smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)cc1 ZINC000000994722 193999478 /nfs/dbraw/zinc/99/94/78/193999478.db2.gz NMZNHLRSWSBPHQ-UHFFFAOYSA-N -1 0 479.945 4.632 50 0 JJAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)n1 ZINC000001033582 194006501 /nfs/dbraw/zinc/00/65/01/194006501.db2.gz ASMNIDORQILGQG-UHFFFAOYSA-N -1 0 465.457 4.557 50 0 JJAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccc(C(C)(C)C)cc3)cc2)n1 ZINC000001033573 194006596 /nfs/dbraw/zinc/00/65/96/194006596.db2.gz XIXWWOMMVVEKSM-UHFFFAOYSA-N -1 0 453.568 4.836 50 0 JJAARM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)o1 ZINC000001053741 194011005 /nfs/dbraw/zinc/01/10/05/194011005.db2.gz ZNFDCAHAOQNVGS-YBFXNURJSA-N -1 0 481.302 4.809 50 0 JJAARM COC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000001072775 194016619 /nfs/dbraw/zinc/01/66/19/194016619.db2.gz VWYHVHCGMNKYCF-UHFFFAOYSA-N -1 0 472.950 4.797 50 0 JJAARM CCC(C)(C)[C@@H]1CCc2c(sc([N-]S(=O)(=O)c3ccc(OC)cc3)c2C(=O)OC)C1 ZINC000001200754 194068663 /nfs/dbraw/zinc/06/86/63/194068663.db2.gz QYNTXYPOIKQCIB-CQSZACIVSA-N -1 0 451.610 4.885 50 0 JJAARM COc1ccc(-n2c(SCC(=O)c3ccccc3)nc([O-])c(Cc3ccccc3)c2=O)cc1 ZINC000001203201 194069102 /nfs/dbraw/zinc/06/91/02/194069102.db2.gz JMVMIYHQKLFWDQ-UHFFFAOYSA-N -1 0 458.539 4.513 50 0 JJAARM COc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cccs4)=NN32)c(C(=O)[O-])c1OC ZINC000001321618 194084693 /nfs/dbraw/zinc/08/46/93/194084693.db2.gz FEHHUPDAJQUCPH-HJPURHCSSA-N -1 0 466.515 4.714 50 0 biogenic JJAARM CC[C@@H](Sc1nc2ccsc2c(=O)n1CCCCCC(=O)[O-])C(=O)Nc1ccc(C)cc1 ZINC000002932560 194173674 /nfs/dbraw/zinc/17/36/74/194173674.db2.gz FUWPEIPDWHAHKA-GOSISDBHSA-N -1 0 473.620 4.921 50 0 JJAARM CC[C@H](Sc1nc2ccsc2c(=O)n1CCCCCC(=O)[O-])C(=O)Nc1ccc(C)cc1 ZINC000002932558 194173699 /nfs/dbraw/zinc/17/36/99/194173699.db2.gz FUWPEIPDWHAHKA-SFHVURJKSA-N -1 0 473.620 4.921 50 0 JJAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccccc1)c1ccc(Br)cc1 ZINC000003169438 194233699 /nfs/dbraw/zinc/23/36/99/194233699.db2.gz SXMIOBULHSKQQJ-UHFFFAOYSA-N -1 0 455.337 4.937 50 0 JJAARM Cc1ccc(C)c(-n2c(SCC(=O)N[C@@H](C(=O)[O-])C(C)C)nnc2-c2cccc(Cl)c2)c1 ZINC000003277398 194260728 /nfs/dbraw/zinc/26/07/28/194260728.db2.gz JFWJDYXKMJMTTC-HXUWFJFHSA-N -1 0 472.998 4.522 50 0 JJAARM COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1Cl ZINC000003283127 194263051 /nfs/dbraw/zinc/26/30/51/194263051.db2.gz HOBVQKILRISOEY-UHFFFAOYSA-N -1 0 498.948 4.607 50 0 JJAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCc4ccccc4C3)ccc2Cl)cc1 ZINC000003345320 194292568 /nfs/dbraw/zinc/29/25/68/194292568.db2.gz BWQGHNWLPIBSMC-UHFFFAOYSA-N -1 0 470.978 4.738 50 0 JJAARM COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)NCc3ccccc3)ccc2Cl)cc1Cl ZINC000003353159 194296897 /nfs/dbraw/zinc/29/68/97/194296897.db2.gz GSKXTRLGZNSIHD-UHFFFAOYSA-N -1 0 495.384 4.741 50 0 JJAARM Cc1ccc(Sc2ccc(NC(=O)Cn3nc(C(=O)[O-])c4ccccc4c3=O)cc2)c(C)c1 ZINC000003415934 194316999 /nfs/dbraw/zinc/31/69/99/194316999.db2.gz OXVSDZKCDKPLQI-UHFFFAOYSA-N -1 0 459.527 4.501 50 0 JJAARM CCOCCCn1c(SCC(=O)Nc2cc(C(=O)[O-])ccc2C)nnc1-c1ccc(Cl)cc1 ZINC000003448054 194327917 /nfs/dbraw/zinc/32/79/17/194327917.db2.gz LCTCVULIALSSSK-UHFFFAOYSA-N -1 0 488.997 4.763 50 0 JJAARM Cc1sc(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])c(C(=O)OC(C)C)c1-c1ccc(Cl)cc1 ZINC000004199814 194384344 /nfs/dbraw/zinc/38/43/44/194384344.db2.gz QUUZKMCHPWALIS-FZCLSBEQSA-N -1 0 477.966 4.759 50 0 JJAARM CCOc1ccc(N2C(=O)C(=Cc3ccccc3OCc3ccc(C(=O)[O-])cc3)NC2=S)cc1 ZINC000004470681 194390578 /nfs/dbraw/zinc/39/05/78/194390578.db2.gz FHXGQLKYGFXACI-PXLXIMEGSA-N -1 0 474.538 4.625 50 0 JJAARM Cc1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)ccc1Br ZINC000004732552 194393994 /nfs/dbraw/zinc/39/39/94/194393994.db2.gz JHFFNBNWBXQYCM-UHFFFAOYSA-N -1 0 451.367 4.872 50 0 JJAARM COc1cccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(OC)c(OC)c2C(=O)[O-])c1 ZINC000009033375 194507614 /nfs/dbraw/zinc/50/76/14/194507614.db2.gz RDCLOEQUFWXZFR-FQRUVTKNSA-N -1 0 490.512 4.662 50 0 biogenic JJAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]12 ZINC000009860967 195001574 /nfs/dbraw/zinc/00/15/74/195001574.db2.gz LEPDSAHNOZDVCS-IYZJKTGWSA-N -1 0 464.304 4.629 50 0 JJAARM CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(Cl)c2)C1=O ZINC000009892621 195016345 /nfs/dbraw/zinc/01/63/45/195016345.db2.gz OPYLFLYUKYYUQR-OTGIAGGSSA-N -1 0 489.933 4.605 50 0 JJAARM CCOc1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3OC)c2)ccc1OC(F)F ZINC000009957332 195037151 /nfs/dbraw/zinc/03/71/51/195037151.db2.gz IZTDQLYHCCKQEU-UHFFFAOYSA-N -1 0 492.500 4.748 50 0 JJAARM C[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@@H](C)C1 ZINC000012649134 195075303 /nfs/dbraw/zinc/07/53/03/195075303.db2.gz LWJAPNNQCBUQII-CABCVRRESA-N -1 0 499.416 4.598 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4oc(C)nc4c3)ccc2Cl)cc1 ZINC000012790488 195131491 /nfs/dbraw/zinc/13/14/91/195131491.db2.gz MECINBUNTFIAIN-UHFFFAOYSA-N -1 0 471.922 4.851 50 0 JJAARM Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C(=O)N32)cc1 ZINC000012881427 195168610 /nfs/dbraw/zinc/16/86/10/195168610.db2.gz XIUGZXJROXWGBA-UPVQGACJSA-N -1 0 451.482 4.657 50 0 biogenic JJAARM Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000020722259 195206725 /nfs/dbraw/zinc/20/67/25/195206725.db2.gz LKJDENJWGZFQCP-SFHVURJKSA-N -1 0 489.475 4.924 50 0 JJAARM CCOc1cc2c(cc1OCC)[C@H](CC(=O)[O-])N(C(=O)Nc1ccc(Br)cc1)CC2 ZINC000021044380 195271273 /nfs/dbraw/zinc/27/12/73/195271273.db2.gz KWOJWIYWXICVEV-SFHVURJKSA-N -1 0 477.355 4.853 50 0 JJAARM Cc1ccccc1S(=O)(=O)[N-]c1cc2c(cc1Sc1ccc(Cl)cc1)n(C)c(=O)n2C ZINC000064580874 195445739 /nfs/dbraw/zinc/44/57/39/195445739.db2.gz NCNUIMHYQYMOKN-UHFFFAOYSA-N -1 0 474.007 4.791 50 0 JJAARM C/C(=C/C(=O)Nc1ccc(S[C@H](C(=O)Nc2nccs2)c2ccccc2)cc1)C(=O)[O-] ZINC000013579367 518412801 /nfs/dbraw/zinc/41/28/01/518412801.db2.gz WXPIKZJQSQJDFL-QQBSYFJQSA-N -1 0 453.545 4.585 50 0 JJAARM CC(=O)c1cccc([N-]S(=O)(=O)c2c3oc(C(=O)N4CCCC4)c(C)c3cc(C)c2C)c1 ZINC000065010498 518446387 /nfs/dbraw/zinc/44/63/87/518446387.db2.gz OUTKREPTSDFXAQ-UHFFFAOYSA-N -1 0 454.548 4.597 50 0 JJAARM CC(C)Cc1ccc([C@@H](C)NC(=O)COC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])cc1 ZINC000016050408 519444809 /nfs/dbraw/zinc/44/48/09/519444809.db2.gz DVOZYGXWOFZZTM-MRXNPFEDSA-N -1 0 489.494 4.829 50 0 JJAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)cc1 ZINC000002754614 519679321 /nfs/dbraw/zinc/67/93/21/519679321.db2.gz POZWADIGIIYFAU-UHFFFAOYSA-N -1 0 479.945 4.632 50 0 JJAARM CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)s1 ZINC000033306455 519702434 /nfs/dbraw/zinc/70/24/34/519702434.db2.gz ZBTSMGLEZQIHJK-VQHVLOKHSA-N -1 0 471.482 4.993 50 0 JJAARM CC(C)NC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cn2)cc1 ZINC000033139456 519717696 /nfs/dbraw/zinc/71/76/96/519717696.db2.gz SLIPCFMNARMFTE-UHFFFAOYSA-N -1 0 490.379 4.575 50 0 JJAARM CCCCC(=O)Nc1ccc2nc(N3CCN(Cc4ccccc4F)CC3)cc(C(=O)[O-])c2c1 ZINC000033260693 519915165 /nfs/dbraw/zinc/91/51/65/519915165.db2.gz NWIGICAVWMTMLD-UHFFFAOYSA-N -1 0 464.541 4.523 50 0 JJAARM CCCCN(CC)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1C(=O)[O-] ZINC000033253555 520483829 /nfs/dbraw/zinc/48/38/29/520483829.db2.gz KJEJOFAREYAJHY-UHFFFAOYSA-N -1 0 455.374 4.575 50 0 JJAARM CCCS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2c3ccccc3oc2C(=O)c2ccc(C)cc2)n1 ZINC000016750823 520547645 /nfs/dbraw/zinc/54/76/45/520547645.db2.gz OPAZNQUUPVQCJX-UHFFFAOYSA-N -1 0 497.960 4.852 50 0 JJAARM CCN(CC)C(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4ccccc4F)ccc3n2C)cc1 ZINC000033277027 520547840 /nfs/dbraw/zinc/54/78/40/520547840.db2.gz KVYQONRPXAOADB-UHFFFAOYSA-N -1 0 480.565 4.662 50 0 JJAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)[n-]c1=O ZINC000021882736 521202967 /nfs/dbraw/zinc/20/29/67/521202967.db2.gz NACHACMQBXCIMX-ZDUSSCGKSA-N -1 0 471.970 4.674 50 0 JJAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@H](CC)C(=O)Nc2ccc(F)cc2)[n-]c1=O ZINC000021882706 521204261 /nfs/dbraw/zinc/20/42/61/521204261.db2.gz MMIQZFHWLVJVKX-GOSISDBHSA-N -1 0 469.542 4.550 50 0 JJAARM CCOC(=O)[C@H]1CCCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4ccc(Cl)cc4)ccc3n2)C1 ZINC000045967859 521303365 /nfs/dbraw/zinc/30/33/65/521303365.db2.gz UBDPKVOJUMGVJR-INIZCTEOSA-N -1 0 481.936 4.618 50 0 JJAARM CCN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000033253822 521374266 /nfs/dbraw/zinc/37/42/66/521374266.db2.gz LNJQOYMJFHZDAN-UHFFFAOYSA-N -1 0 489.391 4.975 50 0 JJAARM CCCc1cc(Sc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3OC)cc2)n2ncnc2n1 ZINC000033276032 521386398 /nfs/dbraw/zinc/38/63/98/521386398.db2.gz IPMXUCVZAXAMIW-UHFFFAOYSA-N -1 0 490.010 4.691 50 0 JJAARM CCOC(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002195887 521522270 /nfs/dbraw/zinc/52/22/70/521522270.db2.gz IRPLWMIGWNPRTP-UHFFFAOYSA-N -1 0 462.531 4.659 50 0 JJAARM CCOC(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000002414576 521522506 /nfs/dbraw/zinc/52/25/06/521522506.db2.gz MEQDYENWPBRZEA-UHFFFAOYSA-N -1 0 476.558 4.968 50 0 JJAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cccn2-c2ncc(C(F)(F)F)cc2Cl)c1 ZINC000001385661 521547767 /nfs/dbraw/zinc/54/77/67/521547767.db2.gz UBWCIGUBWUCFFY-UHFFFAOYSA-N -1 0 473.860 4.522 50 0 JJAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(/C=C\c2onc(C)c2NC(=O)CC)cc1 ZINC000033297946 521554627 /nfs/dbraw/zinc/55/46/27/521554627.db2.gz AQPICZMOEHBQON-QINSGFPZSA-N -1 0 455.536 4.701 50 0 JJAARM CCCn1nc(C)cc1CN(C)c1ccc(NS(=O)(=O)c2cc(C)c(C)cc2C)cc1C(=O)[O-] ZINC000033253817 521669061 /nfs/dbraw/zinc/66/90/61/521669061.db2.gz QBUDOVIOEWJGKY-UHFFFAOYSA-N -1 0 484.622 4.662 50 0 JJAARM COc1cc(C=C2NC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000022577349 521966863 /nfs/dbraw/zinc/96/68/63/521966863.db2.gz IFTRKFJLNFGYEB-MOSHPQCFSA-N -1 0 466.559 4.774 50 0 JJAARM CCc1nc2sc([C@@H](c3ccc(C)cc3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000022854785 522535518 /nfs/dbraw/zinc/53/55/18/522535518.db2.gz GICUXCSMOJDNHR-OAQYLSRUSA-N -1 0 468.026 4.932 50 0 JJAARM COc1cc([N-]S(=O)(=O)c2ccc(Nc3nc(-c4ccc(C)c(C)c4)cs3)cc2)nc(OC)n1 ZINC000006088934 522756259 /nfs/dbraw/zinc/75/62/59/522756259.db2.gz GJVCRUUZXDJERS-UHFFFAOYSA-N -1 0 497.602 4.779 50 0 JJAARM COc1cc(OC)c([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)cs2)cc1Cl ZINC000033299210 522815963 /nfs/dbraw/zinc/81/59/63/522815963.db2.gz GHXBUUCDWMBFAG-UHFFFAOYSA-N -1 0 468.862 4.893 50 0 JJAARM COc1ccc(Br)cc1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002243679 523503579 /nfs/dbraw/zinc/50/35/79/523503579.db2.gz QIIKXJDEJNMZBK-QFIPXVFZSA-N -1 0 496.357 4.992 50 0 JJAARM CCn1nc(C)c(CCN(C)c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2C(=O)[O-])c1C ZINC000033253788 523633405 /nfs/dbraw/zinc/63/34/05/523633405.db2.gz YNEJIAQPDZIHDT-UHFFFAOYSA-N -1 0 498.649 4.821 50 0 JJAARM COc1ccc(C(=O)Nc2ccc(N3CCN(c4cc(Cl)ccc4C)CC3)c(C(=O)[O-])c2)cc1 ZINC000033078586 523751525 /nfs/dbraw/zinc/75/15/25/523751525.db2.gz WOTFTNLYSIRNRT-UHFFFAOYSA-N -1 0 479.964 4.934 50 0 JJAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cc4cccc(C)c4nc3Cl)C2)cc1 ZINC000004111288 523875910 /nfs/dbraw/zinc/87/59/10/523875910.db2.gz XWTTVGPAPPDRKG-FQEVSTJZSA-N -1 0 451.910 4.748 50 0 JJAARM COC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000008444456 524024173 /nfs/dbraw/zinc/02/41/73/524024173.db2.gz SREUXJMFLPMDPL-ZIAGYGMSSA-N -1 0 466.353 4.794 50 0 JJAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1c2oc(C(=O)N3CCOCC3)c(C)c2cc(C)c1C ZINC000065010826 524066212 /nfs/dbraw/zinc/06/62/12/524066212.db2.gz ODLDDQQNKVAERR-UHFFFAOYSA-N -1 0 470.591 4.502 50 0 JJAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCN(Cc3ccccc3)CC2)c1C ZINC000033405234 524254151 /nfs/dbraw/zinc/25/41/51/524254151.db2.gz KPVHDPYMJQRAAN-UHFFFAOYSA-N -1 0 491.657 4.679 50 0 JJAARM COc1cccc2sc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(C)cc3)nc21 ZINC000006146754 524264174 /nfs/dbraw/zinc/26/41/74/524264174.db2.gz XKXYOTJQQDTLLP-UHFFFAOYSA-N -1 0 453.545 4.666 50 0 JJAARM Cc1cccc(N2C(=O)[N-]C(=O)[C@@](CCc3ccncc3)(Cc3ccc(C(C)C)cc3)C2=O)c1 ZINC000016293267 524533579 /nfs/dbraw/zinc/53/35/79/524533579.db2.gz XFHDVVWNUSTHRL-MUUNZHRXSA-N -1 0 455.558 4.958 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(-c2nnc(-c3ccc(OC)c(OC)c3)o2)ccc1C ZINC000064988044 524641372 /nfs/dbraw/zinc/64/13/72/524641372.db2.gz MDNDPKGECJDOGQ-UHFFFAOYSA-N -1 0 481.530 4.539 50 0 JJAARM Cc1ccc(Cl)cc1N1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)C(C)C)ccc3n2)CC1 ZINC000033260662 524736819 /nfs/dbraw/zinc/73/68/19/524736819.db2.gz AEGDOFLHBIBECR-UHFFFAOYSA-N -1 0 466.969 4.816 50 0 JJAARM Cc1ccc(Cl)cc1N1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)C4CC4)ccc3n2)CC1 ZINC000033260830 524738022 /nfs/dbraw/zinc/73/80/22/524738022.db2.gz WLHLOEKNXYAZPW-UHFFFAOYSA-N -1 0 464.953 4.570 50 0 JJAARM COc1ccc(OC)c(NC(=O)c2cc3cccc(OC)c3o/c2=N\c2ccc(C(=O)[O-])cc2)c1 ZINC000004471762 524865695 /nfs/dbraw/zinc/86/56/95/524865695.db2.gz HVTPUIIDHSLYEU-RFBIWTDZSA-N -1 0 474.469 4.642 50 0 JJAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3sc(NC(=O)c4ccc(C)cc4)nc3c2)c1 ZINC000033116488 524881060 /nfs/dbraw/zinc/88/10/60/524881060.db2.gz XEFROAKDJJMUTP-UHFFFAOYSA-N -1 0 483.571 4.675 50 0 JJAARM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCN(c3ccccc3F)CC2)ccc1Cl ZINC000002882969 525272072 /nfs/dbraw/zinc/27/20/72/525272072.db2.gz PBVYHALQELZFKM-UHFFFAOYSA-N -1 0 487.984 4.551 50 0 JJAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C\c3ccc(Cl)cc3Cl)cc2)nc(C)n1 ZINC000033290954 525288779 /nfs/dbraw/zinc/28/87/79/525288779.db2.gz YIOQDHREZSVXNY-WMZJFQQLSA-N -1 0 477.373 4.853 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]C(=O)NCCOc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000013305913 525561260 /nfs/dbraw/zinc/56/12/60/525561260.db2.gz QEBXHTFZMOSQPY-UHFFFAOYSA-N -1 0 468.619 4.530 50 0 JJAARM Cc1ccc(Sc2cc3c(cc2[N-]S(=O)(=O)c2ccc(Cl)s2)n(C)c(=O)n3C)cc1 ZINC000045941118 525670051 /nfs/dbraw/zinc/67/00/51/525670051.db2.gz STJKUHCWTKSZPQ-UHFFFAOYSA-N -1 0 480.036 4.852 50 0 JJAARM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000006088426 525924469 /nfs/dbraw/zinc/92/44/69/525924469.db2.gz XNJHSPUSTYIGPB-LLVKDONJSA-N -1 0 472.375 4.657 50 0 JJAARM COc1cccc(N2CCN(c3ccc(NC(=O)c4ccccc4Cl)cc3C(=O)[O-])CC2)c1 ZINC000033078543 526157760 /nfs/dbraw/zinc/15/77/60/526157760.db2.gz CCWIJRUEBKQYCG-UHFFFAOYSA-N -1 0 465.937 4.626 50 0 JJAARM Cc1coc2c1cc1c(C)c(CCC(=O)N[C@@H](CSCc3ccccc3)C(=O)[O-])c(=O)oc1c2C ZINC000002107506 526291390 /nfs/dbraw/zinc/29/13/90/526291390.db2.gz UBFNUXFSCXAVHF-QFIPXVFZSA-N -1 0 493.581 4.900 50 0 biogenic JJAARM Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cn2CC(=O)N2CCCCC2)n1 ZINC000033307731 526300677 /nfs/dbraw/zinc/30/06/77/526300677.db2.gz HZDNZKHCAXIHBF-UHFFFAOYSA-N -1 0 497.017 4.526 50 0 JJAARM [O-]c1c([C@@H](c2cccs2)N2CCN(Cc3ccccc3)CC2)sc2nc(-c3ccco3)nn12 ZINC000022798582 526331466 /nfs/dbraw/zinc/33/14/66/526331466.db2.gz LOVDWMSIGIRSBO-HXUWFJFHSA-N -1 0 477.615 4.725 50 0 JJAARM O=C([O-])c1cc(N2CCN(c3ccccc3F)CC2)nc2ccc(NC(=O)c3ccccc3F)cc21 ZINC000033260645 526349227 /nfs/dbraw/zinc/34/92/27/526349227.db2.gz GCHMPYCLETVEIV-UHFFFAOYSA-N -1 0 488.494 4.790 50 0 JJAARM O=C([O-])c1cc(NC(=O)COc2ccc(Cl)cc2)cc(NC(=O)COc2ccc(Cl)cc2)c1 ZINC000002881207 526350183 /nfs/dbraw/zinc/35/01/83/526350183.db2.gz VNIXHMAQZRIRQI-UHFFFAOYSA-N -1 0 489.311 4.727 50 0 JJAARM O=C(NCc1ccc(Cl)cc1)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000006146915 526661456 /nfs/dbraw/zinc/66/14/56/526661456.db2.gz FYPPAVVBSINTGA-UHFFFAOYSA-N -1 0 479.783 4.833 50 0 JJAARM O=C(NCc1cccc(Cl)c1)c1ccccc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000023448599 526717151 /nfs/dbraw/zinc/71/71/51/526717151.db2.gz URNQSVILUOLIMU-UHFFFAOYSA-N -1 0 484.883 4.969 50 0 JJAARM Cc1oc2cc(OCC(=O)N[C@@H](C(=O)[O-])c3ccccc3)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000020426635 526779329 /nfs/dbraw/zinc/77/93/29/526779329.db2.gz HOMVVSKLMSKDJS-XMMPIXPASA-N -1 0 477.900 4.743 50 0 JJAARM Cn1c2cc([N-]S(=O)(=O)c3ccc(Cl)s3)c(Sc3ccccc3)cc2n(C)c1=O ZINC000045940999 527097272 /nfs/dbraw/zinc/09/72/72/527097272.db2.gz MQGALNNVRTWWKR-UHFFFAOYSA-N -1 0 466.009 4.544 50 0 JJAARM O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1c1nnc(C(F)(F)F)[n-]1 ZINC000016741965 527138225 /nfs/dbraw/zinc/13/82/25/527138225.db2.gz WDUJYGLJWMGBBA-CQSZACIVSA-N -1 0 481.217 4.987 50 0 JJAARM O=S(=O)([N-]c1nc2ccccc2nc1NCc1ccccc1Cl)c1cccc2nsnc21 ZINC000002419943 527258800 /nfs/dbraw/zinc/25/88/00/527258800.db2.gz BKAIXYRWGWUULO-UHFFFAOYSA-N -1 0 482.978 4.701 50 0 JJAARM Cc1nn(-c2ccc(Br)cc2)c2c1C(=C([O-])c1cc3ccccc3o1)CC(=O)N2 ZINC000046057016 527519024 /nfs/dbraw/zinc/51/90/24/527519024.db2.gz FRTYMAMENMRKCB-INIZCTEOSA-N -1 0 450.292 4.998 50 0 JJAARM Cc1nn(C)c(C)c1CCCN(C)c1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1C(=O)[O-] ZINC000033253691 527620704 /nfs/dbraw/zinc/62/07/04/527620704.db2.gz FEWGKSZQBQFDCK-UHFFFAOYSA-N -1 0 498.649 4.728 50 0 JJAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc32)cc1 ZINC000000669540 553744429 /nfs/dbraw/zinc/74/44/29/553744429.db2.gz BBDHMEKHVATHQG-UHFFFAOYSA-N -1 0 473.554 4.596 50 0 JJAARM C[C@@H]1CCCN(C(=S)SCC(=O)c2cc(Br)cc(Br)c2[O-])C1 ZINC000000896365 553832479 /nfs/dbraw/zinc/83/24/79/553832479.db2.gz WVXUIXINYPYVRB-SECBINFHSA-N -1 0 467.248 4.850 50 0 JJAARM O=C(/C=C/c1ccc(OCc2ccccc2)cc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000955018 553883156 /nfs/dbraw/zinc/88/31/56/553883156.db2.gz NHLSRHGMVRNNKT-CXUHLZMHSA-N -1 0 486.553 4.508 50 0 JJAARM CCOC(=O)c1c([N-]S(=O)(=O)c2ccc(Br)cc2)sc2c1CC[C@@H](C)C2 ZINC000000995048 553896977 /nfs/dbraw/zinc/89/69/77/553896977.db2.gz KOGBFNMPFOLZRS-LLVKDONJSA-N -1 0 458.399 4.613 50 0 JJAARM O=C([O-])c1cccc(NC(=S)N[C@H](NC(=O)c2cccc3ccccc32)C(Cl)(Cl)Cl)c1 ZINC000001232957 553936307 /nfs/dbraw/zinc/93/63/07/553936307.db2.gz HCPSEKMCDNWKSK-IBGZPJMESA-N -1 0 496.803 4.951 50 0 JJAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N[C@@H](C(=O)[O-])c1ccccc1)oc1c3CCCC1 ZINC000002108293 554048317 /nfs/dbraw/zinc/04/83/17/554048317.db2.gz MUGVDPXLCJOYSZ-RUZDIDTESA-N -1 0 459.498 4.601 50 0 biogenic JJAARM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)N[C@H](C(=O)[O-])c3ccccc3)c(=O)oc12 ZINC000002122889 554056903 /nfs/dbraw/zinc/05/69/03/554056903.db2.gz CPYCSSRFUGYRJC-QFIPXVFZSA-N -1 0 461.514 4.938 50 0 biogenic JJAARM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CCC(=O)N3CCC(C(=O)[O-])CC3)c(=O)oc12 ZINC000002123142 554057064 /nfs/dbraw/zinc/05/70/64/554057064.db2.gz CUWYLIOECHTPHR-UHFFFAOYSA-N -1 0 453.535 4.709 50 0 biogenic JJAARM CSC[C@H](NC(=O)CCc1c(C)c2cc3c(cc2oc1=O)oc(C)c3-c1ccccc1)C(=O)[O-] ZINC000002126199 554058245 /nfs/dbraw/zinc/05/82/45/554058245.db2.gz RSZWDMIQMWCLJJ-FQEVSTJZSA-N -1 0 479.554 4.688 50 0 biogenic JJAARM CC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(Cl)cc1)C(=O)[O-] ZINC000002126105 554058264 /nfs/dbraw/zinc/05/82/64/554058264.db2.gz RMSFDLVYMHEGCM-IBGZPJMESA-N -1 0 453.878 4.690 50 0 biogenic JJAARM CC(C)Oc1ccc(/C=C(\NC(=O)/C=C/c2ccccc2)C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000002247241 554112177 /nfs/dbraw/zinc/11/21/77/554112177.db2.gz HZRUNQQTGGGCQM-WHXQNIATSA-N -1 0 470.525 4.981 50 0 JJAARM CCOC(=O)[C@@]([N-]c1nc2ccccc2s1)(NC(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000002314948 554145029 /nfs/dbraw/zinc/14/50/29/554145029.db2.gz YKVJJTZYVJOCKK-SFHVURJKSA-N -1 0 457.861 4.613 50 0 JJAARM COc1ccc(CCn2c([N-]S(=O)(=O)c3ccccc3)cc3nc4ccccc4nc32)cc1 ZINC000002408014 554190081 /nfs/dbraw/zinc/19/00/81/554190081.db2.gz MQMTYMBAXZPYCC-UHFFFAOYSA-N -1 0 458.543 4.637 50 0 JJAARM CCOC(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000002411423 554191988 /nfs/dbraw/zinc/19/19/88/554191988.db2.gz AZNKOVRMHWUOJV-UHFFFAOYSA-N -1 0 476.558 4.968 50 0 JJAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccccc2Br)cc1 ZINC000002439507 554209290 /nfs/dbraw/zinc/20/92/90/554209290.db2.gz LRQGVSJWAFCMQA-UHFFFAOYSA-N -1 0 485.363 4.945 50 0 JJAARM CC(C)(OC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])c1ccccc1 ZINC000002560716 554235906 /nfs/dbraw/zinc/23/59/06/554235906.db2.gz MEAHCBOPNIDLFH-DEOSSOPVSA-N -1 0 473.525 4.847 50 0 JJAARM COc1ccc2c(CC(=O)Nc3ccc(OC)c([N-]S(=O)(=O)c4ccc(F)cc4)c3)coc2c1 ZINC000002637408 554257870 /nfs/dbraw/zinc/25/78/70/554257870.db2.gz FPLWFNGTYZKFPA-UHFFFAOYSA-N -1 0 484.505 4.571 50 0 aggregator JJAARM CCOc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(N(C)C)cc2)cc1 ZINC000002653515 554269438 /nfs/dbraw/zinc/26/94/38/554269438.db2.gz QVAIGGJYPYAJFG-UHFFFAOYSA-N -1 0 463.563 4.639 50 0 JJAARM O=C([O-])CCC(=O)N(Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)Cc1ccccc1 ZINC000002701484 554294389 /nfs/dbraw/zinc/29/43/89/554294389.db2.gz SCKZJDMGONZZEF-UHFFFAOYSA-N -1 0 497.551 4.704 50 0 JJAARM Cn1nc(C(F)(F)F)c(Br)c1-c1nnc([N-]c2ccn(Cc3ccccc3)n2)s1 ZINC000002731058 554315272 /nfs/dbraw/zinc/31/52/72/554315272.db2.gz NCWHSLIKLNJPAA-UHFFFAOYSA-N -1 0 484.305 4.708 50 0 JJAARM Cn1nc(C(F)(F)F)cc1-c1nnc([N-]c2ccn(Cc3c(F)cccc3Cl)n2)s1 ZINC000002731548 554315837 /nfs/dbraw/zinc/31/58/37/554315837.db2.gz OXLCQHLHPNPHPK-UHFFFAOYSA-N -1 0 457.844 4.738 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000002759998 554331119 /nfs/dbraw/zinc/33/11/19/554331119.db2.gz UWIHFLRTGALAAA-UHFFFAOYSA-N -1 0 481.357 4.820 50 0 JJAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3C)cc2)no1 ZINC000002773992 554338140 /nfs/dbraw/zinc/33/81/40/554338140.db2.gz IRIBZKQZRXJXGT-UHFFFAOYSA-N -1 0 463.943 4.543 50 0 JJAARM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1cc(Cl)ccc1Cl ZINC000002843699 554374585 /nfs/dbraw/zinc/37/45/85/554374585.db2.gz GVVUGZFIJXSBMH-UHFFFAOYSA-N -1 0 475.350 4.734 50 0 JJAARM O=C([O-])COc1ccc(Br)cc1/C=C1\SC(=O)N(Cc2ccccc2Cl)C1=O ZINC000002843901 554374940 /nfs/dbraw/zinc/37/49/40/554374940.db2.gz XQGAIQYBPRMXDP-PXNMLYILSA-N -1 0 482.739 4.802 50 0 JJAARM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1cccs1 ZINC000002853439 554381162 /nfs/dbraw/zinc/38/11/62/554381162.db2.gz JPJMQSWFFSRDAS-UHFFFAOYSA-N -1 0 463.389 4.657 50 0 JJAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(Nc3nc(-c4ccc(F)cc4)cs3)cc2)n1 ZINC000002861574 554388264 /nfs/dbraw/zinc/38/82/64/554388264.db2.gz PARIUSGXPRSYJN-UHFFFAOYSA-N -1 0 455.540 4.900 50 0 JJAARM COc1ccc(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1 ZINC000002885375 554406381 /nfs/dbraw/zinc/40/63/81/554406381.db2.gz XRXJCQXKAUOVMJ-UHFFFAOYSA-N -1 0 472.994 4.739 50 0 JJAARM COc1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000002888686 554407625 /nfs/dbraw/zinc/40/76/25/554407625.db2.gz WQLZHLJNXNCSHM-UHFFFAOYSA-N -1 0 458.967 4.696 50 0 JJAARM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)N1CCN(c2cccc(Cl)c2)CC1 ZINC000002970323 554413996 /nfs/dbraw/zinc/41/39/96/554413996.db2.gz PFUUSXBRNLFTMT-UHFFFAOYSA-N -1 0 471.026 4.622 50 0 JJAARM C[C@@H]1CCC[C@@H](NC(=O)CCCn2c(=O)c3cc(Br)ccc3[n-]c2=S)[C@H]1C ZINC000002973737 554414442 /nfs/dbraw/zinc/41/44/42/554414442.db2.gz WUDCCMITBVORMP-DVOMOZLQSA-N -1 0 452.418 4.543 50 0 JJAARM O=C(CCCn1c(=O)c2cc(Br)ccc2[n-]c1=S)NCc1cccc(Cl)c1 ZINC000002973741 554414503 /nfs/dbraw/zinc/41/45/03/554414503.db2.gz IIKMDUFSTKUVNJ-UHFFFAOYSA-N -1 0 466.788 4.572 50 0 JJAARM C[C@H](CCc1ccccc1)NC(=O)c1ccc(Cn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)cc1 ZINC000002975395 554415264 /nfs/dbraw/zinc/41/52/64/554415264.db2.gz WADIYRPBMJGZNY-QGZVFWFLSA-N -1 0 487.581 4.587 50 0 JJAARM O=C(NCc1ccccc1)c1ccc2c(c1)[n-]c(=S)n(Cc1cccc(Br)c1)c2=O ZINC000003630297 554467395 /nfs/dbraw/zinc/46/73/95/554467395.db2.gz UOPASGDLKXFJHL-UHFFFAOYSA-N -1 0 480.387 4.800 50 0 JJAARM O=C(NCCSCc1ccccc1)c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O ZINC000003631255 554468025 /nfs/dbraw/zinc/46/80/25/554468025.db2.gz VXWHJQSAUOSJAG-UHFFFAOYSA-N -1 0 475.639 4.965 50 0 JJAARM O=C(NCc1ccc(F)cc1)c1ccc2c(=O)n(Cc3cccc(Br)c3)c(=S)[n-]c2c1 ZINC000003632178 554468923 /nfs/dbraw/zinc/46/89/23/554468923.db2.gz QZWOEGKWIWOPAY-UHFFFAOYSA-N -1 0 498.377 4.565 50 0 JJAARM CCC[C@@H](C)NC(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(C)(C)C)ccc1C ZINC000006093604 554505049 /nfs/dbraw/zinc/50/50/49/554505049.db2.gz NRFYREDOQSXXFP-GOSISDBHSA-N -1 0 474.623 4.555 50 0 JJAARM C[C@H]1Cc2ccccc2N1C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000006146511 554510836 /nfs/dbraw/zinc/51/08/36/554510836.db2.gz MJACNWDRPKKPNG-HNNXBMFYSA-N -1 0 471.376 4.841 50 0 JJAARM O=C([O-])CCCCCNC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccc(Br)cc1 ZINC000008756533 554658533 /nfs/dbraw/zinc/65/85/33/554658533.db2.gz RWOJFTPQOUTYGW-WDECGGBJSA-N -1 0 485.378 4.537 50 0 JJAARM CCOc1ccc(S(=O)(=O)[N-]c2ncnc3scc(-c4ccc(OC)cc4)c32)cc1OCC ZINC000008826158 554715441 /nfs/dbraw/zinc/71/54/41/554715441.db2.gz SKTAWVORPSZDQS-UHFFFAOYSA-N -1 0 485.587 4.965 50 0 JJAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)OCc2nnc(-c3ccccc3)o2)c1 ZINC000008826140 554715452 /nfs/dbraw/zinc/71/54/52/554715452.db2.gz GYNSCVDWIFKUSF-UHFFFAOYSA-N -1 0 463.515 4.511 50 0 JJAARM COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)c(OC)c2C(=O)[O-])c1 ZINC000008837765 554738783 /nfs/dbraw/zinc/73/87/83/554738783.db2.gz MVCRBDJMNCHZKT-CJFMBICVSA-N -1 0 460.486 4.653 50 0 biogenic JJAARM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N(CC)c1ccccc1O2 ZINC000008961147 554837755 /nfs/dbraw/zinc/83/77/55/554837755.db2.gz LXSOKYAPHLENAB-UHFFFAOYSA-N -1 0 452.532 4.967 50 0 JJAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N(C)c1cc(C)ccc1O2 ZINC000008961513 554837897 /nfs/dbraw/zinc/83/78/97/554837897.db2.gz GZNTXOLSMXGAQJ-UHFFFAOYSA-N -1 0 458.923 4.840 50 0 JJAARM COc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4)=NN32)c(C(=O)[O-])c1OC ZINC000009033107 554867414 /nfs/dbraw/zinc/86/74/14/554867414.db2.gz DXVSFRSZKJGQIK-CLOONOSVSA-N -1 0 460.486 4.653 50 0 biogenic JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(Br)o2)ccc1Cl ZINC000009086855 554888967 /nfs/dbraw/zinc/88/89/67/554888967.db2.gz USEHDWAEFBPWAO-UHFFFAOYSA-N -1 0 485.743 4.757 50 0 JJAARM Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(Sc4ccccn4)c(Cl)c3)c(Cl)cc21 ZINC000009130230 554929252 /nfs/dbraw/zinc/92/92/52/554929252.db2.gz HEVHIUZVOYOADP-UHFFFAOYSA-N -1 0 482.370 4.785 50 0 JJAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCC(C)(C)C(=O)N2CCC(C)C ZINC000009169397 554952894 /nfs/dbraw/zinc/95/28/94/554952894.db2.gz CYZDGVZEGZPQQB-UHFFFAOYSA-N -1 0 460.596 4.602 50 0 JJAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCC(C)(C)C(=O)N2CCC(C)C ZINC000009169598 554953046 /nfs/dbraw/zinc/95/30/46/554953046.db2.gz YQXCBJGDUYKFDL-UHFFFAOYSA-N -1 0 481.014 4.947 50 0 JJAARM CC[C@@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000009352271 555117737 /nfs/dbraw/zinc/11/77/37/555117737.db2.gz OXUAOJFQJGCBSM-HUUCEWRRSA-N -1 0 485.027 4.539 50 0 JJAARM Cc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3cc4cc5c(cc4nc3Cl)OCCO5)C2)cc1 ZINC000009360241 555123301 /nfs/dbraw/zinc/12/33/01/555123301.db2.gz MTVQNJJJBXFRAA-NRFANRHFSA-N -1 0 493.947 4.900 50 0 JJAARM CCOc1ccc2nc(Cl)c([C@@H]3CC(c4ccc(OC)cc4)=NN3C(=O)CCC(=O)[O-])cc2c1 ZINC000009427540 555192792 /nfs/dbraw/zinc/19/27/92/555192792.db2.gz MIIFCSFEMXHQQX-QFIPXVFZSA-N -1 0 481.936 4.838 50 0 JJAARM C[C@@H]1CCC[C@@H](NC(=O)CCCn2c(=O)c3cc(Br)ccc3[n-]c2=S)[C@@H]1C ZINC000009434335 555205350 /nfs/dbraw/zinc/20/53/50/555205350.db2.gz WUDCCMITBVORMP-XJKCOSOUSA-N -1 0 452.418 4.543 50 0 JJAARM Cc1ccccc1-n1c(=O)c2ccc(Cl)cc2nc1SCc1nc(=O)c2sccc2[n-]1 ZINC000009442272 555214157 /nfs/dbraw/zinc/21/41/57/555214157.db2.gz VKOJYYAHCAHLSE-UHFFFAOYSA-N -1 0 466.975 4.938 50 0 JJAARM C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000009468657 555248920 /nfs/dbraw/zinc/24/89/20/555248920.db2.gz FVGHGPYRNROAGN-HNNXBMFYSA-N -1 0 487.006 4.879 50 0 JJAARM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CCC(=O)N3CCC[C@H](C(=O)[O-])C3)c(=O)oc12 ZINC000009481524 555261123 /nfs/dbraw/zinc/26/11/23/555261123.db2.gz RKYPFIYEQYQXCK-INIZCTEOSA-N -1 0 453.535 4.709 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2c(C)nn(Cc3ccccc3)c2C)c1 ZINC000009492384 555272228 /nfs/dbraw/zinc/27/22/28/555272228.db2.gz QTKAXAOJDWFMFQ-UHFFFAOYSA-N -1 0 490.585 4.610 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)COc3cc(C)ccc3C(C)C)ccc2OC)cc1 ZINC000009492630 555272872 /nfs/dbraw/zinc/27/28/72/555272872.db2.gz UGRDOULWQCAXDP-UHFFFAOYSA-N -1 0 498.601 4.954 50 0 JJAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3-c3ccccc3)cc2)nc(C)n1 ZINC000009516193 555307806 /nfs/dbraw/zinc/30/78/06/555307806.db2.gz UVKZOBQTSACEFU-UHFFFAOYSA-N -1 0 488.569 4.579 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)CCSc2ccccc2)ccc1C ZINC000009540601 555333696 /nfs/dbraw/zinc/33/36/96/555333696.db2.gz PSNHRNNDFVCTPT-UHFFFAOYSA-N -1 0 456.589 4.925 50 0 JJAARM CCCCn1nc([N-]S(=O)(=O)c2ccc(Br)cc2)c2cc3ccccc3nc21 ZINC000009546068 555340123 /nfs/dbraw/zinc/34/01/23/555340123.db2.gz COLQGQSCQAAUHV-UHFFFAOYSA-N -1 0 459.369 4.948 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)CCSc2ccc(F)cc2)c1 ZINC000009546163 555340579 /nfs/dbraw/zinc/34/05/79/555340579.db2.gz FMCRYUDCFAGTLW-UHFFFAOYSA-N -1 0 490.578 4.765 50 0 JJAARM O=C(Nc1ccc(Cl)cc1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000013145423 555342296 /nfs/dbraw/zinc/34/22/96/555342296.db2.gz VPGBCLWAKMCFPF-UHFFFAOYSA-N -1 0 458.923 4.554 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)Cc2ccc(C)c(C)c2)ccc1N1CCCC1 ZINC000013148920 555350718 /nfs/dbraw/zinc/35/07/18/555350718.db2.gz OUARVGLSUNRGAF-UHFFFAOYSA-N -1 0 493.629 4.894 50 0 JJAARM COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000009562882 555364529 /nfs/dbraw/zinc/36/45/29/555364529.db2.gz ZUEXUVYXJOSZHY-UHFFFAOYSA-N -1 0 493.415 4.665 50 0 JJAARM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(-c4cn5ccc(C)nc5n4)cc3)s2)cs1 ZINC000009572199 555368939 /nfs/dbraw/zinc/36/89/39/555368939.db2.gz KGFNYEUPSYEYGS-UHFFFAOYSA-N -1 0 467.601 4.999 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)NCc4ccccc4)cc3s2)cc1 ZINC000013349006 555378941 /nfs/dbraw/zinc/37/89/41/555378941.db2.gz UDBHMZNEDJOZLQ-UHFFFAOYSA-N -1 0 452.561 4.727 50 0 JJAARM COC(=O)c1cccc(NC(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccc(C)cc4)sc3c2)c1 ZINC000013349104 555378982 /nfs/dbraw/zinc/37/89/82/555378982.db2.gz DWOCGTGNSLMRDW-UHFFFAOYSA-N -1 0 496.570 4.836 50 0 JJAARM COc1ccc(OC)c(NC(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccccc4)sc3c2)c1 ZINC000013349393 555379666 /nfs/dbraw/zinc/37/96/66/555379666.db2.gz YXFRDMHAWNEJOX-UHFFFAOYSA-N -1 0 484.559 4.758 50 0 JJAARM CCOC(=O)c1ccc(-c2ccc(C=C(Cl)c3nc4cc(C(=O)[O-])ccc4c(=O)[nH]3)o2)cc1 ZINC000013351526 555380611 /nfs/dbraw/zinc/38/06/11/555380611.db2.gz CLIMMJDNJCZGRO-PDGQHHTCSA-N -1 0 464.861 4.795 50 0 JJAARM C[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000013494981 555406832 /nfs/dbraw/zinc/40/68/32/555406832.db2.gz MWROAICJVWBDCV-ZDUSSCGKSA-N -1 0 464.385 4.836 50 0 JJAARM CSc1ccccc1NC(=O)Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000009828531 555526135 /nfs/dbraw/zinc/52/61/35/555526135.db2.gz MWLMOTOWDBVOJG-UHFFFAOYSA-N -1 0 453.998 4.500 50 0 JJAARM CCOc1ccc2nc([N-]S(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4CC)sc2c1 ZINC000019923853 555540585 /nfs/dbraw/zinc/54/05/85/555540585.db2.gz UVWMXCVDTUHBFA-UHFFFAOYSA-N -1 0 453.545 4.629 50 0 JJAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccc(/C=C/c3cccs3)n2)cc1)c1ccccc1 ZINC000009972212 555571471 /nfs/dbraw/zinc/57/14/71/555571471.db2.gz MUKYJXXKEBGXAV-DHZHZOJOSA-N -1 0 462.556 4.762 50 0 JJAARM CCOC(=O)[C@](Nc1ccccc1Cl)(c1c(C)[n-]n(-c2ccccc2)c1=O)C(F)(F)F ZINC000013757117 555611187 /nfs/dbraw/zinc/61/11/87/555611187.db2.gz NIQAFNSCKJJPDN-FXAWDEMLSA-N -1 0 453.848 4.655 50 0 JJAARM CC[C@H](Sc1ncc(S(=O)(=O)c2ccc(C)cc2)c(=O)[n-]1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000010433705 555708104 /nfs/dbraw/zinc/70/81/04/555708104.db2.gz OKNUSPUGVXJDAA-FQEVSTJZSA-N -1 0 485.631 4.544 50 0 JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)N4CCC(Cc5ccccc5)CC4)c3=O)c2c1 ZINC000020330630 555775829 /nfs/dbraw/zinc/77/58/29/555775829.db2.gz MFBAWNVIKACFRZ-UHFFFAOYSA-N -1 0 490.629 4.810 50 0 JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(Cc4ccc(C(=O)N(C)Cc5ccccc5)cc4)c3=O)c2c1 ZINC000020331243 555776106 /nfs/dbraw/zinc/77/61/06/555776106.db2.gz HICNEBGAXKWEST-UHFFFAOYSA-N -1 0 484.581 4.869 50 0 JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(Cc4ccc(C(=O)NCCc5ccccc5)cc4)c3=O)c2c1 ZINC000020331190 555776203 /nfs/dbraw/zinc/77/62/03/555776203.db2.gz CZLHOVSHYXNHGI-UHFFFAOYSA-N -1 0 484.581 4.570 50 0 biogenic JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)N[C@@H]4CCC[C@H](C)[C@@H]4C)c3=O)c2c1 ZINC000020331397 555776579 /nfs/dbraw/zinc/77/65/79/555776579.db2.gz QZYYJTASRLKQIG-RLFYNMQTSA-N -1 0 456.612 4.660 50 0 JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)N[C@@H]4CCCc5ccccc54)c3=O)c2c1 ZINC000020331526 555776586 /nfs/dbraw/zinc/77/65/86/555776586.db2.gz NSAUOYYLSGBCAV-HXUWFJFHSA-N -1 0 476.602 4.913 50 0 JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)NCc4ccc(Cl)cc4)c3=O)c2c1 ZINC000020331372 555776603 /nfs/dbraw/zinc/77/66/03/555776603.db2.gz ORLRWQWZRWCUBV-UHFFFAOYSA-N -1 0 470.982 4.689 50 0 JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)NCc4ccccc4Cl)c3=O)c2c1 ZINC000020331348 555776612 /nfs/dbraw/zinc/77/66/12/555776612.db2.gz CLCMGSKMAKRGJL-UHFFFAOYSA-N -1 0 470.982 4.689 50 0 JJAARM Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=C(Cl)c1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000014359045 555798191 /nfs/dbraw/zinc/79/81/91/555798191.db2.gz YMOHFNFSZWGMKS-SXGWCWSVSA-N -1 0 459.264 4.645 50 0 JJAARM C[C@H]1CCCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc(Cl)c(Cl)cc3Cl)cc2)C1 ZINC000020568973 555822585 /nfs/dbraw/zinc/82/25/85/555822585.db2.gz JPYYQYZDLMXIMO-LBPRGKRZSA-N -1 0 497.853 4.868 50 0 JJAARM CSCC[C@@H](NC(=O)CCc1c(C)c2cc3c(C(C)(C)C)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000011865609 555840446 /nfs/dbraw/zinc/84/04/46/555840446.db2.gz LALMIQJLZNYACA-LJQANCHMSA-N -1 0 473.591 4.709 50 0 JJAARM Cc1ccc(C)c(N2CCN(C(=O)C3CCC(Cn4c(=O)c5ccccc5[n-]c4=S)CC3)CC2)c1 ZINC000020644518 555846510 /nfs/dbraw/zinc/84/65/10/555846510.db2.gz RHOHJXJPRJEWET-UHFFFAOYSA-N -1 0 490.673 4.831 50 0 JJAARM Cc1cccc(N2CCN(C(=O)C3CCC(Cn4c(=O)c5ccccc5[n-]c4=S)CC3)C[C@H]2C)c1 ZINC000020644512 555846549 /nfs/dbraw/zinc/84/65/49/555846549.db2.gz OMWGUADJCRBZDS-ITAUSPCMSA-N -1 0 490.673 4.911 50 0 JJAARM O=C(c1ccc2c(=O)n(Cc3ccc(Cl)cc3)c(=S)[n-]c2c1)N1CCN(c2ccccc2)CC1 ZINC000020645597 555846956 /nfs/dbraw/zinc/84/69/56/555846956.db2.gz RFBOYBAUGVMUSY-UHFFFAOYSA-N -1 0 491.016 4.723 50 0 JJAARM CSc1cccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)c1 ZINC000021931757 555857568 /nfs/dbraw/zinc/85/75/68/555857568.db2.gz HYUJPACDAGNYNH-UHFFFAOYSA-N -1 0 478.393 4.619 50 0 JJAARM O=C([O-])COc1ccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4F)nc3O2)cc1 ZINC000015016596 555857762 /nfs/dbraw/zinc/85/77/62/555857762.db2.gz KNZKJSXJOBAEJM-QHCPKHFHSA-N -1 0 490.516 4.937 50 0 JJAARM CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])C1 ZINC000015446402 555909452 /nfs/dbraw/zinc/90/94/52/555909452.db2.gz XENRQNWROSXSPT-UZUQRXQVSA-N -1 0 480.561 4.625 50 0 JJAARM CC(C)(C)OC(=O)N1CCC([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])CC1 ZINC000015446378 555909522 /nfs/dbraw/zinc/90/95/22/555909522.db2.gz ATJZZVCJRHLAGA-QHCPKHFHSA-N -1 0 480.561 4.625 50 0 JJAARM O=C(COc1ccccc1)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000015506381 555912031 /nfs/dbraw/zinc/91/20/31/555912031.db2.gz BOJKTARDBPFROY-UHFFFAOYSA-N -1 0 451.331 4.812 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)CCC(=O)c2ccc(C)cc2)ccc1C ZINC000015513570 555912395 /nfs/dbraw/zinc/91/23/95/555912395.db2.gz YLLKYOCOJWXCPT-UHFFFAOYSA-N -1 0 466.559 4.714 50 0 JJAARM O=C([O-])c1ccc(CSc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)cc1 ZINC000015723450 555958427 /nfs/dbraw/zinc/95/84/27/555958427.db2.gz IFFRIVDWZIHOEU-IRXDYDNUSA-N -1 0 452.557 4.966 50 0 JJAARM Cc1nc2sc([C@@H](c3ccc(C(C)C)cc3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022852777 555960290 /nfs/dbraw/zinc/96/02/90/555960290.db2.gz ALVOYYSAXDCYIB-HSZRJFAPSA-N -1 0 461.635 4.835 50 0 JJAARM CCc1nc2sc([C@@H](c3ccc(OC)cc3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000022854793 555961489 /nfs/dbraw/zinc/96/14/89/555961489.db2.gz NXCWDIAMVBSJNW-OAQYLSRUSA-N -1 0 484.025 4.632 50 0 JJAARM CCc1nc2sc([C@@H](c3ccc(F)cc3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000022854774 555961505 /nfs/dbraw/zinc/96/15/05/555961505.db2.gz CCMOCTGYIKZQFG-HXUWFJFHSA-N -1 0 471.989 4.763 50 0 JJAARM CCc1nc2sc([C@@H](c3ccccc3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000022854752 555961531 /nfs/dbraw/zinc/96/15/31/555961531.db2.gz BNXUJBXWQXSTOM-HXUWFJFHSA-N -1 0 453.999 4.624 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2C(F)(F)F)cc1 ZINC000022897613 555964490 /nfs/dbraw/zinc/96/44/90/555964490.db2.gz NMAINJCHGUGHFD-UHFFFAOYSA-N -1 0 478.492 4.787 50 0 JJAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@@H](CC)C(=O)Nc2cccc(C(C)=O)c2)[n-]c1=O ZINC000015729190 555969639 /nfs/dbraw/zinc/96/96/39/555969639.db2.gz AUODXQPJGICGAA-FQEVSTJZSA-N -1 0 493.589 4.613 50 0 JJAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@H](CC)C(=O)Nc2cccc(C(C)=O)c2)[n-]c1=O ZINC000015729189 555969667 /nfs/dbraw/zinc/96/96/67/555969667.db2.gz AUODXQPJGICGAA-HXUWFJFHSA-N -1 0 493.589 4.613 50 0 JJAARM CC(=O)Nc1ccc(C(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccc(C)cc4)sc3c2)cc1 ZINC000015729312 555969911 /nfs/dbraw/zinc/96/99/11/555969911.db2.gz AAZPJKIENXIEIC-UHFFFAOYSA-N -1 0 480.571 4.616 50 0 JJAARM CSCC[C@@H](NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000012381660 555970185 /nfs/dbraw/zinc/97/01/85/555970185.db2.gz UBNDVRUDFUYIRH-YLCCHKQJSA-N -1 0 489.037 4.731 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3CC=CCC3)ccc2OC)cc1Br ZINC000015756079 555985185 /nfs/dbraw/zinc/98/51/85/555985185.db2.gz JWLVSQCMXDQNJO-CQSZACIVSA-N -1 0 495.395 4.562 50 0 JJAARM CC[C@@H]1c2ccsc2CCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000012521075 555992409 /nfs/dbraw/zinc/99/24/09/555992409.db2.gz JYSAPICTVRYPLP-HXUWFJFHSA-N -1 0 456.589 4.707 50 0 JJAARM COc1cc(Br)c(S(=O)(=O)[N-]c2ccccc2SCC(F)(F)F)cc1OC ZINC000012541691 556016251 /nfs/dbraw/zinc/01/62/51/556016251.db2.gz OVMBYXFSCGRYMH-UHFFFAOYSA-N -1 0 486.331 4.922 50 0 JJAARM COc1ccc(NC(=O)CC(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000012544890 556021018 /nfs/dbraw/zinc/02/10/18/556021018.db2.gz BJWPLCWZBJXEPL-UHFFFAOYSA-N -1 0 455.374 4.633 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)Cc4ccccc4)cc3C)s2)cc1 ZINC000015862061 556034928 /nfs/dbraw/zinc/03/49/28/556034928.db2.gz GSFKWQDJFYQBQO-UHFFFAOYSA-N -1 0 451.573 4.895 50 0 JJAARM CC(C)(C)c1ccccc1OC(=O)CSc1nc(-c2ccc(Cl)cc2)nc2cc(=O)[nH]n21 ZINC000015862899 556036182 /nfs/dbraw/zinc/03/61/82/556036182.db2.gz SOIUHKINJODLPT-UHFFFAOYSA-N -1 0 468.966 4.733 50 0 JJAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(CCc2nc3ccccc3n2C)c1 ZINC000015870546 556050467 /nfs/dbraw/zinc/05/04/67/556050467.db2.gz VNRZRLQUSGNMEQ-UHFFFAOYSA-N -1 0 455.967 4.821 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)c2cc(Cl)sc2Cl)c1 ZINC000012560561 556052594 /nfs/dbraw/zinc/05/25/94/556052594.db2.gz HMFUHIWUWPEHCS-UHFFFAOYSA-N -1 0 473.359 4.822 50 0 JJAARM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000023428844 556055063 /nfs/dbraw/zinc/05/50/63/556055063.db2.gz RITWZEAJUPTGLM-UHFFFAOYSA-N -1 0 454.567 4.897 50 0 JJAARM CCCCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccc(OC)cc2)cc1 ZINC000023437519 556058597 /nfs/dbraw/zinc/05/85/97/556058597.db2.gz YWTBDSQKXCGZQQ-UHFFFAOYSA-N -1 0 468.575 4.605 50 0 JJAARM COc1ccc(CCNC(=O)c2ccc(Cl)cc2[N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000023443214 556061186 /nfs/dbraw/zinc/06/11/86/556061186.db2.gz YUNNHRDSAPGUBE-UHFFFAOYSA-N -1 0 472.994 4.739 50 0 JJAARM COc1ccc(NC(=O)[C@@H](C)Sc2ccccc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000015900812 556062347 /nfs/dbraw/zinc/06/23/47/556062347.db2.gz JQQWWQLLSVWVBH-OAHLLOKOSA-N -1 0 460.552 4.754 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(NC(=O)[C@H](C)Sc2ccccc2)c1 ZINC000012585068 556082734 /nfs/dbraw/zinc/08/27/34/556082734.db2.gz BSIGRWDOJIMUOP-KRWDZBQOSA-N -1 0 456.589 4.924 50 0 JJAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(NC(=O)c2cccs2)c1 ZINC000024103239 556121595 /nfs/dbraw/zinc/12/15/95/556121595.db2.gz YILFWYVDPURMDE-UHFFFAOYSA-N -1 0 481.393 4.962 50 0 JJAARM COc1cccc(-c2[n-]n(-c3ccc(C)cc3)c(=O)c2C=C2NC(=O)N(Cc3ccc(C)cc3)C2=O)c1 ZINC000016534128 556142469 /nfs/dbraw/zinc/14/24/69/556142469.db2.gz GHNRDNAEPZDTOL-XYGWBWBKSA-N -1 0 494.551 4.963 50 0 JJAARM O=C([O-])Cc1csc(SCC(=O)N(Cc2ccc(F)cc2)C23CC4CC(CC(C4)C2)C3)n1 ZINC000012925374 556143679 /nfs/dbraw/zinc/14/36/79/556143679.db2.gz PXBBCUBKYZBNMX-UHFFFAOYSA-N -1 0 474.623 4.999 50 0 JJAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(-c2ccc(N3CCCCC3)nn2)cc1 ZINC000016960141 556190408 /nfs/dbraw/zinc/19/04/08/556190408.db2.gz HWZYKVPDECZRLP-UHFFFAOYSA-N -1 0 458.971 4.597 50 0 JJAARM O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@@H]32)C(=O)N1c1cccc(Cl)c1 ZINC000016995880 556198917 /nfs/dbraw/zinc/19/89/17/556198917.db2.gz MEMLXVXUIUMILA-YIXXDRMTSA-N -1 0 486.959 4.701 50 0 JJAARM COc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(Nc2nc(C)cc(N(C)C)n2)cc1 ZINC000017013634 556203466 /nfs/dbraw/zinc/20/34/66/556203466.db2.gz JISVUZLFXQTONW-UHFFFAOYSA-N -1 0 469.611 4.702 50 0 JJAARM C[C@H](SCc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)C(=O)NCc1cccs1 ZINC000025689189 556229786 /nfs/dbraw/zinc/22/97/86/556229786.db2.gz CDQOLDVLDILZTO-LBPRGKRZSA-N -1 0 459.593 4.790 50 0 JJAARM COc1ccccc1N(CC(F)(F)F)C(=O)COc1c(Cl)cc(C(=O)[O-])cc1Cl ZINC000013043831 556249830 /nfs/dbraw/zinc/24/98/30/556249830.db2.gz YYDXXLAGKHQQCP-UHFFFAOYSA-N -1 0 452.212 4.675 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3oc(C)nc3c2)ccc1C ZINC000027012837 556268201 /nfs/dbraw/zinc/26/82/01/556268201.db2.gz YIMUCBIRZMEYMY-UHFFFAOYSA-N -1 0 451.504 4.506 50 0 JJAARM Cc1c(Cl)c([O-])c(Cl)c(C)c1N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000027521396 556284476 /nfs/dbraw/zinc/28/44/76/556284476.db2.gz GWUDAJDLIYVKMX-UHFFFAOYSA-N -1 0 486.398 4.900 50 0 JJAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cc3c(cc2Sc2ccccc2)n(C)c(=O)n3C)c1 ZINC000028049141 556313906 /nfs/dbraw/zinc/31/39/06/556313906.db2.gz XSOFASGPUFTVOP-UHFFFAOYSA-N -1 0 467.616 4.754 50 0 JJAARM Cn1c2cc([N-]S(=O)(=O)c3ccc(Cl)s3)c(SC3CCCCC3)cc2n(C)c1=O ZINC000028049221 556314233 /nfs/dbraw/zinc/31/42/33/556314233.db2.gz QDFVTSVGMVVBGA-UHFFFAOYSA-N -1 0 472.057 4.818 50 0 JJAARM Cc1cc(N2CCN([C@@H](C(=O)[O-])c3c[nH]c4ccc(Br)cc43)CC2)nc2ccccc12 ZINC000031807651 556405304 /nfs/dbraw/zinc/40/53/04/556405304.db2.gz BYQRPQUJKUUCPJ-HSZRJFAPSA-N -1 0 479.378 4.735 50 0 JJAARM CCc1cccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3)c(=O)[n-]2)c1 ZINC000032948544 556564368 /nfs/dbraw/zinc/56/43/68/556564368.db2.gz QLVGKMBUNPQDCT-UHFFFAOYSA-N -1 0 454.602 4.798 50 0 JJAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1cc(Cl)c(OC)cc1OC ZINC000008605304 562946680 /nfs/dbraw/zinc/94/66/80/562946680.db2.gz XHVNBGGZAUNINI-UHFFFAOYSA-N -1 0 481.979 4.982 50 0 aggregator JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)Nc2ccccc2OC)ccc1Cl ZINC000008686735 562953018 /nfs/dbraw/zinc/95/30/18/562953018.db2.gz ORYPYYCMNHQXGU-UHFFFAOYSA-N -1 0 461.927 4.802 50 0 JJAARM COCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc21 ZINC000008439276 569589749 /nfs/dbraw/zinc/58/97/49/569589749.db2.gz SRLQFKUIISMELA-UHFFFAOYSA-N -1 0 458.319 4.652 50 0 JJAARM Cc1ccc(-n2c(=O)c(C)c([O-])nc2SCC(=O)Nc2ccc3c4c(cccc42)CC3)cc1 ZINC000008683698 569593026 /nfs/dbraw/zinc/59/30/26/569593026.db2.gz GKBYAPSERXSPHK-UHFFFAOYSA-N -1 0 457.555 4.538 50 0 JJAARM Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000008717910 569596879 /nfs/dbraw/zinc/59/68/79/569596879.db2.gz NOBAACVAGYKVLN-UHFFFAOYSA-N -1 0 450.545 4.567 50 0 JJAARM CCOc1ccc(Oc2ccccc2[N-]S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1 ZINC000008718357 569597076 /nfs/dbraw/zinc/59/70/76/569597076.db2.gz FPZATVAXHSUBKW-UHFFFAOYSA-N -1 0 456.520 4.645 50 0 JJAARM Cc1nc2sccn2c1C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000008725016 569600054 /nfs/dbraw/zinc/60/00/54/569600054.db2.gz JYOFXZTVNMPIFR-UHFFFAOYSA-N -1 0 465.478 4.755 50 0 JJAARM COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c(OC)c1 ZINC000008725657 569600298 /nfs/dbraw/zinc/60/02/98/569600298.db2.gz RGAFUXALMULQCL-UHFFFAOYSA-N -1 0 480.464 4.776 50 0 JJAARM Cc1cccc(N2CCN(c3ccc(NS(=O)(=O)c4cc(C)cc(C)c4)cc3C(=O)[O-])C[C@H]2C)c1 ZINC000032962123 569602911 /nfs/dbraw/zinc/60/29/11/569602911.db2.gz JXAMPTCYKIMJLK-OAQYLSRUSA-N -1 0 493.629 4.826 50 0 JJAARM O=C([O-])c1cc(NS(=O)(=O)c2ccc(Br)cc2)ccc1N1CCCCCCC1 ZINC000032962170 569603002 /nfs/dbraw/zinc/60/30/02/569603002.db2.gz XJLCARGTAUEXJO-UHFFFAOYSA-N -1 0 467.385 4.719 50 0 JJAARM COc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)cc(OC)c1OC ZINC000061721077 569609050 /nfs/dbraw/zinc/60/90/50/569609050.db2.gz XPDKPJLHBDZKLK-AWEZNQCLSA-N -1 0 457.479 4.752 50 0 JJAARM COc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(Cl)cc2)cc(OC)c1O ZINC000061718133 569609097 /nfs/dbraw/zinc/60/90/97/569609097.db2.gz DYSQIXGIFSYLFH-ZDUSSCGKSA-N -1 0 459.907 4.964 50 0 JJAARM CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4ccccc4)CC3)cc2C(=O)[O-])cc1 ZINC000033007012 569615271 /nfs/dbraw/zinc/61/52/71/569615271.db2.gz HMFLICNXOONOLR-UHFFFAOYSA-N -1 0 493.629 4.711 50 0 JJAARM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000064557898 569618373 /nfs/dbraw/zinc/61/83/73/569618373.db2.gz UZMJVYFSWYXONI-QFIPXVFZSA-N -1 0 477.538 4.503 50 0 JJAARM O=C([O-])c1cc(N2CCN(c3ccc(Cl)cc3)CC2)ccc1NC(=O)c1ccc(F)cc1 ZINC000064589431 569621050 /nfs/dbraw/zinc/62/10/50/569621050.db2.gz ZMMPBLYWGFQWTI-UHFFFAOYSA-N -1 0 453.901 4.756 50 0 JJAARM O=C([O-])c1cc(N2CCN(Cc3ccccc3F)CC2)ccc1NC(=O)c1cccc(Cl)c1 ZINC000064590315 569621416 /nfs/dbraw/zinc/62/14/16/569621416.db2.gz LHLAYRCOQXNDFD-UHFFFAOYSA-N -1 0 467.928 4.752 50 0 JJAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(C)cc2C)[n-]c1=O ZINC000064774531 569626513 /nfs/dbraw/zinc/62/65/13/569626513.db2.gz AQHAACOZPHLASO-INIZCTEOSA-N -1 0 465.579 4.556 50 0 JJAARM CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2cc(C)cc(C)c2NC(C)=O)c(=O)[n-]1 ZINC000064774495 569626520 /nfs/dbraw/zinc/62/65/20/569626520.db2.gz UHFUSYCKRAZULS-UHFFFAOYSA-N -1 0 479.606 4.675 50 0 JJAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(C)c(Cl)c2)[n-]c1=O ZINC000064774517 569626564 /nfs/dbraw/zinc/62/65/64/569626564.db2.gz XDZLNDKUSDQJQN-AWEZNQCLSA-N -1 0 485.997 4.901 50 0 JJAARM CC[C@@H](Sc1nnc(-c2cc(C)cc(C)c2NC(C)=O)c(=O)[n-]1)C(=O)Nc1ccc(Cl)cc1 ZINC000064774551 569626662 /nfs/dbraw/zinc/62/66/62/569626662.db2.gz BDUJWLLSKKRHDO-GOSISDBHSA-N -1 0 485.997 4.982 50 0 JJAARM Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3NC(=O)C(C)C)c(=O)[n-]2)cc1C ZINC000064774631 569626841 /nfs/dbraw/zinc/62/68/41/569626841.db2.gz GZLSJTMDNFLGHR-MRXNPFEDSA-N -1 0 465.579 4.575 50 0 JJAARM O=C(CSc1nnc(-c2ccccc2NC(=O)c2ccccc2)c(=O)[n-]1)Nc1ccc(Cl)cc1 ZINC000064774737 569627045 /nfs/dbraw/zinc/62/70/45/569627045.db2.gz GTKVTONHDPLAJF-UHFFFAOYSA-N -1 0 491.960 4.881 50 0 JJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2cc(OC)c(OC)c(OC)c2)CC(=O)N3)cc1 ZINC000064796925 569630248 /nfs/dbraw/zinc/63/02/48/569630248.db2.gz RCYYARCDLSNMRM-OAHLLOKOSA-N -1 0 469.515 4.622 50 0 JJAARM COc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)c(OC)c1OC ZINC000064797377 569630346 /nfs/dbraw/zinc/63/03/46/569630346.db2.gz HZOPCAPCRMGXRN-CQSZACIVSA-N -1 0 457.479 4.752 50 0 JJAARM COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)[N-]c1ccc(Br)c(C)c1 ZINC000064837408 569637114 /nfs/dbraw/zinc/63/71/14/569637114.db2.gz NVCMOSLFCIKSPI-UHFFFAOYSA-N -1 0 451.342 4.839 50 0 JJAARM Cc1ccc(N2CCCN(Cc3cccc(F)c3)C2=O)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000034737745 569654573 /nfs/dbraw/zinc/65/45/73/569654573.db2.gz CZVSRMQCAKHYLE-UHFFFAOYSA-N -1 0 453.539 4.767 50 0 JJAARM O=C(NC1CCC1)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000065059829 569655011 /nfs/dbraw/zinc/65/50/11/569655011.db2.gz LTLBBEMJCMETSM-UHFFFAOYSA-N -1 0 463.968 4.672 50 0 JJAARM CCCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000065059847 569655039 /nfs/dbraw/zinc/65/50/39/569655039.db2.gz LRNNONRUKASQJP-UHFFFAOYSA-N -1 0 451.957 4.529 50 0 JJAARM COc1cc(-c2nnc(CCC(=O)NCC3CCCCC3)c(=O)[n-]2)ccc1OCc1ccc(F)cc1 ZINC000034766372 569658496 /nfs/dbraw/zinc/65/84/96/569658496.db2.gz XSDLDJPSYGAKPS-UHFFFAOYSA-N -1 0 494.567 4.600 50 0 JJAARM O=C(CCc1nnc(-c2cccc(C(F)(F)F)c2)[n-]c1=O)NCc1cccc(C(F)(F)F)c1 ZINC000034767563 569658745 /nfs/dbraw/zinc/65/87/45/569658745.db2.gz JFVAJYQBUCWLEZ-UHFFFAOYSA-N -1 0 470.373 4.531 50 0 JJAARM Cc1nnc2c(Oc3ccc([N-]S(=O)(=O)c4ccc(Cl)s4)cc3)nc3ccccc3n12 ZINC000065096433 569660909 /nfs/dbraw/zinc/66/09/09/569660909.db2.gz FAKYLTKGDSZGEA-UHFFFAOYSA-N -1 0 471.951 4.894 50 0 JJAARM CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c1 ZINC000065116107 569666191 /nfs/dbraw/zinc/66/61/91/569666191.db2.gz MFRNYRWWDBJXLO-UHFFFAOYSA-N -1 0 463.943 4.634 50 0 JJAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)sc1C(=O)N1CCCC1 ZINC000065116855 569666702 /nfs/dbraw/zinc/66/67/02/569666702.db2.gz ASJGCWJPIFSXSM-UHFFFAOYSA-N -1 0 468.025 4.870 50 0 JJAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3c(C)cccc3C)c2)sc1C(=O)N1CCCC1 ZINC000065116876 569666716 /nfs/dbraw/zinc/66/67/16/569666716.db2.gz ITALXGCLEBUXMT-UHFFFAOYSA-N -1 0 461.634 4.834 50 0 JJAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)sc1C(=O)N1CCCC1 ZINC000065116937 569666870 /nfs/dbraw/zinc/66/68/70/569666870.db2.gz RQDJFSHGUBHPJE-UHFFFAOYSA-N -1 0 461.634 4.834 50 0 JJAARM CCC(=O)Nc1ccccc1-c1nnc(S[C@H](CC)C(=O)Nc2cccc(CC)c2)[n-]c1=O ZINC000035378004 569685673 /nfs/dbraw/zinc/68/56/73/569685673.db2.gz LBNSOYUOAIXWBO-LJQANCHMSA-N -1 0 465.579 4.665 50 0 JJAARM CCC(=O)Nc1ccccc1-c1nnc(S[C@@H](CC)C(=O)Nc2cccc(CC)c2)[n-]c1=O ZINC000035378006 569685829 /nfs/dbraw/zinc/68/58/29/569685829.db2.gz LBNSOYUOAIXWBO-IBGZPJMESA-N -1 0 465.579 4.665 50 0 JJAARM Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3NC(=O)c3ccccc3)c(=O)[n-]2)cc1 ZINC000035378066 569685870 /nfs/dbraw/zinc/68/58/70/569685870.db2.gz RTTFPQWICPMSNI-UHFFFAOYSA-N -1 0 471.542 4.536 50 0 JJAARM Cc1cc(C)cc(S(=O)(=O)Nc2cnc(N3CC=C(c4ccccc4C)CC3)c(C(=O)[O-])c2)c1 ZINC000035397809 569688466 /nfs/dbraw/zinc/68/84/66/569688466.db2.gz MGIUFVRYINFAKI-UHFFFAOYSA-N -1 0 477.586 4.800 50 0 JJAARM COc1ccc(-c2nc3c(c(N4CCC(C(=O)[O-])CC4)n2)Cc2cc(Br)ccc2O3)cc1 ZINC000067341968 569688513 /nfs/dbraw/zinc/68/85/13/569688513.db2.gz MOLLWKHLKBESOC-UHFFFAOYSA-N -1 0 496.361 4.912 50 0 JJAARM CC(=O)Nc1ccc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1C(=O)[O-] ZINC000035422762 569692934 /nfs/dbraw/zinc/69/29/34/569692934.db2.gz LDMSBGKFWQVRDR-UHFFFAOYSA-N -1 0 465.500 4.533 50 0 JJAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cc3ccccc3)cc2)nc(C)n1 ZINC000069454625 569693075 /nfs/dbraw/zinc/69/30/75/569693075.db2.gz JQQOFDQVLISVHQ-UHFFFAOYSA-N -1 0 472.570 4.737 50 0 JJAARM Cc1noc(C)c1CCN(C)c1ccc(NC(=O)c2ccc(Br)cc2)cc1C(=O)[O-] ZINC000035510987 569698262 /nfs/dbraw/zinc/69/82/62/569698262.db2.gz TYCNKXDITXTNPP-UHFFFAOYSA-N -1 0 472.339 4.683 50 0 JJAARM COc1ccc2nc(Cl)c([C@@H]3CC(c4ccc(F)cc4)=NN3C(=O)CCC(=O)[O-])cc2c1 ZINC000079047229 569706748 /nfs/dbraw/zinc/70/67/48/569706748.db2.gz RMQSSSZQZMYFBN-FQEVSTJZSA-N -1 0 455.873 4.578 50 0 JJAARM Cc1ccc2c(c1)[nH]c(=O)c(C1=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccco3)C1)c2-c1ccccc1 ZINC000079047045 569706756 /nfs/dbraw/zinc/70/67/56/569706756.db2.gz WKHQXNZNNLEKKA-OAQYLSRUSA-N -1 0 469.497 4.639 50 0 JJAARM COc1ccccc1-c1[n-]n(-c2ccc(C)cc2)c(=O)c1C=C1NC(=O)N(Cc2ccccc2C)C1=O ZINC000035829479 569712878 /nfs/dbraw/zinc/71/28/78/569712878.db2.gz BNDMAZWJIZFQAT-JLPGSUDCSA-N -1 0 494.551 4.963 50 0 JJAARM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3ccc(O)c(Cl)c3)CC(=O)O4)c2=O)cc1 ZINC000085878667 569716192 /nfs/dbraw/zinc/71/61/92/569716192.db2.gz UTMSCRMJLVCNRR-OAHLLOKOSA-N -1 0 464.857 4.974 50 0 biogenic JJAARM COC(=O)C[C@H](c1coc2ccccc2c1=O)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096114785 569733805 /nfs/dbraw/zinc/73/38/05/569733805.db2.gz RTUKPBVDKUGVKY-QGZVFWFLSA-N -1 0 484.460 4.673 50 0 biogenic JJAARM COC(=O)C[C@H](c1ccc(F)c(F)c1F)c1c(=O)cc([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096117396 569735849 /nfs/dbraw/zinc/73/58/49/569735849.db2.gz GHXAKZKTWSJJHC-CQSZACIVSA-N -1 0 470.399 4.984 50 0 JJAARM COC(=O)C[C@@H](c1cc(F)c(F)c(F)c1)c1c(=O)cc([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096118432 569736101 /nfs/dbraw/zinc/73/61/01/569736101.db2.gz BPMYYQLYFKYTPG-AWEZNQCLSA-N -1 0 470.399 4.984 50 0 JJAARM CC(C)(C)C1CCC(NC(=O)CCC(=O)[O-])(c2nnnn2C(c2ccccc2)c2ccccc2)CC1 ZINC000096592532 569742150 /nfs/dbraw/zinc/74/21/50/569742150.db2.gz RVTXJBIDPSCZCN-UHFFFAOYSA-N -1 0 489.620 4.723 50 0 JJAARM CCOC(=O)C1=C(C)NC(SCc2ccc(C(=O)[O-])cc2)=N[C@H]1c1ccc(OCC)cc1 ZINC000100229625 569755973 /nfs/dbraw/zinc/75/59/73/569755973.db2.gz GDXSVTNYGYCNSO-NRFANRHFSA-N -1 0 454.548 4.554 50 0 JJAARM CCCCCn1c(=O)c(C(=O)Nc2ccc(I)cc2)c([O-])c2ccccc21 ZINC000100498502 569762608 /nfs/dbraw/zinc/76/26/08/569762608.db2.gz AXZBWYOYUVFNDG-UHFFFAOYSA-N -1 0 476.314 4.754 50 0 JJAARM CCCn1c(=O)c(C(=O)Nc2nc3ccc(Br)cc3s2)c([O-])c2ccccc21 ZINC000100705520 569767251 /nfs/dbraw/zinc/76/72/51/569767251.db2.gz FPPXMMYIPQZQAA-UHFFFAOYSA-N -1 0 458.337 4.742 50 0 JJAARM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000100722368 569767933 /nfs/dbraw/zinc/76/79/33/569767933.db2.gz IPPSRKGTQIMDNV-YPAWHYETSA-N -1 0 479.330 4.509 50 0 JJAARM O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCC(c3nc4ccccc4o3)CC2)c2ccc(Cl)cc21 ZINC000036357437 569771975 /nfs/dbraw/zinc/77/19/75/569771975.db2.gz BPXDEASGQJXKOI-JOCHJYFZSA-N -1 0 467.909 4.526 50 0 JJAARM Cc1ccc(N2C(=O)[N-]C(=O)C(=C(NCc3ccccc3C(F)(F)F)Nc3ccccc3)C2=O)cc1 ZINC000101382581 569795442 /nfs/dbraw/zinc/79/54/42/569795442.db2.gz YMVNHEZWJPDLGD-DQRAZIAOSA-N -1 0 494.473 4.710 50 0 JJAARM COc1ccc([C@H]2CC(c3c([O-])[nH]c(=S)n(C)c3=O)=Nc3ccccc3S2)c(OC)c1 ZINC000101494744 569800163 /nfs/dbraw/zinc/80/01/63/569800163.db2.gz ZZJZFUKPIXOZBU-GOSISDBHSA-N -1 0 455.561 4.524 50 0 JJAARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1CCC(=O)NCc1ccccc1 ZINC000101501751 569800979 /nfs/dbraw/zinc/80/09/79/569800979.db2.gz KMIHYBMKKAQCQL-UHFFFAOYSA-N -1 0 452.967 4.912 50 0 JJAARM COc1ccccc1-n1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@H](c3cccs3)C2)c1=O ZINC000101766745 569804661 /nfs/dbraw/zinc/80/46/61/569804661.db2.gz DQUNWUXKQNPHJK-FQEVSTJZSA-N -1 0 477.567 4.659 50 0 JJAARM Cc1cc(C)cc(-n2c(=O)[nH]c([O-])c(C3=Nc4ccccc4S[C@H](c4cccc(O)c4)C3)c2=O)c1 ZINC000101766833 569805046 /nfs/dbraw/zinc/80/50/46/569805046.db2.gz GNDHZTYLQINGJF-QHCPKHFHSA-N -1 0 485.565 4.912 50 0 JJAARM COc1ccc(NC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(C)c(C)c5)nc-4c3c2)cc1OC ZINC000101827955 569805384 /nfs/dbraw/zinc/80/53/84/569805384.db2.gz DHYUDINFRQEPMS-UHFFFAOYSA-N -1 0 468.513 4.705 50 0 JJAARM Cc1[n-]n(-c2nc(-c3ccc(F)cc3)cs2)c(=O)c1CCC(=O)N(C)Cc1ccccc1 ZINC000101833034 569805695 /nfs/dbraw/zinc/80/56/95/569805695.db2.gz CICMPCLXWKNLLZ-UHFFFAOYSA-N -1 0 450.539 4.740 50 0 JJAARM O=C(CSc1nc([O-])c(Cc2ccccc2)c(=O)n1-c1ccccc1)Nc1ccc(Cl)cc1 ZINC000102540888 569814120 /nfs/dbraw/zinc/81/41/20/569814120.db2.gz HWKLZEZSOXALSR-UHFFFAOYSA-N -1 0 477.973 4.913 50 0 JJAARM COc1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000040058624 569815179 /nfs/dbraw/zinc/81/51/79/569815179.db2.gz MGLIACDMSWPQED-UHFFFAOYSA-N -1 0 474.941 4.959 50 0 JJAARM C[C@@H]1CCC[C@H](NC(=O)CCCn2c(=O)c3cc(Br)ccc3[n-]c2=S)[C@H]1C ZINC000102858461 569824813 /nfs/dbraw/zinc/82/48/13/569824813.db2.gz WUDCCMITBVORMP-WWGRRREGSA-N -1 0 452.418 4.543 50 0 JJAARM CC(=O)N1c2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)c(Br)cc2C[C@@H]1C ZINC000040450586 569828692 /nfs/dbraw/zinc/82/86/92/569828692.db2.gz ZFWBEXUULYADCB-NSHDSACASA-N -1 0 457.777 4.509 50 0 JJAARM COc1ccc(CCN2C(=O)C(=O)C(c3ccc(C)cc3)[C@@H]2c2ccc(C(=O)[O-])cc2)cc1OC ZINC000045942059 569840700 /nfs/dbraw/zinc/84/07/00/569840700.db2.gz LXFWFNASFHLWAM-VWLOTQADSA-N -1 0 473.525 4.806 50 0 JJAARM CC(C)(C)OC(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000052508234 569852343 /nfs/dbraw/zinc/85/23/43/569852343.db2.gz IOLBCFZNMMGGCA-ZHRRBRCNSA-N -1 0 466.534 4.583 50 0 JJAARM N=C(S[C@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 ZINC000135676104 569864435 /nfs/dbraw/zinc/86/44/35/569864435.db2.gz IPYVDRZOMIZEKU-GOTSBHOMSA-N -1 0 498.564 4.536 50 0 JJAARM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccccc2C)c(OC)c1 ZINC000138598549 569866019 /nfs/dbraw/zinc/86/60/19/569866019.db2.gz OUCXTBPREUSLHD-RBZQAINGSA-N -1 0 478.932 4.717 50 0 JJAARM COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(OC)c(OC)c2C(=O)[O-])cc1 ZINC000245255045 570059879 /nfs/dbraw/zinc/05/98/79/570059879.db2.gz FADJYTMLKZWTQA-IBVKSMDESA-N -1 0 490.512 4.662 50 0 JJAARM CCOc1ccc(C(C)N=Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000245263559 570060947 /nfs/dbraw/zinc/06/09/47/570060947.db2.gz ASJMLZUKSYITKL-UHFFFAOYSA-N -1 0 484.534 4.639 50 0 JJAARM COc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4c(F)cccc4Cl)[C@H]3C2=O)c1 ZINC000245310032 570062963 /nfs/dbraw/zinc/06/29/63/570062963.db2.gz GTHLNEAZSXTCLN-YPAWHYETSA-N -1 0 452.869 4.539 50 0 JJAARM O=C([O-])c1cccc([N+](=O)[O-])c1C(=O)Oc1ccc([N+](=O)[O-])cc1C=Nc1cnc2ccccc2c1 ZINC000252641114 570090403 /nfs/dbraw/zinc/09/04/03/570090403.db2.gz YZRXOQVLEROUHU-UHFFFAOYSA-N -1 0 486.396 4.719 50 0 JJAARM CCCCCCc1c(C)c2ccc(OCC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c(C)c2oc1=O ZINC000253394037 570095782 /nfs/dbraw/zinc/09/57/82/570095782.db2.gz VWOOUTZXHHVCRN-MXVIHJGJSA-N -1 0 471.594 4.919 50 0 JJAARM COc1cc([C@H]2CC(=O)Oc3c4c(cc(C)c32)oc(=O)cc4-c2ccccc2)ccc1OCC(=O)[O-] ZINC000253412380 570097986 /nfs/dbraw/zinc/09/79/86/570097986.db2.gz QUWHRERQWXSXLV-LJQANCHMSA-N -1 0 486.476 4.681 50 0 JJAARM O=C(C[C@@H](c1ccc2c(c1)OCO2)c1c(=O)oc2ccccc2c1[O-])NCCc1c[nH]c2ccccc12 ZINC000253470653 570099034 /nfs/dbraw/zinc/09/90/34/570099034.db2.gz VNLJZYLUSHPOJT-NRFANRHFSA-N -1 0 496.519 4.590 50 0 JJAARM CC(=O)O[C@@H]1CC[C@]2(C)[C@H](C1)C[C@@H](OC(C)=O)[C@H]1[C@@H]3CC[C@@H]([C@@H](C)CCC(=O)[O-])[C@@]3(C)[C@@H](O)C[C@@H]12 ZINC000257347243 570152074 /nfs/dbraw/zinc/15/20/74/570152074.db2.gz BKPNMUHLOXZELU-DGFZNNSXSA-N -1 0 492.653 4.590 50 0 JJAARM Cc1cc2oc(=O)c3c(c2c2c1[C@H](c1ccc(-c4ccc(C(=O)[O-])cc4)o1)CC(=O)O2)CCC3 ZINC000263585119 570170954 /nfs/dbraw/zinc/17/09/54/570170954.db2.gz FHTDSUOIESOUSH-SFHVURJKSA-N -1 0 456.450 4.989 50 0 JJAARM COc1cc(OC)c([C@@H]2CC(=O)Oc3ccc(C(=O)c4ccc(Cl)cc4)c([O-])c32)cc1OC ZINC000263586355 570171792 /nfs/dbraw/zinc/17/17/92/570171792.db2.gz SWUMHEUQMMGUOL-KRWDZBQOSA-N -1 0 468.889 4.743 50 0 JJAARM CCOc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000022627108 126344569 /nfs/dbraw/zinc/34/45/69/126344569.db2.gz GFGFOJPIKLCDGT-OAQYLSRUSA-N -1 0 484.025 4.769 50 0 JJAARM COC(=O)c1c([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)sc(C)c1-c1ccc(C)cc1 ZINC000001000860 194000887 /nfs/dbraw/zinc/00/08/87/194000887.db2.gz QIMZYGWBDHAMED-UHFFFAOYSA-N -1 0 458.561 4.578 50 0 JJAARM O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(C(F)(F)F)cc1 ZINC000001075637 194017963 /nfs/dbraw/zinc/01/79/63/194017963.db2.gz CDKUPDNMADFJPC-UHFFFAOYSA-N -1 0 478.448 4.530 50 0 JJAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)nc(C)n1 ZINC000001115210 194029346 /nfs/dbraw/zinc/02/93/46/194029346.db2.gz WKQFMUNDMKXYAD-UHFFFAOYSA-N -1 0 472.570 4.665 50 0 JJAARM CCOc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000001146442 194048099 /nfs/dbraw/zinc/04/80/99/194048099.db2.gz XZLMKHYVIUKUPZ-UHFFFAOYSA-N -1 0 477.546 4.531 50 0 JJAARM O=C1[N-]C(=O)[C@@](CCc2ccncc2)(Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1F ZINC000001130781 194039168 /nfs/dbraw/zinc/03/91/68/194039168.db2.gz VRPXTZUEZFQOBF-XMMPIXPASA-N -1 0 486.330 4.972 50 0 JJAARM O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000001132531 194040162 /nfs/dbraw/zinc/04/01/62/194040162.db2.gz CBBIZTYETWQQCL-UHFFFAOYSA-N -1 0 483.571 4.586 50 0 JJAARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OCC(=O)Nc3cccc(C)c3)C2=O)cc1 ZINC000001139072 194043580 /nfs/dbraw/zinc/04/35/80/194043580.db2.gz XVRAICQEVBUOJN-JCMHNJIXSA-N -1 0 485.496 4.528 50 0 JJAARM COc1ccc2cc([C@@H]3CC(c4ccc(C)cc4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc2c1 ZINC000001250731 194079875 /nfs/dbraw/zinc/07/98/75/194079875.db2.gz LUCRQMOPXSSAIZ-NRFANRHFSA-N -1 0 451.910 4.748 50 0 JJAARM COc1ccc(Cn2cnc3c2cc(C)c(C)c3[N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000001391890 194114262 /nfs/dbraw/zinc/11/42/62/194114262.db2.gz PEICBRYYOYNKPU-UHFFFAOYSA-N -1 0 451.548 4.519 50 0 JJAARM COc1ccc(S(=O)(=O)[N-]c2c3ncn(Cc4cccc(OC)c4)c3cc(C)c2C)cc1 ZINC000001391906 194114271 /nfs/dbraw/zinc/11/42/71/194114271.db2.gz HOSVUVKLNKSVIO-UHFFFAOYSA-N -1 0 451.548 4.519 50 0 JJAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)s1 ZINC000001514230 194127009 /nfs/dbraw/zinc/12/70/09/194127009.db2.gz SMTOWMOZRYCYIC-UHFFFAOYSA-N -1 0 472.379 4.852 50 0 JJAARM Cc1c2oc3c(c2cc2c(C)c(CCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(=O)oc12)CCCC3 ZINC000002153576 194157725 /nfs/dbraw/zinc/15/77/25/194157725.db2.gz VNNKWAZGNNQDCX-FQEVSTJZSA-N -1 0 453.535 4.583 50 0 biogenic JJAARM COc1ccccc1-n1c(=O)c2sc(=S)n(-c3ccc(C)c(C)c3)c2nc1SCC(=O)[O-] ZINC000003026476 194211516 /nfs/dbraw/zinc/21/15/16/194211516.db2.gz KGWGVXZWIUGFLP-UHFFFAOYSA-N -1 0 485.612 4.770 50 0 JJAARM CCc1ccc(-n2c3nc(SCC(=O)Nc4cccc(OC)c4)[n-]c(=O)c3sc2=S)cc1 ZINC000003027146 194211698 /nfs/dbraw/zinc/21/16/98/194211698.db2.gz TXBQCDZBWPDUJG-UHFFFAOYSA-N -1 0 484.628 4.807 50 0 JJAARM CCOc1ccccc1-n1c2nc(SCC(=O)[O-])n(-c3ccccc3)c(=O)c2sc1=S ZINC000003019042 194208592 /nfs/dbraw/zinc/20/85/92/194208592.db2.gz ACMPCJAVTTZEBS-UHFFFAOYSA-N -1 0 471.585 4.543 50 0 JJAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccccc2OC(F)F)cc1 ZINC000003169382 194233614 /nfs/dbraw/zinc/23/36/14/194233614.db2.gz HETXGHTTWXUKCO-UHFFFAOYSA-N -1 0 499.499 4.734 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]C(=O)N(c2ccc(Br)cc2)C2=NCCCCC2)cc1 ZINC000003206484 194239005 /nfs/dbraw/zinc/23/90/05/194239005.db2.gz WBGZLIICPURLNO-UHFFFAOYSA-N -1 0 464.385 4.635 50 0 JJAARM COc1ccc(-c2nn(-c3ccccc3)cc2CN(Cc2ccc(F)cc2)C(=O)/C=C/C(=O)[O-])cc1 ZINC000003277779 194260649 /nfs/dbraw/zinc/26/06/49/194260649.db2.gz MGRQUXPPFSKQOH-FOCLMDBBSA-N -1 0 485.515 4.857 50 0 JJAARM O=C(Nc1ccccc1F)c1cc(C(=O)c2cc(Cl)ccc2[O-])cn(-c2ccccc2F)c1=O ZINC000003291553 194267456 /nfs/dbraw/zinc/26/74/56/194267456.db2.gz UMSLQPLZJYTODM-UHFFFAOYSA-N -1 0 480.854 4.958 50 0 JJAARM O=C(CSc1ccc2ccccc2c1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000003319007 194280252 /nfs/dbraw/zinc/28/02/52/194280252.db2.gz DTNCVGYDLSNOSL-UHFFFAOYSA-N -1 0 455.586 4.828 50 0 JJAARM O=C(c1cc(C(=O)N2CCCC2)c2nc3scc(-c4ccccc4)c3c(=O)n2c1)c1ccccc1[O-] ZINC000003338831 194289382 /nfs/dbraw/zinc/28/93/82/194289382.db2.gz DLAQJVSNKQALGY-UHFFFAOYSA-N -1 0 495.560 4.749 50 0 JJAARM O=C([O-])C[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1Cl ZINC000003342401 194291209 /nfs/dbraw/zinc/29/12/09/194291209.db2.gz KIANTSHVUUQFMW-CQSZACIVSA-N -1 0 475.794 4.872 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1F ZINC000003363659 194301826 /nfs/dbraw/zinc/30/18/26/194301826.db2.gz DINPOGFYRCATGU-UHFFFAOYSA-N -1 0 452.866 4.680 50 0 JJAARM COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)NC3CCCCCC3)ccc2OC)cc1Cl ZINC000003491273 194332892 /nfs/dbraw/zinc/33/28/92/194332892.db2.gz YYNPWOHINFYIFX-UHFFFAOYSA-N -1 0 497.013 4.619 50 0 JJAARM COc1ccc(C(=O)NC2CCCCCC2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000003491275 194332942 /nfs/dbraw/zinc/33/29/42/194332942.db2.gz OVGMLGUDHKCYNI-UHFFFAOYSA-N -1 0 481.412 4.711 50 0 JJAARM CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000004284384 194386946 /nfs/dbraw/zinc/38/69/46/194386946.db2.gz VJLMKRMQAHWPID-SBUREZEXSA-N -1 0 480.561 4.768 50 0 JJAARM CCn1c(CSCc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000004644022 194393115 /nfs/dbraw/zinc/39/31/15/194393115.db2.gz IHLSLEOHEGCJRF-UHFFFAOYSA-N -1 0 477.011 4.814 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-][S@@](=O)OC2(c3ccccc3)c3ccccc3-c3ccccc32)cc1 ZINC000008383800 194437965 /nfs/dbraw/zinc/43/79/65/194437965.db2.gz JZWJEEPBNQRLFB-JGCGQSQUSA-N -1 0 475.591 4.841 50 0 JJAARM O=C([O-])c1nn2c(nc(-c3ccc(Br)cc3)cc2C(F)(F)F)c1Br ZINC000008456963 194454285 /nfs/dbraw/zinc/45/42/85/194454285.db2.gz RRELIAOSKDUPCI-UHFFFAOYSA-N -1 0 465.023 4.638 50 0 JJAARM [O-]c1c([C@H](c2cccs2)N2CCN(c3ccccc3)CC2)sc2nc(-c3ccco3)nn12 ZINC000009715836 194913965 /nfs/dbraw/zinc/91/39/65/194913965.db2.gz IWLNXIXJEMSCRZ-IBGZPJMESA-N -1 0 463.588 4.730 50 0 JJAARM