2cccc(C(=O)[O-])c2)=N[C@@H]1c1ccc(SC)cc1 ZINC000408882404 570063306 /nfs/dbraw/zinc/06/33/06/570063306.db2.gz PTWRBHUFVICBQX-HXUWFJFHSA-N -1 3 456.589 4.878 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3ccccc3C)cc2)cc1 ZINC000408925170 570078341 /nfs/dbraw/zinc/07/83/41/570078341.db2.gz KQNIPMWVEOLMSM-UHFFFAOYSA-N -1 3 456.589 4.676 40 0 JJABHM CCOc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc(I)c1[O-] ZINC000409006781 570098283 /nfs/dbraw/zinc/09/82/83/570098283.db2.gz LSWQAXHXDJLUOS-ATVHPVEESA-N -1 3 495.338 4.675 40 0 JJABHM O=C1S/C(=C\c2ccc([O-])c(I)c2)C(=O)N1c1ccccc1Cl ZINC000409069315 570117729 /nfs/dbraw/zinc/11/77/29/570117729.db2.gz MKJHYEJSCBDGKL-ZSOIEALJSA-N -1 3 457.676 4.891 40 0 JJABHM COc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc(I)c1[O-] ZINC000409094293 570126057 /nfs/dbraw/zinc/12/60/57/570126057.db2.gz DLBNMPVRAXZACX-WCIBSUBMSA-N -1 3 461.177 4.517 40 0 JJABHM CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc(Br)c1[O-] ZINC000409152574 570149543 /nfs/dbraw/zinc/14/95/43/570149543.db2.gz JMLBALVDXYPNSV-LICLKQGHSA-N -1 3 491.363 4.537 40 0 JJABHM O=c1[n-]c(SCc2ccccc2)n[n+]2c1-c1ccccc1N[C@H]2c1ccc([O-])c(Br)c1 ZINC000261361570 570167257 /nfs/dbraw/zinc/16/72/57/570167257.db2.gz AAGFLXCSOKBEII-OAQYLSRUSA-O -1 3 494.394 4.870 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000408536427 570190432 /nfs/dbraw/zinc/19/04/32/570190432.db2.gz ZJRRRHIQQYUNJY-UHFFFAOYSA-N -1 3 468.428 4.663 40 0 JJABHM Cn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1cc(Br)ccc1[O-] ZINC000408541590 570191621 /nfs/dbraw/zinc/19/16/21/570191621.db2.gz DILRXPVNKFVQPM-UHFFFAOYSA-N -1 3 469.364 4.834 40 0 JJABHM Cn1c(SCC(=O)Nc2ccc(C(F)F)cc2)nnc1-c1cc(Br)ccc1[O-] ZINC000408545449 570192789 /nfs/dbraw/zinc/19/27/89/570192789.db2.gz YVYFTYSUACQCFC-UHFFFAOYSA-N -1 3 469.311 4.619 40 0 JJABHM Cc1cc(C)cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c1 ZINC000408550438 570194988 /nfs/dbraw/zinc/19/49/88/570194988.db2.gz BZBQDKWMAHSQQI-UHFFFAOYSA-N -1 3 489.391 4.884 40 0 JJABHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)Nc1ccccc1Cl ZINC000408552274 570195560 /nfs/dbraw/zinc/19/55/60/570195560.db2.gz LACJPHMTHXRVBW-UHFFFAOYSA-N -1 3 495.782 4.921 40 0 JJABHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCC3=CCCCC3)cc2)cc1Cl ZINC000408554840 570196465 /nfs/dbraw/zinc/19/64/65/570196465.db2.gz UUSOFVJBQVAGCL-UHFFFAOYSA-N -1 3 478.998 4.535 40 0 JJABHM Cc1ccccc1NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000408556003 570197168 /nfs/dbraw/zinc/19/71/68/570197168.db2.gz YOVSLXLIFQTYJI-UHFFFAOYSA-N -1 3 475.364 4.576 40 0 JJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1C(=O)NC1CCCCC1 ZINC000408559529 570199912 /nfs/dbraw/zinc/19/99/12/570199912.db2.gz XQMODIGYFMHTKP-UHFFFAOYSA-N -1 3 469.376 4.760 40 0 JJABHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cc1NC(=O)c1ccccc1F ZINC000408562411 570201732 /nfs/dbraw/zinc/20/17/32/570201732.db2.gz ZPYFVWAONFYLAY-UHFFFAOYSA-N -1 3 478.929 4.940 40 0 JJABHM CCc1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2Cl)cc1 ZINC000408562498 570201848 /nfs/dbraw/zinc/20/18/48/570201848.db2.gz QHLNAOSUKKAMFD-UHFFFAOYSA-N -1 3 462.930 4.860 40 0 JJABHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)CCc3ccccc3)cc2)c1 ZINC000408582895 570207130 /nfs/dbraw/zinc/20/71/30/570207130.db2.gz FSNDZDPFRQSXEN-OAQYLSRUSA-N -1 3 466.603 4.621 40 0 JJABHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1C(=O)NCC(C)C ZINC000408591713 570209334 /nfs/dbraw/zinc/20/93/34/570209334.db2.gz JZSGNOJLMPFJOI-UHFFFAOYSA-N -1 3 452.576 4.761 40 0 JJABHM C[C@@H](NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000408592306 570209469 /nfs/dbraw/zinc/20/94/69/570209469.db2.gz JXQYGUYOSJURQM-IERDGZPVSA-N -1 3 477.413 4.760 40 0 JJABHM