O=C(Nc1cccc(C(F)(F)F)c1)c1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000009956324 195036597 /nfs/dbraw/zinc/03/65/97/195036597.db2.gz SYHGONHWEORZGD-UHFFFAOYSA-N -1 0 455.845 4.807 50 0 JJAARM COc1c(F)c(F)c(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@H](C)c2ccccc2)c(F)c1F ZINC000012605326 195050649 /nfs/dbraw/zinc/05/06/49/195050649.db2.gz OIYMQYREDMKHKG-GFCCVEGCSA-N -1 0 482.455 4.543 50 0 JJAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3COc3ccccc3)cc2)nc(C)n1 ZINC000009968784 195041738 /nfs/dbraw/zinc/04/17/38/195041738.db2.gz PKDCBKRBRSHSKG-UHFFFAOYSA-N -1 0 488.569 4.726 50 0 JJAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccccc1COc1ccccc1 ZINC000009968786 195041787 /nfs/dbraw/zinc/04/17/87/195041787.db2.gz OEUBBJUEBAFYNY-UHFFFAOYSA-N -1 0 465.556 4.775 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2C)ccc1Cl ZINC000012630715 195062956 /nfs/dbraw/zinc/06/29/56/195062956.db2.gz LDGYAKMFRVRLMH-UHFFFAOYSA-N -1 0 480.995 4.567 50 0 JJAARM COc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cccs4)=NN32)c(C(=O)[O-])c1OC ZINC000012660871 195080707 /nfs/dbraw/zinc/08/07/07/195080707.db2.gz FEHHUPDAJQUCPH-QMHKHESXSA-N -1 0 466.515 4.714 50 0 biogenic JJAARM COc1ccc(/C=C(\NC(=O)c2ccc(Br)cc2)C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000012655550 195077977 /nfs/dbraw/zinc/07/79/77/195077977.db2.gz JLQGAZSEAYVXOP-BKUYFWCQSA-N -1 0 495.329 4.566 50 0 JJAARM CCOc1cc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)[O-])ccc1OCC(=O)N(C)C ZINC000012746339 195102904 /nfs/dbraw/zinc/10/29/04/195102904.db2.gz KZDYKNAVGPARNL-NBVRZTHBSA-N -1 0 460.530 4.676 50 0 JJAARM CCOc1cc2[n-]c(=S)n(Cc3ccc(C(=O)Nc4ccccn4)cc3)c(=O)c2cc1OCC ZINC000020644676 195194796 /nfs/dbraw/zinc/19/47/96/195194796.db2.gz DLROSLMKPKUQRA-UHFFFAOYSA-N -1 0 476.558 4.552 50 0 JJAARM COc1ccc2o/c(=N\c3ccc(C(=O)[O-])cc3)c(C(=O)Nc3ccc(OC)c(OC)c3)cc2c1 ZINC000020616711 195188376 /nfs/dbraw/zinc/18/83/76/195188376.db2.gz WJZMONROTJLLKE-FVDSYPCUSA-N -1 0 474.469 4.642 50 0 JJAARM COc1cccc2cc(C(=O)NCc3cccc(Cl)c3)/c(=N/c3ccc(C(=O)[O-])cc3)oc21 ZINC000020616691 195188426 /nfs/dbraw/zinc/18/84/26/195188426.db2.gz BYPHIVCUMLEKFO-COOPMVRXSA-N -1 0 462.889 4.955 50 0 JJAARM CCc1cc2c(cc1S(=O)(=O)[N-]c1cc(Cl)c(OC)cc1OC)[nH]c1c2C(=O)CCC1 ZINC000020990442 195262266 /nfs/dbraw/zinc/26/22/66/195262266.db2.gz NQRKGLAYZUGUGI-UHFFFAOYSA-N -1 0 462.955 4.721 50 0 JJAARM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(S(=O)(=O)c2ccc(C)cc2)CCC3)s1 ZINC000021042879 195271091 /nfs/dbraw/zinc/27/10/91/195271091.db2.gz QULLAZXRPJMNQB-UHFFFAOYSA-N -1 0 476.645 4.561 50 0 JJAARM O=C(Nc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1)c1ccco1 ZINC000021193452 195291232 /nfs/dbraw/zinc/29/12/32/195291232.db2.gz IJTMVVZKTOEFMM-UHFFFAOYSA-N -1 0 479.489 4.724 50 0 JJAARM Cc1ccc(-c2nc(CCNC(=O)CCCCCn3c(=O)c4ccccc4[n-]c3=S)co2)cc1 ZINC000058179176 195372409 /nfs/dbraw/zinc/37/24/09/195372409.db2.gz OTUXMQFELFZMES-UHFFFAOYSA-N -1 0 476.602 4.942 50 0 JJAARM CCOC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000102862216 130333897 /nfs/dbraw/zinc/33/38/97/130333897.db2.gz XCAQZBSZLIKKDG-RJGXRXQPSA-N -1 0 476.916 4.568 50 0 JJAARM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4cccc(F)c4)no3)sc2C)cc1 ZINC000046141481 518385582 /nfs/dbraw/zinc/38/55/82/518385582.db2.gz KAGKFKCRAUSDGW-UHFFFAOYSA-N -1 0 457.508 4.916 50 0 JJAARM C/C(=C/C(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccccc2Br)cc1)C(=O)[O-] ZINC000013579309 518411401 /nfs/dbraw/zinc/41/14/01/518411401.db2.gz RGSRZUVULPCNMY-YLGBQOPLSA-N -1 0 463.353 4.538 50 0 JJAARM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3nc(-c4cccc(F)c4)no3)sc2C)c1 ZINC000046141520 518445890 /nfs/dbraw/zinc/44/58/90/518445890.db2.gz ZTAOMZCSFTYKTL-UHFFFAOYSA-N -1 0 457.508 4.916 50 0 JJAARM CC(C)(C)OC(=O)N[C@@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000016322951 518835685 /nfs/dbraw/zinc/83/56/85/518835685.db2.gz YEXNCDUSVVLUFM-DEOSSOPVSA-N -1 0 488.584 4.853 50 0 JJAARM CC(C)CC(=O)Nc1ccc2nc(N3CCN(c4ccc(Cl)cc4)CC3)cc(C(=O)[O-])c2c1 ZINC000033260696 519607439 /nfs/dbraw/zinc/60/74/39/519607439.db2.gz JLVHRAWTMWRUJO-UHFFFAOYSA-N -1 0 466.969 4.898 50 0 JJAARM CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)s1 ZINC000033303169 519702436 /nfs/dbraw/zinc/70/24/36/519702436.db2.gz SOIABRCAEQOKKB-SOFGYWHQSA-N -1 0 451.957 4.936 50 0 JJAARM CC(=O)Nc1cc(C(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)ccc1[O-] ZINC000016216822 519703293 /nfs/dbraw/zinc/70/32/93/519703293.db2.gz GASFERWNZDEMBC-UHFFFAOYSA-N -1 0 458.445 4.745 50 0 JJAARM CC(=O)Nc1ccc(C)cc1-c1nnc(S[C@H](C)C(=O)Nc2cccc(Cl)c2C)[n-]c1=O ZINC000021882666 519713628 /nfs/dbraw/zinc/71/36/28/519713628.db2.gz QSMQCZWPGHGQDR-CYBMUJFWSA-N -1 0 471.970 4.592 50 0 JJAARM CC(=O)Nc1ccc(C)cc1-c1nnc(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)[n-]c1=O ZINC000021882664 519713688 /nfs/dbraw/zinc/71/36/88/519713688.db2.gz CEYNTWJQIZTDPN-MRXNPFEDSA-N -1 0 465.579 4.556 50 0 JJAARM CCCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cn2)cc1 ZINC000033139519 519900388 /nfs/dbraw/zinc/90/03/88/519900388.db2.gz CLBPDVSWFHHFQA-UHFFFAOYSA-N -1 0 496.408 4.639 50 0 JJAARM CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3[n-]c(SCc2ccccc2)nc1=O ZINC000013512136 520577549 /nfs/dbraw/zinc/57/75/49/520577549.db2.gz WFCUEIGMFDZWDO-UHFFFAOYSA-N -1 0 494.642 4.925 50 0 JJAARM CCCC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C)C(=O)[O-] ZINC000002154376 521083865 /nfs/dbraw/zinc/08/38/65/521083865.db2.gz RMLGZHNAIPHNKF-XMSQKQJNSA-N -1 0 465.546 4.528 50 0 biogenic JJAARM CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N(CC)Cc2ccccc2)cc1 ZINC000033253829 521208208 /nfs/dbraw/zinc/20/82/08/521208208.db2.gz WZOWGYZCZQKGAM-UHFFFAOYSA-N -1 0 454.548 4.611 50 0 JJAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000006143035 521212767 /nfs/dbraw/zinc/21/27/67/521212767.db2.gz GJQHNVRWMOADRT-LJQANCHMSA-N -1 0 452.576 4.637 50 0 JJAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(Br)cc2)cc1 ZINC000006146275 521213725 /nfs/dbraw/zinc/21/37/25/521213725.db2.gz GLXVQVZQHGCBGO-UHFFFAOYSA-N -1 0 475.364 4.901 50 0 JJAARM CCN(C[C@H](O)c1cccc(O)c1)C(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000006173393 521263757 /nfs/dbraw/zinc/26/37/57/521263757.db2.gz LPISWMPSIHRZTK-VWLOTQADSA-N -1 0 496.629 4.622 50 0 JJAARM CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1cc(OC)cc(OC)c1 ZINC000012414884 521619516 /nfs/dbraw/zinc/61/95/16/521619516.db2.gz XEHNBHAPLXCWNS-UHFFFAOYSA-N -1 0 461.561 4.718 50 0 JJAARM COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000033293808 521954242 /nfs/dbraw/zinc/95/42/42/521954242.db2.gz DMPZWKOPPPFGOF-OVCLIPMQSA-N -1 0 454.287 4.706 50 0 JJAARM COc1cc(/C=C2\SC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)[O-] ZINC000016196166 521972131 /nfs/dbraw/zinc/97/21/31/521972131.db2.gz GAZZVRYNERQSFV-APSNUPSMSA-N -1 0 454.287 4.706 50 0 JJAARM COc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)cc(OC)c1OC ZINC000012418687 522960915 /nfs/dbraw/zinc/96/09/15/522960915.db2.gz CZFQGBGVUXAERI-CQSZACIVSA-N -1 0 457.479 4.752 50 0 JJAARM COc1ccc(-c2cc(C(=O)[N-]c3nnc(SCc4ccc(F)cc4)s3)no2)cc1OC ZINC000046086992 523100124 /nfs/dbraw/zinc/10/01/24/523100124.db2.gz MMBRJKRWJZAUDE-UHFFFAOYSA-N -1 0 472.523 4.894 50 0 JJAARM COc1ccc(-c2cnn3c2nc(C)cc3C)cc1S(=O)(=O)[N-]c1cccc(C(C)C)c1 ZINC000033171428 523155630 /nfs/dbraw/zinc/15/56/30/523155630.db2.gz RYMNTRDYDJUSDC-UHFFFAOYSA-N -1 0 450.564 4.946 50 0 JJAARM COc1ccc(-c2nnc(-c3ccc(C)c(S(=O)(=O)[N-]c4ccc(Cl)cn4)c3)o2)cc1OC ZINC000064988068 523250445 /nfs/dbraw/zinc/25/04/45/523250445.db2.gz MJYMRSJGWWNARO-UHFFFAOYSA-N -1 0 486.937 4.578 50 0 JJAARM CN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1C(=O)[O-] ZINC000033253462 523354017 /nfs/dbraw/zinc/35/40/17/523354017.db2.gz TYDYZQLVHATHSJ-UHFFFAOYSA-N -1 0 450.560 4.701 50 0 JJAARM COc1ccc(/C=C(/NC(=O)c2ccccc2Br)C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000016115012 523381334 /nfs/dbraw/zinc/38/13/34/523381334.db2.gz MPAHFYNZIVBMNP-FYJGNVAPSA-N -1 0 495.329 4.566 50 0 JJAARM CCn1nc(C)c(CCN(C)c2ccc(NC(=O)c3ccc(Br)cc3)cc2C(=O)[O-])c1C ZINC000046053618 523632253 /nfs/dbraw/zinc/63/22/53/523632253.db2.gz RSVXPMIPPNBVRD-UHFFFAOYSA-N -1 0 499.409 4.912 50 0 JJAARM COc1ccc(C(=O)[C@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)cc1 ZINC000006141981 523778802 /nfs/dbraw/zinc/77/88/02/523778802.db2.gz FWRBDHGJDVXUPY-ZDUSSCGKSA-N -1 0 479.963 4.639 50 0 JJAARM Cc1ccc(C)c(N2CCN(c3ccc(NS(=O)(=O)c4cc(F)ccc4C)cc3C(=O)[O-])CC2)c1 ZINC000033253014 524128102 /nfs/dbraw/zinc/12/81/02/524128102.db2.gz KORXZIYEIVMYRW-UHFFFAOYSA-N -1 0 497.592 4.577 50 0 JJAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(/C=C/c2onc(C)c2NC(C)=O)s1 ZINC000033306456 524246003 /nfs/dbraw/zinc/24/60/03/524246003.db2.gz JKOUOYODLJSGOK-VMPITWQZSA-N -1 0 467.956 4.636 50 0 JJAARM C[C@@H]1CCCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000006142000 524248397 /nfs/dbraw/zinc/24/83/97/524248397.db2.gz OMTXTIUCGJUGRH-CYBMUJFWSA-N -1 0 451.379 4.974 50 0 JJAARM COc1ccccc1-c1[n-]n(-c2ccc(C)cc2)c(=O)c1C=C1NC(=O)N(Cc2cccc(C)c2)C1=O ZINC000016534135 524283284 /nfs/dbraw/zinc/28/32/84/524283284.db2.gz DWFZSTYRRYQFEF-JLPGSUDCSA-N -1 0 494.551 4.963 50 0 JJAARM COc1ccc(NC(=O)CSc2nc(-c3ccccc3)[n-]c2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012252740 524505541 /nfs/dbraw/zinc/50/55/41/524505541.db2.gz LCEUUMUKBHQVHE-UHFFFAOYSA-N -1 0 493.610 4.957 50 0 JJAARM COc1ccccc1N1C(=O)[N-]C(=O)[C@](CCc2ccncc2)(Cc2cccc3ccccc32)C1=O ZINC000016293642 524534763 /nfs/dbraw/zinc/53/47/63/524534763.db2.gz VEKDNPOLEXUUAX-LJAQVGFWSA-N -1 0 479.536 4.688 50 0 JJAARM Cc1cccc(N2CCN(c3ccc(NS(=O)(=O)c4cc(F)ccc4C)cc3C(=O)[O-])CC2)c1C ZINC000033253004 524560143 /nfs/dbraw/zinc/56/01/43/524560143.db2.gz BBLXANABJXBSBU-UHFFFAOYSA-N -1 0 497.592 4.577 50 0 JJAARM COc1ccccc1N1CCN(c2ccc(NC(=O)c3ccccc3Cl)c(C(=O)[O-])c2)CC1 ZINC000035482678 524563760 /nfs/dbraw/zinc/56/37/60/524563760.db2.gz LUBNZLAYKNHDIM-UHFFFAOYSA-N -1 0 465.937 4.626 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)COc2cc(C)ccc2C(C)C)c1 ZINC000012525793 524645249 /nfs/dbraw/zinc/64/52/49/524645249.db2.gz OTVXITZRWQAANT-UHFFFAOYSA-N -1 0 484.574 4.651 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4cccc(F)c4)no3)sc2C)c(OC)c1 ZINC000046141483 524686804 /nfs/dbraw/zinc/68/68/04/524686804.db2.gz YNABBXHEOMUHNO-UHFFFAOYSA-N -1 0 475.523 4.731 50 0 JJAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(-c3nc(-c4cccc(F)c4)no3)sc2C)c1 ZINC000046141515 524869955 /nfs/dbraw/zinc/86/99/55/524869955.db2.gz YQPIDISQAOGSSF-UHFFFAOYSA-N -1 0 475.523 4.731 50 0 JJAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 ZINC000016128260 524881241 /nfs/dbraw/zinc/88/12/41/524881241.db2.gz PEHILTYQYJMOGV-UHFFFAOYSA-N -1 0 480.464 4.776 50 0 JJAARM COc1ccc(S(=O)(=O)Nc2ccc(N(CC(C)C)CC(C)C)c(C(=O)[O-])c2)cc1Cl ZINC000033253585 525083558 /nfs/dbraw/zinc/08/35/58/525083558.db2.gz XHNFHFHKHMHREF-UHFFFAOYSA-N -1 0 469.003 4.966 50 0 JJAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(OC)c(Cl)c2)cc1 ZINC000016955775 525091949 /nfs/dbraw/zinc/09/19/49/525091949.db2.gz IZTYGLMREGVKFC-UHFFFAOYSA-N -1 0 470.938 4.845 50 0 JJAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C\c3ccc(Cl)c(Cl)c3)cc2)nc(C)n1 ZINC000033334044 525286426 /nfs/dbraw/zinc/28/64/26/525286426.db2.gz MYXMYFDHAFDTNE-WMZJFQQLSA-N -1 0 477.373 4.853 50 0 JJAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc3nsnc32)cc1C ZINC000002326512 525330307 /nfs/dbraw/zinc/33/03/07/525330307.db2.gz XBHUGNJXCIXXIC-UHFFFAOYSA-N -1 0 462.560 4.796 50 0 JJAARM Cc1ccc(S(=O)(=O)C2=C([O-])C(=O)N(c3nnc(C(C)C)s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000024193024 525486855 /nfs/dbraw/zinc/48/68/55/525486855.db2.gz MHXUEMUBPNHKEV-QGZVFWFLSA-N -1 0 490.006 4.955 50 0 JJAARM Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4cccc(C)c4)[C@H](C)C3)c(C(=O)[O-])c2)cc1 ZINC000033253538 525605169 /nfs/dbraw/zinc/60/51/69/525605169.db2.gz VHOUPTMMDUUIAW-HXUWFJFHSA-N -1 0 479.602 4.518 50 0 JJAARM COc1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(Nc3ccc4c(c3)OCCO4)nc2c1 ZINC000016227805 525677584 /nfs/dbraw/zinc/67/75/84/525677584.db2.gz NAKAZJYJMBVNNC-UHFFFAOYSA-N -1 0 498.948 4.607 50 0 JJAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C\c3ccc(Cl)cc3Cl)cc2)n1 ZINC000033332863 525695725 /nfs/dbraw/zinc/69/57/25/525695725.db2.gz AXFDJZDPQJWOKV-OQFOIZHKSA-N -1 0 463.346 4.545 50 0 JJAARM Cc1c(NC(=S)NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cccc1C(=O)[O-] ZINC000002404433 525867561 /nfs/dbraw/zinc/86/75/61/525867561.db2.gz OPTOFPDMGMPAAN-UHFFFAOYSA-N -1 0 459.321 4.843 50 0 JJAARM Cc1c(O[C@H](C)C(=O)N[C@H](C(=O)[O-])c2ccccc2)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000002106471 525883064 /nfs/dbraw/zinc/88/30/64/525883064.db2.gz MELGNDPDEJSRDZ-CLOONOSVSA-N -1 0 485.536 4.710 50 0 biogenic JJAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccc(Cl)cc3C)c2oc1C(=O)N1CCOCC1 ZINC000065010761 525941875 /nfs/dbraw/zinc/94/18/75/525941875.db2.gz LUROOLOYQSCHJO-UHFFFAOYSA-N -1 0 476.982 4.593 50 0 JJAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)c2oc1C(=O)N1CCOCC1 ZINC000065010833 525942536 /nfs/dbraw/zinc/94/25/36/525942536.db2.gz FGSFTXIODADWDR-UHFFFAOYSA-N -1 0 470.591 4.755 50 0 JJAARM COc1cccc(NC(=O)c2cc(S(=O)(=O)[N-]c3cc(Cl)c(OC)cc3OC)ccc2C)c1 ZINC000016505603 526200812 /nfs/dbraw/zinc/20/08/12/526200812.db2.gz LBDUKKMDHUGFNH-UHFFFAOYSA-N -1 0 490.965 4.727 50 0 JJAARM COc1cccc(Oc2ccc(C(F)(F)F)cc2[N-]S(=O)(=O)c2ccc(CNC(C)=O)cc2)c1 ZINC000012508017 526241554 /nfs/dbraw/zinc/24/15/54/526241554.db2.gz QMWORWQWAUGJNX-UHFFFAOYSA-N -1 0 494.491 4.943 50 0 JJAARM [O-]c1c([C@H](c2ccc(F)cc2)N2CCN(Cc3ccccc3)CC2)sc2nc(-c3ccco3)nn12 ZINC000022795373 526332588 /nfs/dbraw/zinc/33/25/88/526332588.db2.gz ARQXLAGWDBTLAX-QFIPXVFZSA-N -1 0 489.576 4.803 50 0 JJAARM O=C([O-])c1cc(NC(=O)c2ccccc2Cl)ccc1N1CCN(c2ccc(F)cc2)CC1 ZINC000033078623 526351201 /nfs/dbraw/zinc/35/12/01/526351201.db2.gz DUALIBLNTFFHMI-UHFFFAOYSA-N -1 0 453.901 4.756 50 0 JJAARM Cc1noc(C)c1CCN(C)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000033254131 526488725 /nfs/dbraw/zinc/48/87/25/526488725.db2.gz TZJJFFMUMXTRNL-UHFFFAOYSA-N -1 0 471.579 4.593 50 0 JJAARM O=C([N-][C@]1(C(F)(F)F)C(=O)N2c3c1cccc3Sc1ccc(Cl)cc12)C(F)(F)F ZINC000002601357 527088087 /nfs/dbraw/zinc/08/80/87/527088087.db2.gz OYKQUDZFWVXDHT-HNNXBMFYSA-N -1 0 452.763 4.919 50 0 JJAARM O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1c1nnc(C(F)(F)F)[n-]1 ZINC000016741964 527138255 /nfs/dbraw/zinc/13/82/55/527138255.db2.gz WDUJYGLJWMGBBA-AWEZNQCLSA-N -1 0 481.217 4.987 50 0 JJAARM Cc1nc2sc([C@@H](c3ccc(C(C)C)cc3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000023157225 527205242 /nfs/dbraw/zinc/20/52/42/527205242.db2.gz PFJSURQGWBZPTC-JOCHJYFZSA-N -1 0 465.598 4.979 50 0 JJAARM Cc1nc2sc([C@H](c3cccc(Br)c3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000022627405 527206820 /nfs/dbraw/zinc/20/68/20/527206820.db2.gz DWQIXYIRDACZCJ-SFHVURJKSA-N -1 0 455.381 4.715 50 0 JJAARM O=C([O-])CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCc1ccccc1 ZINC000002571889 527597153 /nfs/dbraw/zinc/59/71/53/527597153.db2.gz FMWLYDDRYGOYMY-DEOSSOPVSA-N -1 0 459.498 4.502 50 0 JJAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2)c1C ZINC000000657554 553737063 /nfs/dbraw/zinc/73/70/63/553737063.db2.gz WJVXJZYMSJLMDD-CYBMUJFWSA-N -1 0 484.361 4.805 50 0 JJAARM O=C([O-])c1cccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2cccc(Br)c2)c1 ZINC000000657937 553737087 /nfs/dbraw/zinc/73/70/87/553737087.db2.gz JCGQGGOJAFIPOI-UDWIEESQSA-N -1 0 465.303 4.557 50 0 JJAARM O=S(=O)([N-]c1cnn(Cc2ccc(Cl)c(Cl)c2)c1)c1ccc(Br)cc1 ZINC000000680031 553753041 /nfs/dbraw/zinc/75/30/41/553753041.db2.gz AUBDVOBMGFUPDG-UHFFFAOYSA-N -1 0 461.168 4.802 50 0 JJAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 ZINC000000849913 553798003 /nfs/dbraw/zinc/79/80/03/553798003.db2.gz JWCBVHPTSKUOQO-IYZJKTGWSA-N -1 0 464.304 4.629 50 0 JJAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)cc2)c1C ZINC000000935632 553873176 /nfs/dbraw/zinc/87/31/76/553873176.db2.gz MODPUOQDWPSKGD-INIZCTEOSA-N -1 0 477.970 4.768 50 0 JJAARM Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000001226912 553935993 /nfs/dbraw/zinc/93/59/93/553935993.db2.gz LNSYRSYBSVNHER-UHFFFAOYSA-N -1 0 489.347 4.509 50 0 JJAARM Cc1coc2c1cc1c(C)c(CC(=O)N3CCC(C(=O)[O-])(c4ccccc4)CC3)c(=O)oc1c2C ZINC000002101702 554042946 /nfs/dbraw/zinc/04/29/46/554042946.db2.gz ACSTUITVHMVELU-UHFFFAOYSA-N -1 0 473.525 4.652 50 0 biogenic JJAARM Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)[O-])C(=O)N32)cc1 ZINC000002135481 554061678 /nfs/dbraw/zinc/06/16/78/554061678.db2.gz KGFKTBGYKGVLBC-LADGPHEKSA-N -1 0 451.482 4.657 50 0 biogenic JJAARM O=C([O-])c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)cc1 ZINC000002208362 554093687 /nfs/dbraw/zinc/09/36/87/554093687.db2.gz HDVVPBRGXAMNAZ-UHFFFAOYSA-N -1 0 454.895 4.610 50 0 JJAARM O=C([O-])[C@H](Cc1cccc(Br)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002243677 554110289 /nfs/dbraw/zinc/11/02/89/554110289.db2.gz CALGTIKYXVBTAO-QFIPXVFZSA-N -1 0 466.331 4.984 50 0 JJAARM CCc1c(C)sc([N-]C(NC(=O)Cc2ccccc2)(C(F)(F)F)C(F)(F)F)c1C(=O)OC ZINC000002324726 554148776 /nfs/dbraw/zinc/14/87/76/554148776.db2.gz URALGNZDKKWLSA-UHFFFAOYSA-N -1 0 482.446 4.997 50 0 JJAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CC(c3ccccc3)c3ccccc3)cc2)n1 ZINC000002370963 554170357 /nfs/dbraw/zinc/17/03/57/554170357.db2.gz QHULWANDWOWXOP-UHFFFAOYSA-N -1 0 472.570 4.747 50 0 JJAARM COc1ccccc1CNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000002373714 554172114 /nfs/dbraw/zinc/17/21/14/554172114.db2.gz DNCJMXNYKPJEJG-UHFFFAOYSA-N -1 0 454.939 4.705 50 0 JJAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(F)c(Cl)c1)c1cccc2nsnc21 ZINC000002412386 554192879 /nfs/dbraw/zinc/19/28/79/554192879.db2.gz XOBONJQORBQMNB-UHFFFAOYSA-N -1 0 486.941 4.971 50 0 JJAARM CC(C)Oc1cc(N(CC(=O)[O-])S(=O)(=O)c2ccc(Cl)cc2)c(Cl)cc1Cl ZINC000002571526 554236783 /nfs/dbraw/zinc/23/67/83/554236783.db2.gz OSSMVBGXSQYLIX-UHFFFAOYSA-N -1 0 452.743 4.714 50 0 JJAARM O=S(=O)([N-]c1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(Br)cc1Cl ZINC000002662834 554276165 /nfs/dbraw/zinc/27/61/65/554276165.db2.gz ZXIHSONJODXKOV-UHFFFAOYSA-N -1 0 481.803 4.888 50 0 JJAARM O=C([O-])[C@H](Cc1ccc(Br)cc1)SCC(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000002709924 554297079 /nfs/dbraw/zinc/29/70/79/554297079.db2.gz BUPQLCOJNKKCPT-SFHVURJKSA-N -1 0 491.432 4.864 50 0 JJAARM Cc1nn(C)cc1-c1cc(-c2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)no1 ZINC000002730749 554314949 /nfs/dbraw/zinc/31/49/49/554314949.db2.gz CQNATNFSEWPTEN-UHFFFAOYSA-N -1 0 452.931 4.544 50 0 JJAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc32)cc1 ZINC000002748352 554325234 /nfs/dbraw/zinc/32/52/34/554325234.db2.gz IADGJLLOMJMTCX-UHFFFAOYSA-N -1 0 473.554 4.596 50 0 JJAARM Cc1cc(C)n(Cc2ccc(C(=O)[N-]n3c(C)nc4sc5c(c4c3=O)CC[C@H](C(C)(C)C)C5)o2)n1 ZINC000002778333 554340845 /nfs/dbraw/zinc/34/08/45/554340845.db2.gz ORVNFXCTTWHNHA-KRWDZBQOSA-N -1 0 493.633 4.756 50 0 JJAARM Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1[N-]S(=O)(=O)c1c(C)nn(C(F)F)c1C ZINC000002804369 554355156 /nfs/dbraw/zinc/35/51/56/554355156.db2.gz ABYYNEHOWOFFQM-UHFFFAOYSA-N -1 0 478.352 4.864 50 0 JJAARM Cc1ccc(OCC(=O)Nc2ccc(C(=O)[O-])cc2NC(=O)COc2ccc(C)c(C)c2)cc1C ZINC000002837079 554370567 /nfs/dbraw/zinc/37/05/67/554370567.db2.gz MJJIKFLNNDVNAZ-UHFFFAOYSA-N -1 0 476.529 4.653 50 0 JJAARM CC(=O)Nc1ccc(-c2csc(Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)n2)cc1 ZINC000002862101 554388873 /nfs/dbraw/zinc/38/88/73/554388873.db2.gz PZFCNHYHQQORNK-UHFFFAOYSA-N -1 0 494.602 4.720 50 0 JJAARM CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000002862052 554388923 /nfs/dbraw/zinc/38/89/23/554388923.db2.gz RXEXJKIMYKYZMJ-UHFFFAOYSA-N -1 0 476.558 4.768 50 0 JJAARM O=C(CCCCCn1c(=O)c2cc(Br)ccc2[n-]c1=S)NCc1ccccc1Cl ZINC000002973891 554414464 /nfs/dbraw/zinc/41/44/64/554414464.db2.gz DJGWGBKOCNNKDC-UHFFFAOYSA-N -1 0 494.842 4.978 50 0 JJAARM O=C(NCc1cccc(Cl)c1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(Cl)cc1)c2=O ZINC000002973415 554414475 /nfs/dbraw/zinc/41/44/75/554414475.db2.gz TZUDGUFRUGGZJX-UHFFFAOYSA-N -1 0 470.381 4.970 50 0 JJAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)c1 ZINC000002991529 554421063 /nfs/dbraw/zinc/42/10/63/554421063.db2.gz NIQIDSKTCFNDAM-UHFFFAOYSA-N -1 0 493.006 4.889 50 0 JJAARM COc1ccc(CCNC(=O)c2ccc3c(c2)[n-]c(=S)n(C2CCCCC2)c3=O)cc1OC ZINC000003631115 554467687 /nfs/dbraw/zinc/46/76/87/554467687.db2.gz PPOLBPQFSCWNFH-UHFFFAOYSA-N -1 0 467.591 4.554 50 0 JJAARM C[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000006146494 554510738 /nfs/dbraw/zinc/51/07/38/554510738.db2.gz MJACNWDRPKKPNG-OAHLLOKOSA-N -1 0 471.376 4.841 50 0 JJAARM Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)[n-]c2S(=O)(=O)c2ccccc2)cc1 ZINC000006153461 554512486 /nfs/dbraw/zinc/51/24/86/554512486.db2.gz SYNUCFSPTGUQEV-UHFFFAOYSA-N -1 0 463.584 4.949 50 0 JJAARM CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C1=O ZINC000008396451 554571240 /nfs/dbraw/zinc/57/12/40/554571240.db2.gz MJMONFHHTZDQIB-LICLKQGHSA-N -1 0 462.321 4.783 50 0 JJAARM COC(=O)c1c2c(sc1[N-]C(NC(=O)C(C)C)(C(F)(F)F)C(F)(F)F)CCCCC2 ZINC000008445233 554594691 /nfs/dbraw/zinc/59/46/91/554594691.db2.gz LZSTTXHHGMSXIG-UHFFFAOYSA-N -1 0 460.440 4.809 50 0 JJAARM [O-]C(c1cccs1)=C1[C@@H](c2cccc(Oc3ccccc3)c2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000008763654 554663909 /nfs/dbraw/zinc/66/39/09/554663909.db2.gz IXWCHYZBZNMLHS-UEXGIBASSA-N -1 0 478.517 4.809 50 0 JJAARM Cc1ccc(-c2coc3cc4oc(=O)c(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(C)c4cc32)cc1 ZINC000008790356 554683573 /nfs/dbraw/zinc/68/35/73/554683573.db2.gz YOZCLJKRYHNMFP-QFIPXVFZSA-N -1 0 461.514 4.981 50 0 biogenic JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)Oc2ccccc2)ccc1N1CCCC1 ZINC000009120623 554914017 /nfs/dbraw/zinc/91/40/17/554914017.db2.gz GAXJRKWSTDJCRJ-UHFFFAOYSA-N -1 0 467.547 4.707 50 0 JJAARM Cc1cccc(C)c1NC(=O)[C@@]1(CC(=O)[O-])CC(c2ccc(OCc3ccccc3)cc2)=NO1 ZINC000009129846 554928498 /nfs/dbraw/zinc/92/84/98/554928498.db2.gz JOSFVSVKDHKZQM-MHZLTWQESA-N -1 0 458.514 4.859 50 0 JJAARM CC(C)CCN1c2cc([N-]S(=O)(=O)c3ccccc3Cl)ccc2OCC(C)(C)C1=O ZINC000009174064 554955058 /nfs/dbraw/zinc/95/50/58/554955058.db2.gz QYQVQMPOIJGWKU-UHFFFAOYSA-N -1 0 450.988 4.939 50 0 JJAARM Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)cc(Cl)c3[O-])C2=O)cc1C ZINC000009233920 555007191 /nfs/dbraw/zinc/00/71/91/555007191.db2.gz PYNGUWWDSBVAEU-FRKPEAEDSA-N -1 0 451.331 4.991 50 0 JJAARM C[C@H](Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)C(=O)NCC1CCC(C(=O)[O-])CC1 ZINC000009235345 555009585 /nfs/dbraw/zinc/00/95/85/555009585.db2.gz PXQVEEGGBCBFCF-HJOIGYKYSA-N -1 0 483.948 4.888 50 0 JJAARM COc1ccc(C(=O)c2oc3ccccc3c2[N-]C(=O)c2csnn2)cc1Br ZINC000009250865 555024159 /nfs/dbraw/zinc/02/41/59/555024159.db2.gz NOVGPHDVBHOTJI-UHFFFAOYSA-N -1 0 458.293 4.539 50 0 JJAARM Cc1ccc(N2N=C(C(=O)c3ccccc3)C3=C([O-])N(c4cccc(Cl)c4C)C(=O)[C@@H]32)cc1 ZINC000009281203 555050219 /nfs/dbraw/zinc/05/02/19/555050219.db2.gz QKUJSRDZUJTHIE-JTHBVZDNSA-N -1 0 457.917 4.574 50 0 JJAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)c1 ZINC000009290399 555064778 /nfs/dbraw/zinc/06/47/78/555064778.db2.gz CCPYBGOSGAYKIF-UHFFFAOYSA-N -1 0 461.927 4.802 50 0 JJAARM COc1ccccc1-n1c(SCC(=O)c2ccccc2)nc([O-])c(Cc2ccccc2)c1=O ZINC000009310776 555086996 /nfs/dbraw/zinc/08/69/96/555086996.db2.gz TUBGMJHFNPMIKB-UHFFFAOYSA-N -1 0 458.539 4.513 50 0 JJAARM CCCCc1c([O-])nc(SCC(=O)Nc2ccc(OC)cc2)n(-c2ccc(C)c(C)c2)c1=O ZINC000009327336 555097484 /nfs/dbraw/zinc/09/74/84/555097484.db2.gz AYMPCDNNVRNBPI-UHFFFAOYSA-N -1 0 467.591 4.637 50 0 JJAARM CC[C@H]1CCCCN1C(=O)[C@@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000009352272 555117721 /nfs/dbraw/zinc/11/77/21/555117721.db2.gz OXUAOJFQJGCBSM-CABCVRRESA-N -1 0 485.027 4.539 50 0 JJAARM CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)C(=O)[C@@H]12 ZINC000009426262 555191276 /nfs/dbraw/zinc/19/12/76/555191276.db2.gz FMEKXYLDXSRLJO-AZZUFQGZSA-N -1 0 457.913 4.783 50 0 JJAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1cccc(-c2ccc(N3CCCCCC3)nn2)c1 ZINC000009529543 555323682 /nfs/dbraw/zinc/32/36/82/555323682.db2.gz QBGYMGRGLZLYDW-UHFFFAOYSA-N -1 0 466.607 4.950 50 0 JJAARM CN(c1ccccc1)S(=O)(=O)c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000009539486 555330884 /nfs/dbraw/zinc/33/08/84/555330884.db2.gz RMLMXURARMRXQA-UHFFFAOYSA-N -1 0 471.387 4.619 50 0 JJAARM O=C([O-])C1CCN(C(=O)CSc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)CC1 ZINC000009562273 555362460 /nfs/dbraw/zinc/36/24/60/555362460.db2.gz RWSNUHRWIOPWRD-UHFFFAOYSA-N -1 0 477.508 4.519 50 0 JJAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(-c2cn3ccc(C)nc3n2)cc1 ZINC000009572178 555368917 /nfs/dbraw/zinc/36/89/17/555368917.db2.gz KANRDAKEMUFBMI-UHFFFAOYSA-N -1 0 487.379 4.667 50 0 JJAARM CCOc1ccc(OCC)c(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(N(CC)CC)n3)cc2)c1 ZINC000009572556 555369591 /nfs/dbraw/zinc/36/95/91/555369591.db2.gz VDWPABNGPGPURZ-UHFFFAOYSA-N -1 0 499.637 4.973 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)Nc4ccc5c(c4)OCCO5)cc3s2)cc1 ZINC000013349058 555378949 /nfs/dbraw/zinc/37/89/49/555378949.db2.gz SISRJDZJNFLZQT-UHFFFAOYSA-N -1 0 496.570 4.821 50 0 JJAARM Cc1cc(C)c(NC(=O)COC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)c(C)c2)c(C)c1 ZINC000009610061 555439719 /nfs/dbraw/zinc/43/97/19/555439719.db2.gz OJXQFZBNSIMTHP-UHFFFAOYSA-N -1 0 484.549 4.656 50 0 JJAARM Cc1nc2ccccc2c(=O)n1-c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000009715098 555446526 /nfs/dbraw/zinc/44/65/26/555446526.db2.gz CLPVFZLEKFVJLY-UHFFFAOYSA-N -1 0 460.342 4.802 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(SCC(=O)N(C)C3CCCCC3)nc2c1 ZINC000009613500 555449580 /nfs/dbraw/zinc/44/95/80/555449580.db2.gz KSMFOOMYVCDARW-UHFFFAOYSA-N -1 0 489.619 4.520 50 0 JJAARM COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C/c1ccc(C(C)C)cc1)NC(=O)c1ccccc1 ZINC000013575852 555514961 /nfs/dbraw/zinc/51/49/61/555514961.db2.gz QYZIAVSPJKJAGZ-HAHDFKILSA-N -1 0 458.514 4.926 50 0 JJAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(C(=O)OCC(=O)N(c2ccccc2)c2ccccc2)cc1 ZINC000013578991 555517446 /nfs/dbraw/zinc/51/74/46/555517446.db2.gz WDRTYCSSQOERCN-RPBOFIJWSA-N -1 0 498.535 4.814 50 0 JJAARM CSc1cccc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c1 ZINC000009828547 555526441 /nfs/dbraw/zinc/52/64/41/555526441.db2.gz BWYJQSBESDAZCI-UHFFFAOYSA-N -1 0 453.998 4.500 50 0 JJAARM CCOc1cc2c(cc1OCC)[C@H](c1ccc(OC)c(OC)c1)N(c1ccc(C(=O)[O-])cc1)C(=O)C2 ZINC000009849442 555551458 /nfs/dbraw/zinc/55/14/58/555551458.db2.gz NMSWRVWDNXRBCV-MHZLTWQESA-N -1 0 491.540 4.878 50 0 biogenic JJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000009858053 555559454 /nfs/dbraw/zinc/55/94/54/555559454.db2.gz JQKGJUPTFKQHGP-UHFFFAOYSA-N -1 0 487.629 4.682 50 0 JJAARM COc1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(Nc3ccc4c(c3)OCO4)nc2c1 ZINC000009858116 555559689 /nfs/dbraw/zinc/55/96/89/555559689.db2.gz PLYUAEWNJVGQMM-UHFFFAOYSA-N -1 0 484.921 4.565 50 0 JJAARM COc1cc(Nc2nc3cc(C)ccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC ZINC000009858083 555559740 /nfs/dbraw/zinc/55/97/40/555559740.db2.gz DNAKJKQHZDWUTJ-UHFFFAOYSA-N -1 0 494.573 4.817 50 0 JJAARM CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC000010007335 555591513 /nfs/dbraw/zinc/59/15/13/555591513.db2.gz BKBKZWNIANKGBJ-UHFFFAOYSA-N -1 0 483.348 4.578 50 0 JJAARM CN(Cc1nc2ccccc2s1)C(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000010078574 555616405 /nfs/dbraw/zinc/61/64/05/555616405.db2.gz JHVRLDYVHVWNCB-UHFFFAOYSA-N -1 0 487.990 4.728 50 0 JJAARM O=C([O-])[C@H]1[C@@H]2c3ccccc3C=CN2[C@@H](C(=O)Nc2ccccc2)[C@@]1(Cl)c1ccsc1 ZINC000013777910 555617500 /nfs/dbraw/zinc/61/75/00/555617500.db2.gz NJKALOUTGVEXPQ-MDAIXWLXSA-N -1 0 450.947 4.932 50 0 JJAARM O=C([O-])c1ccc(NC(=O)COc2ccccc2Cl)c(NC(=O)COc2ccccc2Cl)c1 ZINC000013898482 555645182 /nfs/dbraw/zinc/64/51/82/555645182.db2.gz BBOGDFHKKHYYKH-UHFFFAOYSA-N -1 0 489.311 4.727 50 0 JJAARM CCCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nnc(CC)s3)cc2)cc1 ZINC000010381863 555701891 /nfs/dbraw/zinc/70/18/91/555701891.db2.gz DSKUPNUHNQKJRF-UHFFFAOYSA-N -1 0 474.608 4.723 50 0 JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCCC(=O)N[C@H](C)c4ccccc4)c3=O)c2c1 ZINC000020329053 555775138 /nfs/dbraw/zinc/77/51/38/555775138.db2.gz DWNDGYVVIVBOAS-MRXNPFEDSA-N -1 0 464.591 4.987 50 0 JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCCC(=O)N4CCc5ccccc5C4)c3=O)c2c1 ZINC000020329147 555775246 /nfs/dbraw/zinc/77/52/46/555775246.db2.gz DFDOBTQUKAGAIN-UHFFFAOYSA-N -1 0 476.602 4.694 50 0 JJAARM CCOc1ccc(NC(=O)CCCCn2c(=O)c3[nH]c4ccc(OC)cc4c3[n-]c2=S)cc1 ZINC000020331334 555776571 /nfs/dbraw/zinc/77/65/71/555776571.db2.gz JAPVVJKFGUIQHM-UHFFFAOYSA-N -1 0 466.563 4.757 50 0 JJAARM O=C(C[C@@H]1SC(=O)[N-]C1=O)Oc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000011859318 555838536 /nfs/dbraw/zinc/83/85/36/555838536.db2.gz SDOVZPGNGSHGKS-KJOQGJGQSA-N -1 0 499.548 4.576 50 0 JJAARM Cc1c2oc3c(c2cc2c(C)c(CCC(=O)N[C@H](CC(C)C)C(=O)[O-])c(=O)oc12)CCCC3 ZINC000011865412 555839943 /nfs/dbraw/zinc/83/99/43/555839943.db2.gz VNNKWAZGNNQDCX-HXUWFJFHSA-N -1 0 453.535 4.583 50 0 JJAARM [O-]c1c([C@H](c2ccco2)N2CCN(C(c3ccccc3)c3ccccc3)CC2)sc2ncnn12 ZINC000022031003 555864473 /nfs/dbraw/zinc/86/44/73/555864473.db2.gz POXMPAGVAMHLHD-QHCPKHFHSA-N -1 0 471.586 4.586 50 0 JJAARM Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ncc(Cc4cccc(Cl)c4)s3)c2)no1 ZINC000012017646 555885203 /nfs/dbraw/zinc/88/52/03/555885203.db2.gz NVEFGJQWLXTTCJ-UHFFFAOYSA-N -1 0 488.978 4.737 50 0 JJAARM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)c1 ZINC000022666546 555942162 /nfs/dbraw/zinc/94/21/62/555942162.db2.gz RMJGSSFMZAFEKD-UHFFFAOYSA-N -1 0 450.560 4.651 50 0 JJAARM Cc1oc2cc(OCC(=O)N[C@H](C(=O)[O-])c3ccccc3)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000012323309 555953154 /nfs/dbraw/zinc/95/31/54/555953154.db2.gz HOMVVSKLMSKDJS-DEOSSOPVSA-N -1 0 477.900 4.743 50 0 JJAARM O=C([O-])[C@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OCc1ccccc1 ZINC000015721698 555956120 /nfs/dbraw/zinc/95/61/20/555956120.db2.gz JEFQVIBFPUQDGA-VWLOTQADSA-N -1 0 488.540 4.685 50 0 JJAARM [O-]c1c([C@H](c2ccccc2)N2CCN(c3ccc(F)cc3)CC2)sc2nc(-c3ccco3)nn12 ZINC000022851807 555958552 /nfs/dbraw/zinc/95/85/52/555958552.db2.gz ASKDSAOPQIFBMD-NRFANRHFSA-N -1 0 475.549 4.807 50 0 JJAARM COc1cccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCN(c3ccccc3)CC2)c1 ZINC000022852467 555959877 /nfs/dbraw/zinc/95/98/77/555959877.db2.gz GLZYAVAWCPBLAE-JOCHJYFZSA-N -1 0 487.585 4.677 50 0 JJAARM [O-]c1c([C@@H](c2ccco2)N2CCN(c3cccc(Cl)c3)CC2)sc2nc(-c3ccco3)nn12 ZINC000022852620 555959952 /nfs/dbraw/zinc/95/99/52/555959952.db2.gz UMGJGUQCTMRFRM-LJQANCHMSA-N -1 0 481.965 4.914 50 0 JJAARM CCc1nc2sc([C@@H](c3cccc(C)c3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000022854781 555961597 /nfs/dbraw/zinc/96/15/97/555961597.db2.gz IDPCXMIKSDDCER-OAQYLSRUSA-N -1 0 468.026 4.932 50 0 JJAARM CCc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000022854818 555961858 /nfs/dbraw/zinc/96/18/58/555961858.db2.gz XFPCNZYCMJNYPX-HXUWFJFHSA-N -1 0 471.989 4.763 50 0 JJAARM CCOc1ccc([C@@H](c2sc3nc(CC)nn3c2[O-])N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022854930 555962100 /nfs/dbraw/zinc/96/21/00/555962100.db2.gz UPBUXEPKLILXMB-QFIPXVFZSA-N -1 0 481.597 4.508 50 0 JJAARM COc1cc(OC)cc(C(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccc(C)cc4)sc3c2)c1 ZINC000015729295 555969627 /nfs/dbraw/zinc/96/96/27/555969627.db2.gz WGZXJULVPKCVMJ-UHFFFAOYSA-N -1 0 483.571 4.675 50 0 JJAARM CCc1cc2c(cc1S(=O)(=O)[N-]c1cc(OC)ccc1OC)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000015733827 555979509 /nfs/dbraw/zinc/97/95/09/555979509.db2.gz BVHFGBQPKVUNDD-UHFFFAOYSA-N -1 0 456.564 4.703 50 0 JJAARM O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc(F)cc1 ZINC000012548501 556026513 /nfs/dbraw/zinc/02/65/13/556026513.db2.gz ILYDLZDLUYDIFG-UHFFFAOYSA-N -1 0 482.316 4.973 50 0 JJAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccccc1OCc1ccc(Cl)cc1 ZINC000012548698 556027561 /nfs/dbraw/zinc/02/75/61/556027561.db2.gz OWRHKAFIALCGAW-UHFFFAOYSA-N -1 0 494.960 4.762 50 0 JJAARM COc1ccc(C(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccc(C)cc4)sc3c2)cc1 ZINC000015861929 556034117 /nfs/dbraw/zinc/03/41/17/556034117.db2.gz QSFXBGMLULVPQN-UHFFFAOYSA-N -1 0 453.545 4.666 50 0 JJAARM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(Cc2ccccc2)c1 ZINC000012552123 556034635 /nfs/dbraw/zinc/03/46/35/556034635.db2.gz FDUXLHLVXBWJRW-UHFFFAOYSA-N -1 0 476.501 4.647 50 0 JJAARM Cc1ccc(C(C)C)c(OC(=O)CSc2nc(-c3ccc(Cl)cc3)nc3cc(=O)[nH]n32)c1 ZINC000015862896 556036223 /nfs/dbraw/zinc/03/62/23/556036223.db2.gz ZQYMBAKNMXYNTF-UHFFFAOYSA-N -1 0 468.966 4.868 50 0 JJAARM CC(=O)Nc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2sc(NC(=O)C3CCCCC3)nc2c1 ZINC000015870268 556050037 /nfs/dbraw/zinc/05/00/37/556050037.db2.gz UJMYDKJQLZPAHG-UHFFFAOYSA-N -1 0 486.619 4.883 50 0 JJAARM COc1ccc(C(=O)N2CCc3sccc3[C@@H]2C)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000012560892 556053254 /nfs/dbraw/zinc/05/32/54/556053254.db2.gz MFBBIVDGAJHSHI-INIZCTEOSA-N -1 0 456.589 4.625 50 0 JJAARM Cc1ccc(Cl)cc1NC(=O)c1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])ccc1N1CCOCC1 ZINC000015919252 556066691 /nfs/dbraw/zinc/06/66/91/556066691.db2.gz YPRHTEIDDMORNO-WOJBJXKFSA-N -1 0 499.995 4.567 50 0 JJAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1cccc(-c2ccc(N3CCCCCC3)nn2)c1 ZINC000015941572 556076622 /nfs/dbraw/zinc/07/66/22/556076622.db2.gz MVJDCERCEUYUJL-UHFFFAOYSA-N -1 0 452.580 4.642 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)COc2cccc(C(F)(F)F)c2)ccc1C ZINC000015981166 556099942 /nfs/dbraw/zinc/09/99/42/556099942.db2.gz QWZINQKVFITEDJ-UHFFFAOYSA-N -1 0 494.491 4.841 50 0 JJAARM C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CSC(=S)SCC(=O)[O-] ZINC000012873378 556121514 /nfs/dbraw/zinc/12/15/14/556121514.db2.gz IKRAHARPUOQISU-HSGHKLBJSA-N -1 0 496.716 4.654 50 0 biogenic JJAARM COc1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000024192968 556126001 /nfs/dbraw/zinc/12/60/01/556126001.db2.gz ZXFZNIBIQBMOAC-HXUWFJFHSA-N -1 0 473.909 4.819 50 0 JJAARM Cc1cccc(-n2[n-]c(-c3ccccc3)c(C=C3NC(=O)N(Cc4ccccc4C#N)C3=O)c2=O)c1C ZINC000016534193 556142743 /nfs/dbraw/zinc/14/27/43/556142743.db2.gz MYTMBALKPYMVMA-IWIPYMOSSA-N -1 0 489.535 4.826 50 0 JJAARM CC(=O)Nc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000016955661 556186929 /nfs/dbraw/zinc/18/69/29/556186929.db2.gz JZRDMPMIPOVXQS-UHFFFAOYSA-N -1 0 461.547 4.749 50 0 JJAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(-c2ccc(N3CCCCCC3)nn2)cc1 ZINC000016960143 556190401 /nfs/dbraw/zinc/19/04/01/556190401.db2.gz ZCZZHKNFOVZVJV-UHFFFAOYSA-N -1 0 472.998 4.987 50 0 JJAARM O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@@H]32)C(=O)N1c1ccc(Cl)cc1 ZINC000017015363 556204341 /nfs/dbraw/zinc/20/43/41/556204341.db2.gz TUSIZAYFGRZUIH-YIXXDRMTSA-N -1 0 486.959 4.701 50 0 JJAARM C[C@@H](SCc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[n-]1)C(=O)NCc1cccs1 ZINC000025689186 556229795 /nfs/dbraw/zinc/22/97/95/556229795.db2.gz CDQOLDVLDILZTO-GFCCVEGCSA-N -1 0 459.593 4.790 50 0 JJAARM O=C(c1ccccc1)N1CCCc2ccc([N-]S(=O)(=O)c3ccccc3Br)cc21 ZINC000017178222 556233077 /nfs/dbraw/zinc/23/30/77/556233077.db2.gz DESUTBNCPYBIIV-UHFFFAOYSA-N -1 0 471.376 4.843 50 0 JJAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1csc(-c2ccc(OC(F)(F)F)cc2)n1 ZINC000030819202 556374777 /nfs/dbraw/zinc/37/47/77/556374777.db2.gz CFNUKKFXHVQOEA-IBGZPJMESA-N -1 0 489.475 4.545 50 0 JJAARM Cc1c2c(cc(=O)n1CCc1c[nH]c3ccc(Cl)cc13)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000030822910 556375176 /nfs/dbraw/zinc/37/51/76/556375176.db2.gz JISGRJRKXWMFGV-UHFFFAOYSA-N -1 0 475.961 4.776 50 0 JJAARM CC(=O)Nc1ccc(C2=N/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C(=O)O2)cc1 ZINC000032099442 556416010 /nfs/dbraw/zinc/41/60/10/556416010.db2.gz UJDJIFAGQRHQBY-YBFXNURJSA-N -1 0 450.834 4.601 50 0 JJAARM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)c1cccs1 ZINC000032110010 556420450 /nfs/dbraw/zinc/42/04/50/556420450.db2.gz LTXNMENQDYADBQ-UHFFFAOYSA-N -1 0 463.389 4.657 50 0 JJAARM CCc1ccc(NC(=O)CSc2nc3c(sc(=S)n3-c3cccc(OC)c3)c(=O)[n-]2)cc1 ZINC000032948274 556563466 /nfs/dbraw/zinc/56/34/66/556563466.db2.gz HZEVYUNICIXBFY-UHFFFAOYSA-N -1 0 484.628 4.807 50 0 JJAARM COc1ccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)[n-]2)cc1 ZINC000032948435 556563966 /nfs/dbraw/zinc/56/39/66/556563966.db2.gz GGXNIUVWEXXCHS-UHFFFAOYSA-N -1 0 470.601 4.553 50 0 JJAARM CCOc1ccccc1NC(=O)CSc1nc2c(sc(=S)n2-c2ccc(C)cc2)c(=O)[n-]1 ZINC000032948621 556564347 /nfs/dbraw/zinc/56/43/47/556564347.db2.gz CHHYMYUKBUGPNS-UHFFFAOYSA-N -1 0 484.628 4.943 50 0 JJAARM CSc1cccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3)c(=O)[n-]2)c1 ZINC000032948550 556564419 /nfs/dbraw/zinc/56/44/19/556564419.db2.gz ANCVEJDZOHKBBC-UHFFFAOYSA-N -1 0 472.642 4.957 50 0 JJAARM COC(=O)c1sccc1NC(=O)CSc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000008666988 562948967 /nfs/dbraw/zinc/94/89/67/562948967.db2.gz WEAFUVMMNSMLJL-UHFFFAOYSA-N -1 0 497.019 4.720 50 0 aggregator JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccc3ccccc3n2)ccc1Cl ZINC000008686600 562952864 /nfs/dbraw/zinc/95/28/64/562952864.db2.gz WFDINLZPXIDWEO-UHFFFAOYSA-N -1 0 467.934 4.950 50 0 aggregator JJAARM COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cc(Br)ccc2OC)cc1 ZINC000008720239 569597984 /nfs/dbraw/zinc/59/79/84/569597984.db2.gz KEAPZEDHOCIEDF-UHFFFAOYSA-N -1 0 491.363 4.519 50 0 JJAARM CCCOc1ccc(C(=O)Nc2nnc(SCc3ccc(C(=O)[O-])cc3)s2)cc1OC ZINC000008734434 569601774 /nfs/dbraw/zinc/60/17/74/569601774.db2.gz IOXDPDNAMAIRFZ-UHFFFAOYSA-N -1 0 459.549 4.578 50 0 JJAARM Cc1cccc(N2CCN(c3ccc(C(=O)[O-])cc3NS(=O)(=O)c3ccc(C)cc3C)C[C@@H]2C)c1 ZINC000032971171 569603650 /nfs/dbraw/zinc/60/36/50/569603650.db2.gz QQBRIDKXESCTMD-NRFANRHFSA-N -1 0 493.629 4.826 50 0 JJAARM O=S(=O)([N-]c1ccc(Cn2cnc(-c3nc(-c4ccc(F)cc4)no3)c2)cc1)c1ccccc1F ZINC000032974748 569605887 /nfs/dbraw/zinc/60/58/87/569605887.db2.gz SBCNAPIJKJBGCL-UHFFFAOYSA-N -1 0 493.495 4.727 50 0 JJAARM Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2F)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033007854 569615585 /nfs/dbraw/zinc/61/55/85/569615585.db2.gz SWXMSMGYXAZUSU-UHFFFAOYSA-N -1 0 459.499 4.936 50 0 JJAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc3sc(NC(=O)c4ccccc4)nc3c(C)c2)c1 ZINC000033007827 569615662 /nfs/dbraw/zinc/61/56/62/569615662.db2.gz WGJIFQRXZOEVAZ-UHFFFAOYSA-N -1 0 483.571 4.675 50 0 JJAARM Cn1c2cc([N-]S(=O)(=O)c3cccc(F)c3)c(Sc3ccc(Cl)cc3)cc2n(C)c1=O ZINC000064580879 569620676 /nfs/dbraw/zinc/62/06/76/569620676.db2.gz KZOUVEFRJLLPJS-UHFFFAOYSA-N -1 0 477.970 4.622 50 0 JJAARM Cc1ccc(CC(=O)Nc2ccc(N3CCN(c4cccc(C)c4C)CC3)cc2C(=O)[O-])cc1 ZINC000064590434 569621398 /nfs/dbraw/zinc/62/13/98/569621398.db2.gz PUWDXQPDSBJIEI-UHFFFAOYSA-N -1 0 457.574 4.818 50 0 JJAARM COc1ccc(CC(=O)Nc2ccc(N3CCN(c4cccc(C)c4C)CC3)cc2C(=O)[O-])cc1 ZINC000064590398 569621476 /nfs/dbraw/zinc/62/14/76/569621476.db2.gz FPQVOLITRMTERA-UHFFFAOYSA-N -1 0 473.573 4.518 50 0 biogenic JJAARM CCCOc1c2cc([N-]S(=O)(=O)c3cc(C)ccc3NC(C)=O)ccc2sc1C(=O)OC ZINC000033123572 569621669 /nfs/dbraw/zinc/62/16/69/569621669.db2.gz FYWGGGAJNDFMTI-UHFFFAOYSA-N -1 0 476.576 4.544 50 0 JJAARM CCc1ccccc1[N-]S(=O)(=O)c1ccc(/C=C/c2onc(C)c2NC(=O)C2CC2)s1 ZINC000033306604 569622602 /nfs/dbraw/zinc/62/26/02/569622602.db2.gz FRZPAYPQHZCSSV-ZRDIBKRKSA-N -1 0 457.577 4.927 50 0 JJAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)[n-]c1=O ZINC000064774505 569626592 /nfs/dbraw/zinc/62/65/92/569626592.db2.gz UJUKHGNNCBOXBE-CYBMUJFWSA-N -1 0 471.970 4.592 50 0 JJAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(S[C@@H](C)C(=O)Nc2cc(C)cc(C)c2)[n-]c1=O ZINC000064774541 569626725 /nfs/dbraw/zinc/62/67/25/569626725.db2.gz MNNCDDZBBMDGOF-INIZCTEOSA-N -1 0 465.579 4.556 50 0 JJAARM CC[C@H](Sc1nnc(-c2ccccc2NC(C)=O)c(=O)[n-]1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000064774686 569626897 /nfs/dbraw/zinc/62/68/97/569626897.db2.gz MXJRECUZZLOEFP-KRWDZBQOSA-N -1 0 475.933 4.505 50 0 JJAARM Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3NC(=O)c3ccccc3)c(=O)[n-]2)c1C ZINC000064774747 569627043 /nfs/dbraw/zinc/62/70/43/569627043.db2.gz NZINUNBXEBLDCH-UHFFFAOYSA-N -1 0 485.569 4.844 50 0 JJAARM COc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)c(OC)c1OC ZINC000064796004 569630190 /nfs/dbraw/zinc/63/01/90/569630190.db2.gz NRUVVHJTEGPNFN-OAHLLOKOSA-N -1 0 453.516 4.922 50 0 JJAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(Nc2cc(C)nc(N3CCCCC3)n2)cc1 ZINC000064802134 569631791 /nfs/dbraw/zinc/63/17/91/569631791.db2.gz FFHCPRNPXIDTHH-UHFFFAOYSA-N -1 0 467.595 4.637 50 0 JJAARM Cc1nn(C)c(C)c1CCCN(C)c1ccc(C(=O)[O-])cc1NC(=O)c1cccc(Cl)c1 ZINC000064820760 569636130 /nfs/dbraw/zinc/63/61/30/569636130.db2.gz FHMSOROTFOIOEW-UHFFFAOYSA-N -1 0 454.958 4.710 50 0 JJAARM Cc1ccc(N2CCCN(Cc3ccc(F)c(F)c3)C2=O)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000034737766 569654583 /nfs/dbraw/zinc/65/45/83/569654583.db2.gz JUAQQVGEXLZJNU-UHFFFAOYSA-N -1 0 471.529 4.906 50 0 JJAARM CC[C@H](C)NC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000065059745 569655029 /nfs/dbraw/zinc/65/50/29/569655029.db2.gz PBIGGLKDHORUKT-ZDUSSCGKSA-N -1 0 465.984 4.918 50 0 JJAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Oc2nc3ccccc3n3cnnc23)cc1 ZINC000065096406 569660858 /nfs/dbraw/zinc/66/08/58/569660858.db2.gz CUKKUXAICVDMPW-UHFFFAOYSA-N -1 0 481.921 4.533 50 0 JJAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc(-c3c(CC)noc3NC(C)=O)ccc2C)c1 ZINC000065116383 569666445 /nfs/dbraw/zinc/66/64/45/569666445.db2.gz SXWNCIFOIGLXOT-UHFFFAOYSA-N -1 0 487.578 4.769 50 0 JJAARM CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c1 ZINC000065116222 569666451 /nfs/dbraw/zinc/66/64/51/569666451.db2.gz JLXPHTQEOJNFMT-UHFFFAOYSA-N -1 0 499.467 4.570 50 0 JJAARM CCOc1cc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(C(F)(F)F)c4)c32)ccc1O ZINC000066087898 569676768 /nfs/dbraw/zinc/67/67/68/569676768.db2.gz IIVZSDMLFHLYIK-HNNXBMFYSA-N -1 0 460.408 4.773 50 0 JJAARM CCCCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2cccc(C)c2)cc1C(=O)[O-] ZINC000035397579 569688323 /nfs/dbraw/zinc/68/83/23/569688323.db2.gz OSFFYEKFINJAOG-UHFFFAOYSA-N -1 0 453.564 4.696 50 0 JJAARM CSc1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C(C)=O)cc2)cc1 ZINC000071328660 569697086 /nfs/dbraw/zinc/69/70/86/569697086.db2.gz OUPIVYWHYQWYJO-JOCHJYFZSA-N -1 0 479.579 4.943 50 0 JJAARM CCOc1ccc2cc([C@@H]3CC(c4ccc(F)cc4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc2c1 ZINC000079047200 569706706 /nfs/dbraw/zinc/70/67/06/569706706.db2.gz YIJYQSXOPJJCSG-NRFANRHFSA-N -1 0 469.900 4.969 50 0 JJAARM COc1ccccc1-c1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=C1NC(=O)N(Cc2ccccc2)C1=O ZINC000035829412 569712886 /nfs/dbraw/zinc/71/28/86/569712886.db2.gz GQIKRHIQXCVAHL-KQWNVCNZSA-N -1 0 494.551 4.963 50 0 JJAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCc2ccc(Cl)cc2)cc1 ZINC000089980316 569720701 /nfs/dbraw/zinc/72/07/01/569720701.db2.gz UDMAXSTYEWEJLT-UHFFFAOYSA-N -1 0 481.965 4.655 50 0 JJAARM O=C([O-])[C@H](CC(=O)OC12CC3CC(CC(C3)C1)C2)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095495857 569725335 /nfs/dbraw/zinc/72/53/35/569725335.db2.gz VLMHFLIBCSCIRT-QDPBCONJSA-N -1 0 489.568 4.880 50 0 JJAARM Cc1cccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3ccco3)=NN2C(=O)CCC(=O)[O-])c1 ZINC000095945224 569730871 /nfs/dbraw/zinc/73/08/71/569730871.db2.gz ZWDGLISILCNLIO-QHCPKHFHSA-N -1 0 468.513 4.983 50 0 JJAARM COC(=O)C[C@@H](c1cc(OC)cc(OC)c1)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096115723 569734645 /nfs/dbraw/zinc/73/46/45/569734645.db2.gz IXFWTFHYDYHNBI-NRFANRHFSA-N -1 0 476.481 4.583 50 0 biogenic JJAARM COC(=O)C[C@H](c1cccc(OC)c1OC)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096116008 569735128 /nfs/dbraw/zinc/73/51/28/569735128.db2.gz RHDYZGYXXNPEEH-QGZVFWFLSA-N -1 0 476.481 4.583 50 0 biogenic JJAARM COC(=O)C[C@H](c1cc(F)c(F)c(F)c1)c1c(=O)cc([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096118433 569736172 /nfs/dbraw/zinc/73/61/72/569736172.db2.gz BPMYYQLYFKYTPG-CQSZACIVSA-N -1 0 470.399 4.984 50 0 JJAARM COC(=O)C[C@@H]1c2c(nc3sccn32)Oc2cc([O-])c3c(=O)c(-c4ccc(OC)cc4)coc3c21 ZINC000096222092 569739291 /nfs/dbraw/zinc/73/92/91/569739291.db2.gz ZOYDYUPXFAGNER-AWEZNQCLSA-N -1 0 490.493 4.684 50 0 biogenic JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)N[C@@H]4CCC[C@@H](C)[C@H]4C)c3=O)c2c1 ZINC000036092917 569756752 /nfs/dbraw/zinc/75/67/52/569756752.db2.gz QZYYJTASRLKQIG-IIDMSEBBSA-N -1 0 456.612 4.660 50 0 JJAARM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000100626319 569765848 /nfs/dbraw/zinc/76/58/48/569765848.db2.gz OVBRODNAMZDVAL-VXNXHJTFSA-N -1 0 478.932 4.717 50 0 JJAARM CCc1cccc(C(C)C)c1NC(=O)C(=O)C(=C([O-])c1ccccc1O)[C@@H]1OC(=O)c2ccccc21 ZINC000100721772 569767782 /nfs/dbraw/zinc/76/77/82/569767782.db2.gz VWZPYIZREPALSR-WNCULLNHSA-N -1 0 485.536 4.996 50 0 JJAARM CN1C(=O)[C@]2(CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2Cl)c2cc(F)ccc21 ZINC000036357176 569771853 /nfs/dbraw/zinc/77/18/53/569771853.db2.gz QIGNVLBJNRIDDQ-JOCHJYFZSA-N -1 0 456.882 4.511 50 0 JJAARM O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCC(c3nc4ccccc4o3)CC2)c2ccc(Cl)cc21 ZINC000036357436 569771993 /nfs/dbraw/zinc/77/19/93/569771993.db2.gz BPXDEASGQJXKOI-QFIPXVFZSA-N -1 0 467.909 4.526 50 0 JJAARM CCOC(=O)[C@H]1CCCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2Cl)C1 ZINC000036370405 569773419 /nfs/dbraw/zinc/77/34/19/569773419.db2.gz QBXWPHPCMVDGLK-KSSFIOAISA-N -1 0 486.981 4.774 50 0 JJAARM O=S(=O)([N-]c1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(c1ccccc1)=N2)c1ccccc1 ZINC000101018161 569779561 /nfs/dbraw/zinc/77/95/61/569779561.db2.gz NIOCZZPEPMNWSU-OAQYLSRUSA-N -1 0 463.950 4.788 50 0 JJAARM CCOc1ccc(-c2nc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C)c(Cl)c5)c(=O)c3=4)c(C)o2)cc1 ZINC000101110812 569783204 /nfs/dbraw/zinc/78/32/04/569783204.db2.gz XHAJYZWHSZKWIK-SFTDATJTSA-N -1 0 479.924 4.504 50 0 JJAARM CCOc1ccc(-c2nc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C)c(Cl)c5)c(=O)c3=4)c(C)o2)cc1 ZINC000101110816 569783223 /nfs/dbraw/zinc/78/32/23/569783223.db2.gz XHAJYZWHSZKWIK-NHCUHLMSSA-N -1 0 479.924 4.504 50 0 JJAARM COc1ccccc1-n1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@@H](c3sccc3C)C2)c1=O ZINC000101495403 569800352 /nfs/dbraw/zinc/80/03/52/569800352.db2.gz KUAAUCQNGAZTNJ-HXUWFJFHSA-N -1 0 491.594 4.968 50 0 JJAARM Cc1[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c(=O)c1CC(=O)N(C)Cc1ccccc1 ZINC000101505599 569801188 /nfs/dbraw/zinc/80/11/88/569801188.db2.gz CWBJGQAUIPFDQC-UHFFFAOYSA-N -1 0 452.967 4.864 50 0 JJAARM O=c1[nH]c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(O)cc3)C2)c(=O)n1-c1ccc(Cl)cc1 ZINC000101766725 569804844 /nfs/dbraw/zinc/80/48/44/569804844.db2.gz OSHDZICUJCRORW-OAQYLSRUSA-N -1 0 491.956 4.948 50 0 JJAARM COc1cc(NC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(C)c(C)c5)nc-4c3c2)cc(OC)c1OC ZINC000101827916 569805348 /nfs/dbraw/zinc/80/53/48/569805348.db2.gz NISPMHAATFEXSH-UHFFFAOYSA-N -1 0 498.539 4.714 50 0 JJAARM COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(F)c4)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000102707640 569816533 /nfs/dbraw/zinc/81/65/33/569816533.db2.gz PCGMEDOSPGFPJK-BHDDXSALSA-N -1 0 452.869 4.539 50 0 JJAARM COc1cc(OC)c([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4Cl)c32)cc1OC ZINC000040266281 569823198 /nfs/dbraw/zinc/82/31/98/569823198.db2.gz JFCVYGSTLLFZJB-ZDUSSCGKSA-N -1 0 456.882 4.978 50 0 JJAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2[C@H](c2cccc(Br)c2)C1 ZINC000102820712 569824119 /nfs/dbraw/zinc/82/41/19/569824119.db2.gz YYQKNAUIUUGRNT-KRWDZBQOSA-N -1 0 473.714 4.535 50 0 JJAARM Cc1cc2nc(CSc3ccccc3[N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)cc(=O)n2o1 ZINC000041089673 569837387 /nfs/dbraw/zinc/83/73/87/569837387.db2.gz NBFKPVSBBJHWBN-UHFFFAOYSA-N -1 0 496.397 4.996 50 0 JJAARM COc1cccc2cc([C@@H]3CC(c4ccc(F)cc4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc21 ZINC000170612621 569872842 /nfs/dbraw/zinc/87/28/42/569872842.db2.gz ZQVPHKCDGHBFNS-SFHVURJKSA-N -1 0 455.873 4.578 50 0 JJAARM CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(O)c(OCC)c4)[C@@H]3C2=O)cc1 ZINC000230007092 570043438 /nfs/dbraw/zinc/04/34/38/570043438.db2.gz FRXKTFLXEFCHHX-JIMJEQGWSA-N -1 0 488.540 4.631 50 0 JJAARM CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccc(OC)c4)[C@@H]3C2=O)cc1 ZINC000230001199 570043469 /nfs/dbraw/zinc/04/34/69/570043469.db2.gz FTVXESHJNBLTRS-ISJGIBHGSA-N -1 0 458.514 4.535 50 0 JJAARM CC(=O)[C@@H]1[C@H](C(=O)c2cccs2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000245310373 570063165 /nfs/dbraw/zinc/06/31/65/570063165.db2.gz IMVYVTQUFREZRA-UDFVPUEDSA-N -1 0 454.551 4.619 50 0 JJAARM CC(=O)[N-]S(=O)(=O)c1ccc(N=c2ssc3c2-c2cc(C)ccc2N(C)C3(C)C)cc1 ZINC000252676918 570093885 /nfs/dbraw/zinc/09/38/85/570093885.db2.gz XVTLRZDHWFYGOD-UHFFFAOYSA-N -1 0 473.645 4.527 50 0 JJAARM COc1cc([C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)c2c([O-])cc(C)oc2=O)cc2c1OCO2 ZINC000253471002 570099194 /nfs/dbraw/zinc/09/91/94/570099194.db2.gz JTOTWYYIIGMNQE-CQSZACIVSA-N -1 0 492.311 4.859 50 0 JJAARM COc1ccc([C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)c2c([O-])cc(C)oc2=O)cc1O ZINC000253471343 570099262 /nfs/dbraw/zinc/09/92/62/570099262.db2.gz PWEKDJJCHQRYGM-AWEZNQCLSA-N -1 0 464.301 4.836 50 0 JJAARM COc1ccc([C@H](CC(=O)Nc2ccc(OC(F)(F)F)cc2)c2c([O-])cc(C)oc2=O)cc1 ZINC000253471275 570099299 /nfs/dbraw/zinc/09/92/99/570099299.db2.gz OPFGQKVPCXTPJR-SFHVURJKSA-N -1 0 463.408 4.722 50 0 JJAARM COC(=O)C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(=O)CCC(=O)[O-])CC[C@]4(C)[C@H]3CC(=O)[C@@]21C ZINC000257346882 570151964 /nfs/dbraw/zinc/15/19/64/570151964.db2.gz CQMZFUHXKMOZCK-NELYVLFESA-N -1 0 490.637 4.800 50 0 JJAARM COC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000001110660 194027150 /nfs/dbraw/zinc/02/71/50/194027150.db2.gz WRKKMMDQFYSSRT-UHFFFAOYSA-N -1 0 472.950 4.797 50 0 JJAARM O=C([O-])c1ccc(Oc2ccc(C(=O)c3ccc4c(c3)C(=O)N(c3ccc(O)cc3)C4=O)cc2)cc1 ZINC000001144270 194046476 /nfs/dbraw/zinc/04/64/76/194046476.db2.gz KVURPOXQFMSCED-UHFFFAOYSA-N -1 0 479.444 4.914 50 0 JJAARM CCOc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(OC)cc2)cc1 ZINC000001156140 194052595 /nfs/dbraw/zinc/05/25/95/194052595.db2.gz KEIWCOFCRXLSEL-UHFFFAOYSA-N -1 0 450.520 4.582 50 0 JJAARM CC(=O)Nc1ccc(NC2=C(CC(=O)[O-])[C@H](c3ccccc3)N(c3ccc(NC(C)=O)cc3)C2=O)cc1 ZINC000001445131 194122205 /nfs/dbraw/zinc/12/22/05/194122205.db2.gz WRJRAQMZLYLHKV-MHZLTWQESA-N -1 0 498.539 4.532 50 0 JJAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3cccc(C)c3C)cc2)c1C ZINC000001786420 194139871 /nfs/dbraw/zinc/13/98/71/194139871.db2.gz HYQVEAYVAOLTHU-UHFFFAOYSA-N -1 0 457.552 4.507 50 0 JJAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1cccc(O)c1)c1ccc(Br)cc1 ZINC000001786861 194140154 /nfs/dbraw/zinc/14/01/54/194140154.db2.gz CJYQBZBBRJPSMR-UHFFFAOYSA-N -1 0 471.336 4.642 50 0 JJAARM Cc1cc([N-]S(=O)(=O)c2ccc(Nc3nc(-c4cc5ccccc5oc4=O)cs3)cc2)no1 ZINC000001794876 194141563 /nfs/dbraw/zinc/14/15/63/194141563.db2.gz VCUBQAUSVZATFG-UHFFFAOYSA-N -1 0 480.527 4.757 50 0 JJAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(Nc3nc(-c4ccccc4)nc4ccccc43)cc2)n1 ZINC000001809203 194144432 /nfs/dbraw/zinc/14/44/32/194144432.db2.gz RNPLGXIQIRJORC-UHFFFAOYSA-N -1 0 468.542 4.940 50 0 JJAARM Cc1c2occ(-c3ccc(F)cc3)c2cc2c(C)c(CC(=O)N3CCC(C(=O)[O-])CC3)c(=O)oc12 ZINC000002116980 194157148 /nfs/dbraw/zinc/15/71/48/194157148.db2.gz MPFXUYGEEAHFHM-UHFFFAOYSA-N -1 0 477.488 4.828 50 0 biogenic JJAARM CN(Cc1ccccc1)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000003215754 194240607 /nfs/dbraw/zinc/24/06/07/194240607.db2.gz ZLOKQHOXRVZXPB-UHFFFAOYSA-N -1 0 459.365 4.522 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(Br)cc2)c1 ZINC000003215530 194240610 /nfs/dbraw/zinc/24/06/10/194240610.db2.gz QIHBNRAVHCEDFT-UHFFFAOYSA-N -1 0 475.364 4.819 50 0 JJAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1sc2cc(F)ccc2c1Cl ZINC000003262815 194255702 /nfs/dbraw/zinc/25/57/02/194255702.db2.gz RGJLSTPUDRJWNF-UHFFFAOYSA-N -1 0 462.915 4.537 50 0 JJAARM O=C([O-])CCCCCNC(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1-c1ccc(Cl)cc1 ZINC000003277434 194260737 /nfs/dbraw/zinc/26/07/37/194260737.db2.gz KHCXTEQUXWODEA-UHFFFAOYSA-N -1 0 498.008 4.922 50 0 JJAARM COC(=O)c1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000003328157 194284070 /nfs/dbraw/zinc/28/40/70/194284070.db2.gz HUDYZUDODOSOFU-UHFFFAOYSA-N -1 0 474.951 4.676 50 0 JJAARM CCOc1ccc(OCCSc2nc3cc(C(=O)[O-])ccc3c(=O)n2Cc2ccccc2)cc1 ZINC000003394603 194311950 /nfs/dbraw/zinc/31/19/50/194311950.db2.gz ASYUKRZYXRTNFM-UHFFFAOYSA-N -1 0 476.554 4.713 50 0 JJAARM O=C(Oc1cccc2cccnc21)c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1 ZINC000003635613 194345120 /nfs/dbraw/zinc/34/51/20/194345120.db2.gz YONOGJAXRFKJHT-UHFFFAOYSA-N -1 0 455.495 4.803 50 0 JJAARM CCOc1cc([C@H]2N[C@H](C(=O)[O-])CS2)cc(Br)c1OCc1cccc(C)c1 ZINC000003642634 194347478 /nfs/dbraw/zinc/34/74/78/194347478.db2.gz CVAHMCRBFKAUSB-LPHOPBHVSA-N -1 0 452.370 4.523 50 0 JJAARM CCOC(=O)C1C(C)=Nc2nc(SCc3ccc(C(=O)[O-])cc3)nn2[C@@H]1c1ccc(Cl)cc1 ZINC000004148422 194381385 /nfs/dbraw/zinc/38/13/85/194381385.db2.gz MKSIYRPXHPKMSA-LJQANCHMSA-N -1 0 484.965 4.774 50 0 JJAARM CCOC(=O)C1C(C)=Nc2nc(SCc3ccc(C(=O)[O-])cc3)nn2[C@H]1c1ccc(Cl)cc1 ZINC000004148417 194381467 /nfs/dbraw/zinc/38/14/67/194381467.db2.gz MKSIYRPXHPKMSA-IBGZPJMESA-N -1 0 484.965 4.774 50 0 JJAARM CC(C)(C)OC(=O)N[C@@H](C[C@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000004284385 194386996 /nfs/dbraw/zinc/38/69/96/194386996.db2.gz VJLMKRMQAHWPID-HXOBKFHXSA-N -1 0 480.561 4.768 50 0 JJAARM CC(C)(C)OC(=O)N1CCC[C@H]1C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000004284379 194387046 /nfs/dbraw/zinc/38/70/46/194387046.db2.gz IHZFLORRBDPBPS-GAJHUEQPSA-N -1 0 480.561 4.768 50 0 JJAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N[C@@H](C)c2ccccc2)cc1 ZINC000004647551 194393596 /nfs/dbraw/zinc/39/35/96/194393596.db2.gz KFRXDEFKVZKEQN-INIZCTEOSA-N -1 0 461.547 4.562 50 0 JJAARM Cc1ccc(NC(=O)[C@]2(CC(=O)[O-])CC(c3ccccc3OCc3ccccc3)=NO2)c(C)c1 ZINC000009058602 194516618 /nfs/dbraw/zinc/51/66/18/194516618.db2.gz VBRCCOYNBQOYMQ-HHHXNRCGSA-N -1 0 458.514 4.859 50 0 JJAARM COc1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000009220094 194605462 /nfs/dbraw/zinc/60/54/62/194605462.db2.gz QPTVOZUPGCWGMB-UHFFFAOYSA-N -1 0 467.522 4.688 50 0 JJAARM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2Cl)c1C ZINC000009355966 194710855 /nfs/dbraw/zinc/71/08/55/194710855.db2.gz JQSSJLBSTXOPKK-UHFFFAOYSA-N -1 0 484.021 4.720 50 0 JJAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]12 ZINC000009860968 195001558 /nfs/dbraw/zinc/00/15/58/195001558.db2.gz LEPDSAHNOZDVCS-CCQQUTMYSA-N -1 0 464.304 4.629 50 0 JJAARM COc1ccc(C(=O)Nc2ccc(F)cc2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000009913404 195022675 /nfs/dbraw/zinc/02/26/75/195022675.db2.gz YFCWFROHMYUSIE-UHFFFAOYSA-N -1 0 479.327 4.650 50 0 JJAARM O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000009871937 195006579 /nfs/dbraw/zinc/00/65/79/195006579.db2.gz NEVBKXJCPBHQKT-UHFFFAOYSA-N -1 0 475.979 4.581 50 0 JJAARM COc1c(F)c(F)c(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H](C)c2ccccc2)c(F)c1F ZINC000012605324 195050440 /nfs/dbraw/zinc/05/04/40/195050440.db2.gz OIYMQYREDMKHKG-LBPRGKRZSA-N -1 0 482.455 4.543 50 0 JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(Cc4ccc(C(=O)NC5CCC(C)CC5)cc4)c3=O)c2c1 ZINC000009969253 195042352 /nfs/dbraw/zinc/04/23/52/195042352.db2.gz JWTOCZKWPFXGIC-UHFFFAOYSA-N -1 0 476.602 4.906 50 0 JJAARM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)o1 ZINC000012628879 195061235 /nfs/dbraw/zinc/06/12/35/195061235.db2.gz ZDPIIABNJKZPSH-JAIQZWGSSA-N -1 0 480.473 4.767 50 0 JJAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)sc2c1 ZINC000012629102 195061485 /nfs/dbraw/zinc/06/14/85/195061485.db2.gz JSLXPRXKNWTVJI-SJORKVTESA-N -1 0 487.578 4.996 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)c2csc(-c3ccccc3)n2)c1 ZINC000012630237 195062382 /nfs/dbraw/zinc/06/23/82/195062382.db2.gz BHUVAAUNCVTTCL-UHFFFAOYSA-N -1 0 481.555 4.577 50 0 JJAARM COc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccccc4)=NN32)c(C(=O)[O-])c1OC ZINC000012660912 195080915 /nfs/dbraw/zinc/08/09/15/195080915.db2.gz DXVSFRSZKJGQIK-UQBPGWFLSA-N -1 0 460.486 4.653 50 0 biogenic JJAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCn4cccc4[C@H]3C)ccc2Cl)cc1 ZINC000012751814 195106424 /nfs/dbraw/zinc/10/64/24/195106424.db2.gz CFVCBDROHUIEHI-MRXNPFEDSA-N -1 0 473.982 4.558 50 0 JJAARM COc1ccc(-c2nc(CSc3nnc(-c4ccc(OC)cc4)n3CCC(=O)[O-])cs2)cc1 ZINC000012789233 195130468 /nfs/dbraw/zinc/13/04/68/195130468.db2.gz GAVNSOWEBUHFIF-UHFFFAOYSA-N -1 0 482.587 4.853 50 0 JJAARM CCOc1cc2[n-]c(=S)n(CCCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c(=O)c2cc1OCC ZINC000020644653 195194412 /nfs/dbraw/zinc/19/44/12/195194412.db2.gz ZNIIEUBXFLCQAK-SOLBZPMBSA-N -1 0 461.628 4.578 50 0 JJAARM O=C([O-])[C@H](c1c[nH]c2ccc(Br)cc21)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000020724301 195206878 /nfs/dbraw/zinc/20/68/78/195206878.db2.gz WOBLYBMETPXVDP-FQEVSTJZSA-N -1 0 462.775 4.527 50 0 JJAARM CCOc1cc2c(cc1OCC)[C@@H](CC(=O)[O-])N(C(=O)Nc1ccccc1Br)CC2 ZINC000021044348 195271311 /nfs/dbraw/zinc/27/13/11/195271311.db2.gz YOLAMTDEPJRVBR-GOSISDBHSA-N -1 0 477.355 4.853 50 0 JJAARM CCOc1cc2c(cc1OCC)[C@H](CC(=O)[O-])N(C(=O)Nc1ccc(Br)cc1F)CC2 ZINC000021044368 195271376 /nfs/dbraw/zinc/27/13/76/195271376.db2.gz NDWPXWQEABXONM-SFHVURJKSA-N -1 0 495.345 4.992 50 0 JJAARM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2ccc(Oc3cccc(C(N)=O)c3)nc2)c1Cl ZINC000058171152 195370968 /nfs/dbraw/zinc/37/09/68/195370968.db2.gz UJBBTQDMICBWRJ-UHFFFAOYSA-N -1 0 466.346 4.697 50 0 JJAARM CC(=O)c1ccc([N-]S(=O)(=O)c2c3oc(C(=O)N4CCCC4)c(C)c3cc(C)c2C)cc1 ZINC000065010414 518386157 /nfs/dbraw/zinc/38/61/57/518386157.db2.gz MDBIDXQEMMZFGR-UHFFFAOYSA-N -1 0 454.548 4.597 50 0 JJAARM CC(C)C(=O)Nc1ccc2nc(N3CCN(c4ccccc4Cl)CC3)cc(C(=O)[O-])c2c1 ZINC000033260665 519526164 /nfs/dbraw/zinc/52/61/64/519526164.db2.gz HVNWEYOBHFKWHL-UHFFFAOYSA-N -1 0 452.942 4.508 50 0 JJAARM CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)s1 ZINC000033306427 519702396 /nfs/dbraw/zinc/70/23/96/519702396.db2.gz OGILWYRJHZCRDJ-VQHVLOKHSA-N -1 0 451.957 4.936 50 0 JJAARM CC(=O)Nc1ccc(C)cc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)[n-]c1=O ZINC000021882658 519713568 /nfs/dbraw/zinc/71/35/68/519713568.db2.gz IARFCHWTBMJILI-GFCCVEGCSA-N -1 0 491.495 4.649 50 0 JJAARM CC(=O)Nc1ccc(Sc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000024993433 519732568 /nfs/dbraw/zinc/73/25/68/519732568.db2.gz RQLRRBXQQPHNHW-UHFFFAOYSA-N -1 0 468.535 4.679 50 0 JJAARM CC(C)CN1c2ccc(F)cc2[C@@]2(CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)C1=O ZINC000036360103 519732975 /nfs/dbraw/zinc/73/29/75/519732975.db2.gz ZYEHFYGOPBNMBD-RUZDIDTESA-N -1 0 464.518 4.883 50 0 JJAARM CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000006077017 519834162 /nfs/dbraw/zinc/83/41/62/519834162.db2.gz DBEBJSLNMCOTMJ-LFYBBSHMSA-N -1 0 486.644 4.594 50 0 JJAARM CCOc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc3nsnc32)cc1 ZINC000002356112 521139765 /nfs/dbraw/zinc/13/97/65/521139765.db2.gz KJKMZTVHKCLOQK-UHFFFAOYSA-N -1 0 478.559 4.578 50 0 JJAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(C)cc2C)[n-]c1=O ZINC000021882727 521204774 /nfs/dbraw/zinc/20/47/74/521204774.db2.gz QOQJEUJKLNFXEA-MRXNPFEDSA-N -1 0 465.579 4.637 50 0 JJAARM COc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000016225481 521970596 /nfs/dbraw/zinc/97/05/96/521970596.db2.gz DHLNPVXHXYTJDJ-HCGGYXKBSA-N -1 0 465.886 4.576 50 0 JJAARM CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000016399825 522223766 /nfs/dbraw/zinc/22/37/66/522223766.db2.gz ABEZNRFHZOZMTI-GOSISDBHSA-N -1 0 465.575 4.576 50 0 JJAARM CCc1nc2sc([C@H](c3ccccc3F)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000022854764 522540023 /nfs/dbraw/zinc/54/00/23/522540023.db2.gz FWRXTTXHKDEHAI-FQEVSTJZSA-N -1 0 471.989 4.763 50 0 JJAARM COc1ccc(-c2cnn3c2nc(C)cc3C)cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000033171389 523155516 /nfs/dbraw/zinc/15/55/16/523155516.db2.gz ULFYENUFRIDSRU-UHFFFAOYSA-N -1 0 476.480 4.841 50 0 JJAARM COc1ccc(-c2cnn3c2nc(C)cc3C)cc1S(=O)(=O)[N-]c1cccc(SC)c1 ZINC000033171417 523156024 /nfs/dbraw/zinc/15/60/24/523156024.db2.gz PVDOTQCUEQBIJR-UHFFFAOYSA-N -1 0 454.577 4.544 50 0 JJAARM CCn1c(CCc2cccc([N-]S(=O)(=O)c3cc(C)ccc3NC(C)=O)c2)nc2ccccc21 ZINC000033275375 523183151 /nfs/dbraw/zinc/18/31/51/523183151.db2.gz GRWFQFSGIUUKEH-UHFFFAOYSA-N -1 0 476.602 4.909 50 0 JJAARM COc1ccc(-c2nc(=O)c3sc4nc(C(F)(F)F)cc(C)c4c3[n-]2)cc1Cn1cccn1 ZINC000022707513 523227611 /nfs/dbraw/zinc/22/76/11/523227611.db2.gz LHNSAFLNIDSQFG-UHFFFAOYSA-N -1 0 471.464 4.780 50 0 JJAARM CCn1c2ccccc2c2cc([C@@H]3NC(=O)N[C@](O)(C(F)(F)F)C3=C([O-])c3cccs3)ccc21 ZINC000012524527 523278096 /nfs/dbraw/zinc/27/80/96/523278096.db2.gz ADTTWUFQVCWSED-SXWKCWPCSA-N -1 0 487.503 4.980 50 0 JJAARM COc1ccc(C(=O)N(C)CC2CCCCC2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000024970745 523600528 /nfs/dbraw/zinc/60/05/28/523600528.db2.gz GSDKOXOSGSWVQA-UHFFFAOYSA-N -1 0 495.439 4.911 50 0 JJAARM CN1C(=O)[C@]2(CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(Cl)cc2)c2cc(F)ccc21 ZINC000036359379 523726738 /nfs/dbraw/zinc/72/67/38/523726738.db2.gz QAKHDNODZPCVDW-JOCHJYFZSA-N -1 0 456.882 4.511 50 0 JJAARM COc1ccc(C(=O)Nc2ccc(N3CCN(c4ccc(Cl)cc4)CC3)c(C(=O)[O-])c2)cc1 ZINC000033078515 523751582 /nfs/dbraw/zinc/75/15/82/523751582.db2.gz FXVCLILYKBLXKW-UHFFFAOYSA-N -1 0 465.937 4.626 50 0 JJAARM COc1ccc(C2(c3nc(-c4ccc([N-]S(=O)(=O)c5cccs5)cc4)no3)CC2)cc1 ZINC000033276478 523870983 /nfs/dbraw/zinc/87/09/83/523870983.db2.gz PIVZTKXTKULGBL-UHFFFAOYSA-N -1 0 453.545 4.687 50 0 JJAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cc4cccc(C)c4nc3Cl)C2)cc1 ZINC000004111289 523874895 /nfs/dbraw/zinc/87/48/95/523874895.db2.gz XWTTVGPAPPDRKG-HXUWFJFHSA-N -1 0 451.910 4.748 50 0 JJAARM Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCN(c4ccccc4F)CC3)c(C(=O)[O-])c2)c(C)c1 ZINC000033253123 524325425 /nfs/dbraw/zinc/32/54/25/524325425.db2.gz VKHJIQVNRKAZEX-UHFFFAOYSA-N -1 0 497.592 4.577 50 0 JJAARM COc1ccccc1NC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2C)c(=O)[n-]1 ZINC000016840441 524596761 /nfs/dbraw/zinc/59/67/61/524596761.db2.gz GANIKRPPSWULON-UHFFFAOYSA-N -1 0 470.601 4.553 50 0 JJAARM Cc1cccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3c(Cl)cccc3Cl)cc2)n1 ZINC000008746759 524608696 /nfs/dbraw/zinc/60/86/96/524608696.db2.gz XOELRQIQMUMINV-UHFFFAOYSA-N -1 0 450.347 4.679 50 0 JJAARM Cc1cccc(NC(=O)c2cc3cc(Br)cc(Br)c3o/c2=N\[O-])c1 ZINC000013896471 524661213 /nfs/dbraw/zinc/66/12/13/524661213.db2.gz DJDJYQDVZLIZOU-FXBPSFAMSA-N -1 0 452.102 4.808 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2c3oc(C(=O)N4CCCCC4)c(C)c3cc(C)c2C)cc1OC ZINC000065010567 524682948 /nfs/dbraw/zinc/68/29/48/524682948.db2.gz NZEGRSQDCSQOJH-UHFFFAOYSA-N -1 0 486.590 4.802 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccc(F)cc4)no3)sc2C)cc1OC ZINC000046141360 524684955 /nfs/dbraw/zinc/68/49/55/524684955.db2.gz CASBBTTZNZECNO-UHFFFAOYSA-N -1 0 475.523 4.731 50 0 JJAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3nc(-c4ccc(F)cc4)cc(OC)c3c2)c1 ZINC000033292725 524882016 /nfs/dbraw/zinc/88/20/16/524882016.db2.gz IKSNCGZMCARXAP-UHFFFAOYSA-N -1 0 468.506 4.868 50 0 JJAARM Cc1cccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCN(Cc3ccccc3)CC2)c1 ZINC000022795392 524886389 /nfs/dbraw/zinc/88/63/89/524886389.db2.gz CBHWZMMGUDSOQS-HSZRJFAPSA-N -1 0 485.613 4.972 50 0 JJAARM COc1ccc(S(=O)(=O)Nc2ccc(N3CCC(Cc4ccccc4)CC3)c(C(=O)[O-])c2)cc1 ZINC000033253338 525083977 /nfs/dbraw/zinc/08/39/77/525083977.db2.gz RKKFBFHAFMGGBJ-UHFFFAOYSA-N -1 0 480.586 4.653 50 0 JJAARM Cc1cc2c(nc3s/c(=C\c4ccc(-c5ccc(Cl)c(C(=O)[O-])c5)o4)c(=O)n32)c(C)c1 ZINC000016676222 525624778 /nfs/dbraw/zinc/62/47/78/525624778.db2.gz HFYHPRVQAZPVTK-GRSHGNNSSA-N -1 0 450.903 4.685 50 0 JJAARM Cc1c(O[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000002152475 525882828 /nfs/dbraw/zinc/88/28/28/525882828.db2.gz WSHNOFKKEWNFQJ-CPJSRVTESA-N -1 0 499.563 4.580 50 0 biogenic JJAARM C[C@@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000006142023 525933692 /nfs/dbraw/zinc/93/36/92/525933692.db2.gz BAUJIQPZQUOMNX-CRICUBBOSA-N -1 0 496.519 4.521 50 0 biogenic JJAARM C[C@@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000006142021 525934533 /nfs/dbraw/zinc/93/45/33/525934533.db2.gz BAUJIQPZQUOMNX-NSYGIPOTSA-N -1 0 496.519 4.521 50 0 JJAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)c2oc1C(=O)N1CCOCC1 ZINC000065010806 525943104 /nfs/dbraw/zinc/94/31/04/525943104.db2.gz NBQXJDSKWYYVAK-UHFFFAOYSA-N -1 0 476.982 4.593 50 0 JJAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3cc(Cl)ccc3C)c2oc1C(=O)N1CCOCC1 ZINC000065010762 525943370 /nfs/dbraw/zinc/94/33/70/525943370.db2.gz WRQFXUCMBZLHON-UHFFFAOYSA-N -1 0 476.982 4.593 50 0 JJAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2oc1C(=O)N1CCOCC1 ZINC000065010742 525945144 /nfs/dbraw/zinc/94/51/44/525945144.db2.gz OHLIEXZCWONROM-UHFFFAOYSA-N -1 0 496.507 4.650 50 0 JJAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCC1CCC(C(=O)[O-])CC1)oc1c3CCCC1 ZINC000002153486 525963723 /nfs/dbraw/zinc/96/37/23/525963723.db2.gz XPTZETHJLVURLN-UHFFFAOYSA-N -1 0 465.546 4.666 50 0 biogenic JJAARM COc1cccc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)c1OCc1ccccc1F ZINC000004638997 526041838 /nfs/dbraw/zinc/04/18/38/526041838.db2.gz AEZBSRKJPWRQMI-UHFFFAOYSA-N -1 0 466.509 4.560 50 0 JJAARM COc1cccc(N2CCN(c3cc(C(=O)[O-])c4cc(NC(=O)c5ccccc5C)ccc4n3)CC2)c1 ZINC000033260651 526157315 /nfs/dbraw/zinc/15/73/15/526157315.db2.gz APRBTYRSKDXQGV-UHFFFAOYSA-N -1 0 496.567 4.829 50 0 JJAARM Cc1ccc2nc(N3CCC(Cc4ccccc4)CC3)c(/C=C3/SC(=S)N=C3[O-])c(=O)n2c1 ZINC000033362447 526252217 /nfs/dbraw/zinc/25/22/17/526252217.db2.gz LPVNBBPTSWZPIB-XSFVSMFZSA-N -1 0 476.627 4.791 50 0 JJAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000020478359 526270518 /nfs/dbraw/zinc/27/05/18/526270518.db2.gz YTPZZZULCXTICZ-HZPDHXFCSA-N -1 0 471.362 4.624 50 0 JJAARM Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cn2CC(=O)N2CCCCC2)n1 ZINC000033307670 526300272 /nfs/dbraw/zinc/30/02/72/526300272.db2.gz FGGDXORGTJLUKR-UHFFFAOYSA-N -1 0 493.054 4.695 50 0 JJAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000020478355 526319722 /nfs/dbraw/zinc/31/97/22/526319722.db2.gz YTPZZZULCXTICZ-HOTGVXAUSA-N -1 0 471.362 4.624 50 0 JJAARM [O-]c1c([C@@H](c2ccc(F)cc2)N2CCN(Cc3ccccc3)CC2)sc2nc(-c3ccco3)nn12 ZINC000022795378 526331382 /nfs/dbraw/zinc/33/13/82/526331382.db2.gz ARQXLAGWDBTLAX-JOCHJYFZSA-N -1 0 489.576 4.803 50 0 JJAARM O=C([O-])c1cc(N2CCN(c3ccccc3Cl)CC2)ccc1NC(=O)Cc1cccs1 ZINC000045967748 526349077 /nfs/dbraw/zinc/34/90/77/526349077.db2.gz XCTKKILBFGEMST-UHFFFAOYSA-N -1 0 455.967 4.608 50 0 JJAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3cccc(C)c3C)c2)sc1C(=O)N1CCCC1 ZINC000065116874 526623594 /nfs/dbraw/zinc/62/35/94/526623594.db2.gz NUGQBLQBXUFNSG-UHFFFAOYSA-N -1 0 461.634 4.834 50 0 JJAARM O=C(NCc1ccccc1)c1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000047997893 526737381 /nfs/dbraw/zinc/73/73/81/526737381.db2.gz YPQUFNGWQLGADZ-UHFFFAOYSA-N -1 0 479.783 4.833 50 0 JJAARM Cc1occc1-c1nnc(SCC(=O)Nc2cc(C(=O)[O-])ccc2C)n1Cc1ccccc1 ZINC000013345510 526797870 /nfs/dbraw/zinc/79/78/70/526797870.db2.gz OPZMJIZEFALIEI-UHFFFAOYSA-N -1 0 462.531 4.632 50 0 JJAARM O=C(COc1cccc(F)c1)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000015913335 526977005 /nfs/dbraw/zinc/97/70/05/526977005.db2.gz OXABFQWAZKFIFN-UHFFFAOYSA-N -1 0 469.321 4.951 50 0 JJAARM Cc1nc2sc([C@@H](c3ccccc3Cl)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000022627190 527207037 /nfs/dbraw/zinc/20/70/37/527207037.db2.gz JQGKGVVKPRQYKP-LJQANCHMSA-N -1 0 457.962 4.509 50 0 JJAARM Cc1nc2sc([C@H](c3cccc(C)c3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000022627104 527207209 /nfs/dbraw/zinc/20/72/09/527207209.db2.gz HGQUKNXDAPNFOC-FQEVSTJZSA-N -1 0 453.999 4.678 50 0 JJAARM Cc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000023157222 527207310 /nfs/dbraw/zinc/20/73/10/527207310.db2.gz DDHHALFBFSPNNN-QFIPXVFZSA-N -1 0 465.598 4.979 50 0 JJAARM O=C([O-])C12C[C@H]3C[C@@H](C1)CC(n1ncc(Nc4ccc(F)c(Cl)c4)c(Cl)c1=O)(C3)C2 ZINC000016385556 527559978 /nfs/dbraw/zinc/55/99/78/527559978.db2.gz LCCJEJLYGBCCGJ-RXLCVDQRSA-N -1 0 452.313 4.813 50 0 JJAARM Cc1nn(-c2nc3ccc(Br)cc3s2)c2c1[C@@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 ZINC000021660672 527570842 /nfs/dbraw/zinc/57/08/42/527570842.db2.gz XTWNYZIDTVAWLH-CQSZACIVSA-N -1 0 483.347 4.725 50 0 JJAARM O=C([O-])COc1ccc(/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)cc1 ZINC000033039521 527616189 /nfs/dbraw/zinc/61/61/89/527616189.db2.gz SJZXGHXTRXOOEW-CIAFOILYSA-N -1 0 467.399 4.896 50 0 JJAARM O=C([O-])COc1ccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4F)nc3O2)cc1 ZINC000004643077 527618861 /nfs/dbraw/zinc/61/88/61/527618861.db2.gz KNZKJSXJOBAEJM-HSZRJFAPSA-N -1 0 490.516 4.937 50 0 JJAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3Cl)CC2)cc1 ZINC000000627106 527657665 /nfs/dbraw/zinc/65/76/65/527657665.db2.gz GBDWIDIPKDVUDA-RBUKOAKNSA-N -1 0 474.388 4.926 50 0 JJAARM FC(F)(F)c1cc(C2CC2)n(CCc2nnc([N-]c3ccn(Cc4ccccc4)n3)s2)n1 ZINC000002809378 527679374 /nfs/dbraw/zinc/67/93/74/527679374.db2.gz YMVWALYRZMCOGV-UHFFFAOYSA-N -1 0 459.501 4.862 50 0 JJAARM C[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000000665411 553741682 /nfs/dbraw/zinc/74/16/82/553741682.db2.gz OBQQMBYXDFBFGB-CYBMUJFWSA-N -1 0 465.394 4.802 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccc(Br)cc2)c1 ZINC000000710976 553766714 /nfs/dbraw/zinc/76/67/14/553766714.db2.gz VDSHKNCTIOLKKQ-UHFFFAOYSA-N -1 0 461.337 4.511 50 0 JJAARM COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@H]1C(=O)[O-] ZINC000001156833 553918902 /nfs/dbraw/zinc/91/89/02/553918902.db2.gz STBDFWORRHYEAL-KXTAGPOFSA-N -1 0 472.497 4.996 50 0 JJAARM COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H](C(=O)[O-])[C@H]2C(=O)c2cccc3c2CCCC3)cc1 ZINC000001236704 553937060 /nfs/dbraw/zinc/93/70/60/553937060.db2.gz CXOXMHMDZVNXID-JQVVWYNYSA-N -1 0 481.595 4.514 50 0 JJAARM Cc1cc(C)c(S(=O)(=O)N=C2C=C(Nc3cccc(C(=O)[O-])c3)C(=O)c3ccccc32)cc1C ZINC000001795784 553991084 /nfs/dbraw/zinc/99/10/84/553991084.db2.gz ZJFMJJAFJBWEIO-XAYXJRQQSA-N -1 0 474.538 4.680 50 0 JJAARM Cc1coc2c1cc1c(C)c(CCC(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)[O-])c(=O)oc1c2C ZINC000002098714 554041801 /nfs/dbraw/zinc/04/18/01/554041801.db2.gz CVLRAGWVBCVUHJ-OAQYLSRUSA-N -1 0 481.932 4.863 50 0 biogenic JJAARM Cc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)[O-])C(=O)N32)c1 ZINC000002114650 554052803 /nfs/dbraw/zinc/05/28/03/554052803.db2.gz ICEJIDFPILKNOG-UPVQGACJSA-N -1 0 451.482 4.657 50 0 biogenic JJAARM CSCC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)oc(C)c3-c1ccccc1)C(=O)[O-] ZINC000002116702 554053695 /nfs/dbraw/zinc/05/36/95/554053695.db2.gz RHYGVQJHIBPZQT-FQEVSTJZSA-N -1 0 479.554 4.688 50 0 biogenic JJAARM CCN1C(=O)S/C(=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C1=O ZINC000002116887 554053748 /nfs/dbraw/zinc/05/37/48/554053748.db2.gz MJMONFHHTZDQIB-YVLHZVERSA-N -1 0 462.321 4.783 50 0 JJAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)cc2)no1 ZINC000002135607 554061851 /nfs/dbraw/zinc/06/18/51/554061851.db2.gz MXYJAXLNPPFCLA-UHFFFAOYSA-N -1 0 492.582 4.578 50 0 JJAARM CCC[C@H](NC(=O)Cc1c(C)c2cc3c(-c4ccc(F)cc4)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002158427 554073368 /nfs/dbraw/zinc/07/33/68/554073368.db2.gz OXYZPYXMYIGXDZ-NRFANRHFSA-N -1 0 465.477 4.874 50 0 biogenic JJAARM O=C([O-])c1cccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2Cl)c1 ZINC000002235602 554107612 /nfs/dbraw/zinc/10/76/12/554107612.db2.gz YMSBCBHAUWYZKS-UHFFFAOYSA-N -1 0 454.895 4.610 50 0 JJAARM CCOC(=O)c1sc([N-]c2ncc(C(=O)OCC)c(CSc3ccc(C)cc3)n2)nc1C ZINC000002353057 554162440 /nfs/dbraw/zinc/16/24/40/554162440.db2.gz QDCLFGXKKNHVJO-UHFFFAOYSA-N -1 0 472.592 4.939 50 0 JJAARM CCOC(=O)c1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000002407457 554189854 /nfs/dbraw/zinc/18/98/54/554189854.db2.gz YMFRTOALGWYNCQ-UHFFFAOYSA-N -1 0 476.558 4.968 50 0 JJAARM COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc3nsnc32)cc1Cl ZINC000002414257 554193956 /nfs/dbraw/zinc/19/39/56/554193956.db2.gz IXZWEJKRBVKIGY-UHFFFAOYSA-N -1 0 498.977 4.841 50 0 JJAARM Cc1ccc(-n2c3nc(SCC(=O)NCc4ccccc4)[n-]c(=O)c3sc2=S)c(C)c1 ZINC000002452447 554219589 /nfs/dbraw/zinc/21/95/89/554219589.db2.gz NFJBTDIRTLFTPW-UHFFFAOYSA-N -1 0 468.629 4.530 50 0 JJAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1N1CCOCC1)c1cc(Cl)ccc1Cl ZINC000002633577 554254586 /nfs/dbraw/zinc/25/45/86/554254586.db2.gz ADZCQDBITSGAQO-UHFFFAOYSA-N -1 0 455.285 4.650 50 0 JJAARM Cc1c(Br)cnn1Cc1nnc([N-]c2ccn(Cc3c(F)cccc3Cl)n2)s1 ZINC000002730660 554314601 /nfs/dbraw/zinc/31/46/01/554314601.db2.gz YKRDBUXCKIVPKW-UHFFFAOYSA-N -1 0 482.770 4.635 50 0 JJAARM Cc1nn(Cc2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)cc1Br ZINC000002730846 554314960 /nfs/dbraw/zinc/31/49/60/554314960.db2.gz XZORLUGZUFGOIY-UHFFFAOYSA-N -1 0 482.770 4.635 50 0 JJAARM Cc1c(Br)cnn1CCc1nnc([N-]c2ccn(Cc3ccccc3Cl)n2)s1 ZINC000002732646 554316654 /nfs/dbraw/zinc/31/66/54/554316654.db2.gz HXCBRZTUYMGVFP-UHFFFAOYSA-N -1 0 478.807 4.690 50 0 JJAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1)Nc1cccc2ccccc21 ZINC000002765849 554333703 /nfs/dbraw/zinc/33/37/03/554333703.db2.gz XUYHLKUQDHYLBS-UHFFFAOYSA-N -1 0 453.911 4.728 50 0 JJAARM CCCCc1ccc(S(=O)(=O)[N-]NC(=S)Nc2ccc(Br)cc2Cl)cc1 ZINC000002851048 554378946 /nfs/dbraw/zinc/37/89/46/554378946.db2.gz VMWNCXFLKKRXML-UHFFFAOYSA-N -1 0 476.849 4.625 50 0 JJAARM O=C([O-])C1CCC(Cn2c(=O)c3sccc3nc2SCC(=O)c2ccc(Cl)cc2)CC1 ZINC000002932243 554412039 /nfs/dbraw/zinc/41/20/39/554412039.db2.gz OMWQVYWNINRVPW-UHFFFAOYSA-N -1 0 477.007 4.977 50 0 JJAARM O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc2c(=O)n(Cc3ccco3)c(=S)[n-]c2c1 ZINC000002970914 554413988 /nfs/dbraw/zinc/41/39/88/554413988.db2.gz SKMRVAOVDNQZKC-UHFFFAOYSA-N -1 0 460.342 4.563 50 0 JJAARM CCCC[C@@H](CC)CNC(=O)c1ccc(Cn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)cc1 ZINC000002975396 554415257 /nfs/dbraw/zinc/41/52/57/554415257.db2.gz LRWDKHBCGFYLLM-MRXNPFEDSA-N -1 0 467.591 4.782 50 0 JJAARM O=C(C1CCC(Cn2c(=O)c3ccccc3[n-]c2=S)CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000002975978 554415758 /nfs/dbraw/zinc/41/57/58/554415758.db2.gz KWMLNDBZZCRTCH-UHFFFAOYSA-N -1 0 497.064 4.868 50 0 JJAARM CCCCCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C(=O)[O-])c4ccccc4C3c3ccccc32)cc1 ZINC000006472269 554543429 /nfs/dbraw/zinc/54/34/29/554543429.db2.gz LHMICCDGFSGTEI-BBYYJEGRSA-N -1 0 481.548 4.891 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-][S@](=O)OC2(c3ccccc3)c3ccccc3-c3ccccc32)cc1 ZINC000008383804 554567140 /nfs/dbraw/zinc/56/71/40/554567140.db2.gz JZWJEEPBNQRLFB-YTTGMZPUSA-N -1 0 475.591 4.841 50 0 JJAARM O=C([O-])/C(=C/C(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1)c1ccccc1 ZINC000008438850 554589880 /nfs/dbraw/zinc/58/98/80/554589880.db2.gz TVDIZUCLEMLGGL-HKOYGPOVSA-N -1 0 461.949 4.773 50 0 JJAARM COc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c(Br)cc1OCC(=O)[O-] ZINC000008438835 554589935 /nfs/dbraw/zinc/58/99/35/554589935.db2.gz IOUDGCRLWRFSEO-SOFYXZRVSA-N -1 0 498.738 4.815 50 0 JJAARM O=C([O-])/C(=C/C(=O)Nc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cc1)c1ccccc1 ZINC000008438852 554589940 /nfs/dbraw/zinc/58/99/40/554589940.db2.gz GJEQVHGFEOZEFK-HKOYGPOVSA-N -1 0 461.949 4.773 50 0 JJAARM COC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000008444455 554593957 /nfs/dbraw/zinc/59/39/57/554593957.db2.gz SREUXJMFLPMDPL-KBPBESRZSA-N -1 0 466.353 4.794 50 0 JJAARM Cc1cc2nc3s/c(=C/c4ccc(-c5ccc(Cl)c(C(=O)[O-])c5)o4)c(=O)n3c2cc1C ZINC000008816673 554698791 /nfs/dbraw/zinc/69/87/91/554698791.db2.gz YZJVXHBESZEGQF-KEBDBYFISA-N -1 0 450.903 4.685 50 0 JJAARM CSc1cccc(NC(=O)COC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000008826185 554715406 /nfs/dbraw/zinc/71/54/06/554715406.db2.gz VTMNPMHMKGBNBL-UHFFFAOYSA-N -1 0 490.990 4.658 50 0 JJAARM O=C1CCc2cc([N-]S(=O)(=O)c3ccccc3Br)ccc2N1Cc1ccccc1 ZINC000008840635 554740010 /nfs/dbraw/zinc/74/00/10/554740010.db2.gz ICXWLGHSZOOSAH-UHFFFAOYSA-N -1 0 471.376 4.729 50 0 JJAARM Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N3CCC(C(=O)[O-])(c4ccccc4)CC3)c(C)c21 ZINC000008879134 554774768 /nfs/dbraw/zinc/77/47/68/554774768.db2.gz RJWISXIOZBQGNJ-UHFFFAOYSA-N -1 0 473.525 4.652 50 0 biogenic JJAARM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)c1 ZINC000008961517 554837915 /nfs/dbraw/zinc/83/79/15/554837915.db2.gz VXSYPPFEYFZNFZ-UHFFFAOYSA-N -1 0 452.532 4.749 50 0 JJAARM O=C(Nc1ccc2c(c1)OCO2)c1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000009130163 554929235 /nfs/dbraw/zinc/92/92/35/554929235.db2.gz QDYZHSUJWYRJRN-UHFFFAOYSA-N -1 0 471.343 4.837 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCSc3ccc(F)cc3)ccc2OC)cc1 ZINC000009130253 554929640 /nfs/dbraw/zinc/92/96/40/554929640.db2.gz PSSOTWXWAZNEHC-UHFFFAOYSA-N -1 0 490.578 4.765 50 0 JJAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3OCc3ccccc3)cc2)no1 ZINC000009138219 554933453 /nfs/dbraw/zinc/93/34/53/554933453.db2.gz LEAYKKPRJAXGNA-UHFFFAOYSA-N -1 0 463.515 4.615 50 0 JJAARM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCC(C)(C)C(=O)N2CC(C)C ZINC000009168340 554952359 /nfs/dbraw/zinc/95/23/59/554952359.db2.gz UTIDZPYCPJSVCZ-UHFFFAOYSA-N -1 0 460.596 4.602 50 0 JJAARM COc1cc2nc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(C)cc3)sc2cc1OC ZINC000009186840 554959097 /nfs/dbraw/zinc/95/90/97/554959097.db2.gz PWVBPJCEUSACDQ-UHFFFAOYSA-N -1 0 483.571 4.675 50 0 JJAARM Cc1ccc(N2N=C(C(=O)c3ccccc3)C3=C([O-])N(c4cccc(Cl)c4C)C(=O)[C@H]32)cc1 ZINC000009281204 555050209 /nfs/dbraw/zinc/05/02/09/555050209.db2.gz QKUJSRDZUJTHIE-GGAORHGYSA-N -1 0 457.917 4.574 50 0 JJAARM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2OC)cc1 ZINC000009283023 555053283 /nfs/dbraw/zinc/05/32/83/555053283.db2.gz FGRMWYPPHHWIAB-UHFFFAOYSA-N -1 0 459.499 4.678 50 0 JJAARM COc1ccccc1NC(=O)CSc1nc([O-])c(Cc2ccccc2)c(=O)n1-c1ccc(C)cc1 ZINC000009331048 555101113 /nfs/dbraw/zinc/10/11/13/555101113.db2.gz KZOUUVUVHMJZSZ-UHFFFAOYSA-N -1 0 487.581 4.577 50 0 JJAARM CCCCCC[C@H](NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000009354894 555119368 /nfs/dbraw/zinc/11/93/68/555119368.db2.gz NYXBHHRBLADTBL-IFRHDIGASA-N -1 0 456.970 4.959 50 0 JJAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1C(=O)N1CCCC1 ZINC000009356459 555121672 /nfs/dbraw/zinc/12/16/72/555121672.db2.gz GTFCURPDJMFGBU-UHFFFAOYSA-N -1 0 452.532 4.524 50 0 JJAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccccc1SCc1ccccc1F ZINC000009378605 555140311 /nfs/dbraw/zinc/14/03/11/555140311.db2.gz ZGKGQFMUNRZGMQ-UHFFFAOYSA-N -1 0 494.573 4.961 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1 ZINC000009392115 555156471 /nfs/dbraw/zinc/15/64/71/555156471.db2.gz HAXNKFMBCFALTR-UHFFFAOYSA-N -1 0 488.569 4.977 50 0 JJAARM COc1ccc(-c2[nH]nc3nc(-c4ccc(OC)c(Br)c4)cc(C(=O)[O-])c32)cc1 ZINC000009406678 555167482 /nfs/dbraw/zinc/16/74/82/555167482.db2.gz KRAOZPARGXNJNX-UHFFFAOYSA-N -1 0 454.280 4.770 50 0 JJAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3coc4cc(C)cc(C)c34)cc2)c1C ZINC000009409303 555173836 /nfs/dbraw/zinc/17/38/36/555173836.db2.gz BYPUGULUEBGUHA-UHFFFAOYSA-N -1 0 453.520 4.636 50 0 JJAARM CCc1cccc(NC(=O)c2ccc3c([O-])c(S(=O)(=O)c4ccc(Cl)cc4)c(=O)[nH]c3c2)c1 ZINC000009429689 555197051 /nfs/dbraw/zinc/19/70/51/555197051.db2.gz OCPNFBKFVLVPST-UHFFFAOYSA-N -1 0 482.945 4.535 50 0 JJAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cc4cc(C)ccc4nc3Cl)C2)cc1OC ZINC000009434101 555204927 /nfs/dbraw/zinc/20/49/27/555204927.db2.gz VRXPMYFZFCNDEJ-FQEVSTJZSA-N -1 0 481.936 4.756 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc(Cl)cc2C)c1 ZINC000009443633 555216237 /nfs/dbraw/zinc/21/62/37/555216237.db2.gz RENDDWFYAXDLDY-UHFFFAOYSA-N -1 0 474.966 4.784 50 0 JJAARM CCOc1cc(/C=C(/NC(C)=O)C(=O)[O-])cc(Cl)c1OCc1cccc(Br)c1 ZINC000009461235 555228661 /nfs/dbraw/zinc/22/86/61/555228661.db2.gz JCLDHPQVIKVJQM-RQZCQDPDSA-N -1 0 468.731 4.642 50 0 JJAARM Cc1nc2ccc([N-]S(=O)(=O)c3cc(Br)ccc3Br)cc2s1 ZINC000009466122 555241789 /nfs/dbraw/zinc/24/17/89/555241789.db2.gz QDHLQKRGFGSJRE-UHFFFAOYSA-N -1 0 462.188 4.931 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000009471842 555254942 /nfs/dbraw/zinc/25/49/42/555254942.db2.gz VXVYITAJHDOVBQ-UHFFFAOYSA-N -1 0 468.922 4.752 50 0 JJAARM COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H](C(=O)[O-])[C@@H]2C(=O)c2cccc3c2CCCC3)cc1 ZINC000009489426 555264340 /nfs/dbraw/zinc/26/43/40/555264340.db2.gz CXOXMHMDZVNXID-CNNODRBYSA-N -1 0 481.595 4.514 50 0 JJAARM O=c1ccc(-c2ccc(S(=O)(=O)[N-]c3ccc(Oc4ccc(Cl)cc4)cc3)s2)n[nH]1 ZINC000009504415 555289527 /nfs/dbraw/zinc/28/95/27/555289527.db2.gz OLRBSEMWUMOPDK-UHFFFAOYSA-N -1 0 459.936 4.745 50 0 JJAARM COc1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000009509773 555298135 /nfs/dbraw/zinc/29/81/35/555298135.db2.gz DYDCOQPKQNCMIZ-UHFFFAOYSA-N -1 0 474.966 4.784 50 0 JJAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1cccc(-c2ccc(N3CCCCC3)nn2)c1 ZINC000009529527 555323742 /nfs/dbraw/zinc/32/37/42/555323742.db2.gz OJJUELYNHMTZAV-UHFFFAOYSA-N -1 0 452.580 4.560 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)COc2ccccc2Cl)ccc1Cl ZINC000009633208 555335912 /nfs/dbraw/zinc/33/59/12/555335912.db2.gz SLHWKENGLBIUSQ-UHFFFAOYSA-N -1 0 481.357 4.820 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000013138991 555336101 /nfs/dbraw/zinc/33/61/01/555336101.db2.gz RAOVWYLQWBXOKM-UHFFFAOYSA-N -1 0 474.604 4.594 50 0 JJAARM COc1cc2c(cc1OC)[C@H](c1ccc(Br)cc1)N(C(=O)c1ccccc1C(=O)[O-])CC2 ZINC000013139023 555336158 /nfs/dbraw/zinc/33/61/58/555336158.db2.gz SAYVSOOBQWONOW-QHCPKHFHSA-N -1 0 496.357 4.952 50 0 JJAARM O=C(Nc1c(F)cc(F)cc1Br)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000009546230 555340692 /nfs/dbraw/zinc/34/06/92/555340692.db2.gz LGLHZMGFIRPSLA-UHFFFAOYSA-N -1 0 473.320 4.842 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCCOc3ccccc3)ccc2Cl)cc1 ZINC000009562867 555364501 /nfs/dbraw/zinc/36/45/01/555364501.db2.gz HDJYRVPRMQDEKZ-UHFFFAOYSA-N -1 0 474.966 4.947 50 0 JJAARM COc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccc(-c2cn3ccc(C)nc3n2)cc1 ZINC000009572188 555368889 /nfs/dbraw/zinc/36/88/89/555368889.db2.gz NTGGBLOWTGBAAU-UHFFFAOYSA-N -1 0 450.564 4.812 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(NC(=O)Nc4ccc5c(c4)OCO5)ccc3s2)cc1 ZINC000013347591 555377986 /nfs/dbraw/zinc/37/79/86/555377986.db2.gz WPQUEEQGIUUYBZ-UHFFFAOYSA-N -1 0 482.543 4.778 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)NCCc4ccccc4)cc3s2)cc1 ZINC000013349063 555378922 /nfs/dbraw/zinc/37/89/22/555378922.db2.gz PIWLVAZXXMBSEP-UHFFFAOYSA-N -1 0 466.588 4.770 50 0 JJAARM COc1cc(NC(=O)Nc2ccccc2)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000013349540 555379845 /nfs/dbraw/zinc/37/98/45/555379845.db2.gz OBQMZXPXLBOHRB-UHFFFAOYSA-N -1 0 454.533 4.750 50 0 JJAARM COc1cc(NC(=O)Nc2ccccc2OC)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000013349570 555379877 /nfs/dbraw/zinc/37/98/77/555379877.db2.gz VVMSAOQBKOARSS-UHFFFAOYSA-N -1 0 484.559 4.758 50 0 JJAARM O=C(NCCCn1ccc2ccccc21)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000009671615 555391487 /nfs/dbraw/zinc/39/14/87/555391487.db2.gz AXVMYXCTFGMJDR-UHFFFAOYSA-N -1 0 474.007 4.977 50 0 JJAARM COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)N(C)Cc3cccs3)ccc2C)cc1Cl ZINC000009592955 555407736 /nfs/dbraw/zinc/40/77/36/555407736.db2.gz UNYHFMITXDFQJF-UHFFFAOYSA-N -1 0 495.022 4.800 50 0 JJAARM [O-]c1c([C@@H](c2cccs2)N2CCN(c3ccc(F)cc3)CC2)sc2nc(-c3ccco3)nn12 ZINC000009715843 555448487 /nfs/dbraw/zinc/44/84/87/555448487.db2.gz WPOUJVYANCQWNU-LJQANCHMSA-N -1 0 481.578 4.869 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000009746074 555477959 /nfs/dbraw/zinc/47/79/59/555477959.db2.gz BDZCOBUJZLUXMM-UHFFFAOYSA-N -1 0 481.357 4.690 50 0 JJAARM CC(C)c1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Oc5ccccc5)cc4)c=3c2=O)cc1 ZINC000009836075 555541430 /nfs/dbraw/zinc/54/14/30/555541430.db2.gz IQQQLCBUOWZNJU-JWQCQUIFSA-N -1 0 483.528 4.534 50 0 JJAARM Cc1ccc(S(=O)(=O)C=C([O-])c2cccc(-c3ccc(I)cc3)c2)cc1 ZINC000010034860 555601980 /nfs/dbraw/zinc/60/19/80/555601980.db2.gz NGBJLSIVGGXCRU-UHFFFAOYSA-N -1 0 476.335 4.923 50 0 JJAARM O=C(CSC1=NC(=O)C(Cc2ccccc2)C([O-])=N1)N(C1CCCCC1)C1CCCCC1 ZINC000010059018 555608754 /nfs/dbraw/zinc/60/87/54/555608754.db2.gz LDIVOFIBILRMQY-UHFFFAOYSA-N -1 0 455.624 4.652 50 0 JJAARM O=C([O-])c1ccccc1[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2ON1c1ccccc1 ZINC000013786998 555619331 /nfs/dbraw/zinc/61/93/31/555619331.db2.gz CYGRNZCJXKWIRB-ISJGIBHGSA-N -1 0 464.477 4.589 50 0 JJAARM Cc1cc(C)nc(O[C@H](C(=O)[O-])C(OCC(C)C)(c2ccc(F)cc2)c2ccc(F)cc2)n1 ZINC000013897071 555644267 /nfs/dbraw/zinc/64/42/67/555644267.db2.gz CEUXLMUQFKMJEV-JOCHJYFZSA-N -1 0 456.489 4.820 50 0 JJAARM O=C(c1ccc2c(=O)n(Cc3ccccc3Cl)c(=S)[n-]c2c1)N1CCc2ccccc2C1 ZINC000010274396 555670043 /nfs/dbraw/zinc/67/00/43/555670043.db2.gz BWHDPOVBYUKWHF-UHFFFAOYSA-N -1 0 461.974 4.959 50 0 JJAARM O=C(CCCCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)N1CCC(Cc2ccccc2)CC1 ZINC000010274495 555670287 /nfs/dbraw/zinc/67/02/87/555670287.db2.gz NRZXEACWRUFHIY-UHFFFAOYSA-N -1 0 493.629 4.829 50 0 JJAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4F)CC3)ccc2Cl)cc1 ZINC000014154676 555712189 /nfs/dbraw/zinc/71/21/89/555712189.db2.gz QIDWOSHZHLIGDN-UHFFFAOYSA-N -1 0 487.984 4.551 50 0 JJAARM CCn1c(SCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)nnc1-c1cc2ccccc2o1 ZINC000010675277 555731580 /nfs/dbraw/zinc/73/15/80/555731580.db2.gz LCERKPNMCBFARS-UHFFFAOYSA-N -1 0 456.911 4.794 50 0 JJAARM CC(NCCC(c1ccccc1)c1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000020325087 555772879 /nfs/dbraw/zinc/77/28/79/555772879.db2.gz USOGPPJHDFILCD-LKUDQCMESA-N -1 0 453.542 4.664 50 0 JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCCC(=O)N[C@@H](C)c4ccccc4)c3=O)c2c1 ZINC000020329047 555775163 /nfs/dbraw/zinc/77/51/63/555775163.db2.gz DWNDGYVVIVBOAS-INIZCTEOSA-N -1 0 464.591 4.987 50 0 JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(Cc4ccc(C(=O)NC5CCCCC5)cc4)c3=O)c2c1 ZINC000020331174 555776220 /nfs/dbraw/zinc/77/62/20/555776220.db2.gz CWSJTNANPYGZEE-UHFFFAOYSA-N -1 0 462.575 4.660 50 0 JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(Cc4ccc(C(=O)NCc5ccc(C)cc5)cc4)c3=O)c2c1 ZINC000020331232 555776280 /nfs/dbraw/zinc/77/62/80/555776280.db2.gz POMTZADNJCVFDO-UHFFFAOYSA-N -1 0 484.581 4.836 50 0 JJAARM CCc1ccc(NC(=O)CCCCn2c(=O)c3[nH]c4ccc(OC)cc4c3[n-]c2=S)cc1 ZINC000020331516 555776564 /nfs/dbraw/zinc/77/65/64/555776564.db2.gz YWWKULSTFJNLDK-UHFFFAOYSA-N -1 0 450.564 4.920 50 0 JJAARM Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(c4ccccc4C(=O)[O-])C(=O)N32)cc1 ZINC000011766835 555811681 /nfs/dbraw/zinc/81/16/81/555811681.db2.gz KGFKTBGYKGVLBC-ISKFKSNPSA-N -1 0 451.482 4.657 50 0 JJAARM COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)[N-]c1ccc(Br)c(C)c1 ZINC000020580743 555834546 /nfs/dbraw/zinc/83/45/46/555834546.db2.gz UCMZKOYEDLJIBL-UHFFFAOYSA-N -1 0 451.342 4.839 50 0 JJAARM CSCC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)oc(C)c3-c1ccccc1)C(=O)[O-] ZINC000011865565 555840282 /nfs/dbraw/zinc/84/02/82/555840282.db2.gz RHYGVQJHIBPZQT-HXUWFJFHSA-N -1 0 479.554 4.688 50 0 JJAARM O=C([O-])c1cc(I)ccc1N[C@@H]1C(=O)O[C@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000014944428 555841462 /nfs/dbraw/zinc/84/14/62/555841462.db2.gz FJHCODMFLLSCDN-PCCBWWKXSA-N -1 0 499.304 4.852 50 0 JJAARM C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(Br)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000015022359 555863976 /nfs/dbraw/zinc/86/39/76/555863976.db2.gz LXRCRGPDHUKWEN-GJZGRUSLSA-N -1 0 451.386 4.653 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000015418888 555908097 /nfs/dbraw/zinc/90/80/97/555908097.db2.gz ZILOANRMNFPGTH-UHFFFAOYSA-N -1 0 450.438 4.767 50 0 JJAARM O=C(CSc1nc(-c2ccccc2)[n-]c1S(=O)(=O)c1ccccc1)Nc1ccc(F)cc1 ZINC000012112481 555908673 /nfs/dbraw/zinc/90/86/73/555908673.db2.gz PZNPTUSRCXUWAR-UHFFFAOYSA-N -1 0 467.547 4.779 50 0 JJAARM CC(C)(C)OC(=O)N[C@H](Cc1ccc(OC(=O)OCc2ccccc2Br)cc1)C(=O)[O-] ZINC000015721276 555955115 /nfs/dbraw/zinc/95/51/15/555955115.db2.gz UYWMYJQSTUVRHR-GOSISDBHSA-N -1 0 494.338 4.685 50 0 JJAARM [O-]c1c([C@@H](c2ccccc2)N2CCN(c3ccc(F)cc3)CC2)sc2nc(-c3ccco3)nn12 ZINC000022851809 555958567 /nfs/dbraw/zinc/95/85/67/555958567.db2.gz ASKDSAOPQIFBMD-OAQYLSRUSA-N -1 0 475.549 4.807 50 0 JJAARM [O-]c1c([C@@H](c2ccccc2F)N2CCN(c3ccccc3)CC2)sc2nc(-c3ccco3)nn12 ZINC000022852141 555959273 /nfs/dbraw/zinc/95/92/73/555959273.db2.gz RVKWMJCLWAKBSR-OAQYLSRUSA-N -1 0 475.549 4.807 50 0 JJAARM Cc1cccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCN(c3ccccc3)CC2)c1 ZINC000022852338 555959586 /nfs/dbraw/zinc/95/95/86/555959586.db2.gz DTLRUDSNRGMILF-QFIPXVFZSA-N -1 0 471.586 4.976 50 0 JJAARM COc1cccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCc3ccccc3C2)c1 ZINC000022852496 555959831 /nfs/dbraw/zinc/95/98/31/555959831.db2.gz NCUQCPOMDYJWNX-NRFANRHFSA-N -1 0 458.543 4.913 50 0 JJAARM CCc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022854699 555961206 /nfs/dbraw/zinc/96/12/06/555961206.db2.gz PIAZOJARCVZMPW-NRFANRHFSA-N -1 0 468.026 4.619 50 0 JJAARM CCOc1ccc([C@H](c2sc3nc(CC)nn3c2[O-])N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000022854928 555962181 /nfs/dbraw/zinc/96/21/81/555962181.db2.gz UPBUXEPKLILXMB-JOCHJYFZSA-N -1 0 481.597 4.508 50 0 JJAARM COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C(=O)[O-])cc2)cc1 ZINC000015768788 555987369 /nfs/dbraw/zinc/98/73/69/555987369.db2.gz DZNMONHQFQZZQO-OAQYLSRUSA-N -1 0 463.873 4.830 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cccc4c(C)c(C)[nH]c43)ccc2OC)cc1 ZINC000012521096 555992300 /nfs/dbraw/zinc/99/23/00/555992300.db2.gz ULPLQKBCVUXJLB-UHFFFAOYSA-N -1 0 479.558 4.855 50 0 JJAARM Cc1cc(S(=O)(=O)[N-]c2ccccc2-c2nnc3n2CCCCC3)ccc1Br ZINC000012541615 556015892 /nfs/dbraw/zinc/01/58/92/556015892.db2.gz HQABTDZLWBTTFL-UHFFFAOYSA-N -1 0 461.385 4.543 50 0 JJAARM COc1ccc([C@@H]2CC(c3c([O-])n(C)c(=S)n(C)c3=O)=Nc3ccccc3S2)c(OC)c1OC ZINC000015834930 556020029 /nfs/dbraw/zinc/02/00/29/556020029.db2.gz KBRKHGNHERRDLL-SFHVURJKSA-N -1 0 499.614 4.543 50 0 JJAARM Cc1nc2sc([C@H](c3cccc(Cl)c3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000023157793 556026186 /nfs/dbraw/zinc/02/61/86/556026186.db2.gz OPCCMDARFCRADV-IBGZPJMESA-N -1 0 457.962 4.509 50 0 JJAARM O=C(Nc1ccccc1[N-]S(=O)(=O)c1cccs1)c1ccc(OCc2cscn2)cc1 ZINC000023194782 556030594 /nfs/dbraw/zinc/03/05/94/556030594.db2.gz QGDBEPVRMRPOIG-UHFFFAOYSA-N -1 0 471.585 4.837 50 0 JJAARM CCOc1ccc(C(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccccc4)sc3c2)cc1 ZINC000015862101 556035180 /nfs/dbraw/zinc/03/51/80/556035180.db2.gz BVCXLLXAKSZLGA-UHFFFAOYSA-N -1 0 453.545 4.748 50 0 JJAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3sc(NC(=O)C4CCCCC4)nc3c2)c1 ZINC000015870239 556050045 /nfs/dbraw/zinc/05/00/45/556050045.db2.gz PCCRDPHJJSFHLL-UHFFFAOYSA-N -1 0 475.592 4.633 50 0 JJAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NCCc2ccc(F)cc2)c1C ZINC000023438467 556059194 /nfs/dbraw/zinc/05/91/94/556059194.db2.gz DUZADAAECPMEQF-UHFFFAOYSA-N -1 0 454.567 4.833 50 0 JJAARM CCOC(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000015911138 556065164 /nfs/dbraw/zinc/06/51/64/556065164.db2.gz ONBLQLQTDYITSF-UHFFFAOYSA-N -1 0 480.521 4.798 50 0 JJAARM CC(=O)Nc1ccc(Sc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012736804 556105847 /nfs/dbraw/zinc/10/58/47/556105847.db2.gz BEQCFGVYSXATLQ-UHFFFAOYSA-N -1 0 464.572 4.849 50 0 JJAARM COc1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000024192966 556126060 /nfs/dbraw/zinc/12/60/60/556126060.db2.gz ZXFZNIBIQBMOAC-FQEVSTJZSA-N -1 0 473.909 4.819 50 0 JJAARM CC(=O)Nc1cc(C(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)ccc1[O-] ZINC000012923621 556142198 /nfs/dbraw/zinc/14/21/98/556142198.db2.gz VGWOGMNICASKNL-UHFFFAOYSA-N -1 0 456.527 4.845 50 0 JJAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3SC[C@@H]3CCCO3)cc2)c1C ZINC000024757479 556150892 /nfs/dbraw/zinc/15/08/92/556150892.db2.gz DECHJRRBHSYSJJ-SFHVURJKSA-N -1 0 487.603 4.616 50 0 JJAARM CCOC(=O)[C@@H]1CCCN([C@H](c2sc3nc(CC)nn3c2[O-])c2ccc(Cl)cc2Cl)C1 ZINC000016690077 556153087 /nfs/dbraw/zinc/15/30/87/556153087.db2.gz FKOFRYWHPAQGLA-PXAZEXFGSA-N -1 0 483.421 4.730 50 0 JJAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000016960145 556190385 /nfs/dbraw/zinc/19/03/85/556190385.db2.gz CQVIGCJLACTTIV-UHFFFAOYSA-N -1 0 456.951 4.742 50 0 JJAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 ZINC000016960147 556190490 /nfs/dbraw/zinc/19/04/90/556190490.db2.gz YAFYSRJEBIFAIX-UHFFFAOYSA-N -1 0 456.951 4.742 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc2OC)cc1 ZINC000016971047 556192150 /nfs/dbraw/zinc/19/21/50/556192150.db2.gz JPXISGXIDCAXRE-UHFFFAOYSA-N -1 0 470.591 4.660 50 0 JJAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(Nc2nc(C)cc(N3CCCCC3)n2)cc1 ZINC000017026551 556206527 /nfs/dbraw/zinc/20/65/27/556206527.db2.gz YGXYZVQHFBIMKR-UHFFFAOYSA-N -1 0 467.595 4.637 50 0 JJAARM Cc1cc(NC(=O)c2cc3ccccc3o2)n(-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[n-]2)n1 ZINC000017135718 556222532 /nfs/dbraw/zinc/22/25/32/556222532.db2.gz NKXIZSSXAMIYKN-UHFFFAOYSA-N -1 0 479.500 4.631 50 0 JJAARM Cc1ccccc1S(=O)(=O)[N-]c1nc2ccccc2nc1N[C@@H](c1nccn1C)c1ccccc1 ZINC000017590129 556262323 /nfs/dbraw/zinc/26/23/23/556262323.db2.gz UBYLPVCQBLXALN-HSZRJFAPSA-N -1 0 484.585 4.674 50 0 JJAARM COC(=O)[C@]([N-]c1nc2ccc(C(C)C)cc2s1)(NC(=O)c1cccc(OC)c1)C(F)(F)F ZINC000017838049 556268485 /nfs/dbraw/zinc/26/84/85/556268485.db2.gz ZVBJNBSLHFEGOW-OAQYLSRUSA-N -1 0 481.496 4.702 50 0 JJAARM O=C([O-])c1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)s2)cc1 ZINC000018191289 556301246 /nfs/dbraw/zinc/30/12/46/556301246.db2.gz WVUJFSFQRVMSKN-UHFFFAOYSA-N -1 0 470.359 4.853 50 0 JJAARM COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCc4nc(-c5ccc(OC)c(OC)c5)sc4C3)c2c1 ZINC000031813571 556406784 /nfs/dbraw/zinc/40/67/84/556406784.db2.gz YELMKJBYUUCMRM-HSZRJFAPSA-N -1 0 479.558 4.501 50 0 JJAARM COc1cccc2c([C@@H](C(=O)[O-])N3CCc4nc(-c5ccc(OC)c(OC)c5)sc4C3)c[nH]c21 ZINC000031816727 556407413 /nfs/dbraw/zinc/40/74/13/556407413.db2.gz MPDYHPRDFKSFHQ-QHCPKHFHSA-N -1 0 479.558 4.501 50 0 JJAARM O=C([O-])[C@@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)N1CCN(Cc2cccs2)CC1 ZINC000032106375 556417971 /nfs/dbraw/zinc/41/79/71/556417971.db2.gz ZSJBEXXCVDTVCX-RUZDIDTESA-N -1 0 461.587 4.752 50 0 JJAARM COc1ccccc1N1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(Cl)cc2)CC1 ZINC000032946669 556561624 /nfs/dbraw/zinc/56/16/24/556561624.db2.gz OMLKBXMZJOCPHW-UHFFFAOYSA-N -1 0 465.937 4.626 50 0 JJAARM Cc1ccc(-n2c3nc(SCC(=O)Nc4ccccc4C)[n-]c(=O)c3sc2=S)cc1 ZINC000032948617 556564312 /nfs/dbraw/zinc/56/43/12/556564312.db2.gz MAXBJVFTKANHJA-UHFFFAOYSA-N -1 0 454.602 4.852 50 0 JJAARM COc1ccccc1NC(=O)CSc1nc2c(sc(=S)n2-c2ccc(C)cc2)c(=O)[n-]1 ZINC000032948596 556564404 /nfs/dbraw/zinc/56/44/04/556564404.db2.gz FBSWIRFWKFRHFN-UHFFFAOYSA-N -1 0 470.601 4.553 50 0 JJAARM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccco4)c3[C@H]2c2ccc(OCC)cc2)cc1 ZINC000008595827 562944246 /nfs/dbraw/zinc/94/42/46/562944246.db2.gz IPKDRWNSVXFAHM-XMMPIXPASA-N -1 0 457.486 4.995 50 0 JJAARM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccco4)c3[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000008595792 562944265 /nfs/dbraw/zinc/94/42/65/562944265.db2.gz GEOPKSGLHGUJHX-XMMPIXPASA-N -1 0 473.485 4.613 50 0 JJAARM COc1cc(/C=C(\C(=O)[O-])c2ccc(S(=O)(=O)N3CCCC3)s2)ccc1OCCC(C)C ZINC000009442346 562956204 /nfs/dbraw/zinc/95/62/04/562956204.db2.gz IDJCUWCWVPWWJR-JXAWBTAJSA-N -1 0 479.620 4.591 50 0 JJAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cc4ccc(C)cc4nc3Cl)C2)cc1 ZINC000008441221 569590308 /nfs/dbraw/zinc/59/03/08/569590308.db2.gz WIJYRCHNDXKOJQ-NRFANRHFSA-N -1 0 451.910 4.748 50 0 JJAARM O=C([O-])[C@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc2ccccc21 ZINC000008700671 569593667 /nfs/dbraw/zinc/59/36/67/569593667.db2.gz BUZJFSDHZCMMQV-CLJLJLNGSA-N -1 0 453.494 4.865 50 0 JJAARM COc1ccc(NC(=O)CCSc2ccc(F)cc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000008725719 569600422 /nfs/dbraw/zinc/60/04/22/569600422.db2.gz GTNWKVVUXOYRAC-UHFFFAOYSA-N -1 0 478.542 4.895 50 0 JJAARM Cc1cccc(N2CCN(c3ccc(NS(=O)(=O)c4ccc(C)cc4C)cc3C(=O)[O-])C[C@H]2C)c1 ZINC000032962120 569602926 /nfs/dbraw/zinc/60/29/26/569602926.db2.gz VFBLUSBQURQYLS-OAQYLSRUSA-N -1 0 493.629 4.826 50 0 JJAARM Cc1cccc(N2CCN(c3ccc(C(=O)[O-])cc3NS(=O)(=O)c3ccc(C)c(C)c3)C[C@H]2C)c1 ZINC000032971172 569603728 /nfs/dbraw/zinc/60/37/28/569603728.db2.gz ZEIRZMUCJCTLMO-OAQYLSRUSA-N -1 0 493.629 4.826 50 0 JJAARM O=C1C([O-])=C(S(=O)(=O)c2ccccc2)[C@H](c2ccccc2)N1c1ccc(Br)cc1 ZINC000064557915 569618377 /nfs/dbraw/zinc/61/83/77/569618377.db2.gz ZHIJBXKTLBRYCQ-IBGZPJMESA-N -1 0 470.344 4.781 50 0 JJAARM COc1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccc(SC)cc2)cc1 ZINC000064557812 569618339 /nfs/dbraw/zinc/61/83/39/569618339.db2.gz SUPBSFFMJGOXCI-NRFANRHFSA-N -1 0 467.568 4.749 50 0 JJAARM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccc(CC)cc2)cc1 ZINC000064557902 569618342 /nfs/dbraw/zinc/61/83/42/569618342.db2.gz YAFVAEAAXGTALL-QHCPKHFHSA-N -1 0 491.565 4.757 50 0 JJAARM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000064557896 569618359 /nfs/dbraw/zinc/61/83/59/569618359.db2.gz UZMJVYFSWYXONI-JOCHJYFZSA-N -1 0 477.538 4.503 50 0 JJAARM Cn1c2cc([N-]S(=O)(=O)c3ccccc3Cl)c(Sc3ccc(F)cc3)cc2n(C)c1=O ZINC000064580864 569620669 /nfs/dbraw/zinc/62/06/69/569620669.db2.gz QQYNRDIXADYEAY-UHFFFAOYSA-N -1 0 477.970 4.622 50 0 JJAARM O=C([O-])c1cc(N2CCN(Cc3ccccc3F)CC2)ccc1NC(=O)c1ccccc1Cl ZINC000064589281 569620863 /nfs/dbraw/zinc/62/08/63/569620863.db2.gz HLQKWZFPLSDNLD-UHFFFAOYSA-N -1 0 467.928 4.752 50 0 JJAARM Cc1ccn2c(=O)cc(CSc3ccccc3[N-]S(=O)(=O)c3ccc(Cl)cc3)nc2c1 ZINC000033026263 569621203 /nfs/dbraw/zinc/62/12/03/569621203.db2.gz HQILSRVATNVPOC-UHFFFAOYSA-N -1 0 471.991 4.749 50 0 JJAARM CCc1ccc(N2[N-]C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1 ZINC000033293773 569622436 /nfs/dbraw/zinc/62/24/36/569622436.db2.gz UNUQIJFRNGQDOU-HYARGMPZSA-N -1 0 462.933 4.951 50 0 JJAARM Cc1noc(/C=C/c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)s2)c1NC(=O)C1CC1 ZINC000033306624 569622514 /nfs/dbraw/zinc/62/25/14/569622514.db2.gz CISYREHBQIJXLO-JXMROGBWSA-N -1 0 457.577 4.981 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2cccc(-c3nc(-c4ccc(C)cc4)no3)c2)c(OC)c1 ZINC000064747780 569626142 /nfs/dbraw/zinc/62/61/42/569626142.db2.gz BGACYTUHOSTHNF-UHFFFAOYSA-N -1 0 451.504 4.530 50 0 JJAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cccc(-c3nc(-c4ccc(C)cc4)no3)c2)c1 ZINC000064747794 569626179 /nfs/dbraw/zinc/62/61/79/569626179.db2.gz CDIVHXVIHJQPMN-UHFFFAOYSA-N -1 0 451.504 4.530 50 0 JJAARM CC[C@H](Sc1nnc(-c2cc(C)cc(C)c2NC(C)=O)c(=O)[n-]1)C(=O)Nc1cccc(C)c1C ZINC000064774552 569626693 /nfs/dbraw/zinc/62/66/93/569626693.db2.gz PIWMMAKELNDYSZ-FQEVSTJZSA-N -1 0 479.606 4.946 50 0 JJAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)[n-]c1=O ZINC000064774542 569626743 /nfs/dbraw/zinc/62/67/43/569626743.db2.gz SWBVZIYTTQLZSD-QGZVFWFLSA-N -1 0 479.606 4.864 50 0 JJAARM Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3NC(=O)C(C)C)c(=O)[n-]2)c1 ZINC000064774627 569626837 /nfs/dbraw/zinc/62/68/37/569626837.db2.gz LDBJXWNVCBINFG-MRXNPFEDSA-N -1 0 465.579 4.575 50 0 JJAARM Cc1cccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3NC(=O)C(C)C)c(=O)[n-]2)c1C ZINC000064774626 569626845 /nfs/dbraw/zinc/62/68/45/569626845.db2.gz MEXKGGBVAOKYLI-INIZCTEOSA-N -1 0 465.579 4.575 50 0 JJAARM Cc1cc(C)cc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3NC(=O)C(C)C)c(=O)[n-]2)c1 ZINC000064774634 569626847 /nfs/dbraw/zinc/62/68/47/569626847.db2.gz NWERXTLVWIKBJR-INIZCTEOSA-N -1 0 465.579 4.575 50 0 JJAARM Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2NC(=O)C(C)C)c(=O)[n-]1 ZINC000064774630 569626873 /nfs/dbraw/zinc/62/68/73/569626873.db2.gz VOLMVZGMXTZPFM-INIZCTEOSA-N -1 0 465.579 4.575 50 0 JJAARM COc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(c3cccc(C)c3)[C@@H](C)C2)cc1 ZINC000064820672 569636218 /nfs/dbraw/zinc/63/62/18/569636218.db2.gz FCEQICCFQXPZIW-IBGZPJMESA-N -1 0 459.546 4.669 50 0 JJAARM CC(C)Cc1ccc(S(=O)(=O)Nc2cnc(N(CC(C)C)CC(C)C)c(C(=O)[O-])c2)cc1 ZINC000064843363 569637902 /nfs/dbraw/zinc/63/79/02/569637902.db2.gz PZIQNUBGRYWFMW-UHFFFAOYSA-N -1 0 461.628 4.898 50 0 JJAARM COc1cc(OC)c([N-]S(=O)(=O)c2cc(-c3csc(C)n3)ccc2OC)cc1Cl ZINC000065060180 569655234 /nfs/dbraw/zinc/65/52/34/569655234.db2.gz LXLSIQDODOQVMD-UHFFFAOYSA-N -1 0 454.957 4.599 50 0 JJAARM CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)c1 ZINC000065116161 569666164 /nfs/dbraw/zinc/66/61/64/569666164.db2.gz XUSMYYKPUWTZLJ-UHFFFAOYSA-N -1 0 463.943 4.634 50 0 JJAARM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3nc(C)c(C(=O)N4CCCCC4)s3)cs2)cc1 ZINC000065117059 569667118 /nfs/dbraw/zinc/66/71/18/569667118.db2.gz BZHVODGLYZMNLA-UHFFFAOYSA-N -1 0 489.644 4.810 50 0 JJAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3c(C)cccc3C)cn2C)sc1C(=O)N1CCCCC1 ZINC000065137481 569668329 /nfs/dbraw/zinc/66/83/29/569668329.db2.gz MDCDADSQYAVNQK-UHFFFAOYSA-N -1 0 472.636 4.501 50 0 JJAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cn2C)sc1C(=O)N1CCCCC1 ZINC000065137496 569668382 /nfs/dbraw/zinc/66/83/82/569668382.db2.gz OENPQANBCUGIDO-UHFFFAOYSA-N -1 0 493.054 4.846 50 0 JJAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)cn2C)sc1C(=O)N1CCCCC1 ZINC000065137471 569668440 /nfs/dbraw/zinc/66/84/40/569668440.db2.gz UFQJIKAHHMTIEK-UHFFFAOYSA-N -1 0 479.027 4.537 50 0 JJAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2C)[n-]c1=O ZINC000035377870 569685391 /nfs/dbraw/zinc/68/53/91/569685391.db2.gz WMKGWRNFFGDZDR-UHFFFAOYSA-N -1 0 471.970 4.594 50 0 JJAARM COCC(=O)Nc1ccc(N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1C(=O)[O-] ZINC000035422747 569692854 /nfs/dbraw/zinc/69/28/54/569692854.db2.gz KXICMIRQJQZBHW-AREMUKBSSA-N -1 0 493.991 4.535 50 0 JJAARM CC(=O)Nc1ccc(N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1C(=O)[O-] ZINC000035422763 569692939 /nfs/dbraw/zinc/69/29/39/569692939.db2.gz ZAYJZSZPCPUWPZ-VWLOTQADSA-N -1 0 463.965 4.908 50 0 JJAARM Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)[N-]c1ccc(Br)c(C)c1 ZINC000035539424 569702318 /nfs/dbraw/zinc/70/23/18/569702318.db2.gz SOYZJZRKOHNYTE-UHFFFAOYSA-N -1 0 454.371 4.856 50 0 JJAARM CC(C)=CCN1C(=O)NC(=Cc2c(Cc3ccccc3C)[n-]n(-c3cccc(C)c3C)c2=O)C1=O ZINC000035829447 569712893 /nfs/dbraw/zinc/71/28/93/569712893.db2.gz GVAKRIGKOUYIMU-JLPGSUDCSA-N -1 0 470.573 4.953 50 0 JJAARM COc1ccccc1-c1[n-]n(-c2ccc(C)cc2)c(=O)c1C=C1NC(=O)N(Cc2cccc(F)c2)C1=O ZINC000035829489 569712981 /nfs/dbraw/zinc/71/29/81/569712981.db2.gz UKACTTBKRBFHFF-HAHDFKILSA-N -1 0 498.514 4.794 50 0 JJAARM O=C1NC(=Cc2c(=O)n(-c3ccc(F)cc3)[n-]c2-c2ccccc2)C(=O)N1Cc1cccc(F)c1 ZINC000035829499 569713043 /nfs/dbraw/zinc/71/30/43/569713043.db2.gz ZAAYCRAJPBHJCA-HMAPJEAMSA-N -1 0 472.451 4.616 50 0 JJAARM CCc1[n-]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C=C1NC(=O)N(Cc2cccc(C)c2)C1=O ZINC000035836805 569713526 /nfs/dbraw/zinc/71/35/26/569713526.db2.gz XBLVBHTYZVMOKX-JAIQZWGSSA-N -1 0 471.344 4.848 50 0 JJAARM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3coc5ccccc5c3=O)CC(=O)O4)c2=O)cc1 ZINC000085875221 569715663 /nfs/dbraw/zinc/71/56/63/569715663.db2.gz GCKWCFLASNUINY-QGZVFWFLSA-N -1 0 482.444 4.722 50 0 biogenic JJAARM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3ccc(OC)c(OC)c3)CC(=O)O4)c2=O)cc1 ZINC000085875580 569715923 /nfs/dbraw/zinc/71/59/23/569715923.db2.gz LZYUOQSKGUSALV-QGZVFWFLSA-N -1 0 474.465 4.632 50 0 biogenic JJAARM Cc1cccc2cc([C@@H]3CC(c4cccc(Br)c4)=NN3C(=O)CCC(=O)[O-])c(=O)[nH]c12 ZINC000089689018 569719711 /nfs/dbraw/zinc/71/97/11/569719711.db2.gz YJLGTZUUOVXYCU-IBGZPJMESA-N -1 0 482.334 4.554 50 0 JJAARM Cc1cccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3ccco3)=NN2C(=O)CCC(=O)[O-])c1 ZINC000095945225 569730823 /nfs/dbraw/zinc/73/08/23/569730823.db2.gz ZWDGLISILCNLIO-HSZRJFAPSA-N -1 0 468.513 4.983 50 0 JJAARM COC(=O)C[C@@H](c1cc(F)c(F)c(F)c1)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096114349 569733505 /nfs/dbraw/zinc/73/35/05/569733505.db2.gz JPQJZYLGXKPNFX-INIZCTEOSA-N -1 0 470.399 4.984 50 0 biogenic JJAARM COC(=O)C[C@H](c1cc(F)c(F)c(F)c1)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096114350 569733538 /nfs/dbraw/zinc/73/35/38/569733538.db2.gz JPQJZYLGXKPNFX-MRXNPFEDSA-N -1 0 470.399 4.984 50 0 biogenic JJAARM Cc1cccc2cc([C@H]3CC(=O)Oc4cc([O-])c5c(=O)cc(-c6ccccc6)oc5c43)c(=O)[nH]c12 ZINC000096115431 569734467 /nfs/dbraw/zinc/73/44/67/569734467.db2.gz CUBQHZDITWMCEI-QGZVFWFLSA-N -1 0 465.461 4.757 50 0 biogenic JJAARM O=C1C[C@@H](c2ccc(F)c(F)c2F)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096115710 569734598 /nfs/dbraw/zinc/73/45/98/569734598.db2.gz ZPIVVUOUQNSWHD-ZDUSSCGKSA-N -1 0 454.356 4.730 50 0 biogenic JJAARM COC(=O)C[C@@H](c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21)C1=Cc2ccccc2OC1 ZINC000096115794 569734616 /nfs/dbraw/zinc/73/46/16/569734616.db2.gz GTIJQTVWEWDBJP-LJQANCHMSA-N -1 0 470.477 4.994 50 0 biogenic JJAARM O=C1C[C@@H](c2cc(F)c(F)c(F)c2)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096115774 569734708 /nfs/dbraw/zinc/73/47/08/569734708.db2.gz NQWRHWZFTFXGTK-ZDUSSCGKSA-N -1 0 454.356 4.730 50 0 biogenic JJAARM COC(=O)C[C@@H](c1cc2cccc(C)c2[nH]c1=O)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096116113 569735026 /nfs/dbraw/zinc/73/50/26/569735026.db2.gz LUQLLSCJYWMIQN-SFHVURJKSA-N -1 0 497.503 4.716 50 0 biogenic JJAARM COC(=O)C[C@@H](c1ccc2nccnc2c1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096116232 569735295 /nfs/dbraw/zinc/73/52/95/569735295.db2.gz TUDJWSJQRDRQLI-KRWDZBQOSA-N -1 0 468.465 4.509 50 0 biogenic JJAARM CCCCOc1cccc(N(C(=O)c2cccc([N+](=O)[O-])c2)C(=O)c2ccccc2C(=O)[O-])c1 ZINC000096601885 569742405 /nfs/dbraw/zinc/74/24/05/569742405.db2.gz BMZRZWQHQZFQCO-UHFFFAOYSA-N -1 0 462.458 4.959 50 0 JJAARM CCOC(=O)[C@@](Nc1ccccc1Cl)(c1c(C)[n-]n(-c2ccccc2)c1=O)C(F)(F)F ZINC000097949687 569746921 /nfs/dbraw/zinc/74/69/21/569746921.db2.gz NIQAFNSCKJJPDN-XLIONFOSSA-N -1 0 453.848 4.655 50 0 JJAARM CN1C(=O)[C@]2(CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2F)c2cccc(Cl)c21 ZINC000036358117 569772149 /nfs/dbraw/zinc/77/21/49/569772149.db2.gz LCXZFRMKOCRAGT-JOCHJYFZSA-N -1 0 456.882 4.511 50 0 JJAARM O=C([O-])c1sc2c(c1-c1ccccc1F)NC(=O)C[C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000036359145 569772333 /nfs/dbraw/zinc/77/23/33/569772333.db2.gz BPKQEERDPBWMMI-NRFANRHFSA-N -1 0 487.306 4.595 50 0 JJAARM CCOc1ccc(-c2nc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C(C)C)cc5)c(=O)c3=4)c(C)o2)cc1 ZINC000101110789 569783245 /nfs/dbraw/zinc/78/32/45/569783245.db2.gz KBPIWMQJPPYNIH-XZOQPEGZSA-N -1 0 473.533 4.666 50 0 JJAARM COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2ON1c1ccccc1 ZINC000101203229 569787091 /nfs/dbraw/zinc/78/70/91/569787091.db2.gz MOLRWMHDRADDEH-VSKRKVRLSA-N -1 0 497.320 4.648 50 0 JJAARM CC(C)c1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Oc5ccccc5)cc4)c=3c2=O)cc1 ZINC000101417117 569797400 /nfs/dbraw/zinc/79/74/00/569797400.db2.gz IQQQLCBUOWZNJU-LOSJGSFVSA-N -1 0 483.528 4.534 50 0 JJAARM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccccc3OCC)C2)c(=O)[nH]c1=O ZINC000101766559 569804709 /nfs/dbraw/zinc/80/47/09/569804709.db2.gz IEFHLSSJEJNVNK-OAQYLSRUSA-N -1 0 465.575 4.799 50 0 JJAARM CCCCn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccccc3OCC)C2)c(=O)[nH]c1=O ZINC000101766553 569804723 /nfs/dbraw/zinc/80/47/23/569804723.db2.gz IEFHLSSJEJNVNK-NRFANRHFSA-N -1 0 465.575 4.799 50 0 JJAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3Cl)cnn2[C@@H](c2ccccc2Br)C1 ZINC000101836747 569806038 /nfs/dbraw/zinc/80/60/38/569806038.db2.gz HWCFXKTYFDLHAY-QGZVFWFLSA-N -1 0 473.714 4.535 50 0 JJAARM O=C(c1cc(Br)ccc1[O-])C1=CSc2nnc(-c3ccc(Cl)cc3)n2N=C1 ZINC000039932001 569812391 /nfs/dbraw/zinc/81/23/91/569812391.db2.gz WGCZROHNSGURBQ-UHFFFAOYSA-N -1 0 461.728 4.773 50 0 JJAARM Cc1ccc([C@@H]2c3c(O)n(-c4cccc(Br)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000102663051 569815322 /nfs/dbraw/zinc/81/53/22/569815322.db2.gz ZBBNWERRMZMRTL-YPAWHYETSA-N -1 0 463.331 4.809 50 0 JJAARM COc1ccc(C(=O)Nc2ncc(C)s2)cc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000040105259 569816095 /nfs/dbraw/zinc/81/60/95/569816095.db2.gz ZYIDYWBNPDYPFH-UHFFFAOYSA-N -1 0 471.482 4.532 50 0 JJAARM CCCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4C(=O)[O-])[C@@H]3C2=O)cc1 ZINC000102768371 569823473 /nfs/dbraw/zinc/82/34/73/569823473.db2.gz OPXAHFXFFJHGIH-CCDWMCETSA-N -1 0 486.524 4.615 50 0 JJAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2[C@@H](c2cccc(Br)c2)C1 ZINC000102820714 569824148 /nfs/dbraw/zinc/82/41/48/569824148.db2.gz YYQKNAUIUUGRNT-QGZVFWFLSA-N -1 0 473.714 4.535 50 0 JJAARM O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc21 ZINC000040450399 569828324 /nfs/dbraw/zinc/82/83/24/569828324.db2.gz QNUBXDICKHRDLQ-UHFFFAOYSA-N -1 0 489.313 4.568 50 0 JJAARM CC(C)c1ccc([N-]S(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)cc1 ZINC000040450469 569828583 /nfs/dbraw/zinc/82/85/83/569828583.db2.gz AICXZEITBQQYII-UHFFFAOYSA-N -1 0 463.397 4.672 50 0 JJAARM CC(=O)N1c2cc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)c(Br)cc2C[C@@H]1C ZINC000040450678 569828981 /nfs/dbraw/zinc/82/89/81/569828981.db2.gz IUVZEICXQYZCQJ-ZDUSSCGKSA-N -1 0 451.386 4.671 50 0 JJAARM O=C1N[C@H](c2ccc(-c3cccc(Cl)c3)o2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000103177906 569833642 /nfs/dbraw/zinc/83/36/42/569833642.db2.gz DYFOYFYHPYACAC-FRQCXROJSA-N -1 0 470.856 4.765 50 0 JJAARM O=C([O-])[C@H](Cc1ccc(O)c(Br)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000044320456 569838801 /nfs/dbraw/zinc/83/88/01/569838801.db2.gz KPPHAEIHICCEBD-NRFANRHFSA-N -1 0 482.330 4.689 50 0 JJAARM COc1ccc(-c2noc([C@H]([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)C(C)C)n2)cc1 ZINC000227156399 570040103 /nfs/dbraw/zinc/04/01/03/570040103.db2.gz BCLSEHIOIITPAX-QGZVFWFLSA-N -1 0 456.351 4.728 50 0 JJAARM COc1ccc(N2C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000229890395 570041826 /nfs/dbraw/zinc/04/18/26/570041826.db2.gz FRWUBWTWOBDLHQ-BHDDXSALSA-N -1 0 452.869 4.539 50 0 JJAARM O=C([O-])c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4Cl)[C@@H]3C2=O)cc1 ZINC000230043870 570043937 /nfs/dbraw/zinc/04/39/37/570043937.db2.gz KJZMNYXRTYALDE-PWRODBHTSA-N -1 0 483.307 4.743 50 0 JJAARM O=C1[C@@H]2C(=C([O-])[C@@H]1c1ccccc1)C(=C(O)c1ccc(Br)cc1)N1N=Cc3ccccc3[C@H]21 ZINC000247797951 570069607 /nfs/dbraw/zinc/06/96/07/570069607.db2.gz DKCIDPGDSNGZMM-RMRNXIRCSA-N -1 0 499.364 4.573 50 0 JJAARM CC(=O)[N-]S(=O)(=O)c1ccc(N=c2ssc3c2-c2cc(C)c(C)cc2NC3(C)C)cc1 ZINC000252670934 570092320 /nfs/dbraw/zinc/09/23/20/570092320.db2.gz MCUTVQUXLJEKAW-UHFFFAOYSA-N -1 0 473.645 4.811 50 0 JJAARM Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@@H](c1ccc(-c3ccc(C(=O)[O-])cc3)o1)CC(=O)O2 ZINC000253401770 570096669 /nfs/dbraw/zinc/09/66/69/570096669.db2.gz FVGAKIJPXCMECY-OAQYLSRUSA-N -1 0 485.492 4.504 50 0 JJAARM O=C(C[C@H](c1ccco1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21)N1CCCCC1 ZINC000253412915 570098071 /nfs/dbraw/zinc/09/80/71/570098071.db2.gz SLPZAOOLDLYCBX-GOSISDBHSA-N -1 0 459.498 4.999 50 0 JJAARM O=C(C[C@H](c1ccc2c(c1)OCO2)c1c(=O)oc2ccccc2c1[O-])NCCc1c[nH]c2ccccc12 ZINC000253470654 570099038 /nfs/dbraw/zinc/09/90/38/570099038.db2.gz VNLJZYLUSHPOJT-OAQYLSRUSA-N -1 0 496.519 4.590 50 0 JJAARM COc1ccc([C@@H](CC(=O)NCCc2c[nH]c3ccccc23)c2c([O-])c3ccccc3oc2=O)cc1O ZINC000253470790 570099152 /nfs/dbraw/zinc/09/91/52/570099152.db2.gz DRGPCEPPYZOIQG-OAQYLSRUSA-N -1 0 498.535 4.575 50 0 JJAARM COc1ccc([C@@H](CC(=O)Nc2ccc(OC(F)(F)F)cc2)c2c([O-])cc(C)oc2=O)cc1 ZINC000253471274 570099371 /nfs/dbraw/zinc/09/93/71/570099371.db2.gz OPFGQKVPCXTPJR-GOSISDBHSA-N -1 0 463.408 4.722 50 0 JJAARM CC(=O)O[C@@H]1CC[C@]2(C)[C@H](C1)C[C@@H](OC(C)=O)[C@H]1[C@@H]3CC[C@@H]([C@H](C)CCC(=O)[O-])[C@@]3(C)[C@@H](O)C[C@@H]12 ZINC000257347244 570152054 /nfs/dbraw/zinc/15/20/54/570152054.db2.gz BKPNMUHLOXZELU-QCCGDNOBSA-N -1 0 492.653 4.590 50 0 JJAARM O=C([O-])c1cc(-c2ccc3c(c2)OCCO3)nc2c(Br)cc(Br)cc12 ZINC000001004364 194001779 /nfs/dbraw/zinc/00/17/79/194001779.db2.gz RAOSRXYZRYWHDL-UHFFFAOYSA-N -1 0 465.097 4.896 50 0 JJAARM COC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)cc1 ZINC000001058557 194011792 /nfs/dbraw/zinc/01/17/92/194011792.db2.gz UKSZTSDCJJDTRN-UHFFFAOYSA-N -1 0 472.950 4.797 50 0 JJAARM COC(=O)c1cc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000001106629 194025663 /nfs/dbraw/zinc/02/56/63/194025663.db2.gz SONSKLWOVFWLFJ-UHFFFAOYSA-N -1 0 468.922 4.614 50 0 JJAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3ccccc3C)cc2)c1 ZINC000001148163 194049218 /nfs/dbraw/zinc/04/92/18/194049218.db2.gz VFTKLNKFZSUNGK-UHFFFAOYSA-N -1 0 486.615 4.685 50 0 JJAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3cc4cc(OC)ccc4nc3Cl)C2)cc1 ZINC000001300728 194082607 /nfs/dbraw/zinc/08/26/07/194082607.db2.gz SUHQMSKDNSSFEN-JOCHJYFZSA-N -1 0 481.936 4.838 50 0 JJAARM CC[C@H](NC(=O)Cc1c(C)c2cc3c(-c4ccc(Cl)cc4)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002117354 194157208 /nfs/dbraw/zinc/15/72/08/194157208.db2.gz ALNYIBJJLCTJGH-FQEVSTJZSA-N -1 0 467.905 4.998 50 0 biogenic JJAARM CCc1cccc(CC)c1NC(=O)[C@H](CC)Sc1nc2ccsc2c(=O)n1CCC(=O)[O-] ZINC000002932573 194173743 /nfs/dbraw/zinc/17/37/43/194173743.db2.gz GESZPZUULJCXIX-KRWDZBQOSA-N -1 0 473.620 4.567 50 0 JJAARM O=C([O-])c1cc(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)ccc1N1CCOCC1 ZINC000002971497 194188794 /nfs/dbraw/zinc/18/87/94/194188794.db2.gz ZCFAZVHCUXYPJO-UHFFFAOYSA-N -1 0 490.126 4.636 50 0 JJAARM CCOc1ccccc1-n1c2nc(SCC(=O)[O-])n(-c3ccc(F)cc3)c(=O)c2sc1=S ZINC000003019006 194208269 /nfs/dbraw/zinc/20/82/69/194208269.db2.gz KGIPBOYCOSSPMS-UHFFFAOYSA-N -1 0 489.575 4.682 50 0 JJAARM Cc1ccc(NC(=S)Nc2cc(C(=O)[O-])ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1C ZINC000003045717 194216640 /nfs/dbraw/zinc/21/66/40/194216640.db2.gz JNTSRKRXXHOVPC-QUCCMNQESA-N -1 0 488.613 4.596 50 0 JJAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1C ZINC000003283192 194263046 /nfs/dbraw/zinc/26/30/46/194263046.db2.gz PCIZMFIKRRGMII-UHFFFAOYSA-N -1 0 462.531 4.562 50 0 JJAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccc(-c4ccccc4)cc3)cc2)n1 ZINC000003285948 194264534 /nfs/dbraw/zinc/26/45/34/194264534.db2.gz NGHSXZAQWBKWGX-UHFFFAOYSA-N -1 0 472.570 4.742 50 0 JJAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(O)cc1)c1ccc(Br)s1 ZINC000003328420 194284284 /nfs/dbraw/zinc/28/42/84/194284284.db2.gz WFXNKTIISNBRTL-UHFFFAOYSA-N -1 0 477.365 4.704 50 0 JJAARM Cc1ccc(Sc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1C ZINC000003453893 194329678 /nfs/dbraw/zinc/32/96/78/194329678.db2.gz KVGQOWSMMKCFCJ-UHFFFAOYSA-N -1 0 479.583 4.970 50 0 JJAARM Cc1ccc(C(=O)Nc2ccc(Br)cc2)cc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000003470782 194331362 /nfs/dbraw/zinc/33/13/62/194331362.db2.gz MWOACFOZGFNQDQ-UHFFFAOYSA-N -1 0 480.771 4.859 50 0 JJAARM Cc1ccc(C)c(OCC(=O)Nc2ccc(C(=O)[O-])cc2NC(=O)COc2cc(C)ccc2C)c1 ZINC000009287818 194662956 /nfs/dbraw/zinc/66/29/56/194662956.db2.gz DXGOTMJGNRJQSY-UHFFFAOYSA-N -1 0 476.529 4.653 50 0 JJAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4F)o3)cc2)nc(C)n1 ZINC000009883727 195012151 /nfs/dbraw/zinc/01/21/51/195012151.db2.gz GUFWHFGFDCYRNM-UHFFFAOYSA-N -1 0 466.494 4.546 50 0 JJAARM CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)C(=O)[C@@H]12 ZINC000009968544 195041341 /nfs/dbraw/zinc/04/13/41/195041341.db2.gz LLMWJBZTHJLJTR-KWMZMRFFSA-N -1 0 457.913 4.999 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2nc3ccccc3s2)ccc1C ZINC000012604564 195049473 /nfs/dbraw/zinc/04/94/73/195049473.db2.gz NZMGZPQGEPKZFN-UHFFFAOYSA-N -1 0 481.599 4.686 50 0 JJAARM C[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@@H](C)C1 ZINC000012649121 195075210 /nfs/dbraw/zinc/07/52/10/195075210.db2.gz LWJAPNNQCBUQII-HUUCEWRRSA-N -1 0 499.416 4.598 50 0 JJAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)sc2c1 ZINC000012629093 195061464 /nfs/dbraw/zinc/06/14/64/195061464.db2.gz JSLXPRXKNWTVJI-DLBZAZTESA-N -1 0 487.578 4.996 50 0 JJAARM CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000012631273 195063482 /nfs/dbraw/zinc/06/34/82/195063482.db2.gz DFUVMJKAOFEOHQ-UHFFFAOYSA-N -1 0 495.450 4.612 50 0 JJAARM Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(c3ccccc3C(=O)[O-])C(=O)N21 ZINC000012881647 195168908 /nfs/dbraw/zinc/16/89/08/195168908.db2.gz OZJDDXDYPQXHOY-LADGPHEKSA-N -1 0 451.482 4.657 50 0 biogenic JJAARM COc1ccc(NC(=O)c2cc3ccc(OC)cc3o/c2=N\c2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000020616707 195188496 /nfs/dbraw/zinc/18/84/96/195188496.db2.gz OHJVMWAJRQMUAR-RFBIWTDZSA-N -1 0 474.469 4.642 50 0 JJAARM CCOC(=O)Nc1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3OC)c2)c1 ZINC000020900824 195241440 /nfs/dbraw/zinc/24/14/40/195241440.db2.gz CSLHTKVSQUNGGE-UHFFFAOYSA-N -1 0 483.546 4.625 50 0 JJAARM CCOc1cc2c(cc1OCC)[C@@H](CC(=O)[O-])N(C(=O)Nc1ccc(Br)cc1F)CC2 ZINC000021044374 195271305 /nfs/dbraw/zinc/27/13/05/195271305.db2.gz NDWPXWQEABXONM-GOSISDBHSA-N -1 0 495.345 4.992 50 0 JJAARM COc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(Cl)cc2)cc(OC)c1O ZINC000061718134 195416506 /nfs/dbraw/zinc/41/65/06/195416506.db2.gz DYSQIXGIFSYLFH-CYBMUJFWSA-N -1 0 459.907 4.964 50 0 JJAARM CC(C)(C)OC(=O)N([C@@H](CC(N)=O)C(=O)[O-])C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000071787951 518797077 /nfs/dbraw/zinc/79/70/77/518797077.db2.gz SXFFRSIXKWRMBS-QHCPKHFHSA-N -1 0 474.557 4.544 50 0 JJAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(Cc3ccccc3)cc2Br)C[C@H]1C(=O)[O-] ZINC000042783068 518816984 /nfs/dbraw/zinc/81/69/84/518816984.db2.gz CDZATIFQQOEFHL-HKUYNNGSSA-N -1 0 476.367 4.881 50 0 JJAARM CC(=O)N1c2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)c(Br)cc2C[C@H]1C ZINC000040450587 519639088 /nfs/dbraw/zinc/63/90/88/519639088.db2.gz ZFWBEXUULYADCB-LLVKDONJSA-N -1 0 457.777 4.509 50 0 JJAARM CC(=O)Nc1ccc(N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c(C(=O)[O-])c1 ZINC000033078509 519721288 /nfs/dbraw/zinc/72/12/88/519721288.db2.gz WGPUPRRLKRFDQF-VWLOTQADSA-N -1 0 463.965 4.908 50 0 JJAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4cccc(F)c4)no3)sc2C)cc1 ZINC000046141535 519726750 /nfs/dbraw/zinc/72/67/50/519726750.db2.gz LXCVZFHGJDYYMI-UHFFFAOYSA-N -1 0 472.523 4.672 50 0 JJAARM CCCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(Br)s3)ccc2s1 ZINC000033116472 519880317 /nfs/dbraw/zinc/88/03/17/519880317.db2.gz HMKYPZPZDADYGW-UHFFFAOYSA-N -1 0 460.400 4.660 50 0 JJAARM CCN(CC)C(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4cc(F)ccc4F)ccc3n2C)cc1 ZINC000033277029 520547762 /nfs/dbraw/zinc/54/77/62/520547762.db2.gz KVMKFFMNFZBSBN-UHFFFAOYSA-N -1 0 498.555 4.801 50 0 JJAARM CCOC(=O)C1CCN([C@H](c2sc3nc(CC)nn3c2[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC000022853550 520582674 /nfs/dbraw/zinc/58/26/74/520582674.db2.gz FDWGXFGBWZQYON-KRWDZBQOSA-N -1 0 483.421 4.730 50 0 JJAARM CCC[C@@H](NC(=O)Cc1c(C)c2cc3c(-c4ccc(F)cc4)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002158428 520734819 /nfs/dbraw/zinc/73/48/19/520734819.db2.gz OXYZPYXMYIGXDZ-OAQYLSRUSA-N -1 0 465.477 4.874 50 0 biogenic JJAARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1cc(Cl)c(OC)cc1OC ZINC000065060234 520812893 /nfs/dbraw/zinc/81/28/93/520812893.db2.gz BKJKGAVEOZGWIR-UHFFFAOYSA-N -1 0 468.984 4.989 50 0 JJAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCc4sccc4C3)ccc2Cl)cc1 ZINC000012216215 521130119 /nfs/dbraw/zinc/13/01/19/521130119.db2.gz QAMPWRVMLSDBLM-UHFFFAOYSA-N -1 0 477.007 4.800 50 0 JJAARM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)s1 ZINC000033306484 521193708 /nfs/dbraw/zinc/19/37/08/521193708.db2.gz KSVRLEPXOFNFOX-VMPITWQZSA-N -1 0 453.492 4.642 50 0 JJAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2Cl)[n-]c1=O ZINC000021882713 521203255 /nfs/dbraw/zinc/20/32/55/521203255.db2.gz YDUGFARZRQWRRT-CYBMUJFWSA-N -1 0 471.970 4.674 50 0 JJAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)[n-]c1=O ZINC000021882723 521203723 /nfs/dbraw/zinc/20/37/23/521203723.db2.gz LBBSLBUTEIHZHA-QGZVFWFLSA-N -1 0 479.606 4.946 50 0 JJAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)[n-]c1=O ZINC000021882737 521204595 /nfs/dbraw/zinc/20/45/95/521204595.db2.gz NACHACMQBXCIMX-CYBMUJFWSA-N -1 0 471.970 4.674 50 0 JJAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@@H](CC)C(=O)Nc2cc(F)ccc2F)[n-]c1=O ZINC000021882731 521204840 /nfs/dbraw/zinc/20/48/40/521204840.db2.gz VZDSITKQWGWVKW-SFHVURJKSA-N -1 0 487.532 4.689 50 0 JJAARM CCC(=O)Nc1ccc2nc(N3CCN(c4cc(Cl)ccc4C)CC3)cc(C(=O)[O-])c2c1 ZINC000033260734 521219927 /nfs/dbraw/zinc/21/99/27/521219927.db2.gz KMJJUAGAPTUFMF-UHFFFAOYSA-N -1 0 452.942 4.570 50 0 JJAARM CCOc1ccc2nc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(F)cc3)sc2c1 ZINC000006146310 521305545 /nfs/dbraw/zinc/30/55/45/521305545.db2.gz ALFPXWLHLREMGI-UHFFFAOYSA-N -1 0 471.535 4.887 50 0 JJAARM CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000006146136 521391101 /nfs/dbraw/zinc/39/11/01/521391101.db2.gz KPYTVATWJGJJPB-UHFFFAOYSA-N -1 0 488.587 4.603 50 0 JJAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2c3oc(C(=O)N4CCCCC4)c(C)c3cc(C)c2C)c1 ZINC000065010605 521546243 /nfs/dbraw/zinc/54/62/43/521546243.db2.gz KCQHKPAOABJHNT-UHFFFAOYSA-N -1 0 498.601 4.962 50 0 JJAARM CCCn1nc(C)cc1CN(C)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1C(=O)[O-] ZINC000033253800 521669610 /nfs/dbraw/zinc/66/96/10/521669610.db2.gz QRKGKEOOPYTKRN-UHFFFAOYSA-N -1 0 484.622 4.662 50 0 JJAARM COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000033424442 521955264 /nfs/dbraw/zinc/95/52/64/521955264.db2.gz DTYDFOTZMMCTNQ-LZYBPNLTSA-N -1 0 468.314 4.702 50 0 JJAARM CN(C)c1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000006146363 522236836 /nfs/dbraw/zinc/23/68/36/522236836.db2.gz YDHJRCPATXROCS-UHFFFAOYSA-N -1 0 474.380 4.568 50 0 JJAARM CCc1nc2sc([C@@H](c3ccc(CC)cc3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022854722 522534217 /nfs/dbraw/zinc/53/42/17/522534217.db2.gz HZMYEQNBJYTCEW-HSZRJFAPSA-N -1 0 461.635 4.528 50 0 JJAARM COc1cc(OC)c(CN(CC(=O)[O-])C(=O)OCC2c3ccccc3-c3ccccc32)c(OC)c1 ZINC000043465286 522793262 /nfs/dbraw/zinc/79/32/62/522793262.db2.gz QRIVZMBKOCDKBU-UHFFFAOYSA-N -1 0 477.513 4.548 50 0 JJAARM COc1ccc(-c2cnn3c2nc(C)cc3C)cc1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC000033171437 523156057 /nfs/dbraw/zinc/15/60/57/523156057.db2.gz ZAKDCKNZGOIOPR-UHFFFAOYSA-N -1 0 487.379 4.585 50 0 JJAARM COc1ccc(/C=C2/SC(=O)N(CCCC(=O)Nc3cc(Cl)ccc3C(=O)[O-])C2=O)cc1 ZINC000033597911 523414575 /nfs/dbraw/zinc/41/45/75/523414575.db2.gz FPZVCNWXHQYYEU-WOJGMQOQSA-N -1 0 474.922 4.502 50 0 JJAARM COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C ZINC000033170666 523438985 /nfs/dbraw/zinc/43/89/85/523438985.db2.gz QPZICVWWFUAMIC-NTMALXAHSA-N -1 0 469.563 4.846 50 0 JJAARM CN1C(=O)[C@@]2(CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2Cl)c2cc(F)ccc21 ZINC000036357175 523724083 /nfs/dbraw/zinc/72/40/83/523724083.db2.gz QIGNVLBJNRIDDQ-QFIPXVFZSA-N -1 0 456.882 4.511 50 0 JJAARM COc1ccc(C(=O)Nc2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(C(=O)[O-])c2)cc1 ZINC000033078726 523751132 /nfs/dbraw/zinc/75/11/32/523751132.db2.gz RPJPJOSHFVUKHD-UHFFFAOYSA-N -1 0 499.489 4.991 50 0 JJAARM COc1ccc(C(=O)Nc2ccc(N3CCN(c4cc(C)ccc4C)CC3)c(C(=O)[O-])c2)cc1 ZINC000033078574 523751236 /nfs/dbraw/zinc/75/12/36/523751236.db2.gz WCRNOQLLDFWXBM-UHFFFAOYSA-N -1 0 459.546 4.589 50 0 JJAARM CCc1cc(Sc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)n2nc(C)nc2n1 ZINC000033122370 523842534 /nfs/dbraw/zinc/84/25/34/523842534.db2.gz IZVCPMAEYPLHBG-UHFFFAOYSA-N -1 0 466.013 4.662 50 0 JJAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(/C=C\c2onc(C)c2NC(C)=O)ccc1C ZINC000033170603 523844720 /nfs/dbraw/zinc/84/47/20/523844720.db2.gz OTZAMLLZJLZMSS-LUAWRHEFSA-N -1 0 455.536 4.538 50 0 JJAARM COc1ccccc1C(=O)Nc1ccc2nc(N3CCN(c4ccccc4)CC3)cc(C(=O)[O-])c2c1 ZINC000033260850 524357989 /nfs/dbraw/zinc/35/79/89/524357989.db2.gz CLNTZNIFONUOEZ-UHFFFAOYSA-N -1 0 482.540 4.521 50 0 JJAARM COc1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000035479420 524386921 /nfs/dbraw/zinc/38/69/21/524386921.db2.gz SUQUDRQWZKUQDY-FQEVSTJZSA-N -1 0 455.919 4.680 50 0 JJAARM COc1ccccc1CN1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4ccccc4)ccc3n2)CC1 ZINC000033260822 524452615 /nfs/dbraw/zinc/45/26/15/524452615.db2.gz SAFQPWGRKNWBMW-UHFFFAOYSA-N -1 0 496.567 4.516 50 0 JJAARM COc1ccc(NC(=O)c2cc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])ccc2N2CCCCC2)cc1 ZINC000016400784 524626693 /nfs/dbraw/zinc/62/66/93/524626693.db2.gz KFZXBHIMNITMST-FCHUYYIVSA-N -1 0 479.577 4.767 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)COc2cc(C)ccc2C)ccc1Cl ZINC000015913332 524640464 /nfs/dbraw/zinc/64/04/64/524640464.db2.gz NPBSQCABBCBYDI-UHFFFAOYSA-N -1 0 474.966 4.784 50 0 JJAARM COc1ccc(NC(=O)c2ccsc2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000022625770 524648008 /nfs/dbraw/zinc/64/80/08/524648008.db2.gz XRNFPVKBDKQKIH-UHFFFAOYSA-N -1 0 467.366 4.572 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2c3oc(C(=O)N4CCCCC4)c(C)c3cc(C)c2C)c(OC)c1 ZINC000065010568 524683610 /nfs/dbraw/zinc/68/36/10/524683610.db2.gz YNBHRZUCLHLAGB-UHFFFAOYSA-N -1 0 486.590 4.802 50 0 JJAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCC4CCCCC4)CCC3)cc2)c1 ZINC000033277534 524879179 /nfs/dbraw/zinc/87/91/79/524879179.db2.gz QHHZLENOMQWUJM-UHFFFAOYSA-N -1 0 486.634 4.623 50 0 JJAARM Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000006088824 524905411 /nfs/dbraw/zinc/90/54/11/524905411.db2.gz WLUCEAVUHRNXER-UHFFFAOYSA-N -1 0 465.984 4.703 50 0 JJAARM Cc1ccc(NC(=O)CSc2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])cc2)cc1Cl ZINC000022566277 525076666 /nfs/dbraw/zinc/07/66/66/525076666.db2.gz MXWKUGHJAFINGA-RBUKOAKNSA-N -1 0 458.967 4.985 50 0 JJAARM Cc1ccc(NC(=O)c2ccccc2)c(-c2nnc(SCC(=O)Nc3ccccc3C)[n-]c2=O)c1 ZINC000021882766 525246164 /nfs/dbraw/zinc/24/61/64/525246164.db2.gz FABPVZALGZBVJQ-UHFFFAOYSA-N -1 0 485.569 4.844 50 0 JJAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)Nc3cccc(C(F)(F)F)c3)cc2)no1 ZINC000020356907 525286386 /nfs/dbraw/zinc/28/63/86/525286386.db2.gz XFKWALASJAIACM-UHFFFAOYSA-N -1 0 456.471 4.612 50 0 JJAARM Cc1cc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc(C)c1Cl ZINC000006142715 525368943 /nfs/dbraw/zinc/36/89/43/525368943.db2.gz KNNSBRTWCRULLB-UHFFFAOYSA-N -1 0 473.982 4.950 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]n2c(-c3ccccc3)nnc2-c2cccc(Br)c2)cc1 ZINC000012461875 525619995 /nfs/dbraw/zinc/61/99/95/525619995.db2.gz WCNKYSWFOBYNMW-UHFFFAOYSA-N -1 0 469.364 4.615 50 0 JJAARM Cc1ccc(S(=O)(=O)c2[n-]c(-c3ccccc3)nc2SCC(=O)NC2CCCCC2)cc1 ZINC000012252563 525634724 /nfs/dbraw/zinc/63/47/24/525634724.db2.gz AQKGSEQBTVEIKF-UHFFFAOYSA-N -1 0 469.632 4.759 50 0 JJAARM Cc1ccc(Sc2cc3c(cc2[N-]S(=O)(=O)c2ccc(Cl)cc2)n(C)c(=O)n3C)cc1 ZINC000045941110 525670534 /nfs/dbraw/zinc/67/05/34/525670534.db2.gz LMJNVSCRVXKIJC-UHFFFAOYSA-N -1 0 474.007 4.791 50 0 JJAARM Cc1ccc(Sc2cc3c(cc2[N-]S(=O)(=O)c2cccc(Cl)c2)n(C)c(=O)n3C)cc1 ZINC000045941126 525671219 /nfs/dbraw/zinc/67/12/19/525671219.db2.gz VJYHROXWFZMZJN-UHFFFAOYSA-N -1 0 474.007 4.791 50 0 JJAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-])oc1c3CCCC1 ZINC000002100736 525963704 /nfs/dbraw/zinc/96/37/04/525963704.db2.gz IOKGKEXRFCFVJL-NRFANRHFSA-N -1 0 493.943 4.734 50 0 biogenic JJAARM Cc1cc(=O)oc2c3c(ccc12)OC(=O)/C3=C/c1cc(Br)cc(Br)c1[O-] ZINC000033335919 526145591 /nfs/dbraw/zinc/14/55/91/526145591.db2.gz VQLCEOCONHFICM-WUXMJOGZSA-N -1 0 478.092 4.792 50 0 JJAARM Cc1ccc(C(=O)Nc2ccc3nc(N4CCN(Cc5ccccc5F)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000033260602 526223910 /nfs/dbraw/zinc/22/39/10/526223910.db2.gz MUDMZDSQIKWVDD-UHFFFAOYSA-N -1 0 498.558 4.955 50 0 JJAARM Cc1ccc(C(=O)Nc2nc3cc([N-]S(=O)(=O)c4ccc(F)cc4F)ccc3s2)cc1 ZINC000033116506 526230667 /nfs/dbraw/zinc/23/06/67/526230667.db2.gz XDKDBHZNOKFUFH-UHFFFAOYSA-N -1 0 459.499 4.936 50 0 JJAARM Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)cn2CC(=O)N2CCCCC2)n1 ZINC000033307627 526300172 /nfs/dbraw/zinc/30/01/72/526300172.db2.gz XGLQJLOEHZFRRZ-UHFFFAOYSA-N -1 0 493.054 4.695 50 0 JJAARM O=C([O-])c1cc(NC(=O)c2ccc(Br)cc2)ccc1N1CCN(c2ccccc2F)CC1 ZINC000033078664 526350326 /nfs/dbraw/zinc/35/03/26/526350326.db2.gz XPLJWJLCWJDNLL-UHFFFAOYSA-N -1 0 498.352 4.865 50 0 JJAARM O=C([O-])c1ccc(-n2c(=O)c3ccccc3nc2/C=C\c2cc(Br)ccc2O)cc1 ZINC000033148347 526359602 /nfs/dbraw/zinc/35/96/02/526359602.db2.gz TUJPYNUVRDGQQM-GHXNOFRVSA-N -1 0 463.287 4.722 50 0 JJAARM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(Cl)cc3)c2)cc1 ZINC000003085203 526379505 /nfs/dbraw/zinc/37/95/05/526379505.db2.gz CYJQCNOWDSYMOT-UHFFFAOYSA-N -1 0 465.314 4.745 50 0 JJAARM O=C(NCc1ccccc1Cl)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000006147078 526748589 /nfs/dbraw/zinc/74/85/89/526748589.db2.gz KXEZAZFZTAOSFG-UHFFFAOYSA-N -1 0 479.783 4.833 50 0 JJAARM Cc1sc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c1-c1cc(C(F)(F)F)on1 ZINC000033299379 526875584 /nfs/dbraw/zinc/87/55/84/526875584.db2.gz DMTGNYUYYIXMDM-UHFFFAOYSA-N -1 0 460.455 4.611 50 0 JJAARM O=C(c1cnn(C(=S)NC2CCCCC2)c1)c1cc(Cl)cc(CSc2ncccn2)c1[O-] ZINC000015912080 526889236 /nfs/dbraw/zinc/88/92/36/526889236.db2.gz HHYSOMMCCJLKAJ-UHFFFAOYSA-N -1 0 488.038 4.611 50 0 JJAARM O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000006147117 526955757 /nfs/dbraw/zinc/95/57/57/526955757.db2.gz GGJANEQCSWAHCF-UHFFFAOYSA-N -1 0 457.360 4.873 50 0 JJAARM O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1)c1ccc(CO)cc1 ZINC000016051126 527177136 /nfs/dbraw/zinc/17/71/36/527177136.db2.gz ZFIKOIGTBADOCA-UHFFFAOYSA-N -1 0 495.782 4.648 50 0 JJAARM Cc1nc2sc([C@@H](c3cccc(Br)c3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000022627409 527205118 /nfs/dbraw/zinc/20/51/18/527205118.db2.gz DWQIXYIRDACZCJ-GOSISDBHSA-N -1 0 455.381 4.715 50 0 JJAARM O=C(NC1CCCCC1)C1(c2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2)CC1 ZINC000033115552 527512502 /nfs/dbraw/zinc/51/25/02/527512502.db2.gz APSNFHQTTZVOMS-UHFFFAOYSA-N -1 0 483.453 4.792 50 0 JJAARM Cc1nn(C)c(C)c1CCCN(C)c1ccc(NC(=O)c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000046053569 527620994 /nfs/dbraw/zinc/62/09/94/527620994.db2.gz HYQMIXQETBPPES-UHFFFAOYSA-N -1 0 454.958 4.710 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1 ZINC000000751873 553777129 /nfs/dbraw/zinc/77/71/29/553777129.db2.gz HHCFIDWPCVYZPS-UHFFFAOYSA-N -1 0 469.588 4.660 50 0 JJAARM O=C(Nc1ccc(Br)cc1)c1cc(S(=O)(=O)[N-]c2ccccn2)ccc1Cl ZINC000000754812 553777486 /nfs/dbraw/zinc/77/74/86/553777486.db2.gz KXXPAYWYCSAJJE-UHFFFAOYSA-N -1 0 466.744 4.551 50 0 JJAARM O=C([O-])COc1ccc2c(=O)c(Oc3ccccc3Br)c(C(F)(F)F)oc2c1 ZINC000000934310 553873009 /nfs/dbraw/zinc/87/30/09/553873009.db2.gz GQRIFRDBWRMTEF-UHFFFAOYSA-N -1 0 459.170 4.830 50 0 JJAARM C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000000935607 553873318 /nfs/dbraw/zinc/87/33/18/553873318.db2.gz NVGPJDJNKPTLHN-LJQANCHMSA-N -1 0 473.554 4.955 50 0 JJAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(Oc4ccccc4)c3)cc2)n1 ZINC000000945482 553878857 /nfs/dbraw/zinc/87/88/57/553878857.db2.gz PKPVLPDTBOERID-UHFFFAOYSA-N -1 0 460.515 4.630 50 0 JJAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccccc1Oc1ccccc1 ZINC000000947652 553879681 /nfs/dbraw/zinc/87/96/81/553879681.db2.gz IFJJJORZZKLWOD-UHFFFAOYSA-N -1 0 451.529 4.989 50 0 JJAARM Cc1oc2c(cc3c(C)c(CC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)[O-])c(=O)oc3c2C)c1C ZINC000002100539 554042409 /nfs/dbraw/zinc/04/24/09/554042409.db2.gz IUIQGPBESYXUCM-QHCPKHFHSA-N -1 0 486.524 4.609 50 0 biogenic JJAARM Cc1oc2c(cc3c(C)c(CCC(=O)N[C@@H](Cc4ccccc4)C(=O)[O-])c(=O)oc3c2C)c1C ZINC000002102314 554043307 /nfs/dbraw/zinc/04/33/07/554043307.db2.gz BKZSDKVBSVQZRD-QFIPXVFZSA-N -1 0 461.514 4.518 50 0 biogenic JJAARM CCCC[C@H](NC(=O)[C@@H](C)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C)C(=O)[O-] ZINC000002154374 554071696 /nfs/dbraw/zinc/07/16/96/554071696.db2.gz RMLGZHNAIPHNKF-GCJKJVERSA-N -1 0 465.546 4.528 50 0 biogenic JJAARM CCCC[C@H](NC(=O)[C@H](C)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C)C(=O)[O-] ZINC000002154378 554071726 /nfs/dbraw/zinc/07/17/26/554071726.db2.gz RMLGZHNAIPHNKF-AVRDEDQJSA-N -1 0 465.546 4.528 50 0 biogenic JJAARM Cc1c2oc3c(c2cc2c(C)c(CC(=O)N[C@H](C(=O)[O-])c4ccccc4)c(=O)oc12)CCCC3 ZINC000002156680 554072847 /nfs/dbraw/zinc/07/28/47/554072847.db2.gz NXVLRWFMIUGDMQ-QHCPKHFHSA-N -1 0 459.498 4.519 50 0 biogenic JJAARM Cc1ccc(-c2coc3cc4oc(=O)c(CC(=O)N5CCC(C(=O)[O-])CC5)c(C)c4cc32)cc1 ZINC000002160872 554074296 /nfs/dbraw/zinc/07/42/96/554074296.db2.gz XEXUPWPOONAPFZ-UHFFFAOYSA-N -1 0 459.498 4.689 50 0 biogenic JJAARM CCOc1ccc(N2C(=O)C(=Cc3ccccc3OCc3ccc(C(=O)[O-])cc3)NC2=S)cc1 ZINC000002168153 554075871 /nfs/dbraw/zinc/07/58/71/554075871.db2.gz FHXGQLKYGFXACI-JCMHNJIXSA-N -1 0 474.538 4.625 50 0 JJAARM COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2C)cc1OC ZINC000002418425 554196821 /nfs/dbraw/zinc/19/68/21/554196821.db2.gz VQFOPBSKYMUDCV-UHFFFAOYSA-N -1 0 464.547 4.808 50 0 JJAARM CCCCOCCCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000002643969 554262097 /nfs/dbraw/zinc/26/20/97/554262097.db2.gz HOFWNGKRDDAEOR-UHFFFAOYSA-N -1 0 465.424 4.792 50 0 JJAARM Cc1c2cc(C)c(C)cc2oc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1 ZINC000002704491 554294914 /nfs/dbraw/zinc/29/49/14/554294914.db2.gz MMDNOBZRBXUGLK-UHFFFAOYSA-N -1 0 464.547 4.818 50 0 JJAARM O=C([O-])[C@@H](Cc1ccc(Br)cc1)SCC(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000002709927 554297029 /nfs/dbraw/zinc/29/70/29/554297029.db2.gz BUPQLCOJNKKCPT-GOSISDBHSA-N -1 0 491.432 4.864 50 0 JJAARM Cc1nn([C@H](C)c2nnc([N-]c3ccn(Cc4ccccc4)n3)s2)c(C)c1Br ZINC000002731105 554315159 /nfs/dbraw/zinc/31/51/59/554315159.db2.gz HYHIEBKLCHUWFB-CQSZACIVSA-N -1 0 458.389 4.712 50 0 JJAARM Cc1nn(CCc2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)cc1Br ZINC000002731050 554315235 /nfs/dbraw/zinc/31/52/35/554315235.db2.gz ARZNTZRBBCDZDL-UHFFFAOYSA-N -1 0 496.797 4.829 50 0 JJAARM Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)c3ccccc3n2)o1 ZINC000002753312 554327186 /nfs/dbraw/zinc/32/71/86/554327186.db2.gz XKUVMVUMFQODRE-UHFFFAOYSA-N -1 0 485.525 4.646 50 0 JJAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3Cl)cc2)n1 ZINC000002755981 554328424 /nfs/dbraw/zinc/32/84/24/554328424.db2.gz ZQTFUMYAIJYPKZ-UHFFFAOYSA-N -1 0 495.388 4.690 50 0 JJAARM Cc1cc(C)n(Cc2ccc(C(=O)[N-]n3c(C)nc4sc5c(c4c3=O)CC[C@@H](C(C)(C)C)C5)o2)n1 ZINC000002778334 554340830 /nfs/dbraw/zinc/34/08/30/554340830.db2.gz ORVNFXCTTWHNHA-QGZVFWFLSA-N -1 0 493.633 4.756 50 0 JJAARM O=C([O-])COc1ccc(Br)cc1/C=C1\SC(=O)N(c2ccccc2Cl)C1=O ZINC000002814607 554362175 /nfs/dbraw/zinc/36/21/75/554362175.db2.gz SBOKMGAMZHJEBC-NVNXTCNLSA-N -1 0 468.712 4.807 50 0 JJAARM O=S(=O)([N-]c1ncccn1)c1ccc(NC(=S)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000002853691 554381643 /nfs/dbraw/zinc/38/16/43/554381643.db2.gz OLHCLCBAHCITQB-UHFFFAOYSA-N -1 0 491.598 4.665 50 0 JJAARM COc1ccc(CNC(=O)CCCCCn2c(=O)c3cc(Br)ccc3[n-]c2=S)cc1 ZINC000002973895 554415002 /nfs/dbraw/zinc/41/50/02/554415002.db2.gz VRBWQBPDDDGUMH-UHFFFAOYSA-N -1 0 490.423 4.707 50 0 JJAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)cc2)c1C ZINC000003182399 554428631 /nfs/dbraw/zinc/42/86/31/554428631.db2.gz ORNIKNPRBCFQPR-UHFFFAOYSA-N -1 0 475.526 4.576 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(=S)n(CN3C[C@@H](C)C[C@H](C)C3)c2c1 ZINC000006182428 554515944 /nfs/dbraw/zinc/51/59/44/554515944.db2.gz CKGBVGARWOIDGL-HOTGVXAUSA-N -1 0 461.609 4.709 50 0 JJAARM CCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000008455779 554599887 /nfs/dbraw/zinc/59/98/87/554599887.db2.gz HYPKAIDGEUIXKD-OHQAAIJDSA-N -1 0 457.548 4.676 50 0 JJAARM O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cc(Br)ccc2OCc2ccccn2)[NH2+]1 ZINC000008740409 554642605 /nfs/dbraw/zinc/64/26/05/554642605.db2.gz CGBMNTFDANGFBQ-NFBKMPQASA-N -1 0 478.346 4.593 50 0 biogenic JJAARM COC(=O)c1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000008741092 554643475 /nfs/dbraw/zinc/64/34/75/554643475.db2.gz GABCUXPVADLTPD-UHFFFAOYSA-N -1 0 468.922 4.614 50 0 JJAARM CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2c3occ(-c4ccccc4)c3c(C)cc2oc1=O)C(=O)[O-] ZINC000008877281 554772462 /nfs/dbraw/zinc/77/24/62/554772462.db2.gz WSQTYDIXSFAFML-SHACYNPGSA-N -1 0 461.514 4.981 50 0 biogenic JJAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2nc3c(cc(F)cc3F)s2)cc1 ZINC000008956188 554837009 /nfs/dbraw/zinc/83/70/09/554837009.db2.gz BZSQFUPOKPMBRY-UHFFFAOYSA-N -1 0 459.499 4.936 50 0 JJAARM COc1ccc(C)c2sc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(C)cc3)nc21 ZINC000008956105 554837044 /nfs/dbraw/zinc/83/70/44/554837044.db2.gz GUDUBQLUNXFWHY-UHFFFAOYSA-N -1 0 467.572 4.975 50 0 JJAARM CCCOc1ccc(CC2C(=O)N=C(SCc3cc(C(C)=O)ccc3OC)N=C2[O-])cc1C ZINC000009058557 554877414 /nfs/dbraw/zinc/87/74/14/554877414.db2.gz PEWOWNUZNVNBNP-UHFFFAOYSA-N -1 0 468.575 4.667 50 0 JJAARM CC(C)(C)C(=O)[C@@H]1C(=C([O-])c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000009076532 554887813 /nfs/dbraw/zinc/88/78/13/554887813.db2.gz DUVPNUZDFBABIG-CAFXQFFASA-N -1 0 466.537 4.868 50 0 JJAARM CCOC(=O)c1cnc([N-]c2nc3ccccc3o2)nc1CSC(=S)N1CCCCC1 ZINC000009111187 554898591 /nfs/dbraw/zinc/89/85/91/554898591.db2.gz KIPVPYZOKIOHKZ-UHFFFAOYSA-N -1 0 457.581 4.542 50 0 JJAARM COc1cc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])c(Br)cc1OCc1ccccc1 ZINC000009191509 554963957 /nfs/dbraw/zinc/96/39/57/554963957.db2.gz WXFBSDFKWIQBKU-NVMNQCDNSA-N -1 0 476.352 4.681 50 0 JJAARM O=C([O-])c1ccc(NC(=O)COc2ccc(Cl)cc2)c(NC(=O)COc2ccc(Cl)cc2)c1 ZINC000009287812 555061208 /nfs/dbraw/zinc/06/12/08/555061208.db2.gz XPDJOZLREKVJRB-UHFFFAOYSA-N -1 0 489.311 4.727 50 0 JJAARM O=C([O-])CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000009328447 555099036 /nfs/dbraw/zinc/09/90/36/555099036.db2.gz JJKFHLPFENGGKW-JOCHJYFZSA-N -1 0 454.486 4.675 50 0 JJAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(NC(=O)c2cccs2)cc1 ZINC000009339502 555108180 /nfs/dbraw/zinc/10/81/80/555108180.db2.gz HKGPQLPKZMKJEP-UHFFFAOYSA-N -1 0 481.393 4.962 50 0 JJAARM O=C([O-])CCCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(c1ccc(Cl)cc1)=N2 ZINC000009345358 555111323 /nfs/dbraw/zinc/11/13/23/555111323.db2.gz WCXIQUUNPACJJS-GOSISDBHSA-N -1 0 472.332 4.834 50 0 JJAARM CN1C[C@]2(Cc3c4ccccc4ccc31)C(=O)[N-]C(=O)N(c1ccc(Br)cc1)C2=O ZINC000009430906 555199431 /nfs/dbraw/zinc/19/94/31/555199431.db2.gz KLCFPVBXUQOYQC-HSZRJFAPSA-N -1 0 464.319 4.704 50 0 JJAARM COc1ccc(NC(=O)C2CCC(Cn3c(=O)c4ccccc4[n-]c3=S)CC2)cc1OC ZINC000009434295 555205347 /nfs/dbraw/zinc/20/53/47/555205347.db2.gz CDXPYTCUFGJIPR-UHFFFAOYSA-N -1 0 453.564 4.521 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)Cc2c(Cl)cccc2Cl)c1 ZINC000009467939 555246227 /nfs/dbraw/zinc/24/62/27/555246227.db2.gz NVNAGTREENCNHK-UHFFFAOYSA-N -1 0 481.357 4.690 50 0 JJAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(-c2ccc(N3CCCCCC3)nn2)c1 ZINC000009529541 555323709 /nfs/dbraw/zinc/32/37/09/555323709.db2.gz ZUTMNGFRFULMMS-UHFFFAOYSA-N -1 0 472.998 4.987 50 0 JJAARM COc1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000009539463 555330834 /nfs/dbraw/zinc/33/08/34/555330834.db2.gz WUSGPNMISFHFMF-UHFFFAOYSA-N -1 0 474.966 4.784 50 0 JJAARM COc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000009546176 555340413 /nfs/dbraw/zinc/34/04/13/555340413.db2.gz AAPMTVSKBZTIIK-UHFFFAOYSA-N -1 0 495.340 4.784 50 0 JJAARM CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3ccc(N4CCC(C)CC4)cc3)c2)on1 ZINC000009638057 555346155 /nfs/dbraw/zinc/34/61/55/555346155.db2.gz VSAHHFPBHZICID-UHFFFAOYSA-N -1 0 499.589 4.564 50 0 JJAARM COc1ccc(NC(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccccc4)sc3c2)cc1 ZINC000013349276 555379269 /nfs/dbraw/zinc/37/92/69/555379269.db2.gz GVXGGCAWPVMPNO-UHFFFAOYSA-N -1 0 454.533 4.750 50 0 JJAARM COc1ccccc1NC(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000013349337 555379616 /nfs/dbraw/zinc/37/96/16/555379616.db2.gz KPMVMYGRSPESEA-UHFFFAOYSA-N -1 0 454.533 4.750 50 0 JJAARM COc1cc(NC(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccccc4)sc3c2)cc(OC)c1 ZINC000013349421 555379658 /nfs/dbraw/zinc/37/96/58/555379658.db2.gz KFIHAOKUFLREPW-UHFFFAOYSA-N -1 0 484.559 4.758 50 0 JJAARM O=C(Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1)Nc1ccc2c(c1)OCCO2 ZINC000013349316 555379696 /nfs/dbraw/zinc/37/96/96/555379696.db2.gz ZVJBGCRHWLLUIE-UHFFFAOYSA-N -1 0 482.543 4.512 50 0 JJAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(N4CCC(C)CC4)cc3)s2)on1 ZINC000009689027 555415810 /nfs/dbraw/zinc/41/58/10/555415810.db2.gz ROSSWDITTLHMQZ-UHFFFAOYSA-N -1 0 475.592 4.617 50 0 JJAARM Cc1nc2ccccc2c(=O)n1-c1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1 ZINC000009707413 555430273 /nfs/dbraw/zinc/43/02/73/555430273.db2.gz ZALHPVOMVNJWFO-UHFFFAOYSA-N -1 0 459.449 4.514 50 0 JJAARM CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000013522789 555486436 /nfs/dbraw/zinc/48/64/36/555486436.db2.gz SMOSGPOWFOZIMU-UHFFFAOYSA-N -1 0 496.610 4.864 50 0 JJAARM COc1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccco4)=NN32)c(C(=O)[O-])c1OC ZINC000013535179 555488386 /nfs/dbraw/zinc/48/83/86/555488386.db2.gz KYCVJKBDLNOHBR-OPAMFIHVSA-N -1 0 499.317 5.000 50 0 JJAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C(=O)OCC(=O)N(c2ccccc2)c2ccccc2)cc1 ZINC000013578989 555517422 /nfs/dbraw/zinc/51/74/22/555517422.db2.gz WDRTYCSSQOERCN-DQEYMECFSA-N -1 0 498.535 4.814 50 0 JJAARM C/C(=C/C(=O)Nc1ccc(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1)C(=O)[O-] ZINC000013579289 555518271 /nfs/dbraw/zinc/51/82/71/555518271.db2.gz PGUTYASPIUFGAC-OWBHPGMISA-N -1 0 467.572 4.819 50 0 JJAARM N=C(S[C@@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000013590134 555524556 /nfs/dbraw/zinc/52/45/56/555524556.db2.gz IPYVDRZOMIZEKU-DHIUTWEWSA-N -1 0 498.564 4.536 50 0 JJAARM Cc1ccc(C)c(OCC(=O)Nc2cc(NC(=O)COc3cc(C)ccc3C)cc(C(=O)[O-])c2)c1 ZINC000010060524 555613824 /nfs/dbraw/zinc/61/38/24/555613824.db2.gz BXDKVYDOMKLGTB-UHFFFAOYSA-N -1 0 476.529 4.653 50 0 JJAARM O=C([O-])c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4Cl)[C@H]3C2=O)cc1 ZINC000013807013 555623828 /nfs/dbraw/zinc/62/38/28/555623828.db2.gz KJZMNYXRTYALDE-QHAWAJNXSA-N -1 0 483.307 4.743 50 0 JJAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)nc(C)n1 ZINC000013883118 555640585 /nfs/dbraw/zinc/64/05/85/555640585.db2.gz IBTMZFPZNLQBBJ-UHFFFAOYSA-N -1 0 458.543 4.814 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000013896595 555643724 /nfs/dbraw/zinc/64/37/24/555643724.db2.gz LOWYUZGXLOYWKY-UHFFFAOYSA-N -1 0 499.592 4.978 50 0 JJAARM CCc1cc2c([nH]c(=S)n([N-]C(=O)c3cc(Br)c(Br)s3)c2=O)s1 ZINC000020192004 555692984 /nfs/dbraw/zinc/69/29/84/555692984.db2.gz DVAFGTQJAHEPPS-UHFFFAOYSA-N -1 0 495.243 4.653 50 0 JJAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2)s1 ZINC000010381871 555701769 /nfs/dbraw/zinc/70/17/69/555701769.db2.gz NQKFMAIECLRAPY-UHFFFAOYSA-N -1 0 480.571 4.946 50 0 JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(Cc4ccc(C(=O)N[C@H]5CCCC[C@H]5C)cc4)c3=O)c2c1 ZINC000020331215 555776181 /nfs/dbraw/zinc/77/61/81/555776181.db2.gz IFFGDXNPKRACRW-QRWLVFNGSA-N -1 0 476.602 4.906 50 0 JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)N[C@@H](C)c4ccccc4)c3=O)c2c1 ZINC000020331316 555776588 /nfs/dbraw/zinc/77/65/88/555776588.db2.gz YIBDCODOVZXEQB-HNNXBMFYSA-N -1 0 450.564 4.597 50 0 JJAARM O=C(C[C@@H]1SC(=O)[N-]C1=O)Oc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000011859321 555838545 /nfs/dbraw/zinc/83/85/45/555838545.db2.gz SDOVZPGNGSHGKS-RZPFDVGOSA-N -1 0 499.548 4.576 50 0 JJAARM CSCC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(C)cc1)C(=O)[O-] ZINC000011865570 555840475 /nfs/dbraw/zinc/84/04/75/555840475.db2.gz SWMBSQOIQMEUOU-OAQYLSRUSA-N -1 0 479.554 4.688 50 0 JJAARM CCOCCCn1c(=O)c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2[n-]c1=S ZINC000020644006 555845968 /nfs/dbraw/zinc/84/59/68/555845968.db2.gz GNOXJSXKWQSQDP-UHFFFAOYSA-N -1 0 465.619 4.581 50 0 JJAARM Cc1cccc(N2CCN(C(=O)C3CCC(Cn4c(=O)c5ccccc5[n-]c4=S)CC3)C[C@@H]2C)c1 ZINC000020644514 555846468 /nfs/dbraw/zinc/84/64/68/555846468.db2.gz OMWGUADJCRBZDS-HWELCPFYSA-N -1 0 490.673 4.911 50 0 JJAARM O=C(NCCc1ccc(Cl)cc1)c1ccc(Cn2c(=O)c3sccc3[n-]c2=S)cc1 ZINC000020645939 555846903 /nfs/dbraw/zinc/84/69/03/555846903.db2.gz NDWKWQVQCQSKGT-UHFFFAOYSA-N -1 0 455.992 4.795 50 0 JJAARM CCOC(=O)c1c[n-]c2c(cc3c(nc(C)n3-c3ccccc3)c2C(=O)c2ccccc2)c1=O ZINC000022023381 555863092 /nfs/dbraw/zinc/86/30/92/555863092.db2.gz ZQDFQMRAIKLRAX-UHFFFAOYSA-N -1 0 451.482 4.583 50 0 JJAARM C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(Br)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000015022352 555864084 /nfs/dbraw/zinc/86/40/84/555864084.db2.gz LXRCRGPDHUKWEN-HUUCEWRRSA-N -1 0 451.386 4.653 50 0 JJAARM Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)[n-]c2S(=O)(=O)c2ccccc2)c1 ZINC000012112477 555908816 /nfs/dbraw/zinc/90/88/16/555908816.db2.gz ANWCVHZBQAMNCL-UHFFFAOYSA-N -1 0 463.584 4.949 50 0 JJAARM CC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)[n-]c2S(=O)(=O)c2ccccc2)cc1 ZINC000012112492 555908851 /nfs/dbraw/zinc/90/88/51/555908851.db2.gz WOBLOGIESPOOPR-UHFFFAOYSA-N -1 0 491.594 4.843 50 0 JJAARM Cc1ccc(-c2nc(SCC(=O)NCc3ccccc3)c(S(=O)(=O)c3ccccc3)[n-]2)cc1 ZINC000012112501 555909200 /nfs/dbraw/zinc/90/92/00/555909200.db2.gz UMQRWGGHYDZCGP-UHFFFAOYSA-N -1 0 477.611 4.626 50 0 JJAARM Cc1ccc(-c2nc(SCC(=O)NC3CCCCC3)c(S(=O)(=O)c3ccccc3)[n-]2)cc1 ZINC000012112514 555909291 /nfs/dbraw/zinc/90/92/91/555909291.db2.gz CTKCKQVYXGTMLA-UHFFFAOYSA-N -1 0 469.632 4.759 50 0 JJAARM CC(C)(C)OC(=O)N1CCC[C@@H]([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])C1 ZINC000015446405 555909493 /nfs/dbraw/zinc/90/94/93/555909493.db2.gz XENRQNWROSXSPT-HXOBKFHXSA-N -1 0 480.561 4.625 50 0 JJAARM [O-]c1c([C@@H](c2ccccc2)N2CCN(c3ccccc3F)CC2)sc2nc(-c3ccco3)nn12 ZINC000022851804 555958487 /nfs/dbraw/zinc/95/84/87/555958487.db2.gz IZMMAXINHLIZJP-OAQYLSRUSA-N -1 0 475.549 4.807 50 0 JJAARM [O-]c1c([C@@H](c2ccc(F)cc2)N2CCN(c3ccccc3)CC2)sc2nc(-c3ccco3)nn12 ZINC000022852245 555959173 /nfs/dbraw/zinc/95/91/73/555959173.db2.gz SGLMWDSFZQHVNM-OAQYLSRUSA-N -1 0 475.549 4.807 50 0 JJAARM [O-]c1c([C@@H](c2cccc(F)c2)N2CCN(c3ccccc3)CC2)sc2nc(-c3ccco3)nn12 ZINC000022852181 555959196 /nfs/dbraw/zinc/95/91/96/555959196.db2.gz HMRRTKIOXVLBTE-OAQYLSRUSA-N -1 0 475.549 4.807 50 0 JJAARM [O-]c1c([C@H](c2ccco2)N2CCN(c3cccc(Cl)c3)CC2)sc2nc(-c3ccco3)nn12 ZINC000022852617 555959936 /nfs/dbraw/zinc/95/99/36/555959936.db2.gz UMGJGUQCTMRFRM-IBGZPJMESA-N -1 0 481.965 4.914 50 0 JJAARM CCOC(=O)C1CCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC000022853553 555960288 /nfs/dbraw/zinc/96/02/88/555960288.db2.gz FDWGXFGBWZQYON-QGZVFWFLSA-N -1 0 483.421 4.730 50 0 JJAARM CCc1nc2sc([C@@H](c3ccc(C(F)(F)F)cc3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000022854563 555960856 /nfs/dbraw/zinc/96/08/56/555960856.db2.gz LKFJYOAKEBULOS-HXUWFJFHSA-N -1 0 487.551 4.989 50 0 JJAARM CCc1nc2sc([C@H](c3ccc(F)c(F)c3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000022854799 555961496 /nfs/dbraw/zinc/96/14/96/555961496.db2.gz WFQQCNMACKGGMD-FQEVSTJZSA-N -1 0 489.979 4.902 50 0 JJAARM COc1cccc(C(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccc(C)cc4)sc3c2)c1 ZINC000015729288 555969544 /nfs/dbraw/zinc/96/95/44/555969544.db2.gz WTTKRHREZCTSNF-UHFFFAOYSA-N -1 0 453.545 4.666 50 0 JJAARM COc1ccc(C(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccc(C)cc4)sc3c2)cc1OC ZINC000015729294 555969662 /nfs/dbraw/zinc/96/96/62/555969662.db2.gz GQNLJSMAGALLCE-UHFFFAOYSA-N -1 0 483.571 4.675 50 0 JJAARM COc1ccccc1C(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccc(C)cc3)sc2c1 ZINC000015729305 555969963 /nfs/dbraw/zinc/96/99/63/555969963.db2.gz OKFNTYVCXZSGQZ-UHFFFAOYSA-N -1 0 453.545 4.666 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)CSc4ccncc4)cc3s2)cc1 ZINC000015729306 555969980 /nfs/dbraw/zinc/96/99/80/555969980.db2.gz XZOBUIQHKYTZTF-UHFFFAOYSA-N -1 0 470.601 4.531 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)c2cccc3c(C)c(C)[nH]c32)c1 ZINC000012521111 555992310 /nfs/dbraw/zinc/99/23/10/555992310.db2.gz ZNDXHNFTCSPKKF-UHFFFAOYSA-N -1 0 465.531 4.552 50 0 JJAARM COc1ccc(CNC(=O)Cc2ccc([N-]S(=O)(=O)c3c(Cl)cccc3Cl)cc2)cc1 ZINC000012532660 556003710 /nfs/dbraw/zinc/00/37/10/556003710.db2.gz VCMJDSYXJYSYER-UHFFFAOYSA-N -1 0 479.385 4.662 50 0 JJAARM O=C([O-])c1cc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)ccc1N1CCCCC1 ZINC000015799868 556008081 /nfs/dbraw/zinc/00/80/81/556008081.db2.gz FJTHBENQDDYUPG-ATEVHTGXSA-N -1 0 478.548 4.772 50 0 JJAARM CCc1ccccc1NC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[n-]1 ZINC000023118995 556012594 /nfs/dbraw/zinc/01/25/94/556012594.db2.gz CBDUQCMHQBPUEY-UHFFFAOYSA-N -1 0 454.602 4.798 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(SCc3nccn3C(F)F)nc2c1 ZINC000012540865 556014657 /nfs/dbraw/zinc/01/46/57/556014657.db2.gz BVPNZWAIBGUAKI-UHFFFAOYSA-N -1 0 466.491 4.521 50 0 JJAARM COc1ccc(CNC(=O)c2cc3ccccc3cc2[N-]S(=O)(=O)c2cccs2)cc1 ZINC000012541670 556015802 /nfs/dbraw/zinc/01/58/02/556015802.db2.gz LCUMIVUDVJSRTK-UHFFFAOYSA-N -1 0 452.557 4.641 50 0 JJAARM COc1cccc(C(=O)Nc2cc3sc([N-]S(=O)(=O)c4ccc(C)cc4)nc3c(C)c2)c1 ZINC000015862013 556034532 /nfs/dbraw/zinc/03/45/32/556034532.db2.gz AHVUZRDMFNTINU-UHFFFAOYSA-N -1 0 467.572 4.975 50 0 JJAARM CCCCN(CC)C(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000012557130 556044212 /nfs/dbraw/zinc/04/42/12/556044212.db2.gz GQBPWKMFYKUDJB-UHFFFAOYSA-N -1 0 469.401 4.521 50 0 JJAARM CCn1c(CCc2cccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)c2)nc2ccccc21 ZINC000015870466 556049986 /nfs/dbraw/zinc/04/99/86/556049986.db2.gz DUJURENGKZDYLQ-UHFFFAOYSA-N -1 0 465.575 4.659 50 0 JJAARM O=C(Nc1nc2cc([N-]S(=O)(=O)c3cc(F)ccc3F)ccc2s1)C1CCCCC1 ZINC000015870270 556050131 /nfs/dbraw/zinc/05/01/31/556050131.db2.gz OJQQBGIVSOPXGV-UHFFFAOYSA-N -1 0 451.520 4.894 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCc3sccc3[C@H]2C)ccc1C ZINC000012560886 556053292 /nfs/dbraw/zinc/05/32/92/556053292.db2.gz IWUFVMWTANFOBP-MRXNPFEDSA-N -1 0 456.589 4.625 50 0 JJAARM C[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000023441287 556060437 /nfs/dbraw/zinc/06/04/37/556060437.db2.gz SKGFVUONSOVMRP-OAHLLOKOSA-N -1 0 464.465 4.877 50 0 JJAARM COc1ccc(NC(=O)[C@H](C)Sc2ccccc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000015900813 556062364 /nfs/dbraw/zinc/06/23/64/556062364.db2.gz JQQWWQLLSVWVBH-HNNXBMFYSA-N -1 0 460.552 4.754 50 0 JJAARM CC(=O)c1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000015911112 556064869 /nfs/dbraw/zinc/06/48/69/556064869.db2.gz 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JJAARM COc1ccc(C)cc1NC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[n-]1 ZINC000017026265 556205761 /nfs/dbraw/zinc/20/57/61/556205761.db2.gz CMOYCOOLHIBPGC-UHFFFAOYSA-N -1 0 470.601 4.553 50 0 JJAARM COCCCn1c(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(Cl)c(Cl)c3)cc2[n-]c1=S ZINC000017963189 556273121 /nfs/dbraw/zinc/27/31/21/556273121.db2.gz ZWRXIQNFOSCJHP-LBPRGKRZSA-N -1 0 466.390 4.520 50 0 JJAARM COc1cccc(OC)c1C(=O)[N-]n1c(=O)c2ccccc2nc1-c1ccc(C(C)(C)C)cc1 ZINC000027527555 556288482 /nfs/dbraw/zinc/28/84/82/556288482.db2.gz FWJLVDSXGJLQGG-UHFFFAOYSA-N -1 0 457.530 4.762 50 0 JJAARM COc1ccc(C[C@@H](NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)c2ccc(OC)cc2)cc1 ZINC000018201926 556308936 /nfs/dbraw/zinc/30/89/36/556308936.db2.gz XKVZEDZLRLILMB-XMMPIXPASA-N -1 0 489.597 4.567 50 0 JJAARM O=C([N-]N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000013115665 556323113 /nfs/dbraw/zinc/32/31/13/556323113.db2.gz UNJSMXZXNLWZKF-UHFFFAOYSA-N -1 0 488.956 4.604 50 0 JJAARM O=C([N-]c1nc(-c2ccc(I)o2)ns1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000028405271 556332952 /nfs/dbraw/zinc/33/29/52/556332952.db2.gz RGOOAXQPHRRBJA-UHFFFAOYSA-N -1 0 498.689 4.963 50 0 JJAARM COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1OC ZINC000032145632 556433181 /nfs/dbraw/zinc/43/31/81/556433181.db2.gz YURHHSKELUTBHB-UHFFFAOYSA-N -1 0 480.464 4.776 50 0 JJAARM O=C([O-])CCC(=O)N1N=C(c2c(=O)[nH]c3ccccc3c2-c2ccccc2)C[C@H]1c1ccccc1 ZINC000032935049 556550174 /nfs/dbraw/zinc/55/01/74/556550174.db2.gz XANXNHRQIMSAJQ-QHCPKHFHSA-N -1 0 465.509 4.738 50 0 JJAARM Cc1ccccc1NC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2C)c(=O)[n-]1 ZINC000032948437 556564070 /nfs/dbraw/zinc/56/40/70/556564070.db2.gz MZROPGMNTUOKFC-UHFFFAOYSA-N -1 0 454.602 4.852 50 0 JJAARM Cc1cccc(N2CCN(c3ccc(NS(=O)(=O)c4cc(C)ccc4C)cc3C(=O)[O-])C[C@H]2C)c1 ZINC000032962116 569602804 /nfs/dbraw/zinc/60/28/04/569602804.db2.gz ASIAKNXFXXIPEJ-OAQYLSRUSA-N -1 0 493.629 4.826 50 0 JJAARM Cc1cccc(N2CCN(c3ccc(C(=O)[O-])cc3NS(=O)(=O)c3ccc(C)cc3C)C[C@H]2C)c1 ZINC000032971170 569603568 /nfs/dbraw/zinc/60/35/68/569603568.db2.gz QQBRIDKXESCTMD-OAQYLSRUSA-N -1 0 493.629 4.826 50 0 JJAARM Cc1cccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5ccccc5F)cc4)cn3)n2)c1 ZINC000032974779 569605897 /nfs/dbraw/zinc/60/58/97/569605897.db2.gz PYEFIMCCTBDSGK-UHFFFAOYSA-N -1 0 489.532 4.897 50 0 JJAARM Cc1cccc(N2CCN(c3ccc(NS(=O)(=O)c4cc(C)c(C)cc4C)c(C(=O)[O-])c3)CC2)c1 ZINC000033007069 569615154 /nfs/dbraw/zinc/61/51/54/569615154.db2.gz BYQFWGICIALLOD-UHFFFAOYSA-N -1 0 493.629 4.746 50 0 JJAARM CCCc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4cccc(C)c4)CC3)cc2C(=O)[O-])cc1 ZINC000033007099 569615231 /nfs/dbraw/zinc/61/52/31/569615231.db2.gz GGLVHHCZHWHDRW-UHFFFAOYSA-N -1 0 493.629 4.773 50 0 JJAARM COc1ccc(S(=O)(=O)Nc2ccc(N3CCC(Cc4ccccc4)CC3)cc2C(=O)[O-])cc1 ZINC000033007148 569615435 /nfs/dbraw/zinc/61/54/35/569615435.db2.gz FFZNMDKCMDBHKY-UHFFFAOYSA-N -1 0 480.586 4.653 50 0 JJAARM COc1cc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033008023 569615768 /nfs/dbraw/zinc/61/57/68/569615768.db2.gz GYAVJTNPDOKHNB-UHFFFAOYSA-N -1 0 481.555 4.561 50 0 JJAARM O=C1C([O-])=C(S(=O)(=O)c2ccccc2)[C@@H](c2ccc(F)cc2)N1c1ccc(Br)cc1 ZINC000064557920 569618285 /nfs/dbraw/zinc/61/82/85/569618285.db2.gz WVXJUBZNPOBCMB-LJQANCHMSA-N -1 0 488.334 4.920 50 0 JJAARM Cc1ccc2nc(CSc3ccccc3[N-]S(=O)(=O)c3ccc(Cl)s3)cc(=O)n2c1 ZINC000033026203 569621013 /nfs/dbraw/zinc/62/10/13/569621013.db2.gz MNCPLUBCNXUZQK-UHFFFAOYSA-N -1 0 478.020 4.811 50 0 JJAARM COc1ccc(CC(=O)Nc2ccc(N3CCN(c4cccc(Cl)c4)CC3)cc2C(=O)[O-])cc1 ZINC000064590396 569621496 /nfs/dbraw/zinc/62/14/96/569621496.db2.gz XSRQBHRRJKPYDB-UHFFFAOYSA-N -1 0 479.964 4.555 50 0 biogenic JJAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)[n-]c1=O ZINC000064687494 569623801 /nfs/dbraw/zinc/62/38/01/569623801.db2.gz IONXOLHNUYFLTC-UHFFFAOYSA-N -1 0 491.495 4.569 50 0 JJAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2C)[n-]c1=O ZINC000064774471 569626425 /nfs/dbraw/zinc/62/64/25/569626425.db2.gz MGNVLDFKBYUZIW-UHFFFAOYSA-N -1 0 471.970 4.512 50 0 JJAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(SCC(=O)Nc2ccccc2C(C)C)[n-]c1=O ZINC000064774492 569626509 /nfs/dbraw/zinc/62/65/09/569626509.db2.gz WMAIHDVXJVINIW-UHFFFAOYSA-N -1 0 465.579 4.674 50 0 JJAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(S[C@H](C)C(=O)Nc2cc(Cl)ccc2C)[n-]c1=O ZINC000064774514 569626570 /nfs/dbraw/zinc/62/65/70/569626570.db2.gz HZSHPGLOIMXDCI-CQSZACIVSA-N -1 0 485.997 4.901 50 0 JJAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(C)cc2C)[n-]c1=O ZINC000064774530 569626586 /nfs/dbraw/zinc/62/65/86/569626586.db2.gz AQHAACOZPHLASO-MRXNPFEDSA-N -1 0 465.579 4.556 50 0 JJAARM CC(C)C(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C(C)C)cc2)[n-]c1=O ZINC000064774588 569626667 /nfs/dbraw/zinc/62/66/67/569626667.db2.gz BKHIOAOKJSCZHJ-UHFFFAOYSA-N -1 0 465.579 4.693 50 0 JJAARM Cc1ccc(C)c(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3NC(=O)C(C)C)c(=O)[n-]2)c1 ZINC000064774628 569626871 /nfs/dbraw/zinc/62/68/71/569626871.db2.gz LDBJXWNVCBINFG-INIZCTEOSA-N -1 0 465.579 4.575 50 0 JJAARM Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3NC(=O)C(C)C)c(=O)[n-]2)c(C)c1 ZINC000064774624 569626877 /nfs/dbraw/zinc/62/68/77/569626877.db2.gz OFKHVTNPZFZCCU-INIZCTEOSA-N -1 0 465.579 4.575 50 0 JJAARM Cc1cc(C)cc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3NC(=O)C(C)C)c(=O)[n-]2)c1 ZINC000064774633 569626911 /nfs/dbraw/zinc/62/69/11/569626911.db2.gz NWERXTLVWIKBJR-MRXNPFEDSA-N -1 0 465.579 4.575 50 0 JJAARM Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2NC(=O)c2ccccc2)c(=O)[n-]1 ZINC000064774744 569627001 /nfs/dbraw/zinc/62/70/01/569627001.db2.gz LQCCGUPPQKDPQX-UHFFFAOYSA-N -1 0 471.542 4.536 50 0 JJAARM C[C@H](Sc1nnc(-c2ccccc2NC(=O)c2ccccc2)c(=O)[n-]1)C(=O)Nc1ccccc1 ZINC000064774735 569627025 /nfs/dbraw/zinc/62/70/25/569627025.db2.gz KQMWRFRYLRRGHL-INIZCTEOSA-N -1 0 471.542 4.616 50 0 JJAARM Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3NC(=O)c3ccccc3)c(=O)[n-]2)c1 ZINC000064774739 569627049 /nfs/dbraw/zinc/62/70/49/569627049.db2.gz LRXJXHUQXKDJQK-UHFFFAOYSA-N -1 0 485.569 4.844 50 0 JJAARM N=C1/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C(=O)N=C2SC(c3ccccc3Cl)=NN21 ZINC000033615704 569628905 /nfs/dbraw/zinc/62/89/05/569628905.db2.gz UXAQDEUCXSKKAU-HFUGBDTNSA-N -1 0 476.901 4.966 50 0 JJAARM COc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)cc(OC)c1OC ZINC000064796085 569630152 /nfs/dbraw/zinc/63/01/52/569630152.db2.gz GUEFTOMTIMUYCP-OAHLLOKOSA-N -1 0 453.516 4.922 50 0 JJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2cc(OC)c(OC)cc2OC)CC(=O)N3)cc1 ZINC000064796824 569630270 /nfs/dbraw/zinc/63/02/70/569630270.db2.gz AAGUKLCMZNPISH-OAHLLOKOSA-N -1 0 469.515 4.622 50 0 JJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2cc(OC)c(OC)c(OC)c2)CC(=O)N3)cc1 ZINC000064796922 569630298 /nfs/dbraw/zinc/63/02/98/569630298.db2.gz RCYYARCDLSNMRM-HNNXBMFYSA-N -1 0 469.515 4.622 50 0 JJAARM Cc1nn(C)c(C)c1CCCN(C)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Br)cc1 ZINC000064820718 569636142 /nfs/dbraw/zinc/63/61/42/569636142.db2.gz CSJTXERHKSGYTR-UHFFFAOYSA-N -1 0 499.409 4.819 50 0 JJAARM Cc1ccc(N2CCCN(Cc3ccc(F)cc3)C2=O)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000034737711 569654499 /nfs/dbraw/zinc/65/44/99/569654499.db2.gz QJXUQNNWWVAOPP-UHFFFAOYSA-N -1 0 471.529 4.906 50 0 JJAARM Cc1ccc(N2CCCN(Cc3c(F)cccc3F)C2=O)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000034737752 569654501 /nfs/dbraw/zinc/65/45/01/569654501.db2.gz YZERPPPYMUZBDI-UHFFFAOYSA-N -1 0 471.529 4.906 50 0 JJAARM CC(C)NC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000065059716 569654773 /nfs/dbraw/zinc/65/47/73/569654773.db2.gz RICMTSZVVLOYJB-UHFFFAOYSA-N -1 0 451.957 4.528 50 0 JJAARM CC(C)NC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)nc1 ZINC000065063468 569656606 /nfs/dbraw/zinc/65/66/06/569656606.db2.gz GVIJYHJRLJHPBI-UHFFFAOYSA-N -1 0 451.957 4.528 50 0 JJAARM Cc1cccc(CNC(=O)CCc2nnc(-c3ccc(OCc4ccc(F)cc4)cc3)[n-]c2=O)c1 ZINC000034762988 569657990 /nfs/dbraw/zinc/65/79/90/569657990.db2.gz WQTTXLZYVZAZMJ-UHFFFAOYSA-N -1 0 472.520 4.520 50 0 JJAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(-c3nc(-c4ccc(Cl)cc4)no3)cs2)c1 ZINC000065097989 569661690 /nfs/dbraw/zinc/66/16/90/569661690.db2.gz SJHAJSODEIFYDF-UHFFFAOYSA-N -1 0 477.951 4.937 50 0 JJAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3cccc(F)c3)c2)sc1C(=O)N1CCCCC1 ZINC000065117096 569667054 /nfs/dbraw/zinc/66/70/54/569667054.db2.gz RPBDNLKVXLFYAP-UHFFFAOYSA-N -1 0 465.597 4.746 50 0 JJAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cn2C)sc1C(=O)N1CCCCC1 ZINC000065137520 569668384 /nfs/dbraw/zinc/66/83/84/569668384.db2.gz FMLRAXQFWHWFKR-UHFFFAOYSA-N -1 0 497.017 4.676 50 0 JJAARM Cc1ccc(N2C[C@H](c3nc(-c4ccc([N-]S(=O)(=O)c5cccs5)cc4)no3)CC2=O)cc1C ZINC000065319131 569673766 /nfs/dbraw/zinc/67/37/66/569673766.db2.gz RWIWWYHURWWVGT-GOSISDBHSA-N -1 0 494.598 4.736 50 0 JJAARM CCc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4cccc(C)c4)[C@H](C)C3)c(C(=O)[O-])c2)cc1 ZINC000035239920 569678580 /nfs/dbraw/zinc/67/85/80/569678580.db2.gz LXQNPSSEJFFBGB-HXUWFJFHSA-N -1 0 493.629 4.772 50 0 JJAARM CCC(=O)Nc1ccccc1-c1nnc(S[C@@H](CC)C(=O)Nc2ccc(Cl)cc2)[n-]c1=O ZINC000035377958 569685686 /nfs/dbraw/zinc/68/56/86/569685686.db2.gz YCHYCWUQAMFAQU-KRWDZBQOSA-N -1 0 471.970 4.756 50 0 JJAARM CCC(=O)Nc1ccccc1-c1nnc(S[C@@H](CC)C(=O)Nc2cccc(Cl)c2)[n-]c1=O ZINC000035377950 569685698 /nfs/dbraw/zinc/68/56/98/569685698.db2.gz TVZSIKBPIKZCKP-KRWDZBQOSA-N -1 0 471.970 4.756 50 0 JJAARM CCC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)[n-]c1=O ZINC000035378032 569685797 /nfs/dbraw/zinc/68/57/97/569685797.db2.gz SGYHZKJIEGYNML-UHFFFAOYSA-N -1 0 478.361 4.630 50 0 JJAARM CCCCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000035397568 569688209 /nfs/dbraw/zinc/68/82/09/569688209.db2.gz JIEFTXFMTMRRHC-UHFFFAOYSA-N -1 0 457.527 4.526 50 0 JJAARM CCCCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000035397577 569688215 /nfs/dbraw/zinc/68/82/15/569688215.db2.gz JURWBXWXEQTDLI-UHFFFAOYSA-N -1 0 475.517 4.666 50 0 JJAARM CCOc1ccc(S(=O)(=O)Nc2cnc(N3CC=C(c4ccccc4C)CC3)c(C(=O)[O-])c2)cc1 ZINC000035397802 569688474 /nfs/dbraw/zinc/68/84/74/569688474.db2.gz CQVBKAXLVOPNRO-UHFFFAOYSA-N -1 0 493.585 4.581 50 0 JJAARM CCCOc1cc(Br)c(/C=C2/C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)cc1OC ZINC000083331778 569708713 /nfs/dbraw/zinc/70/87/13/569708713.db2.gz VNOUGPUJEOPUKF-LICLKQGHSA-N -1 0 473.323 4.751 50 0 JJAARM COc1cccc(-c2[n-]n(-c3ccc(C)cc3)c(=O)c2C=C2NC(=O)N(Cc3cccc(F)c3)C2=O)c1 ZINC000035829491 569713103 /nfs/dbraw/zinc/71/31/03/569713103.db2.gz YZYHNYKPGYFQNC-IWIPYMOSSA-N -1 0 498.514 4.794 50 0 JJAARM O=C([O-])CCC(=O)N1N=C(c2cccc(Br)c2)C[C@@H]1c1cccc(Br)c1 ZINC000089774397 569719658 /nfs/dbraw/zinc/71/96/58/569719658.db2.gz NXHXHOWICNSFJL-QGZVFWFLSA-N -1 0 480.156 4.754 50 0 JJAARM O=C1C[C@H](c2ccc(O)c(Cl)c2)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096115578 569734433 /nfs/dbraw/zinc/73/44/33/569734433.db2.gz PTEFYTIPESPDIH-CQSZACIVSA-N -1 0 450.830 4.671 50 0 biogenic JJAARM COc1cc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccccc5)oc4c32)cc(OC)c1OC ZINC000096115791 569734730 /nfs/dbraw/zinc/73/47/30/569734730.db2.gz VGQNUUIPHYIDSU-INIZCTEOSA-N -1 0 474.465 4.632 50 0 biogenic JJAARM O=c1cc(-c2ccccc2)oc2c1c([O-])cc1c2[C@@H](c2cc3cccc4c3n(c2=O)CCC4)CC(=O)O1 ZINC000096116418 569735252 /nfs/dbraw/zinc/73/52/52/569735252.db2.gz SSAROIRYUILLBM-LJQANCHMSA-N -1 0 491.499 4.868 50 0 biogenic JJAARM COC(=O)C[C@H](c1ccc2nccnc2c1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096116233 569735302 /nfs/dbraw/zinc/73/53/02/569735302.db2.gz TUDJWSJQRDRQLI-QGZVFWFLSA-N -1 0 468.465 4.509 50 0 biogenic JJAARM COc1ccc(/C=C\C(=O)Nc2cc(OC)c(OC)cc2C(=O)[O-])cc1OCc1ccccc1 ZINC000098006961 569749528 /nfs/dbraw/zinc/74/95/28/569749528.db2.gz LPXCHKIWANRZCE-BENRWUELSA-N -1 0 463.486 4.642 50 0 JJAARM O=C(Nc1cccc(O)c1)C(=O)C(=C([O-])c1ccc(Cl)c(Cl)c1)[C@H]1OC(=O)c2ccccc21 ZINC000100721737 569767740 /nfs/dbraw/zinc/76/77/40/569767740.db2.gz ZPGSJKQHAAINEI-UGKGYDQZSA-N -1 0 484.291 4.617 50 0 JJAARM O=S(=O)([N-]c1nc2n(n1)[C@H](c1ccc(F)cc1)CC(c1ccc(Cl)cc1)=N2)c1ccccc1 ZINC000101006087 569778925 /nfs/dbraw/zinc/77/89/25/569778925.db2.gz KMBVVBWICBOMHY-NRFANRHFSA-N -1 0 481.940 4.927 50 0 JJAARM O=S(=O)([N-]c1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(c1ccccc1)=N2)c1ccccc1 ZINC000101018164 569779613 /nfs/dbraw/zinc/77/96/13/569779613.db2.gz NIOCZZPEPMNWSU-NRFANRHFSA-N -1 0 463.950 4.788 50 0 JJAARM O=S(=O)([N-]c1nc2n(n1)[C@@H](c1ccccc1)CC(c1ccccc1)=N2)c1ccc(Cl)cc1 ZINC000101019402 569779693 /nfs/dbraw/zinc/77/96/93/569779693.db2.gz GYCZHUOMKZTYPD-OAQYLSRUSA-N -1 0 463.950 4.788 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3n(n2)[C@@H](c2ccc(F)cc2)CC(c2ccccc2)=N3)cc1 ZINC000101020536 569779713 /nfs/dbraw/zinc/77/97/13/569779713.db2.gz PMDCLUOGPSSSMK-JOCHJYFZSA-N -1 0 461.522 4.582 50 0 JJAARM CCCCOc1ccc(NC(=O)[C@H](C)Sc2ccc(NC(=O)/C=C(/C)C(=O)[O-])cc2)cc1 ZINC000037018947 569781156 /nfs/dbraw/zinc/78/11/56/569781156.db2.gz HEMWPGFRJSOINA-BHWVZIDZSA-N -1 0 456.564 4.954 50 0 JJAARM COc1ccc([C@@H]2CC(c3c([O-])n(C)c(=S)n(C)c3=O)=Nc3ccccc3S2)cc1OC ZINC000101494946 569800188 /nfs/dbraw/zinc/80/01/88/569800188.db2.gz HLLPKGSXVQFOJF-IBGZPJMESA-N -1 0 469.588 4.534 50 0 JJAARM COc1ccccc1-n1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@@H](c3cccs3)C2)c1=O ZINC000101766751 569804753 /nfs/dbraw/zinc/80/47/53/569804753.db2.gz DQUNWUXKQNPHJK-HXUWFJFHSA-N -1 0 477.567 4.659 50 0 JJAARM Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccccc3-c3n[nH]c(=S)[n-]c3=O)C2=O)c(C)c1 ZINC000101858319 569806359 /nfs/dbraw/zinc/80/63/59/569806359.db2.gz DAAUKUQYGMNNAH-ZHZULCJRSA-N -1 0 495.564 4.790 50 0 JJAARM Cc1oc(-c2cccc(Cl)c2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(C(C)C)cc3)c(=O)c1=2 ZINC000102478922 569813523 /nfs/dbraw/zinc/81/35/23/569813523.db2.gz HMBFGCILKAITAL-LEWJYISDSA-N -1 0 463.925 4.920 50 0 JJAARM CCOc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3cccc(Br)c3)[C@@H]2C1=O ZINC000102756673 569821310 /nfs/dbraw/zinc/82/13/10/569821310.db2.gz ILRRTUNBFQAYMI-RJGXRXQPSA-N -1 0 493.357 4.899 50 0 JJAARM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2ON(c3ccccc3C)[C@@H](c3ccccc3)[C@@H]2C1=O ZINC000102863172 569825155 /nfs/dbraw/zinc/82/51/55/569825155.db2.gz QKGHOTIOQYKHCM-RJGXRXQPSA-N -1 0 490.581 4.901 50 0 JJAARM CC(=O)N1c2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c(Br)cc2C[C@H]1C ZINC000040450568 569828689 /nfs/dbraw/zinc/82/86/89/569828689.db2.gz UNLUABKICGEHMD-SNVBAGLBSA-N -1 0 477.302 4.566 50 0 JJAARM COc1ccc2[nH]cc(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)[O-])c2c1 ZINC000040566528 569830224 /nfs/dbraw/zinc/83/02/24/569830224.db2.gz LOSXXKTXEHICBG-RUZDIDTESA-N -1 0 456.498 4.711 50 0 JJAARM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N2CCCC[C@H]2CCO3)c(Cl)cc1Cl ZINC000049464346 569848028 /nfs/dbraw/zinc/84/80/28/569848028.db2.gz JTNVMRWNBUYXCY-HNNXBMFYSA-N -1 0 469.390 4.880 50 0 JJAARM CC(C)(C)OC(=O)N1CC[C@@H](C(=O)[O-])C[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000052508227 569852346 /nfs/dbraw/zinc/85/23/46/569852346.db2.gz IOLBCFZNMMGGCA-OPAMFIHVSA-N -1 0 466.534 4.583 50 0 JJAARM O=C([O-])c1cc(I)ccc1N[C@@H]1C(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000230044413 570043867 /nfs/dbraw/zinc/04/38/67/570043867.db2.gz FJHCODMFLLSCDN-ACRUOGEOSA-N -1 0 499.304 4.852 50 0 JJAARM CCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c(Cl)cc12 ZINC000238924231 570047942 /nfs/dbraw/zinc/04/79/42/570047942.db2.gz RERZBPOOKQSLED-BZUAXINKSA-N -1 0 463.958 4.564 50 0 JJAARM COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OC)c(OC)c2C(=O)[O-])cc1OC ZINC000245255450 570060015 /nfs/dbraw/zinc/06/00/15/570060015.db2.gz IHNSIYZSOLOHHM-SIBVEZHUSA-N -1 0 490.512 4.662 50 0 JJAARM [NH3+][C@H](CS[C@@H](/C=C/C=C/C=C/C/C=C/CCCCC(F)(F)F)[C@H](O)CCCC(=O)[O-])C(=O)[O-] ZINC000247712465 570069013 /nfs/dbraw/zinc/06/90/13/570069013.db2.gz KOJLKTXOQDHBBV-WERMNBCTSA-N -1 0 493.588 4.854 50 0 JJAARM COc1cc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000252628244 570088822 /nfs/dbraw/zinc/08/88/22/570088822.db2.gz SLOXYCFIBLYCLA-MGKZWSNHSA-N -1 0 478.526 4.944 50 0 JJAARM COc1cc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(Cl)cc5)coc4c32)cc(OC)c1O ZINC000253414660 570098639 /nfs/dbraw/zinc/09/86/39/570098639.db2.gz YCZZFMHHDJOBOZ-OAHLLOKOSA-N -1 0 494.883 4.983 50 0 JJAARM COc1cc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(Cl)cc5)coc4c32)cc2c1OCO2 ZINC000253414815 570098648 /nfs/dbraw/zinc/09/86/48/570098648.db2.gz YSCUQLFHUXTMCU-HNNXBMFYSA-N -1 0 492.867 4.997 50 0 JJAARM COc1ccc([C@H](CC(=O)Nc2ccc(C(F)(F)F)cc2)c2c([O-])cc(C)oc2=O)cc1O ZINC000253471561 570099411 /nfs/dbraw/zinc/09/94/11/570099411.db2.gz VDLMMTSTLUULQB-INIZCTEOSA-N -1 0 463.408 4.548 50 0 JJAARM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3ccc(O)c(Cl)c3)CC(=O)O4)c2=O)cc1OC ZINC000263585760 570171331 /nfs/dbraw/zinc/17/13/31/570171331.db2.gz MDQAVLNSRPXICA-CQSZACIVSA-N -1 0 494.883 4.983 50 0 JJAARM COc1ccc(OC)c(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cc4cccc(C)c4nc3Cl)C2)c1 ZINC000328597845 570179117 /nfs/dbraw/zinc/17/91/17/570179117.db2.gz JBPJWRVHFYPLOY-FQEVSTJZSA-N -1 0 481.936 4.756 50 0 JJAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2)n1 ZINC000001033580 194006564 /nfs/dbraw/zinc/00/65/64/194006564.db2.gz ZNQZWOJQAQVSLR-UHFFFAOYSA-N -1 0 466.350 4.845 50 0 JJAARM CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000001081448 194020580 /nfs/dbraw/zinc/02/05/80/194020580.db2.gz IHZFLORRBDPBPS-HXOBKFHXSA-N -1 0 480.561 4.768 50 0 JJAARM CCc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000001145310 194047244 /nfs/dbraw/zinc/04/72/44/194047244.db2.gz LAQHXBQXJIOLKK-UHFFFAOYSA-N -1 0 461.547 4.695 50 0 JJAARM Cc1ccc(C(=O)c2ccc(Br)cc2)cc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000001196062 194067412 /nfs/dbraw/zinc/06/74/12/194067412.db2.gz YEQRZSSTNROHOM-UHFFFAOYSA-N -1 0 465.756 4.838 50 0 JJAARM Cc1ccc(-n2c(SCC(=O)Nc3ccccc3)nc([O-])c(Cc3ccccc3)c2=O)cc1 ZINC000001203196 194069155 /nfs/dbraw/zinc/06/91/55/194069155.db2.gz HEFBELVFVQDRER-UHFFFAOYSA-N -1 0 457.555 4.568 50 0 JJAARM 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COc1ccc(NC(=O)c2ccc3c(c2)nc2c(c3SCC(=O)[O-])CCCC2)cc1OC ZINC000008599169 194465982 /nfs/dbraw/zinc/46/59/82/194465982.db2.gz UITMTQIKTREYSR-UHFFFAOYSA-N -1 0 452.532 4.560 50 0 JJAARM COc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(F)cc4)=NN32)c(C(=O)[O-])c1OC ZINC000009216407 194602106 /nfs/dbraw/zinc/60/21/06/194602106.db2.gz QACXDMIPLZGVQY-CLOONOSVSA-N -1 0 478.476 4.792 50 0 JJAARM COc1ccc(NC(=O)CCC(=O)c2cc(C)sc2C)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000009882505 195010806 /nfs/dbraw/zinc/01/08/06/195010806.db2.gz FYBRBSVJYPCNPM-UHFFFAOYSA-N -1 0 490.578 4.915 50 0 JJAARM O=C(Nc1ccc2c(c1)OCCO2)c1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000009885456 195014605 /nfs/dbraw/zinc/01/46/05/195014605.db2.gz UDWQIMWOYBQJIY-UHFFFAOYSA-N -1 0 485.370 4.879 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)Cc2c(C)nc3ccccc3c2C)c1 ZINC000009957291 195037140 /nfs/dbraw/zinc/03/71/40/195037140.db2.gz BTRWHECOYNWBAF-UHFFFAOYSA-N -1 0 475.570 4.842 50 0 JJAARM COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C2=O)cc1 ZINC000009934463 195027088 /nfs/dbraw/zinc/02/70/88/195027088.db2.gz WUGWIGPNWTWSIG-MTJSOVHGSA-N -1 0 492.509 4.637 50 0 JJAARM O=C([O-])c1ccc(-n2cccc2/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1 ZINC000009934884 195027726 /nfs/dbraw/zinc/02/77/26/195027726.db2.gz ZQZLMQALPZDVDD-XDHOZWIPSA-N -1 0 481.917 4.504 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccccc2Br)c1 ZINC000012605055 195050070 /nfs/dbraw/zinc/05/00/70/195050070.db2.gz WSMKYLYTTNOEEO-HNNXBMFYSA-N -1 0 489.391 4.750 50 0 JJAARM COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)c(OC)c2C(=O)[O-])c1 ZINC000012661329 195081071 /nfs/dbraw/zinc/08/10/71/195081071.db2.gz MVCRBDJMNCHZKT-NBGIEHNGSA-N -1 0 460.486 4.653 50 0 biogenic JJAARM CCOC(=O)c1ccc(CN(C(=S)Nc2cccc(OC)c2)[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000020678917 195203407 /nfs/dbraw/zinc/20/34/07/195203407.db2.gz RYLCTJQZTUQJOH-NRFANRHFSA-N -1 0 458.580 4.570 50 0 JJAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1csc(-c2ccc(OC(F)(F)F)cc2)n1 ZINC000020736354 195212982 /nfs/dbraw/zinc/21/29/82/195212982.db2.gz CFNUKKFXHVQOEA-LJQANCHMSA-N -1 0 489.475 4.545 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)Cc2csc(-c3ccccc3)n2)c1 ZINC000021028939 195269350 /nfs/dbraw/zinc/26/93/50/195269350.db2.gz BFNYIWRRRQYRRT-UHFFFAOYSA-N -1 0 479.583 4.801 50 0 JJAARM Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)c(C)n1C ZINC000021030134 195269693 /nfs/dbraw/zinc/26/96/93/195269693.db2.gz JMQMKCWASRRXFX-UHFFFAOYSA-N -1 0 491.963 4.987 50 0 JJAARM CCn1c(CCc2ccc([N-]S(=O)(=O)c3cc(C)ccc3NC(C)=O)cc2)nc2ccccc21 ZINC000021357369 195297787 /nfs/dbraw/zinc/29/77/87/195297787.db2.gz RVKAOZBFOGLLKQ-UHFFFAOYSA-N -1 0 476.602 4.909 50 0 JJAARM Cc1ccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)cc1C ZINC000021931747 195335157 /nfs/dbraw/zinc/33/51/57/195335157.db2.gz ACOKMOYBKCVBDS-UHFFFAOYSA-N -1 0 460.353 4.514 50 0 JJAARM Cc1cc(C)cc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)c1 ZINC000021931752 195335354 /nfs/dbraw/zinc/33/53/54/195335354.db2.gz JXFZYZLXIPKUDD-UHFFFAOYSA-N -1 0 460.353 4.514 50 0 JJAARM CCOC(=O)[C@H]1CCCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Cl)cc2)C1 ZINC000102894230 130376719 /nfs/dbraw/zinc/37/67/19/130376719.db2.gz HYRHSOYDBPWNNI-MAUKXSAKSA-N -1 0 486.981 4.774 50 0 JJAARM CCOC(=O)[C@@H]1CCCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Cl)cc2)C1 ZINC000102894228 130376817 /nfs/dbraw/zinc/37/68/17/130376817.db2.gz HYRHSOYDBPWNNI-CRAIPNDOSA-N -1 0 486.981 4.774 50 0 JJAARM CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002527715 518840098 /nfs/dbraw/zinc/84/00/98/518840098.db2.gz VJLMKRMQAHWPID-GAJHUEQPSA-N -1 0 480.561 4.768 50 0 JJAARM CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)s1 ZINC000033303160 519702351 /nfs/dbraw/zinc/70/23/51/519702351.db2.gz ZVBCDSYEPUYAEY-SOFGYWHQSA-N -1 0 471.482 4.993 50 0 JJAARM CC(=O)Nc1cc(-c2nc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3)no2)ccc1C ZINC000033122877 519702983 /nfs/dbraw/zinc/70/29/83/519702983.db2.gz BBALJZFHZDCSNN-UHFFFAOYSA-N -1 0 454.533 4.533 50 0 JJAARM CCCCCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C(=O)[O-])c4ccccc4C3c3ccccc32)cc1 ZINC000006472274 520256285 /nfs/dbraw/zinc/25/62/85/520256285.db2.gz LHMICCDGFSGTEI-YCJWUMIHSA-N -1 0 481.548 4.891 50 0 JJAARM CCCCCn1c([N-]S(=O)(=O)c2ccc(F)cc2)c(C(=O)OCC)c2nc3ccccc3nc21 ZINC000002293561 520333751 /nfs/dbraw/zinc/33/37/51/520333751.db2.gz GDXJHWSKWRGQKA-UHFFFAOYSA-N -1 0 484.553 4.891 50 0 JJAARM CCCCN(CC)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000033253999 520484982 /nfs/dbraw/zinc/48/49/82/520484982.db2.gz ZFZZMTHGLIQWTF-UHFFFAOYSA-N -1 0 455.374 4.575 50 0 JJAARM CCOc1c(Br)cc(C=C(Cl)c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1OC ZINC000009254413 520588686 /nfs/dbraw/zinc/58/86/86/520588686.db2.gz VHAMJRVKEMNZHJ-AUWJEWJLSA-N -1 0 479.714 4.528 50 0 JJAARM CCOc1cc(/C=C(\CC(=O)[O-])c2nc3ccccc3s2)ccc1O[C@H](C)C(=O)N(C)C ZINC000014022781 520616262 /nfs/dbraw/zinc/61/62/62/520616262.db2.gz TUDBDDHVBPRYNA-YHZJOHHESA-N -1 0 454.548 4.566 50 0 JJAARM CCCCOC(=O)c1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000006146070 520724807 /nfs/dbraw/zinc/72/48/07/520724807.db2.gz VDTNYEMODLBGKM-UHFFFAOYSA-N -1 0 470.522 4.836 50 0 JJAARM CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)[N-]c2cc(C)ccc2OC)cc1 ZINC000033297953 521195374 /nfs/dbraw/zinc/19/53/74/521195374.db2.gz VXBUUMZNOZKPKM-LCYFTJDESA-N -1 0 455.536 4.620 50 0 JJAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(C)cc2C)[n-]c1=O ZINC000021882726 521202261 /nfs/dbraw/zinc/20/22/61/521202261.db2.gz QOQJEUJKLNFXEA-INIZCTEOSA-N -1 0 465.579 4.637 50 0 JJAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2cc(Cl)ccc2C)[n-]c1=O ZINC000021882750 521202987 /nfs/dbraw/zinc/20/29/87/521202987.db2.gz ARBZCUOEOXGRMW-UHFFFAOYSA-N -1 0 471.970 4.594 50 0 JJAARM CCN(C[C@@H](O)c1cccc(O)c1)C(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000006173395 521219641 /nfs/dbraw/zinc/21/96/41/521219641.db2.gz LPISWMPSIHRZTK-RUZDIDTESA-N -1 0 496.629 4.622 50 0 JJAARM CCN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1C(=O)[O-] ZINC000033253323 521376711 /nfs/dbraw/zinc/37/67/11/521376711.db2.gz WMKJGKHCOMYKOR-UHFFFAOYSA-N -1 0 474.966 4.874 50 0 JJAARM CCCc1cc(Sc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2)n2ncnc2n1 ZINC000033276036 521385775 /nfs/dbraw/zinc/38/57/75/521385775.db2.gz ALRKCPNYPVWMRJ-UHFFFAOYSA-N -1 0 459.984 4.682 50 0 JJAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2c3oc(C(=O)N4CCCC4)c(C)c3cc(C)c2C)c1 ZINC000065010460 521546602 /nfs/dbraw/zinc/54/66/02/521546602.db2.gz BQTDKEQIIXHNBB-UHFFFAOYSA-N -1 0 484.574 4.572 50 0 JJAARM CCCn1nc(C)cc1CN(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1C(=O)[O-] ZINC000033253807 521669245 /nfs/dbraw/zinc/66/92/45/521669245.db2.gz VSUODGLLRDUXIL-UHFFFAOYSA-N -1 0 496.633 4.616 50 0 JJAARM CCN1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000022798561 521696015 /nfs/dbraw/zinc/69/60/15/521696015.db2.gz SSOSIWJHISZFHW-KRWDZBQOSA-N -1 0 478.405 4.790 50 0 JJAARM COc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCC(=O)[O-] ZINC000002165050 521970783 /nfs/dbraw/zinc/97/07/83/521970783.db2.gz WNHWUHTYDYQDSO-APSNUPSMSA-N -1 0 498.738 4.815 50 0 JJAARM COC(=O)c1ccc([N-]S(=O)(=O)c2c3oc(C(=O)N4CCCCC4)c(C)c3cc(C)c2C)cc1 ZINC000065010718 522130503 /nfs/dbraw/zinc/13/05/03/522130503.db2.gz QSJJKKMMKAOLAC-UHFFFAOYSA-N -1 0 484.574 4.572 50 0 JJAARM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4cccc(F)c4)no3)sc2C)cc1 ZINC000046141540 522133930 /nfs/dbraw/zinc/13/39/30/522133930.db2.gz GWKGGOWVQJVRQH-UHFFFAOYSA-N -1 0 473.507 4.500 50 0 JJAARM COC(=O)c1ccccc1NC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000002984235 522282687 /nfs/dbraw/zinc/28/26/87/522282687.db2.gz TTWCFXZCJLSMOP-CQSZACIVSA-N -1 0 486.590 4.741 50 0 JJAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccccc1Sc1ncnc2c(C)csc21 ZINC000008626502 522452607 /nfs/dbraw/zinc/45/26/07/522452607.db2.gz CUXDHVBWOSQVNP-UHFFFAOYSA-N -1 0 477.614 4.800 50 0 JJAARM COc1cc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2C)cc(OC)c1 ZINC000016956611 522769498 /nfs/dbraw/zinc/76/94/98/522769498.db2.gz SZHMSVWGMYZFSV-UHFFFAOYSA-N -1 0 464.547 4.808 50 0 JJAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(C)cn3)c2)cc1Cl ZINC000014683589 522815482 /nfs/dbraw/zinc/81/54/82/522815482.db2.gz FTOGIOIKSMKEON-UHFFFAOYSA-N -1 0 496.372 4.767 50 0 JJAARM CC[C@@H](Sc1nnc(-c2cc(C)ccc2NC(C)=O)c(=O)[n-]1)C(=O)Nc1cccc(Cl)c1 ZINC000021882650 523086712 /nfs/dbraw/zinc/08/67/12/523086712.db2.gz OLSKAZDTAHKIFI-GOSISDBHSA-N -1 0 471.970 4.674 50 0 JJAARM CC[C@@H]1CCCCN1C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000006271551 523164729 /nfs/dbraw/zinc/16/47/29/523164729.db2.gz OEEWHSDCOBCNQE-MRXNPFEDSA-N -1 0 451.386 4.655 50 0 JJAARM COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)[N-]c1cccc(C)c1C ZINC000033170631 523437318 /nfs/dbraw/zinc/43/73/18/523437318.db2.gz RULYVSNGAJQGKU-BENRWUELSA-N -1 0 455.536 4.538 50 0 JJAARM CCc1c(C)nc2ncnn2c1Sc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000033122298 523714237 /nfs/dbraw/zinc/71/42/37/523714237.db2.gz CHJMWGLJZRJEIY-UHFFFAOYSA-N -1 0 466.013 4.662 50 0 JJAARM CCc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc3nsnc32)cc1 ZINC000002412682 523997353 /nfs/dbraw/zinc/99/73/53/523997353.db2.gz FOESFGQJBAUOJQ-UHFFFAOYSA-N -1 0 462.560 4.741 50 0 JJAARM CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000016399828 524000839 /nfs/dbraw/zinc/00/08/39/524000839.db2.gz ABEZNRFHZOZMTI-SFHVURJKSA-N -1 0 465.575 4.576 50 0 JJAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2ccncc2)c1 ZINC000040050701 524245581 /nfs/dbraw/zinc/24/55/81/524245581.db2.gz LGNGWUCSGMSVRF-OAQYLSRUSA-N -1 0 471.966 4.522 50 0 JJAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(N3CCOCC3)cc2)c1C ZINC000006146581 524254052 /nfs/dbraw/zinc/25/40/52/524254052.db2.gz JKFLECMXEZKARU-UHFFFAOYSA-N -1 0 493.629 4.810 50 0 JJAARM Cc1cccc(N2C(=O)[N-]C(=O)[C@](CCc3ccncc3)(Cc3ccc(C(C)C)cc3)C2=O)c1 ZINC000016293265 524532719 /nfs/dbraw/zinc/53/27/19/524532719.db2.gz XFHDVVWNUSTHRL-NDEPHWFRSA-N -1 0 455.558 4.958 50 0 JJAARM COc1ccccc1N1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2C(=O)[O-])CC1 ZINC000033078530 524564248 /nfs/dbraw/zinc/56/42/48/524564248.db2.gz FNVPDLMTKQJBDZ-UHFFFAOYSA-N -1 0 465.937 4.626 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2c3oc(C(=O)N4CCCCC4)c(C)c3cc(C)c2C)cc1 ZINC000065010579 524682661 /nfs/dbraw/zinc/68/26/61/524682661.db2.gz BIMMUVDHKYBUID-UHFFFAOYSA-N -1 0 456.564 4.794 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)c(C(=O)NCc2ccccc2)c1 ZINC000023445586 524683408 /nfs/dbraw/zinc/68/34/08/524683408.db2.gz WLWKTULCNNIZHO-UHFFFAOYSA-N -1 0 452.576 4.660 50 0 JJAARM Cc1ccc(Cl)cc1N1CCN(c2ccc(NC(=O)c3cccs3)cc2C(=O)[O-])CC1 ZINC000033078583 524737724 /nfs/dbraw/zinc/73/77/24/524737724.db2.gz FGQXVMKKMJKUJJ-UHFFFAOYSA-N -1 0 455.967 4.987 50 0 JJAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(-c3nc(-c4ccccc4)cs3)n(C)c2C)c1 ZINC000065008677 524869625 /nfs/dbraw/zinc/86/96/25/524869625.db2.gz SZYFBEKRBYEJRS-UHFFFAOYSA-N -1 0 469.588 4.942 50 0 JJAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)c1 ZINC000016215371 524870696 /nfs/dbraw/zinc/87/06/96/524870696.db2.gz QJCZTSRSXLUPKE-UHFFFAOYSA-N -1 0 461.927 4.802 50 0 JJAARM Cc1ccc(NC(=O)CSc2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])cc2)cc1Cl ZINC000022566270 525076195 /nfs/dbraw/zinc/07/61/95/525076195.db2.gz MXWKUGHJAFINGA-RTBURBONSA-N -1 0 458.967 4.985 50 0 JJAARM Cc1ccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCN(Cc3ccccc3)CC2)cc1 ZINC000022795399 525980984 /nfs/dbraw/zinc/98/09/84/525980984.db2.gz WVHHPOGBJOENMP-HSZRJFAPSA-N -1 0 485.613 4.972 50 0 JJAARM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c(=O)oc12 ZINC000002114050 525996789 /nfs/dbraw/zinc/99/67/89/525996789.db2.gz IWXAIXFBGNHMQY-QFIPXVFZSA-N -1 0 475.541 4.808 50 0 biogenic JJAARM C[C@@H](c1ccccc1)N(C)C(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000023261093 526083578 /nfs/dbraw/zinc/08/35/78/526083578.db2.gz LIMOWABRUIUPLK-KRWDZBQOSA-N -1 0 486.977 4.517 50 0 JJAARM O=C([O-])[C@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc2ccccc2c1 ZINC000012351523 526314929 /nfs/dbraw/zinc/31/49/29/526314929.db2.gz SRRSSKRYMVZCSB-CLJLJLNGSA-N -1 0 453.494 4.865 50 0 JJAARM O=C([O-])c1cc(NC(=O)c2cccc(Cl)c2)ccc1N1CCN(c2ccccc2F)CC1 ZINC000033078665 526350956 /nfs/dbraw/zinc/35/09/56/526350956.db2.gz ALHHLZMSRDESET-UHFFFAOYSA-N -1 0 453.901 4.756 50 0 JJAARM O=C([O-])c1cc(NC(=O)c2ccc(F)cc2)ccc1N1CCN(c2ccccc2Cl)CC1 ZINC000033078500 526351623 /nfs/dbraw/zinc/35/16/23/526351623.db2.gz LRXLGBQFOQURSP-UHFFFAOYSA-N -1 0 453.901 4.756 50 0 JJAARM O=C([O-])c1cc(NS(=O)(=O)c2cccc(F)c2)ccc1N1CCC(Cc2ccccc2)CC1 ZINC000033253342 526354689 /nfs/dbraw/zinc/35/46/89/526354689.db2.gz VDHMMRHSPYJWFT-UHFFFAOYSA-N -1 0 468.550 4.784 50 0 JJAARM Cc1oc2c(cc3c(C)c(CC(=O)N4CCC(C(=O)[O-])CC4)c(=O)oc3c2C)c1-c1ccccc1 ZINC000002119492 526779641 /nfs/dbraw/zinc/77/96/41/526779641.db2.gz AOUNRWVFIKUSDO-UHFFFAOYSA-N -1 0 473.525 4.997 50 0 biogenic JJAARM Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])c(C)c21 ZINC000008764968 526779802 /nfs/dbraw/zinc/77/98/02/526779802.db2.gz BSODIOSTEDXKNA-NRFANRHFSA-N -1 0 486.524 4.609 50 0 biogenic JJAARM Cc1oc2c(cc3c(C)c(CC(=O)NCC4(CC(=O)[O-])CCCCC4)c(=O)oc3c2C)c1C ZINC000008880003 526779927 /nfs/dbraw/zinc/77/99/27/526779927.db2.gz MPHFZQOGBAPDRM-UHFFFAOYSA-N -1 0 453.535 4.857 50 0 biogenic JJAARM Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(Nc2ccc(C(=O)[O-])c(O)c2)n1 ZINC000002862371 526994152 /nfs/dbraw/zinc/99/41/52/526994152.db2.gz HTUMPAOKALPGCT-UHFFFAOYSA-N -1 0 452.517 4.975 50 0 JJAARM Cc1nc2sc([C@@H](c3ccc(C(C)C)cc3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000023157220 527205932 /nfs/dbraw/zinc/20/59/32/527205932.db2.gz DDHHALFBFSPNNN-JOCHJYFZSA-N -1 0 465.598 4.979 50 0 JJAARM O=S(=O)([N-]c1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1)c1cccs1 ZINC000016127862 527252907 /nfs/dbraw/zinc/25/29/07/527252907.db2.gz FWAUPGPDWVJRFE-UHFFFAOYSA-N -1 0 476.573 4.664 50 0 JJAARM O=C([N-]S(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccccc1 ZINC000016345617 527255748 /nfs/dbraw/zinc/25/57/48/527255748.db2.gz HXYIUTPUKPOAIM-UHFFFAOYSA-N -1 0 464.330 4.756 50 0 JJAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3Cl)CC2)cc1 ZINC000000627108 553714940 /nfs/dbraw/zinc/71/49/40/553714940.db2.gz GBDWIDIPKDVUDA-RTBURBONSA-N -1 0 474.388 4.926 50 0 JJAARM CC(C)c1ccc(N2CCN(C(=O)c3ccccc3NC(=O)/C=C(/C(=O)[O-])c3ccccc3)CC2)cc1 ZINC000000628503 553715987 /nfs/dbraw/zinc/71/59/87/553715987.db2.gz LAEGGDYRSDRWDT-LHLOQNFPSA-N -1 0 497.595 4.879 50 0 JJAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2)n1 ZINC000000670583 553745056 /nfs/dbraw/zinc/74/50/56/553745056.db2.gz MDZSGFGCXGNPMB-CQSZACIVSA-N -1 0 495.388 4.607 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2Br)cc1 ZINC000000866152 553805615 /nfs/dbraw/zinc/80/56/15/553805615.db2.gz PORPROATIZNOPT-UHFFFAOYSA-N -1 0 461.337 4.511 50 0 JJAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(-c4ccccc4)cc3)cc2)no1 ZINC000000935615 553873306 /nfs/dbraw/zinc/87/33/06/553873306.db2.gz OJGPRDJVIDLIDP-SFHVURJKSA-N -1 0 477.542 4.857 50 0 JJAARM Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1 ZINC000000994499 553896933 /nfs/dbraw/zinc/89/69/33/553896933.db2.gz XJSYSXHTWIZCMQ-MRXNPFEDSA-N -1 0 496.976 4.798 50 0 aggregator JJAARM CCOC(=O)c1c([N-]S(=O)(=O)c2ccc(Br)cc2)sc2c1CC[C@H](C)C2 ZINC000000995047 553896950 /nfs/dbraw/zinc/89/69/50/553896950.db2.gz KOGBFNMPFOLZRS-NSHDSACASA-N -1 0 458.399 4.613 50 0 JJAARM O=C(c1ccc2c(c1)[n-]c(=S)n(CCC1=CCCCC1)c2=O)N1CCN(c2ccccc2)CC1 ZINC000001148912 553916303 /nfs/dbraw/zinc/91/63/03/553916303.db2.gz ORHNZCUOIZGCPJ-UHFFFAOYSA-N -1 0 474.630 4.912 50 0 JJAARM CCc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000001167002 553920430 /nfs/dbraw/zinc/92/04/30/553920430.db2.gz BIZMHDKAMRBMSP-UHFFFAOYSA-N -1 0 461.547 4.695 50 0 JJAARM O=C([O-])c1ccc(NC(=S)N[C@@H](NC(=O)c2cccc3ccccc32)C(Cl)(Cl)Cl)cc1 ZINC000001232954 553936356 /nfs/dbraw/zinc/93/63/56/553936356.db2.gz LKLIOTVDIZPHEM-LJQANCHMSA-N -1 0 496.803 4.951 50 0 JJAARM CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2cc3c(-c4ccccc4)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002099216 554042038 /nfs/dbraw/zinc/04/20/38/554042038.db2.gz QYHOXTJQNHJQAM-FATZIPQQSA-N -1 0 461.514 4.981 50 0 biogenic JJAARM Cc1coc2cc3oc(=O)c(CCC(=O)N[C@@H](CSCc4ccccc4)C(=O)[O-])c(C)c3cc12 ZINC000002100904 554042677 /nfs/dbraw/zinc/04/26/77/554042677.db2.gz PIQYHRSIPFECTR-NRFANRHFSA-N -1 0 479.554 4.591 50 0 biogenic JJAARM CCN1C(=O)S/C(=C\c2ccc(OCc3cccc(C(=O)[O-])c3)c(Br)c2)C1=O ZINC000002116882 554053736 /nfs/dbraw/zinc/05/37/36/554053736.db2.gz IUXDGBKWHKMEQX-YVLHZVERSA-N -1 0 462.321 4.783 50 0 JJAARM CC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(Br)cc1)C(=O)[O-] ZINC000002131570 554060467 /nfs/dbraw/zinc/06/04/67/554060467.db2.gz PGHHRZUDMKIHKE-IBGZPJMESA-N -1 0 498.329 4.799 50 0 biogenic JJAARM CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])ccc12 ZINC000002154523 554072014 /nfs/dbraw/zinc/07/20/14/554072014.db2.gz MYVZFRIIUFAZIR-HXOBKFHXSA-N -1 0 490.556 4.505 50 0 biogenic JJAARM CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])ccc12 ZINC000002154521 554072079 /nfs/dbraw/zinc/07/20/79/554072079.db2.gz MYVZFRIIUFAZIR-SBUREZEXSA-N -1 0 490.556 4.505 50 0 biogenic JJAARM O=C(CSc1nc2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2s1)NCc1ccccc1 ZINC000002305534 554141427 /nfs/dbraw/zinc/14/14/27/554141427.db2.gz QSCDWVINXQPVMC-UHFFFAOYSA-N -1 0 477.567 4.655 50 0 JJAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(Cl)cc1)c1cccc2nsnc21 ZINC000002359607 554165380 /nfs/dbraw/zinc/16/53/80/554165380.db2.gz MPNJFTIUHCGENR-UHFFFAOYSA-N -1 0 468.951 4.832 50 0 JJAARM COc1ccc(OC)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000002405629 554188301 /nfs/dbraw/zinc/18/83/01/554188301.db2.gz WQJXVKFKZLRMQM-UHFFFAOYSA-N -1 0 470.938 4.845 50 0 JJAARM Cc1cc(C)cc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC000002411768 554192319 /nfs/dbraw/zinc/19/23/19/554192319.db2.gz OUMZUNZGXNHLJC-UHFFFAOYSA-N -1 0 462.560 4.796 50 0 JJAARM COc1ccccc1CNc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000002424419 554200200 /nfs/dbraw/zinc/20/02/00/554200200.db2.gz RIJCFGJWBXNNSY-UHFFFAOYSA-N -1 0 454.939 4.705 50 0 JJAARM CCc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC000002431932 554205542 /nfs/dbraw/zinc/20/55/42/554205542.db2.gz YRFBZCRPIGDLLI-UHFFFAOYSA-N -1 0 462.560 4.741 50 0 JJAARM COc1ccc2[nH]cc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)[O-])c2c1 ZINC000002583094 554237655 /nfs/dbraw/zinc/23/76/55/554237655.db2.gz LOSXXKTXEHICBG-VWLOTQADSA-N -1 0 456.498 4.711 50 0 JJAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002654884 554270728 /nfs/dbraw/zinc/27/07/28/554270728.db2.gz YUIMEBXRARDODS-UHFFFAOYSA-N -1 0 490.385 4.567 50 0 JJAARM Cc1nn([C@@H](C)c2nnc([N-]c3ccn(Cc4ccccc4)n3)s2)c(C)c1Br ZINC000002731104 554315166 /nfs/dbraw/zinc/31/51/66/554315166.db2.gz HYHIEBKLCHUWFB-AWEZNQCLSA-N -1 0 458.389 4.712 50 0 JJAARM Cc1nn(C)c(-c2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)c1Br ZINC000002731329 554315573 /nfs/dbraw/zinc/31/55/73/554315573.db2.gz AUTCPCZUVHJKCC-UHFFFAOYSA-N -1 0 464.780 4.651 50 0 JJAARM Cc1c(Br)c(C(F)F)nn1Cc1nnc([N-]c2ccn(Cc3ccccc3)n2)s1 ZINC000002731462 554315891 /nfs/dbraw/zinc/31/58/91/554315891.db2.gz TZGXLQCAOMLBQP-UHFFFAOYSA-N -1 0 480.342 4.780 50 0 JJAARM O=S(=O)([N-]c1cnn(Cc2c(F)cc(F)c(F)c2F)c1)c1cc(Cl)ccc1Cl ZINC000002803783 554354936 /nfs/dbraw/zinc/35/49/36/554354936.db2.gz IZHPNMWPLYMRPR-UHFFFAOYSA-N -1 0 454.232 4.595 50 0 JJAARM O=S(=O)([N-]c1cnn(Cc2cccc(C(F)(F)F)c2)c1)c1ccc(Br)s1 ZINC000002804344 554355242 /nfs/dbraw/zinc/35/52/42/554355242.db2.gz RITDSHGQKMTSOO-UHFFFAOYSA-N -1 0 466.304 4.575 50 0 JJAARM Cc1c2cc(C)c(C)cc2oc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1 ZINC000002843095 554373945 /nfs/dbraw/zinc/37/39/45/554373945.db2.gz AOFOZCLLZVRYHU-UHFFFAOYSA-N -1 0 450.520 4.510 50 0 JJAARM O=C(NCc1ccccc1)c1ccc2c(c1)[n-]c(=S)n(CCc1c[nH]c3ccccc13)c2=O ZINC000002970236 554414111 /nfs/dbraw/zinc/41/41/11/554414111.db2.gz WWQXOYADTIQAQE-UHFFFAOYSA-N -1 0 454.555 4.713 50 0 JJAARM Cc1nc2sccn2c1-c1csc(Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)n1 ZINC000006024079 554500615 /nfs/dbraw/zinc/50/06/15/554500615.db2.gz AYSDSVIYOAKLFY-UHFFFAOYSA-N -1 0 497.631 4.779 50 0 JJAARM CC(=O)[N-]S(=O)(=O)c1ccc(/N=c2\ssc3c2-c2cc(C)ccc2N(C)C3(C)C)cc1 ZINC000008432144 554585354 /nfs/dbraw/zinc/58/53/54/554585354.db2.gz XVTLRZDHWFYGOD-LNVKXUELSA-N -1 0 473.645 4.527 50 0 JJAARM CCOc1ccc(N=C2S/C(=C\c3cc(Cl)c(OCC(=O)[O-])c(OC)c3)C(=O)N2CC)cc1 ZINC000008438868 554589905 /nfs/dbraw/zinc/58/99/05/554589905.db2.gz RAICZHOQLONACY-NRNHFWIGSA-N -1 0 490.965 4.835 50 0 JJAARM CCOc1ccc2nc(Cl)c([C@H]3CC(c4ccc(OC)cc4)=NN3C(=O)CCC(=O)[O-])cc2c1 ZINC000008739298 554640839 /nfs/dbraw/zinc/64/08/39/554640839.db2.gz MIIFCSFEMXHQQX-JOCHJYFZSA-N -1 0 481.936 4.838 50 0 JJAARM CCCCCCc1c(C)c2ccc(OCC(=O)NCC3CCC(C(=O)[O-])CC3)c(C)c2oc1=O ZINC000008789219 554681567 /nfs/dbraw/zinc/68/15/67/554681567.db2.gz VWOOUTZXHHVCRN-UHFFFAOYSA-N -1 0 471.594 4.919 50 0 biogenic JJAARM O=C1N[C@H](c2cccc(Oc3ccccc3)c2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000008915505 554809387 /nfs/dbraw/zinc/80/93/87/554809387.db2.gz DQISCTGGGKDBKN-OPYAIIAOSA-N -1 0 462.449 4.644 50 0 JJAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc2c(c1)OCO2)c1ccc(Br)cc1 ZINC000008951415 554834205 /nfs/dbraw/zinc/83/42/05/554834205.db2.gz UKZFWLPQXHFFGO-UHFFFAOYSA-N -1 0 499.346 4.665 50 0 JJAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCC[C@H]1C(=O)[O-])occ3-c1ccc(Cl)cc1 ZINC000008952664 554836264 /nfs/dbraw/zinc/83/62/64/554836264.db2.gz PBJBLFGZVXIICC-FQEVSTJZSA-N -1 0 465.889 4.786 50 0 biogenic JJAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N(C)c1cc(C)ccc1O2 ZINC000008961485 554837905 /nfs/dbraw/zinc/83/79/05/554837905.db2.gz IRUDHOSEOLWCKU-UHFFFAOYSA-N -1 0 452.532 4.804 50 0 JJAARM CCOc1ccc2nc([N-][C@@](NC(=O)c3ccc(Cl)cc3)(C(=O)OC)C(F)(F)F)sc2c1 ZINC000008969591 554843253 /nfs/dbraw/zinc/84/32/53/554843253.db2.gz CXEJTNSTEGKKBY-IBGZPJMESA-N -1 0 487.887 4.622 50 0 JJAARM COc1cc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)ccc1OCc1ccccc1F ZINC000009087862 554889731 /nfs/dbraw/zinc/88/97/31/554889731.db2.gz HHTBYIRCAHQPJA-UHFFFAOYSA-N -1 0 466.509 4.560 50 0 JJAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(OCCc2ccccc2)cc1 ZINC000009096286 554894690 /nfs/dbraw/zinc/89/46/90/554894690.db2.gz HLXRUWKGEQEVPS-UHFFFAOYSA-N -1 0 479.583 4.818 50 0 JJAARM Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)s1 ZINC000009116293 554903730 /nfs/dbraw/zinc/90/37/30/554903730.db2.gz IABJKDYSGPDMOI-UHFFFAOYSA-N -1 0 456.574 4.628 50 0 JJAARM CC(C)CCN1c2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2OCC(C)(C)C1=O ZINC000009169289 554952914 /nfs/dbraw/zinc/95/29/14/554952914.db2.gz ZNOLRDFQTRZEEZ-UHFFFAOYSA-N -1 0 452.523 4.563 50 0 JJAARM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(CC(C)C)C(=O)C(C)(C)CO2 ZINC000009172790 554954446 /nfs/dbraw/zinc/95/44/46/554954446.db2.gz MCOVWGBJNYEPPA-UHFFFAOYSA-N -1 0 460.596 4.602 50 0 JJAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(CCC(C)C)C(=O)C(C)(C)CO2 ZINC000009174382 554954967 /nfs/dbraw/zinc/95/49/67/554954967.db2.gz BQKWIVQRKYLJGH-UHFFFAOYSA-N -1 0 481.014 4.947 50 0 JJAARM O=C(Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1)c1cccs1 ZINC000009218499 554987421 /nfs/dbraw/zinc/98/74/21/554987421.db2.gz AJVJUUZKYQMJBJ-UHFFFAOYSA-N -1 0 484.584 4.510 50 0 JJAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(NC(=O)c2ccccc2)cc1 ZINC000009220075 554989097 /nfs/dbraw/zinc/98/90/97/554989097.db2.gz CIQGVIKJLDFJBV-UHFFFAOYSA-N -1 0 475.364 4.901 50 0 JJAARM Cc1csc2nc(CSc3ccccc3[N-]S(=O)(=O)c3ccc(Cl)cc3)cc(=O)n12 ZINC000009228289 555002116 /nfs/dbraw/zinc/00/21/16/555002116.db2.gz OIZGWLGZQRTNPK-UHFFFAOYSA-N -1 0 478.020 4.811 50 0 JJAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2SCCOc2ccccc2)cc1 ZINC000009285242 555059343 /nfs/dbraw/zinc/05/93/43/555059343.db2.gz AFQJQZCAEBKGEM-UHFFFAOYSA-N -1 0 494.598 4.560 50 0 JJAARM COc1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccco4)=NN32)c(C(=O)[O-])c1OC ZINC000009301336 555074664 /nfs/dbraw/zinc/07/46/64/555074664.db2.gz KYCVJKBDLNOHBR-AOMKIAJQSA-N -1 0 499.317 5.000 50 0 JJAARM COc1ccc(NC(=O)CSc2nc([O-])c(Cc3ccccc3)c(=O)n2-c2ccccc2C)cc1 ZINC000009335067 555102488 /nfs/dbraw/zinc/10/24/88/555102488.db2.gz SNNSUTMMXSWHFG-UHFFFAOYSA-N -1 0 487.581 4.577 50 0 JJAARM CC[C@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000009352274 555117712 /nfs/dbraw/zinc/11/77/12/555117712.db2.gz OXUAOJFQJGCBSM-GJZGRUSLSA-N -1 0 485.027 4.539 50 0 JJAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(Oc4ccccc4)c3)cc2)n1 ZINC000009354645 555118954 /nfs/dbraw/zinc/11/89/54/555118954.db2.gz JCGFDIGMVKOGNR-UHFFFAOYSA-N -1 0 474.542 4.939 50 0 JJAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccccc3)c3ccccc3)cc2)n1 ZINC000009355766 555120436 /nfs/dbraw/zinc/12/04/36/555120436.db2.gz ZBBFZBVZNVOUCF-HKOYGPOVSA-N -1 0 470.554 4.765 50 0 JJAARM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc2Cl)c1C ZINC000009355977 555120656 /nfs/dbraw/zinc/12/06/56/555120656.db2.gz SGKPAPIMFOLQRI-UHFFFAOYSA-N -1 0 458.923 4.739 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cccc4c3O[C@@H](C)[C@H]4C)ccc2OC)cc1 ZINC000009376743 555137789 /nfs/dbraw/zinc/13/77/89/555137789.db2.gz DSPYLIJTOHUXDC-CVEARBPZSA-N -1 0 482.558 4.641 50 0 JJAARM O=C(Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1)c1cccs1 ZINC000009378537 555139949 /nfs/dbraw/zinc/13/99/49/555139949.db2.gz SLKKGSLBEYFOIU-UHFFFAOYSA-N -1 0 484.584 4.510 50 0 JJAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cccc(OCc2ccccc2)c1 ZINC000009378619 555140286 /nfs/dbraw/zinc/14/02/86/555140286.db2.gz VUDQCYSEVBWMTC-UHFFFAOYSA-N -1 0 465.556 4.775 50 0 JJAARM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=S)NC3CCCCC3)ccc2OC)cc1 ZINC000009402808 555160766 /nfs/dbraw/zinc/16/07/66/555160766.db2.gz LFWQCVCOKKWLHW-UHFFFAOYSA-N -1 0 463.625 4.514 50 0 JJAARM C[C@@H]1CCC[C@H](NC(=O)CCCn2c(=O)c3cc(Br)ccc3[n-]c2=S)[C@@H]1C ZINC000009434333 555205372 /nfs/dbraw/zinc/20/53/72/555205372.db2.gz WUDCCMITBVORMP-IOASZLSFSA-N -1 0 452.418 4.543 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2cccc(Br)c2)ccc1C ZINC000009441608 555212568 /nfs/dbraw/zinc/21/25/68/555212568.db2.gz YMKPEJBQFYGAAV-UHFFFAOYSA-N -1 0 475.364 4.819 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)CCc2ccccc2)ccc1N1CCCC1 ZINC000009444365 555217286 /nfs/dbraw/zinc/21/72/86/555217286.db2.gz KFVIVTPGSIFEOH-UHFFFAOYSA-N -1 0 479.602 4.668 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=S)NCc2cccs2)ccc1Cl ZINC000009466814 555243162 /nfs/dbraw/zinc/24/31/62/555243162.db2.gz WOFLYTDVNGAQCZ-UHFFFAOYSA-N -1 0 468.025 4.698 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)CCCc2c[nH]c3ccccc23)c1 ZINC000009468091 555246972 /nfs/dbraw/zinc/24/69/72/555246972.db2.gz IHKXZRDXNHDYGW-UHFFFAOYSA-N -1 0 493.585 4.947 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)N=Cc1c(C)nn(-c3ccc(F)cc3)c1O2 ZINC000009540103 555332574 /nfs/dbraw/zinc/33/25/74/555332574.db2.gz BNQLGZDDIMWHAK-UHFFFAOYSA-N -1 0 478.505 4.986 50 0 JJAARM O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)NC1CCCCCCC1 ZINC000013145277 555341626 /nfs/dbraw/zinc/34/16/26/555341626.db2.gz LQIFMHQZQNNMQO-UHFFFAOYSA-N -1 0 478.998 4.527 50 0 JJAARM Cc1cccc(NS(=O)(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3Cl)c2)c1 ZINC000009645115 555357762 /nfs/dbraw/zinc/35/77/62/555357762.db2.gz OECCOGSZOONPLF-UHFFFAOYSA-N -1 0 450.969 4.558 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)NCc4ccc(F)cc4)cc3s2)cc1 ZINC000013349088 555378822 /nfs/dbraw/zinc/37/88/22/555378822.db2.gz UPZYTLWYSDLKAW-UHFFFAOYSA-N -1 0 470.551 4.866 50 0 JJAARM COC(=O)c1ccc([C@@H]2c3c(n[nH]c3-c3ccc(C)cc3)C(=O)N2c2ccc(C(=O)[O-])cc2)cc1 ZINC000009679120 555404270 /nfs/dbraw/zinc/40/42/70/555404270.db2.gz CALYJMXHYSTCDZ-XMMPIXPASA-N -1 0 467.481 4.620 50 0 JJAARM Cc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(-n4cncn4)cc3)ccc2Cl)c(C)c1 ZINC000009592298 555406701 /nfs/dbraw/zinc/40/67/01/555406701.db2.gz HDEXKWAOJIRMJM-UHFFFAOYSA-N -1 0 481.965 4.591 50 0 JJAARM Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)c(C)n1C ZINC000009685348 555414194 /nfs/dbraw/zinc/41/41/94/555414194.db2.gz MLBIVEICIGGWIR-UHFFFAOYSA-N -1 0 482.444 4.530 50 0 JJAARM COc1ccc(Cl)cc1NC(=O)[C@@]1(CC(=O)[O-])CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000013607410 555531705 /nfs/dbraw/zinc/53/17/05/555531705.db2.gz REDJMZAMEQYBRT-IBGZPJMESA-N -1 0 457.697 4.632 50 0 JJAARM Cc1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(Nc3ccc4c(c3)OCO4)nc2c1 ZINC000009858123 555559731 /nfs/dbraw/zinc/55/97/31/555559731.db2.gz BYCROJVFLDYPAR-UHFFFAOYSA-N -1 0 468.922 4.865 50 0 JJAARM COc1ccc(NC(=O)c2c(NC(=O)CCC(=O)[O-])sc3c2CC[C@@H](C(C)(C)C)C3)cc1 ZINC000009995004 555588988 /nfs/dbraw/zinc/58/89/88/555588988.db2.gz AAWUYRPZLXBHIA-CQSZACIVSA-N -1 0 458.580 4.963 50 0 JJAARM COc1ccc(NC(=O)c2c(NC(=O)CCC(=O)[O-])sc3c2CC[C@H](C(C)(C)C)C3)cc1 ZINC000009995006 555589012 /nfs/dbraw/zinc/58/90/12/555589012.db2.gz AAWUYRPZLXBHIA-AWEZNQCLSA-N -1 0 458.580 4.963 50 0 JJAARM Cc1cnc(NC(=O)c2ccc3nc([N-]S(=O)(=O)c4ccc(Cl)cc4)sc3c2)s1 ZINC000013725733 555600196 /nfs/dbraw/zinc/60/01/96/555600196.db2.gz VMADYDIMWKZPKJ-UHFFFAOYSA-N -1 0 464.981 4.768 50 0 JJAARM O=C(Nc1ccc2[nH]ccc2c1)c1ccc2nc([N-]S(=O)(=O)c3ccc(F)cc3)sc2c1 ZINC000013731318 555603807 /nfs/dbraw/zinc/60/38/07/555603807.db2.gz SEDPIYZFSBAGMI-UHFFFAOYSA-N -1 0 466.519 4.970 50 0 JJAARM CCOc1ccc(-c2nc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C(C)C)cc5)c(=O)c3=4)c(C)o2)cc1 ZINC000010273919 555669399 /nfs/dbraw/zinc/66/93/99/555669399.db2.gz KBPIWMQJPPYNIH-PKTZIBPZSA-N -1 0 473.533 4.666 50 0 JJAARM CCC(NCCC(c1ccccc1)c1ccccc1)=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000020292148 555762005 /nfs/dbraw/zinc/76/20/05/555762005.db2.gz HDYCTHYOSPQWPJ-IZHYLOQSSA-N -1 0 459.590 4.873 50 0 JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCCC(=O)NCCc4ccc(C)cc4)c3=O)c2c1 ZINC000020329142 555775256 /nfs/dbraw/zinc/77/52/56/555775256.db2.gz NITOVCTUELVFLY-UHFFFAOYSA-N -1 0 478.618 4.777 50 0 JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(Cc4ccc(C(=O)N[C@@H]5CCCC[C@H]5C)cc4)c3=O)c2c1 ZINC000020331212 555776192 /nfs/dbraw/zinc/77/61/92/555776192.db2.gz IFFGDXNPKRACRW-FOIQADDNSA-N -1 0 476.602 4.906 50 0 JJAARM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc4ccccc4o3)ccc2OC)cc1 ZINC000014361432 555799697 /nfs/dbraw/zinc/79/96/97/555799697.db2.gz INIYZIXUGNECDZ-UHFFFAOYSA-N -1 0 466.515 4.893 50 0 JJAARM CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2CC ZINC000011691631 555800562 /nfs/dbraw/zinc/80/05/62/555800562.db2.gz VWPNQLWWSOEHRB-UHFFFAOYSA-N -1 0 452.532 4.514 50 0 JJAARM O=C(/C=C/c1cccc(Cl)c1)Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1 ZINC000020534075 555805844 /nfs/dbraw/zinc/80/58/44/555805844.db2.gz JATPBHUXZQOLST-MDWZMJQESA-N -1 0 464.934 4.736 50 0 JJAARM 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4.694 50 0 JJAARM CCC(=O)Nc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2cccc(Cl)c2C)[n-]c1=O ZINC000035377988 569685585 /nfs/dbraw/zinc/68/55/85/569685585.db2.gz HEPJZOOCFPMVQN-ZDUSSCGKSA-N -1 0 471.970 4.674 50 0 JJAARM Cc1nc2cccnc2n1C1CCN(c2ccc(NC(=O)c3ccc(F)cc3)cc2C(=O)[O-])CC1 ZINC000035451197 569696745 /nfs/dbraw/zinc/69/67/45/569696745.db2.gz BDILJIUPYGYNOW-UHFFFAOYSA-N -1 0 473.508 4.671 50 0 JJAARM Cc1nc2cccnc2n1C1CCN(c2ccc(NC(=O)c3cccc(C)c3)cc2C(=O)[O-])CC1 ZINC000035451211 569696753 /nfs/dbraw/zinc/69/67/53/569696753.db2.gz NYSYTDCJQCQMRP-UHFFFAOYSA-N -1 0 469.545 4.840 50 0 JJAARM Cc1nn(C)c(C)c1CCCN(C)c1ccc(NC(=O)c2ccc(Br)cc2)cc1C(=O)[O-] ZINC000035510985 569698215 /nfs/dbraw/zinc/69/82/15/569698215.db2.gz DXZLCZJMQPHAQA-UHFFFAOYSA-N -1 0 499.409 4.819 50 0 JJAARM CC(C)Cn1c(Cc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000072191563 569700013 /nfs/dbraw/zinc/70/00/13/569700013.db2.gz BWKGZDHHQPPYEG-UHFFFAOYSA-N -1 0 458.971 4.607 50 0 JJAARM O=S(=O)([N-]c1ccc(Br)cc1F)c1cc(-c2noc(C3CCC3)n2)cs1 ZINC000035557170 569703328 /nfs/dbraw/zinc/70/33/28/569703328.db2.gz QZEUQKAQNCBCTN-UHFFFAOYSA-N -1 0 458.334 4.768 50 0 JJAARM CCn1c2ccccc2c2cc([C@@H]3NC(=O)N[C@@](O)(C(F)(F)F)C3=C([O-])c3cccs3)ccc21 ZINC000035569253 569704946 /nfs/dbraw/zinc/70/49/46/569704946.db2.gz ADTTWUFQVCWSED-QTEQDKRBSA-N -1 0 487.503 4.980 50 0 JJAARM CCCc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=C1NC(=O)N(Cc2cccc(Cl)c2)C1=O ZINC000035829474 569712883 /nfs/dbraw/zinc/71/28/83/569712883.db2.gz XBUBDMKSEDVCCO-NDENLUEZSA-N -1 0 471.344 4.930 50 0 JJAARM CC(C)(C)OC(=O)NCCCC[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000086043758 569716841 /nfs/dbraw/zinc/71/68/41/569716841.db2.gz POWAEQBWJKWXPK-GOSISDBHSA-N -1 0 482.577 4.921 50 0 JJAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccccc2N2CCOCC2)c1C ZINC000089570217 569718982 /nfs/dbraw/zinc/71/89/82/569718982.db2.gz GMIOYNWCYHYGJE-UHFFFAOYSA-N -1 0 493.629 4.810 50 0 JJAARM [O-]c1c([C@H](c2ccccc2)N2CCN(Cc3ccccc3)CC2)sc2nc(-c3ccco3)nn12 ZINC000090485765 569720969 /nfs/dbraw/zinc/72/09/69/569720969.db2.gz YIKZSFCPSUDWTD-QFIPXVFZSA-N -1 0 471.586 4.664 50 0 JJAARM COc1cc(OC)c([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccccc5)oc4c32)cc1OC ZINC000096114047 569733115 /nfs/dbraw/zinc/73/31/15/569733115.db2.gz PAFDTEPYORNILQ-INIZCTEOSA-N -1 0 474.465 4.632 50 0 biogenic JJAARM Cc1cccc2cc([C@@H]3CC(=O)Oc4cc([O-])c5c(=O)cc(-c6ccccc6)oc5c43)c(=O)[nH]c12 ZINC000096115430 569734419 /nfs/dbraw/zinc/73/44/19/569734419.db2.gz CUBQHZDITWMCEI-KRWDZBQOSA-N -1 0 465.461 4.757 50 0 biogenic JJAARM COC(=O)C[C@H](c1cc2cc(C)ccc2[nH]c1=O)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096221583 569739155 /nfs/dbraw/zinc/73/91/55/569739155.db2.gz XKJUFEIBFNNELP-HXUWFJFHSA-N -1 0 497.503 4.716 50 0 biogenic JJAARM O=C1C(=N[N-]c2c(Cl)cc([N+](=O)[O-])cc2Cl)C(=O)N(c2ccccc2)N1c1ccccc1 ZINC000096562234 569741034 /nfs/dbraw/zinc/74/10/34/569741034.db2.gz WQYOWIAJOPFHIE-UHFFFAOYSA-N -1 0 470.272 4.665 50 0 JJAARM O=C([O-])c1nn2c(nc(-c3cc(Br)cs3)cc2C(F)(F)F)c1Br ZINC000096581607 569741790 /nfs/dbraw/zinc/74/17/90/569741790.db2.gz VZYREECYEPXUKN-UHFFFAOYSA-N -1 0 471.052 4.700 50 0 JJAARM CC(=O)c1ccc(NC(=O)C(=O)C(=C([O-])c2ccc3ccccc3c2)[C@H]2OC(=O)c3ccccc32)cc1 ZINC000100721817 569767738 /nfs/dbraw/zinc/76/77/38/569767738.db2.gz LDIQKLGDYAMPSG-LSYYVWMOSA-N -1 0 491.499 4.961 50 0 JJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@]2(CC(=O)N3)c3cc(C(C)C)ccc3N(C)C2=O)cc1 ZINC000036353298 569771517 /nfs/dbraw/zinc/77/15/17/569771517.db2.gz UMBHGIOCPSECHG-AREMUKBSSA-N -1 0 476.554 4.850 50 0 JJAARM Cc1cccc2c1N(C)C(=O)[C@@]21CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccccc1Cl ZINC000036365603 569772876 /nfs/dbraw/zinc/77/28/76/569772876.db2.gz CPZMTYGXMWFRGJ-QHCPKHFHSA-N -1 0 452.919 4.680 50 0 JJAARM Cc1ccc(N2N=C(C(=O)c3ccccc3)C3=C([O-])N(c4cccc(Cl)c4C)C(=O)[C@@H]32)cc1 ZINC000100893403 569774475 /nfs/dbraw/zinc/77/44/75/569774475.db2.gz QKUJSRDZUJTHIE-FYYLOGMGSA-N -1 0 457.917 4.574 50 0 JJAARM COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(F)c4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000100948531 569777581 /nfs/dbraw/zinc/77/75/81/569777581.db2.gz PCGMEDOSPGFPJK-VSKRKVRLSA-N -1 0 452.869 4.539 50 0 JJAARM O=c1[nH]c([O-])c(C2=Nc3ccccc3S[C@@H](c3cccc(O)c3)C2)c(=O)n1-c1cccc(Cl)c1 ZINC000101494873 569800006 /nfs/dbraw/zinc/80/00/06/569800006.db2.gz ZKKMQUNYQZNBLP-OAQYLSRUSA-N -1 0 491.956 4.948 50 0 JJAARM CN(C)c1ccc([C@@H]2CC(c3c([O-])n(C)c(=S)n(C)c3=O)=Nc3ccccc3S2)cc1 ZINC000101495230 569800292 /nfs/dbraw/zinc/80/02/92/569800292.db2.gz XNBOJZDULNYVBL-IBGZPJMESA-N -1 0 452.605 4.583 50 0 JJAARM COc1ccccc1-n1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@H](c3sccc3C)C2)c1=O ZINC000101495401 569800344 /nfs/dbraw/zinc/80/03/44/569800344.db2.gz KUAAUCQNGAZTNJ-FQEVSTJZSA-N -1 0 491.594 4.968 50 0 JJAARM COc1cc([C@H]2CC(c3c([O-])[nH]c(=S)n(C)c3=O)=Nc3ccccc3S2)cc(OC)c1OC ZINC000101495663 569800767 /nfs/dbraw/zinc/80/07/67/569800767.db2.gz QIXZGPJFQBESRB-GOSISDBHSA-N -1 0 485.587 4.532 50 0 JJAARM 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ZINC000046141391 518446495 /nfs/dbraw/zinc/44/64/95/518446495.db2.gz MEXUDONUCUFIFT-UHFFFAOYSA-N -1 0 457.508 4.916 50 0 JJAARM CC(=O)c1cccc([N-]S(=O)(=O)c2c3oc(C(=O)N4CCCCC4)c(C)c3cc(C)c2C)c1 ZINC000065010657 518446510 /nfs/dbraw/zinc/44/65/10/518446510.db2.gz KSVIJIJRZYLEDY-UHFFFAOYSA-N -1 0 468.575 4.988 50 0 JJAARM CC(C)(C)OC(=O)CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000043463361 518781399 /nfs/dbraw/zinc/78/13/99/518781399.db2.gz IAWSYDYLILBRJM-QFIPXVFZSA-N -1 0 453.535 4.880 50 0 JJAARM CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)s1 ZINC000033306457 519702232 /nfs/dbraw/zinc/70/22/32/519702232.db2.gz MJKFKXVDKGPABM-QPJJXVBHSA-N -1 0 455.920 4.767 50 0 JJAARM CC(=O)Nc1ccc(C)cc1-c1nnc(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)[n-]c1=O ZINC000021882665 519713175 /nfs/dbraw/zinc/71/31/75/519713175.db2.gz CEYNTWJQIZTDPN-INIZCTEOSA-N -1 0 465.579 4.556 50 0 JJAARM CC(=O)Nc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C2(C(=O)NC3CCCCCC3)CC2)cc1 ZINC000033115400 519714441 /nfs/dbraw/zinc/71/44/41/519714441.db2.gz PGQBYBRKSMTXKZ-UHFFFAOYSA-N -1 0 483.634 4.625 50 0 JJAARM CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)cc1 ZINC000022713710 519725265 /nfs/dbraw/zinc/72/52/65/519725265.db2.gz GLUICSSEWHAINV-HNNXBMFYSA-N -1 0 477.542 4.715 50 0 JJAARM CCCC(=O)Nc1ccc2nc(N3CCN(c4ccc(Cl)cc4)CC3)cc(C(=O)[O-])c2c1 ZINC000033260604 519878890 /nfs/dbraw/zinc/87/88/90/519878890.db2.gz LBUMOYIRTNSREJ-UHFFFAOYSA-N -1 0 452.942 4.652 50 0 JJAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@@H](C)C(=O)Nc2ccccc2Cl)[n-]c1=O ZINC000021882712 521204438 /nfs/dbraw/zinc/20/44/38/521204438.db2.gz YDUGFARZRQWRRT-ZDUSSCGKSA-N -1 0 471.970 4.674 50 0 JJAARM CCOc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000022627113 521230671 /nfs/dbraw/zinc/23/06/71/521230671.db2.gz GFGFOJPIKLCDGT-NRFANRHFSA-N -1 0 484.025 4.769 50 0 JJAARM CCc1cccc([N-]S(=O)(=O)c2ccc(/C=C/c3onc(C)c3NC(=O)C3CC3)s2)c1 ZINC000033306645 521772465 /nfs/dbraw/zinc/77/24/65/521772465.db2.gz DQZAXJXQITYHBW-PKNBQFBNSA-N -1 0 457.577 4.927 50 0 JJAARM COC(=O)c1cc2nc(Cc3ccccc3)oc2c([N-]S(=O)(=O)c2cc(C)sc2C)c1 ZINC000012445320 521924023 /nfs/dbraw/zinc/92/40/23/521924023.db2.gz PTIRMUCRYFDVCJ-UHFFFAOYSA-N -1 0 456.545 4.684 50 0 JJAARM COC(=O)c1ccc(CSc2nnc(-c3cc(C)ccc3NC(=O)c3ccccc3)c(=O)[n-]2)cc1 ZINC000021882757 522051236 /nfs/dbraw/zinc/05/12/36/522051236.db2.gz ZFLAIMNNGUOPKH-UHFFFAOYSA-N -1 0 486.553 4.884 50 0 JJAARM COC(=O)c1ccc([N-]S(=O)(=O)c2c3oc(C(=O)N4CCCCCC4)c(C)c3cc(C)c2C)cc1 ZINC000065011024 522130237 /nfs/dbraw/zinc/13/02/37/522130237.db2.gz CTEQZWZNCXGACU-UHFFFAOYSA-N -1 0 498.601 4.962 50 0 JJAARM CCc1nc2sc([C@H](c3ccccc3Cl)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000022854881 522538520 /nfs/dbraw/zinc/53/85/20/522538520.db2.gz ZYHBBLHXSBAPNM-FQEVSTJZSA-N -1 0 471.989 4.763 50 0 JJAARM COc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)cc(OC)c1OC ZINC000012418684 522923964 /nfs/dbraw/zinc/92/39/64/522923964.db2.gz CZFQGBGVUXAERI-AWEZNQCLSA-N -1 0 457.479 4.752 50 0 JJAARM CC[C@H](Sc1nnc(-c2cc(C)ccc2NC(C)=O)c(=O)[n-]1)C(=O)Nc1cccc(Cl)c1 ZINC000021882651 522926416 /nfs/dbraw/zinc/92/64/16/522926416.db2.gz OLSKAZDTAHKIFI-SFHVURJKSA-N -1 0 471.970 4.674 50 0 JJAARM COc1ccc(-c2cc(C(=O)[N-]c3nnc(SCc4ccccc4F)s3)no2)cc1OC ZINC000046086998 523100352 /nfs/dbraw/zinc/10/03/52/523100352.db2.gz SSJAUGCSIOYEDQ-UHFFFAOYSA-N -1 0 472.523 4.894 50 0 JJAARM COc1ccc(-c2cnn3c2nc(C)cc3C)cc1S(=O)(=O)[N-]c1ccccc1OC(F)(F)F ZINC000033171431 523154779 /nfs/dbraw/zinc/15/47/79/523154779.db2.gz VSHLFWMGSGKMPN-UHFFFAOYSA-N -1 0 492.479 4.721 50 0 JJAARM COc1ccc(-c2cnn3c2nc(C)cc3C)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C ZINC000033171398 523154879 /nfs/dbraw/zinc/15/48/79/523154879.db2.gz HLHUZUHGRLTCLM-UHFFFAOYSA-N -1 0 456.955 4.784 50 0 JJAARM COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C ZINC000033170624 523438927 /nfs/dbraw/zinc/43/89/27/523438927.db2.gz WNNRMSFANOXEJP-YFHOEESVSA-N -1 0 475.954 4.883 50 0 JJAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(/C=C\c2onc(C)c2NC(=O)C2CC2)cc1 ZINC000033171155 523844004 /nfs/dbraw/zinc/84/40/04/523844004.db2.gz ZXDZGZTVEWXSSD-QPEQYQDCSA-N -1 0 467.547 4.620 50 0 JJAARM COc1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1 ZINC000006146561 523971731 /nfs/dbraw/zinc/97/17/31/523971731.db2.gz DWVJDXCQHKZWLQ-UHFFFAOYSA-N -1 0 466.603 4.702 50 0 JJAARM Cc1ccc(C)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC000002435080 524163181 /nfs/dbraw/zinc/16/31/81/524163181.db2.gz APXCOMHDTKWVRH-UHFFFAOYSA-N -1 0 462.560 4.796 50 0 JJAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2cc(C(F)(F)F)[nH]n2)sc1C ZINC000033299314 524245262 /nfs/dbraw/zinc/24/52/62/524245262.db2.gz BLKLGVKVQFHREM-UHFFFAOYSA-N -1 0 451.879 4.928 50 0 JJAARM Cc1cc(C)c(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[n-]2)c(C)c1 ZINC000008604714 524291149 /nfs/dbraw/zinc/29/11/49/524291149.db2.gz GSJGBAIGBYQOSO-UHFFFAOYSA-N -1 0 499.658 4.556 50 0 JJAARM COc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000015913618 524502777 /nfs/dbraw/zinc/50/27/77/524502777.db2.gz PPECKZYPMUFNGP-UHFFFAOYSA-N -1 0 481.357 4.820 50 0 JJAARM Cc1cccc(N2CCN(c3cc(C(=O)[O-])c4cc(NC(=O)c5ccccc5)ccc4n3)CC2)c1 ZINC000033260813 524560569 /nfs/dbraw/zinc/56/05/69/524560569.db2.gz HJXXJTKGHWBVBE-UHFFFAOYSA-N -1 0 466.541 4.820 50 0 JJAARM Cc1cccc(N2CCN(c3ccc(NS(=O)(=O)c4cccc(C)c4)cc3C(=O)[O-])C[C@@H]2C)c1 ZINC000033253547 524561125 /nfs/dbraw/zinc/56/11/25/524561125.db2.gz KFQUVHSGRHFVEI-FQEVSTJZSA-N -1 0 479.602 4.518 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1c2oc(C(=O)N3CCCCC3)c(C)c2cc(C)c1C ZINC000065010722 524641095 /nfs/dbraw/zinc/64/10/95/524641095.db2.gz XPGYDPCFVJMENX-UHFFFAOYSA-N -1 0 456.564 4.794 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccccc4)no3)sc2C)c(OC)c1 ZINC000046141250 524686964 /nfs/dbraw/zinc/68/69/64/524686964.db2.gz LIIAXQHBFVGMHX-UHFFFAOYSA-N -1 0 457.533 4.592 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccc(F)cc4)no3)sc2C)c(OC)c1 ZINC000046141361 524687112 /nfs/dbraw/zinc/68/71/12/524687112.db2.gz IQIQCDMPLZYCSH-UHFFFAOYSA-N -1 0 475.523 4.731 50 0 JJAARM Cc1cccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCN(Cc3ccccc3)CC2)c1 ZINC000022795386 524841270 /nfs/dbraw/zinc/84/12/70/524841270.db2.gz CBHWZMMGUDSOQS-QHCPKHFHSA-N -1 0 485.613 4.972 50 0 JJAARM COc1ccc(OC)c(NC(=O)c2cc3ccc(OC)cc3o/c2=N\c2ccc(C(=O)[O-])cc2)c1 ZINC000004471768 524865825 /nfs/dbraw/zinc/86/58/25/524865825.db2.gz YNZYZVXFDTWBPH-RFBIWTDZSA-N -1 0 474.469 4.642 50 0 JJAARM COc1ccc(OC)c([N-]S(=O)(=O)c2c(C)sc(C)c2-c2cc(C(F)(F)F)on2)c1 ZINC000033299357 524869872 /nfs/dbraw/zinc/86/98/72/524869872.db2.gz FUWPFEVLMNOQCO-UHFFFAOYSA-N -1 0 462.471 4.857 50 0 JJAARM Cc1ccccc1C(=O)Nc1ccc2nc(N3CCN(Cc4ccccc4F)CC3)cc(C(=O)[O-])c2c1 ZINC000033260657 525064380 /nfs/dbraw/zinc/06/43/80/525064380.db2.gz AGTHNDGRGBOWET-UHFFFAOYSA-N -1 0 498.558 4.955 50 0 JJAARM Cc1ccccc1C1=CCN(c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C(=O)[O-])CC1 ZINC000033253702 525085692 /nfs/dbraw/zinc/08/56/92/525085692.db2.gz BXDOBDKXJWPCGV-UHFFFAOYSA-N -1 0 466.534 4.927 50 0 JJAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)nc(C)n1 ZINC000006102129 525286970 /nfs/dbraw/zinc/28/69/70/525286970.db2.gz YIOQDHREZSVXNY-ONNFQVAWSA-N -1 0 477.373 4.853 50 0 JJAARM Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4cccc(C)c4)[C@@H](C)C3)c(C(=O)[O-])c2)cc1 ZINC000033253539 525605630 /nfs/dbraw/zinc/60/56/30/525605630.db2.gz VHOUPTMMDUUIAW-FQEVSTJZSA-N -1 0 479.602 4.518 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCSc2ccc(Cl)cc2)cc1 ZINC000016426206 525615643 /nfs/dbraw/zinc/61/56/43/525615643.db2.gz GNEOWZSVQMQVGT-UHFFFAOYSA-N -1 0 461.008 4.971 50 0 JJAARM COc1ccc2cc([C@H]3CC(c4cccc(C)c4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc2c1 ZINC000089669214 525639827 /nfs/dbraw/zinc/63/98/27/525639827.db2.gz FCFAJWFPFFAMAK-OAQYLSRUSA-N -1 0 451.910 4.748 50 0 JJAARM Cc1ccc(Sc2cc3c(cc2[N-]S(=O)(=O)c2cc(F)ccc2C)n(C)c(=O)n3C)cc1 ZINC000045941221 525669756 /nfs/dbraw/zinc/66/97/56/525669756.db2.gz OZYZTFXZUBNIPI-UHFFFAOYSA-N -1 0 471.579 4.585 50 0 JJAARM COc1cccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(Br)cc3)n2)c1OC ZINC000020492137 525706302 /nfs/dbraw/zinc/70/63/02/525706302.db2.gz URUXMGOCYMHXRF-UHFFFAOYSA-N -1 0 454.280 4.770 50 0 JJAARM Cc1ccnc(O[C@@H](C(=O)[O-])[C@@](OCc2ccccc2)(c2ccccc2)c2ccc(F)cc2)n1 ZINC000009299694 525706975 /nfs/dbraw/zinc/70/69/75/525706975.db2.gz LUSJITYJAUIVPI-RPLLCQBOSA-N -1 0 458.489 4.917 50 0 JJAARM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc2c(cc1Sc1ccccc1)n(C)c(=O)n2C ZINC000045941163 525785273 /nfs/dbraw/zinc/78/52/73/525785273.db2.gz UOMKTLLNFDMKQA-UHFFFAOYSA-N -1 0 474.007 4.791 50 0 JJAARM Cc1csc(-c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cn2CC(=O)N2CCCCC2)n1 ZINC000033307667 526300526 /nfs/dbraw/zinc/30/05/26/526300526.db2.gz HUQSHUQEBFPODI-UHFFFAOYSA-N -1 0 493.054 4.695 50 0 JJAARM [O-]c1c([C@@H](c2ccccc2F)N2CCN(Cc3ccccc3)CC2)sc2nc(-c3ccco3)nn12 ZINC000022795352 526330575 /nfs/dbraw/zinc/33/05/75/526330575.db2.gz ABDTTWFBMWZJLU-JOCHJYFZSA-N -1 0 489.576 4.803 50 0 JJAARM [O-]c1c([C@H](c2ccccc2)N2CCN(c3ccccc3)CC2)sc2nc(-c3ccco3)nn12 ZINC000022851791 526333073 /nfs/dbraw/zinc/33/30/73/526333073.db2.gz WQVTVDBCJBDWAU-NRFANRHFSA-N -1 0 457.559 4.668 50 0 JJAARM [O-]c1c([C@H](c2ccc(F)cc2)N2CCN(c3ccc(F)cc3)CC2)sc2nc(-c3ccco3)nn12 ZINC000022852259 526333104 /nfs/dbraw/zinc/33/31/04/526333104.db2.gz MEQNKPHAYWBJIS-NRFANRHFSA-N -1 0 493.539 4.946 50 0 JJAARM O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)c(F)c2)ccc1N1CCC(Cc2ccccc2)CC1 ZINC000033253348 526353121 /nfs/dbraw/zinc/35/31/21/526353121.db2.gz QFJHDUIXNXICAY-UHFFFAOYSA-N -1 0 486.540 4.923 50 0 JJAARM Cc1noc(/C=C/c2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)s2)c1NC(=O)C1CC1 ZINC000033306658 526460432 /nfs/dbraw/zinc/46/04/32/526460432.db2.gz PZAMUXZNXRMVQQ-VMPITWQZSA-N -1 0 465.503 4.642 50 0 JJAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(F)c3)c(C)n2C)sc1C(=O)N1CCC(C)CC1 ZINC000065036180 526561827 /nfs/dbraw/zinc/56/18/27/526561827.db2.gz YUYNMUSUPQLFQJ-UHFFFAOYSA-N -1 0 490.626 4.577 50 0 JJAARM Cc1oc2c(cc3c(C)c(CC(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)oc3c2C)c1-c1ccccc1 ZINC000002112804 526780044 /nfs/dbraw/zinc/78/00/44/526780044.db2.gz LJAYUQZTQWLPCR-QHCPKHFHSA-N -1 0 461.514 4.899 50 0 biogenic JJAARM O=C(NC(=S)Nc1ccccc1[N-]S(=O)(=O)c1cccs1)c1ccc(Cl)cc1Cl ZINC000006147098 527462565 /nfs/dbraw/zinc/46/25/65/527462565.db2.gz QNWGBMBBWOKNBJ-UHFFFAOYSA-N -1 0 486.427 4.983 50 0 JJAARM O=C([N-]c1nnc(SCc2ccccc2)s1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000011915976 527536367 /nfs/dbraw/zinc/53/63/67/527536367.db2.gz WOIFYDUKGFLFEI-UHFFFAOYSA-N -1 0 452.517 4.509 50 0 JJAARM O=C([O-])CCCCCC[C@@H]1[C@@H](CC[C@@H](O)CCc2cccc(C(F)(F)F)c2)[C@H](O)C[C@@H]1O ZINC000029327528 527578623 /nfs/dbraw/zinc/57/86/23/527578623.db2.gz DSVAWVBHUBDAPY-AHJNKEMKSA-N -1 0 460.533 4.562 50 0 in-vitro JJAARM Cc1ccc2c(c1)sc(C(=O)Nc1ccc(S(=O)(=O)[N-]c3ncccn3)cc1)c2Cl ZINC000000651606 553732920 /nfs/dbraw/zinc/73/29/20/553732920.db2.gz YGCNNIVBUMCKKS-UHFFFAOYSA-N -1 0 458.952 4.706 50 0 JJAARM Cc1cc(=O)oc2c3c(ccc12)OC(=O)/C3=C\c1cc(Br)cc(Br)c1[O-] ZINC000000709772 553765942 /nfs/dbraw/zinc/76/59/42/553765942.db2.gz VQLCEOCONHFICM-SDQBBNPISA-N -1 0 478.092 4.792 50 0 JJAARM CSc1nnc2c(n1)O[C@@H](c1cc(Br)c([O-])c(Br)c1)Nc1ccccc1-2 ZINC000000822098 553786703 /nfs/dbraw/zinc/78/67/03/553786703.db2.gz ULTNWGABTGMDHB-HNNXBMFYSA-N -1 0 496.184 4.994 50 0 JJAARM CSc1nnc2c(n1)O[C@@H](c1c(C)[n-]n(-c3ccccc3)c1=O)Nc1ccc(Br)cc1-2 ZINC000001168881 553921863 /nfs/dbraw/zinc/92/18/63/553921863.db2.gz AWFAFBONCFUMSV-SFHVURJKSA-N -1 0 497.378 4.726 50 0 JJAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1)oc1c3CCCC1 ZINC000002102483 554043236 /nfs/dbraw/zinc/04/32/36/554043236.db2.gz XIOIDOAWNZVQQW-UHFFFAOYSA-N -1 0 499.563 4.914 50 0 biogenic JJAARM Cc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)[O-])C(=O)N32)c1 ZINC000002114652 554052878 /nfs/dbraw/zinc/05/28/78/554052878.db2.gz ICEJIDFPILKNOG-LADGPHEKSA-N -1 0 451.482 4.657 50 0 biogenic JJAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@H](C(=O)[O-])C(C)C)occ3-c1ccc(Cl)cc1 ZINC000002117990 554054247 /nfs/dbraw/zinc/05/42/47/554054247.db2.gz RHROJGOKWVLGAC-QHCPKHFHSA-N -1 0 467.905 4.936 50 0 biogenic JJAARM CC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(Cl)cc1)C(=O)[O-] ZINC000002126107 554058269 /nfs/dbraw/zinc/05/82/69/554058269.db2.gz RMSFDLVYMHEGCM-LJQANCHMSA-N -1 0 453.878 4.690 50 0 biogenic JJAARM CSC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(Cl)cc1)C(=O)[O-] ZINC000002125754 554058295 /nfs/dbraw/zinc/05/82/95/554058295.db2.gz YUSSFIDCSIUNBL-IBGZPJMESA-N -1 0 485.945 4.643 50 0 biogenic JJAARM O=C(Cn1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c2ccccc21)NC1CCCC1 ZINC000002126759 554058518 /nfs/dbraw/zinc/05/85/18/554058518.db2.gz DNFDAAGFNPFZJS-FYJGNVAPSA-N -1 0 490.560 4.511 50 0 JJAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N1CCC(C(=O)[O-])CC1)occ3-c1ccccc1 ZINC000002155506 554072201 /nfs/dbraw/zinc/07/22/01/554072201.db2.gz SGETWBJOLNRLSH-UHFFFAOYSA-N -1 0 459.498 4.770 50 0 biogenic JJAARM COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(Cl)c2)c(OC)c1 ZINC000002235208 554107216 /nfs/dbraw/zinc/10/72/16/554107216.db2.gz APSJYJLCNXUMOE-UHFFFAOYSA-N -1 0 470.938 4.845 50 0 JJAARM CCCCCCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(c4ccc(F)cc4)CC3)cc21 ZINC000002271587 554127227 /nfs/dbraw/zinc/12/72/27/554127227.db2.gz AVTQJMPHBCCFGO-UHFFFAOYSA-N -1 0 469.532 4.885 50 0 JJAARM COc1ccc(CSC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1 ZINC000002539223 554233558 /nfs/dbraw/zinc/23/35/58/554233558.db2.gz IWZGYHFOLFRYPK-DEOSSOPVSA-N -1 0 463.555 4.920 50 0 JJAARM Cc1nn(Cc2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)c(C)c1Br ZINC000002731258 554315529 /nfs/dbraw/zinc/31/55/29/554315529.db2.gz KVFIPNZREBXLHY-UHFFFAOYSA-N -1 0 478.807 4.804 50 0 JJAARM Cc1nn(CCc2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)cc1Br ZINC000002732200 554316433 /nfs/dbraw/zinc/31/64/33/554316433.db2.gz HUQUOONXQUJMDK-UHFFFAOYSA-N -1 0 478.807 4.690 50 0 JJAARM O=C(C1CCC(Cn2c(=O)c3ccccc3[n-]c2=S)CC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000002975981 554415785 /nfs/dbraw/zinc/41/57/85/554415785.db2.gz MHYSWCYODHVLOK-UHFFFAOYSA-N -1 0 497.064 4.868 50 0 JJAARM COc1ccccc1NC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1cccc(Br)c1)c2=O ZINC000003632173 554468952 /nfs/dbraw/zinc/46/89/52/554468952.db2.gz ZOIWTWMINOJLBW-UHFFFAOYSA-N -1 0 496.386 4.757 50 0 JJAARM COc1ccc(Cn2c(=O)c3ccc(C(=O)Nc4ccc(F)c(Cl)c4)cc3[n-]c2=S)cc1 ZINC000003632299 554469054 /nfs/dbraw/zinc/46/90/54/554469054.db2.gz NMHNTYBQZVHLEA-UHFFFAOYSA-N -1 0 469.925 4.787 50 0 JJAARM C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1)C(=O)Nc1ccc(F)cc1 ZINC000006093632 554505023 /nfs/dbraw/zinc/50/50/23/554505023.db2.gz DYFDSFJKIMVSAG-GFCCVEGCSA-N -1 0 482.942 4.525 50 0 JJAARM CCOc1cc(C=NNc2cccc(C(F)(F)F)c2)cc(Br)c1OCC(=O)[O-] ZINC000008398510 554573303 /nfs/dbraw/zinc/57/33/03/554573303.db2.gz KLXJZTSRSXDCMU-UHFFFAOYSA-N -1 0 461.234 4.776 50 0 JJAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)s1 ZINC000008400534 554575738 /nfs/dbraw/zinc/57/57/38/554575738.db2.gz ILPVOOAZLBBOBZ-UHFFFAOYSA-N -1 0 478.599 4.672 50 0 JJAARM C[C@@H](c1ccccc1)N1C(=O)c2ccc(C(=O)Nc3ccc(Br)cc3C(=O)[O-])cc2C1=O ZINC000008417703 554579177 /nfs/dbraw/zinc/57/91/77/554579177.db2.gz WBQXQPVNRFHHAS-ZDUSSCGKSA-N -1 0 493.313 4.757 50 0 JJAARM O=C([O-])c1cc(-c2ccc(Br)cc2)nc2ccc(I)cc21 ZINC000008443064 554592670 /nfs/dbraw/zinc/59/26/70/554592670.db2.gz CLZXCWTYHJAVPT-UHFFFAOYSA-N -1 0 454.061 4.967 50 0 JJAARM COC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000008444454 554593969 /nfs/dbraw/zinc/59/39/69/554593969.db2.gz SREUXJMFLPMDPL-KGLIPLIRSA-N -1 0 466.353 4.794 50 0 JJAARM O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cc(Br)ccc2OCc2ccccn2)[NH2+]1 ZINC000008740407 554642645 /nfs/dbraw/zinc/64/26/45/554642645.db2.gz CGBMNTFDANGFBQ-NZQKXSOJSA-N -1 0 478.346 4.593 50 0 biogenic JJAARM O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2cc(Br)ccc2OCc2ccccn2)[NH2+]1 ZINC000008740408 554642655 /nfs/dbraw/zinc/64/26/55/554642655.db2.gz CGBMNTFDANGFBQ-OFNKIYASSA-N -1 0 478.346 4.593 50 0 biogenic JJAARM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(CC)c2ccccc2O3)c1 ZINC000008961166 554837672 /nfs/dbraw/zinc/83/76/72/554837672.db2.gz LNCZEVQLOGDBCC-UHFFFAOYSA-N -1 0 452.532 4.831 50 0 JJAARM COc1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(Nc3cccc(NC(C)=O)c3)nc2c1 ZINC000009089762 554890641 /nfs/dbraw/zinc/89/06/41/554890641.db2.gz AYAYKAAOUJLLTO-UHFFFAOYSA-N -1 0 497.964 4.795 50 0 JJAARM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CCC(C)C)s1 ZINC000009169434 554952866 /nfs/dbraw/zinc/95/28/66/554952866.db2.gz KFXZGYZVHCOCFE-UHFFFAOYSA-N -1 0 450.626 4.909 50 0 JJAARM CC(C)CN1c2cc([N-]S(=O)(=O)c3ccccc3Br)ccc2OCC(C)(C)C1=O ZINC000009172471 554954150 /nfs/dbraw/zinc/95/41/50/554954150.db2.gz IJAKRUFJOCWRSF-UHFFFAOYSA-N -1 0 481.412 4.658 50 0 JJAARM COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)c(OC)c2C(=O)[O-])c(OC)c1 ZINC000009216472 554984758 /nfs/dbraw/zinc/98/47/58/554984758.db2.gz ZOAAQRWBSAYBJU-RXFWQSSRSA-N -1 0 490.512 4.662 50 0 JJAARM Cc1nc(COc2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)cc2)cs1 ZINC000009220107 554989089 /nfs/dbraw/zinc/98/90/89/554989089.db2.gz RQEHGNJHRTZYQW-UHFFFAOYSA-N -1 0 486.600 4.540 50 0 JJAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3sccc3-c3ccccc3)cc2)n1 ZINC000009283048 555053638 /nfs/dbraw/zinc/05/36/38/555053638.db2.gz MGHAAXYGXIFZRM-UHFFFAOYSA-N -1 0 464.572 4.875 50 0 JJAARM CCN(CC)c1ccc(NC(=O)Cc2cccs2)cc1S(=O)(=O)[N-]c1ccccc1OC ZINC000009285208 555059235 /nfs/dbraw/zinc/05/92/35/555059235.db2.gz NXAHNDVNUUTVHL-UHFFFAOYSA-N -1 0 473.620 4.585 50 0 JJAARM CCOc1ccc2nc([N-]c3ncc4c(n3)C[C@@H](c3ccc(OC)cc3)CC4=O)nc(C)c2c1 ZINC000009346485 555113302 /nfs/dbraw/zinc/11/33/02/555113302.db2.gz SWADMPWDLKLTQZ-QGZVFWFLSA-N -1 0 455.518 4.792 50 0 JJAARM Cc1cc([O-])c(C2=Nc3c(C(=O)Nc4ccc(Cl)cc4)cnn3[C@@H](c3ccc(O)cc3)C2)c(=O)o1 ZINC000009410013 555175654 /nfs/dbraw/zinc/17/56/54/555175654.db2.gz PSSXIEGULLEJIJ-HXUWFJFHSA-N -1 0 490.903 4.576 50 0 JJAARM CCOc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1OCC ZINC000009462141 555230875 /nfs/dbraw/zinc/23/08/75/555230875.db2.gz GNRZIJQRPJLHSZ-CJLVFECKSA-N -1 0 474.513 4.592 50 0 JJAARM O=C(CCc1ccc(-c2ccccc2)o1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000009516439 555308357 /nfs/dbraw/zinc/30/83/57/555308357.db2.gz WJEWUUVXNPZRFH-UHFFFAOYSA-N -1 0 453.545 4.775 50 0 JJAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(-c2ccc(N3CCC(C)CC3)nn2)c1 ZINC000009529531 555323757 /nfs/dbraw/zinc/32/37/57/555323757.db2.gz VSLJYXRFYAIVQL-UHFFFAOYSA-N -1 0 472.998 4.843 50 0 JJAARM CCCCCCSc1nc([O-])c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c(=O)n1-c1ccccc1 ZINC000013140458 555337443 /nfs/dbraw/zinc/33/74/43/555337443.db2.gz IFKMMKIUQLXHEJ-OAQYLSRUSA-N -1 0 496.585 4.888 50 0 JJAARM CCCCCCSc1nc([O-])c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c(=O)n1-c1ccccc1 ZINC000013140459 555337456 /nfs/dbraw/zinc/33/74/56/555337456.db2.gz IFKMMKIUQLXHEJ-NRFANRHFSA-N -1 0 496.585 4.888 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)CSCc2cccc(C)c2)c1 ZINC000009634888 555341066 /nfs/dbraw/zinc/34/10/66/555341066.db2.gz HRWUKNVZIHIWMT-UHFFFAOYSA-N -1 0 456.589 4.676 50 0 JJAARM COC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)[N-]c1cc(C)c(Cl)cc1OC ZINC000009645770 555358510 /nfs/dbraw/zinc/35/85/10/555358510.db2.gz IWKIDQISVMXPHK-UHFFFAOYSA-N -1 0 451.953 4.973 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(NC(=O)NCc4ccc(F)cc4)ccc3s2)cc1 ZINC000013347600 555377923 /nfs/dbraw/zinc/37/79/23/555377923.db2.gz ZSXJLAYYRWWMNG-UHFFFAOYSA-N -1 0 470.551 4.866 50 0 JJAARM COc1cc(NC(=O)Nc2ccc(F)cc2)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000013349565 555379994 /nfs/dbraw/zinc/37/99/94/555379994.db2.gz QBGIBGXGKZLHQE-UHFFFAOYSA-N -1 0 472.523 4.889 50 0 JJAARM O=C([O-])c1ccc(NC(=O)c2ccc(Br)o2)c(NC(=O)c2ccc(Br)o2)c1 ZINC000009668159 555382101 /nfs/dbraw/zinc/38/21/01/555382101.db2.gz ZKKHREOMRMPMIQ-UHFFFAOYSA-N -1 0 498.083 4.600 50 0 JJAARM O=C(Nc1ccc2sc([N-]S(=O)(=O)c3ccccc3)nc2c1)Nc1ccc2c(c1)OCCO2 ZINC000013361402 555387388 /nfs/dbraw/zinc/38/73/88/555387388.db2.gz ZIEQGCJKHONWEP-UHFFFAOYSA-N -1 0 482.543 4.512 50 0 JJAARM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(N(CC)CC)cc3C)s2)on1 ZINC000009688981 555415857 /nfs/dbraw/zinc/41/58/57/555415857.db2.gz OYPPKLULBJVCTJ-UHFFFAOYSA-N -1 0 463.581 4.535 50 0 JJAARM COc1ccc(C)cc1-n1c(SCc2nc(=O)c3sccc3[n-]2)nnc1-c1cccs1 ZINC000009698637 555425691 /nfs/dbraw/zinc/42/56/91/555425691.db2.gz JVWKCWRUHYBQAV-UHFFFAOYSA-N -1 0 467.601 4.903 50 0 JJAARM CCSc1nnc2c(n1)O[C@H](c1ccc(C(=O)[O-])cc1)Nc1ccc(Br)cc1-2 ZINC000009601856 555427534 /nfs/dbraw/zinc/42/75/34/555427534.db2.gz MTEHHLWDNBSDMW-MRXNPFEDSA-N -1 0 459.325 4.614 50 0 JJAARM CCc1nc2sc([C@H](c3cccs3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000009716816 555450735 /nfs/dbraw/zinc/45/07/35/555450735.db2.gz YWLPFFUFTOYOLV-SFHVURJKSA-N -1 0 460.028 4.685 50 0 JJAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccccc1SCc1cccs1 ZINC000009745980 555477751 /nfs/dbraw/zinc/47/77/51/555477751.db2.gz YSBAYBKUEDYEPI-UHFFFAOYSA-N -1 0 482.612 4.884 50 0 JJAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000013579031 555517688 /nfs/dbraw/zinc/51/76/88/555517688.db2.gz XDZYEGZBBYDJHS-UHFFFAOYSA-N -1 0 487.295 4.739 50 0 JJAARM O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1ccc(CO)cc1 ZINC000009824260 555525428 /nfs/dbraw/zinc/52/54/28/555525428.db2.gz YPCCNKRHJGDPSY-UHFFFAOYSA-N -1 0 451.331 4.539 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3ccc(Br)cc3C)cs2)cc1 ZINC000009828599 555526486 /nfs/dbraw/zinc/52/64/86/555526486.db2.gz HNNHAQFVIWVTKP-UHFFFAOYSA-N -1 0 480.409 4.504 50 0 JJAARM O=C(NCCc1c[nH]c2ccccc12)c1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000013734134 555605491 /nfs/dbraw/zinc/60/54/91/555605491.db2.gz HBPIUXIINNALEU-UHFFFAOYSA-N -1 0 476.583 4.551 50 0 JJAARM Cc1ccc(NC(=O)c2cc3cc(Br)cc(Br)c3o/c2=N\[O-])cc1 ZINC000013939947 555649885 /nfs/dbraw/zinc/64/98/85/555649885.db2.gz HWIISLDYIPJLME-FXBPSFAMSA-N -1 0 452.102 4.808 50 0 JJAARM O=C(c1ccc2c(=O)n(Cc3ccccc3Cl)c(=S)[n-]c2c1)N1CCN(c2ccccc2)CC1 ZINC000010274392 555669954 /nfs/dbraw/zinc/66/99/54/555669954.db2.gz KSWOMEVXPIXIMH-UHFFFAOYSA-N -1 0 491.016 4.723 50 0 JJAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cc4ccccc4)cc3)cc2)s1 ZINC000010381866 555701953 /nfs/dbraw/zinc/70/19/53/555701953.db2.gz YTZQTPQBFNWECN-UHFFFAOYSA-N -1 0 478.599 4.744 50 0 JJAARM CC[C@@H](Sc1ncc(S(=O)(=O)c2ccc(C)cc2)c(=O)[n-]1)C(=O)Nc1ccc(C(C)C)cc1 ZINC000010433706 555708109 /nfs/dbraw/zinc/70/81/09/555708109.db2.gz OKNUSPUGVXJDAA-HXUWFJFHSA-N -1 0 485.631 4.544 50 0 JJAARM CCOC(=O)c1c([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)sc2c1CCCC2 ZINC000014186316 555727682 /nfs/dbraw/zinc/72/76/82/555727682.db2.gz KXIOLXRLPUZILX-UHFFFAOYSA-N -1 0 464.392 4.920 50 0 JJAARM O=S(=O)([N-]c1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1ccccc1C(F)(F)F ZINC000020604355 555845209 /nfs/dbraw/zinc/84/52/09/555845209.db2.gz LQZWNFXXVVHUIF-UHFFFAOYSA-N -1 0 462.497 4.954 50 0 JJAARM O=C(NCCc1ccccc1Cl)C1CCC(Cn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000020644490 555846605 /nfs/dbraw/zinc/84/66/05/555846605.db2.gz VMHJOFBMKFRPRD-UHFFFAOYSA-N -1 0 456.011 4.878 50 0 JJAARM O=C([O-])/C=C/c1cc(Br)cc(I)c1OCc1ccccc1 ZINC000022077349 555871858 /nfs/dbraw/zinc/87/18/58/555871858.db2.gz QCOIEHYPKHVYMV-VOTSOKGWSA-N -1 0 459.077 4.731 50 0 JJAARM O=C(CSc1nc(-c2ccccc2)[n-]c1S(=O)(=O)c1ccccc1)Nc1cccc(F)c1 ZINC000012112491 555908803 /nfs/dbraw/zinc/90/88/03/555908803.db2.gz TWXRPMWHRUWDKP-UHFFFAOYSA-N -1 0 467.547 4.779 50 0 JJAARM CC(C)(C)OC(=O)N1CCC[C@H]([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])C1 ZINC000015446407 555909436 /nfs/dbraw/zinc/90/94/36/555909436.db2.gz XENRQNWROSXSPT-SBUREZEXSA-N -1 0 480.561 4.625 50 0 JJAARM COc1ccc(NC(=O)c2sc(-n3[n-]c(C)c(Cc4ccccc4)c3=O)nc2C)c(OC)c1 ZINC000015671506 555928746 /nfs/dbraw/zinc/92/87/46/555928746.db2.gz KDUQVMYDHSPEHY-UHFFFAOYSA-N -1 0 464.547 4.512 50 0 JJAARM O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000015699912 555952374 /nfs/dbraw/zinc/95/23/74/555952374.db2.gz FCKWUVVHXFLHGX-UHFFFAOYSA-N -1 0 456.545 4.843 50 0 JJAARM [O-]c1c([C@@H](c2ccccc2)N2CCN(c3ccccc3)CC2)sc2nc(-c3ccco3)nn12 ZINC000022851792 555958582 /nfs/dbraw/zinc/95/85/82/555958582.db2.gz WQVTVDBCJBDWAU-OAQYLSRUSA-N -1 0 457.559 4.668 50 0 JJAARM [O-]c1c([C@H](c2ccccc2F)N2CCN(c3ccccc3F)CC2)sc2nc(-c3ccco3)nn12 ZINC000022852151 555959253 /nfs/dbraw/zinc/95/92/53/555959253.db2.gz UAEYULALOIHJLS-NRFANRHFSA-N -1 0 493.539 4.946 50 0 JJAARM Cc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022852778 555960196 /nfs/dbraw/zinc/96/01/96/555960196.db2.gz ALVOYYSAXDCYIB-QHCPKHFHSA-N -1 0 461.635 4.835 50 0 JJAARM CCc1nc2sc([C@H](c3ccccc3Cl)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022854691 555961177 /nfs/dbraw/zinc/96/11/77/555961177.db2.gz HECRRTYIHTZJCW-NRFANRHFSA-N -1 0 468.026 4.619 50 0 JJAARM CCc1nc2sc([C@H](c3ccccc3Cl)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000022854813 555961484 /nfs/dbraw/zinc/96/14/84/555961484.db2.gz IDTAVXLFZSGIBS-FQEVSTJZSA-N -1 0 471.989 4.763 50 0 JJAARM CCc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000022854800 555961553 /nfs/dbraw/zinc/96/15/53/555961553.db2.gz WFQQCNMACKGGMD-HXUWFJFHSA-N -1 0 489.979 4.902 50 0 JJAARM CCc1nc2sc([C@H](c3ccc(OC)cc3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000022854791 555961555 /nfs/dbraw/zinc/96/15/55/555961555.db2.gz NXCWDIAMVBSJNW-NRFANRHFSA-N -1 0 484.025 4.632 50 0 JJAARM CC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)[n-]c1=O ZINC000015729185 555969654 /nfs/dbraw/zinc/96/96/54/555969654.db2.gz SOBFGQGJSKOWHC-UHFFFAOYSA-N -1 0 478.361 4.549 50 0 JJAARM CCc1cc2c(cc1S(=O)(=O)[N-]c1ccc(OC)cc1OC)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000015733825 555979418 /nfs/dbraw/zinc/97/94/18/555979418.db2.gz IPHKHGQJNDAVSO-UHFFFAOYSA-N -1 0 456.564 4.703 50 0 JJAARM O=C([O-])c1cccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2Br)c1 ZINC000015768340 555986875 /nfs/dbraw/zinc/98/68/75/555986875.db2.gz OASLBFDKRPJOTG-DEDYPNTBSA-N -1 0 465.303 4.557 50 0 JJAARM O=C(NCCOc1ccc2ccccc2c1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000012536274 556009212 /nfs/dbraw/zinc/00/92/12/556009212.db2.gz QULPKWFEALDRSL-UHFFFAOYSA-N -1 0 452.557 4.511 50 0 JJAARM Cc1nc2sc([C@H](c3cccc(F)c3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000023157414 556025811 /nfs/dbraw/zinc/02/58/11/556025811.db2.gz WBASHAWUKBMZES-IBGZPJMESA-N -1 0 457.962 4.509 50 0 JJAARM CC(=O)c1cccc(NC(=O)CCc2c(C)[n-]n(-c3nc(-c4ccc(F)cc4)cs3)c2=O)c1 ZINC000015858784 556025914 /nfs/dbraw/zinc/02/59/14/556025914.db2.gz USAAMDPVKGMPQY-UHFFFAOYSA-N -1 0 464.522 4.923 50 0 JJAARM CC(=O)c1ccc(NC(=O)CCc2c(C)[n-]n(-c3nc(-c4ccc(F)cc4)cs3)c2=O)cc1 ZINC000015858782 556025920 /nfs/dbraw/zinc/02/59/20/556025920.db2.gz KQYHPOPLLZIAKZ-UHFFFAOYSA-N -1 0 464.522 4.923 50 0 JJAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cc(C2CC2)nc2ccccc21 ZINC000012548380 556026189 /nfs/dbraw/zinc/02/61/89/556026189.db2.gz JFLOFLFWPSBWPH-UHFFFAOYSA-N -1 0 450.545 4.622 50 0 JJAARM CCCCOc1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2cccs2)cc1OC ZINC000023194611 556030588 /nfs/dbraw/zinc/03/05/88/556030588.db2.gz FLBJNELMSISMMM-UHFFFAOYSA-N -1 0 460.577 4.989 50 0 JJAARM COc1ccc(CC(=O)Nc2cc3sc([N-]S(=O)(=O)c4ccc(C)cc4)nc3c(C)c2)cc1 ZINC000015862027 556034400 /nfs/dbraw/zinc/03/44/00/556034400.db2.gz MKKUDIWCTJYMFF-UHFFFAOYSA-N -1 0 481.599 4.904 50 0 JJAARM CC(=O)Nc1ccc(C(=O)Nc2cc3sc([N-]S(=O)(=O)c4ccc(C)cc4)nc3c(C)c2)cc1 ZINC000015862051 556034778 /nfs/dbraw/zinc/03/47/78/556034778.db2.gz IZFWXNIYOMSMSZ-UHFFFAOYSA-N -1 0 494.598 4.925 50 0 JJAARM C[C@@H](Oc1ccccc1)C(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000015862119 556035217 /nfs/dbraw/zinc/03/52/17/556035217.db2.gz BRVHDBQRTXLOGD-OAHLLOKOSA-N -1 0 453.545 4.503 50 0 JJAARM CC[C@@H](C)[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(C)cc1)C(=O)[O-] ZINC000015959201 556090983 /nfs/dbraw/zinc/09/09/83/556090983.db2.gz FCBZIIWSTNEEPY-SGANQWHYSA-N -1 0 461.514 4.981 50 0 JJAARM CSc1ccccc1C(=O)Nc1cc(C)nn1-c1nc2c(cnn2-c2ccc(C)c(C)c2)c(=O)[n-]1 ZINC000017053570 556214131 /nfs/dbraw/zinc/21/41/31/556214131.db2.gz MYIUWWMJRYAURX-UHFFFAOYSA-N -1 0 485.573 4.606 50 0 JJAARM O=C(Nc1ccc(C(F)(F)F)cc1)c1cncc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000017155698 556228575 /nfs/dbraw/zinc/22/85/75/556228575.db2.gz BLIZOHJYLPJEOW-UHFFFAOYSA-N -1 0 455.845 4.807 50 0 JJAARM CC(C)(C)OC(=O)N1CCC(N(CC(=O)[O-])C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000025763273 556232751 /nfs/dbraw/zinc/23/27/51/556232751.db2.gz VDSAYWOINWZBBH-UHFFFAOYSA-N -1 0 480.561 4.722 50 0 JJAARM O=C(c1ccccc1)N1CCCc2cc([N-]S(=O)(=O)c3ccccc3Br)ccc21 ZINC000017178283 556233214 /nfs/dbraw/zinc/23/32/14/556233214.db2.gz REIHFVXHDULAMA-UHFFFAOYSA-N -1 0 471.376 4.843 50 0 JJAARM COc1ccc(CCNc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1OC ZINC000017207012 556240694 /nfs/dbraw/zinc/24/06/94/556240694.db2.gz HHWIAXZKCIPGBF-UHFFFAOYSA-N -1 0 492.601 4.719 50 0 JJAARM CCOc1ccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000017307853 556255722 /nfs/dbraw/zinc/25/57/22/556255722.db2.gz VZISCNHOCGJIRB-UHFFFAOYSA-N -1 0 470.601 4.634 50 0 JJAARM CCOc1ccc(-n2c3nc(SCC(=O)Nc4ccccc4C)[n-]c(=O)c3sc2=S)cc1 ZINC000017315335 556257006 /nfs/dbraw/zinc/25/70/06/556257006.db2.gz VRXUCLKSHINUSC-UHFFFAOYSA-N -1 0 484.628 4.943 50 0 JJAARM CCOc1ccc(-n2c3nc(SCC(=O)Nc4ccc(C)cc4)[n-]c(=O)c3sc2=S)cc1 ZINC000017315327 556257088 /nfs/dbraw/zinc/25/70/88/556257088.db2.gz JSFGBQQLRBBZKO-UHFFFAOYSA-N -1 0 484.628 4.943 50 0 JJAARM Cc1oc2c(cc3c(C)c(CC(=O)N[C@H](Cc4c[nH]c5ccccc45)C(=O)[O-])c(=O)oc3c2C)c1C ZINC000026771811 556261136 /nfs/dbraw/zinc/26/11/36/556261136.db2.gz IUIQGPBESYXUCM-HSZRJFAPSA-N -1 0 486.524 4.609 50 0 JJAARM Cc1coc2cc3oc(=O)c(CCC(=O)N[C@H](CSCc4ccccc4)C(=O)[O-])c(C)c3cc12 ZINC000026771848 556261156 /nfs/dbraw/zinc/26/11/56/556261156.db2.gz PIQYHRSIPFECTR-OAQYLSRUSA-N -1 0 479.554 4.591 50 0 JJAARM O=C([O-])c1ccc(S(=O)(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)cc1 ZINC000013068705 556265062 /nfs/dbraw/zinc/26/50/62/556265062.db2.gz BQOUDJGEXVZTEE-HXUWFJFHSA-N -1 0 454.935 4.630 50 0 JJAARM CC(C)c1ccc(N2CCN(C(=O)c3ccccc3NC(=O)/C=C(\C(=O)[O-])c3ccccc3)CC2)cc1 ZINC000013108929 556306790 /nfs/dbraw/zinc/30/67/90/556306790.db2.gz LAEGGDYRSDRWDT-QOMWVZHYSA-N -1 0 497.595 4.879 50 0 JJAARM Cc1cccc(CSc2nnc([N-]C(=O)c3cc(-c4ccc5c(c4)OCCO5)on3)s2)c1 ZINC000027989841 556311759 /nfs/dbraw/zinc/31/17/59/556311759.db2.gz KWDASGSMZGODEQ-UHFFFAOYSA-N -1 0 466.544 4.817 50 0 JJAARM O=C(Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1F)c1ccc(NC(=O)C2CC2)cc1 ZINC000031651566 556401242 /nfs/dbraw/zinc/40/12/42/556401242.db2.gz ZGIZJXWEARHWGT-UHFFFAOYSA-N -1 0 487.940 4.881 50 0 JJAARM Cc1cc(N2CCN([C@H](C(=O)[O-])c3c[nH]c4ccc(Br)cc43)CC2)nc2ccccc12 ZINC000031807655 556405186 /nfs/dbraw/zinc/40/51/86/556405186.db2.gz BYQRPQUJKUUCPJ-QHCPKHFHSA-N -1 0 479.378 4.735 50 0 JJAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)N2[C@@H](C)CCC[C@@H]2C)c1 ZINC000032833549 556506834 /nfs/dbraw/zinc/50/68/34/556506834.db2.gz OIPCMAMNDMIEED-GJZGRUSLSA-N -1 0 466.987 4.561 50 0 JJAARM COc1cccc(-n2c3nc(SCC(=O)NCc4ccc(C)cc4)[n-]c(=O)c3sc2=S)c1 ZINC000032948280 556563310 /nfs/dbraw/zinc/56/33/10/556563310.db2.gz DFKZOWBAPQWABU-UHFFFAOYSA-N -1 0 484.628 4.643 50 0 JJAARM COc1cccc(-n2c3nc(SCC(=O)Nc4cccc(C)c4)[n-]c(=O)c3sc2=S)c1 ZINC000032948287 556563407 /nfs/dbraw/zinc/56/34/07/556563407.db2.gz OTJJZMPYNHFESX-UHFFFAOYSA-N -1 0 470.601 4.553 50 0 JJAARM COc1cccc(-n2c3nc(SCC(=O)Nc4ccc(C)cc4C)[n-]c(=O)c3sc2=S)c1 ZINC000032948291 556563414 /nfs/dbraw/zinc/56/34/14/556563414.db2.gz ABQKRRIAXXPDMJ-UHFFFAOYSA-N -1 0 484.628 4.861 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2sccc2C)ccc1N1CCCC1 ZINC000008720250 562954767 /nfs/dbraw/zinc/95/47/67/562954767.db2.gz QNGWMWHECGNBSS-UHFFFAOYSA-N -1 0 471.604 4.718 50 0 JJAARM O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CCN(c4ccc(Cl)cc4)C[C@@H]32)C(=O)N1c1ccccc1 ZINC000008695480 569593438 /nfs/dbraw/zinc/59/34/38/569593438.db2.gz QCIYVZIAYZGTKY-YIXXDRMTSA-N -1 0 486.959 4.701 50 0 JJAARM COc1ccc(/C=C2\CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc1OCc1ccccc1 ZINC000008719577 569597598 /nfs/dbraw/zinc/59/75/98/569597598.db2.gz UBOAOYDJKYUKAF-CPNJWEJPSA-N -1 0 454.482 4.627 50 0 JJAARM Cc1cccc(N2CCN(c3ccc(NS(=O)(=O)c4ccc(C)cc4C)cc3C(=O)[O-])C[C@@H]2C)c1 ZINC000032962121 569602869 /nfs/dbraw/zinc/60/28/69/569602869.db2.gz VFBLUSBQURQYLS-NRFANRHFSA-N -1 0 493.629 4.826 50 0 JJAARM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(c3cccc(C)c3)[C@@H](C)C2)cc1 ZINC000032971163 569603585 /nfs/dbraw/zinc/60/35/85/569603585.db2.gz HHFDYMFNTXCCHH-FQEVSTJZSA-N -1 0 479.602 4.518 50 0 JJAARM Cc1cccc(N2CCN(c3ccc(C(=O)[O-])cc3NS(=O)(=O)c3cc(F)ccc3C)C[C@H]2C)c1 ZINC000032971177 569603590 /nfs/dbraw/zinc/60/35/90/569603590.db2.gz APDHSYLXKIZMPE-LJQANCHMSA-N -1 0 497.592 4.657 50 0 JJAARM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(c3cccc(C)c3)[C@H](C)C2)cc1 ZINC000032971162 569603734 /nfs/dbraw/zinc/60/37/34/569603734.db2.gz HHFDYMFNTXCCHH-HXUWFJFHSA-N -1 0 479.602 4.518 50 0 JJAARM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(CC(=O)Nc2ccc(F)cc2Cl)s1 ZINC000032999086 569613426 /nfs/dbraw/zinc/61/34/26/569613426.db2.gz OEKOQZMDIOSVMF-UHFFFAOYSA-N -1 0 456.923 4.970 50 0 JJAARM CCOc1ccccc1N1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4ccccc4)ccc3n2)CC1 ZINC000033010399 569616696 /nfs/dbraw/zinc/61/66/96/569616696.db2.gz YQPVETVKVFJHRT-UHFFFAOYSA-N -1 0 496.567 4.911 50 0 JJAARM Cc1ccc2nc(CSc3ccccc3[N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc(=O)n2c1 ZINC000033026206 569620966 /nfs/dbraw/zinc/62/09/66/569620966.db2.gz WPSUESYZUJAWJV-UHFFFAOYSA-N -1 0 489.981 4.889 50 0 JJAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)[n-]c1=O ZINC000064687490 569623816 /nfs/dbraw/zinc/62/38/16/569623816.db2.gz JFCPDXXJKWGAJK-UHFFFAOYSA-N -1 0 491.495 4.569 50 0 JJAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(Nc2cc(Nc3ccc(C)cc3)nc(C)n2)cc1 ZINC000033326872 569624118 /nfs/dbraw/zinc/62/41/18/569624118.db2.gz QSRGHZQPPOTJNG-UHFFFAOYSA-N -1 0 464.551 4.986 50 0 JJAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(S[C@@H](C)C(=O)Nc2c(C)cccc2C)[n-]c1=O ZINC000064774537 569626488 /nfs/dbraw/zinc/62/64/88/569626488.db2.gz XUNXPKMYZZGBGE-INIZCTEOSA-N -1 0 465.579 4.556 50 0 JJAARM CC(C)C(=O)Nc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)[n-]c1=O ZINC000064774592 569626699 /nfs/dbraw/zinc/62/66/99/569626699.db2.gz XNNKQPFOWSWXDL-GFCCVEGCSA-N -1 0 489.960 4.751 50 0 JJAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)[n-]c1=O ZINC000064774539 569626761 /nfs/dbraw/zinc/62/67/61/569626761.db2.gz YKYMHDGZKWVKFY-INIZCTEOSA-N -1 0 465.579 4.556 50 0 JJAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(C)c(C)c2)[n-]c1=O ZINC000064774929 569627221 /nfs/dbraw/zinc/62/72/21/569627221.db2.gz OUCIRVRIYKVMEA-MRXNPFEDSA-N -1 0 465.579 4.637 50 0 JJAARM Cc1ccc(S(=O)(=O)Nc2cnc(N3CCC(Cc4ccccc4)CC3)c(C(=O)[O-])c2)c(C)c1 ZINC000064843208 569637798 /nfs/dbraw/zinc/63/77/98/569637798.db2.gz NJQWBLHDGCLITF-UHFFFAOYSA-N -1 0 479.602 4.657 50 0 JJAARM CCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2ccc(CC(C)C)cc2)cc1C(=O)[O-] ZINC000064843194 569637825 /nfs/dbraw/zinc/63/78/25/569637825.db2.gz MKEZKMAIFPMRIJ-UHFFFAOYSA-N -1 0 467.591 4.806 50 0 JJAARM CCCCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2ccccc2C)cc1C(=O)[O-] ZINC000064843401 569637964 /nfs/dbraw/zinc/63/79/64/569637964.db2.gz QEXUNUBURKKDKG-UHFFFAOYSA-N -1 0 453.564 4.696 50 0 JJAARM CN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1C(=O)[O-] ZINC000064843290 569637989 /nfs/dbraw/zinc/63/79/89/569637989.db2.gz CZAKSKBFBSMWAS-UHFFFAOYSA-N -1 0 453.564 4.515 50 0 JJAARM O=C1N(Cc2ccccc2Cl)CCCN1c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000034737604 569654544 /nfs/dbraw/zinc/65/45/44/569654544.db2.gz YXTOPUDRIMYVFB-UHFFFAOYSA-N -1 0 455.967 4.973 50 0 JJAARM CC[C@@H](C)NC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)nc1 ZINC000065063469 569656564 /nfs/dbraw/zinc/65/65/64/569656564.db2.gz PTQPMXHPRUNPRG-CYBMUJFWSA-N -1 0 465.984 4.918 50 0 JJAARM COc1cccc(COc2ccc(-c3nnc(CCC(=O)N[C@@H](C)c4ccccc4)c(=O)[n-]3)cc2)c1 ZINC000034763190 569658113 /nfs/dbraw/zinc/65/81/13/569658113.db2.gz DJMCNQFVJCMDLK-IBGZPJMESA-N -1 0 484.556 4.642 50 0 JJAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(F)cc3C)c2)sc1C(=O)N1CCCC1 ZINC000065117014 569666885 /nfs/dbraw/zinc/66/68/85/569666885.db2.gz DQDJAZJTYAKYFY-UHFFFAOYSA-N -1 0 465.597 4.664 50 0 JJAARM CCc1ccc([N-]S(=O)(=O)c2cc(-c3nc(C)c(C(=O)N4CCCC4)s3)cs2)cc1 ZINC000065116883 569666891 /nfs/dbraw/zinc/66/68/91/569666891.db2.gz ZLVDVKYIAIQNAA-UHFFFAOYSA-N -1 0 461.634 4.779 50 0 JJAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cn2C)sc1C(=O)N1CCCCC1 ZINC000065137472 569668434 /nfs/dbraw/zinc/66/84/34/569668434.db2.gz PBUOHOLRZWMKJO-UHFFFAOYSA-N -1 0 479.027 4.537 50 0 JJAARM CC[C@H](Sc1nnc(-c2ccccc2NC(C)=O)c(=O)[n-]1)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000035377884 569685361 /nfs/dbraw/zinc/68/53/61/569685361.db2.gz AMMNUTZFKMWHKF-SFHVURJKSA-N -1 0 471.970 4.674 50 0 JJAARM Cc1ccc(NC(=O)c2ccccc2)c(-c2nnc(SCC(=O)Nc3ccc(F)cc3)[n-]c2=O)c1 ZINC000035377871 569685387 /nfs/dbraw/zinc/68/53/87/569685387.db2.gz KIXJEHPKDMCVFY-UHFFFAOYSA-N -1 0 489.532 4.675 50 0 JJAARM CCC(=O)Nc1ccccc1-c1nnc(S[C@H](CC)C(=O)Nc2ccc(C)cc2C)[n-]c1=O ZINC000035378013 569685738 /nfs/dbraw/zinc/68/57/38/569685738.db2.gz OLXFXQMDXBQBNH-LJQANCHMSA-N -1 0 465.579 4.719 50 0 JJAARM O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)cc2)cnc1N(Cc1ccccc1)Cc1ccccc1 ZINC000035397368 569688083 /nfs/dbraw/zinc/68/80/83/569688083.db2.gz LLFGNGJHBGCJRS-UHFFFAOYSA-N -1 0 491.544 4.927 50 0 JJAARM Cc1ccc(S(=O)(=O)Nc2cnc(N3CC=C(c4ccccc4C)CC3)c(C(=O)[O-])c2)cc1C ZINC000035397796 569688384 /nfs/dbraw/zinc/68/83/84/569688384.db2.gz HZKACMQMKCNPFY-UHFFFAOYSA-N -1 0 477.586 4.800 50 0 JJAARM COc1ccc2cc([C@H]3CC(c4ccc(F)cc4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc2c1 ZINC000069382952 569692882 /nfs/dbraw/zinc/69/28/82/569692882.db2.gz QAXVJLACSKDSAM-HXUWFJFHSA-N -1 0 455.873 4.578 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccccc4)no3)sc2C)cc1OC ZINC000035512487 569698463 /nfs/dbraw/zinc/69/84/63/569698463.db2.gz NQUHLOZIHJDPCI-UHFFFAOYSA-N -1 0 457.533 4.592 50 0 JJAARM Cc1cc([N-]S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)ccc1Br ZINC000035557221 569703273 /nfs/dbraw/zinc/70/32/73/569703273.db2.gz IMQOBAGIPSHMIX-UHFFFAOYSA-N -1 0 454.371 4.937 50 0 JJAARM Cc1cccc(CN2C(=O)NC(=Cc3c(Cc4cccs4)[n-]n(-c4ccccc4)c3=O)C2=O)c1 ZINC000035829462 569712897 /nfs/dbraw/zinc/71/28/97/569712897.db2.gz XMCHFLYLZBSQIP-HAHDFKILSA-N -1 0 470.554 4.632 50 0 JJAARM Cc1cccc(-n2[n-]c(-c3ccccc3)c(C=C3NC(=O)N(Cc4cccc(C#N)c4)C3=O)c2=O)c1C ZINC000035829540 569713016 /nfs/dbraw/zinc/71/30/16/569713016.db2.gz RODAXLBABQRFCS-IWIPYMOSSA-N -1 0 489.535 4.826 50 0 JJAARM CCc1[n-]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C=C1NC(=O)N(Cc2ccc(C)cc2)C1=O ZINC000035836788 569713460 /nfs/dbraw/zinc/71/34/60/569713460.db2.gz NWKNQXPBYGTHSJ-JAIQZWGSSA-N -1 0 471.344 4.848 50 0 JJAARM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3ccc(OC)c(OC)c3)CC(=O)O4)c2=O)cc1 ZINC000085875572 569715884 /nfs/dbraw/zinc/71/58/84/569715884.db2.gz LZYUOQSKGUSALV-KRWDZBQOSA-N -1 0 474.465 4.632 50 0 biogenic JJAARM COc1ccc(CCNc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000089464446 569718403 /nfs/dbraw/zinc/71/84/03/569718403.db2.gz GUPSZVXWGDQXCZ-UHFFFAOYSA-N -1 0 498.992 4.756 50 0 JJAARM COc1ccc2c(CC(=O)Nc3ccc(C)c(S(=O)(=O)[N-]c4ccccc4OC)c3)coc2c1 ZINC000089651356 569719365 /nfs/dbraw/zinc/71/93/65/569719365.db2.gz NKSVBWLADOPBKW-UHFFFAOYSA-N -1 0 480.542 4.740 50 0 JJAARM COc1cccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cc4cccc(C)c4nc3Cl)C2)c1 ZINC000089689021 569719719 /nfs/dbraw/zinc/71/97/19/569719719.db2.gz OJZNGUZBENRHSJ-HXUWFJFHSA-N -1 0 451.910 4.748 50 0 JJAARM CN1CCN(C(=O)C[C@@H](c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)C2CCCCC2)CC1 ZINC000096113729 569732867 /nfs/dbraw/zinc/73/28/67/569732867.db2.gz CNXCSNQHIWITFF-OAQYLSRUSA-N -1 0 490.600 4.699 50 0 biogenic JJAARM O=c1cc(-c2ccccc2)oc2c1c([O-])cc1c2[C@@H](c2coc3ccccc3c2=O)CC(=O)O1 ZINC000096114296 569733481 /nfs/dbraw/zinc/73/34/81/569733481.db2.gz IEOGBPONBHGDBB-MRXNPFEDSA-N -1 0 452.418 4.713 50 0 biogenic JJAARM COC(=O)C[C@@H](c1coc2ccccc2c1=O)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096114784 569733821 /nfs/dbraw/zinc/73/38/21/569733821.db2.gz RTUKPBVDKUGVKY-KRWDZBQOSA-N -1 0 484.460 4.673 50 0 biogenic JJAARM Cc1ccc2occ([C@H]3CC(=O)Oc4cc([O-])c5c(=O)c(-c6ccc(O)cc6)coc5c43)c(=O)c2c1 ZINC000096114783 569733860 /nfs/dbraw/zinc/73/38/60/569733860.db2.gz NYMNAARJAWTVJU-MRXNPFEDSA-N -1 0 482.444 4.727 50 0 biogenic JJAARM O=C1C[C@@H](c2ccc(O)c(Cl)c2)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096115577 569734430 /nfs/dbraw/zinc/73/44/30/569734430.db2.gz PTEFYTIPESPDIH-AWEZNQCLSA-N -1 0 450.830 4.671 50 0 biogenic JJAARM COC(=O)C[C@H](c1ccc(OC)c(OC)c1)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096115628 569734693 /nfs/dbraw/zinc/73/46/93/569734693.db2.gz MWZSCIJYLGVTLF-LJQANCHMSA-N -1 0 476.481 4.583 50 0 biogenic JJAARM COC(=O)C[C@H](c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21)C1=Cc2ccccc2OC1 ZINC000096115795 569734751 /nfs/dbraw/zinc/73/47/51/569734751.db2.gz GTIJQTVWEWDBJP-IBGZPJMESA-N -1 0 470.477 4.994 50 0 biogenic JJAARM COc1ccc2occ([C@H]3CC(=O)Oc4cc([O-])c5c(=O)cc(-c6ccccc6)oc5c43)c(=O)c2c1 ZINC000096115991 569735121 /nfs/dbraw/zinc/73/51/21/569735121.db2.gz SJAYSISSMATSJC-MRXNPFEDSA-N -1 0 482.444 4.722 50 0 biogenic JJAARM O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100662865 569766256 /nfs/dbraw/zinc/76/62/56/569766256.db2.gz ZEQNJNGSPYVWSJ-UHFFFAOYSA-N -1 0 461.587 4.830 50 0 JJAARM CC(=O)c1ccc(NC(=O)C(=O)C(=C([O-])c2ccc3ccccc3c2)[C@H]2OC(=O)c3ccccc32)cc1 ZINC000100721819 569767790 /nfs/dbraw/zinc/76/77/90/569767790.db2.gz LDIQKLGDYAMPSG-NAKRPHOHSA-N -1 0 491.499 4.961 50 0 JJAARM O=S(=O)([N-]c1nc2n(n1)[C@@H](c1ccccc1)CC(c1ccc(Cl)cc1)=N2)c1ccccc1 ZINC000100817283 569770724 /nfs/dbraw/zinc/77/07/24/569770724.db2.gz DEXVFDNMCKSIRH-OAQYLSRUSA-N -1 0 463.950 4.788 50 0 JJAARM O=S(=O)([N-]c1nc2n(n1)[C@H](c1ccccc1)CC(c1ccc(Cl)cc1)=N2)c1ccccc1 ZINC000100817280 569770743 /nfs/dbraw/zinc/77/07/43/569770743.db2.gz DEXVFDNMCKSIRH-NRFANRHFSA-N -1 0 463.950 4.788 50 0 JJAARM CC(C)c1ccc2c(c1)[C@]1(CC(=O)Nc3c1sc(C(=O)[O-])c3-c1ccccc1F)C(=O)N2C ZINC000036358052 569772083 /nfs/dbraw/zinc/77/20/83/569772083.db2.gz HVUBBMPBKQISHF-VWLOTQADSA-N -1 0 464.518 4.981 50 0 JJAARM CC(C)CN1c2ccc(F)cc2[C@]2(CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)C1=O ZINC000036360102 569772500 /nfs/dbraw/zinc/77/25/00/569772500.db2.gz ZYEHFYGOPBNMBD-VWLOTQADSA-N -1 0 464.518 4.883 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3n(n2)[C@H](c2ccc(F)cc2)CC(c2ccccc2)=N3)cc1 ZINC000101020533 569779668 /nfs/dbraw/zinc/77/96/68/569779668.db2.gz PMDCLUOGPSSSMK-QFIPXVFZSA-N -1 0 461.522 4.582 50 0 JJAARM O=C(Nc1ccc(-c2ccc(Cl)c(Cl)c2)cc1)C1=C([O-])c2ccccc2S(=O)(=O)N1 ZINC000101331153 569793404 /nfs/dbraw/zinc/79/34/04/569793404.db2.gz VGACSWBJQLLJFB-UHFFFAOYSA-N -1 0 461.326 4.818 50 0 in-vitro JJAARM COc1ccccc1[C@H]1CC(c2c(=O)[nH]c(=O)n(CCc3ccccc3)c2[O-])=Nc2ccccc2S1 ZINC000101401868 569796491 /nfs/dbraw/zinc/79/64/91/569796491.db2.gz IMLLGHAXMLMXFJ-XMMPIXPASA-N -1 0 499.592 4.851 50 0 JJAARM COc1ccc(OC)c([C@H]2CC(c3c([O-])[nH]c(=S)n(C)c3=O)=Nc3ccccc3S2)c1 ZINC000101495603 569800558 /nfs/dbraw/zinc/80/05/58/569800558.db2.gz KLGZDGODXLWTOY-GOSISDBHSA-N -1 0 455.561 4.524 50 0 JJAARM COc1cc([C@@H]2CC(c3c([O-])[nH]c(=S)n(C)c3=O)=Nc3ccccc3S2)cc(OC)c1OC ZINC000101495660 569800566 /nfs/dbraw/zinc/80/05/66/569800566.db2.gz QIXZGPJFQBESRB-SFHVURJKSA-N -1 0 485.587 4.532 50 0 JJAARM COc1ccc([C@H]2CC(c3c([O-])[nH]c(=S)n(C)c3=O)=Nc3ccccc3S2)cc1OC ZINC000101495525 569800751 /nfs/dbraw/zinc/80/07/51/569800751.db2.gz PUPXBROTWRPGTD-GOSISDBHSA-N -1 0 455.561 4.524 50 0 JJAARM O=c1[nH]c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(O)cc3)C2)c(=O)n1-c1ccc(Cl)cc1 ZINC000101766729 569804668 /nfs/dbraw/zinc/80/46/68/569804668.db2.gz OSHDZICUJCRORW-NRFANRHFSA-N -1 0 491.956 4.948 50 0 JJAARM O=c1[nH]c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(O)cc3)C2)c(=O)n1-c1cccc(Cl)c1 ZINC000101766867 569805002 /nfs/dbraw/zinc/80/50/02/569805002.db2.gz UMSIGVHAPCUAOE-OAQYLSRUSA-N -1 0 491.956 4.948 50 0 JJAARM O=c1[nH]c([O-])c(C2=Nc3ccccc3S[C@@H](c3cccnc3)C2)c(=O)n1-c1cccc(Cl)c1 ZINC000101766880 569805078 /nfs/dbraw/zinc/80/50/78/569805078.db2.gz AVFNOTYEDFMLBO-HXUWFJFHSA-N -1 0 476.945 4.638 50 0 JJAARM COc1ccc(NC(=O)Cc2c(C)[n-]n(-c3nc(-c4ccc(Cl)cc4)cs3)c2=O)cc1 ZINC000101831444 569805479 /nfs/dbraw/zinc/80/54/79/569805479.db2.gz PKARPNVAXSFGTQ-UHFFFAOYSA-N -1 0 454.939 4.853 50 0 JJAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3Cl)cnn2[C@H](c2ccccc2Br)C1 ZINC000101836742 569806044 /nfs/dbraw/zinc/80/60/44/569806044.db2.gz HWCFXKTYFDLHAY-KRWDZBQOSA-N -1 0 473.714 4.535 50 0 JJAARM O=S(=O)([N-]c1nc2n(n1)[C@H](c1c(F)cccc1Cl)CC(c1ccccc1)=N2)c1ccccc1 ZINC000101837250 569806113 /nfs/dbraw/zinc/80/61/13/569806113.db2.gz UITZHTBABOMNNL-FQEVSTJZSA-N -1 0 481.940 4.927 50 0 JJAARM O=S(=O)([N-]c1nc2n(n1)[C@@H](c1c(F)cccc1Cl)CC(c1ccccc1)=N2)c1ccccc1 ZINC000101837242 569806145 /nfs/dbraw/zinc/80/61/45/569806145.db2.gz UITZHTBABOMNNL-HXUWFJFHSA-N -1 0 481.940 4.927 50 0 JJAARM Cc1oc(-c2cccc(Cl)c2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(C(C)C)cc3)c(=O)c1=2 ZINC000102478936 569813456 /nfs/dbraw/zinc/81/34/56/569813456.db2.gz HMBFGCILKAITAL-RTWAWAEBSA-N -1 0 463.925 4.920 50 0 JJAARM O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccc3[nH]c(-c4ccccc4Cl)nc3c2)cc1 ZINC000040156325 569821181 /nfs/dbraw/zinc/82/11/81/569821181.db2.gz SSAIVQHQUZDFMJ-UHFFFAOYSA-N -1 0 455.923 4.701 50 0 JJAARM COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4Cl)c32)c(OC)c1OC ZINC000040287777 569823754 /nfs/dbraw/zinc/82/37/54/569823754.db2.gz WGJLVEAAKIMEJX-CYBMUJFWSA-N -1 0 456.882 4.978 50 0 JJAARM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 ZINC000040450447 569828595 /nfs/dbraw/zinc/82/85/95/569828595.db2.gz DORAOMGYBKSFFF-UHFFFAOYSA-N -1 0 469.788 4.511 50 0 JJAARM COc1cc(/C=C2\CCn3c2nc2sc(C(=O)[O-])c(C)c2c3=O)ccc1OCCC(C)C ZINC000102971457 569830410 /nfs/dbraw/zinc/83/04/10/569830410.db2.gz ZCKSIIAXHANQMA-LFIBNONCSA-N -1 0 454.548 4.842 50 0 JJAARM COc1cccc(N2C(=O)[C@@H]3ON(c4cccc(Br)c4)[C@@H](c4ccc(C)cc4)[C@H]3C2=O)c1 ZINC000103194826 569833747 /nfs/dbraw/zinc/83/37/47/569833747.db2.gz VSXXGGUJNSHFKH-XPWALMASSA-N -1 0 493.357 4.817 50 0 JJAARM O=C([O-])C=CC(=O)Nc1cccc(S[C@@H]2CC(=O)N(c3ccc(/C=C/c4ccccc4)cc3)C2=O)c1 ZINC000113563957 569861964 /nfs/dbraw/zinc/86/19/64/569861964.db2.gz NRHPGLALXCLRNQ-VJVFVHDASA-N -1 0 498.560 4.861 50 0 JJAARM COc1cc(OC)cc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cc4cccc(C)c4nc3Cl)C2)c1 ZINC000170615216 569872928 /nfs/dbraw/zinc/87/29/28/569872928.db2.gz HLWMAMJTFPXFKF-NRFANRHFSA-N -1 0 481.936 4.756 50 0 JJAARM C[C@H](Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000238923879 570047874 /nfs/dbraw/zinc/04/78/74/570047874.db2.gz PXQVEEGGBCBFCF-BQFCYCMXSA-N -1 0 483.948 4.888 50 0 JJAARM COc1ccc(-c2cc(=O)oc3c(C)c(O[C@H](C)C(=O)NC[C@H]4CC[C@H](C(=O)[O-])CC4)ccc23)cc1 ZINC000238950541 570048289 /nfs/dbraw/zinc/04/82/89/570048289.db2.gz YNUPOGYQISPFQE-QWFCFKBJSA-N -1 0 493.556 4.552 50 0 JJAARM COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(OC)c(OC)c2C(=O)[O-])c(OC)c1 ZINC000239439188 570052521 /nfs/dbraw/zinc/05/25/21/570052521.db2.gz ZOAAQRWBSAYBJU-IBVKSMDESA-N -1 0 490.512 4.662 50 0 JJAARM COc1cccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(OC)c(OC)c2C(=O)[O-])c1 ZINC000245256552 570060393 /nfs/dbraw/zinc/06/03/93/570060393.db2.gz RDCLOEQUFWXZFR-IBVKSMDESA-N -1 0 490.512 4.662 50 0 JJAARM COc1cccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(OC)c(OC)c2C(=O)[O-])c1 ZINC000245256551 570060396 /nfs/dbraw/zinc/06/03/96/570060396.db2.gz RDCLOEQUFWXZFR-FNZWTVRRSA-N -1 0 490.512 4.662 50 0 JJAARM CC(=O)[C@@H]1[C@H](C(=O)c2cccs2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000245312310 570063710 /nfs/dbraw/zinc/06/37/10/570063710.db2.gz TWRMAQGRZFHYQW-FCBCXNLDSA-N -1 0 474.969 4.964 50 0 JJAARM COc1cc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(Cl)cc5)coc4c32)cc2c1OCO2 ZINC000253414816 570098679 /nfs/dbraw/zinc/09/86/79/570098679.db2.gz YSCUQLFHUXTMCU-OAHLLOKOSA-N -1 0 492.867 4.997 50 0 JJAARM COc1ccc([C@@H](CC(=O)NCCc2c[nH]c3ccccc23)c2c([O-])c3ccccc3oc2=O)cc1 ZINC000253471462 570099475 /nfs/dbraw/zinc/09/94/75/570099475.db2.gz SYCLOLLRIVRHAP-HSZRJFAPSA-N -1 0 482.536 4.869 50 0 JJAARM COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2ccccc2OC)cc1OC ZINC000263586393 570171796 /nfs/dbraw/zinc/17/17/96/570171796.db2.gz UADYHORHXQRQJQ-MRXNPFEDSA-N -1 0 474.465 4.632 50 0 JJAARM O=C([O-])COc1ccc(-c2csc3ccccc32)cc1CN1CCN(c2ccccn2)CC1 ZINC000299756261 570174150 /nfs/dbraw/zinc/17/41/50/570174150.db2.gz KSBLHLJMFDFPJI-UHFFFAOYSA-N -1 0 459.571 4.749 50 0 JJAARM 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CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccc(OC)c(OC)c1 ZINC000012414878 521620378 /nfs/dbraw/zinc/62/03/78/521620378.db2.gz RPDAVVTVDTWCBV-UHFFFAOYSA-N -1 0 461.561 4.718 50 0 JJAARM COc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000016115576 521966528 /nfs/dbraw/zinc/96/65/28/521966528.db2.gz DHKJFTSCXDCEFE-MTJSOVHGSA-N -1 0 492.915 4.719 50 0 JJAARM COc1cc(Cl)c([N-]S(=O)(=O)c2ccc(/C=C/c3onc(C)c3NC(C)=O)s2)c(OC)c1 ZINC000033306479 522531174 /nfs/dbraw/zinc/53/11/74/522531174.db2.gz NIMLSUNDBLGRQJ-FNORWQNLSA-N -1 0 497.982 4.645 50 0 JJAARM COc1cc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccccc4)no3)sc2C)cc(OC)c1 ZINC000046141254 522752847 /nfs/dbraw/zinc/75/28/47/522752847.db2.gz GLFAJSMJSQDWAK-UHFFFAOYSA-N -1 0 457.533 4.592 50 0 JJAARM COc1cc([N-]S(=O)(=O)c2ccccc2-c2nc(-c3ccc(C)cc3)no2)cc(OC)c1OC ZINC000033175614 522757960 /nfs/dbraw/zinc/75/79/60/522757960.db2.gz ZSSPWKSESMKYAU-UHFFFAOYSA-N -1 0 481.530 4.539 50 0 JJAARM COc1ccc(-c2cc(C(=O)[N-]c3nc(SCc4ccccc4)ns3)no2)cc1OC ZINC000046086606 523101419 /nfs/dbraw/zinc/10/14/19/523101419.db2.gz WNFCCKUPNMCTOA-UHFFFAOYSA-N -1 0 454.533 4.755 50 0 JJAARM COc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(Br)cc3)n2)cc1OC ZINC000020492140 523103785 /nfs/dbraw/zinc/10/37/85/523103785.db2.gz GRXDJJNVRCETSM-UHFFFAOYSA-N -1 0 454.280 4.770 50 0 JJAARM COc1ccc(-c2cnn3c2nc(C)cc3C)cc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000033171423 523154478 /nfs/dbraw/zinc/15/44/78/523154478.db2.gz ZKNOWDFUSIQUEY-UHFFFAOYSA-N -1 0 492.479 4.721 50 0 JJAARM COc1ccc(-c2nn(-c3ccccc3)cc2CN(Cc2ccc(F)cc2)C(=O)/C=C\C(=O)[O-])cc1 ZINC000033432373 523245284 /nfs/dbraw/zinc/24/52/84/523245284.db2.gz MGRQUXPPFSKQOH-NXVVXOECSA-N -1 0 485.515 4.857 50 0 JJAARM COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)[N-]c1c(C)cccc1C ZINC000033170632 523438943 /nfs/dbraw/zinc/43/89/43/523438943.db2.gz SEBIFPJIQGJHPI-BENRWUELSA-N -1 0 455.536 4.538 50 0 JJAARM CCc1c(-c2ccc(F)cc2)nn2c1N[C@H](c1ccccc1)[C@@H](c1ccccc1)[C@]2(O)C(=O)[O-] ZINC000072332354 523677020 /nfs/dbraw/zinc/67/70/20/523677020.db2.gz PDLMORCYLKVRMX-GYZWWNDVSA-N -1 0 457.505 4.932 50 0 JJAARM CCc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(c3cccc(C)c3)[C@H](C)C2)cc1 ZINC000035239931 524017406 /nfs/dbraw/zinc/01/74/06/524017406.db2.gz IUIHMHWSBGEHLP-HXUWFJFHSA-N -1 0 493.629 4.772 50 0 JJAARM Cc1ccc(C)c(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3)c(=O)[n-]2)c1 ZINC000016840459 524137014 /nfs/dbraw/zinc/13/70/14/524137014.db2.gz XLISRXPVONHCMS-UHFFFAOYSA-N -1 0 454.602 4.852 50 0 JJAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cc3c(cc2Sc2ccc(F)cc2)n(C)c(=O)n3C)c1 ZINC000045941151 524254100 /nfs/dbraw/zinc/25/41/00/524254100.db2.gz ALGIWZTVOMEEIU-UHFFFAOYSA-N -1 0 485.606 4.893 50 0 JJAARM COc1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@H]2c2ccccc2F)cc1Cl ZINC000024193198 524385558 /nfs/dbraw/zinc/38/55/58/524385558.db2.gz PLMHRARXJNVQOU-HXUWFJFHSA-N -1 0 473.909 4.819 50 0 JJAARM Cc1cccc(N2CCN(c3cc(C(=O)[O-])c4cc(NC(=O)C(C)(C)C)ccc4n3)CC2)c1C ZINC000033260755 524560904 /nfs/dbraw/zinc/56/09/04/524560904.db2.gz IPWVHBMERWKUII-UHFFFAOYSA-N -1 0 460.578 4.861 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2cc(C(F)(F)F)on2)cc1OC ZINC000033299319 524683238 /nfs/dbraw/zinc/68/32/38/524683238.db2.gz FNLNBGWKQRGXAO-UHFFFAOYSA-N -1 0 462.471 4.857 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)ccc2OC)cc1Cl ZINC000033173520 524686698 /nfs/dbraw/zinc/68/66/98/524686698.db2.gz UDBNMJCXLRTEKR-UHFFFAOYSA-N -1 0 462.833 4.832 50 0 JJAARM COc1ccc(OC)c(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(Br)cc3)n2)c1 ZINC000020492142 524792005 /nfs/dbraw/zinc/79/20/05/524792005.db2.gz LBKZERYBTISQHT-UHFFFAOYSA-N -1 0 454.280 4.770 50 0 JJAARM Cc1cccc2c1N(C)C(=O)[C@]21CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccccc1Cl ZINC000036365604 524949972 /nfs/dbraw/zinc/94/99/72/524949972.db2.gz CPZMTYGXMWFRGJ-HSZRJFAPSA-N -1 0 452.919 4.680 50 0 JJAARM Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)C2=O)cc1 ZINC000016293040 525050218 /nfs/dbraw/zinc/05/02/18/525050218.db2.gz ILPPXMQGFBCMBW-NDENLUEZSA-N -1 0 462.483 4.628 50 0 JJAARM Cc1ccc(NC(=O)CSc2ccc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])cc2)cc1Cl ZINC000022566264 525077077 /nfs/dbraw/zinc/07/70/77/525077077.db2.gz MXWKUGHJAFINGA-OALUTQOASA-N -1 0 458.967 4.985 50 0 JJAARM Cc1ccc(NC(=O)CSc2nnc(-c3cc(C)ccc3NC(=O)c3ccccc3)c(=O)[n-]2)cc1 ZINC000021882763 525084578 /nfs/dbraw/zinc/08/45/78/525084578.db2.gz QMWAPRLEKHEIRV-UHFFFAOYSA-N -1 0 485.569 4.844 50 0 JJAARM Cc1cc(NC(=O)NCCc2ccccc2)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000013349459 525192158 /nfs/dbraw/zinc/19/21/58/525192158.db2.gz DOZHPWPRECSESE-UHFFFAOYSA-N -1 0 466.588 4.770 50 0 JJAARM C[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000006146487 525240029 /nfs/dbraw/zinc/24/00/29/525240029.db2.gz HNUYWZKZAFTPAN-HNNXBMFYSA-N -1 0 459.365 4.741 50 0 JJAARM Cc1ccc(NC(=O)c2ccccc2)c(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3)[n-]c2=O)c1 ZINC000021882760 525246427 /nfs/dbraw/zinc/24/64/27/525246427.db2.gz JYBGCFAAHMXQSR-QGZVFWFLSA-N -1 0 485.569 4.924 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(NC(=O)NCCc4ccccc4)ccc3s2)cc1 ZINC000013347574 525619093 /nfs/dbraw/zinc/61/90/93/525619093.db2.gz CIQQGFVFIOPPNZ-UHFFFAOYSA-N -1 0 466.588 4.770 50 0 JJAARM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc2c(cc1Sc1ccc(F)cc1)n(C)c(=O)n2C ZINC000045941154 525785002 /nfs/dbraw/zinc/78/50/02/525785002.db2.gz SBXLBGKMSIBDPL-UHFFFAOYSA-N -1 0 491.997 4.930 50 0 JJAARM C[C@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000006142022 525940943 /nfs/dbraw/zinc/94/09/43/525940943.db2.gz BAUJIQPZQUOMNX-SSOJOUAXSA-N -1 0 496.519 4.521 50 0 biogenic JJAARM COc1cccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)c1 ZINC000016600781 526004990 /nfs/dbraw/zinc/00/49/90/526004990.db2.gz FUZGDWSTDLUIIM-UHFFFAOYSA-N -1 0 465.358 4.733 50 0 JJAARM COc1cccc([N-]S(=O)(=O)c2c3oc(C(=O)N4CCCCC4)c(C)c3cc(C)c2C)c1 ZINC000065010577 526209510 /nfs/dbraw/zinc/20/95/10/526209510.db2.gz OMBVWWGMIFFSSF-UHFFFAOYSA-N -1 0 456.564 4.794 50 0 JJAARM O=C([O-])c1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1CCN(Cc2cccc(F)c2)CC1 ZINC000033078812 526350922 /nfs/dbraw/zinc/35/09/22/526350922.db2.gz RVTXDUAMHKOFQI-UHFFFAOYSA-N -1 0 467.928 4.752 50 0 JJAARM O=C([O-])c1ccc(N2CCC(Cc3ccccc3)CC2)c(NS(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000033253839 526372991 /nfs/dbraw/zinc/37/29/91/526372991.db2.gz FEKMSJDNKMAPQS-UHFFFAOYSA-N -1 0 486.540 4.923 50 0 JJAARM Cc1noc(C)c1CCN(C)c1ccc(NS(=O)(=O)c2ccc(CC(C)C)cc2)cc1C(=O)[O-] ZINC000021883426 526491033 /nfs/dbraw/zinc/49/10/33/526491033.db2.gz RKZLBXCJMASBGE-UHFFFAOYSA-N -1 0 485.606 4.668 50 0 JJAARM Cn1c2cc([N-]S(=O)(=O)c3ccc(F)cc3)c(Sc3ccc(Cl)cc3)cc2n(C)c1=O ZINC000045941078 527096850 /nfs/dbraw/zinc/09/68/50/527096850.db2.gz NZLBUVZRKAAYLX-UHFFFAOYSA-N -1 0 477.970 4.622 50 0 JJAARM O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cc(Br)cc(Br)c1[O-] ZINC000012435915 527233176 /nfs/dbraw/zinc/23/31/76/527233176.db2.gz BYQGEDNOFVSANU-UHFFFAOYSA-N -1 0 454.118 4.518 50 0 JJAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000006191273 527257363 /nfs/dbraw/zinc/25/73/63/527257363.db2.gz IJKGTUJFZGBLDP-UHFFFAOYSA-N -1 0 487.566 4.806 50 0 JJAARM O=C([O-])CC12C[C@H]3C[C@@H](C1)CC(n1ncc(Nc4cc(Cl)ccc4O)c(Cl)c1=O)(C3)C2 ZINC000016385204 527569612 /nfs/dbraw/zinc/56/96/12/527569612.db2.gz UMKMOACLLBQTKH-DRUBFKJYSA-N -1 0 464.349 4.770 50 0 JJAARM O=C([O-])CC12C[C@H]3C[C@@H](C1)CC(n1ncc(NCCc4ccc(Cl)cc4)c(Cl)c1=O)(C3)C2 ZINC000016401435 527570605 /nfs/dbraw/zinc/57/06/05/527570605.db2.gz INKYOUIGWSUECN-UPFYTXMWSA-N -1 0 476.404 4.975 50 0 JJAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1ncnc2sc(-c3ccccc3)cc21 ZINC000013416451 527648218 /nfs/dbraw/zinc/64/82/18/527648218.db2.gz BAGLTZLTJZPNMR-HXUWFJFHSA-N -1 0 488.594 4.744 50 0 JJAARM Cc1c2cc(Cl)c(C)cc2oc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000634069 553720083 /nfs/dbraw/zinc/72/00/83/553720083.db2.gz KFBHMTLCNPIXBS-UHFFFAOYSA-N -1 0 456.911 4.546 50 0 JJAARM COC(=O)c1c([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)sc2c1CCCC2 ZINC000000640068 553723429 /nfs/dbraw/zinc/72/34/29/553723429.db2.gz GAVBNUYDBJXEKN-UHFFFAOYSA-N -1 0 450.365 4.530 50 0 JJAARM O=C(CSc1nc([O-])cc(=O)n1-c1cccc(Cl)c1)Nc1ccc2c3c(cccc31)CC2 ZINC000000657247 553736885 /nfs/dbraw/zinc/73/68/85/553736885.db2.gz TYPCXKVEGYJJRB-UHFFFAOYSA-N -1 0 463.946 4.574 50 0 JJAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3c(C)onc3-c3ccccc3Cl)cc2)c1C ZINC000000673042 553746472 /nfs/dbraw/zinc/74/64/72/553746472.db2.gz RSFOBZDPQVBPPD-UHFFFAOYSA-N -1 0 486.937 4.961 50 0 JJAARM CCOC(=O)c1cc(CC)sc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000000846139 553796105 /nfs/dbraw/zinc/79/61/05/553796105.db2.gz YOLUWYAQGQUICI-UHFFFAOYSA-N -1 0 472.588 4.849 50 0 JJAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)cc2)c1C ZINC000000935633 553873304 /nfs/dbraw/zinc/87/33/04/553873304.db2.gz MODPUOQDWPSKGD-MRXNPFEDSA-N -1 0 477.970 4.768 50 0 JJAARM O=C([O-])c1ccc(N=C2C=C(NS(=O)(=O)c3ccc4ccccc4c3)c3ccccc3C2=O)cc1 ZINC000000944501 553878656 /nfs/dbraw/zinc/87/86/56/553878656.db2.gz BOUGCFLCXZGDOC-RMLRFSFXSA-N -1 0 482.517 4.908 50 0 JJAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(Cl)sc3Cl)cc2)n1 ZINC000000944843 553878866 /nfs/dbraw/zinc/87/88/66/553878866.db2.gz DEOVYQRGILSMLA-UHFFFAOYSA-N -1 0 457.364 4.515 50 0 JJAARM COc1c(Br)cc(/C=C2\SC(c3ccccc3)=NC2=O)c([O-])c1Br ZINC000000973725 553888100 /nfs/dbraw/zinc/88/81/00/553888100.db2.gz AYIKCSLUJPVZSD-WQLSENKSSA-N -1 0 469.154 4.987 50 0 JJAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1)c1ccc(Cl)cc1Cl ZINC000000997276 553898174 /nfs/dbraw/zinc/89/81/74/553898174.db2.gz UQMNIFWYQXIESR-UHFFFAOYSA-N -1 0 473.341 4.990 50 0 JJAARM Cc1ccc([N-]S(=O)(=O)c2cc(S(=O)(=O)c3ccc(Cl)cc3)ccc2Cl)cc1 ZINC000001195951 553931006 /nfs/dbraw/zinc/93/10/06/553931006.db2.gz ZXCRWKYWMUNKKK-UHFFFAOYSA-N -1 0 456.372 4.935 50 0 JJAARM CCOC(=O)[C@]([N-]c1ccc(F)cc1F)(NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F ZINC000002050617 554010854 /nfs/dbraw/zinc/01/08/54/554010854.db2.gz SPSKWGGNDXFMAJ-KRWDZBQOSA-N -1 0 471.209 4.935 50 0 JJAARM Cc1oc2c(cc3c(C)c(CC(=O)N[C@@H](CSCc4ccccc4)C(=O)[O-])c(=O)oc3c2C)c1C ZINC000002106256 554046400 /nfs/dbraw/zinc/04/64/00/554046400.db2.gz MNXHZTOHIHAFKG-QFIPXVFZSA-N -1 0 493.581 4.818 50 0 biogenic JJAARM COc1ccc(-c2cc(=O)oc3c(C)c(O[C@@H](C)C(=O)NCC4CCC(C(=O)[O-])CC4)ccc23)cc1 ZINC000002115897 554053393 /nfs/dbraw/zinc/05/33/93/554053393.db2.gz YNUPOGYQISPFQE-ZJRDLVKKSA-N -1 0 493.556 4.552 50 0 biogenic JJAARM CCCC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(F)cc1)C(=O)[O-] ZINC000002121887 554056181 /nfs/dbraw/zinc/05/61/81/554056181.db2.gz KZBQOYIMDIKLOM-OAQYLSRUSA-N -1 0 465.477 4.956 50 0 biogenic JJAARM CCCC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(F)cc1)C(=O)[O-] ZINC000002121885 554056252 /nfs/dbraw/zinc/05/62/52/554056252.db2.gz KZBQOYIMDIKLOM-NRFANRHFSA-N -1 0 465.477 4.956 50 0 biogenic JJAARM C=CCc1ccccc1OCCn1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c2ccccc21 ZINC000002124448 554057704 /nfs/dbraw/zinc/05/77/04/554057704.db2.gz MVJVXHJVIQLJFE-NCELDCMTSA-N -1 0 463.537 4.910 50 0 JJAARM Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H](CSCc4ccccc4)C(=O)[O-])c(C)c3cc2c1C ZINC000002152472 554070808 /nfs/dbraw/zinc/07/08/08/554070808.db2.gz RSUWPHODJFWREH-QFIPXVFZSA-N -1 0 493.581 4.900 50 0 biogenic JJAARM Cc1oc2cc3oc(=O)c(CCC(=O)N[C@H](Cc4ccc(Cl)cc4)C(=O)[O-])c(C)c3cc2c1C ZINC000002155628 554072298 /nfs/dbraw/zinc/07/22/98/554072298.db2.gz FCVGSSQJVBWFDL-OAQYLSRUSA-N -1 0 481.932 4.863 50 0 biogenic JJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc3c(c2)OCCO3)c(C)c1 ZINC000002199528 554090750 /nfs/dbraw/zinc/09/07/50/554090750.db2.gz UCCRINYARPPVDF-UHFFFAOYSA-N -1 0 462.531 4.562 50 0 JJAARM COc1ccc(CCNc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2C)cc1OC ZINC000002222895 554101908 /nfs/dbraw/zinc/10/19/08/554101908.db2.gz QTYNBCXQJMWQJX-UHFFFAOYSA-N -1 0 492.601 4.719 50 0 JJAARM COC(=O)c1c(C)c(C)sc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1 ZINC000002312697 554144031 /nfs/dbraw/zinc/14/40/31/554144031.db2.gz QIAWINYTQLHVGB-UHFFFAOYSA-N -1 0 468.560 4.639 50 0 JJAARM Cc1cnc([N-]C(NC(=O)c2ccc(Br)cc2)(C(F)(F)F)C(F)(F)F)s1 ZINC000002354272 554163090 /nfs/dbraw/zinc/16/30/90/554163090.db2.gz BVOQSUCRYGBZJL-UHFFFAOYSA-N -1 0 462.213 4.877 50 0 JJAARM CCOC(=O)c1c(C)c(C)sc1Nc1nc2ccccc2nc1N1CCC(C(=O)[O-])CC1 ZINC000002356635 554164355 /nfs/dbraw/zinc/16/43/55/554164355.db2.gz GQVFFWVWRATBMF-UHFFFAOYSA-N -1 0 454.552 4.529 50 0 JJAARM CC1(C)OCc2cc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)[O-])ccc2O1 ZINC000002392281 554179886 /nfs/dbraw/zinc/17/98/86/554179886.db2.gz DVEGPXAHQDWTBY-DEOSSOPVSA-N -1 0 473.525 4.866 50 0 JJAARM CCOC(=O)c1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000002428783 554203469 /nfs/dbraw/zinc/20/34/69/554203469.db2.gz KDCUGJAJVODAIA-UHFFFAOYSA-N -1 0 476.558 4.968 50 0 JJAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cc(-c2cccs2)nc2ccccc21 ZINC000002486424 554226372 /nfs/dbraw/zinc/22/63/72/554226372.db2.gz KHTZVWNSCJPMPX-UHFFFAOYSA-N -1 0 487.566 4.806 50 0 JJAARM O=C([O-])[C@H](CCC(=O)OCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002539225 554233553 /nfs/dbraw/zinc/23/35/53/554233553.db2.gz HJJURMMMGPQIQP-DEOSSOPVSA-N -1 0 459.498 4.502 50 0 JJAARM O=C([O-])[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002567693 554236317 /nfs/dbraw/zinc/23/63/17/554236317.db2.gz DLOGILOIJKBYKA-QGZVFWFLSA-N -1 0 477.385 4.917 50 0 JJAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3-c3ccccc3)cc2)n1 ZINC000002632106 554253870 /nfs/dbraw/zinc/25/38/70/554253870.db2.gz WNLYLRDSPBHPEL-UHFFFAOYSA-N -1 0 488.569 4.579 50 0 JJAARM CCCCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C(=O)[O-])c4ccccc4C3c3ccccc32)cc1 ZINC000002750200 554325802 /nfs/dbraw/zinc/32/58/02/554325802.db2.gz UIEKGCNGOSBDGF-UTNLWQBASA-N -1 0 467.521 4.501 50 0 JJAARM CCCCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C(=O)[O-])c4ccccc4C3c3ccccc32)cc1 ZINC000002750202 554325823 /nfs/dbraw/zinc/32/58/23/554325823.db2.gz UIEKGCNGOSBDGF-OHTDUKGKSA-N -1 0 467.521 4.501 50 0 JJAARM CCCCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C(=O)[O-])c3ccccc32)cc1 ZINC000002750201 554325846 /nfs/dbraw/zinc/32/58/46/554325846.db2.gz UIEKGCNGOSBDGF-UDXLVXBTSA-N -1 0 467.521 4.501 50 0 JJAARM Cc1c(Br)c(-c2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)nn1C ZINC000002809597 554359638 /nfs/dbraw/zinc/35/96/38/554359638.db2.gz MCMFQMRSZHIAKO-UHFFFAOYSA-N -1 0 482.770 4.790 50 0 JJAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CCSc3ccc(C)cc3)cc2)c1 ZINC000002843213 554374387 /nfs/dbraw/zinc/37/43/87/554374387.db2.gz YXBJMDMSTRMFRE-UHFFFAOYSA-N -1 0 486.615 4.934 50 0 JJAARM Cc1cc(C)cc(OCC(=O)Nc2cc(NC(=O)COc3cc(C)cc(C)c3)cc(C(=O)[O-])c2)c1 ZINC000002846442 554376291 /nfs/dbraw/zinc/37/62/91/554376291.db2.gz LIEQJIUJVAKWND-UHFFFAOYSA-N -1 0 476.529 4.653 50 0 JJAARM O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(Cl)cc1)c2=O ZINC000002973417 554414549 /nfs/dbraw/zinc/41/45/49/554414549.db2.gz BFEZQSLIIYBODN-UHFFFAOYSA-N -1 0 470.381 4.970 50 0 JJAARM CCC[C@H](C)NC(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(C)(C)C)ccc1C ZINC000006093606 554505029 /nfs/dbraw/zinc/50/50/29/554505029.db2.gz NRFYREDOQSXXFP-SFHVURJKSA-N -1 0 474.623 4.555 50 0 JJAARM O=C([O-])[C@H]1CC(=O)N(CCc2ccccc2)C(=Nc2ccc(OC(F)(F)Cl)cc2)S1 ZINC000008426529 554581586 /nfs/dbraw/zinc/58/15/86/554581586.db2.gz DWIUVBLOFFSPBB-MRXNPFEDSA-N -1 0 454.882 4.503 50 0 JJAARM CCCCCSc1nnc2c(n1)O[C@H](c1ccc(C(=O)[O-])cc1)N(C(C)=O)c1ccccc1-2 ZINC000008452967 554598570 /nfs/dbraw/zinc/59/85/70/554598570.db2.gz JYVWRWNTNZPIKW-JOCHJYFZSA-N -1 0 464.547 4.963 50 0 JJAARM CCCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(OC)cc1 ZINC000008455880 554600149 /nfs/dbraw/zinc/60/01/49/554600149.db2.gz NGTDSVJFIOHGJY-GJJHYRHESA-N -1 0 471.575 4.984 50 0 JJAARM Cc1ccc2c(c1)N(C)C(=O)c1cc([N-]S(=O)(=O)c3ccccc3Br)ccc1O2 ZINC000008961458 554837986 /nfs/dbraw/zinc/83/79/86/554837986.db2.gz ZEPFNVXPGABODQ-UHFFFAOYSA-N -1 0 473.348 4.941 50 0 JJAARM COc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4cccs4)=NN32)c(C(=O)[O-])c1OC ZINC000008964561 554838539 /nfs/dbraw/zinc/83/85/39/554838539.db2.gz FEHHUPDAJQUCPH-MWTRTKDXSA-N -1 0 466.515 4.714 50 0 biogenic JJAARM CCOc1ccc2nc([N-][C@](NC(=O)c3ccc(Cl)cc3)(C(=O)OC)C(F)(F)F)sc2c1 ZINC000008969592 554843221 /nfs/dbraw/zinc/84/32/21/554843221.db2.gz CXEJTNSTEGKKBY-LJQANCHMSA-N -1 0 487.887 4.622 50 0 JJAARM COc1cccc(Nc2nc3cc(OC)ccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000009009971 554863535 /nfs/dbraw/zinc/86/35/35/554863535.db2.gz QWKGAAMCCPHXKY-UHFFFAOYSA-N -1 0 470.938 4.845 50 0 JJAARM COc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4)=NN32)c(C(=O)[O-])c1OC ZINC000009033109 554867488 /nfs/dbraw/zinc/86/74/88/554867488.db2.gz DXVSFRSZKJGQIK-KBMIEXCESA-N -1 0 460.486 4.653 50 0 biogenic JJAARM CCOc1ccc2cc([C@H]3CC(c4ccccc4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc2c1 ZINC000009096706 554895166 /nfs/dbraw/zinc/89/51/66/554895166.db2.gz FLWBPLUEMOVHPO-OAQYLSRUSA-N -1 0 451.910 4.829 50 0 JJAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N1CCC[C@@H](C(=O)[O-])C1)occ3-c1ccccc1 ZINC000009134735 554931962 /nfs/dbraw/zinc/93/19/62/554931962.db2.gz YIQIXIFAKANZHT-GOSISDBHSA-N -1 0 459.498 4.770 50 0 JJAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N1CCC[C@H](C(=O)[O-])C1)occ3-c1ccccc1 ZINC000009134734 554932008 /nfs/dbraw/zinc/93/20/08/554932008.db2.gz YIQIXIFAKANZHT-SFHVURJKSA-N -1 0 459.498 4.770 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)Cc2ccccc2)ccc1N1CCCCC1 ZINC000009136634 554932889 /nfs/dbraw/zinc/93/28/89/554932889.db2.gz TYPULCDAIKTULM-UHFFFAOYSA-N -1 0 479.602 4.668 50 0 JJAARM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCC(C)(C)C(=O)N2CCC(C)C ZINC000009169531 554952919 /nfs/dbraw/zinc/95/29/19/554952919.db2.gz BTFDWTOFZORUPV-UHFFFAOYSA-N -1 0 474.623 4.992 50 0 JJAARM CC(C)CCN1c2cc([N-]S(=O)(=O)c3ccc(F)cc3F)ccc2OCC(C)(C)C1=O ZINC000009174216 554954901 /nfs/dbraw/zinc/95/49/01/554954901.db2.gz VFUHCBOMTSVQSA-UHFFFAOYSA-N -1 0 452.523 4.563 50 0 JJAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1)c1cc(F)c(F)cc1Cl ZINC000009183563 554956033 /nfs/dbraw/zinc/95/60/33/554956033.db2.gz KGOLKTBKIVCBBO-UHFFFAOYSA-N -1 0 474.876 4.615 50 0 JJAARM COc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(F)cc4)=NN32)c(C(=O)[O-])c1OC ZINC000009216406 554984767 /nfs/dbraw/zinc/98/47/67/554984767.db2.gz QACXDMIPLZGVQY-KBMIEXCESA-N -1 0 478.476 4.792 50 0 JJAARM CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000009260511 555035012 /nfs/dbraw/zinc/03/50/12/555035012.db2.gz LZQUKEQTCDJOJH-LPYMAVHISA-N -1 0 490.487 4.595 50 0 JJAARM O=C([O-])COc1c(Cl)cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1Br ZINC000009260850 555035708 /nfs/dbraw/zinc/03/57/08/555035708.db2.gz WJYSYKNMSIAKAW-RIYZIHGNSA-N -1 0 468.712 4.807 50 0 JJAARM CCOc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2Br)cc1OCC ZINC000009315203 555090281 /nfs/dbraw/zinc/09/02/81/555090281.db2.gz CEHCYIJIHVDMHZ-UHFFFAOYSA-N -1 0 479.190 4.810 50 0 JJAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1cc(Cl)ccc1OC ZINC000009320556 555095207 /nfs/dbraw/zinc/09/52/07/555095207.db2.gz HRVDYWHRDUJAND-UHFFFAOYSA-N -1 0 451.953 4.973 50 0 JJAARM COc1ccc(CN(C(=O)c2ccc(OC)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)C2CC2)cc1 ZINC000009338420 555106619 /nfs/dbraw/zinc/10/66/19/555106619.db2.gz HWNOFRVVQQINKK-UHFFFAOYSA-N -1 0 480.586 4.618 50 0 JJAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cc4cccc(C)c4nc3Cl)C2)cc1OC ZINC000009349049 555115605 /nfs/dbraw/zinc/11/56/05/555115605.db2.gz GVCLNRQVXKECQM-IBGZPJMESA-N -1 0 481.936 4.756 50 0 JJAARM COc1cc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])cc(Br)c1OCc1ccccc1F ZINC000009350807 555117191 /nfs/dbraw/zinc/11/71/91/555117191.db2.gz CBZMNZHZBFCOFT-MFOYZWKCSA-N -1 0 494.342 4.820 50 0 JJAARM COc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000009378595 555140307 /nfs/dbraw/zinc/14/03/07/555140307.db2.gz LAENZYXDQRBYLB-UHFFFAOYSA-N -1 0 497.317 4.789 50 0 JJAARM O=C([N-]c1nonc1-c1ccccc1)c1nc(SCc2ccc(F)cc2)ncc1Br ZINC000009410030 555175627 /nfs/dbraw/zinc/17/56/27/555175627.db2.gz FBHZEDKHUJTUIO-UHFFFAOYSA-N -1 0 486.326 4.973 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000009444315 555217292 /nfs/dbraw/zinc/21/72/92/555217292.db2.gz RZKWYVQCAOEKGL-UHFFFAOYSA-N -1 0 465.358 4.984 50 0 JJAARM O=C(NCc1ccccc1Cl)c1c(=O)[nH]c2c(Br)cc(Br)cc2c1[O-] ZINC000009446934 555220101 /nfs/dbraw/zinc/22/01/01/555220101.db2.gz FJWIUXFWXNBGET-UHFFFAOYSA-N -1 0 486.547 4.754 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCC(=O)c3cc(C)ccc3C)ccc2OC)cc1 ZINC000009492163 555271461 /nfs/dbraw/zinc/27/14/61/555271461.db2.gz AUQPGDLQLWJLGT-UHFFFAOYSA-N -1 0 496.585 4.723 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2cc(Br)ccc2Br)cc1Cl ZINC000009493175 555274660 /nfs/dbraw/zinc/27/46/60/555274660.db2.gz XQKWFZCFGBMUSI-UHFFFAOYSA-N -1 0 455.555 4.674 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(CSc3nc4ccccc4o3)nc2c1 ZINC000009540577 555333685 /nfs/dbraw/zinc/33/36/85/555333685.db2.gz UVGYCESPHMGQRF-UHFFFAOYSA-N -1 0 466.544 4.806 50 0 JJAARM Cc1cccc(S(=O)(=O)Nc2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)c1 ZINC000009662774 555369454 /nfs/dbraw/zinc/36/94/54/555369454.db2.gz GTPMHGKQUXOOGM-UHFFFAOYSA-N -1 0 464.996 4.867 50 0 JJAARM Cc1ccc(CNC(=O)Nc2ccc3sc([N-]S(=O)(=O)c4ccccc4)nc3c2)cc1 ZINC000013361398 555386963 /nfs/dbraw/zinc/38/69/63/555386963.db2.gz NPTSDFLXKDNNIP-UHFFFAOYSA-N -1 0 452.561 4.727 50 0 JJAARM COc1ccc(Br)cc1C(=O)NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000009581501 555388215 /nfs/dbraw/zinc/38/82/15/555388215.db2.gz CKRRRMZFPPIDPA-UHFFFAOYSA-N -1 0 450.141 4.597 50 0 JJAARM COC(=O)c1ccc([C@H]2c3c(n[nH]c3-c3ccc(C)cc3)C(=O)N2c2ccc(C(=O)[O-])cc2)cc1 ZINC000009679121 555404325 /nfs/dbraw/zinc/40/43/25/555404325.db2.gz CALYJMXHYSTCDZ-DEOSSOPVSA-N -1 0 467.481 4.620 50 0 JJAARM C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000013494979 555406795 /nfs/dbraw/zinc/40/67/95/555406795.db2.gz MWROAICJVWBDCV-CYBMUJFWSA-N -1 0 464.385 4.836 50 0 JJAARM CCSc1nnc2c(n1)O[C@@H](c1ccc(C(=O)[O-])cc1)Nc1ccc(Br)cc1-2 ZINC000009601855 555427088 /nfs/dbraw/zinc/42/70/88/555427088.db2.gz MTEHHLWDNBSDMW-INIZCTEOSA-N -1 0 459.325 4.614 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccccc2F)ccc1N1CCCCC1 ZINC000009728615 555462877 /nfs/dbraw/zinc/46/28/77/555462877.db2.gz FANZFQYJDFSIPK-UHFFFAOYSA-N -1 0 483.565 4.878 50 0 JJAARM CCc1cccc(C)c1N1C(=O)C[C@H](Sc2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)C1=O ZINC000013578823 555517442 /nfs/dbraw/zinc/51/74/42/555517442.db2.gz FVSVBCNLYIODHX-QFIPXVFZSA-N -1 0 488.565 4.932 50 0 JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)N4CC=C(c5ccccc5)CC4)c3=O)c2c1 ZINC000009971092 555568614 /nfs/dbraw/zinc/56/86/14/555568614.db2.gz AYUIAENMDKBTHP-UHFFFAOYSA-N -1 0 474.586 4.645 50 0 JJAARM O=C(NCCc1c[nH]c2ccc(F)cc12)c1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000013684262 555578242 /nfs/dbraw/zinc/57/82/42/555578242.db2.gz BSJUUPLUVAXYAF-UHFFFAOYSA-N -1 0 494.573 4.690 50 0 JJAARM Cc1ccccc1-n1c([O-])c([C@H]2OCc3cnc(C)c(O)c32)c(=O)n(-c2ccccc2C)c1=S ZINC000013712383 555589737 /nfs/dbraw/zinc/58/97/37/555589737.db2.gz ACLCUOBKCUOZME-QHCPKHFHSA-N -1 0 473.554 4.709 50 0 JJAARM CCc1c([O-])nc(SCC(=O)Nc2ccc(Br)cc2)n(C2CCCCC2)c1=O ZINC000013957319 555661529 /nfs/dbraw/zinc/66/15/29/555661529.db2.gz YTONMZUOMHSUNR-UHFFFAOYSA-N -1 0 466.401 4.510 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)ccc1C ZINC000014092915 555685583 /nfs/dbraw/zinc/68/55/83/555685583.db2.gz GQQLBIVMSYADBB-QFIPXVFZSA-N -1 0 496.585 4.615 50 0 JJAARM CCCCCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c1 ZINC000010381902 555702147 /nfs/dbraw/zinc/70/21/47/555702147.db2.gz QMJXYBQVHGWHSF-UHFFFAOYSA-N -1 0 468.579 4.716 50 0 JJAARM CCC(NCCC(c1ccccc1)c1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O ZINC000020289534 555760936 /nfs/dbraw/zinc/76/09/36/555760936.db2.gz PCTHJBGIGYFWTJ-OCEACIFDSA-N -1 0 483.568 4.754 50 0 JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCCC(=O)NCc4ccc(F)cc4)c3=O)c2c1 ZINC000020329036 555774863 /nfs/dbraw/zinc/77/48/63/555774863.db2.gz NPCMVDNQYZKHSD-UHFFFAOYSA-N -1 0 468.554 4.565 50 0 JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(Cc4ccc(C(=O)NCCc5ccc(C)cc5)cc4)c3=O)c2c1 ZINC000020331236 555776244 /nfs/dbraw/zinc/77/62/44/555776244.db2.gz WOXGZNNYXJRVOC-UHFFFAOYSA-N -1 0 498.608 4.878 50 0 JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(Cc4ccc(C(=O)NCCc5cccc(C)c5)cc4)c3=O)c2c1 ZINC000020331239 555776252 /nfs/dbraw/zinc/77/62/52/555776252.db2.gz BYPWHLYQSQZRMY-UHFFFAOYSA-N -1 0 498.608 4.878 50 0 JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)N[C@@H]4CCC[C@@H](C)[C@@H]4C)c3=O)c2c1 ZINC000020331388 555776607 /nfs/dbraw/zinc/77/66/07/555776607.db2.gz QZYYJTASRLKQIG-RVKKMQEKSA-N -1 0 456.612 4.660 50 0 JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)NC4CCCCCCC4)c3=O)c2c1 ZINC000020331535 555776947 /nfs/dbraw/zinc/77/69/47/555776947.db2.gz YRSNRAICRKGKTB-UHFFFAOYSA-N -1 0 456.612 4.948 50 0 JJAARM COc1ccccc1NC(=O)C1=C([O-])c2ccccc2N(Cc2ccc(Cl)cc2)S1(=O)=O ZINC000020558756 555810156 /nfs/dbraw/zinc/81/01/56/555810156.db2.gz LNXZCUQZLDPGQS-UHFFFAOYSA-N -1 0 470.934 4.564 50 0 JJAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)cc2)c1C ZINC000011916125 555867233 /nfs/dbraw/zinc/86/72/33/555867233.db2.gz WEIZAPZTENOAJF-UHFFFAOYSA-N -1 0 472.910 4.653 50 0 JJAARM COc1cc(OC)c([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)cc1OC ZINC000015082383 555873252 /nfs/dbraw/zinc/87/32/52/555873252.db2.gz RLYJLJUNHXBAPJ-AWEZNQCLSA-N -1 0 457.479 4.752 50 0 JJAARM COc1cc(OC)c([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)cc1OC ZINC000015082385 555873340 /nfs/dbraw/zinc/87/33/40/555873340.db2.gz RLYJLJUNHXBAPJ-CQSZACIVSA-N -1 0 457.479 4.752 50 0 JJAARM CC(C)(C)OC(=O)N1CCC[C@H]([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])C1 ZINC000015446404 555909457 /nfs/dbraw/zinc/90/94/57/555909457.db2.gz XENRQNWROSXSPT-GAJHUEQPSA-N -1 0 480.561 4.625 50 0 JJAARM CCOc1ccccc1NC(=O)CSc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000022530169 555931483 /nfs/dbraw/zinc/93/14/83/555931483.db2.gz NARUTYMEFUWOSL-UHFFFAOYSA-N -1 0 450.516 4.767 50 0 JJAARM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000012180349 555934686 /nfs/dbraw/zinc/93/46/86/555934686.db2.gz UTWDZNFSYVTJRS-UHFFFAOYSA-N -1 0 450.560 4.788 50 0 JJAARM CCOC(=O)C1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Cl)cc2)CC1 ZINC000022851944 555958830 /nfs/dbraw/zinc/95/88/30/555958830.db2.gz DXDJEMXYVKKVSW-GOSISDBHSA-N -1 0 486.981 4.774 50 0 JJAARM [O-]c1c([C@@H](c2ccccc2F)N2CCN(c3ccc(F)cc3)CC2)sc2nc(-c3ccco3)nn12 ZINC000022852157 555959193 /nfs/dbraw/zinc/95/91/93/555959193.db2.gz NPMXOOGZNCIIRZ-OAQYLSRUSA-N -1 0 493.539 4.946 50 0 JJAARM Cc1cccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCN(c3ccccc3)CC2)c1 ZINC000022852336 555959646 /nfs/dbraw/zinc/95/96/46/555959646.db2.gz DTLRUDSNRGMILF-JOCHJYFZSA-N -1 0 471.586 4.976 50 0 JJAARM COc1cccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCN(c3ccccc3)CC2)c1 ZINC000022852469 555959905 /nfs/dbraw/zinc/95/99/05/555959905.db2.gz GLZYAVAWCPBLAE-QFIPXVFZSA-N -1 0 487.585 4.677 50 0 JJAARM CCc1nc2sc([C@H](c3cccc(F)c3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000022854768 555961503 /nfs/dbraw/zinc/96/15/03/555961503.db2.gz YDBXRLPTEWITQN-FQEVSTJZSA-N -1 0 471.989 4.763 50 0 JJAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2cc(Cl)ccc2Cl)[n-]c1=O ZINC000015729193 555969652 /nfs/dbraw/zinc/96/96/52/555969652.db2.gz ZFKDFTWMMZRGAW-UHFFFAOYSA-N -1 0 492.388 4.939 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)CCc4ccccc4)cc3s2)cc1 ZINC000015729304 555969948 /nfs/dbraw/zinc/96/99/48/555969948.db2.gz UZFLRKWTKGKPRZ-UHFFFAOYSA-N -1 0 451.573 4.977 50 0 JJAARM O=C([O-])c1cccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccc(Br)cc2)c1 ZINC000015767462 555986250 /nfs/dbraw/zinc/98/62/50/555986250.db2.gz XMTZYOWLXBONQB-DEDYPNTBSA-N -1 0 465.303 4.557 50 0 JJAARM COc1ccc(/C=C(/NC(=O)c2ccc(Br)cc2)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000015768243 555986815 /nfs/dbraw/zinc/98/68/15/555986815.db2.gz IIWZUKNGGKTPSJ-KGENOOAVSA-N -1 0 495.329 4.566 50 0 JJAARM COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C(=O)[O-])cc2)cc1 ZINC000015768785 555987438 /nfs/dbraw/zinc/98/74/38/555987438.db2.gz DZNMONHQFQZZQO-NRFANRHFSA-N -1 0 463.873 4.830 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000012536101 556008929 /nfs/dbraw/zinc/00/89/29/556008929.db2.gz VOVDOBHXBFKTDM-UHFFFAOYSA-N -1 0 481.357 4.690 50 0 JJAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4c(C)nn(CC(C)C)c4s3)cc2)c1C ZINC000012541732 556016253 /nfs/dbraw/zinc/01/62/53/556016253.db2.gz TWIOIBKZMKNNKX-UHFFFAOYSA-N -1 0 487.607 4.720 50 0 JJAARM COc1ccc(NC(=O)CCc2c(C)noc2C)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000012541772 556016452 /nfs/dbraw/zinc/01/64/52/556016452.db2.gz RJKKWPXLEKYPBP-UHFFFAOYSA-N -1 0 498.388 4.979 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)/C=C/c2cccc(F)c2)ccc1N1CCCC1 ZINC000012542708 556018132 /nfs/dbraw/zinc/01/81/32/556018132.db2.gz KIJJNHXGDJRTMH-SDNWHVSQSA-N -1 0 495.576 4.887 50 0 JJAARM Cc1nc2sc([C@H](c3ccc(Br)cc3)N3CCc4ccccc4C3)c([O-])n2n1 ZINC000023157072 556025496 /nfs/dbraw/zinc/02/54/96/556025496.db2.gz SPGJRWOIDROVKE-SFHVURJKSA-N -1 0 455.381 4.715 50 0 JJAARM Cc1nc2sc([C@@H](c3ccc(F)cc3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000023157536 556025803 /nfs/dbraw/zinc/02/58/03/556025803.db2.gz JTAAKTNYNTYBBX-LJQANCHMSA-N -1 0 457.962 4.509 50 0 JJAARM Cc1nc2sc([C@H](c3cccc(Cl)c3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000023157787 556026234 /nfs/dbraw/zinc/02/62/34/556026234.db2.gz BTBPTKJDMAUCOI-IBGZPJMESA-N -1 0 457.962 4.509 50 0 JJAARM COc1ccc(C(=O)N(Cc2ccccc2F)C2CC2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000012552142 556034613 /nfs/dbraw/zinc/03/46/13/556034613.db2.gz XGVDAOYUIHRRAK-UHFFFAOYSA-N -1 0 468.550 4.748 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)COc4ccccc4)cc3C)s2)cc1 ZINC000015862060 556034792 /nfs/dbraw/zinc/03/47/92/556034792.db2.gz WYXXSSQRYNXCSV-UHFFFAOYSA-N -1 0 467.572 4.731 50 0 JJAARM Cc1cc(C)n(CCC(=O)Nc2cc3sc([N-]S(=O)(=O)c4ccc(C)cc4)nc3c(C)c2)n1 ZINC000015862057 556034825 /nfs/dbraw/zinc/03/48/25/556034825.db2.gz LCGHGLHMEWKMFW-UHFFFAOYSA-N -1 0 483.619 4.556 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)c4n[nH]c5c4CCCC5)cc3C)s2)cc1 ZINC000015862053 556034842 /nfs/dbraw/zinc/03/48/42/556034842.db2.gz PUCXQAYYEFIOHD-UHFFFAOYSA-N -1 0 481.603 4.568 50 0 JJAARM CC(C)(C)c1ccc(OC(=O)CSc2nc(-c3ccc(Cl)cc3)nc3cc(=O)[nH]n32)cc1 ZINC000015862897 556036196 /nfs/dbraw/zinc/03/61/96/556036196.db2.gz XBMARXOKFDRNCL-UHFFFAOYSA-N -1 0 468.966 4.733 50 0 JJAARM C[C@H](c1ccccc1)N(C)C(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000023261089 556036923 /nfs/dbraw/zinc/03/69/23/556036923.db2.gz LIMOWABRUIUPLK-QGZVFWFLSA-N -1 0 486.977 4.517 50 0 JJAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(-c2nc3ccccc3n2C(F)F)cc1 ZINC000012560228 556051879 /nfs/dbraw/zinc/05/18/79/556051879.db2.gz ZMSWSCYTEILUSG-UHFFFAOYSA-N -1 0 463.487 4.747 50 0 JJAARM CCOc1ccc2oc(C)c(C(=O)Nc3ccc(S(=O)(=O)[N-]c4onc(C)c4C)cc3)c2c1 ZINC000015880517 556052455 /nfs/dbraw/zinc/05/24/55/556052455.db2.gz NFYRAMLHWKRLAE-UHFFFAOYSA-N -1 0 469.519 4.798 50 0 JJAARM COc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000012560947 556053814 /nfs/dbraw/zinc/05/38/14/556053814.db2.gz PEPUYQRKDBOSLJ-UHFFFAOYSA-N -1 0 478.492 4.753 50 0 JJAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(-c2ccc(N3CCCCCC3)nn2)cc1 ZINC000015882139 556055281 /nfs/dbraw/zinc/05/52/81/556055281.db2.gz GXBFOKBCQNNWHF-UHFFFAOYSA-N -1 0 452.580 4.642 50 0 JJAARM Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000012565436 556062297 /nfs/dbraw/zinc/06/22/97/556062297.db2.gz YIPXGRQDCMHEFI-QGZVFWFLSA-N -1 0 455.507 4.672 50 0 JJAARM Cc1ccc(Cl)cc1NC(=O)c1cc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])ccc1N1CCOCC1 ZINC000015919253 556066672 /nfs/dbraw/zinc/06/66/72/556066672.db2.gz YPRHTEIDDMORNO-VQTJNVASSA-N -1 0 499.995 4.567 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(NC(=O)[C@@H](C)Sc2ccccc2)c1 ZINC000012585063 556082774 /nfs/dbraw/zinc/08/27/74/556082774.db2.gz BSIGRWDOJIMUOP-QGZVFWFLSA-N -1 0 456.589 4.924 50 0 JJAARM CSCC[C@@H](NC(=O)Cc1c(C)c2cc3c(oc(C)c3-c3ccccc3)c(C)c2oc1=O)C(=O)[O-] ZINC000015955874 556088094 /nfs/dbraw/zinc/08/80/94/556088094.db2.gz JUYWZKJTQZTNOT-OAQYLSRUSA-N -1 0 493.581 4.996 50 0 JJAARM COc1cccc(-n2c3nc(SCC(=O)Nc4c(C)cccc4C)[n-]c(=O)c3sc2=S)c1 ZINC000016846269 556168122 /nfs/dbraw/zinc/16/81/22/556168122.db2.gz MXJXFFJWTSCWAQ-UHFFFAOYSA-N -1 0 484.628 4.861 50 0 JJAARM O=C(CCc1csc([N-]S(=O)(=O)c2ccc(F)cc2)n1)Nc1ccc(OC(F)(F)F)cc1 ZINC000016848427 556170090 /nfs/dbraw/zinc/17/00/90/556170090.db2.gz OQEPFUBCMQLBCO-UHFFFAOYSA-N -1 0 489.472 4.553 50 0 JJAARM Cc1ccc(S(=O)(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3Cl)c2)cc1C ZINC000025048581 556173873 /nfs/dbraw/zinc/17/38/73/556173873.db2.gz BSRNPRBFVTWQMX-UHFFFAOYSA-N -1 0 450.969 4.558 50 0 JJAARM CCCn1nc([N-]S(=O)(=O)c2ccc(Br)cc2)c2cc3cc(C)ccc3nc21 ZINC000016957035 556187957 /nfs/dbraw/zinc/18/79/57/556187957.db2.gz AGYNJCOUPDSZJH-UHFFFAOYSA-N -1 0 459.369 4.866 50 0 JJAARM Cc1ccc(S(=O)(=O)N2CCCc3ccc([N-]S(=O)(=O)c4ccc(Cl)s4)cc32)cc1 ZINC000017050680 556211373 /nfs/dbraw/zinc/21/13/73/556211373.db2.gz ZIKZGYGULNJEIQ-UHFFFAOYSA-N -1 0 483.036 4.652 50 0 JJAARM CC(C)CCOc1ccc(/C=C(\C(=O)[O-])c2ccc(S(=O)(=O)N3CCCCC3)s2)cc1 ZINC000013060740 556256281 /nfs/dbraw/zinc/25/62/81/556256281.db2.gz TVSZKFCBLCBEIA-SILNSSARSA-N -1 0 463.621 4.973 50 0 JJAARM Cc1ccccc1S(=O)(=O)[N-]c1nc2ccccc2nc1N[C@H](c1nccn1C)c1ccccc1 ZINC000017590128 556262411 /nfs/dbraw/zinc/26/24/11/556262411.db2.gz UBYLPVCQBLXALN-QHCPKHFHSA-N -1 0 484.585 4.674 50 0 JJAARM CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000018061636 556281937 /nfs/dbraw/zinc/28/19/37/556281937.db2.gz ATHOVTVQXVQWNU-CYXNTTPDSA-N -1 0 472.541 4.925 50 0 JJAARM CCc1ccc(-c2nc(C(=O)[N-]N3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)cs2)cc1 ZINC000013116151 556323695 /nfs/dbraw/zinc/32/36/95/556323695.db2.gz DBXIFKQIBSISGU-UHFFFAOYSA-N -1 0 482.565 4.513 50 0 JJAARM O=C([O-])c1cccc(NC(=O)c2nc(SCc3ccccc3F)ncc2Br)c1 ZINC000028293326 556329631 /nfs/dbraw/zinc/32/96/31/556329631.db2.gz GTRXNJSPUNLECV-UHFFFAOYSA-N -1 0 462.300 4.621 50 0 JJAARM Cc1ccc(Nc2ccccc2[N-]S(=O)(=O)c2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000031666294 556401562 /nfs/dbraw/zinc/40/15/62/556401562.db2.gz AXGSIYHHNKZXGS-UHFFFAOYSA-N -1 0 452.504 4.536 50 0 JJAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3oc(C(C)C)nc3c2)c(Br)c1 ZINC000032097564 556415894 /nfs/dbraw/zinc/41/58/94/556415894.db2.gz LTXMBBYUHSNVPH-UHFFFAOYSA-N -1 0 467.341 4.691 50 0 JJAARM O=C([O-])[C@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)N1CCN(Cc2cccs2)CC1 ZINC000032106372 556417874 /nfs/dbraw/zinc/41/78/74/556417874.db2.gz ZSJBEXXCVDTVCX-VWLOTQADSA-N -1 0 461.587 4.752 50 0 JJAARM O=C([N-]c1nc(-c2ccc(Br)s2)ns1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000032593506 556447620 /nfs/dbraw/zinc/44/76/20/556447620.db2.gz GOVAIBVTNSCQPG-UHFFFAOYSA-N -1 0 491.348 4.708 50 0 JJAARM COc1ccc(-c2cc(C(=O)[N-]c3nc(-c4ccc(Br)s4)ns3)no2)cc1 ZINC000032593752 556447926 /nfs/dbraw/zinc/44/79/26/556447926.db2.gz TXLFXEWEWJVIBX-UHFFFAOYSA-N -1 0 463.338 4.945 50 0 JJAARM Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)[n-]c2=O)cc1 ZINC000032778602 556492960 /nfs/dbraw/zinc/49/29/60/556492960.db2.gz DPEXAWZQKBIPOG-UHFFFAOYSA-N -1 0 454.861 4.956 50 0 JJAARM O=C(c1cc(Br)cc(Br)c1[O-])N1CCC(OCc2ccccc2)CC1 ZINC000032853792 556511238 /nfs/dbraw/zinc/51/12/38/556511238.db2.gz KREVWQCAUCPNGK-UHFFFAOYSA-N -1 0 469.173 4.739 50 0 JJAARM O=C([O-])c1ccc(N2CCN(c3ccccc3F)CC2)c(NC(=O)c2ccc(Br)cc2)c1 ZINC000032947138 556562589 /nfs/dbraw/zinc/56/25/89/556562589.db2.gz LXXLGDLZRXDAKC-UHFFFAOYSA-N -1 0 498.352 4.865 50 0 JJAARM COc1cccc(CNC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)[n-]2)c1 ZINC000032948475 556564027 /nfs/dbraw/zinc/56/40/27/556564027.db2.gz UUCIXONYFLPLEH-UHFFFAOYSA-N -1 0 484.628 4.643 50 0 JJAARM COc1ccc(C)cc1NC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2C)c(=O)[n-]1 ZINC000032948483 556564032 /nfs/dbraw/zinc/56/40/32/556564032.db2.gz HODVNKQMLCFTMO-UHFFFAOYSA-N -1 0 484.628 4.861 50 0 JJAARM Cc1ccc(-n2c3nc(SCC(=O)NCCC4=CCCCC4)[n-]c(=O)c3sc2=S)cc1 ZINC000032948649 556564615 /nfs/dbraw/zinc/56/46/15/556564615.db2.gz QTXSBWHHPIBSMG-UHFFFAOYSA-N -1 0 472.661 4.912 50 0 JJAARM Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4cccc(C)c4C)CC3)c(C(=O)[O-])c2)c(C)c1 ZINC000032961633 556578461 /nfs/dbraw/zinc/57/84/61/556578461.db2.gz GCUMAWPBTLGRHS-UHFFFAOYSA-N -1 0 493.629 4.746 50 0 JJAARM Cc1ccc(C)c(N2CCN(c3ccc(NS(=O)(=O)c4ccc(C)c(C)c4)cc3C(=O)[O-])CC2)c1 ZINC000032961639 556578468 /nfs/dbraw/zinc/57/84/68/556578468.db2.gz JJMLHUFWDVUFKU-UHFFFAOYSA-N -1 0 493.629 4.746 50 0 JJAARM CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(C(=O)[O-])cc1)c1ccccc21 ZINC000008439334 562939331 /nfs/dbraw/zinc/93/93/31/562939331.db2.gz XQKICVOICWEGPA-UHFFFAOYSA-N -1 0 453.472 4.570 50 0 JJAARM Cc1ccc(C)c(NC(=O)c2ccc3c([O-])c(S(=O)(=O)c4ccc(Cl)cc4)c(=O)[nH]c3c2)c1 ZINC000008589527 562942105 /nfs/dbraw/zinc/94/21/05/562942105.db2.gz VSBKADQMZLMVNO-UHFFFAOYSA-N -1 0 482.945 4.589 50 0 JJAARM COc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3)C(=O)N2c2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000008595562 562943875 /nfs/dbraw/zinc/94/38/75/562943875.db2.gz YMJLVWURSFGNGP-DEOSSOPVSA-N -1 0 455.470 4.542 50 0 JJAARM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccco4)c3[C@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000008595823 562944258 /nfs/dbraw/zinc/94/42/58/562944258.db2.gz SROCSVCAABASIM-XMMPIXPASA-N -1 0 473.485 4.701 50 0 JJAARM COC(=O)c1cc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000039698563 563136814 /nfs/dbraw/zinc/13/68/14/563136814.db2.gz ALNZHONMYFWNJK-UHFFFAOYSA-N -1 0 482.949 4.923 50 0 JJAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cc4ccc(C)cc4nc3Cl)C2)cc1 ZINC000008441223 569590268 /nfs/dbraw/zinc/59/02/68/569590268.db2.gz WIJYRCHNDXKOJQ-OAQYLSRUSA-N -1 0 451.910 4.748 50 0 JJAARM Cc1cccc(N2CCN(c3ccc(NS(=O)(=O)c4cc(C)ccc4C)cc3C(=O)[O-])C[C@@H]2C)c1 ZINC000032962117 569602907 /nfs/dbraw/zinc/60/29/07/569602907.db2.gz ASIAKNXFXXIPEJ-NRFANRHFSA-N -1 0 493.629 4.826 50 0 JJAARM Cc1cccc(N2CCN(c3ccc(C(=O)[O-])cc3NS(=O)(=O)c3cc(F)ccc3C)C[C@@H]2C)c1 ZINC000032971178 569603577 /nfs/dbraw/zinc/60/35/77/569603577.db2.gz APDHSYLXKIZMPE-IBGZPJMESA-N -1 0 497.592 4.657 50 0 JJAARM Cc1cccc(N2CCN(c3ccc(C(=O)[O-])cc3NS(=O)(=O)c3cccc(C)c3)C[C@@H]2C)c1 ZINC000032971180 569603685 /nfs/dbraw/zinc/60/36/85/569603685.db2.gz NBMSWFAKCRGFNT-FQEVSTJZSA-N -1 0 479.602 4.518 50 0 JJAARM CCCc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4ccccc4F)CC3)cc2C(=O)[O-])cc1 ZINC000033007095 569615204 /nfs/dbraw/zinc/61/52/04/569615204.db2.gz FMYYHGGETCPWNB-UHFFFAOYSA-N -1 0 497.592 4.604 50 0 JJAARM CC(C)C(=O)Nc1ccc2nc(N3CCN(c4cccc(Cl)c4)CC3)cc(C(=O)[O-])c2c1 ZINC000033010353 569616665 /nfs/dbraw/zinc/61/66/65/569616665.db2.gz HISWWXRNCREWJG-UHFFFAOYSA-N -1 0 452.942 4.508 50 0 JJAARM Cc1ccc(Cl)cc1N1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)C4CCC4)ccc3n2)CC1 ZINC000033010419 569616679 /nfs/dbraw/zinc/61/66/79/569616679.db2.gz XTMIBKWXLYDWKL-UHFFFAOYSA-N -1 0 478.980 4.960 50 0 JJAARM COc1ccccc1C(=O)Nc1ccc(N2CCN(c3cc(Cl)ccc3C)CC2)cc1C(=O)[O-] ZINC000064590172 569621345 /nfs/dbraw/zinc/62/13/45/569621345.db2.gz FMODIIDDHKUSCR-UHFFFAOYSA-N -1 0 479.964 4.934 50 0 JJAARM Cc1ccc(CC(=O)Nc2ccc(N3CCN(c4ccc(Cl)cc4)CC3)cc2C(=O)[O-])cc1 ZINC000064590428 569621489 /nfs/dbraw/zinc/62/14/89/569621489.db2.gz QEEOHXVGKXZVHA-UHFFFAOYSA-N -1 0 463.965 4.854 50 0 JJAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)[n-]c1=O ZINC000064687481 569623812 /nfs/dbraw/zinc/62/38/12/569623812.db2.gz AIMOQSFVUPCNCD-UHFFFAOYSA-N -1 0 492.388 4.857 50 0 JJAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(SCC(=O)Nc2cc(Cl)ccc2Cl)[n-]c1=O ZINC000064687484 569623828 /nfs/dbraw/zinc/62/38/28/569623828.db2.gz DWVVYCBEZLHUHO-UHFFFAOYSA-N -1 0 492.388 4.857 50 0 JJAARM CC(C)C(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)[n-]c1=O ZINC000064687505 569623836 /nfs/dbraw/zinc/62/38/36/569623836.db2.gz CBFWBHYCOQAZKA-UHFFFAOYSA-N -1 0 492.388 4.876 50 0 JJAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(SCC(=O)Nc2cc(Cl)ccc2C)[n-]c1=O ZINC000064774468 569626355 /nfs/dbraw/zinc/62/63/55/569626355.db2.gz LHDVFSCCYCXXFI-UHFFFAOYSA-N -1 0 471.970 4.512 50 0 JJAARM Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3NC(=O)C(C)C)c(=O)[n-]2)cc1Cl ZINC000064774566 569626687 /nfs/dbraw/zinc/62/66/87/569626687.db2.gz AADIECQKXHLQLM-UHFFFAOYSA-N -1 0 471.970 4.531 50 0 JJAARM CC[C@@H](Sc1nnc(-c2cc(C)cc(C)c2NC(C)=O)c(=O)[n-]1)C(=O)Nc1cccc(C)c1C ZINC000064774553 569626729 /nfs/dbraw/zinc/62/67/29/569626729.db2.gz PIWMMAKELNDYSZ-HXUWFJFHSA-N -1 0 479.606 4.946 50 0 JJAARM COc1cc(OC)c([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)cc1OC ZINC000064796007 569630162 /nfs/dbraw/zinc/63/01/62/569630162.db2.gz BQFHPYKTQAWLMQ-HNNXBMFYSA-N -1 0 453.516 4.922 50 0 JJAARM CCCn1nc(C)cc1CN(C)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Br)cc1 ZINC000064820727 569636209 /nfs/dbraw/zinc/63/62/09/569636209.db2.gz WXNRAIBKLULREP-UHFFFAOYSA-N -1 0 485.382 4.951 50 0 JJAARM O=C1N(Cc2cc(F)ccc2F)CCCN1c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000034737617 569654505 /nfs/dbraw/zinc/65/45/05/569654505.db2.gz XHPFVONXLPFZCS-UHFFFAOYSA-N -1 0 457.502 4.598 50 0 JJAARM CC[C@@H](C)Oc1ccc(-c2nnc(CCC(=O)NCc3cccc(C(F)(F)F)c3)c(=O)[n-]2)cc1 ZINC000034763655 569658053 /nfs/dbraw/zinc/65/80/53/569658053.db2.gz GAGZNLANAFPEAV-OAHLLOKOSA-N -1 0 474.483 4.689 50 0 JJAARM Cc1nnc2c(Oc3ccc([N-]S(=O)(=O)c4ccccc4Cl)cc3)nc3ccccc3n12 ZINC000065096439 569660864 /nfs/dbraw/zinc/66/08/64/569660864.db2.gz DIRQKSBDJVTSQY-UHFFFAOYSA-N -1 0 465.922 4.832 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3nc(C)c(C(=O)N4CCCC4)s3)cs2)cc1Cl ZINC000065116997 569666843 /nfs/dbraw/zinc/66/68/43/569666843.db2.gz VVMIPYYVAHLCAG-UHFFFAOYSA-N -1 0 498.051 4.879 50 0 JJAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cn2C)sc1C(=O)N1CCCC1 ZINC000065137361 569668094 /nfs/dbraw/zinc/66/80/94/569668094.db2.gz BUYGFAZJDPGJGR-UHFFFAOYSA-N -1 0 498.552 4.513 50 0 JJAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(C)c3C)cn2C)sc1C(=O)N1CCCCC1 ZINC000065137480 569668333 /nfs/dbraw/zinc/66/83/33/569668333.db2.gz CNSCWBSIAHFHIW-UHFFFAOYSA-N -1 0 472.636 4.501 50 0 JJAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CCCSc3ccc(Cl)cc3)cc2)no1 ZINC000035177667 569677479 /nfs/dbraw/zinc/67/74/79/569677479.db2.gz IQHUTMDBVCFOHL-UHFFFAOYSA-N -1 0 465.984 4.948 50 0 JJAARM O=C(CSc1nc([O-])cc(=O)n1-c1ccc(Cl)cc1)Nc1ccc2c3c(cccc31)CC2 ZINC000035363182 569682512 /nfs/dbraw/zinc/68/25/12/569682512.db2.gz VLUGSFZFLWYOSB-UHFFFAOYSA-N -1 0 463.946 4.574 50 0 JJAARM CCC(=O)Nc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)[n-]c1=O ZINC000035377987 569685594 /nfs/dbraw/zinc/68/55/94/569685594.db2.gz CQWOGCBPHZHJRG-MRXNPFEDSA-N -1 0 465.579 4.637 50 0 JJAARM Cc1ccc(S(=O)(=O)Nc2cnc(N3CC=C(c4ccccc4C)CC3)c(C(=O)[O-])c2)c(C)c1 ZINC000035397794 569688364 /nfs/dbraw/zinc/68/83/64/569688364.db2.gz XOXVTYFKCJQUEW-UHFFFAOYSA-N -1 0 477.586 4.800 50 0 JJAARM CCOc1ccc2nc(Cl)c([C@@H]3CC(c4ccc(F)cc4)=NN3C(=O)CCC(=O)[O-])cc2c1 ZINC000069375112 569692931 /nfs/dbraw/zinc/69/29/31/569692931.db2.gz DUOVNXSNSORCNV-NRFANRHFSA-N -1 0 469.900 4.969 50 0 JJAARM O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)nc2)cc1 ZINC000069977622 569694425 /nfs/dbraw/zinc/69/44/25/569694425.db2.gz ZCJIYJLEONDJIH-UHFFFAOYSA-N -1 0 489.340 4.527 50 0 JJAARM Cc1nc2cccnc2n1C1CCN(c2ccc(NC(=O)c3ccccc3C)cc2C(=O)[O-])CC1 ZINC000035451206 569696756 /nfs/dbraw/zinc/69/67/56/569696756.db2.gz GQOFGTUERUZSTC-UHFFFAOYSA-N -1 0 469.545 4.840 50 0 JJAARM CCOc1ccc([N-]S(=O)(=O)c2c3oc(C(=O)N4CCCC4)c(C)c3cc(C)c2C)cc1 ZINC000035512837 569698658 /nfs/dbraw/zinc/69/86/58/569698658.db2.gz GQFYZKYTWDIYLU-UHFFFAOYSA-N -1 0 456.564 4.794 50 0 JJAARM COc1ccccc1-c1[n-]n(-c2ccc(C)cc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(C)cc2)C1=O ZINC000035829454 569712906 /nfs/dbraw/zinc/71/29/06/569712906.db2.gz GRCPGIBCOYPYCQ-JLPGSUDCSA-N -1 0 494.551 4.963 50 0 JJAARM O=S(=O)([N-]c1ccc(Br)cc1F)c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1 ZINC000085664667 569714810 /nfs/dbraw/zinc/71/48/10/569714810.db2.gz YTYFYCLXHYHJLD-UHFFFAOYSA-N -1 0 470.267 4.859 50 0 JJAARM Cc1cc(=O)n2nc(CN(C(=O)C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc3)[n-]c2n1 ZINC000086066773 569717642 /nfs/dbraw/zinc/71/76/42/569717642.db2.gz SWPLZGJJJDYSJA-UHFFFAOYSA-N -1 0 483.959 4.745 50 0 JJAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CCSc3ccccc3Cl)cc2)nc(C)n1 ZINC000089599388 569719016 /nfs/dbraw/zinc/71/90/16/569719016.db2.gz RYOGADHKFDPCFO-UHFFFAOYSA-N -1 0 477.011 4.669 50 0 JJAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cc4ccc(C)cc4nc3Cl)C2)c(OC)c1 ZINC000089665920 569719550 /nfs/dbraw/zinc/71/95/50/569719550.db2.gz SILBFNOWHIOYJO-OAQYLSRUSA-N -1 0 481.936 4.756 50 0 JJAARM O=C([O-])/C(=C\C(=O)Nc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cc1)c1ccccc1 ZINC000095537411 569725864 /nfs/dbraw/zinc/72/58/64/569725864.db2.gz GJEQVHGFEOZEFK-MOHJPFBDSA-N -1 0 461.949 4.773 50 0 JJAARM COc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccccc5)oc4c32)c(OC)c1OC ZINC000096115177 569734297 /nfs/dbraw/zinc/73/42/97/569734297.db2.gz BHIKRVFJIGDZEN-INIZCTEOSA-N -1 0 474.465 4.632 50 0 biogenic JJAARM COC(=O)C[C@@H](c1coc2ccc(C)cc2c1=O)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096115176 569734328 /nfs/dbraw/zinc/73/43/28/569734328.db2.gz YYAQERBHFOKGLQ-IBGZPJMESA-N -1 0 498.487 4.981 50 0 biogenic JJAARM CCc1[n-]n(-c2cc(C)ccc2C)c(=O)c1C1=C(N2CCCCC2)C(=O)N(c2ccc(F)cc2)C1=O ZINC000035961235 569736950 /nfs/dbraw/zinc/73/69/50/569736950.db2.gz YEWVQPHHHXYJLP-UHFFFAOYSA-N -1 0 488.563 4.667 50 0 JJAARM Cc1ccc(N(CC(=O)c2ccc(Br)cc2)C(=O)c2ccccc2C(=O)[O-])cc1 ZINC000096580277 569741691 /nfs/dbraw/zinc/74/16/91/569741691.db2.gz YEQLGYDZHFSMOV-UHFFFAOYSA-N -1 0 452.304 4.985 50 0 JJAARM CC(C)c1ccc2c(c1)[C@@]1(CC(=O)Nc3c1sc(C(=O)[O-])c3-c1ccccc1F)C(=O)N2C ZINC000036358051 569772080 /nfs/dbraw/zinc/77/20/80/569772080.db2.gz HVUBBMPBKQISHF-RUZDIDTESA-N -1 0 464.518 4.981 50 0 JJAARM O=S(=O)([N-]c1nc2n(n1)[C@H](c1ccccc1)CC(c1ccccc1)=N2)c1ccc(Cl)cc1 ZINC000101019400 569779680 /nfs/dbraw/zinc/77/96/80/569779680.db2.gz GYCZHUOMKZTYPD-NRFANRHFSA-N -1 0 463.950 4.788 50 0 JJAARM COc1cc(NC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(Cl)cc5)nc-4c3c2)cc(OC)c1 ZINC000101827729 569805405 /nfs/dbraw/zinc/80/54/05/569805405.db2.gz FTWHLURNSQWGAF-UHFFFAOYSA-N -1 0 474.904 4.742 50 0 JJAARM Cc1oc(-c2ccc(Cl)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(C(C)C)cc3)c(=O)c1=2 ZINC000102479123 569813511 /nfs/dbraw/zinc/81/35/11/569813511.db2.gz OAOXZHQWUFOCFL-NHCUHLMSSA-N -1 0 463.925 4.920 50 0 JJAARM Cc1oc(-c2ccc(Cl)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(C(C)C)cc3)c(=O)c1=2 ZINC000102479118 569813527 /nfs/dbraw/zinc/81/35/27/569813527.db2.gz OAOXZHQWUFOCFL-SFTDATJTSA-N -1 0 463.925 4.920 50 0 JJAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2ccncc2)c1 ZINC000040050702 569814985 /nfs/dbraw/zinc/81/49/85/569814985.db2.gz LGNGWUCSGMSVRF-NRFANRHFSA-N -1 0 471.966 4.522 50 0 JJAARM O=S(=O)([N-]c1ccc(N2CCCC2)c(F)c1)c1cc(Br)ccc1Br ZINC000040152657 569820281 /nfs/dbraw/zinc/82/02/81/569820281.db2.gz WAEQQDRYZRYCJG-UHFFFAOYSA-N -1 0 478.181 4.752 50 0 JJAARM CC(=O)N1c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3C)c(Br)cc2C[C@H]1C ZINC000040450645 569828768 /nfs/dbraw/zinc/82/87/68/569828768.db2.gz OBIGJQRBMVSMKX-SNVBAGLBSA-N -1 0 457.777 4.509 50 0 JJAARM O=C([O-])[C@H](NC(=O)C(=O)c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)c1ccccc1 ZINC000040545896 569830230 /nfs/dbraw/zinc/83/02/30/569830230.db2.gz SXXJGQVRFAGQSP-JOCHJYFZSA-N -1 0 480.442 4.833 50 0 JJAARM O=C([O-])c1cc(I)ccc1N[C@@H]1C(=O)O[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000103020845 569831901 /nfs/dbraw/zinc/83/19/01/569831901.db2.gz FJHCODMFLLSCDN-HKBOAZHASA-N -1 0 499.304 4.852 50 0 JJAARM COc1ccc(C2C(=O)C(=O)N(CCc3ccc(OC)c(OC)c3)[C@@H]2c2ccc(C(=O)[O-])cc2)cc1 ZINC000045942061 569840729 /nfs/dbraw/zinc/84/07/29/569840729.db2.gz MIVGIZAJBSAHHZ-RUZDIDTESA-N -1 0 489.524 4.506 50 0 JJAARM CC(C)(C)OC(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000052508224 569852390 /nfs/dbraw/zinc/85/23/90/569852390.db2.gz IOLBCFZNMMGGCA-KSFYIVLOSA-N -1 0 466.534 4.583 50 0 JJAARM CCc1c(-c2ccc(F)cc2)nn2c1N[C@H](c1ccccc1)[C@@H](c1ccccc1)[C@@]2(O)C(=O)[O-] ZINC000106937073 569855868 /nfs/dbraw/zinc/85/58/68/569855868.db2.gz PDLMORCYLKVRMX-LSCGWGKXSA-N -1 0 457.505 4.932 50 0 JJAARM CCc1cccc(C)c1N1C(=O)C[C@@H](Sc2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)C1=O ZINC000113562364 569861912 /nfs/dbraw/zinc/86/19/12/569861912.db2.gz FVSVBCNLYIODHX-JOCHJYFZSA-N -1 0 488.565 4.932 50 0 JJAARM COc1cccc2cc([C@H]3CC(c4ccc(F)cc4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc21 ZINC000170612623 569872856 /nfs/dbraw/zinc/87/28/56/569872856.db2.gz ZQVPHKCDGHBFNS-GOSISDBHSA-N -1 0 455.873 4.578 50 0 JJAARM COc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccccc4)=NN32)c(C(=O)[O-])c1OC ZINC000226325846 570037503 /nfs/dbraw/zinc/03/75/03/570037503.db2.gz DXVSFRSZKJGQIK-DFBJGRDBSA-N -1 0 460.486 4.653 50 0 JJAARM COc1cc(/C=C/C(=O)[O-])cc(I)c1OCc1ccc(Br)cc1 ZINC000226337202 570037606 /nfs/dbraw/zinc/03/76/06/570037606.db2.gz ASSLLHLOJQVFHX-QPJJXVBHSA-N -1 0 489.103 4.739 50 0 JJAARM COC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4Cl)[C@H]3C2=O)cc1 ZINC000238881772 570047141 /nfs/dbraw/zinc/04/71/41/570047141.db2.gz BHDBMIZMDLRZTN-YPAWHYETSA-N -1 0 497.334 4.831 50 0 JJAARM CCOC(=O)c1ccc(N2C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000238950206 570048239 /nfs/dbraw/zinc/04/82/39/570048239.db2.gz XCAQZBSZLIKKDG-DNVJHFABSA-N -1 0 476.916 4.568 50 0 JJAARM O=C([O-])c1ccc(CNCc2nn(Cc3c(F)cccc3Cl)nc2-c2ccccc2)cc1 ZINC000247397160 570068131 /nfs/dbraw/zinc/06/81/31/570068131.db2.gz MKSIGICXDSSMJV-UHFFFAOYSA-N -1 0 450.901 4.774 50 0 JJAARM Cc1cc2nc3sc(=Cc4ccc(-c5cc(Cl)ccc5C(=O)[O-])o4)c(=O)n3c2cc1C ZINC000252670705 570092199 /nfs/dbraw/zinc/09/21/99/570092199.db2.gz LMRGNZKOTSPMQT-UHFFFAOYSA-N -1 0 450.903 4.685 50 0 JJAARM 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COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1OC ZINC000001051561 194010404 /nfs/dbraw/zinc/01/04/04/194010404.db2.gz BPNRXRHUJUXOOG-UHFFFAOYSA-N -1 0 460.939 4.719 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Oc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1 ZINC000001046657 194008767 /nfs/dbraw/zinc/00/87/67/194008767.db2.gz YSPWNAFSOAMGSQ-UHFFFAOYSA-N -1 0 452.410 4.678 50 0 JJAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CSc3ccc(C)cc3)cc2)c1 ZINC000001166860 194058249 /nfs/dbraw/zinc/05/82/49/194058249.db2.gz SVJSNVAKHGTNQS-UHFFFAOYSA-N -1 0 472.588 4.544 50 0 JJAARM COc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000001157783 194053471 /nfs/dbraw/zinc/05/34/71/194053471.db2.gz JARAUZUTBOYPSG-UHFFFAOYSA-N -1 0 485.363 4.945 50 0 JJAARM COc1ccc(NC(=O)CSc2nc([O-])c(Cc3ccccc3)c(=O)n2-c2ccc(C)cc2)cc1 ZINC000001203198 194069210 /nfs/dbraw/zinc/06/92/10/194069210.db2.gz DWBVGXOXDOSZFE-UHFFFAOYSA-N -1 0 487.581 4.577 50 0 JJAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)n1 ZINC000001233949 194077475 /nfs/dbraw/zinc/07/74/75/194077475.db2.gz OIAWLVOIAQZIRX-UHFFFAOYSA-N -1 0 458.543 4.814 50 0 JJAARM O=C([O-])c1[nH]c2ccc(OCc3ccccc3)cc2c1CCCN1C(=O)c2ccccc2C1=O ZINC000001251368 194079988 /nfs/dbraw/zinc/07/99/88/194079988.db2.gz RWPHZDRARKWIJM-UHFFFAOYSA-N -1 0 454.482 4.674 50 0 JJAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1cc(NC(=O)c3ccc4ccccc4c3O)ccc1Cl)C2=O ZINC000001508503 194126563 /nfs/dbraw/zinc/12/65/63/194126563.db2.gz XUAWMXNTQAJGIJ-UHFFFAOYSA-N -1 0 486.867 4.950 50 0 JJAARM C[C@H]1CCc2cc(F)cc3c([O-])c(Cc4c([O-])c5cc(F)cc6c5n(c4=O)[C@@H](C)CC6)c(=O)n1c23 ZINC000002520601 194162085 /nfs/dbraw/zinc/16/20/85/194162085.db2.gz GTKRFPJKUIWEMM-STQMWFEESA-N -1 0 478.495 4.611 50 0 JJAARM CCc1cccc(CC)c1NC(=O)[C@@H](CC)Sc1nc2ccsc2c(=O)n1CCC(=O)[O-] ZINC000002932571 194173671 /nfs/dbraw/zinc/17/36/71/194173671.db2.gz GESZPZUULJCXIX-QGZVFWFLSA-N -1 0 473.620 4.567 50 0 JJAARM Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000002993002 194196954 /nfs/dbraw/zinc/19/69/54/194196954.db2.gz SEOGYIAFHAQLNQ-UHFFFAOYSA-N -1 0 474.951 4.813 50 0 JJAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccccc1Br)c1cccs1 ZINC000003170759 194234057 /nfs/dbraw/zinc/23/40/57/194234057.db2.gz TZQFXRHUOPBXQB-UHFFFAOYSA-N -1 0 461.366 4.998 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2cccc(Br)c2)c1 ZINC000003217593 194241202 /nfs/dbraw/zinc/24/12/02/194241202.db2.gz CIRQMEHXPRXHLC-UHFFFAOYSA-N -1 0 461.337 4.511 50 0 JJAARM COC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000003207492 194239208 /nfs/dbraw/zinc/23/92/08/194239208.db2.gz ZXEUCXBJEOIHIN-UHFFFAOYSA-N -1 0 479.341 4.833 50 0 JJAARM COc1ccc2nc([N-]S(=O)(=O)c3cc(Br)ccc3Br)sc2c1 ZINC000003316043 194278562 /nfs/dbraw/zinc/27/85/62/194278562.db2.gz AFDZUXVQPFTMDW-UHFFFAOYSA-N -1 0 478.187 4.631 50 0 JJAARM O=C(c1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1)N1CCN(c2ccccc2)CC1 ZINC000003411334 194315831 /nfs/dbraw/zinc/31/58/31/194315831.db2.gz PIQKEKDQOJYNTG-UHFFFAOYSA-N -1 0 496.441 4.818 50 0 JJAARM CCOc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)cc(Br)c1OCc1ccc(C)cc1 ZINC000003642647 194347490 /nfs/dbraw/zinc/34/74/90/194347490.db2.gz VSVHGFDNWLSQST-QFBILLFUSA-N -1 0 452.370 4.523 50 0 JJAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)n1 ZINC000003947392 194366916 /nfs/dbraw/zinc/36/69/16/194366916.db2.gz WATFSHZUZYQSOM-UHFFFAOYSA-N -1 0 472.570 4.665 50 0 JJAARM CCOc1ccc(-c2cc3nc(C4CCN(C(=O)OC(C)(C)C)CC4)c(C(=O)[O-])cn3n2)cc1 ZINC000004100087 194377200 /nfs/dbraw/zinc/37/72/00/194377200.db2.gz ZFQFJBZVTBQNFP-UHFFFAOYSA-N -1 0 466.538 4.608 50 0 JJAARM CC(C)(C)OC(=O)N[C@H](C[C@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000004284386 194387068 /nfs/dbraw/zinc/38/70/68/194387068.db2.gz VJLMKRMQAHWPID-UZUQRXQVSA-N -1 0 480.561 4.768 50 0 JJAARM COc1cccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(OC)c(OC)c2C(=O)[O-])c1 ZINC000009033374 194507605 /nfs/dbraw/zinc/50/76/05/194507605.db2.gz RDCLOEQUFWXZFR-RXFWQSSRSA-N -1 0 490.512 4.662 50 0 biogenic JJAARM COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(-c2ccc(Br)cc2)o1 ZINC000009111530 194531592 /nfs/dbraw/zinc/53/15/92/194531592.db2.gz BMSYAOGOJXKMNP-UHFFFAOYSA-N -1 0 475.320 4.543 50 0 JJAARM CCc1cccc(OCC(=O)Nc2ccc(C(=O)[O-])cc2NC(=O)COc2cccc(CC)c2)c1 ZINC000009287813 194662848 /nfs/dbraw/zinc/66/28/48/194662848.db2.gz CZNXXWHIHPDXBJ-UHFFFAOYSA-N -1 0 476.529 4.545 50 0 JJAARM CCCOc1ccc(C(C)=O)cc1CC1C(=O)N=C(SCc2cc(C(C)=O)ccc2OC)N=C1[O-] ZINC000009360083 194712854 /nfs/dbraw/zinc/71/28/54/194712854.db2.gz OAHMGRZLFDQZIA-UHFFFAOYSA-N -1 0 496.585 4.974 50 0 JJAARM CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(Cl)c2)C1=O ZINC000009892622 195016314 /nfs/dbraw/zinc/01/63/14/195016314.db2.gz OPYLFLYUKYYUQR-MDBUFAAASA-N -1 0 489.933 4.605 50 0 JJAARM CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)C(=O)[C@H]12 ZINC000009968547 195041338 /nfs/dbraw/zinc/04/13/38/195041338.db2.gz LLMWJBZTHJLJTR-YKUCYRFJSA-N -1 0 457.913 4.999 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)CCSc2ccc(F)cc2)c1 ZINC000009957307 195037169 /nfs/dbraw/zinc/03/71/69/195037169.db2.gz MKIWSSKOAHYZQE-UHFFFAOYSA-N -1 0 460.552 4.756 50 0 JJAARM CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)C(=O)[C@@H]12 ZINC000009968545 195041307 /nfs/dbraw/zinc/04/13/07/195041307.db2.gz LLMWJBZTHJLJTR-XDJZYPBNSA-N -1 0 457.913 4.999 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)c1 ZINC000012630898 195062881 /nfs/dbraw/zinc/06/28/81/195062881.db2.gz QMLYKZZXNPQOID-MRXNPFEDSA-N -1 0 481.599 4.939 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)ccc1C ZINC000012630906 195062931 /nfs/dbraw/zinc/06/29/31/195062931.db2.gz GMQNJGQGPAQGMF-UHFFFAOYSA-N -1 0 482.558 4.622 50 0 JJAARM Cc1ccc(Nc2nc3cc4c(cc3nc2[N-]S(=O)(=O)c2ccccc2)OCCO4)cc1C ZINC000012636332 195067985 /nfs/dbraw/zinc/06/79/85/195067985.db2.gz QANTWSSSXDJVER-UHFFFAOYSA-N -1 0 462.531 4.562 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000012772910 195118991 /nfs/dbraw/zinc/11/89/91/195118991.db2.gz SJUOKOIEOFUTLN-UHFFFAOYSA-N -1 0 465.358 4.984 50 0 JJAARM Cc1coc2cc3oc(=O)c(CC(=O)NC[C@H](CC(=O)[O-])c4ccc(Cl)cc4)c(C)c3cc12 ZINC000012893608 195174227 /nfs/dbraw/zinc/17/42/27/195174227.db2.gz FDQMRIOHTIALND-INIZCTEOSA-N -1 0 467.905 4.727 50 0 biogenic JJAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1CCc1nc2ccccc2n1C ZINC000021357093 195297936 /nfs/dbraw/zinc/29/79/36/195297936.db2.gz ZROXHVGZHMIUOG-UHFFFAOYSA-N -1 0 455.967 4.821 50 0 JJAARM O=C([O-])[C@@H](O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1C(F)(F)F ZINC000008700600 518201476 /nfs/dbraw/zinc/20/14/76/518201476.db2.gz VTZSCIBZLDKSIY-VXKWHMMOSA-N -1 0 471.431 4.731 50 0 JJAARM CC(=O)c1ccc(N2CCN(c3ccc(NC(=O)c4cccc(Cl)c4)c(C(=O)[O-])c3)CC2)cc1 ZINC000045967810 518352672 /nfs/dbraw/zinc/35/26/72/518352672.db2.gz FRVDBKPWQMZONF-UHFFFAOYSA-N -1 0 477.948 4.820 50 0 JJAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(Br)cc2-c2ccccc2)C[C@H]1C(=O)[O-] ZINC000042783102 518816782 /nfs/dbraw/zinc/81/67/82/518816782.db2.gz KCMUWRSJGZGCRP-WMZOPIPTSA-N -1 0 462.340 4.958 50 0 JJAARM CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)s1 ZINC000033306478 519702416 /nfs/dbraw/zinc/70/24/16/519702416.db2.gz MFPDBYNOFXYDNM-SOFGYWHQSA-N -1 0 482.381 4.737 50 0 JJAARM CC(=O)Nc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2sc(NC(=O)c3ccccc3)nc2c1 ZINC000033116463 519714305 /nfs/dbraw/zinc/71/43/05/519714305.db2.gz AZZJLYSLOZNBCZ-UHFFFAOYSA-N -1 0 480.571 4.616 50 0 JJAARM CCCCCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C(=O)[O-])c3ccccc32)cc1 ZINC000006472273 520256698 /nfs/dbraw/zinc/25/66/98/520256698.db2.gz LHMICCDGFSGTEI-GSMJDOOGSA-N -1 0 481.548 4.891 50 0 JJAARM CCN(CC)C(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4ccc(F)cc4F)ccc3n2C)cc1 ZINC000033277032 520546266 /nfs/dbraw/zinc/54/62/66/520546266.db2.gz FTUWCNIZYPZZPP-UHFFFAOYSA-N -1 0 498.555 4.801 50 0 JJAARM CCOC(=O)CCN(Cc1ccccc1)c1ccc(NC(=O)c2ccc(OC)cc2)cc1C(=O)[O-] ZINC000046053683 520677155 /nfs/dbraw/zinc/67/71/55/520677155.db2.gz GZHACYOMSSVRFT-UHFFFAOYSA-N -1 0 476.529 4.606 50 0 JJAARM CCC[C@@H](NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000016361006 520759541 /nfs/dbraw/zinc/75/95/41/520759541.db2.gz BUJSDNCGRMNZNC-VBSWXYJSSA-N -1 0 499.706 4.949 50 0 JJAARM CCOc1ccc(NC(=O)[C@@H](CC)Sc2nnc(-c3cc(C)ccc3NC(=O)CC)c(=O)[n-]2)cc1 ZINC000021882700 521102281 /nfs/dbraw/zinc/10/22/81/521102281.db2.gz GSOCRGKYENKSIX-HXUWFJFHSA-N -1 0 495.605 4.809 50 0 JJAARM CCOC(=O)[C@@H]1CCCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4ccc(Cl)cc4)ccc3n2)C1 ZINC000045967857 521120624 /nfs/dbraw/zinc/12/06/24/521120624.db2.gz UBDPKVOJUMGVJR-MRXNPFEDSA-N -1 0 481.936 4.618 50 0 JJAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)C3CC3)c(Cl)cc2Cl)cc1 ZINC000009378511 521130792 /nfs/dbraw/zinc/13/07/92/521130792.db2.gz QWXUBFZZUGEZSC-LBPRGKRZSA-N -1 0 457.379 4.721 50 0 JJAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(SCc2cccc(Br)c2)[n-]c1=O ZINC000021882699 521201325 /nfs/dbraw/zinc/20/13/25/521201325.db2.gz RAXANBAKZZWQNS-UHFFFAOYSA-N -1 0 459.369 4.956 50 0 JJAARM CCOc1ccc(S(=O)(=O)Nc2ccc(N(CC)Cc3ccccc3)c(C(=O)[O-])c2)cc1 ZINC000033253328 521209595 /nfs/dbraw/zinc/20/95/95/521209595.db2.gz KMJZJZPRFKHUOL-UHFFFAOYSA-N -1 0 454.548 4.611 50 0 JJAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000006143034 521214371 /nfs/dbraw/zinc/21/43/71/521214371.db2.gz GJQHNVRWMOADRT-IBGZPJMESA-N -1 0 452.576 4.637 50 0 JJAARM CCOc1ccccc1N1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)CC(C)C)ccc3n2)CC1 ZINC000033260705 521518934 /nfs/dbraw/zinc/51/89/34/521518934.db2.gz USXANPDKTQOHGD-UHFFFAOYSA-N -1 0 476.577 4.643 50 0 JJAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(/C=C\c2onc(C)c2NC(C)=O)ccc1C ZINC000033170598 521553877 /nfs/dbraw/zinc/55/38/77/521553877.db2.gz KWIOMRUSQRUQGT-SEYXRHQNSA-N -1 0 455.536 4.620 50 0 JJAARM CCCn1nc(C)cc1CN(C)c1ccc(NC(=O)c2ccc(Br)cc2)cc1C(=O)[O-] ZINC000046053644 521669414 /nfs/dbraw/zinc/66/94/14/521669414.db2.gz QUKGWSDDLJWSFU-UHFFFAOYSA-N -1 0 485.382 4.951 50 0 JJAARM COC(=O)c1ccccc1NC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CC[C@H](C(C)(C)C)C2 ZINC000002984234 522282233 /nfs/dbraw/zinc/28/22/33/522282233.db2.gz TTWCFXZCJLSMOP-AWEZNQCLSA-N -1 0 486.590 4.741 50 0 JJAARM CCc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000022854891 522534486 /nfs/dbraw/zinc/53/44/86/522534486.db2.gz YHQKNDTYMFCGLZ-HXUWFJFHSA-N -1 0 471.989 4.763 50 0 JJAARM CCc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000022854509 522534755 /nfs/dbraw/zinc/53/47/55/522534755.db2.gz REFMCQIHKQGMFZ-HXUWFJFHSA-N -1 0 453.999 4.624 50 0 JJAARM COc1cc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)cc(OC)c1OC ZINC000065004710 522754843 /nfs/dbraw/zinc/75/48/43/522754843.db2.gz ISLSCIIOSLNCKK-UHFFFAOYSA-N -1 0 464.565 4.887 50 0 JJAARM COc1ccc(-c2cnn3c2nc(C)cc3C)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000033298119 523155900 /nfs/dbraw/zinc/15/59/00/523155900.db2.gz QVFUVVKTOXVZCE-UHFFFAOYSA-N -1 0 487.379 4.585 50 0 JJAARM CCn1c(CSc2nc3ccccc3c(=O)n2-c2ccccc2F)nc2cc(C(=O)[O-])ccc21 ZINC000002659468 523202804 /nfs/dbraw/zinc/20/28/04/523202804.db2.gz SHMDJCSMNMETMG-UHFFFAOYSA-N -1 0 474.517 4.885 50 0 JJAARM CN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000033253903 523355295 /nfs/dbraw/zinc/35/52/95/523355295.db2.gz AWQNMDRQEOPUDG-UHFFFAOYSA-N -1 0 475.364 4.585 50 0 JJAARM COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000033170660 523437279 /nfs/dbraw/zinc/43/72/79/523437279.db2.gz UJSZONUNFKNRAM-FLIBITNWSA-N -1 0 455.536 4.538 50 0 JJAARM COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1 ZINC000033170651 523438754 /nfs/dbraw/zinc/43/87/54/523438754.db2.gz DYIKGZZFSIFGOP-YFHOEESVSA-N -1 0 475.954 4.883 50 0 JJAARM COc1ccc(C(=O)Nc2ccc(N3CCN(c4cccc(C)c4)[C@@H](C)C3)c(C(=O)[O-])c2)cc1 ZINC000033078602 523751496 /nfs/dbraw/zinc/75/14/96/523751496.db2.gz ZGEBWRDQXVKFFF-IBGZPJMESA-N -1 0 459.546 4.669 50 0 JJAARM COc1ccc(NC(=O)c2cc3cccc(OC)c3o/c2=N\c2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000004471765 524629421 /nfs/dbraw/zinc/62/94/21/524629421.db2.gz DHHASEJVOZQNDT-RFBIWTDZSA-N -1 0 474.469 4.642 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4cccc(F)c4)no3)sc2C)cc1OC ZINC000046141482 524686436 /nfs/dbraw/zinc/68/64/36/524686436.db2.gz IEAXCVKHAWKULW-UHFFFAOYSA-N -1 0 475.523 4.731 50 0 JJAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(Br)cc1 ZINC000006146632 525002361 /nfs/dbraw/zinc/00/23/61/525002361.db2.gz IVPLXVVZQLRLQI-UHFFFAOYSA-N -1 0 463.328 4.950 50 0 JJAARM C[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000023441289 525240382 /nfs/dbraw/zinc/24/03/82/525240382.db2.gz SKGFVUONSOVMRP-HNNXBMFYSA-N -1 0 464.465 4.877 50 0 JJAARM Cc1ccc(OCC(=O)Nc2cc(NC(=O)COc3ccc(C)c(C)c3)cc(C(=O)[O-])c2)cc1C ZINC000001178241 525394105 /nfs/dbraw/zinc/39/41/05/525394105.db2.gz LRKNRBSIVXRSIW-UHFFFAOYSA-N -1 0 476.529 4.653 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)CCc4nc5ccccc5[nH]4)cc3s2)cc1 ZINC000033252792 525617908 /nfs/dbraw/zinc/61/79/08/525617908.db2.gz VGTVBZPEUVEJFS-UHFFFAOYSA-N -1 0 491.598 4.853 50 0 JJAARM Cc1ccc(S(=O)(=O)c2[n-]c(-c3ccccc3)nc2SCC(=O)NCc2ccccc2)cc1 ZINC000012252365 525633693 /nfs/dbraw/zinc/63/36/93/525633693.db2.gz FRIPTCNCUNQOEN-UHFFFAOYSA-N -1 0 477.611 4.626 50 0 JJAARM Cc1ccc(Sc2cc3c(cc2[N-]S(=O)(=O)c2cc(C)ccc2C)n(C)c(=O)n3C)cc1 ZINC000045941219 525671433 /nfs/dbraw/zinc/67/14/33/525671433.db2.gz ZVBMCPBQYYHNLE-UHFFFAOYSA-N -1 0 467.616 4.754 50 0 JJAARM Cc1c2oc3c(c2cc2c(C)c(CCC(=O)N[C@@H](Cc4ccccc4)C(=O)[O-])c(=O)oc12)CCCC3 ZINC000002096866 525997528 /nfs/dbraw/zinc/99/75/28/525997528.db2.gz LPGNBCUFMMMJOE-QHCPKHFHSA-N -1 0 487.552 4.780 50 0 biogenic JJAARM Cc1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(NCc3ccc4c(c3)OCO4)nc2c1 ZINC000016348355 526253921 /nfs/dbraw/zinc/25/39/21/526253921.db2.gz KGDYJLWGJYRJFY-UHFFFAOYSA-N -1 0 482.949 4.733 50 0 JJAARM [O-]c1c([C@H](c2ccc(F)cc2)N2CCN(c3ccccc3)CC2)sc2nc(-c3ccco3)nn12 ZINC000022852243 526332602 /nfs/dbraw/zinc/33/26/02/526332602.db2.gz SGLMWDSFZQHVNM-NRFANRHFSA-N -1 0 475.549 4.807 50 0 JJAARM [O-]c1c([C@H](c2ccccc2F)N2CCN(Cc3ccccc3)CC2)sc2nc(-c3ccco3)nn12 ZINC000022795344 526332880 /nfs/dbraw/zinc/33/28/80/526332880.db2.gz ABDTTWFBMWZJLU-QFIPXVFZSA-N -1 0 489.576 4.803 50 0 JJAARM O=C([O-])c1cc(N2CCN(c3ccccc3)CC2)nc2ccc(NC(=O)c3ccccc3F)cc21 ZINC000033260642 526348463 /nfs/dbraw/zinc/34/84/63/526348463.db2.gz SYEQAMABDSQKHJ-UHFFFAOYSA-N -1 0 470.504 4.651 50 0 JJAARM O=C([O-])c1cc(N2CCN(c3ccccc3F)CC2)nc2ccc(NC(=O)C3CCCC3)cc21 ZINC000033260898 526348539 /nfs/dbraw/zinc/34/85/39/526348539.db2.gz AMXWWCNCTHZCOH-UHFFFAOYSA-N -1 0 462.525 4.527 50 0 JJAARM O=C([O-])c1cc(N2CCN(c3ccc(Cl)cc3)CC2)nc2ccc(NC(=O)C3CCC3)cc21 ZINC000033260873 526348645 /nfs/dbraw/zinc/34/86/45/526348645.db2.gz OWZDDDNKNZTYIC-UHFFFAOYSA-N -1 0 464.953 4.652 50 0 JJAARM O=C([O-])c1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1CCN(c2ccc(F)cc2)CC1 ZINC000033078624 526351586 /nfs/dbraw/zinc/35/15/86/526351586.db2.gz PZLYGNVISYIBHQ-UHFFFAOYSA-N -1 0 453.901 4.756 50 0 JJAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2nc(SCC(=O)Nc3ccc(C)cc3)sc2c1 ZINC000021798345 526557263 /nfs/dbraw/zinc/55/72/63/526557263.db2.gz GENMXFRILPVRIM-UHFFFAOYSA-N -1 0 488.616 4.741 50 0 JJAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)cc2)c1C ZINC000005941599 526640943 /nfs/dbraw/zinc/64/09/43/526640943.db2.gz BYRMKWZDRCCEBG-QGZVFWFLSA-N -1 0 471.579 4.796 50 0 JJAARM Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)[O-])c(C)c3cc2c1C ZINC000002152311 526780788 /nfs/dbraw/zinc/78/07/88/526780788.db2.gz CUAQFXVLDHTMTG-QHCPKHFHSA-N -1 0 486.524 4.690 50 0 biogenic JJAARM Cc1nc2sc([C@H](c3ccccc3F)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000022627089 527206749 /nfs/dbraw/zinc/20/67/49/527206749.db2.gz UPRKLKCTBMSYBT-IBGZPJMESA-N -1 0 457.962 4.509 50 0 JJAARM O=C([O-])[C@@H](CCC(=O)OCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002564719 527643775 /nfs/dbraw/zinc/64/37/75/527643775.db2.gz HJJURMMMGPQIQP-XMMPIXPASA-N -1 0 459.498 4.502 50 0 JJAARM O=C([O-])[C@@H](NC(=O)C(=O)c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)c1ccccc1 ZINC000040545894 527650516 /nfs/dbraw/zinc/65/05/16/527650516.db2.gz SXXJGQVRFAGQSP-QFIPXVFZSA-N -1 0 480.442 4.833 50 0 JJAARM Cc1c2cc(Cl)c(C)cc2oc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1 ZINC000000634073 553720187 /nfs/dbraw/zinc/72/01/87/553720187.db2.gz TZLLOSFQKCSFBF-UHFFFAOYSA-N -1 0 470.938 4.855 50 0 JJAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(C(C)C)cc3)cc2)nc(C)n1 ZINC000000656068 553736325 /nfs/dbraw/zinc/73/63/25/553736325.db2.gz SMEXRRBRKXOSFG-VGOFMYFVSA-N -1 0 450.564 4.670 50 0 JJAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(Br)cc3)cc2)c1C ZINC000000673010 553746453 /nfs/dbraw/zinc/74/64/53/553746453.db2.gz DEISKWRUVWQTIF-LFYBBSHMSA-N -1 0 476.352 4.507 50 0 JJAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2)n1 ZINC000000934385 553872952 /nfs/dbraw/zinc/87/29/52/553872952.db2.gz ZNUGSHLMTDPGBK-UHFFFAOYSA-N -1 0 474.542 4.939 50 0 JJAARM O=C([O-])CSc1nnc(COc2cccc3cccnc32)n1-c1cccc(C(F)(F)F)c1 ZINC000000938826 553875826 /nfs/dbraw/zinc/87/58/26/553875826.db2.gz HVXDOBVSEYXLBV-UHFFFAOYSA-N -1 0 460.437 4.590 50 0 JJAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)n1 ZINC000000945484 553879343 /nfs/dbraw/zinc/87/93/43/553879343.db2.gz BFAPAKFYWAYDFH-UHFFFAOYSA-N -1 0 458.952 4.706 50 0 JJAARM CCc1c([O-])nc(SCC(=O)Nc2ccc(N(CC)CC)cc2C)n(-c2ccc(F)cc2)c1=O ZINC000001175563 553926046 /nfs/dbraw/zinc/92/60/46/553926046.db2.gz LEOMKLJUPRKEBQ-UHFFFAOYSA-N -1 0 484.597 4.525 50 0 JJAARM O=C([O-])c1cccc(NC(=S)N[C@@H](NC(=O)c2cccc3ccccc32)C(Cl)(Cl)Cl)c1 ZINC000001232956 553936304 /nfs/dbraw/zinc/93/63/04/553936304.db2.gz HCPSEKMCDNWKSK-LJQANCHMSA-N -1 0 496.803 4.951 50 0 JJAARM Cc1oc2c(cc3c(C)c(CC(=O)N[C@H](Cc4ccc(Cl)cc4)C(=O)[O-])c(=O)oc3c2C)c1C ZINC000002096995 554041103 /nfs/dbraw/zinc/04/11/03/554041103.db2.gz UCEJHYIZTPOBNE-OAQYLSRUSA-N -1 0 481.932 4.781 50 0 biogenic JJAARM CSCC[C@H](NC(=O)CCc1c(C)c2cc3c(C(C)(C)C)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002117833 554053951 /nfs/dbraw/zinc/05/39/51/554053951.db2.gz LALMIQJLZNYACA-IBGZPJMESA-N -1 0 473.591 4.709 50 0 biogenic JJAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@H](C(=O)[O-])c1ccccc1)occ3-c1ccccc1 ZINC000002155613 554072215 /nfs/dbraw/zinc/07/22/15/554072215.db2.gz XYMKQHJNIWUQLY-SANMLTNESA-N -1 0 467.477 4.999 50 0 biogenic JJAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H](C(=O)[O-])c1ccccc1)occ3-c1ccccc1 ZINC000002155617 554072236 /nfs/dbraw/zinc/07/22/36/554072236.db2.gz XYMKQHJNIWUQLY-AREMUKBSSA-N -1 0 467.477 4.999 50 0 biogenic JJAARM Cc1c2oc3c(c2cc2c(C)c(CC(=O)NCC4CCC(C(=O)[O-])CC4)c(=O)oc12)CCCC3 ZINC000002156140 554072636 /nfs/dbraw/zinc/07/26/36/554072636.db2.gz AXNYNLOTTCIXQJ-UHFFFAOYSA-N -1 0 465.546 4.585 50 0 biogenic JJAARM O=C([O-])COc1ccc(Br)cc1/C=C1\SC(=O)N(c2cccc(Cl)c2)C1=O ZINC000002164882 554075316 /nfs/dbraw/zinc/07/53/16/554075316.db2.gz DTRSQNDJQFMMFS-CHHVJCJISA-N -1 0 468.712 4.807 50 0 JJAARM O=C([O-])COc1ccc(Br)cc1/C=C1\SC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000002165216 554075509 /nfs/dbraw/zinc/07/55/09/554075509.db2.gz UTUGUFJAHXZQRP-NVNXTCNLSA-N -1 0 468.712 4.807 50 0 JJAARM O=C(NC(=S)Nc1ccc2oc(-c3ccc([O-])c(Br)c3)nc2c1)c1ccco1 ZINC000002259410 554120953 /nfs/dbraw/zinc/12/09/53/554120953.db2.gz MNMHURWHVWFQJQ-UHFFFAOYSA-N -1 0 458.293 4.683 50 0 JJAARM COc1cc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC ZINC000002331859 554151686 /nfs/dbraw/zinc/15/16/86/554151686.db2.gz WOVNPMQGYQUPQI-UHFFFAOYSA-N -1 0 480.546 4.508 50 0 JJAARM COC(=O)c1c2c(sc1Nc1nc3ccccc3nc1[N-]S(=O)(=O)c1ccccc1)CCCC2 ZINC000002372577 554171568 /nfs/dbraw/zinc/17/15/68/554171568.db2.gz PEBCLDNWUUCGIB-UHFFFAOYSA-N -1 0 494.598 4.901 50 0 JJAARM CCc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000002407042 554189068 /nfs/dbraw/zinc/18/90/68/554189068.db2.gz JUSBNHITQIWXNW-UHFFFAOYSA-N -1 0 462.560 4.741 50 0 JJAARM O=S(=O)([N-]c1nc2ccccc2nc1NCCC1=CCCCC1)c1cccc2nsnc21 ZINC000002408996 554190607 /nfs/dbraw/zinc/19/06/07/554190607.db2.gz NEVUXMNHBQSNFW-UHFFFAOYSA-N -1 0 466.592 4.738 50 0 JJAARM Cc1cc2occ(CC(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)c2cc1C(C)C ZINC000002648651 554265328 /nfs/dbraw/zinc/26/53/28/554265328.db2.gz JTQFKDKEVFKENY-UHFFFAOYSA-N -1 0 464.547 4.637 50 0 JJAARM Cc1cc(C(F)(F)F)nn1Cc1nnc([N-]c2ccn(Cc3ccccc3Cl)n2)s1 ZINC000002730634 554314625 /nfs/dbraw/zinc/31/46/25/554314625.db2.gz CJTSDAIYNNRECN-UHFFFAOYSA-N -1 0 453.881 4.752 50 0 JJAARM Cn1nc(-c2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)cc1C(F)(F)F ZINC000002730801 554314999 /nfs/dbraw/zinc/31/49/99/554314999.db2.gz JVEAPJDLOAXWTH-UHFFFAOYSA-N -1 0 457.844 4.738 50 0 JJAARM Cc1nn(Cc2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)c(C)c1Cl ZINC000002731627 554315815 /nfs/dbraw/zinc/31/58/15/554315815.db2.gz VBXORGMERQJUOE-UHFFFAOYSA-N -1 0 452.346 4.834 50 0 JJAARM C[C@H](c1nnc([N-]c2ccn(Cc3ccccc3Cl)n2)s1)n1cc(Br)cn1 ZINC000002731629 554315900 /nfs/dbraw/zinc/31/59/00/554315900.db2.gz MFQPDTUYBGYHEA-LLVKDONJSA-N -1 0 464.780 4.748 50 0 JJAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)C3c4ccccc4Oc4ccccc43)cc2)n1 ZINC000002749993 554325819 /nfs/dbraw/zinc/32/58/19/554325819.db2.gz QGVPODQDMHDEBY-UHFFFAOYSA-N -1 0 486.553 4.771 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)c(OC)c1 ZINC000002883285 554404954 /nfs/dbraw/zinc/40/49/54/554404954.db2.gz GIEKMBRSGRZMSW-UHFFFAOYSA-N -1 0 461.927 4.802 50 0 JJAARM COc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccccc2)c3=O)cc1Cl ZINC000003631046 554467779 /nfs/dbraw/zinc/46/77/79/554467779.db2.gz DHCGDDGRJWHHSV-UHFFFAOYSA-N -1 0 451.935 4.648 50 0 JJAARM O=C(Nc1ccc(F)cc1)c1ccc2c(=O)n(Cc3cccc(Br)c3)c(=S)[n-]c2c1 ZINC000003632169 554469046 /nfs/dbraw/zinc/46/90/46/554469046.db2.gz NKJHYWILZAUPBP-UHFFFAOYSA-N -1 0 484.350 4.887 50 0 JJAARM COc1ccc(Cn2c(=O)c3ccc(C(=O)Nc4ccc(C)c(Cl)c4)cc3[n-]c2=S)cc1 ZINC000003632296 554469065 /nfs/dbraw/zinc/46/90/65/554469065.db2.gz OFXAVXVSBUUCAB-UHFFFAOYSA-N -1 0 465.962 4.956 50 0 JJAARM CCOc1cc(/C=C2/C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C)ccc1OC(=O)c1cccs1 ZINC000004641918 554478731 /nfs/dbraw/zinc/47/87/31/554478731.db2.gz ODQKSXDFRYPYQM-CPNJWEJPSA-N -1 0 476.510 4.870 50 0 JJAARM O=C(/C=C/c1c(Cl)cccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000006025842 554500655 /nfs/dbraw/zinc/50/06/55/554500655.db2.gz XBONSSBZIFKIAN-CMDGGOBGSA-N -1 0 454.360 4.903 50 0 JJAARM COc1ccc(NC(=O)CS(=O)(=O)c2nc(-c3ccc(F)cc3)[n-]c2-c2ccccc2)cc1Cl ZINC000006150561 554512194 /nfs/dbraw/zinc/51/21/94/554512194.db2.gz JPOSOYFVLQVXMP-UHFFFAOYSA-N -1 0 499.951 4.957 50 0 JJAARM CC[C@H]1CCCCN1C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000006271811 554523988 /nfs/dbraw/zinc/52/39/88/554523988.db2.gz OEEWHSDCOBCNQE-INIZCTEOSA-N -1 0 451.386 4.655 50 0 JJAARM CCN1C(=O)S/C(=C/c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C1=O ZINC000006470360 554543157 /nfs/dbraw/zinc/54/31/57/554543157.db2.gz AOILEFUNGQTNDW-LICLKQGHSA-N -1 0 492.347 4.791 50 0 JJAARM O=C([O-])[C@@H]1CC(=O)N(CCc2ccccc2)C(=Nc2ccc(OC(F)(F)Cl)cc2)S1 ZINC000008426531 554581615 /nfs/dbraw/zinc/58/16/15/554581615.db2.gz DWIUVBLOFFSPBB-INIZCTEOSA-N -1 0 454.882 4.503 50 0 JJAARM CCOC(=O)c1c(-c2cccc3ccccc32)csc1NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-] ZINC000008456113 554600226 /nfs/dbraw/zinc/60/02/26/554600226.db2.gz JDAGGLNVGHBHEU-JYRKZWEQSA-N -1 0 465.527 4.562 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2cncn2-c2ccccc2)ccc1Cl ZINC000008746321 554649530 /nfs/dbraw/zinc/64/95/30/554649530.db2.gz CGDQGSLFOHKOMG-UHFFFAOYSA-N -1 0 482.949 4.587 50 0 JJAARM Cc1nn(CC(C)C)c2sc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)nc(C)n4)cc3)cc12 ZINC000008777413 554674644 /nfs/dbraw/zinc/67/46/44/554674644.db2.gz WUOYSERGUOGKSC-UHFFFAOYSA-N -1 0 498.634 4.522 50 0 JJAARM CSCC[C@H](NC(=O)Cc1c(C)c2c3occ(-c4ccccc4)c3c(C)cc2oc1=O)C(=O)[O-] ZINC000008876881 554772075 /nfs/dbraw/zinc/77/20/75/554772075.db2.gz PZNDXQZWWQJJOK-IBGZPJMESA-N -1 0 479.554 4.688 50 0 biogenic JJAARM O=S(=O)([N-]c1nc2ccccc2nc1N1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1 ZINC000009015795 554865927 /nfs/dbraw/zinc/86/59/27/554865927.db2.gz DKCNXHOCGXTEGV-UHFFFAOYSA-N -1 0 497.983 4.550 50 0 aggregator JJAARM COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(OC)c(OC)c2C(=O)[O-])cc1 ZINC000009043578 554869718 /nfs/dbraw/zinc/86/97/18/554869718.db2.gz FADJYTMLKZWTQA-RXFWQSSRSA-N -1 0 490.512 4.662 50 0 biogenic JJAARM Cc1ccnc(O[C@H](C(=O)[O-])C(OCCc2ccccc2)(c2ccccc2)c2ccccc2)n1 ZINC000009057199 554876345 /nfs/dbraw/zinc/87/63/45/554876345.db2.gz HEMHOEFBEHZAGS-RUZDIDTESA-N -1 0 454.526 4.820 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N(c2ccccn2)[C@H](C)c2ccco2)c1 ZINC000009090614 554891480 /nfs/dbraw/zinc/89/14/80/554891480.db2.gz FRFOPNSZXQOIOX-GOSISDBHSA-N -1 0 477.542 4.892 50 0 JJAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000009096896 554895594 /nfs/dbraw/zinc/89/55/94/554895594.db2.gz FEGALPZCPCZRIJ-UHFFFAOYSA-N -1 0 452.551 4.721 50 0 JJAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CCC[C@@H]2c2cccs2)cc1 ZINC000009126885 554921248 /nfs/dbraw/zinc/92/12/48/554921248.db2.gz NAEPWTOGTKEJAS-OAQYLSRUSA-N -1 0 493.614 4.792 50 0 JJAARM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(CCC(C)C)C(=O)C(C)(C)CO3)s1 ZINC000009174209 554954937 /nfs/dbraw/zinc/95/49/37/554954937.db2.gz DAUAGQHPBHBHIB-UHFFFAOYSA-N -1 0 450.626 4.909 50 0 JJAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(CCC(C)C)C(=O)C(C)(C)CO2 ZINC000009174160 554955068 /nfs/dbraw/zinc/95/50/68/554955068.db2.gz DJSFZMDWGKZRPU-UHFFFAOYSA-N -1 0 460.596 4.602 50 0 JJAARM C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000009191831 554964246 /nfs/dbraw/zinc/96/42/46/554964246.db2.gz ZSEFNSODTGOYOO-GFCCVEGCSA-N -1 0 453.998 4.717 50 0 JJAARM C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000009191830 554964279 /nfs/dbraw/zinc/96/42/79/554964279.db2.gz ZSEFNSODTGOYOO-LBPRGKRZSA-N -1 0 453.998 4.717 50 0 JJAARM CN1C[C@@]2(Cc3c4ccccc4ccc31)C(=O)[N-]C(=O)N(c1ccc(Br)cc1)C2=O ZINC000009216033 554983985 /nfs/dbraw/zinc/98/39/85/554983985.db2.gz KLCFPVBXUQOYQC-QHCPKHFHSA-N -1 0 464.319 4.704 50 0 JJAARM COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)c(OC)c2C(=O)[O-])c(OC)c1 ZINC000009216474 554984821 /nfs/dbraw/zinc/98/48/21/554984821.db2.gz ZOAAQRWBSAYBJU-FQRUVTKNSA-N -1 0 490.512 4.662 50 0 JJAARM COc1ccc2nc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(C)cc3)sc2c1 ZINC000009354767 555119228 /nfs/dbraw/zinc/11/92/28/555119228.db2.gz TVCMTHHLWWHWTH-UHFFFAOYSA-N -1 0 453.545 4.666 50 0 JJAARM CCCCCC[C@@H](NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000009354895 555119438 /nfs/dbraw/zinc/11/94/38/555119438.db2.gz NYXBHHRBLADTBL-BCIXFCFJSA-N -1 0 456.970 4.959 50 0 JJAARM CC(C)Cn1nc([N-]S(=O)(=O)c2ccc(Br)cc2)c2cc3ccccc3nc21 ZINC000009359336 555123117 /nfs/dbraw/zinc/12/31/17/555123117.db2.gz DQYPWEYHQSVNAV-UHFFFAOYSA-N -1 0 459.369 4.804 50 0 JJAARM CSCC[C@H](NC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1)C(=O)[O-] ZINC000009422140 555187698 /nfs/dbraw/zinc/18/76/98/555187698.db2.gz SFERDHJMXDJUGH-NRFANRHFSA-N -1 0 486.037 4.647 50 0 JJAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1cccc(-c2ccc(N3CCC(C)CC3)nn2)c1 ZINC000009529533 555323765 /nfs/dbraw/zinc/32/37/65/555323765.db2.gz FVOYMVJPBJNUAV-UHFFFAOYSA-N -1 0 466.607 4.806 50 0 JJAARM COc1ccc(NC(=O)c2cc3cccc(OC)c3o/c2=N\c2ccc(C(=O)[O-])cc2)cc1OC ZINC000013139660 555336815 /nfs/dbraw/zinc/33/68/15/555336815.db2.gz AOZMUCHAVZBQHX-FVDSYPCUSA-N -1 0 474.469 4.642 50 0 JJAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc2)n1 ZINC000009546570 555342059 /nfs/dbraw/zinc/34/20/59/555342059.db2.gz FEJOIKIGZILTCY-UHFFFAOYSA-N -1 0 485.009 4.998 50 0 JJAARM CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CC3(CC(=O)[O-])CCCC3)ccc2C)cc1 ZINC000009635318 555342227 /nfs/dbraw/zinc/34/22/27/555342227.db2.gz UCFMERSJZLCFDD-UHFFFAOYSA-N -1 0 474.579 4.558 50 0 JJAARM CCCCN1Cc2cc(C(=O)c3cc(Cl)cc(CSc4ncccn4)c3[O-])cnc2NC1=O ZINC000009644623 555357424 /nfs/dbraw/zinc/35/74/24/555357424.db2.gz BXIPSYPDWCWZJZ-UHFFFAOYSA-N -1 0 483.981 4.902 50 0 JJAARM CCNc1cc(C)nc(Nc2ccc([N-]S(=O)(=O)c3cc(Cl)c(C)cc3OC)cc2)n1 ZINC000009572450 555369280 /nfs/dbraw/zinc/36/92/80/555369280.db2.gz RKBJORQJQNFLLV-UHFFFAOYSA-N -1 0 461.975 4.732 50 0 JJAARM COc1cccc(CNC(=O)Nc2ccc3sc([N-]S(=O)(=O)c4ccc(C)cc4)nc3c2)c1 ZINC000013347582 555377827 /nfs/dbraw/zinc/37/78/27/555377827.db2.gz OTGJLFYVBNIFBF-UHFFFAOYSA-N -1 0 482.587 4.736 50 0 JJAARM COC(=O)c1cccc(NC(=O)Nc2ccc3sc([N-]S(=O)(=O)c4ccc(C)cc4)nc3c2)c1 ZINC000013347617 555378009 /nfs/dbraw/zinc/37/80/09/555378009.db2.gz BTIZQLSYJZYXLQ-UHFFFAOYSA-N -1 0 496.570 4.836 50 0 JJAARM COc1cc(NC(=O)Nc2ccccc2F)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000013349536 555379867 /nfs/dbraw/zinc/37/98/67/555379867.db2.gz NOPMGLKPPDNSJR-UHFFFAOYSA-N -1 0 472.523 4.889 50 0 JJAARM COc1ccccc1NC(=O)Nc1ccc2sc([N-]S(=O)(=O)c3ccccc3)nc2c1 ZINC000013361340 555386924 /nfs/dbraw/zinc/38/69/24/555386924.db2.gz ALRBNVBPHYKUMA-UHFFFAOYSA-N -1 0 454.533 4.750 50 0 JJAARM O=S(=O)([N-]c1nc(-c2cccs2)nc2ccccc21)c1ccc(Br)s1 ZINC000009738416 555469799 /nfs/dbraw/zinc/46/97/99/555469799.db2.gz ODZRJTBVGBZDEE-UHFFFAOYSA-N -1 0 452.380 4.983 50 0 JJAARM CCOc1cc2c(cc1OCC)[C@@H](c1ccc(OC)c(OC)c1)N(c1ccc(C(=O)[O-])cc1)C(=O)C2 ZINC000009849444 555551488 /nfs/dbraw/zinc/55/14/88/555551488.db2.gz NMSWRVWDNXRBCV-HHHXNRCGSA-N -1 0 491.540 4.878 50 0 biogenic JJAARM COc1ccc2nc([N-]S(=O)(=O)c3ccc(C)cc3)c(Nc3ccc(C)c(F)c3)nc2c1 ZINC000009858104 555559719 /nfs/dbraw/zinc/55/97/19/555559719.db2.gz HNWVDQDCIOBGQU-UHFFFAOYSA-N -1 0 452.511 4.939 50 0 JJAARM COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4C)o3)C2=O)o1 ZINC000009970976 555568361 /nfs/dbraw/zinc/56/83/61/555568361.db2.gz CJYGHPFVPFSONN-VXLYETTFSA-N -1 0 467.455 4.569 50 0 JJAARM CS(=O)(=O)[N-]c1nc2ccc(C(=O)NCCC(c3ccccc3)c3ccccc3)cc2s1 ZINC000013689933 555583551 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CC[C@H](C)Oc1ccc(-c2nnc(CCC(=O)NCc3cccc(C(F)(F)F)c3)c(=O)[n-]2)cc1 ZINC000034763660 569658108 /nfs/dbraw/zinc/65/81/08/569658108.db2.gz GAGZNLANAFPEAV-HNNXBMFYSA-N -1 0 474.483 4.689 50 0 JJAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2nc(C)c(C(=O)N3CCCCC3)s2)cs1 ZINC000065117152 569667045 /nfs/dbraw/zinc/66/70/45/569667045.db2.gz AESXEEFNOMMNIA-UHFFFAOYSA-N -1 0 491.660 4.924 50 0 JJAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(F)cc3F)c2)sc1C(=O)N1CCCCC1 ZINC000065117082 569667089 /nfs/dbraw/zinc/66/70/89/569667089.db2.gz YWTZWSAOLLMAPL-UHFFFAOYSA-N -1 0 483.587 4.885 50 0 JJAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cn2C)sc1C(=O)N1CCCCC1 ZINC000065137495 569668373 /nfs/dbraw/zinc/66/83/73/569668373.db2.gz CYCCAAZSSASTRZ-UHFFFAOYSA-N -1 0 493.054 4.846 50 0 JJAARM CCC(=O)Nc1ccccc1-c1nnc(S[C@H](CC)C(=O)Nc2ccc(CC)cc2)[n-]c1=O ZINC000035377944 569685669 /nfs/dbraw/zinc/68/56/69/569685669.db2.gz PANPFXWLFXZYRI-LJQANCHMSA-N -1 0 465.579 4.665 50 0 JJAARM CCC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)[n-]c1=O ZINC000035378049 569685713 /nfs/dbraw/zinc/68/57/13/569685713.db2.gz BAPUFOODIYLYQC-UHFFFAOYSA-N -1 0 478.361 4.630 50 0 JJAARM CCc1ccc(S(=O)(=O)Nc2cnc(N3CC=C(c4ccccc4C)CC3)c(C(=O)[O-])c2)cc1 ZINC000035397798 569688406 /nfs/dbraw/zinc/68/84/06/569688406.db2.gz SRAGWEIJHYFJNE-UHFFFAOYSA-N -1 0 477.586 4.745 50 0 JJAARM O=C([O-])c1cc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)ccc1NC(=O)C1CC1 ZINC000035422772 569692845 /nfs/dbraw/zinc/69/28/45/569692845.db2.gz QBZBDSTXJLBIHG-UHFFFAOYSA-N -1 0 491.538 4.923 50 0 JJAARM CSc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C(C)=O)cc2)cc1 ZINC000071328661 569696975 /nfs/dbraw/zinc/69/69/75/569696975.db2.gz OUPIVYWHYQWYJO-QFIPXVFZSA-N -1 0 479.579 4.943 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccc(Cl)cc4)no3)cs2)cc1OC ZINC000035527579 569699354 /nfs/dbraw/zinc/69/93/54/569699354.db2.gz HCQGKFUTBLIZIK-UHFFFAOYSA-N -1 0 477.951 4.937 50 0 JJAARM O=C([O-])c1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccccc4)c3)C2=O)cc1 ZINC000080350125 569707866 /nfs/dbraw/zinc/70/78/66/569707866.db2.gz GPSSUONIRQTPLX-KGENOOAVSA-N -1 0 474.494 4.852 50 0 JJAARM O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCc2nc(-c3ccccc3)[n-]c(=O)c2C1 ZINC000035815301 569712406 /nfs/dbraw/zinc/71/24/06/569712406.db2.gz DHDPFUYSWQHLTE-UHFFFAOYSA-N -1 0 467.369 4.673 50 0 JJAARM COc1cccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cc4cccc(C)c4nc3Cl)C2)c1 ZINC000089689020 569719666 /nfs/dbraw/zinc/71/96/66/569719666.db2.gz OJZNGUZBENRHSJ-FQEVSTJZSA-N -1 0 451.910 4.748 50 0 JJAARM COc1cc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(O)cc5)coc4c32)ccc1OC(F)F ZINC000096114526 569733692 /nfs/dbraw/zinc/73/36/92/569733692.db2.gz VGHGICDIZBAISC-HNNXBMFYSA-N -1 0 496.418 4.922 50 0 biogenic JJAARM COC(=O)C[C@H](c1ccc(OC)c(OC)c1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096116347 569735221 /nfs/dbraw/zinc/73/52/21/569735221.db2.gz RTHDBGFXGLUMAZ-QGZVFWFLSA-N -1 0 476.481 4.583 50 0 biogenic JJAARM COC(=O)C[C@@H](c1ccc(OC)c(OC)c1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096116348 569735229 /nfs/dbraw/zinc/73/52/29/569735229.db2.gz RTHDBGFXGLUMAZ-KRWDZBQOSA-N -1 0 476.481 4.583 50 0 biogenic JJAARM CCc1[n-]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C(N(C)CC)C(=O)N(c2cccc(C)c2)C1=O ZINC000035963612 569738023 /nfs/dbraw/zinc/73/80/23/569738023.db2.gz CIYUJLQNFYSGKW-UHFFFAOYSA-N -1 0 499.398 4.992 50 0 JJAARM O=C([O-])c1ccccc1C(=O)N(C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000096580523 569741695 /nfs/dbraw/zinc/74/16/95/569741695.db2.gz WOSCCNMDACOCHG-UHFFFAOYSA-N -1 0 485.408 4.842 50 0 JJAARM CC(C)S(=O)(=O)c1csc(NC(=O)N=[S@](C)(=O)c2ccc(Cl)cc2)c1Cl ZINC000100218430 569755681 /nfs/dbraw/zinc/75/56/81/569755681.db2.gz LFNOXKPTOISHQS-RUZDIDTESA-N -1 0 455.410 4.926 50 0 JJAARM CN1C(=O)[C@@]2(CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2F)c2cccc(Cl)c21 ZINC000036358116 569772098 /nfs/dbraw/zinc/77/20/98/569772098.db2.gz LCXZFRMKOCRAGT-QFIPXVFZSA-N -1 0 456.882 4.511 50 0 JJAARM O=C([O-])c1sc2c(c1-c1ccccc1F)NC(=O)C[C@]21C(=O)Nc2ccc(Br)cc21 ZINC000036359144 569772336 /nfs/dbraw/zinc/77/23/36/569772336.db2.gz BPKQEERDPBWMMI-OAQYLSRUSA-N -1 0 487.306 4.595 50 0 JJAARM Cc1ccc([C@@H]2CC(c3ccccc3)=Nc3nc([N-]S(=O)(=O)c4ccc(C)cc4)nn32)cc1 ZINC000100865681 569772841 /nfs/dbraw/zinc/77/28/41/569772841.db2.gz KDTQSJBZIGDCNL-QHCPKHFHSA-N -1 0 457.559 4.752 50 0 JJAARM CCOC(=O)[C@@H]1CCCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Cl)cc2)C1 ZINC000036370410 569773332 /nfs/dbraw/zinc/77/33/32/569773332.db2.gz HYRHSOYDBPWNNI-QAPCUYQASA-N -1 0 486.981 4.774 50 0 JJAARM COc1ccc([C@@H]2CC(c3ccccc3)=Nc3nc([N-]S(=O)(=O)c4ccc(Cl)cc4)nn32)cc1 ZINC000101010203 569779129 /nfs/dbraw/zinc/77/91/29/569779129.db2.gz AWIFWNKBUAKUJT-QFIPXVFZSA-N -1 0 493.976 4.797 50 0 JJAARM COc1ccccc1[C@@H]1CC(c2c(=O)[nH]c(=O)n(CCc3ccccc3)c2[O-])=Nc2ccccc2S1 ZINC000101401865 569796435 /nfs/dbraw/zinc/79/64/35/569796435.db2.gz IMLLGHAXMLMXFJ-DEOSSOPVSA-N -1 0 499.592 4.851 50 0 JJAARM COc1ccc(OC)c([C@H]2CC(c3c([O-])n(C)c(=S)n(C)c3=O)=Nc3ccccc3S2)c1 ZINC000101495025 569800060 /nfs/dbraw/zinc/80/00/60/569800060.db2.gz PFGTXNVMSGUNLG-LJQANCHMSA-N -1 0 469.588 4.534 50 0 JJAARM O=c1[nH]c(=O)n(Cc2ccccc2)c([O-])c1C1=Nc2ccccc2S[C@H](c2cccs2)C1 ZINC000101495016 569800173 /nfs/dbraw/zinc/80/01/73/569800173.db2.gz JLNIWYJQAIZFCI-FQEVSTJZSA-N -1 0 461.568 4.710 50 0 JJAARM COc1ccc([C@@H]2CC(c3c([O-])n(C)c(=S)n(C)c3=O)=Nc3ccccc3S2)c(OC)c1 ZINC000101495226 569800309 /nfs/dbraw/zinc/80/03/09/569800309.db2.gz AGFKOAFBJRFJLW-IBGZPJMESA-N -1 0 469.588 4.534 50 0 JJAARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1CC(=O)Nc1ccc(Br)cc1 ZINC000101505372 569801145 /nfs/dbraw/zinc/80/11/45/569801145.db2.gz VLZYDGNORFWCPS-UHFFFAOYSA-N -1 0 469.364 4.954 50 0 JJAARM Cc1c2c(cc(=O)n1CCc1c[nH]c3ccc(F)cc13)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000101514545 569801305 /nfs/dbraw/zinc/80/13/05/569801305.db2.gz NFSHUXUWRAVTNZ-UHFFFAOYSA-N -1 0 459.506 4.626 50 0 JJAARM Cc1ccc(C2=Nc3nc([N-]S(=O)(=O)c4ccc(C)cc4)nn3[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000101836503 569805974 /nfs/dbraw/zinc/80/59/74/569805974.db2.gz HAKKORQMPATDLI-HSZRJFAPSA-N -1 0 475.549 4.891 50 0 JJAARM Cc1oc(-c2ccc(OC(C)C)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2 ZINC000102377533 569812655 /nfs/dbraw/zinc/81/26/55/569812655.db2.gz NSGYBWKDKFIBGI-NHCUHLMSSA-N -1 0 479.924 4.584 50 0 JJAARM Cc1oc(-c2cccc(Cl)c2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(C(C)C)cc3)c(=O)c1=2 ZINC000102478926 569813522 /nfs/dbraw/zinc/81/35/22/569813522.db2.gz HMBFGCILKAITAL-SFTDATJTSA-N -1 0 463.925 4.920 50 0 JJAARM O=C(c1ccc2c(c1)[n-]c(=S)n(Cc1ccco1)c2=O)N1CCC(Cc2ccccc2)CC1 ZINC000102749038 569820564 /nfs/dbraw/zinc/82/05/64/569820564.db2.gz AUHSNIBJJMJPHG-UHFFFAOYSA-N -1 0 459.571 4.795 50 0 JJAARM CCCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4C(=O)[O-])[C@H]3C2=O)cc1 ZINC000102768373 569823424 /nfs/dbraw/zinc/82/34/24/569823424.db2.gz OPXAHFXFFJHGIH-DSNGMDLFSA-N -1 0 486.524 4.615 50 0 JJAARM CC(=O)N1c2cc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)c(Br)cc2C[C@H]1C ZINC000040450677 569828911 /nfs/dbraw/zinc/82/89/11/569828911.db2.gz IUVZEICXQYZCQJ-CYBMUJFWSA-N -1 0 451.386 4.671 50 0 JJAARM CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccco2)c3=O)cc1 ZINC000104088989 569840670 /nfs/dbraw/zinc/84/06/70/569840670.db2.gz VRZIYAYPMYBENP-QHCPKHFHSA-N -1 0 475.570 4.703 50 0 JJAARM COc1ccc(CCN2C(=O)C(=O)C(c3ccc(C)cc3)[C@H]2c2ccc(C(=O)[O-])cc2)cc1OC ZINC000045942058 569840714 /nfs/dbraw/zinc/84/07/14/569840714.db2.gz LXFWFNASFHLWAM-RUZDIDTESA-N -1 0 473.525 4.806 50 0 JJAARM CCCCCCN1N=C(C)[C@@H](C(=O)c2ccc(C(=O)c3c(C)[n-]n(CCCCCC)c3=O)cc2)C1=O ZINC000108296559 569859433 /nfs/dbraw/zinc/85/94/33/569859433.db2.gz CQXDGWHZCNNGNX-PSWAGMNNSA-N -1 0 494.636 4.881 50 0 JJAARM CCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OCC)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000137718495 569865220 /nfs/dbraw/zinc/86/52/20/569865220.db2.gz GSABNNPPGFSLPR-ISJGIBHGSA-N -1 0 458.514 4.535 50 0 JJAARM O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(OC(F)(F)F)cc3)[C@@H]2C(=O)N1c1ccccc1F ZINC000137754503 569865233 /nfs/dbraw/zinc/86/52/33/569865233.db2.gz GKUKRAQJHRKUNW-PCCBWWKXSA-N -1 0 472.394 4.775 50 0 JJAARM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccc(Cl)cc2)c(OC)c1 ZINC000137842632 569865257 /nfs/dbraw/zinc/86/52/57/569865257.db2.gz OVBRODNAMZDVAL-RBZQAINGSA-N -1 0 478.932 4.717 50 0 JJAARM Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(Br)cc4)[C@@H]3C2=O)cc1 ZINC000229943236 570042546 /nfs/dbraw/zinc/04/25/46/570042546.db2.gz DZYCNEOIDRKCLN-BHDDXSALSA-N -1 0 463.331 4.809 50 0 JJAARM Cc1oc2cc(OCC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)ccc2c(=O)c1-c1ccc(Cl)cc1 ZINC000238899397 570047311 /nfs/dbraw/zinc/04/73/11/570047311.db2.gz GGMIXPCGIQZRRH-SAABIXHNSA-N -1 0 483.948 4.808 50 0 JJAARM Cc1c(O[C@H](C)C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000238900245 570047392 /nfs/dbraw/zinc/04/73/92/570047392.db2.gz IDPOBLGKQBGXKZ-CEMLEFRQSA-N -1 0 491.584 4.775 50 0 JJAARM C[C@@H](Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000238923880 570047896 /nfs/dbraw/zinc/04/78/96/570047896.db2.gz PXQVEEGGBCBFCF-JFIYKMOQSA-N -1 0 483.948 4.888 50 0 JJAARM CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(O)c(OCC)c4)[C@H]3C2=O)cc1 ZINC000245309705 570063077 /nfs/dbraw/zinc/06/30/77/570063077.db2.gz FRXKTFLXEFCHHX-TWJOJJKGSA-N -1 0 488.540 4.631 50 0 JJAARM COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(OC)c(OC)c2C(=O)[O-])c1 ZINC000248247073 570076774 /nfs/dbraw/zinc/07/67/74/570076774.db2.gz MVCRBDJMNCHZKT-NLFFAJNJSA-N -1 0 460.486 4.653 50 0 JJAARM Cc1c(O[C@H](C)C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000253387623 570095395 /nfs/dbraw/zinc/09/53/95/570095395.db2.gz HVDQBOGXNAWROE-QWFCFKBJSA-N -1 0 463.530 4.543 50 0 JJAARM COc1cc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(F)cc5)coc4c32)ccc1OCC(=O)[O-] ZINC000253413754 570098398 /nfs/dbraw/zinc/09/83/98/570098398.db2.gz VPFLSSVGIWEFJJ-SFHVURJKSA-N -1 0 490.439 4.512 50 0 JJAARM COc1cc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(F)cc5)coc4c32)ccc1OCC(=O)[O-] ZINC000253413753 570098419 /nfs/dbraw/zinc/09/84/19/570098419.db2.gz VPFLSSVGIWEFJJ-GOSISDBHSA-N -1 0 490.439 4.512 50 0 JJAARM COc1cc([C@H](CC(=O)Nc2ccc(C(F)(F)F)cc2)c2c([O-])cc(C)oc2=O)cc2c1OCO2 ZINC000253471182 570099292 /nfs/dbraw/zinc/09/92/92/570099292.db2.gz NLPAANRGXUCLTE-INIZCTEOSA-N -1 0 491.418 4.571 50 0 JJAARM C[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccc(Cl)cc2)c3=O)[C@H]1C ZINC000334158856 570184493 /nfs/dbraw/zinc/18/44/93/570184493.db2.gz UQNBXSOAPDYHBE-QEEYODRMSA-N -1 0 456.011 4.941 50 0 JJAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccccc3C(C)(C)C)cc2)n1 ZINC000001033581 194006644 /nfs/dbraw/zinc/00/66/44/194006644.db2.gz WTIJGRPXWBBNRK-UHFFFAOYSA-N -1 0 453.568 4.836 50 0 JJAARM Cc1ccccc1NC(=O)CSc1nc([O-])c(Cc2ccccc2)c(=O)n1-c1ccccc1 ZINC000001102429 194024559 /nfs/dbraw/zinc/02/45/59/194024559.db2.gz FTJNSEDTKBUHEV-UHFFFAOYSA-N -1 0 457.555 4.568 50 0 JJAARM Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(Cl)cc(Br)c3[O-])C2=O)cc1 ZINC000001164593 194056777 /nfs/dbraw/zinc/05/67/77/194056777.db2.gz RPISDNODMZBWLI-CHHVJCJISA-N -1 0 481.755 4.792 50 0 JJAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C1c2ccccc2Oc2ccccc21 ZINC000001151309 194050748 /nfs/dbraw/zinc/05/07/48/194050748.db2.gz HFHKSIWQJQRAOK-UHFFFAOYSA-N -1 0 463.540 4.820 50 0 JJAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3cc4ccc(OC)cc4nc3Cl)C2)cc1 ZINC000001243527 194078955 /nfs/dbraw/zinc/07/89/55/194078955.db2.gz AEZHTQCCGARHDW-JOCHJYFZSA-N -1 0 481.936 4.838 50 0 JJAARM O=C([O-])CCCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cc2cc3c(cc2nc1Cl)OCCO3 ZINC000001295685 194081983 /nfs/dbraw/zinc/08/19/83/194081983.db2.gz NQPHGYAUNVZCCQ-HXUWFJFHSA-N -1 0 479.920 4.592 50 0 JJAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)s1 ZINC000001510234 194126759 /nfs/dbraw/zinc/12/67/59/194126759.db2.gz OYMNVCCXBMJVIE-UHFFFAOYSA-N -1 0 464.572 4.821 50 0 JJAARM CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000001453428 194123545 /nfs/dbraw/zinc/12/35/45/194123545.db2.gz NKETWKDLFHGZCB-UHFFFAOYSA-N -1 0 472.588 4.903 50 0 JJAARM CCCCOc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)cc1 ZINC000001779123 194138605 /nfs/dbraw/zinc/13/86/05/194138605.db2.gz ORYOJZJOCJYNAE-OVCLIPMQSA-N -1 0 480.590 4.725 50 0 JJAARM Cc1c2occ(-c3ccc(Cl)cc3)c2cc2c(C)c(CC(=O)NCCC(=O)[O-])c(=O)oc12 ZINC000002114138 194157222 /nfs/dbraw/zinc/15/72/22/194157222.db2.gz FBIZAXMSCNNJLC-UHFFFAOYSA-N -1 0 453.878 4.610 50 0 biogenic JJAARM O=C([O-])CSc1nnc(-c2ccccc2Br)n1-c1cccc(C(F)(F)F)c1 ZINC000002643564 194162931 /nfs/dbraw/zinc/16/29/31/194162931.db2.gz MOMQDALGZORFQI-UHFFFAOYSA-N -1 0 458.259 4.892 50 0 JJAARM O=C([O-])COc1ccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)cc1 ZINC000002977892 194191819 /nfs/dbraw/zinc/19/18/19/194191819.db2.gz CBLMDOMSLOWCKN-HSZRJFAPSA-N -1 0 472.526 4.797 50 0 JJAARM CCOc1cc2[n-]c(=S)n(CCCC(=O)NCc3ccc(Cl)cc3)c(=O)c2cc1OCC ZINC000003010278 194203788 /nfs/dbraw/zinc/20/37/88/194203788.db2.gz PUPZMBMIZXEVMI-UHFFFAOYSA-N -1 0 475.998 4.606 50 0 JJAARM COc1cccc(NC(=S)N(Cc2ccc(C(=O)[O-])cc2)Cc2ccc(OC)c(OC)c2)c1 ZINC000003036481 194214286 /nfs/dbraw/zinc/21/42/86/194214286.db2.gz PTJXDJQUPCJTKE-UHFFFAOYSA-N -1 0 466.559 4.810 50 0 JJAARM COc1ccc(CN(Cc2ccc(C(=O)[O-])cc2)C(=S)Nc2ccccc2F)cc1OC ZINC000003036466 194214319 /nfs/dbraw/zinc/21/43/19/194214319.db2.gz LLQMZCMQMNEQRI-UHFFFAOYSA-N -1 0 454.523 4.940 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)c1 ZINC000003208153 194239376 /nfs/dbraw/zinc/23/93/76/194239376.db2.gz NHIHDMVJNYQDMQ-UHFFFAOYSA-N -1 0 491.598 4.694 50 0 JJAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3ccc4ccccc4c3)cc2)n1 ZINC000003243504 194249404 /nfs/dbraw/zinc/24/94/04/194249404.db2.gz CYSIIHXGKAZGIB-UHFFFAOYSA-N -1 0 478.599 4.778 50 0 JJAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000003283259 194262977 /nfs/dbraw/zinc/26/29/77/194262977.db2.gz XYOBSFXMNUQKGQ-UHFFFAOYSA-N -1 0 486.912 4.738 50 0 JJAARM Cc1ccccc1S(=O)(=O)[N-]c1nc2ccccc2nc1N1CCN(c2cccc(Cl)c2)CC1 ZINC000003310567 194276393 /nfs/dbraw/zinc/27/63/93/194276393.db2.gz PZFZPYRZBXRBTR-UHFFFAOYSA-N -1 0 494.020 4.719 50 0 JJAARM CC(C)N(C(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(C)C ZINC000003330925 194285557 /nfs/dbraw/zinc/28/55/57/194285557.db2.gz QIICKKXNOUQPPP-UHFFFAOYSA-N -1 0 487.405 4.596 50 0 JJAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(Cl)c1 ZINC000003369016 194304812 /nfs/dbraw/zinc/30/48/12/194304812.db2.gz IWRQVNJOWSOYBX-UHFFFAOYSA-N -1 0 456.692 4.903 50 0 JJAARM CCOc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc(Br)c1OCc1cccc(C)c1 ZINC000003642632 194347429 /nfs/dbraw/zinc/34/74/29/194347429.db2.gz CVAHMCRBFKAUSB-VQIMIIECSA-N -1 0 452.370 4.523 50 0 JJAARM CCOc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc(Br)c1OCc1ccc(C)cc1 ZINC000003642641 194347511 /nfs/dbraw/zinc/34/75/11/194347511.db2.gz VSVHGFDNWLSQST-VQIMIIECSA-N -1 0 452.370 4.523 50 0 JJAARM CCOc1cc([C@H]2N[C@@H](C(=O)[O-])CS2)cc(Br)c1OCc1cccc(C)c1 ZINC000003642628 194347524 /nfs/dbraw/zinc/34/75/24/194347524.db2.gz CVAHMCRBFKAUSB-APWZRJJASA-N -1 0 452.370 4.523 50 0 JJAARM CCOc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc(Br)c1OCc1ccccc1C ZINC000003642621 194347584 /nfs/dbraw/zinc/34/75/84/194347584.db2.gz MKHFUVFCQDZCDM-VQIMIIECSA-N -1 0 452.370 4.523 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]C(=O)N(Cc2cccnc2)c2ccc(Br)cc2Cl)cc1 ZINC000004105077 194378062 /nfs/dbraw/zinc/37/80/62/194378062.db2.gz DKMYVCNPNIENSH-UHFFFAOYSA-N -1 0 494.798 4.911 50 0 JJAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCN(c3ccccc3)CC2)c1C ZINC000006182959 194418900 /nfs/dbraw/zinc/41/89/00/194418900.db2.gz XJKVQSSRLBBREN-UHFFFAOYSA-N -1 0 477.630 4.683 50 0 JJAARM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc4ccccc4oc3=O)ccc2Cl)cc1 ZINC000009139273 194564168 /nfs/dbraw/zinc/56/41/68/194564168.db2.gz KRJUUYJMJLMIHV-UHFFFAOYSA-N -1 0 498.944 4.898 50 0 JJAARM COC(=O)c1c(C)c(C)sc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1C ZINC000012622697 195057895 /nfs/dbraw/zinc/05/78/95/195057895.db2.gz IUMZQRCDNWWOJB-UHFFFAOYSA-N -1 0 482.587 4.948 50 0 JJAARM C[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H](C)C1 ZINC000012649138 195075226 /nfs/dbraw/zinc/07/52/26/195075226.db2.gz LWJAPNNQCBUQII-GJZGRUSLSA-N -1 0 499.416 4.598 50 0 JJAARM Cc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000012630795 195062862 /nfs/dbraw/zinc/06/28/62/195062862.db2.gz ZGVSSQCFODBNJY-UHFFFAOYSA-N -1 0 488.484 4.755 50 0 JJAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccc3oc(C)nc3c2)c1 ZINC000012730428 195098521 /nfs/dbraw/zinc/09/85/21/195098521.db2.gz KAFRCWGLEFIPMN-UHFFFAOYSA-N -1 0 471.922 4.851 50 0 JJAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCn4cccc4[C@@H]3C)ccc2Cl)cc1 ZINC000012751808 195106262 /nfs/dbraw/zinc/10/62/62/195106262.db2.gz CFVCBDROHUIEHI-INIZCTEOSA-N -1 0 473.982 4.558 50 0 JJAARM O=C(NC1CC1)[C@H](Sc1nnc(-c2cc(Cl)sc2Cl)c(=O)[n-]1)c1ccccc1 ZINC000012863924 195160758 /nfs/dbraw/zinc/16/07/58/195160758.db2.gz RLEYCJKLTMIMIR-CQSZACIVSA-N -1 0 453.376 4.725 50 0 JJAARM COc1ccc2o/c(=N\c3ccc(C(=O)[O-])cc3)c(C(=O)Nc3cc(OC)ccc3OC)cc2c1 ZINC000020616709 195188371 /nfs/dbraw/zinc/18/83/71/195188371.db2.gz CKAUUETVIHLBHK-RFBIWTDZSA-N -1 0 474.469 4.642 50 0 JJAARM COc1ccc2o/c(=N\c3ccc(C(=O)[O-])cc3)c(C(=O)NCc3cccc(Cl)c3)cc2c1 ZINC000020616695 195188380 /nfs/dbraw/zinc/18/83/80/195188380.db2.gz DXKBEBLHAYEMEP-COOPMVRXSA-N -1 0 462.889 4.955 50 0 JJAARM COc1cc(CNc2ccc(Cl)c(C(=O)[O-])c2)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000020879106 195236495 /nfs/dbraw/zinc/23/64/95/195236495.db2.gz QRFQNHSLDDLCCG-UHFFFAOYSA-N -1 0 479.924 4.522 50 0 JJAARM CCOc1ccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1 ZINC000020987169 195260917 /nfs/dbraw/zinc/26/09/17/195260917.db2.gz XFHJXBQJKMZIMF-UHFFFAOYSA-N -1 0 489.479 4.645 50 0 JJAARM CC(=O)c1ccc(N2CCN(c3ccc(NC(=O)c4ccccc4Cl)cc3C(=O)[O-])CC2)cc1 ZINC000033078491 518353296 /nfs/dbraw/zinc/35/32/96/518353296.db2.gz JPTZFNBTEKHHNA-UHFFFAOYSA-N -1 0 477.948 4.820 50 0 JJAARM CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000005460008 518835559 /nfs/dbraw/zinc/83/55/59/518835559.db2.gz JYEVQYFWINBXJU-QFIPXVFZSA-N -1 0 468.550 4.673 50 0 JJAARM CC(=C\c1ccccc1)/C=C1\SC(=O)N(CCCC(=O)Nc2ccc(C(=O)[O-])cc2)C1=O ZINC000006162591 519348009 /nfs/dbraw/zinc/34/80/09/519348009.db2.gz HYABHBCDDMHYGJ-GEZYKDBCSA-N -1 0 450.516 4.786 50 0 JJAARM CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000074938000 519389655 /nfs/dbraw/zinc/38/96/55/519389655.db2.gz OLBBXRXTYWLDPL-ZEQRLZLVSA-N -1 0 466.578 4.555 50 0 JJAARM CC(C)C(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(Br)s3)ccc2s1 ZINC000033116468 519530431 /nfs/dbraw/zinc/53/04/31/519530431.db2.gz YMQHIEROSBNMGH-UHFFFAOYSA-N -1 0 460.400 4.516 50 0 JJAARM CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)s1 ZINC000033306466 519702394 /nfs/dbraw/zinc/70/23/94/519702394.db2.gz DOTTWQRNQNYWCR-VQHVLOKHSA-N -1 0 487.481 4.873 50 0 JJAARM CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3cc2[N-]S(=O)(=O)c2cccs2)cc1 ZINC000014901502 519725866 /nfs/dbraw/zinc/72/58/66/519725866.db2.gz NFDSQDNGSBMMKC-UHFFFAOYSA-N -1 0 465.556 4.913 50 0 JJAARM CCCNC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)nc1 ZINC000033138529 519900312 /nfs/dbraw/zinc/90/03/12/519900312.db2.gz HFKGFZXHYSCBOR-UHFFFAOYSA-N -1 0 468.025 4.888 50 0 JJAARM CCN(CC)c1ccc(NC(=O)c2ccsc2)cc1S(=O)(=O)[N-]c1ccccc1OC ZINC000022652619 520920557 /nfs/dbraw/zinc/92/05/57/520920557.db2.gz VVQJWTUOQJOHJL-UHFFFAOYSA-N -1 0 459.593 4.656 50 0 JJAARM CCCCSc1nnc2c(n1)O[C@H](c1ccc(OCC(=O)[O-])c(OCC)c1)Nc1ccccc1-2 ZINC000002823720 520980511 /nfs/dbraw/zinc/98/05/11/520980511.db2.gz UVUZJTSLPMJKTR-JOCHJYFZSA-N -1 0 482.562 4.796 50 0 JJAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4n[nH]cc4c3)ccc2Cl)cc1 ZINC000012525645 521129571 /nfs/dbraw/zinc/12/95/71/521129571.db2.gz QNZJJBITXYJYTD-UHFFFAOYSA-N -1 0 470.938 4.668 50 0 JJAARM CCOc1ccc(OCC)c(S(=O)(=O)[N-]c2cccc(-c3cn4cccc(C)c4n3)c2)c1 ZINC000016780405 521171146 /nfs/dbraw/zinc/17/11/46/521171146.db2.gz SEHHEKNIBQBZHB-UHFFFAOYSA-N -1 0 451.548 4.908 50 0 JJAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)[n-]c1=O ZINC000021882722 521202611 /nfs/dbraw/zinc/20/26/11/521202611.db2.gz LBBSLBUTEIHZHA-KRWDZBQOSA-N -1 0 479.606 4.946 50 0 JJAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@@H](C)C(=O)Nc2cccc(C)c2C)[n-]c1=O ZINC000021882718 521204520 /nfs/dbraw/zinc/20/45/20/521204520.db2.gz PEXHKLMMTQDWQG-INIZCTEOSA-N -1 0 465.579 4.637 50 0 JJAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@H](C)C(=O)Nc2cccc(C)c2C)[n-]c1=O ZINC000021882719 521205007 /nfs/dbraw/zinc/20/50/07/521205007.db2.gz PEXHKLMMTQDWQG-MRXNPFEDSA-N -1 0 465.579 4.637 50 0 JJAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000006146269 521213379 /nfs/dbraw/zinc/21/33/79/521213379.db2.gz SQGZQYAOVDZSEI-HSZRJFAPSA-N -1 0 450.560 4.694 50 0 JJAARM CCC(=O)Nc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2cc(Cl)ccc2C)[n-]c1=O ZINC000035377967 521227356 /nfs/dbraw/zinc/22/73/56/521227356.db2.gz IBGYQCDAGDNDEH-CYBMUJFWSA-N -1 0 471.970 4.674 50 0 JJAARM CCCn1nc(C)cc1CN(C)c1ccc(NS(=O)(=O)c2ccc(CC(C)C)cc2)cc1C(=O)[O-] ZINC000033253809 521669599 /nfs/dbraw/zinc/66/95/99/521669599.db2.gz NOUNTPDFLNJLCP-UHFFFAOYSA-N -1 0 498.649 4.935 50 0 JJAARM CCNC(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4ccc(Cl)s4)ccc3n2C)cc1 ZINC000033276971 521747329 /nfs/dbraw/zinc/74/73/29/521747329.db2.gz UTAVWKNNHLDSTJ-UHFFFAOYSA-N -1 0 474.995 4.506 50 0 JJAARM COC(=O)c1c(C)c(C)sc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000009297882 521753901 /nfs/dbraw/zinc/75/39/01/521753901.db2.gz MFVLGXIRZUBKPD-UHFFFAOYSA-N -1 0 458.561 4.513 50 0 JJAARM COc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000016225483 521972161 /nfs/dbraw/zinc/97/21/61/521972161.db2.gz DHLNPVXHXYTJDJ-RGVUVNHFSA-N -1 0 465.886 4.576 50 0 JJAARM COCCCN(Cc1cccs1)c1ccc(NC(=O)c2ccc(OC)cc2)cc1C(=O)[O-] ZINC000046053672 523262857 /nfs/dbraw/zinc/26/28/57/523262857.db2.gz YYBGKZWNUFWBKX-UHFFFAOYSA-N -1 0 454.548 4.750 50 0 JJAARM COc1ccc(/C=C/c2nc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3)no2)cc1OC ZINC000033122887 523404860 /nfs/dbraw/zinc/40/48/60/523404860.db2.gz DDNNYCWOXQVZRG-WUXMJOGZSA-N -1 0 469.544 4.787 50 0 JJAARM COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000033170618 523437956 /nfs/dbraw/zinc/43/79/56/523437956.db2.gz KVBSMXNFZQOLMH-NTMALXAHSA-N -1 0 495.479 4.940 50 0 JJAARM CCn1nc(C)c(CCN(C)c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccc(C(C)C)cc2)c1C ZINC000033254139 523633778 /nfs/dbraw/zinc/63/37/78/523633778.db2.gz YODJDOYVQSNVMI-UHFFFAOYSA-N -1 0 498.649 4.821 50 0 JJAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cc4cccc(C)c4nc3Cl)C2)c(OC)c1 ZINC000089689016 523875718 /nfs/dbraw/zinc/87/57/18/523875718.db2.gz NWJYRZJTSDHVSV-FQEVSTJZSA-N -1 0 481.936 4.756 50 0 JJAARM CCc1ccc(S(=O)(=O)Nc2cnc(N3CCC(Cc4ccccc4)CC3)c(C(=O)[O-])c2)cc1 ZINC000021883347 524018362 /nfs/dbraw/zinc/01/83/62/524018362.db2.gz BANHSXBIEIQDTP-UHFFFAOYSA-N -1 0 479.602 4.602 50 0 JJAARM COc1cccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCc3ccccc3C2)c1 ZINC000022852494 524168404 /nfs/dbraw/zinc/16/84/04/524168404.db2.gz NCUQCPOMDYJWNX-OAQYLSRUSA-N -1 0 458.543 4.913 50 0 JJAARM C[C@@H](CCc1ccccc1)NC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[n-]1 ZINC000016846272 524531346 /nfs/dbraw/zinc/53/13/46/524531346.db2.gz FLPAEUDFSCVEBH-HNNXBMFYSA-N -1 0 482.656 4.734 50 0 JJAARM Cc1cccc(N2CCN(c3ccc(NS(=O)(=O)c4ccccc4C)cc3C(=O)[O-])C[C@@H]2C)c1 ZINC000033253543 524560780 /nfs/dbraw/zinc/56/07/80/524560780.db2.gz DDBHTJLOJGPUES-FQEVSTJZSA-N -1 0 479.602 4.518 50 0 JJAARM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)OCCO4)ccc2Cl)c1C ZINC000016362149 524690247 /nfs/dbraw/zinc/69/02/47/524690247.db2.gz NWHZXMZRNDNRKE-UHFFFAOYSA-N -1 0 472.950 4.781 50 0 JJAARM Cc1ccccc1C(=O)Nc1ccc2nc(N3CCN(c4ccccc4)CC3)cc(C(=O)[O-])c2c1 ZINC000033260652 525064002 /nfs/dbraw/zinc/06/40/02/525064002.db2.gz CGSMYDLKDYQBCK-UHFFFAOYSA-N -1 0 466.541 4.820 50 0 JJAARM Cc1ccc(NC(=O)CSc2ccc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])cc2)cc1Cl ZINC000022566258 525076706 /nfs/dbraw/zinc/07/67/06/525076706.db2.gz MXWKUGHJAFINGA-MOPGFXCFSA-N -1 0 458.967 4.985 50 0 JJAARM COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)cc1 ZINC000033253834 525078100 /nfs/dbraw/zinc/07/81/00/525078100.db2.gz LYABSYHDNBAYBD-UHFFFAOYSA-N -1 0 480.586 4.653 50 0 JJAARM Cc1ccc(NC(=O)c2ccccc2)c(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3)[n-]c2=O)c1 ZINC000021882761 525246820 /nfs/dbraw/zinc/24/68/20/525246820.db2.gz JYBGCFAAHMXQSR-KRWDZBQOSA-N -1 0 485.569 4.924 50 0 JJAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C\c3ccc(C(C)C)cc3)cc2)nc(C)n1 ZINC000033332714 525288412 /nfs/dbraw/zinc/28/84/12/525288412.db2.gz SMEXRRBRKXOSFG-AUWJEWJLSA-N -1 0 450.564 4.670 50 0 JJAARM Cc1ccc(S(=O)(=O)c2[n-]c(-c3ccccc3)nc2SCC(=O)Nc2ccccc2)cc1 ZINC000012249920 525633876 /nfs/dbraw/zinc/63/38/76/525633876.db2.gz HGFKDVYJZSCVKY-UHFFFAOYSA-N -1 0 463.584 4.949 50 0 JJAARM Cc1ccc(Sc2cc3c(cc2[N-]S(=O)(=O)c2ccccc2Cl)n(C)c(=O)n3C)cc1 ZINC000033256310 525671374 /nfs/dbraw/zinc/67/13/74/525671374.db2.gz SVDXUHHTHHZKTP-UHFFFAOYSA-N -1 0 474.007 4.791 50 0 JJAARM Cc1ccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCN(Cc3ccccc3)CC2)cc1 ZINC000022798531 525784475 /nfs/dbraw/zinc/78/44/75/525784475.db2.gz WVHHPOGBJOENMP-QHCPKHFHSA-N -1 0 485.613 4.972 50 0 JJAARM C[C@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000006142020 525940427 /nfs/dbraw/zinc/94/04/27/525940427.db2.gz BAUJIQPZQUOMNX-GKVSMKOHSA-N -1 0 496.519 4.521 50 0 JJAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2oc1C(=O)N1CCCCC1 ZINC000065010667 525942633 /nfs/dbraw/zinc/94/26/33/525942633.db2.gz LETWJUQZXUGLQU-UHFFFAOYSA-N -1 0 470.547 4.514 50 0 JJAARM Cc1c2oc3c(c2cc2c(C)c(CCC(=O)N[C@@H](C(=O)[O-])c4ccccc4)c(=O)oc12)CCCC3 ZINC000002108267 525997037 /nfs/dbraw/zinc/99/70/37/525997037.db2.gz AGLLJUZJKSKSNW-XMMPIXPASA-N -1 0 473.525 4.910 50 0 biogenic JJAARM Cc1coc2cc3oc(=O)c(CCC(=O)N[C@@H](Cc4ccc(Cl)cc4)C(=O)[O-])c(C)c3cc12 ZINC000002157015 526292888 /nfs/dbraw/zinc/29/28/88/526292888.db2.gz SVZCNTJZQJIFGL-FQEVSTJZSA-N -1 0 467.905 4.554 50 0 biogenic JJAARM Cc1csc(-c2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cn2CC(=O)N2CCCCC2)n1 ZINC000033307628 526301143 /nfs/dbraw/zinc/30/11/43/526301143.db2.gz GAOLYGVCMFBXRP-UHFFFAOYSA-N -1 0 493.054 4.695 50 0 JJAARM Cc1csc(-c2cc(S(=O)(=O)[N-]c3cccc(C(C)C)c3)cn2CC(=O)N2CCCCC2)n1 ZINC000033307761 526301206 /nfs/dbraw/zinc/30/12/06/526301206.db2.gz DVLJNZPCNPPGKQ-UHFFFAOYSA-N -1 0 486.663 4.857 50 0 JJAARM O=C([O-])[C@H](Cc1ccccc1Br)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002243676 526306924 /nfs/dbraw/zinc/30/69/24/526306924.db2.gz GRJPAUULVKPBHU-QFIPXVFZSA-N -1 0 466.331 4.984 50 0 JJAARM [O-]c1c([C@@H](c2ccc(F)cc2)N2CCN(c3ccc(F)cc3)CC2)sc2nc(-c3ccco3)nn12 ZINC000022852261 526331060 /nfs/dbraw/zinc/33/10/60/526331060.db2.gz MEQNKPHAYWBJIS-OAQYLSRUSA-N -1 0 493.539 4.946 50 0 JJAARM O=C([O-])c1cc(N2CCN(c3ccccc3F)CC2)nc2ccc(NC(=O)c3ccc(F)cc3)cc21 ZINC000033260636 526348777 /nfs/dbraw/zinc/34/87/77/526348777.db2.gz CESHVXJYLGBDNP-UHFFFAOYSA-N -1 0 488.494 4.790 50 0 JJAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc1)C2=O ZINC000001185195 526385191 /nfs/dbraw/zinc/38/51/91/526385191.db2.gz DZZKKKURLBPYBF-UHFFFAOYSA-N -1 0 455.253 4.745 50 0 JJAARM Cc1noc(C)c1CCN(C)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1C(=O)[O-] ZINC000033253777 526490234 /nfs/dbraw/zinc/49/02/34/526490234.db2.gz DFKOIRGWTRUYNN-UHFFFAOYSA-N -1 0 485.606 4.767 50 0 JJAARM O=C(c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Br)cc1Cl)N1CCCC1 ZINC000040135443 526679982 /nfs/dbraw/zinc/67/99/82/526679982.db2.gz CTPSVJSBZPHOTA-UHFFFAOYSA-N -1 0 478.195 4.793 50 0 JJAARM Cn1c(=O)n(C)c2cc(Sc3ccc(F)cc3)c([N-]S(=O)(=O)c3ccc(Cl)s3)cc21 ZINC000045941144 527034837 /nfs/dbraw/zinc/03/48/37/527034837.db2.gz DWPHFJKLGCKBAN-UHFFFAOYSA-N -1 0 483.999 4.683 50 0 JJAARM Cc1nc2cccnc2n1C1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cc2C(=O)[O-])CC1 ZINC000035451190 527181186 /nfs/dbraw/zinc/18/11/86/527181186.db2.gz WXLPFYXYBKXBED-UHFFFAOYSA-N -1 0 469.545 4.840 50 0 JJAARM O=S(=O)([N-]c1ccc(-c2noc(-c3ccc(Br)o3)n2)cc1)c1cccs1 ZINC000065010387 527247147 /nfs/dbraw/zinc/24/71/47/527247147.db2.gz KTHLSTSEUXMDOS-UHFFFAOYSA-N -1 0 452.311 4.621 50 0 JJAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000011916120 527257433 /nfs/dbraw/zinc/25/74/33/527257433.db2.gz KAMYGOVNQNRHQF-UHFFFAOYSA-N -1 0 460.924 4.505 50 0 JJAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1cccc(Cl)c1)c1cccc2nsnc21 ZINC000002420181 527259902 /nfs/dbraw/zinc/25/99/02/527259902.db2.gz SVFHALQGGACFRY-UHFFFAOYSA-N -1 0 468.951 4.832 50 0 JJAARM O=C(NC1CC1)c1ccc(Sc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)nc1 ZINC000033138626 527495416 /nfs/dbraw/zinc/49/54/16/527495416.db2.gz HWABAZSWRRYJGS-UHFFFAOYSA-N -1 0 466.009 4.641 50 0 JJAARM O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1 ZINC000006140395 527607331 /nfs/dbraw/zinc/60/73/31/527607331.db2.gz DBNYNCFXRFJPGC-VGOFMYFVSA-N -1 0 464.934 4.736 50 0 JJAARM Cc1nn(C)c(C)c1CCCN(C)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1c(C)cc(C)cc1C ZINC000033254071 527620929 /nfs/dbraw/zinc/62/09/29/527620929.db2.gz ABVNGXFSLOTKFM-UHFFFAOYSA-N -1 0 498.649 4.530 50 0 JJAARM O=C([O-])[C@@H](O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc2ccccc21 ZINC000012351515 527656445 /nfs/dbraw/zinc/65/64/45/527656445.db2.gz BUZJFSDHZCMMQV-UIOOFZCWSA-N -1 0 453.494 4.865 50 0 JJAARM COC(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000666654 553742597 /nfs/dbraw/zinc/74/25/97/553742597.db2.gz NWXDPZQPEGCMMA-UHFFFAOYSA-N -1 0 468.922 4.614 50 0 JJAARM COC(=O)c1c([N-]C(NC(=O)c2cccnc2)(C(F)(F)F)C(F)(F)F)sc2c1CCCCC2 ZINC000000721280 553772801 /nfs/dbraw/zinc/77/28/01/553772801.db2.gz YUCJLWRFTZJYIK-UHFFFAOYSA-N -1 0 495.445 4.861 50 0 JJAARM O=C(NC(=S)Nc1cc(Br)c([O-])c(Br)c1)c1cc2ccccc2o1 ZINC000001098942 553907244 /nfs/dbraw/zinc/90/72/44/553907244.db2.gz JBIIBFFUKFDELD-UHFFFAOYSA-N -1 0 470.142 4.790 50 0 JJAARM O=C(Nc1ccc(Cl)cc1)c1ccc(Br)c(S(=O)(=O)[N-]c2ccccn2)c1 ZINC000001188011 553930680 /nfs/dbraw/zinc/93/06/80/553930680.db2.gz RSKJGXUWSGZLKX-UHFFFAOYSA-N -1 0 466.744 4.551 50 0 JJAARM Cc1nc(C)c(-c2csc(Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)n2)s1 ZINC000001895816 554001127 /nfs/dbraw/zinc/00/11/27/554001127.db2.gz QGWICCGKZMCPQT-UHFFFAOYSA-N -1 0 472.621 4.835 50 0 JJAARM CCCCC(=O)NC([N-]c1sc2c(c1C(=O)OC)CCCC2)(C(F)(F)F)C(F)(F)F ZINC000002050115 554010421 /nfs/dbraw/zinc/01/04/21/554010421.db2.gz HKZNQXQSZHOPIJ-UHFFFAOYSA-N -1 0 460.440 4.953 50 0 JJAARM CSCC[C@H](NC(=O)CCc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccccc1)C(=O)[O-] ZINC000002103438 554043803 /nfs/dbraw/zinc/04/38/03/554043803.db2.gz LSFYHPQWORNWCO-NRFANRHFSA-N -1 0 479.554 4.770 50 0 biogenic JJAARM Cc1c2oc3c(c2cc2c(C)c(CCC(=O)N[C@H](C(=O)[O-])c4ccccc4)c(=O)oc12)CCCC3 ZINC000002108264 554048322 /nfs/dbraw/zinc/04/83/22/554048322.db2.gz AGLLJUZJKSKSNW-DEOSSOPVSA-N -1 0 473.525 4.910 50 0 biogenic JJAARM COc1ccc(-c2cc(=O)oc3c(C)c(O[C@H](C)C(=O)NCC4CCC(C(=O)[O-])CC4)ccc23)cc1 ZINC000002115898 554053342 /nfs/dbraw/zinc/05/33/42/554053342.db2.gz YNUPOGYQISPFQE-PGYGNJIDSA-N -1 0 493.556 4.552 50 0 biogenic JJAARM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)N[C@@H](C(=O)[O-])c3ccccc3)c(=O)oc12 ZINC000002122890 554056915 /nfs/dbraw/zinc/05/69/15/554056915.db2.gz CPYCSSRFUGYRJC-JOCHJYFZSA-N -1 0 461.514 4.938 50 0 biogenic JJAARM O=S(=O)([N-]c1ccccc1SCCS(=O)(=O)c1ccc(Cl)cc1)c1cccs1 ZINC000002148035 554067560 /nfs/dbraw/zinc/06/75/60/554067560.db2.gz QTMRLKHUBXERET-UHFFFAOYSA-N -1 0 474.050 4.768 50 0 JJAARM O=C([O-])[C@@H](Cc1cccc(Br)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002243701 554110567 /nfs/dbraw/zinc/11/05/67/554110567.db2.gz CALGTIKYXVBTAO-JOCHJYFZSA-N -1 0 466.331 4.984 50 0 JJAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(C)c(C)c2)cc1 ZINC000002272171 554127560 /nfs/dbraw/zinc/12/75/60/554127560.db2.gz OYHPBUCKEZLNAE-UHFFFAOYSA-N -1 0 461.547 4.749 50 0 JJAARM CCOC(=O)[C@]([N-]c1nc2ccccc2s1)(NC(=O)c1cccc(Cl)c1)C(F)(F)F ZINC000002314949 554145012 /nfs/dbraw/zinc/14/50/12/554145012.db2.gz YKVJJTZYVJOCKK-GOSISDBHSA-N -1 0 457.861 4.613 50 0 JJAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OC(=O)OCc2ccccc2Br)cc1)C(=O)[O-] ZINC000002384744 554176991 /nfs/dbraw/zinc/17/69/91/554176991.db2.gz UYWMYJQSTUVRHR-SFHVURJKSA-N -1 0 494.338 4.685 50 0 JJAARM COc1cc(OC)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1Cl ZINC000002399189 554184649 /nfs/dbraw/zinc/18/46/49/554184649.db2.gz XUXASDPEWNZXNN-UHFFFAOYSA-N -1 0 488.928 4.984 50 0 JJAARM O=C([O-])c1ccccc1C(=O)c1ccc2c(c1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CO2 ZINC000002505782 554230261 /nfs/dbraw/zinc/23/02/61/554230261.db2.gz BVZJRKFCHJWIPA-UHFFFAOYSA-N -1 0 456.281 4.848 50 0 JJAARM O=C([O-])[C@@H](Cc1ccc(Br)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002564721 554236333 /nfs/dbraw/zinc/23/63/33/554236333.db2.gz TVBAVBWXRDHONF-JOCHJYFZSA-N -1 0 466.331 4.984 50 0 JJAARM O=C([N-][C@@]1(C(F)(F)F)C(=O)N2c3c1cccc3Sc1ccc(Cl)cc12)C(F)(F)F ZINC000002601356 554240193 /nfs/dbraw/zinc/24/01/93/554240193.db2.gz OYKQUDZFWVXDHT-OAHLLOKOSA-N -1 0 452.763 4.919 50 0 JJAARM Cc1cc(C(F)F)nn1Cc1nnc([N-]c2ccn(Cc3c(F)cccc3Cl)n2)s1 ZINC000002809145 554358997 /nfs/dbraw/zinc/35/89/97/554358997.db2.gz LSANBKWCPUNIHR-UHFFFAOYSA-N -1 0 453.881 4.810 50 0 JJAARM CCCCSc1nnc2c(n1)O[C@@H](c1ccc(OCC(=O)[O-])c(OCC)c1)Nc1ccccc1-2 ZINC000002823721 554365458 /nfs/dbraw/zinc/36/54/58/554365458.db2.gz UVUZJTSLPMJKTR-QFIPXVFZSA-N -1 0 482.562 4.796 50 0 JJAARM Cc1ccc(CNC(=O)c2ccc(Cn3c(=O)c4cc(Br)ccc4[n-]c3=S)cc2)cc1 ZINC000002973666 554414527 /nfs/dbraw/zinc/41/45/27/554414527.db2.gz VFRLSHFHBURGPH-UHFFFAOYSA-N -1 0 494.414 4.734 50 0 JJAARM O=C(NCc1ccccc1Cl)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(Cl)cc1)c2=O ZINC000003051953 554424711 /nfs/dbraw/zinc/42/47/11/554424711.db2.gz CTBKYEBFDPKURF-UHFFFAOYSA-N -1 0 470.381 4.970 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(=S)n(CN3C[C@H](C)C[C@@H](C)C3)c2c1 ZINC000006182299 554515989 /nfs/dbraw/zinc/51/59/89/554515989.db2.gz CKGBVGARWOIDGL-HZPDHXFCSA-N -1 0 461.609 4.709 50 0 JJAARM COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cc(OCc3ccccc3)c(Cl)cc2Cl)cc1 ZINC000006182534 554516015 /nfs/dbraw/zinc/51/60/15/554516015.db2.gz GGFPTDCYVQZROY-UHFFFAOYSA-N -1 0 496.368 4.861 50 0 JJAARM CN(C)c1nc(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nc(Cl)c1CC(=O)[O-] ZINC000006717475 554557773 /nfs/dbraw/zinc/55/77/73/554557773.db2.gz CUNNBJJEJUDKNN-UHFFFAOYSA-N -1 0 474.948 4.819 50 0 JJAARM CCN1C(=O)S/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(Br)c2)C1=O ZINC000008396447 554571263 /nfs/dbraw/zinc/57/12/63/554571263.db2.gz IUXDGBKWHKMEQX-LICLKQGHSA-N -1 0 462.321 4.783 50 0 JJAARM C[C@H](c1ccccc1)N1C(=O)c2ccc(C(=O)Nc3ccc(Br)cc3C(=O)[O-])cc2C1=O ZINC000008417707 554579122 /nfs/dbraw/zinc/57/91/22/554579122.db2.gz WBQXQPVNRFHHAS-CYBMUJFWSA-N -1 0 493.313 4.757 50 0 JJAARM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3Cc2ccccc2)c1 ZINC000008840694 554740046 /nfs/dbraw/zinc/74/00/46/554740046.db2.gz QXIHQQLLOLHUGK-UHFFFAOYSA-N -1 0 450.560 4.538 50 0 JJAARM CC(=O)c1ccc(OCCCC(=O)Nc2nnc(SCc3ccc(C(=O)[O-])cc3)s2)cc1 ZINC000008849479 554746916 /nfs/dbraw/zinc/74/69/16/554746916.db2.gz HGIAHQQOQFFWED-UHFFFAOYSA-N -1 0 471.560 4.529 50 0 JJAARM COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(OC)c(OC)c2C(=O)[O-])cc1 ZINC000009033333 554867585 /nfs/dbraw/zinc/86/75/85/554867585.db2.gz FADJYTMLKZWTQA-FQRUVTKNSA-N -1 0 490.512 4.662 50 0 biogenic JJAARM CC(C)CCN1c2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2OCC(C)(C)C1=O ZINC000009169310 554952947 /nfs/dbraw/zinc/95/29/47/554952947.db2.gz JSOSSTCLVNLXEQ-UHFFFAOYSA-N -1 0 450.988 4.939 50 0 JJAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCC(C)(C)C(=O)N2CCC(C)C ZINC000009169449 554952951 /nfs/dbraw/zinc/95/29/51/554952951.db2.gz PXJFMBGQHMZSGC-UHFFFAOYSA-N -1 0 474.623 4.911 50 0 JJAARM COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000009287800 555061301 /nfs/dbraw/zinc/06/13/01/555061301.db2.gz URMCPUDZVVENPP-FARCUNLSSA-N -1 0 455.102 4.570 50 0 JJAARM CCOC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1cc(Cl)c(OC)cc1OC ZINC000009320773 555095380 /nfs/dbraw/zinc/09/53/80/555095380.db2.gz ARVIMZMZUSSMDN-UHFFFAOYSA-N -1 0 455.941 4.549 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000009403091 555161288 /nfs/dbraw/zinc/16/12/88/555161288.db2.gz GXGHWYDBZZRZMN-UHFFFAOYSA-N -1 0 487.386 4.604 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2cc(C)n(C3CC3)c2C)ccc1C ZINC000009415701 555183228 /nfs/dbraw/zinc/18/32/28/555183228.db2.gz YHSGPWZADRHHLH-UHFFFAOYSA-N -1 0 453.564 4.810 50 0 JJAARM COc1cc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])ccc1OCc1ccc(Br)cc1 ZINC000009456189 555226073 /nfs/dbraw/zinc/22/60/73/555226073.db2.gz HQYYWZPQHHJHMG-ZDLGFXPLSA-N -1 0 476.352 4.681 50 0 JJAARM CCOc1ccc(/C=C(/NC(=O)c2ccccc2C)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1OCC ZINC000009462111 555230834 /nfs/dbraw/zinc/23/08/34/555230834.db2.gz DNMZICBYNBKNHJ-XQNSMLJCSA-N -1 0 488.540 4.900 50 0 JJAARM COc1ccc(C(=O)N2CCC[C@H]2c2cccs2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000009467653 555245260 /nfs/dbraw/zinc/24/52/60/555245260.db2.gz IRFUDPZEVFRARW-IBGZPJMESA-N -1 0 456.589 4.843 50 0 JJAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(-c2ccc(N3CCCCC3)nn2)c1 ZINC000009529525 555323728 /nfs/dbraw/zinc/32/37/28/555323728.db2.gz JZTZNBRRIUEOKA-UHFFFAOYSA-N -1 0 458.971 4.597 50 0 JJAARM CCOC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1cc(C)c(Cl)cc1OC ZINC000009646492 555359697 /nfs/dbraw/zinc/35/96/97/555359697.db2.gz DSGXGTYSLQPUIQ-UHFFFAOYSA-N -1 0 457.932 4.988 50 0 JJAARM Cc1cc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n(-c2nc(C)c(C)c(=O)[n-]2)n1 ZINC000009660386 555364373 /nfs/dbraw/zinc/36/43/73/555364373.db2.gz PEPXUPNVFREQAZ-UHFFFAOYSA-N -1 0 459.350 4.583 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)Nc4ccc5c(c4)OCO5)cc3s2)cc1 ZINC000013349080 555378794 /nfs/dbraw/zinc/37/87/94/555378794.db2.gz DNPBYTURPIVYEO-UHFFFAOYSA-N -1 0 482.543 4.778 50 0 JJAARM COc1cccc(CNC(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccc(C)cc4)sc3c2)c1 ZINC000013349072 555378933 /nfs/dbraw/zinc/37/89/33/555378933.db2.gz UKAXLPQRFIOHSI-UHFFFAOYSA-N -1 0 482.587 4.736 50 0 JJAARM COc1ccc(NC(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccccc4)sc3c2)c(OC)c1 ZINC000013349351 555379635 /nfs/dbraw/zinc/37/96/35/555379635.db2.gz MTDKEALWTBKCTA-UHFFFAOYSA-N -1 0 484.559 4.758 50 0 JJAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1ncnc2sc(-c3ccccc3)cc21 ZINC000013416453 555397306 /nfs/dbraw/zinc/39/73/06/555397306.db2.gz BAGLTZLTJZPNMR-FQEVSTJZSA-N -1 0 488.594 4.744 50 0 JJAARM CCOc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3OC)c2)cc1OCC ZINC000009714032 555442345 /nfs/dbraw/zinc/44/23/45/555442345.db2.gz SNJJJQSOWCPNSQ-UHFFFAOYSA-N -1 0 470.547 4.546 50 0 JJAARM [O-]c1c([C@H](c2cccs2)N2CCN(c3ccccc3F)CC2)sc2nc(-c3ccco3)nn12 ZINC000009715840 555448589 /nfs/dbraw/zinc/44/85/89/555448589.db2.gz DRFODKSWDURCSO-IBGZPJMESA-N -1 0 481.578 4.869 50 0 JJAARM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)Nc3ccccc3OC)ccc2OC)cc1 ZINC000009613488 555449182 /nfs/dbraw/zinc/44/91/82/555449182.db2.gz WORDMMYRDXTWOA-UHFFFAOYSA-N -1 0 471.535 4.547 50 0 JJAARM COc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccco4)=NN32)c(C(=O)[O-])c1OC ZINC000013535175 555488338 /nfs/dbraw/zinc/48/83/38/555488338.db2.gz KYCVJKBDLNOHBR-ZHRRBRCNSA-N -1 0 499.317 5.000 50 0 JJAARM COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc2ccccc2c1 ZINC000013575806 555514604 /nfs/dbraw/zinc/51/46/04/555514604.db2.gz DYRIMCQRRASQBQ-IWIPYMOSSA-N -1 0 466.493 4.956 50 0 JJAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(C(=O)OCC(=O)N(c2ccccc2)c2ccccc2)cc1 ZINC000013578990 555517420 /nfs/dbraw/zinc/51/74/20/555517420.db2.gz WDRTYCSSQOERCN-JWQCQUIFSA-N -1 0 498.535 4.814 50 0 JJAARM Cc1ccc(NC(=O)[C@@]2(CC(=O)[O-])CC(c3ccccc3OCc3ccccc3)=NO2)c(C)c1 ZINC000013592060 555526872 /nfs/dbraw/zinc/52/68/72/555526872.db2.gz VBRCCOYNBQOYMQ-MHZLTWQESA-N -1 0 458.514 4.859 50 0 JJAARM COc1ccc2nc([N-]S(=O)(=O)c3ccccc3)c(Nc3cc(Cl)ccc3OC)nc2c1 ZINC000009858036 555559444 /nfs/dbraw/zinc/55/94/44/555559444.db2.gz JCLMVCRQUKWGJL-UHFFFAOYSA-N -1 0 470.938 4.845 50 0 JJAARM COc1ccc(C(=O)NC([N-]c2ccc(Br)cn2)(C(F)(F)F)C(F)(F)F)cc1 ZINC000019944206 555562320 /nfs/dbraw/zinc/56/23/20/555562320.db2.gz MSVFJWSEECDEJA-UHFFFAOYSA-N -1 0 472.183 4.516 50 0 JJAARM COc1ccc(C(=O)NC(=S)Nc2cc(Cl)c([O-])c(Cl)c2)cc1Br ZINC000013847600 555634278 /nfs/dbraw/zinc/63/42/78/555634278.db2.gz YNUDDEWDKGDTRJ-UHFFFAOYSA-N -1 0 450.141 4.597 50 0 JJAARM COc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000014009308 555669187 /nfs/dbraw/zinc/66/91/87/555669187.db2.gz KCXACNKMUNSWAY-MTJSOVHGSA-N -1 0 492.915 4.719 50 0 JJAARM CCOc1ccc(-c2nc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C(C)C)cc5)c(=O)c3=4)c(C)o2)cc1 ZINC000010273918 555669351 /nfs/dbraw/zinc/66/93/51/555669351.db2.gz KBPIWMQJPPYNIH-DHIUTWEWSA-N -1 0 473.533 4.666 50 0 JJAARM CCCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1 ZINC000010381906 555702084 /nfs/dbraw/zinc/70/20/84/555702084.db2.gz TUDDSTIKUFSUCP-UHFFFAOYSA-N -1 0 468.579 4.716 50 0 JJAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ncc(C)s3)ccc2Cl)cc1 ZINC000010556638 555727064 /nfs/dbraw/zinc/72/70/64/555727064.db2.gz OVIFTEMPWZAGAH-UHFFFAOYSA-N -1 0 451.957 4.557 50 0 JJAARM COc1ccc(C(=O)NCCSCc2ccsc2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000010906157 555746381 /nfs/dbraw/zinc/74/63/81/555746381.db2.gz MNVUDSHQIYTGPJ-UHFFFAOYSA-N -1 0 476.645 4.529 50 0 JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCCC(=O)NC4CCC(C)CC4)c3=O)c2c1 ZINC000020329129 555775263 /nfs/dbraw/zinc/77/52/63/555775263.db2.gz WEALBOQGINFNOL-UHFFFAOYSA-N -1 0 456.612 4.804 50 0 JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(Cc4ccc(C(=O)NCc5ccccc5)cc4)c3=O)c2c1 ZINC000020331185 555776228 /nfs/dbraw/zinc/77/62/28/555776228.db2.gz JMRGNXQPVKGPPW-UHFFFAOYSA-N -1 0 470.554 4.527 50 0 JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)Nc4cc(C)cc(C)c4)c3=O)c2c1 ZINC000020331306 555776566 /nfs/dbraw/zinc/77/65/66/555776566.db2.gz TWHDIUZVCIGRHU-UHFFFAOYSA-N -1 0 450.564 4.975 50 0 JJAARM O=C(CSc1n[n-]c(=NC(=O)OCc2ccccc2)s1)Nc1ccc(Br)cc1 ZINC000011667665 555798566 /nfs/dbraw/zinc/79/85/66/555798566.db2.gz GFAAVNWHNCXJEQ-UHFFFAOYSA-N -1 0 479.381 4.780 50 0 JJAARM COc1cccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c1OCc1cccc(C(=O)[O-])c1 ZINC000015013535 555855502 /nfs/dbraw/zinc/85/55/02/555855502.db2.gz KBZIZRLLWGMHSX-UDWIEESQSA-N -1 0 478.888 4.723 50 0 JJAARM CC(=O)c1cccc(NC(=O)CSc2nc(-c3ccccc3)[n-]c2S(=O)(=O)c2ccccc2)c1 ZINC000012112499 555909098 /nfs/dbraw/zinc/90/90/98/555909098.db2.gz ICDQVFAPPMQZAT-UHFFFAOYSA-N -1 0 491.594 4.843 50 0 JJAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccccc1OCCOc1ccccc1 ZINC000012137692 555915354 /nfs/dbraw/zinc/91/53/54/555915354.db2.gz HQKSVBGXSKZKIH-UHFFFAOYSA-N -1 0 495.582 4.654 50 0 JJAARM CC(=C\c1ccccc1)/C=C1/SC(=O)N(CCCC(=O)Nc2ccc(C(=O)[O-])cc2)C1=O ZINC000012342791 555955594 /nfs/dbraw/zinc/95/55/94/555955594.db2.gz HYABHBCDDMHYGJ-MJOZVEEZSA-N -1 0 450.516 4.786 50 0 JJAARM [O-]c1c([C@H](c2ccccc2F)N2CCN(c3ccccc3)CC2)sc2nc(-c3ccco3)nn12 ZINC000022852139 555959199 /nfs/dbraw/zinc/95/91/99/555959199.db2.gz RVKWMJCLWAKBSR-NRFANRHFSA-N -1 0 475.549 4.807 50 0 JJAARM Cc1ccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCN(c3ccccc3)CC2)cc1 ZINC000022852396 555959485 /nfs/dbraw/zinc/95/94/85/555959485.db2.gz YTXLGPRTFRWNPZ-QFIPXVFZSA-N -1 0 471.586 4.976 50 0 JJAARM CCc1nc2sc([C@H](c3cccc(Br)c3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000022854512 555960850 /nfs/dbraw/zinc/96/08/50/555960850.db2.gz GUEUJCRVIDHDFV-FQEVSTJZSA-N -1 0 498.450 4.733 50 0 JJAARM CCc1nc2sc([C@H](c3cccc(Cl)c3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000022854500 555960861 /nfs/dbraw/zinc/96/08/61/555960861.db2.gz VYIWZOTZTOMDRD-FQEVSTJZSA-N -1 0 453.999 4.624 50 0 JJAARM CC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2cc(Cl)ccc2Cl)[n-]c1=O ZINC000015729186 555969621 /nfs/dbraw/zinc/96/96/21/555969621.db2.gz TVHYSZSCYMEAGR-UHFFFAOYSA-N -1 0 478.361 4.549 50 0 JJAARM COc1ccc(/C=C(\NC(=O)c2ccc(OCC(C)C)cc2)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000012382355 555971076 /nfs/dbraw/zinc/97/10/76/555971076.db2.gz VEODDOMOXXCZJI-XYGWBWBKSA-N -1 0 488.540 4.838 50 0 JJAARM COC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000015746584 555984642 /nfs/dbraw/zinc/98/46/42/555984642.db2.gz RCNGLQIRQLQASA-KBPBESRZSA-N -1 0 464.337 4.570 50 0 JJAARM COc1ccc(NC(=O)c2cccc3c(C)c(C)[nH]c32)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000012521094 555992384 /nfs/dbraw/zinc/99/23/84/555992384.db2.gz QOKZJTPAIOWHBZ-UHFFFAOYSA-N -1 0 467.522 4.986 50 0 JJAARM CCCOc1ccc(-c2cccc([N-]S(=O)(=O)c3cc(Br)ccc3OCC)c2)nn1 ZINC000015785236 556004172 /nfs/dbraw/zinc/00/41/72/556004172.db2.gz CFUNTFYTPVCWQB-UHFFFAOYSA-N -1 0 492.395 4.894 50 0 JJAARM O=C(N[C@H]1CCOc2ccccc21)c1cc2ccccc2cc1[N-]S(=O)(=O)c1cccs1 ZINC000012548404 556026254 /nfs/dbraw/zinc/02/62/54/556026254.db2.gz ZNYBMWTUNHNDCB-FQEVSTJZSA-N -1 0 464.568 4.956 50 0 JJAARM Cc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000023157795 556026292 /nfs/dbraw/zinc/02/62/92/556026292.db2.gz OPCCMDARFCRADV-LJQANCHMSA-N -1 0 457.962 4.509 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(OCc3cscn3)cc2)cc1 ZINC000012548517 556026888 /nfs/dbraw/zinc/02/68/88/556026888.db2.gz GBFAWJLDEAEMFZ-UHFFFAOYSA-N -1 0 495.582 4.784 50 0 JJAARM COc1ccc(C(=O)Nc2cc3sc([N-]S(=O)(=O)c4ccc(C)cc4)nc3c(C)c2)c(OC)c1 ZINC000015862020 556034479 /nfs/dbraw/zinc/03/44/79/556034479.db2.gz AMLPKUDBLYJBMA-UHFFFAOYSA-N -1 0 497.598 4.983 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)Cc4cccs4)cc3C)s2)cc1 ZINC000015862045 556034860 /nfs/dbraw/zinc/03/48/60/556034860.db2.gz MXXXMAUPWKVODT-UHFFFAOYSA-N -1 0 457.602 4.957 50 0 JJAARM O=C(COc1ccc(Cl)cc1)Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000015862103 556035142 /nfs/dbraw/zinc/03/51/42/556035142.db2.gz FIWLMRJYTDMYMR-UHFFFAOYSA-N -1 0 473.963 4.768 50 0 JJAARM COc1cc(NC(=O)c2cccc(C)c2)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000015862142 556035174 /nfs/dbraw/zinc/03/51/74/556035174.db2.gz XNULLLKSBUIZHW-UHFFFAOYSA-N -1 0 453.545 4.666 50 0 JJAARM COc1cc(NC(=O)c2ccccc2)c(OC)cc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000012556971 556043919 /nfs/dbraw/zinc/04/39/19/556043919.db2.gz POPPDIBRNYNOHK-UHFFFAOYSA-N -1 0 462.527 4.910 50 0 JJAARM COc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(OC)c(Br)c2)c1 ZINC000012560522 556052585 /nfs/dbraw/zinc/05/25/85/556052585.db2.gz QERROGPLMYXCNO-UHFFFAOYSA-N -1 0 491.363 4.519 50 0 JJAARM COc1ccc(CNC(=O)c2ccccc2[N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1 ZINC000023441986 556060611 /nfs/dbraw/zinc/06/06/11/556060611.db2.gz DTSVPSBKVFVFNJ-UHFFFAOYSA-N -1 0 452.576 4.660 50 0 JJAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000012584349 556082008 /nfs/dbraw/zinc/08/20/08/556082008.db2.gz HOPXSOBVCWABRB-JOCHJYFZSA-N -1 0 476.583 4.750 50 0 JJAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000012584342 556082052 /nfs/dbraw/zinc/08/20/52/556082052.db2.gz HOPXSOBVCWABRB-QFIPXVFZSA-N -1 0 476.583 4.750 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)N2CC=C(c3ccccc3)CC2)cc1 ZINC000015949613 556086531 /nfs/dbraw/zinc/08/65/31/556086531.db2.gz BZTYGMNEYAJRSJ-DTQAZKPQSA-N -1 0 474.582 4.825 50 0 JJAARM Cc1coc2c1cc1c(C)c(CC(=O)N[C@H](CSCc3ccccc3)C(=O)[O-])c(=O)oc1c2C ZINC000015953425 556087116 /nfs/dbraw/zinc/08/71/16/556087116.db2.gz KEHQZFHUKYAMAU-OAQYLSRUSA-N -1 0 479.554 4.510 50 0 JJAARM Cc1ccc(C(=O)Nc2cccc(/C=C3\CCn4c3nc3cc(C(=O)[O-])ccc3c4=O)c2)cc1 ZINC000023779171 556088217 /nfs/dbraw/zinc/08/82/17/556088217.db2.gz USNPYQSWSJWIEQ-CPNJWEJPSA-N -1 0 451.482 4.600 50 0 JJAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc(-c2ccc(N3CCC(C)CC3)nn2)cc1 ZINC000017010214 556199860 /nfs/dbraw/zinc/19/98/60/556199860.db2.gz CFYWUPDZMQXQGE-UHFFFAOYSA-N -1 0 466.607 4.806 50 0 JJAARM Cc1ccccc1NC(=O)CSC1=NC(=O)C(C(c2ccccc2)c2ccccc2)C([O-])=N1 ZINC000017163126 556230023 /nfs/dbraw/zinc/23/00/23/556230023.db2.gz WGZVNDXHBOZRMP-UHFFFAOYSA-N -1 0 457.555 4.695 50 0 JJAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Br)cc2)cc1 ZINC000017206405 556240759 /nfs/dbraw/zinc/24/07/59/556240759.db2.gz CESXWPUUAVYJBT-UHFFFAOYSA-N -1 0 485.363 4.945 50 0 JJAARM COc1ccc(OC)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000017252208 556248301 /nfs/dbraw/zinc/24/83/01/556248301.db2.gz KANUXENDTOWABY-UHFFFAOYSA-N -1 0 464.547 4.808 50 0 JJAARM COCCCn1c(=O)c2ccc(C(=O)N[C@H](C)c3ccc(Cl)c(Cl)c3)cc2[n-]c1=S ZINC000017963190 556273181 /nfs/dbraw/zinc/27/31/81/556273181.db2.gz ZWRXIQNFOSCJHP-GFCCVEGCSA-N -1 0 466.390 4.893 50 0 JJAARM Cc1ccc(CSc2ncc(Br)c(C(=O)Nc3cccc(C(=O)[O-])c3)n2)cc1 ZINC000028291963 556328524 /nfs/dbraw/zinc/32/85/24/556328524.db2.gz FKZXDPRKTJRZLZ-UHFFFAOYSA-N -1 0 458.337 4.790 50 0 JJAARM Cc1c(C(=O)[O-])sc2[nH]c(CSc3nc(-c4cccs4)nc4ccccc43)nc(=O)c12 ZINC000013129905 556354302 /nfs/dbraw/zinc/35/43/02/556354302.db2.gz OEEQQQRXWUREEC-UHFFFAOYSA-N -1 0 466.569 4.955 50 0 JJAARM CC(C)(C)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000031651559 556401233 /nfs/dbraw/zinc/40/12/33/556401233.db2.gz WHEZKRYLKDFPPB-UHFFFAOYSA-N -1 0 496.004 4.503 50 0 JJAARM Cc1cc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c(C)s1 ZINC000032531931 556444282 /nfs/dbraw/zinc/44/42/82/556444282.db2.gz DHFAWYLKVHOZAA-UHFFFAOYSA-N -1 0 456.998 4.620 50 0 JJAARM COc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(c3cc(Cl)ccc3C)CC2)cc1 ZINC000032947080 556562276 /nfs/dbraw/zinc/56/22/76/556562276.db2.gz OBMUDHSDOPVHIM-UHFFFAOYSA-N -1 0 479.964 4.934 50 0 JJAARM Cc1ccccc1-n1c2nc(SCC(=O)NCc3ccccc3)[n-]c(=O)c2sc1=S ZINC000032948409 556563707 /nfs/dbraw/zinc/56/37/07/556563707.db2.gz ZYXVYVVBOJNAJT-UHFFFAOYSA-N -1 0 454.602 4.634 50 0 JJAARM CC(=O)c1cccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)[n-]2)c1 ZINC000032948461 556564006 /nfs/dbraw/zinc/56/40/06/556564006.db2.gz XYUSWAYZVCFCNC-UHFFFAOYSA-N -1 0 482.612 4.747 50 0 JJAARM Cc1cc(C)cc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3)c(=O)[n-]2)c1 ZINC000032948548 556564304 /nfs/dbraw/zinc/56/43/04/556564304.db2.gz KJGAPNOKNDHJEV-UHFFFAOYSA-N -1 0 454.602 4.852 50 0 JJAARM Cc1ccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccc(C)cc3)c(=O)[n-]2)cc1 ZINC000032948594 556564342 /nfs/dbraw/zinc/56/43/42/556564342.db2.gz VGYBKIYPBVKMGZ-UHFFFAOYSA-N -1 0 454.602 4.852 50 0 JJAARM Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCN(c4cccc(C)c4C)CC3)c(C(=O)[O-])c2)c1 ZINC000032961631 556578506 /nfs/dbraw/zinc/57/85/06/556578506.db2.gz SVYPWGWIIBZTHR-UHFFFAOYSA-N -1 0 493.629 4.746 50 0 JJAARM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccco4)c3[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000008595828 562944236 /nfs/dbraw/zinc/94/42/36/562944236.db2.gz IPKDRWNSVXFAHM-DEOSSOPVSA-N -1 0 457.486 4.995 50 0 JJAARM COc1ccc(NC(=O)c2ccc3c(c2)nc2c(c3SCC(=O)[O-])CCCC2)c(OC)c1 ZINC000008599166 562945210 /nfs/dbraw/zinc/94/52/10/562945210.db2.gz DPJKQXOZVCXFDX-UHFFFAOYSA-N -1 0 452.532 4.560 50 0 JJAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccccc1Br)c1ccccc1 ZINC000008606728 562946873 /nfs/dbraw/zinc/94/68/73/562946873.db2.gz AOBDWQLOGZMZJM-UHFFFAOYSA-N -1 0 455.337 4.937 50 0 JJAARM CCN(CC)c1ccc(NC(=O)COc2ccccc2C)cc1S(=O)(=O)[N-]c1ccccc1OC ZINC000008685553 562952527 /nfs/dbraw/zinc/95/25/27/562952527.db2.gz PBTUWXCLUPICOD-UHFFFAOYSA-N -1 0 497.617 4.668 50 0 JJAARM CCN(CC)c1ccc(NC(=O)c2ccccc2)cc1S(=O)(=O)[N-]c1ccccc1OC ZINC000008686697 562952955 /nfs/dbraw/zinc/95/29/55/562952955.db2.gz JIZQVCCGYGPFNV-UHFFFAOYSA-N -1 0 453.564 4.595 50 0 aggregator JJAARM CC(=O)c1ccc(S(=O)(=O)Nc2ccc(N3CCC(Cc4ccccc4)CC3)c(C(=O)[O-])c2)cc1 ZINC000032962045 569602848 /nfs/dbraw/zinc/60/28/48/569602848.db2.gz WGUAPGKRPGOJMH-UHFFFAOYSA-N -1 0 492.597 4.847 50 0 JJAARM CC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)cc1 ZINC000032971095 569603732 /nfs/dbraw/zinc/60/37/32/569603732.db2.gz CLEFQRSNOWXRMM-UHFFFAOYSA-N -1 0 492.597 4.847 50 0 JJAARM Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2nc(CN3CCC(C)CC3)cs2)cc1 ZINC000062620523 569613257 /nfs/dbraw/zinc/61/32/57/569613257.db2.gz ZONAHUMFOUQMHS-UHFFFAOYSA-N -1 0 490.676 4.798 50 0 JJAARM Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)[O-])c1 ZINC000064033452 569616204 /nfs/dbraw/zinc/61/62/04/569616204.db2.gz UFSKUSARDNFIRC-UHFFFAOYSA-N -1 0 452.413 4.747 50 0 fda JJAARM CC(C)CC(=O)Nc1ccc2nc(N3CCN(c4cccc(Cl)c4)CC3)cc(C(=O)[O-])c2c1 ZINC000033010369 569616733 /nfs/dbraw/zinc/61/67/33/569616733.db2.gz YWYHYJAKAJZMAX-UHFFFAOYSA-N -1 0 466.969 4.898 50 0 JJAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(Nc2cc(C)nc(Nc3ccc(C)cc3)n2)cc1 ZINC000064471538 569617735 /nfs/dbraw/zinc/61/77/35/569617735.db2.gz PXOQQGYNWWGBHV-UHFFFAOYSA-N -1 0 464.551 4.986 50 0 JJAARM Cn1c2cc([N-]S(=O)(=O)c3ccccc3F)c(Sc3ccc(Cl)cc3)cc2n(C)c1=O ZINC000064580872 569620740 /nfs/dbraw/zinc/62/07/40/569620740.db2.gz LRBMFWIXLJURAI-UHFFFAOYSA-N -1 0 477.970 4.622 50 0 JJAARM O=C([O-])c1cc(N2CCN(c3cccc(Cl)c3)CC2)ccc1NC(=O)c1ccc(F)cc1 ZINC000064589439 569621029 /nfs/dbraw/zinc/62/10/29/569621029.db2.gz SIDBPVNDRZQWTL-UHFFFAOYSA-N -1 0 453.901 4.756 50 0 JJAARM COc1ccccc1C(=O)Nc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cc1C(=O)[O-] ZINC000064590162 569621326 /nfs/dbraw/zinc/62/13/26/569621326.db2.gz QPGGNPHILBFDCA-UHFFFAOYSA-N -1 0 465.937 4.626 50 0 JJAARM COc1ccccc1C(=O)Nc1ccc(N2CCN(c3cccc(C)c3C)CC2)cc1C(=O)[O-] ZINC000064590170 569621366 /nfs/dbraw/zinc/62/13/66/569621366.db2.gz IELBBNLDNZSUON-UHFFFAOYSA-N -1 0 459.546 4.589 50 0 JJAARM CCOc1ccccc1N1CCN(c2ccc(NC(=O)Cc3ccc(C)cc3)c(C(=O)[O-])c2)CC1 ZINC000064590438 569621440 /nfs/dbraw/zinc/62/14/40/569621440.db2.gz MGSRGQVMRJKUMA-UHFFFAOYSA-N -1 0 473.573 4.600 50 0 JJAARM Cc1ccc(CC(=O)Nc2ccc(N3CCN(c4cccc(Cl)c4)CC3)cc2C(=O)[O-])cc1 ZINC000064590432 569621507 /nfs/dbraw/zinc/62/15/07/569621507.db2.gz HVSKARLLYNBZIW-UHFFFAOYSA-N -1 0 463.965 4.854 50 0 JJAARM CC(C)C(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)[n-]c1=O ZINC000064687501 569623764 /nfs/dbraw/zinc/62/37/64/569623764.db2.gz KUGXTIMQTSMIQI-UHFFFAOYSA-N -1 0 492.388 4.876 50 0 JJAARM CC(C)C(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)[n-]c1=O ZINC000064687507 569623864 /nfs/dbraw/zinc/62/38/64/569623864.db2.gz SXGYRERGZWDWGV-UHFFFAOYSA-N -1 0 491.495 4.588 50 0 JJAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(S[C@H](C)C(=O)Nc2cc(C)ccc2C)[n-]c1=O ZINC000064774534 569626530 /nfs/dbraw/zinc/62/65/30/569626530.db2.gz KAWVDMRUPRXWCJ-MRXNPFEDSA-N -1 0 465.579 4.556 50 0 JJAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(S[C@@H](C)C(=O)Nc2cccc(Cl)c2)[n-]c1=O ZINC000064774502 569626554 /nfs/dbraw/zinc/62/65/54/569626554.db2.gz KKYZYCHXZIIEOT-ZDUSSCGKSA-N -1 0 471.970 4.592 50 0 JJAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(S[C@H](C)C(=O)Nc2cc(C)cc(C)c2)[n-]c1=O ZINC000064774540 569626675 /nfs/dbraw/zinc/62/66/75/569626675.db2.gz MNNCDDZBBMDGOF-MRXNPFEDSA-N -1 0 465.579 4.556 50 0 JJAARM Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccccc2NC(=O)C(C)C)c(=O)[n-]1 ZINC000064774568 569626701 /nfs/dbraw/zinc/62/67/01/569626701.db2.gz DOTMKVIDZZELDU-UHFFFAOYSA-N -1 0 471.970 4.531 50 0 JJAARM CC(C)C(=O)Nc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)[n-]c1=O ZINC000064774591 569626707 /nfs/dbraw/zinc/62/67/07/569626707.db2.gz XNNKQPFOWSWXDL-LBPRGKRZSA-N -1 0 489.960 4.751 50 0 JJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2cc(OC)c(OC)cc2OC)CC(=O)N3)cc1 ZINC000064796817 569630250 /nfs/dbraw/zinc/63/02/50/569630250.db2.gz AAGUKLCMZNPISH-HNNXBMFYSA-N -1 0 469.515 4.622 50 0 JJAARM CCn1nc(C)c(CCN(C)c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(Br)cc2)c1C ZINC000064820724 569636134 /nfs/dbraw/zinc/63/61/34/569636134.db2.gz VKBXWCWGWMFTBY-UHFFFAOYSA-N -1 0 499.409 4.912 50 0 JJAARM CCn1nc(C)c(CCN(C)c2ccc(C(=O)[O-])cc2NC(=O)c2ccccc2Cl)c1C ZINC000064820280 569636196 /nfs/dbraw/zinc/63/61/96/569636196.db2.gz XOKGQVVSEBMFMY-UHFFFAOYSA-N -1 0 454.958 4.803 50 0 JJAARM CC[C@H](C)NC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)nc1 ZINC000065063470 569656677 /nfs/dbraw/zinc/65/66/77/569656677.db2.gz PTQPMXHPRUNPRG-ZDUSSCGKSA-N -1 0 465.984 4.918 50 0 JJAARM O=C(CCc1nnc(-c2ccc(OCc3ccccc3Cl)cc2)[n-]c1=O)NC1CCCCC1 ZINC000034763384 569658130 /nfs/dbraw/zinc/65/81/30/569658130.db2.gz HQUWBXYUJHJYTP-UHFFFAOYSA-N -1 0 466.969 4.858 50 0 JJAARM O=C(CCc1nnc(-c2ccc(OCC3CCC3)cc2)[n-]c1=O)N1CCC(Cc2ccccc2)CC1 ZINC000034764036 569658273 /nfs/dbraw/zinc/65/82/73/569658273.db2.gz LIDOCWZYELZLOU-UHFFFAOYSA-N -1 0 486.616 4.837 50 0 JJAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Oc2nc3ccccc3n3c(C)nnc23)cc1 ZINC000065096436 569660881 /nfs/dbraw/zinc/66/08/81/569660881.db2.gz CEQIVTKDMUURDY-UHFFFAOYSA-N -1 0 495.948 4.841 50 0 JJAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)sc1C(=O)N1CCCC1 ZINC000065116960 569666835 /nfs/dbraw/zinc/66/68/35/569666835.db2.gz WYWTVOUVEUHAJA-UHFFFAOYSA-N -1 0 461.634 4.834 50 0 JJAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccccc3F)c2)sc1C(=O)N1CCCCC1 ZINC000065117093 569667099 /nfs/dbraw/zinc/66/70/99/569667099.db2.gz GHNJIKLGDBPSCZ-UHFFFAOYSA-N -1 0 465.597 4.746 50 0 JJAARM CCC(=O)Nc1ccccc1-c1nnc(S[C@H](CC)C(=O)Nc2cccc(Cl)c2)[n-]c1=O ZINC000035377952 569685514 /nfs/dbraw/zinc/68/55/14/569685514.db2.gz TVZSIKBPIKZCKP-QGZVFWFLSA-N -1 0 471.970 4.756 50 0 JJAARM CCC(=O)Nc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)[n-]c1=O ZINC000035377965 569685603 /nfs/dbraw/zinc/68/56/03/569685603.db2.gz IBGYQCDAGDNDEH-ZDUSSCGKSA-N -1 0 471.970 4.674 50 0 JJAARM Cc1nc2cccnc2n1C1CCN(c2ccc(NC(=O)c3ccccc3)cc2C(=O)[O-])CC1 ZINC000035451218 569696725 /nfs/dbraw/zinc/69/67/25/569696725.db2.gz BIEFSEGPZLBFDF-UHFFFAOYSA-N -1 0 455.518 4.532 50 0 JJAARM O=C1NC(=Cc2c(=O)n(-c3ccccc3)[n-]c2Cc2ccccc2)C(=O)N1Cc1cccc(Cl)c1 ZINC000035829472 569712910 /nfs/dbraw/zinc/71/29/10/569712910.db2.gz PSIYRZUTUYPOEZ-JLPGSUDCSA-N -1 0 484.943 4.915 50 0 JJAARM O=C1NC(=Cc2c(=O)n(-c3ccccc3)[n-]c2Cc2cccs2)C(=O)N1Cc1ccc(F)cc1F ZINC000035829520 569713079 /nfs/dbraw/zinc/71/30/79/569713079.db2.gz YKUZBMPNOQFYIX-XKZIYDEJSA-N -1 0 492.507 4.601 50 0 JJAARM CCc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=C1NC(=O)N(Cc2cccc(Cl)c2)C1=O ZINC000035836832 569713510 /nfs/dbraw/zinc/71/35/10/569713510.db2.gz LEGYVRJRWYTMGQ-ODLFYWEKSA-N -1 0 457.317 4.540 50 0 JJAARM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3ccc(O)c(Cl)c3)CC(=O)O4)c2=O)cc1 ZINC000085878664 569716248 /nfs/dbraw/zinc/71/62/48/569716248.db2.gz UTMSCRMJLVCNRR-HNNXBMFYSA-N -1 0 464.857 4.974 50 0 biogenic JJAARM COc1ccc2cc([C@@H]3CC(c4cccc(C)c4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc2c1 ZINC000089669212 569719526 /nfs/dbraw/zinc/71/95/26/569719526.db2.gz FCFAJWFPFFAMAK-NRFANRHFSA-N -1 0 451.910 4.748 50 0 JJAARM O=C([O-])c1ccc2c(c1)nc(CCNC(=O)c1cccc(F)c1)n2Cc1cccc(C(F)(F)F)c1 ZINC000035946033 569733202 /nfs/dbraw/zinc/73/32/02/569733202.db2.gz APSGWPUZSQNRKN-UHFFFAOYSA-N -1 0 485.437 4.913 50 0 JJAARM COC(=O)C[C@H](c1cc(OC)cc(OC)c1)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096115722 569734745 /nfs/dbraw/zinc/73/47/45/569734745.db2.gz IXFWTFHYDYHNBI-OAQYLSRUSA-N -1 0 476.481 4.583 50 0 biogenic JJAARM COc1ccc2occ([C@@H]3CC(=O)Oc4cc([O-])c5c(=O)cc(-c6ccccc6)oc5c43)c(=O)c2c1 ZINC000096115990 569735030 /nfs/dbraw/zinc/73/50/30/569735030.db2.gz SJAYSISSMATSJC-INIZCTEOSA-N -1 0 482.444 4.722 50 0 biogenic JJAARM COC(=O)C[C@@H](c1cc2cc(C)ccc2[nH]c1=O)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096221585 569739071 /nfs/dbraw/zinc/73/90/71/569739071.db2.gz XKJUFEIBFNNELP-FQEVSTJZSA-N -1 0 497.503 4.716 50 0 biogenic JJAARM CCOC(=O)c1c2c(sc1NC(=O)C[C@@H]([N-]C(=O)C(F)(F)F)c1ccc(OC)cc1)CCCC2 ZINC000096594158 569742393 /nfs/dbraw/zinc/74/23/93/569742393.db2.gz YTPHKAQFKSDWHJ-MRXNPFEDSA-N -1 0 498.523 4.561 50 0 JJAARM O=C1C(=Cc2cc(Br)cc(Br)c2[O-])NC(=S)N1c1ccc(Cl)cc1 ZINC000100290639 569756796 /nfs/dbraw/zinc/75/67/96/569756796.db2.gz HFVBKPAODCUXGV-MLPAPPSSSA-N -1 0 488.588 4.833 50 0 JJAARM CC(C)CCn1c(=O)c(C(=O)Nc2ccc(I)cc2)c([O-])c2ccccc21 ZINC000100475181 569761808 /nfs/dbraw/zinc/76/18/08/569761808.db2.gz MWTPEHBADQOCMG-UHFFFAOYSA-N -1 0 476.314 4.610 50 0 JJAARM CC(=O)c1ccc(NC(=O)C(=O)C(=C([O-])c2ccc3ccccc3c2)[C@@H]2OC(=O)c3ccccc32)cc1 ZINC000100721816 569767744 /nfs/dbraw/zinc/76/77/44/569767744.db2.gz LDIQKLGDYAMPSG-LEAFIULHSA-N -1 0 491.499 4.961 50 0 JJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@]2(CC(=O)N3)c3cc(F)ccc3N(CC(C)C)C2=O)cc1 ZINC000036366816 569773020 /nfs/dbraw/zinc/77/30/20/569773020.db2.gz SWIAEYLQQTUVBV-SANMLTNESA-N -1 0 494.544 4.892 50 0 JJAARM CCOC(=O)[C@H]1CCCN([C@H](c2sc3nc(CC)nn3c2[O-])c2ccc(Cl)cc2Cl)C1 ZINC000036370451 569773421 /nfs/dbraw/zinc/77/34/21/569773421.db2.gz FKOFRYWHPAQGLA-SJCJKPOMSA-N -1 0 483.421 4.730 50 0 JJAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3Cl)cnn2[C@@H](c2ccc(Br)cc2)C1 ZINC000101071661 569781222 /nfs/dbraw/zinc/78/12/22/569781222.db2.gz VXHTUFWMKMYUAZ-QGZVFWFLSA-N -1 0 473.714 4.535 50 0 JJAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3Cl)cnn2[C@H](c2cccc(Br)c2)C1 ZINC000101100856 569782754 /nfs/dbraw/zinc/78/27/54/569782754.db2.gz NAMVFBLWFUCXER-KRWDZBQOSA-N -1 0 473.714 4.535 50 0 JJAARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=C(NCc2ccccc2C(F)(F)F)Nc2ccccc2)C1=O ZINC000101382554 569795492 /nfs/dbraw/zinc/79/54/92/569795492.db2.gz BLZWICNQUCUHOR-DQRAZIAOSA-N -1 0 494.473 4.710 50 0 JJAARM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=C(NCc1ccccc1C(F)(F)F)Nc1ccccc1 ZINC000101382499 569795497 /nfs/dbraw/zinc/79/54/97/569795497.db2.gz FCCNJXRZZHKCCS-MRCUWXFGSA-N -1 0 498.436 4.541 50 0 JJAARM COc1ccc([C@H]2CC(c3c([O-])n(C)c(=S)n(C)c3=O)=Nc3ccccc3S2)cc1OC ZINC000101494950 569800150 /nfs/dbraw/zinc/80/01/50/569800150.db2.gz HLLPKGSXVQFOJF-LJQANCHMSA-N -1 0 469.588 4.534 50 0 JJAARM Cc1cc(C)cc(-n2c(=O)[nH]c([O-])c(C3=Nc4ccccc4S[C@@H](c4cccc(O)c4)C3)c2=O)c1 ZINC000101766839 569805025 /nfs/dbraw/zinc/80/50/25/569805025.db2.gz GNDHZTYLQINGJF-HSZRJFAPSA-N -1 0 485.565 4.912 50 0 JJAARM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000040115215 569816304 /nfs/dbraw/zinc/81/63/04/569816304.db2.gz RSLKMQLIAZVHQU-HXUWFJFHSA-N -1 0 464.465 4.777 50 0 JJAARM CCc1cccc(CC)c1[N-]S(=O)(=O)c1cc2c(cc1Br)C[C@H](C)N2C(C)=O ZINC000040450669 569828747 /nfs/dbraw/zinc/82/87/47/569828747.db2.gz SSCVOCCGJCAIAF-ZDUSSCGKSA-N -1 0 465.413 4.672 50 0 JJAARM CCc1cccc(CC)c1[N-]S(=O)(=O)c1cc2c(cc1Br)C[C@@H](C)N2C(C)=O ZINC000040450670 569828931 /nfs/dbraw/zinc/82/89/31/569828931.db2.gz SSCVOCCGJCAIAF-CYBMUJFWSA-N -1 0 465.413 4.672 50 0 JJAARM [O-]C(c1cccs1)=C1[C@H](c2cccc(Oc3ccccc3)c2)NC(=S)N[C@]1(O)C(F)(F)F ZINC000103159691 569833509 /nfs/dbraw/zinc/83/35/09/569833509.db2.gz IXWCHYZBZNMLHS-BBTUJRGHSA-N -1 0 478.517 4.809 50 0 JJAARM COc1cccc(N2C(=O)[C@@H]3ON(c4cccc(Br)c4)[C@@H](c4ccc(C)cc4)[C@@H]3C2=O)c1 ZINC000103194821 569833772 /nfs/dbraw/zinc/83/37/72/569833772.db2.gz VSXXGGUJNSHFKH-RJGXRXQPSA-N -1 0 493.357 4.817 50 0 JJAARM CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(SC)cc4)[C@@H]3C2=O)cc1 ZINC000136256408 569864643 /nfs/dbraw/zinc/86/46/43/569864643.db2.gz NCVJUURNGMHNGL-KMDXXIMOSA-N -1 0 460.555 4.858 50 0 JJAARM N=C(S[C@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000169683047 569871015 /nfs/dbraw/zinc/87/10/15/569871015.db2.gz IPYVDRZOMIZEKU-PKTZIBPZSA-N -1 0 498.564 4.536 50 0 JJAARM Cc1c2oc3c(c2cc2c(C)c(CCC(=O)NC[C@H]4CC[C@@H](C(=O)[O-])CC4)c(=O)oc12)CCCC3 ZINC000217443610 569880016 /nfs/dbraw/zinc/88/00/16/569880016.db2.gz UJDIPMBAYFZDCZ-IYARVYRRSA-N -1 0 479.573 4.975 50 0 JJAARM O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(C(F)(F)F)cc3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000229890377 570041791 /nfs/dbraw/zinc/04/17/91/570041791.db2.gz HTJTWHGBPTWKES-PWRODBHTSA-N -1 0 456.395 4.896 50 0 JJAARM COc1cccc(-n2c(O)c3c(c2O)[C@@H](c2cccc4ccccc42)N(c2ccccc2)O3)c1 ZINC000245311357 570063520 /nfs/dbraw/zinc/06/35/20/570063520.db2.gz NXNRZMZYTUWXGY-TWJOJJKGSA-N -1 0 450.494 4.900 50 0 JJAARM C[C@@H]1C[C@H](C)[C@H]2N(C1)c1ccccc1C[C@]21C(=O)[N-]C(=O)N(c2cc(Cl)ccc2Cl)C1=O ZINC000248111587 570074149 /nfs/dbraw/zinc/07/41/49/570074149.db2.gz SPJVHAQEQMRTBO-CLYCUISWSA-N -1 0 472.372 4.670 50 0 JJAARM Cc1cc(N=NCc2cccnc2)nc(-c2cc(Br)cc(Br)c2[O-])n1 ZINC000252603981 570085325 /nfs/dbraw/zinc/08/53/25/570085325.db2.gz FWAAZCWWKKMKRH-UHFFFAOYSA-N -1 0 463.133 4.524 50 0 JJAARM COc1cc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000252628246 570088757 /nfs/dbraw/zinc/08/87/57/570088757.db2.gz SLOXYCFIBLYCLA-YSLRYHGZSA-N -1 0 478.526 4.944 50 0 JJAARM Cc1c(O[C@@H](C)C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000253387622 570095392 /nfs/dbraw/zinc/09/53/92/570095392.db2.gz HVDQBOGXNAWROE-BJLQDIEVSA-N -1 0 463.530 4.543 50 0 JJAARM COc1cc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(Cl)cc5)coc4c32)cc(OC)c1O ZINC000253414659 570098705 /nfs/dbraw/zinc/09/87/05/570098705.db2.gz YCZZFMHHDJOBOZ-HNNXBMFYSA-N -1 0 494.883 4.983 50 0 JJAARM Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@H](c1ccc(-c3ccccc3C(=O)[O-])o1)CC(=O)O2 ZINC000253415204 570098802 /nfs/dbraw/zinc/09/88/02/570098802.db2.gz ZZJLNXREYJESFS-NRFANRHFSA-N -1 0 485.492 4.504 50 0 JJAARM Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@@H](c1ccc(-c3ccccc3C(=O)[O-])o1)CC(=O)O2 ZINC000253415205 570098814 /nfs/dbraw/zinc/09/88/14/570098814.db2.gz ZZJLNXREYJESFS-OAQYLSRUSA-N -1 0 485.492 4.504 50 0 JJAARM COc1cc([C@@H](CC(=O)Nc2ccc(C(F)(F)F)cc2)c2c([O-])cc(C)oc2=O)cc2c1OCO2 ZINC000253471183 570099267 /nfs/dbraw/zinc/09/92/67/570099267.db2.gz NLPAANRGXUCLTE-MRXNPFEDSA-N -1 0 491.418 4.571 50 0 JJAARM COC(=O)C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(=O)CCC(=O)[O-])CC[C@]4(C)[C@@H]3CC(=O)[C@]21C ZINC000257346883 570151969 /nfs/dbraw/zinc/15/19/69/570151969.db2.gz CQMZFUHXKMOZCK-NNWINJLGSA-N -1 0 490.637 4.800 50 0 JJAARM COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2ccsc2)cc1OC ZINC000263585680 570171183 /nfs/dbraw/zinc/17/11/83/570171183.db2.gz LHQHMAQSAROYLN-CQSZACIVSA-N -1 0 450.468 4.685 50 0 JJAARM O=C(c1ccc(Cl)cc1)c1ccc2c(c1[O-])[C@@H](c1cc3cccc4c3n(c1=O)CCC4)CC(=O)O2 ZINC000263585814 570171370 /nfs/dbraw/zinc/17/13/70/570171370.db2.gz MWVKERDRHSSONP-HXUWFJFHSA-N -1 0 485.923 4.979 50 0 JJAARM COc1ccc(Oc2cccc(Cl)c2CNC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001032832 194006248 /nfs/dbraw/zinc/00/62/48/194006248.db2.gz VDLYACFCTOXKNO-UHFFFAOYSA-N -1 0 460.939 4.637 50 0 JJAARM O=C(CN1C(=O)S/C(=C\c2cc(Cl)cc(Br)c2[O-])C1=O)Nc1ccccc1F ZINC000001011462 194002953 /nfs/dbraw/zinc/00/29/53/194002953.db2.gz CKLGFWLDCKWTBE-NSIKDUERSA-N -1 0 485.718 4.622 50 0 JJAARM CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1 ZINC000001076880 194018515 /nfs/dbraw/zinc/01/85/15/194018515.db2.gz OKPFKAKSFJZSKP-UHFFFAOYSA-N -1 0 472.950 4.878 50 0 JJAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)no1 ZINC000001113390 194028491 /nfs/dbraw/zinc/02/84/91/194028491.db2.gz BJZPYXJIIXAMMT-YCRREMRBSA-N -1 0 452.319 4.743 50 0 JJAARM CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)cc1 ZINC000001111018 194027552 /nfs/dbraw/zinc/02/75/52/194027552.db2.gz DCVVXFWBTCZIRH-UHFFFAOYSA-N -1 0 458.923 4.570 50 0 JJAARM COc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1 ZINC000001079287 194019692 /nfs/dbraw/zinc/01/96/92/194019692.db2.gz UMBXSACJCWHRGS-UHFFFAOYSA-N -1 0 458.967 4.696 50 0 JJAARM CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000001081450 194020553 /nfs/dbraw/zinc/02/05/53/194020553.db2.gz IHZFLORRBDPBPS-UZUQRXQVSA-N -1 0 480.561 4.768 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCSc3ccc(C)cc3)cc2)c(OC)c1 ZINC000001128877 194038002 /nfs/dbraw/zinc/03/80/02/194038002.db2.gz UCMKMBTUGXIGPL-UHFFFAOYSA-N -1 0 486.615 4.934 50 0 JJAARM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2Br)cc1 ZINC000001136153 194042120 /nfs/dbraw/zinc/04/21/20/194042120.db2.gz IGNILOJIMSHDSI-UHFFFAOYSA-N -1 0 473.348 4.705 50 0 JJAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2Br)cc1 ZINC000001136411 194042268 /nfs/dbraw/zinc/04/22/68/194042268.db2.gz GVJAQGYZLHKCSW-UHFFFAOYSA-N -1 0 475.364 4.901 50 0 JJAARM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)cc1 ZINC000001149310 194049671 /nfs/dbraw/zinc/04/96/71/194049671.db2.gz MDCNXHYECONAPM-UHFFFAOYSA-N -1 0 471.387 4.903 50 0 JJAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CSc2ccc(C)cc2)cc1 ZINC000001150836 194050327 /nfs/dbraw/zinc/05/03/27/194050327.db2.gz OSFCHHCKVNAZDI-UHFFFAOYSA-N -1 0 456.589 4.844 50 0 JJAARM CN(C)c1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000001184461 194063809 /nfs/dbraw/zinc/06/38/09/194063809.db2.gz JOBJTJYFULXSTO-UHFFFAOYSA-N -1 0 453.955 4.894 50 0 JJAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3cc4cc(OC)ccc4nc3Cl)C2)cc1 ZINC000001300729 194082567 /nfs/dbraw/zinc/08/25/67/194082567.db2.gz SUHQMSKDNSSFEN-QFIPXVFZSA-N -1 0 481.936 4.838 50 0 JJAARM O=S(=O)([N-]c1nc2ccccc2nc1NCc1ccccc1)c1ccc(Br)cc1 ZINC000001786876 194140091 /nfs/dbraw/zinc/14/00/91/194140091.db2.gz LNPGOFFQKJJSDN-UHFFFAOYSA-N -1 0 469.364 4.805 50 0 JJAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3Cl)cc2)no1 ZINC000001802141 194143189 /nfs/dbraw/zinc/14/31/89/194143189.db2.gz ZEGZXFHDQGNRKK-UHFFFAOYSA-N -1 0 484.361 4.888 50 0 JJAARM O=C(c1ccc(Cn2c(=O)c3cc(Br)ccc3[n-]c2=S)cc1)N1CCCCCC1 ZINC000002973628 194189860 /nfs/dbraw/zinc/18/98/60/194189860.db2.gz JNXITSDWQBGLCS-UHFFFAOYSA-N -1 0 472.408 4.512 50 0 JJAARM O=C(CCCCCn1c(=O)c2cc(Br)ccc2[n-]c1=S)N1CCc2ccccc2C1 ZINC000002973904 194190007 /nfs/dbraw/zinc/19/00/07/194190007.db2.gz XQYGWUPFZXUJJU-UHFFFAOYSA-N -1 0 486.435 4.593 50 0 JJAARM CCOc1cc2[n-]c(=S)n(CCCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c(=O)c2cc1OCC ZINC000003010266 194203678 /nfs/dbraw/zinc/20/36/78/194203678.db2.gz ZNIIEUBXFLCQAK-XYJFISCASA-N -1 0 461.628 4.578 50 0 JJAARM COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)[O-] ZINC000002999607 194198854 /nfs/dbraw/zinc/19/88/54/194198854.db2.gz GAZZVRYNERQSFV-FRKPEAEDSA-N -1 0 454.287 4.706 50 0 JJAARM COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)s2)c(OC)c1 ZINC000003328349 194284262 /nfs/dbraw/zinc/28/42/62/194284262.db2.gz PINMGYIJVXXKNQ-UHFFFAOYSA-N -1 0 476.967 4.906 50 0 JJAARM COc1ccccc1CC(=O)Nc1ccc(OC)c([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000003457621 194330101 /nfs/dbraw/zinc/33/01/01/194330101.db2.gz AUXWDPNDPPUQNN-UHFFFAOYSA-N -1 0 495.384 4.993 50 0 JJAARM CCOC(=O)NC([N-]c1sc2c(c1C(=O)OC)CCCCC2)(C(F)(F)F)C(F)(F)F ZINC000003671513 194358738 /nfs/dbraw/zinc/35/87/38/194358738.db2.gz IDKJMWZFPMNLBO-UHFFFAOYSA-N -1 0 462.412 4.783 50 0 JJAARM CCOC(=O)c1c(-c2cccc3ccccc32)csc1NC(=O)[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-] ZINC000008456114 194453660 /nfs/dbraw/zinc/45/36/60/194453660.db2.gz JDAGGLNVGHBHEU-ZFMNYDKASA-N -1 0 465.527 4.562 50 0 JJAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(CC(C)C)C(=O)C(C)(C)CO2 ZINC000009172690 194579859 /nfs/dbraw/zinc/57/98/59/194579859.db2.gz KMTZWEZRAHNBBO-UHFFFAOYSA-N -1 0 460.596 4.520 50 0 JJAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]12 ZINC000009860969 195001569 /nfs/dbraw/zinc/00/15/69/195001569.db2.gz LEPDSAHNOZDVCS-YRSZXAOTSA-N -1 0 464.304 4.629 50 0 JJAARM CCOc1cc2c(cc1NC(=O)CCCCCn1c(=O)c3ccccc3[n-]c1=S)O[C@H](C)C2 ZINC000012638828 195069128 /nfs/dbraw/zinc/06/91/28/195069128.db2.gz HNHPWBYUKWKGHJ-MRXNPFEDSA-N -1 0 467.591 4.980 50 0 JJAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(C4CC4)nc4c3cnn4C(C)C)cc2)c1C ZINC000012785630 195127665 /nfs/dbraw/zinc/12/76/65/195127665.db2.gz MPKAHMFOYAYHLX-UHFFFAOYSA-N -1 0 494.577 4.548 50 0 JJAARM O=S(=O)([N-]c1ccccc1-c1n[nH]c(C2CC2)n1)c1cc(Br)ccc1Br ZINC000012788110 195129724 /nfs/dbraw/zinc/12/97/24/195129724.db2.gz SOKUFRQYDQFQIZ-UHFFFAOYSA-N -1 0 498.200 4.675 50 0 JJAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1 ZINC000020745369 195215059 /nfs/dbraw/zinc/21/50/59/195215059.db2.gz BVXQBQAHSBWEJC-SFHVURJKSA-N -1 0 474.369 4.953 50 0 JJAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(Nc2cc(C)nc(NC3CCCCC3)n2)cc1 ZINC000064802052 430308086 /nfs/dbraw/zinc/30/80/86/430308086.db2.gz 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485.997 4.982 50 0 JJAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@@H](CC)C(=O)Nc2ccc(F)cc2)[n-]c1=O ZINC000021882707 521204538 /nfs/dbraw/zinc/20/45/38/521204538.db2.gz MMIQZFHWLVJVKX-SFHVURJKSA-N -1 0 469.542 4.550 50 0 JJAARM CCOc1cccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(Br)cc3)n2)c1O ZINC000020492188 521313024 /nfs/dbraw/zinc/31/30/24/521313024.db2.gz GSPCUXBLFOZBNT-UHFFFAOYSA-N -1 0 454.280 4.857 50 0 JJAARM CCOc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000002339973 521555743 /nfs/dbraw/zinc/55/57/43/521555743.db2.gz LEJMOQMKEXFYCK-UHFFFAOYSA-N -1 0 478.559 4.578 50 0 JJAARM CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1cc(OC)c(OC)c(OC)c1 ZINC000012414881 521620310 /nfs/dbraw/zinc/62/03/10/521620310.db2.gz ZSDKGLWTISJXLL-UHFFFAOYSA-N -1 0 491.587 4.727 50 0 JJAARM CCCn1nc(C)cc1CN(C)c1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1C(=O)[O-] ZINC000033253808 521669388 /nfs/dbraw/zinc/66/93/88/521669388.db2.gz AHZVFGHADZRDRP-UHFFFAOYSA-N -1 0 484.622 4.860 50 0 JJAARM COc1cc(/C=C/c2nc3cc(Cl)ccc3c(=O)n2-c2ccc(C(=O)[O-])cc2)cc(OC)c1OC ZINC000009489932 521943934 /nfs/dbraw/zinc/94/39/34/521943934.db2.gz GQCBLGHYXKXIQL-NYYWCZLTSA-N -1 0 492.915 4.934 50 0 JJAARM COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCC(=O)[O-] ZINC000033424149 521954213 /nfs/dbraw/zinc/95/42/13/521954213.db2.gz WNHWUHTYDYQDSO-FRKPEAEDSA-N -1 0 498.738 4.815 50 0 JJAARM COc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000002123744 521966958 /nfs/dbraw/zinc/96/69/58/521966958.db2.gz OWLGGBFBABAIKO-MTJSOVHGSA-N -1 0 492.915 4.719 50 0 JJAARM COc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000002165187 521972487 /nfs/dbraw/zinc/97/24/87/521972487.db2.gz DMPZWKOPPPFGOF-NVNXTCNLSA-N -1 0 454.287 4.706 50 0 JJAARM COc1cc(Cl)c([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)cs2)c(OC)c1 ZINC000033299223 522531292 /nfs/dbraw/zinc/53/12/92/522531292.db2.gz WMLWEGSBMKVETM-UHFFFAOYSA-N -1 0 468.862 4.893 50 0 JJAARM COc1cc([N-]S(=O)(=O)c2c3oc(C(=O)N4CCCCC4)c(C)c3cc(C)c2C)cc(OC)c1 ZINC000065010600 522753534 /nfs/dbraw/zinc/75/35/34/522753534.db2.gz MKYQZBFDLKTNAR-UHFFFAOYSA-N -1 0 486.590 4.802 50 0 JJAARM COc1cc(OC)c(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(Br)cc3)n2)cc1OC ZINC000020492144 522785541 /nfs/dbraw/zinc/78/55/41/522785541.db2.gz UCGTVJGNBLFEMU-UHFFFAOYSA-N -1 0 484.306 4.778 50 0 JJAARM CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2cccc(Cl)c2C)c1 ZINC000065116158 522902879 /nfs/dbraw/zinc/90/28/79/522902879.db2.gz OROXJTGNNGWYTK-UHFFFAOYSA-N -1 0 463.943 4.634 50 0 JJAARM COc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(Br)cc3)n2)c(OC)c1OC ZINC000020492146 523101634 /nfs/dbraw/zinc/10/16/34/523101634.db2.gz DFXBPJFGQCEFQW-UHFFFAOYSA-N -1 0 484.306 4.778 50 0 JJAARM COc1ccc(/C=C/C(=O)Nc2cc(S(=O)(=O)[N-]c3ccccc3OC)ccc2Cl)cc1 ZINC000005940991 523397669 /nfs/dbraw/zinc/39/76/69/523397669.db2.gz LRDHRLUPWRGEHY-NTEUORMPSA-N -1 0 472.950 4.810 50 0 JJAARM COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000033170652 523439209 /nfs/dbraw/zinc/43/92/09/523439209.db2.gz QRXPKFKARBKWBR-LUAWRHEFSA-N -1 0 455.536 4.538 50 0 JJAARM CCn1nc(C)c(CCN(C)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)[O-])c1C ZINC000046053610 523633302 /nfs/dbraw/zinc/63/33/02/523633302.db2.gz RQOZMKKJHOOWEC-UHFFFAOYSA-N -1 0 454.958 4.803 50 0 JJAARM CCc1c(C)nc2ncnn2c1Sc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000033122315 523715049 /nfs/dbraw/zinc/71/50/49/523715049.db2.gz DJNUCPXIQCNAPW-UHFFFAOYSA-N -1 0 459.984 4.601 50 0 JJAARM COc1ccc(C(=O)Nc2ccc(N3CCN(c4ccccc4Cl)CC3)c(C(=O)[O-])c2)cc1 ZINC000033078506 523751221 /nfs/dbraw/zinc/75/12/21/523751221.db2.gz VXVPADXGOHNDLG-UHFFFAOYSA-N -1 0 465.937 4.626 50 0 JJAARM CCc1cc2c(cc1O[C@@H](C)C(=O)NCC1CCC(C(=O)[O-])CC1)oc(=O)cc2-c1ccccc1 ZINC000008789197 523845349 /nfs/dbraw/zinc/84/53/49/523845349.db2.gz BLKPFCUMGVQKSL-XPQZIERPSA-N -1 0 477.557 4.797 50 0 biogenic JJAARM COC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000008444457 524023810 /nfs/dbraw/zinc/02/38/10/524023810.db2.gz SREUXJMFLPMDPL-UONOGXRCSA-N -1 0 466.353 4.794 50 0 JJAARM COc1ccc(C[NH2+]Cc2c(C)n(Cc3ccc(F)cc3Cl)c(C)c2C(=O)[O-])cc1OC ZINC000008932779 524072533 /nfs/dbraw/zinc/07/25/33/524072533.db2.gz DTWZGFYWAOZKKC-UHFFFAOYSA-N -1 0 460.933 4.951 50 0 JJAARM C[C@H]1CCCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000006142001 524105765 /nfs/dbraw/zinc/10/57/65/524105765.db2.gz OMTXTIUCGJUGRH-ZDUSSCGKSA-N -1 0 451.379 4.974 50 0 JJAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc3c(cc2Sc2ccc(F)cc2)n(C)c(=O)n3C)c1 ZINC000045941203 524195523 /nfs/dbraw/zinc/19/55/23/524195523.db2.gz RIPDXEWZLBZKJR-UHFFFAOYSA-N -1 0 471.579 4.585 50 0 JJAARM Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCN(c4ccc(F)cc4)CC3)c(C(=O)[O-])c2)cc1C ZINC000033253061 524323569 /nfs/dbraw/zinc/32/35/69/524323569.db2.gz YHALZOIWFNVJSZ-UHFFFAOYSA-N -1 0 497.592 4.577 50 0 JJAARM COc1ccccc1N1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)[O-])CC1 ZINC000033078531 524563850 /nfs/dbraw/zinc/56/38/50/524563850.db2.gz XZWQVAIYXZJKDK-UHFFFAOYSA-N -1 0 465.937 4.626 50 0 JJAARM Cc1cccc(NC(=O)CSc2nnc(-c3cc(C)ccc3NC(=O)c3ccccc3)c(=O)[n-]2)c1 ZINC000021882764 524605399 /nfs/dbraw/zinc/60/53/99/524605399.db2.gz UILYDXXRRKGBDG-UHFFFAOYSA-N -1 0 485.569 4.844 50 0 JJAARM COc1ccc(NC(=O)c2c(F)cccc2F)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000005941260 524623036 /nfs/dbraw/zinc/62/30/36/524623036.db2.gz QBEHLLIFOGTJQD-UHFFFAOYSA-N -1 0 497.317 4.789 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccc3nc(C)c(C)nc3c2)ccc1C ZINC000022695082 524641042 /nfs/dbraw/zinc/64/10/42/524641042.db2.gz AXNSPZQTBKYBCJ-UHFFFAOYSA-N -1 0 476.558 4.617 50 0 JJAARM COc1ccc(OC)c([N-]S(=O)(=O)c2c3oc(C(=O)N4CCCCC4)c(C)c3cc(C)c2C)c1 ZINC000065010640 524869368 /nfs/dbraw/zinc/86/93/68/524869368.db2.gz BQBGLOBBHKQHEO-UHFFFAOYSA-N -1 0 486.590 4.802 50 0 JJAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(-c3nc(-c4ccc(F)cc4)no3)sc2C)c1 ZINC000046141387 524870406 /nfs/dbraw/zinc/87/04/06/524870406.db2.gz BEKMLVCEZMTEJK-UHFFFAOYSA-N -1 0 475.523 4.731 50 0 JJAARM C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1ccc(Br)cc1 ZINC000012508034 525217555 /nfs/dbraw/zinc/21/75/55/525217555.db2.gz MTBPYUBLKUCWPG-ZDUSSCGKSA-N -1 0 465.394 4.802 50 0 JJAARM COc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000035479417 525391839 /nfs/dbraw/zinc/39/18/39/525391839.db2.gz FNXPBAQJNSJMPD-FQEVSTJZSA-N -1 0 455.919 4.680 50 0 JJAARM Cc1ccc(S(=O)(=O)c2[n-]c(-c3ccccc3)nc2SCC(=O)N2CCCC[C@H]2C)cc1 ZINC000012252578 525633114 /nfs/dbraw/zinc/63/31/14/525633114.db2.gz DYIXFRFANYOSNF-GOSISDBHSA-N -1 0 469.632 4.711 50 0 JJAARM COc1ccc2nc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(F)c(F)c3)sc2c1 ZINC000006146442 525675231 /nfs/dbraw/zinc/67/52/31/525675231.db2.gz DUTLMQBIXDNXGV-UHFFFAOYSA-N -1 0 475.498 4.636 50 0 JJAARM Cc1ccnc(O[C@@H](C(=O)[O-])[C@](OCc2ccccc2)(c2ccccc2)c2ccc(F)cc2)n1 ZINC000009299695 525705432 /nfs/dbraw/zinc/70/54/32/525705432.db2.gz LUSJITYJAUIVPI-IGKIAQTJSA-N -1 0 458.489 4.917 50 0 JJAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)c2oc1C(=O)N1CCCCCC1 ZINC000065010992 525942998 /nfs/dbraw/zinc/94/29/98/525942998.db2.gz HJPHJFSNDUDZKC-UHFFFAOYSA-N -1 0 498.601 4.946 50 0 JJAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3C)c2oc1C(=O)N1CCOCC1 ZINC000065010804 525944682 /nfs/dbraw/zinc/94/46/82/525944682.db2.gz ZTMNNHIMZNKUGJ-UHFFFAOYSA-N -1 0 476.982 4.593 50 0 JJAARM O=C(NCCNc1cccc2ccccc21)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000006147277 526339872 /nfs/dbraw/zinc/33/98/72/526339872.db2.gz ZORZAMDUNJFKLY-UHFFFAOYSA-N -1 0 481.524 4.761 50 0 JJAARM O=C([O-])c1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1CCN(c2ccccc2F)CC1 ZINC000033078657 526351254 /nfs/dbraw/zinc/35/12/54/526351254.db2.gz SRAAPYVYIIBGER-UHFFFAOYSA-N -1 0 453.901 4.756 50 0 JJAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3SC[C@H]3CCCO3)cc2)c1C ZINC000024757485 526640557 /nfs/dbraw/zinc/64/05/57/526640557.db2.gz DECHJRRBHSYSJJ-GOSISDBHSA-N -1 0 487.603 4.616 50 0 JJAARM O=C1N[C@H](c2ccc(-c3cccc(Cl)c3)o2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000016734218 526838443 /nfs/dbraw/zinc/83/84/43/526838443.db2.gz DYFOYFYHPYACAC-MDZRGWNJSA-N -1 0 470.856 4.765 50 0 JJAARM O=C1N[C@H](c2ccc(-c3cccc(Cl)c3)o2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000016734220 526838472 /nfs/dbraw/zinc/83/84/72/526838472.db2.gz DYFOYFYHPYACAC-GPMSIDNRSA-N -1 0 470.856 4.765 50 0 JJAARM Cc1sc(-c2nc(-c3cccc(F)c3)no2)cc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000046141487 526864412 /nfs/dbraw/zinc/86/44/12/526864412.db2.gz OOFHEHIACYLDQN-UHFFFAOYSA-N -1 0 450.904 4.762 50 0 JJAARM Cc1nc2cccnc2n1C1CCN(c2ccc(NC(=O)c3ccccc3F)cc2C(=O)[O-])CC1 ZINC000035451202 527181711 /nfs/dbraw/zinc/18/17/11/527181711.db2.gz QYPDAXRVMDMHGX-UHFFFAOYSA-N -1 0 473.508 4.671 50 0 JJAARM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1c(Cl)cccc1Cl ZINC000016097073 527254162 /nfs/dbraw/zinc/25/41/62/527254162.db2.gz GUDNETKRVPCLBD-UHFFFAOYSA-N -1 0 457.360 4.595 50 0 JJAARM Nc1c2cc3c(nc2sc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)CCCCC3 ZINC000006238724 527437900 /nfs/dbraw/zinc/43/79/00/527437900.db2.gz UYHUUNKZUPGNKP-UHFFFAOYSA-N -1 0 499.643 4.657 50 0 JJAARM Cc1nn(C)c(C)c1CCCN(C)c1ccc(NS(=O)(=O)c2cc(C)c(C)cc2C)cc1C(=O)[O-] ZINC000033253699 527620781 /nfs/dbraw/zinc/62/07/81/527620781.db2.gz MPHVZJMTLUWIMU-UHFFFAOYSA-N -1 0 498.649 4.530 50 0 JJAARM O=C(/C=C\c1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000022535991 527655296 /nfs/dbraw/zinc/65/52/96/527655296.db2.gz PBLRNWDQFKUMEU-WAPJZHGLSA-N -1 0 454.360 4.903 50 0 JJAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3Cl)CC2)cc1 ZINC000000627111 553714993 /nfs/dbraw/zinc/71/49/93/553714993.db2.gz GBDWIDIPKDVUDA-OALUTQOASA-N -1 0 474.388 4.926 50 0 JJAARM C[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)s1)c1ccccc1 ZINC000000665408 553741745 /nfs/dbraw/zinc/74/17/45/553741745.db2.gz OBQQMBYXDFBFGB-ZDUSSCGKSA-N -1 0 465.394 4.802 50 0 JJAARM CN(Cc1ccccc1)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000000691995 553759131 /nfs/dbraw/zinc/75/91/31/553759131.db2.gz ISUYAIPUMKIHJN-UHFFFAOYSA-N -1 0 485.414 4.615 50 0 JJAARM CCc1c(C)sc([N-]C(NC(=O)c2ccco2)(C(F)(F)F)C(F)(F)F)c1C(=O)OC ZINC000000721293 553772828 /nfs/dbraw/zinc/77/28/28/553772828.db2.gz DCEOCQXIXZDLEN-UHFFFAOYSA-N -1 0 458.380 4.661 50 0 JJAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1cccc(Br)c1 ZINC000000845521 553796197 /nfs/dbraw/zinc/79/61/97/553796197.db2.gz OOOURKXCCYCGFP-KRWDZBQOSA-N -1 0 480.156 4.754 50 0 JJAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12 ZINC000000849915 553798035 /nfs/dbraw/zinc/79/80/35/553798035.db2.gz JWCBVHPTSKUOQO-CCQQUTMYSA-N -1 0 464.304 4.629 50 0 JJAARM C[C@H]1CCCN(C(=S)SCC(=O)c2cc(Br)cc(Br)c2[O-])C1 ZINC000000896361 553832562 /nfs/dbraw/zinc/83/25/62/553832562.db2.gz WVXUIXINYPYVRB-VIFPVBQESA-N -1 0 467.248 4.850 50 0 JJAARM CCc1c([O-])nc(SCC(=O)Nc2ccc(Cl)cc2Cl)n(-c2ccccc2)c1=O ZINC000000979616 553890452 /nfs/dbraw/zinc/89/04/52/553890452.db2.gz YZKUSNYVOPVYKW-UHFFFAOYSA-N -1 0 450.347 4.538 50 0 JJAARM CCCN(CCC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000000986420 553893401 /nfs/dbraw/zinc/89/34/01/553893401.db2.gz FGVNWTMMQIUWCD-UHFFFAOYSA-N -1 0 465.424 4.605 50 0 JJAARM COc1cc(S(=O)(=O)[N-]c2cccc(-c3cn4cccc(C)c4n3)c2)c(OC)cc1Cl ZINC000001429988 553970530 /nfs/dbraw/zinc/97/05/30/553970530.db2.gz PMFULOVTAIYJLE-UHFFFAOYSA-N -1 0 457.939 4.781 50 0 JJAARM CCOC(=O)[C@@]([N-]c1ccc(F)cc1F)(NC(=O)c1ccc(Cl)cc1Cl)C(F)(F)F ZINC000002050616 554010821 /nfs/dbraw/zinc/01/08/21/554010821.db2.gz SPSKWGGNDXFMAJ-QGZVFWFLSA-N -1 0 471.209 4.935 50 0 JJAARM Cc1c2oc3c(c2cc2c(C)c(CCC(=O)NCC4CCC(C(=O)[O-])CC4)c(=O)oc12)CCCC3 ZINC000002097930 554041132 /nfs/dbraw/zinc/04/11/32/554041132.db2.gz UJDIPMBAYFZDCZ-UHFFFAOYSA-N -1 0 479.573 4.975 50 0 biogenic JJAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])occ3-c1ccccc1 ZINC000002098056 554041379 /nfs/dbraw/zinc/04/13/79/554041379.db2.gz NFSKLRPVOPSCRF-DEOSSOPVSA-N -1 0 481.504 4.869 50 0 biogenic JJAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N[C@H](C(=O)[O-])c1ccccc1)oc1c3CCCC1 ZINC000002108292 554048258 /nfs/dbraw/zinc/04/82/58/554048258.db2.gz MUGVDPXLCJOYSZ-VWLOTQADSA-N -1 0 459.498 4.601 50 0 biogenic JJAARM CSCC[C@H](NC(=O)Cc1c(C)c2cc3c(oc(C)c3-c3ccccc3)c(C)c2oc1=O)C(=O)[O-] ZINC000002119708 554055126 /nfs/dbraw/zinc/05/51/26/554055126.db2.gz JUYWZKJTQZTNOT-NRFANRHFSA-N -1 0 493.581 4.996 50 0 biogenic JJAARM CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(F)cc1)C(=O)[O-] ZINC000002120258 554055399 /nfs/dbraw/zinc/05/53/99/554055399.db2.gz PJAHVPLUEXIBIZ-OZAJXLCCSA-N -1 0 465.477 4.812 50 0 biogenic JJAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])oc1c3CCCC1 ZINC000002153223 554071034 /nfs/dbraw/zinc/07/10/34/554071034.db2.gz BNLGKJPQLHWXNB-QHCPKHFHSA-N -1 0 498.535 4.562 50 0 biogenic JJAARM Cc1oc2cc3oc(=O)c(CC(=O)N4CCC(C(=O)[O-])(c5ccccc5)CC4)c(C)c3cc2c1C ZINC000002153829 554071502 /nfs/dbraw/zinc/07/15/02/554071502.db2.gz IFDBAUCHEXPLJM-UHFFFAOYSA-N -1 0 473.525 4.652 50 0 biogenic JJAARM CCCC[C@@H](NC(=O)[C@H](C)Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C)C(=O)[O-] ZINC000002154380 554071702 /nfs/dbraw/zinc/07/17/02/554071702.db2.gz RMLGZHNAIPHNKF-PGRDOPGGSA-N -1 0 465.546 4.528 50 0 biogenic JJAARM Cc1coc2cc3oc(=O)c(CCC(=O)N[C@H](Cc4ccc(Cl)cc4)C(=O)[O-])c(C)c3cc12 ZINC000002157018 554072818 /nfs/dbraw/zinc/07/28/18/554072818.db2.gz SVZCNTJZQJIFGL-HXUWFJFHSA-N -1 0 467.905 4.554 50 0 biogenic JJAARM COc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000002168294 554076114 /nfs/dbraw/zinc/07/61/14/554076114.db2.gz DTYDFOTZMMCTNQ-PXNMLYILSA-N -1 0 468.314 4.702 50 0 JJAARM COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1Cl ZINC000002207080 554093127 /nfs/dbraw/zinc/09/31/27/554093127.db2.gz YFENRBFHFIRRQJ-UHFFFAOYSA-N -1 0 458.902 4.975 50 0 JJAARM COC(=O)c1c(C)c(C)sc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000002328273 554150068 /nfs/dbraw/zinc/15/00/68/554150068.db2.gz YZHUZCDFHIWZNP-UHFFFAOYSA-N -1 0 482.587 4.948 50 0 JJAARM COc1ccc(CCNc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000002418117 554196520 /nfs/dbraw/zinc/19/65/20/554196520.db2.gz SBEOGRNHTYSASG-UHFFFAOYSA-N -1 0 468.966 4.747 50 0 JJAARM COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1OC ZINC000002449006 554216108 /nfs/dbraw/zinc/21/61/08/554216108.db2.gz HHXAHGDAYONWOL-UHFFFAOYSA-N -1 0 464.547 4.808 50 0 JJAARM O=C([O-])[C@H](Cc1cncn1COCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002555088 554235958 /nfs/dbraw/zinc/23/59/58/554235958.db2.gz CJBFCDKGOPEUOF-MHZLTWQESA-N -1 0 497.551 4.592 50 0 JJAARM O=C(NCc1ccco1)c1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000002629269 554251785 /nfs/dbraw/zinc/25/17/85/554251785.db2.gz MQLMHVIFAUXWOZ-UHFFFAOYSA-N -1 0 458.845 4.683 50 0 JJAARM CC(=O)[N-]S(=O)(=O)c1ccc(NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc1 ZINC000002773314 554338213 /nfs/dbraw/zinc/33/82/13/554338213.db2.gz JGMPZMZWTCRPCH-UHFFFAOYSA-N -1 0 480.652 4.682 50 0 JJAARM Cc1nn(Cc2cccc(C(F)(F)F)c2)c(C)c1[N-]S(=O)(=O)c1c(C)nn(C(F)F)c1C ZINC000002804290 554355102 /nfs/dbraw/zinc/35/51/02/554355102.db2.gz CVVKWMYCFQTXHM-UHFFFAOYSA-N -1 0 477.459 4.576 50 0 JJAARM Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000002804721 554355553 /nfs/dbraw/zinc/35/55/53/554355553.db2.gz XUUFWLQNQQBDQP-UHFFFAOYSA-N -1 0 478.796 4.966 50 0 JJAARM Cc1nn(C)cc1-c1cc(-c2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)no1 ZINC000002809194 554359368 /nfs/dbraw/zinc/35/93/68/554359368.db2.gz WVDYNUYICPWEES-UHFFFAOYSA-N -1 0 470.921 4.683 50 0 JJAARM O=S(=O)([N-]c1ncccn1)c1ccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000002855030 554382583 /nfs/dbraw/zinc/38/25/83/554382583.db2.gz GVROIMRLBJYEFQ-UHFFFAOYSA-N -1 0 477.571 4.879 50 0 JJAARM COc1ccc(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc1 ZINC000002884901 554405765 /nfs/dbraw/zinc/40/57/65/554405765.db2.gz RQMWUMFCTCFESP-UHFFFAOYSA-N -1 0 472.994 4.739 50 0 JJAARM Cc1ccc(CNC(=O)CCCCCn2c(=O)c3cc(Br)ccc3[n-]c2=S)cc1 ZINC000002973896 554414778 /nfs/dbraw/zinc/41/47/78/554414778.db2.gz AXPOTBOWPSZLPJ-UHFFFAOYSA-N -1 0 474.424 4.633 50 0 JJAARM CCCCCNC(=O)c1ccc(Cn2c(=O)c3cc(OCC)c(OCC)cc3[n-]c2=S)cc1 ZINC000003010217 554423101 /nfs/dbraw/zinc/42/31/01/554423101.db2.gz SUUNPHWAZSJNIB-UHFFFAOYSA-N -1 0 469.607 4.825 50 0 JJAARM CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000004544478 554478455 /nfs/dbraw/zinc/47/84/55/554478455.db2.gz UMRUUWFGLGNQLI-JOCHJYFZSA-N -1 0 468.550 4.673 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(SCc3cn4c(n3)nc(C)cc4C)nc2c1 ZINC000006134202 554505935 /nfs/dbraw/zinc/50/59/35/554505935.db2.gz RBILYAXFROYGND-UHFFFAOYSA-N -1 0 495.586 4.589 50 0 JJAARM Cc1ccc(NC(=S)Nc2cccnc2)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000006144400 554510352 /nfs/dbraw/zinc/51/03/52/554510352.db2.gz VUCVLDUXFMUWLM-UHFFFAOYSA-N -1 0 477.409 4.762 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(=S)n(CN3C[C@H](C)C[C@H](C)C3)c2c1 ZINC000006182291 554516018 /nfs/dbraw/zinc/51/60/18/554516018.db2.gz CKGBVGARWOIDGL-IYBDPMFKSA-N -1 0 461.609 4.709 50 0 JJAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCN(c3ccccc3F)CC2)c1C ZINC000006183010 554516338 /nfs/dbraw/zinc/51/63/38/554516338.db2.gz REKRTLXORFQLBW-UHFFFAOYSA-N -1 0 495.620 4.823 50 0 JJAARM O=C([O-])c1ccc(-c2ccc(/C=C3/NC(=O)N(Cc4ccc(Br)cc4)C3=O)o2)cc1 ZINC000006975286 554563098 /nfs/dbraw/zinc/56/30/98/554563098.db2.gz APKIRSLVYJMMHZ-WOJGMQOQSA-N -1 0 467.275 4.500 50 0 JJAARM O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2cc(Br)ccc2OCc2ccccn2)[NH2+]1 ZINC000008740406 554642576 /nfs/dbraw/zinc/64/25/76/554642576.db2.gz CGBMNTFDANGFBQ-REWPJTCUSA-N -1 0 478.346 4.593 50 0 biogenic JJAARM COc1ccccc1CNC(=O)Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000008746755 554650021 /nfs/dbraw/zinc/65/00/21/554650021.db2.gz RADUDRMEFXTZMR-UHFFFAOYSA-N -1 0 479.385 4.662 50 0 JJAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)s1 ZINC000008768245 554668874 /nfs/dbraw/zinc/66/88/74/554668874.db2.gz VJJVMXOSSCHUAR-UHFFFAOYSA-N -1 0 471.486 4.564 50 0 JJAARM Cc1cc2oc(=O)c(CC(=O)N3CCC(C(=O)[O-])CC3)c(C)c2c2occ(-c3ccccc3)c21 ZINC000008877509 554772929 /nfs/dbraw/zinc/77/29/29/554772929.db2.gz RSQDQUPCADFJNV-UHFFFAOYSA-N -1 0 459.498 4.689 50 0 biogenic JJAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(C4CC4)nc4ccccc43)cc2)nc(C)n1 ZINC000008898035 554788434 /nfs/dbraw/zinc/78/84/34/554788434.db2.gz XPQIGHCRLXWRJK-UHFFFAOYSA-N -1 0 473.558 4.572 50 0 JJAARM CCN1c2ccccc2Oc2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3OC)cc2C1=O ZINC000008961134 554837782 /nfs/dbraw/zinc/83/77/82/554837782.db2.gz CDABNBFQERYWBA-UHFFFAOYSA-N -1 0 452.532 4.885 50 0 JJAARM CCOc1ccc2nc([N-]C(NC(=O)c3cccnc3)(C(F)(F)F)C(F)(F)F)sc2c1 ZINC000008997076 554858579 /nfs/dbraw/zinc/85/85/79/554858579.db2.gz MPHQHQBHNQGHIK-UHFFFAOYSA-N -1 0 464.391 4.753 50 0 JJAARM Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCCCO4)c2)c2ccccc2n1 ZINC000009126189 554919527 /nfs/dbraw/zinc/91/95/27/554919527.db2.gz PUGSYVNPTNCGCA-UHFFFAOYSA-N -1 0 489.553 4.758 50 0 JJAARM O=C([O-])CCc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000009126910 554921461 /nfs/dbraw/zinc/92/14/61/554921461.db2.gz PBFIIUXJCNLCPI-UHFFFAOYSA-N -1 0 492.475 4.776 50 0 JJAARM Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3ccco3)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000009128754 554925902 /nfs/dbraw/zinc/92/59/02/554925902.db2.gz YDSFNRQHSPYZMW-QHCPKHFHSA-N -1 0 468.513 4.983 50 0 JJAARM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CCC(C)C)c1 ZINC000009169610 554953057 /nfs/dbraw/zinc/95/30/57/554953057.db2.gz QWRYNEZDKMWGPU-UHFFFAOYSA-N -1 0 474.623 4.856 50 0 JJAARM O=C([O-])c1ccccc1[C@@H]1[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2ON1c1ccccc1 ZINC000009210293 554979794 /nfs/dbraw/zinc/97/97/94/554979794.db2.gz CYGRNZCJXKWIRB-UBFVSLLYSA-N -1 0 464.477 4.589 50 0 JJAARM O=c1c2cccc3cccc(c23)c1=N[N-]c1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000009310400 555086003 /nfs/dbraw/zinc/08/60/03/555086003.db2.gz ULAUMHDQXWNRTA-SNCSUOKWSA-N -1 0 457.497 4.829 50 0 JJAARM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1)NCCc1c[nH]c2ccccc12 ZINC000009337273 555104924 /nfs/dbraw/zinc/10/49/24/555104924.db2.gz ZDCCRCLJFMAOPR-UHFFFAOYSA-N -1 0 485.968 4.663 50 0 JJAARM Cc1nc(COc2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cs1 ZINC000009367448 555129692 /nfs/dbraw/zinc/12/96/92/555129692.db2.gz XJTFKEGWMMTSOA-UHFFFAOYSA-N -1 0 486.600 4.540 50 0 JJAARM O=C(NCc1n[n-]c(=S)n1-c1ccc(Br)cc1)c1cc(Cl)ccc1Cl ZINC000009369263 555132828 /nfs/dbraw/zinc/13/28/28/555132828.db2.gz MCSKWQCBZKESKF-UHFFFAOYSA-N -1 0 458.168 4.929 50 0 JJAARM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)N[C@H](C)c2cccs2)c(C)c1 ZINC000009378534 555139959 /nfs/dbraw/zinc/13/99/59/555139959.db2.gz FYQWNKJTGOXZJB-GOSISDBHSA-N -1 0 486.615 4.508 50 0 JJAARM COc1ccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000009378623 555140221 /nfs/dbraw/zinc/14/02/21/555140221.db2.gz MBTPKLMVZOMVFF-UHFFFAOYSA-N -1 0 467.522 4.986 50 0 JJAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3coc4ccc(C(C)C)cc34)cc2)n1 ZINC000009409305 555173873 /nfs/dbraw/zinc/17/38/73/555173873.db2.gz AEILGMNIACDUQO-UHFFFAOYSA-N -1 0 464.547 4.637 50 0 JJAARM CCOC(=O)c1cccc(NC(=O)c2ccc3nc([N-]S(=O)(=O)c4ccccc4)sc3c2)c1 ZINC000009421832 555187729 /nfs/dbraw/zinc/18/77/29/555187729.db2.gz NDGVNBLIOOBUCK-UHFFFAOYSA-N -1 0 481.555 4.526 50 0 JJAARM COc1ccc(C(=O)N2CCC[C@@H]2c2cccs2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000009467652 555245256 /nfs/dbraw/zinc/24/52/56/555245256.db2.gz IRFUDPZEVFRARW-LJQANCHMSA-N -1 0 456.589 4.843 50 0 JJAARM 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50 0 JJAARM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)c2ccccc2)c1 ZINC000022666437 555942272 /nfs/dbraw/zinc/94/22/72/555942272.db2.gz KCCTZWLHQYZWIN-UHFFFAOYSA-N -1 0 450.560 4.651 50 0 JJAARM CC(C)(C)OC(=O)N[C@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000015721349 555955546 /nfs/dbraw/zinc/95/55/46/555955546.db2.gz JYEVQYFWINBXJU-JOCHJYFZSA-N -1 0 468.550 4.673 50 0 JJAARM CCc1nc2sc([C@@H](c3ccccc3Cl)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000022854693 555961190 /nfs/dbraw/zinc/96/11/90/555961190.db2.gz HECRRTYIHTZJCW-OAQYLSRUSA-N -1 0 468.026 4.619 50 0 JJAARM Cc1nc2sc([C@H](c3ccco3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c([O-])n2n1 ZINC000022875231 555963126 /nfs/dbraw/zinc/96/31/26/555963126.db2.gz MOMUBXZLXXYZRJ-DEOSSOPVSA-N -1 0 485.613 4.894 50 0 JJAARM COc1cc(/C=C/C(=O)[O-])cc(Br)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000012394608 555975450 /nfs/dbraw/zinc/97/54/50/555975450.db2.gz NHQBHNYQYDQBMA-AATRIKPKSA-N -1 0 474.229 4.592 50 0 JJAARM Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2C(F)(F)F)ccc1Br ZINC000012541819 556016458 /nfs/dbraw/zinc/01/64/58/556016458.db2.gz CIXLFMWAHWGMBL-UHFFFAOYSA-N -1 0 477.302 4.926 50 0 JJAARM Cc1nc2sc([C@@H](c3cccc(F)c3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000023157417 556025786 /nfs/dbraw/zinc/02/57/86/556025786.db2.gz WBASHAWUKBMZES-LJQANCHMSA-N -1 0 457.962 4.509 50 0 JJAARM CCOc1ccccc1C(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000015862102 556035206 /nfs/dbraw/zinc/03/52/06/556035206.db2.gz PXJOFPCXUUWAJD-UHFFFAOYSA-N -1 0 453.545 4.748 50 0 JJAARM COc1ccccc1/C=C/C(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000012564201 556059791 /nfs/dbraw/zinc/05/97/91/556059791.db2.gz AGWJEODUGBPCSU-SDNWHVSQSA-N -1 0 472.950 4.810 50 0 JJAARM Cc1nc(SC(F)F)[n-]c(=O)c1CCC(=O)Nc1ccc(SCc2cccnc2)cc1 ZINC000012564828 556061475 /nfs/dbraw/zinc/06/14/75/556061475.db2.gz XGYGEHRFRGPDCY-UHFFFAOYSA-N -1 0 462.547 4.652 50 0 JJAARM COc1ccc(NC(=O)COc2cc(C)ccc2Cl)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000015900904 556062356 /nfs/dbraw/zinc/06/23/56/556062356.db2.gz GGPKUEKOVATTMS-UHFFFAOYSA-N -1 0 478.929 4.614 50 0 JJAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1cccc(O)c1)c1ccccc1C(F)(F)F ZINC000015911173 556065179 /nfs/dbraw/zinc/06/51/79/556065179.db2.gz VEIJPTLVYAZIRE-UHFFFAOYSA-N -1 0 460.437 4.899 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(SCCOc3ccccc3)nc2c1 ZINC000012578715 556077688 /nfs/dbraw/zinc/07/76/88/556077688.db2.gz IWNWGIHMHUSEJN-UHFFFAOYSA-N -1 0 456.545 4.808 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)CCOc2cc(C)ccc2C)ccc1C ZINC000016035499 556118876 /nfs/dbraw/zinc/11/88/76/556118876.db2.gz AUKMPZGWAWVNLZ-UHFFFAOYSA-N -1 0 468.575 4.829 50 0 JJAARM CC(C)=CCN1C(=O)NC(=Cc2c(Cc3ccccc3C)[n-]n(-c3ccccc3C)c2=O)C1=O ZINC000016534119 556142429 /nfs/dbraw/zinc/14/24/29/556142429.db2.gz WXSLVBGHHBIBFA-KQWNVCNZSA-N -1 0 456.546 4.644 50 0 JJAARM O=C1NC(=Cc2c(=O)n(-c3ccccc3)[n-]c2Cc2cccs2)C(=O)N1Cc1c(F)cccc1F ZINC000016534152 556142666 /nfs/dbraw/zinc/14/26/66/556142666.db2.gz GHKKLTBTFYYRPP-XKZIYDEJSA-N -1 0 492.507 4.601 50 0 JJAARM CCOc1cc2c(cc1CNC(=O)CCCCCn1c(=O)c3ccccc3[n-]c1=S)O[C@@H](C)C2 ZINC000024646687 556143606 /nfs/dbraw/zinc/14/36/06/556143606.db2.gz JZRJGMDTSQVESC-KRWDZBQOSA-N -1 0 481.618 4.658 50 0 JJAARM CC(=O)Nc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000016944286 556182342 /nfs/dbraw/zinc/18/23/42/556182342.db2.gz GGDRMKGZRIVKSM-UHFFFAOYSA-N -1 0 467.938 4.786 50 0 JJAARM COc1ccc(CCNc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000016956617 556187294 /nfs/dbraw/zinc/18/72/94/556187294.db2.gz CFXQTJMNKFZQKM-UHFFFAOYSA-N -1 0 462.575 4.711 50 0 JJAARM CC(=O)Nc1ccc(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)cc1 ZINC000012997788 556190318 /nfs/dbraw/zinc/19/03/18/556190318.db2.gz JGZWRBYSVWLIEE-UHFFFAOYSA-N -1 0 492.384 4.934 50 0 JJAARM COc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000025435432 556215254 /nfs/dbraw/zinc/21/52/54/556215254.db2.gz ROMABVUXOGCILI-UHFFFAOYSA-N -1 0 468.428 4.906 50 0 JJAARM CC(C)(C)OC(=O)N[C@@H](COP(=O)(OCc1ccccc1)OCc1ccccc1)C(=O)[O-] ZINC000025761756 556232488 /nfs/dbraw/zinc/23/24/88/556232488.db2.gz KZUUIAQQHXTYFI-IBGZPJMESA-N -1 0 465.439 4.523 50 0 JJAARM COc1cccc(C(c2c(C)[n-]n(-c3ccccc3)c2=O)c2c(C)[n-]n(-c3ccccc3)c2=O)c1OC ZINC000017186280 556235483 /nfs/dbraw/zinc/23/54/83/556235483.db2.gz HWCFNAAYDFUGQA-IQCGEYIDSA-N -1 0 496.567 4.865 50 0 JJAARM COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)c(C)c2)c(OC)c1 ZINC000017206111 556240703 /nfs/dbraw/zinc/24/07/03/556240703.db2.gz AJGJXHVDWGKUGL-UHFFFAOYSA-N -1 0 464.547 4.808 50 0 JJAARM CCOc1ccc(OCC)c(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(N4CCCC4)n3)cc2)c1 ZINC000017307264 556255045 /nfs/dbraw/zinc/25/50/45/556255045.db2.gz VNMBDEKDORLVHD-UHFFFAOYSA-N -1 0 497.621 4.727 50 0 JJAARM COc1cc2c(cc1NC(=O)CSc1nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]1)oc1ccccc12 ZINC000013068392 556264713 /nfs/dbraw/zinc/26/47/13/556264713.db2.gz MEOCYSRYXIKTHJ-UHFFFAOYSA-N -1 0 495.538 4.630 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@H]2c2cccs2)c1 ZINC000013073476 556273100 /nfs/dbraw/zinc/27/31/00/556273100.db2.gz CWTFAPLHWITDPB-FQEVSTJZSA-N -1 0 456.589 4.843 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@@H]2c2cccs2)c1 ZINC000013073474 556273239 /nfs/dbraw/zinc/27/32/39/556273239.db2.gz CWTFAPLHWITDPB-HXUWFJFHSA-N -1 0 456.589 4.843 50 0 JJAARM CCN(CC)C(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1Cl ZINC000027397336 556278116 /nfs/dbraw/zinc/27/81/16/556278116.db2.gz YRZRSIOOXNGUGL-UHFFFAOYSA-N -1 0 492.022 4.937 50 0 JJAARM O=C([O-])c1cc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)ccc1N1CCCCC1 ZINC000018054857 556280558 /nfs/dbraw/zinc/28/05/58/556280558.db2.gz FJTHBENQDDYUPG-LEABRGHYSA-N -1 0 478.548 4.772 50 0 JJAARM CCCN(CCC)C(=O)CSc1nc2c(sc(=S)n2-c2ccc(OCC)cc2)c(=O)[n-]1 ZINC000018057301 556281079 /nfs/dbraw/zinc/28/10/79/556281079.db2.gz GJMYBHQSALMHCT-UHFFFAOYSA-N -1 0 478.665 4.644 50 0 JJAARM CCOc1ccc(-c2cc(C(=O)[N-]c3nnc(SCC(=O)c4ccccc4)s3)no2)cc1 ZINC000027580016 556299883 /nfs/dbraw/zinc/29/98/83/556299883.db2.gz KTWQDTPZSAILHM-UHFFFAOYSA-N -1 0 466.544 4.819 50 0 JJAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccc(Cl)cc32)cc1 ZINC000018196171 556303179 /nfs/dbraw/zinc/30/31/79/556303179.db2.gz JPGIXKGCTXUGOD-UHFFFAOYSA-N -1 0 479.945 4.632 50 0 JJAARM Cn1c2cc([N-]S(=O)(=O)c3cccc(Cl)c3)c(SC3CCCCC3)cc2n(C)c1=O ZINC000028049226 556314302 /nfs/dbraw/zinc/31/43/02/556314302.db2.gz OWCPFOZTFONAEJ-UHFFFAOYSA-N -1 0 466.028 4.756 50 0 JJAARM NC(=O)c1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)ccc1Cl ZINC000029339107 556350632 /nfs/dbraw/zinc/35/06/32/556350632.db2.gz LMYUUHJNBWZBCB-UHFFFAOYSA-N -1 0 498.775 4.799 50 0 JJAARM O=C([O-])c1ccccc1NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000019808998 556380246 /nfs/dbraw/zinc/38/02/46/556380246.db2.gz LLQLPKCFMACUPP-UHFFFAOYSA-N -1 0 479.341 4.526 50 0 JJAARM O=C([O-])[C@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)N1CCN(Cc2cccs2)CC1 ZINC000032101101 556416773 /nfs/dbraw/zinc/41/67/73/556416773.db2.gz VXQSREYWOPECFX-VWLOTQADSA-N -1 0 461.587 4.752 50 0 JJAARM CN(Cc1c(F)cccc1Cl)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000032194829 556433343 /nfs/dbraw/zinc/43/33/43/556433343.db2.gz IXEMQZHKDZGULV-UHFFFAOYSA-N -1 0 450.894 4.691 50 0 JJAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)N2[C@H](C)CCC[C@@H]2C)c1 ZINC000032833552 556506808 /nfs/dbraw/zinc/50/68/08/556506808.db2.gz OIPCMAMNDMIEED-GASCZTMLSA-N -1 0 466.987 4.561 50 0 JJAARM CCc1ccccc1NC(=O)CSc1nc2c(sc(=S)n2-c2cccc(OC)c2)c(=O)[n-]1 ZINC000032948278 556563472 /nfs/dbraw/zinc/56/34/72/556563472.db2.gz UYOIXSZTGMPXTI-UHFFFAOYSA-N -1 0 484.628 4.807 50 0 JJAARM CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1cc(OC)ccc1OC ZINC000008605385 562946696 /nfs/dbraw/zinc/94/66/96/562946696.db2.gz SQDHEUCRJQNXLJ-UHFFFAOYSA-N -1 0 461.561 4.718 50 0 JJAARM Cc1oc2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2c1C(=O)OCc1ccccc1 ZINC000008439332 569589832 /nfs/dbraw/zinc/58/98/32/569589832.db2.gz XAFZNDUQBOEOQP-UHFFFAOYSA-N -1 0 465.483 4.597 50 0 JJAARM O=S(=O)([N-]c1ccc(Cn2cnc(-c3nc(-c4cccc(F)c4)no3)c2)cc1)c1ccccc1F ZINC000032974789 569605916 /nfs/dbraw/zinc/60/59/16/569605916.db2.gz PKGVBFMAPZGGEY-UHFFFAOYSA-N -1 0 493.495 4.727 50 0 JJAARM Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCN(c4ccccc4F)CC3)cc2C(=O)[O-])cc1C ZINC000033007065 569615208 /nfs/dbraw/zinc/61/52/08/569615208.db2.gz ZZSSHYPNJPTYPS-UHFFFAOYSA-N -1 0 497.592 4.577 50 0 JJAARM Cc1cccc(OCC(=O)Nc2ccc3nc(N4CCN(c5ccccc5)CC4)cc(C(=O)[O-])c3c2)c1 ZINC000033010431 569616823 /nfs/dbraw/zinc/61/68/23/569616823.db2.gz CTTPIOIDQJNRCL-UHFFFAOYSA-N -1 0 496.567 4.586 50 0 JJAARM CCOc1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(F)cc2)cc1 ZINC000064557792 569618263 /nfs/dbraw/zinc/61/82/63/569618263.db2.gz YKMYFRSQVUDBNL-OAQYLSRUSA-N -1 0 453.491 4.556 50 0 JJAARM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000064557881 569618383 /nfs/dbraw/zinc/61/83/83/569618383.db2.gz SIVMNNVLAFAWPD-OAQYLSRUSA-N -1 0 497.956 4.848 50 0 JJAARM Cc1noc(/C=C/c2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)s2)c1NC(=O)C1CC1 ZINC000033306603 569622519 /nfs/dbraw/zinc/62/25/19/569622519.db2.gz BJNPMMQHACQTED-PKNBQFBNSA-N -1 0 457.577 4.981 50 0 JJAARM Cc1noc(/C=C/c2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)s2)c1NC(=O)C1CC1 ZINC000033306602 569622594 /nfs/dbraw/zinc/62/25/94/569622594.db2.gz XBZJBESAQDEZPW-PKNBQFBNSA-N -1 0 457.577 4.981 50 0 JJAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)[n-]c1=O ZINC000064687487 569623806 /nfs/dbraw/zinc/62/38/06/569623806.db2.gz VWPPSRRHTSTLAX-UHFFFAOYSA-N -1 0 492.388 4.857 50 0 JJAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(S[C@H](C)C(=O)Nc2cccc(Cl)c2)[n-]c1=O ZINC000064774503 569626497 /nfs/dbraw/zinc/62/64/97/569626497.db2.gz KKYZYCHXZIIEOT-CYBMUJFWSA-N -1 0 471.970 4.592 50 0 JJAARM Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccccc2NC(=O)C(C)C)c(=O)[n-]1 ZINC000064774569 569626741 /nfs/dbraw/zinc/62/67/41/569626741.db2.gz CZIYLWPAWAWPFC-UHFFFAOYSA-N -1 0 471.970 4.531 50 0 JJAARM CC(C)C(=O)Nc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2cccc(Cl)c2)[n-]c1=O ZINC000064774601 569626917 /nfs/dbraw/zinc/62/69/17/569626917.db2.gz ATEXCXJSUDGCOV-ZDUSSCGKSA-N -1 0 471.970 4.611 50 0 JJAARM Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3NC(=O)c3ccccc3)c(=O)[n-]2)c(C)c1 ZINC000064774738 569626997 /nfs/dbraw/zinc/62/69/97/569626997.db2.gz OYGFQHOJRDFCRV-UHFFFAOYSA-N -1 0 485.569 4.844 50 0 JJAARM Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2NC(=O)c2ccccc2)c(=O)[n-]1 ZINC000064774727 569627083 /nfs/dbraw/zinc/62/70/83/569627083.db2.gz HGMQXGIZHWIUOD-QGZVFWFLSA-N -1 0 485.569 4.924 50 0 JJAARM COc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)c(OC)c1OC ZINC000064796001 569630164 /nfs/dbraw/zinc/63/01/64/569630164.db2.gz NRUVVHJTEGPNFN-HNNXBMFYSA-N -1 0 453.516 4.922 50 0 JJAARM Cc1cc(C)cc(S(=O)(=O)Nc2cnc(N3CCC(Cc4ccccc4)CC3)c(C(=O)[O-])c2)c1 ZINC000064843217 569637796 /nfs/dbraw/zinc/63/77/96/569637796.db2.gz OQRZSEHOLPFGNJ-UHFFFAOYSA-N -1 0 479.602 4.657 50 0 JJAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(C)c(F)c3)c(C)n2C)sc1C(=O)N1CCCCC1 ZINC000065035996 569652913 /nfs/dbraw/zinc/65/29/13/569652913.db2.gz NSHAYRWXYUHIBQ-UHFFFAOYSA-N -1 0 490.626 4.640 50 0 JJAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2nc(C)c(C(=O)N3CCCC3)s2)cs1 ZINC000065116993 569666825 /nfs/dbraw/zinc/66/68/25/569666825.db2.gz IESMTFSVBLTCLR-UHFFFAOYSA-N -1 0 498.051 4.879 50 0 JJAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)c2)sc1C(=O)N1CCCCC1 ZINC000065117146 569666962 /nfs/dbraw/zinc/66/69/62/569666962.db2.gz BKGUJAXVFHSQGN-UHFFFAOYSA-N -1 0 483.587 4.885 50 0 JJAARM Cc1ccc(N2C[C@@H](c3nc(-c4ccc([N-]S(=O)(=O)c5cccs5)cc4)no3)CC2=O)cc1C ZINC000065319132 569673729 /nfs/dbraw/zinc/67/37/29/569673729.db2.gz RWIWWYHURWWVGT-SFHVURJKSA-N -1 0 494.598 4.736 50 0 JJAARM CCC(=O)Nc1ccccc1-c1nnc(S[C@H](CC)C(=O)Nc2cccc(C)c2C)[n-]c1=O ZINC000035377978 569685490 /nfs/dbraw/zinc/68/54/90/569685490.db2.gz HOQRIYIZGOJCQJ-LJQANCHMSA-N -1 0 465.579 4.719 50 0 JJAARM CCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1C(=O)[O-] ZINC000035397229 569687929 /nfs/dbraw/zinc/68/79/29/569687929.db2.gz VWIPHYRVDWBJGZ-UHFFFAOYSA-N -1 0 453.564 4.731 50 0 JJAARM CC(=O)c1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000071328654 569697025 /nfs/dbraw/zinc/69/70/25/569697025.db2.gz JMGLKYPQZRRLFN-OAQYLSRUSA-N -1 0 467.930 4.874 50 0 JJAARM CC(C)(C)OC(=O)NCCC[C@@H](CC(=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000071772056 569697882 /nfs/dbraw/zinc/69/78/82/569697882.db2.gz SETTXXCZEDLMRX-KRWDZBQOSA-N -1 0 468.550 4.673 50 0 JJAARM CC(C)Cn1c(Cc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000072191500 569699861 /nfs/dbraw/zinc/69/98/61/569699861.db2.gz IZNKMOUHNYWSLD-UHFFFAOYSA-N -1 0 458.971 4.607 50 0 JJAARM CCCc1[n-]n(-c2ccccc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000035829434 569712844 /nfs/dbraw/zinc/71/28/44/569712844.db2.gz LNKXEPRTMGZFOK-MOSHPQCFSA-N -1 0 470.451 4.642 50 0 JJAARM CC(C)c1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=C1NC(=O)N(Cc2cccc(F)c2)C1=O ZINC000035829498 569713060 /nfs/dbraw/zinc/71/30/60/569713060.db2.gz FTDQYSUUGBCBCR-ODLFYWEKSA-N -1 0 454.889 4.587 50 0 JJAARM COC(=O)C[C@H](c1ccc(OC)cc1OC)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096113796 569732828 /nfs/dbraw/zinc/73/28/28/569732828.db2.gz ACOZWWFXOHEARO-HXUWFJFHSA-N -1 0 476.481 4.583 50 0 biogenic JJAARM COC(=O)C[C@@H](c1ccc(O)c(Cl)c1)c1c(=O)cc([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096115294 569734265 /nfs/dbraw/zinc/73/42/65/569734265.db2.gz VQKNUIJLKFHAMG-HNNXBMFYSA-N -1 0 466.873 4.925 50 0 biogenic JJAARM COC(=O)C[C@H](c1coc2ccc(C)cc2c1=O)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096115175 569734314 /nfs/dbraw/zinc/73/43/14/569734314.db2.gz YYAQERBHFOKGLQ-LJQANCHMSA-N -1 0 498.487 4.981 50 0 biogenic JJAARM COC(=O)C[C@H](c1coc2ccccc2c1=O)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096116369 569735262 /nfs/dbraw/zinc/73/52/62/569735262.db2.gz NDDLRXGOLQIIJP-LJQANCHMSA-N -1 0 484.460 4.673 50 0 biogenic JJAARM COC(=O)C[C@@H](c1coc2ccccc2c1=O)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096116368 569735320 /nfs/dbraw/zinc/73/53/20/569735320.db2.gz NDDLRXGOLQIIJP-IBGZPJMESA-N -1 0 484.460 4.673 50 0 biogenic JJAARM COC(=O)C[C@H]1c2c(nc3sccn32)Oc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c21 ZINC000096222719 569739697 /nfs/dbraw/zinc/73/96/97/569739697.db2.gz DBTABEQCFLISOR-CYBMUJFWSA-N -1 0 460.467 4.676 50 0 biogenic JJAARM O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCC(Cc3ccccc3)CC2)c2ccc(Br)cc21 ZINC000036357697 569771990 /nfs/dbraw/zinc/77/19/90/569771990.db2.gz HSFWXHAQYCVNPY-HSZRJFAPSA-N -1 0 485.378 4.569 50 0 JJAARM CCOC(=O)[C@H]1CCCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccc(Cl)cc2Cl)C1 ZINC000036370450 569773346 /nfs/dbraw/zinc/77/33/46/569773346.db2.gz FKOFRYWHPAQGLA-YVEFUNNKSA-N -1 0 483.421 4.730 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)/N=c2\sc3cccc(Cl)c3n2C)cc1 ZINC000100878755 569773979 /nfs/dbraw/zinc/77/39/79/569773979.db2.gz BDAYRDVQWIMVJB-GYHWCHFESA-N -1 0 471.991 4.744 50 0 JJAARM O=S(=O)([N-]c1nc2n(n1)[C@@H](c1ccc(F)cc1)CC(c1ccc(Cl)cc1)=N2)c1ccccc1 ZINC000101006090 569778936 /nfs/dbraw/zinc/77/89/36/569778936.db2.gz KMBVVBWICBOMHY-OAQYLSRUSA-N -1 0 481.940 4.927 50 0 JJAARM CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000101156429 569784926 /nfs/dbraw/zinc/78/49/26/569784926.db2.gz ATHOVTVQXVQWNU-NXCFDTQHSA-N -1 0 472.541 4.925 50 0 JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(Cc4ccc(C(=O)N5CCCCCC5)cc4)c3=O)c2c1 ZINC000101497406 569800549 /nfs/dbraw/zinc/80/05/49/569800549.db2.gz YNTGTXLSRRPOJE-UHFFFAOYSA-N -1 0 462.575 4.613 50 0 JJAARM CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1OCC(=O)[O-] ZINC000038203614 569800794 /nfs/dbraw/zinc/80/07/94/569800794.db2.gz MNZXBZJHGXBOQA-LSCVHKIXSA-N -1 0 465.886 4.578 50 0 JJAARM Cc1nc(-n2[n-]c(C)c(Cc3ccc(C)cc3)c2=O)sc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000101505342 569801129 /nfs/dbraw/zinc/80/11/29/569801129.db2.gz MCSIEOKZKPOZBN-UHFFFAOYSA-N -1 0 487.629 4.513 50 0 JJAARM COc1ccc(NC(=O)c2sc(-n3[n-]c(C)c(Cc4ccc(C)cc4)c3=O)nc2C)c(OC)c1 ZINC000101832428 569805638 /nfs/dbraw/zinc/80/56/38/569805638.db2.gz LSAQCRPEDGBMPH-UHFFFAOYSA-N -1 0 478.574 4.820 50 0 JJAARM Cc1nc(-n2[n-]c(C)c(Cc3ccccc3Cl)c2=O)sc1C(=O)NCc1ccccc1 ZINC000101832585 569805671 /nfs/dbraw/zinc/80/56/71/569805671.db2.gz MPLBSDDTRHEWND-UHFFFAOYSA-N -1 0 452.967 4.825 50 0 JJAARM Cc1ccc(C2=Nc3nc([N-]S(=O)(=O)c4ccccc4)nn3[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000101835995 569805940 /nfs/dbraw/zinc/80/59/40/569805940.db2.gz CWTAEKRQHYYERM-HSZRJFAPSA-N -1 0 457.559 4.752 50 0 JJAARM COc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(c3cccc(C)c3)[C@H](C)C2)cc1 ZINC000106408033 569854145 /nfs/dbraw/zinc/85/41/45/569854145.db2.gz FCEQICCFQXPZIW-LJQANCHMSA-N -1 0 459.546 4.669 50 0 JJAARM 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JJAARM COc1ccc([C@H](CC(=O)NCCc2ccc(F)cc2)c2c([O-])c3ccccc3oc2=O)cc1 ZINC000253470936 570099157 /nfs/dbraw/zinc/09/91/57/570099157.db2.gz INCLXTJANGEDRJ-QFIPXVFZSA-N -1 0 461.489 4.527 50 0 JJAARM COc1ccc([C@@H](CC(=O)NCCc2ccc(F)cc2)c2c([O-])c3ccccc3oc2=O)cc1 ZINC000253470934 570099185 /nfs/dbraw/zinc/09/91/85/570099185.db2.gz INCLXTJANGEDRJ-JOCHJYFZSA-N -1 0 461.489 4.527 50 0 JJAARM COc1ccc([C@H](CC(=O)NCCc2c[nH]c3ccccc23)c2c([O-])c3ccccc3oc2=O)cc1 ZINC000253471464 570099401 /nfs/dbraw/zinc/09/94/01/570099401.db2.gz SYCLOLLRIVRHAP-QHCPKHFHSA-N -1 0 482.536 4.869 50 0 JJAARM COC(=O)C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(=O)CCC(=O)[O-])CC[C@]4(C)[C@@H]3CC(=O)[C@@]21C ZINC000257346884 570151957 /nfs/dbraw/zinc/15/19/57/570151957.db2.gz CQMZFUHXKMOZCK-RDIXRQJPSA-N -1 0 490.637 4.800 50 0 JJAARM COc1ccc2occ([C@@H]3CC(=O)Oc4ccc(C(=O)c5ccc(Cl)cc5)c([O-])c43)c(=O)c2c1 ZINC000263585058 570170803 /nfs/dbraw/zinc/17/08/03/570170803.db2.gz DQNJMSXFGSMEPP-KRWDZBQOSA-N -1 0 476.868 4.833 50 0 JJAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1cccc(Br)c1 ZINC000000845520 193925593 /nfs/dbraw/zinc/92/55/93/193925593.db2.gz OOOURKXCCYCGFP-QGZVFWFLSA-N -1 0 480.156 4.754 50 0 JJAARM COc1cc(Cl)c([N-]S(=O)(=O)c2cc(Br)c(Br)s2)c(OC)c1 ZINC000001043657 194008370 /nfs/dbraw/zinc/00/83/70/194008370.db2.gz CPPIXAYHVATBIL-UHFFFAOYSA-N -1 0 491.610 4.745 50 0 JJAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2Cl)cc1 ZINC000001066041 194014196 /nfs/dbraw/zinc/01/41/96/194014196.db2.gz YJWAGKSOHFPTHD-UHFFFAOYSA-N -1 0 487.984 4.551 50 0 JJAARM COc1ccc(OC)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1 ZINC000001110734 194027232 /nfs/dbraw/zinc/02/72/32/194027232.db2.gz KTSQHPWIGZDUNA-UHFFFAOYSA-N -1 0 460.939 4.719 50 0 JJAARM CCOC(=O)c1sc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000001133499 194040766 /nfs/dbraw/zinc/04/07/66/194040766.db2.gz OQTJLFDYEYPUKY-UHFFFAOYSA-N -1 0 478.979 4.940 50 0 JJAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2Cl)cc1 ZINC000001165089 194057128 /nfs/dbraw/zinc/05/71/28/194057128.db2.gz LCDQWAPYDBBYCH-UHFFFAOYSA-N -1 0 458.923 4.570 50 0 JJAARM COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000001158149 194053549 /nfs/dbraw/zinc/05/35/49/194053549.db2.gz QRWZYIDNYQSCIM-UHFFFAOYSA-N -1 0 470.938 4.845 50 0 JJAARM O=C([O-])c1ccc(NC(=O)/C(=C\c2cccc(Br)c2)NC(=O)c2ccccc2)cc1 ZINC000001191031 194065880 /nfs/dbraw/zinc/06/58/80/194065880.db2.gz DHGSHRNRTGBCEB-XSFVSMFZSA-N -1 0 465.303 4.557 50 0 JJAARM O=C(CSc1nc([O-])c(Cc2ccccc2)c(=O)n1-c1ccccc1)Nc1ccc(Cl)cc1 ZINC000001299494 194082662 /nfs/dbraw/zinc/08/26/62/194082662.db2.gz VCLVPKFUFUIXDQ-UHFFFAOYSA-N -1 0 477.973 4.913 50 0 JJAARM CC(NCc1ccccc1C(F)(F)F)=C1C(=O)[N-]C(=O)N(c2cc(Cl)ccc2Cl)C1=O ZINC000001407349 194116085 /nfs/dbraw/zinc/11/60/85/194116085.db2.gz MBOUTPKCCVOHGE-MHWRWJLKSA-N -1 0 472.250 4.659 50 0 JJAARM 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AYXDGABCZKMDBA-FQEVSTJZSA-N -1 0 479.920 4.510 50 0 JJAARM CCOc1cc(/C=C(/NC(C)=O)C(=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 ZINC000009428205 194770100 /nfs/dbraw/zinc/77/01/00/194770100.db2.gz VLMKSCVTJFVONX-RQZCQDPDSA-N -1 0 468.731 4.642 50 0 JJAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]12 ZINC000009860970 195001523 /nfs/dbraw/zinc/00/15/23/195001523.db2.gz LEPDSAHNOZDVCS-HRZAVBMWSA-N -1 0 464.304 4.629 50 0 JJAARM CCOc1cc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)ccc1OCc1ccccc1 ZINC000009892669 195016542 /nfs/dbraw/zinc/01/65/42/195016542.db2.gz XXYXBZORCZMQDQ-UHFFFAOYSA-N -1 0 462.546 4.811 50 0 JJAARM COc1cc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)ccc1OCc1ccccc1C ZINC000009892687 195016732 /nfs/dbraw/zinc/01/67/32/195016732.db2.gz TVYZRAVIFSOLBU-UHFFFAOYSA-N -1 0 462.546 4.730 50 0 JJAARM COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000012605633 195051410 /nfs/dbraw/zinc/05/14/10/195051410.db2.gz JYPSPOZONRVCIX-UHFFFAOYSA-N -1 0 480.995 4.567 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000012630586 195062518 /nfs/dbraw/zinc/06/25/18/195062518.db2.gz QJBOKBCSGBHCGR-UHFFFAOYSA-N -1 0 474.604 4.530 50 0 JJAARM COc1ccc(C(=O)Nc2ccc3oc(C)nc3c2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000012730432 195098717 /nfs/dbraw/zinc/09/87/17/195098717.db2.gz JWTVSHCFFWCTFQ-UHFFFAOYSA-N -1 0 451.504 4.506 50 0 JJAARM Cc1ccc(-c2nnc(SCc3nc(-c4cccc(C(F)(F)F)c4)no3)n2CC(=O)[O-])cc1 ZINC000012817581 195147783 /nfs/dbraw/zinc/14/77/83/195147783.db2.gz WGEANFYZOORZOI-UHFFFAOYSA-N -1 0 475.452 4.699 50 0 JJAARM CSCC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(C)cc1)C(=O)[O-] ZINC000012881206 195168755 /nfs/dbraw/zinc/16/87/55/195168755.db2.gz SWMBSQOIQMEUOU-NRFANRHFSA-N -1 0 479.554 4.688 50 0 biogenic JJAARM CCOc1cc2[n-]c(=S)n(Cc3ccc(C(=O)NC4CCCC4)cc3)c(=O)c2cc1OCC ZINC000020644631 195194352 /nfs/dbraw/zinc/19/43/52/195194352.db2.gz UKLLQDCPVZPJDV-UHFFFAOYSA-N -1 0 467.591 4.577 50 0 JJAARM COc1ccc2cc(C(=O)NCc3cccc(Cl)c3)/c(=N/c3ccc(C(=O)[O-])cc3)oc2c1 ZINC000020616693 195188409 /nfs/dbraw/zinc/18/84/09/195188409.db2.gz VKEGGXUDYORHNK-COOPMVRXSA-N -1 0 462.889 4.955 50 0 JJAARM CCOC(=O)c1ccc(CN(C(=S)Nc2cccc(OC)c2)[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000020678921 195203338 /nfs/dbraw/zinc/20/33/38/195203338.db2.gz RYLCTJQZTUQJOH-OAQYLSRUSA-N -1 0 458.580 4.570 50 0 JJAARM Cc1csc2nc(C)c(S(=O)(=O)[N-]c3ccc(Oc4ccc(Cl)cc4)cc3)c(=O)n12 ZINC000020852743 195231535 /nfs/dbraw/zinc/23/15/35/195231535.db2.gz SQMSHHDRNSVCFL-UHFFFAOYSA-N -1 0 461.952 4.619 50 0 JJAARM Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)c(C)n1C ZINC000020989822 195261798 /nfs/dbraw/zinc/26/17/98/195261798.db2.gz CZWPVBUYCMELGQ-UHFFFAOYSA-N -1 0 477.936 4.741 50 0 JJAARM CCOc1cc2c(cc1OCC)[C@H](CC(=O)[O-])N(C(=O)Nc1ccccc1Br)CC2 ZINC000021044341 195271208 /nfs/dbraw/zinc/27/12/08/195271208.db2.gz YOLAMTDEPJRVBR-SFHVURJKSA-N -1 0 477.355 4.853 50 0 JJAARM Cn1c(CCc2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2)nc2ccccc21 ZINC000021357408 195297978 /nfs/dbraw/zinc/29/79/78/195297978.db2.gz IAIZCFWGNLQPJF-UHFFFAOYSA-N -1 0 476.421 4.983 50 0 JJAARM O=C([N-]c1nc(-c2ccccc2C(F)(F)F)ns1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000096345954 130074086 /nfs/dbraw/zinc/07/40/86/130074086.db2.gz SHNRRZKGEUKYGR-UHFFFAOYSA-N -1 0 474.420 4.902 50 0 JJAARM Cc1nc2cccnc2n1C1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2cccs2)CC1 ZINC000096399348 130076832 /nfs/dbraw/zinc/07/68/32/130076832.db2.gz CBPWXUXQRUHEJM-UHFFFAOYSA-N -1 0 461.547 4.593 50 0 JJAARM CC(=O)c1ccc(N2CCN(c3ccc(NC(=O)c4cccc(Cl)c4)cc3C(=O)[O-])CC2)cc1 ZINC000033078496 518352964 /nfs/dbraw/zinc/35/29/64/518352964.db2.gz XUBUMPXZZGBAFF-UHFFFAOYSA-N -1 0 477.948 4.820 50 0 JJAARM CC(=O)c1ccc(N2CCN(c3ccc(NC(=O)c4ccc(Cl)cc4)c(C(=O)[O-])c3)CC2)cc1 ZINC000045967634 518353769 /nfs/dbraw/zinc/35/37/69/518353769.db2.gz WCRPZSBPKQZOPH-UHFFFAOYSA-N -1 0 477.948 4.820 50 0 JJAARM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C=Cc3onc(C)c3NC(=O)C3CC3)s2)cc1 ZINC000033306589 518386367 /nfs/dbraw/zinc/38/63/67/518386367.db2.gz RVJPREUOMYHKLM-PKNBQFBNSA-N -1 0 471.560 4.567 50 0 JJAARM CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)s1 ZINC000033306428 519702271 /nfs/dbraw/zinc/70/22/71/519702271.db2.gz UYJBZCWQVPNWRY-SOFGYWHQSA-N -1 0 451.957 4.936 50 0 JJAARM CC(=O)Nc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(Br)cc3)n2)cc1 ZINC000020492313 519707894 /nfs/dbraw/zinc/70/78/94/519707894.db2.gz OBPKJNNHCUPDFH-UHFFFAOYSA-N -1 0 451.280 4.711 50 0 JJAARM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)s1 ZINC000033306564 521195818 /nfs/dbraw/zinc/19/58/18/521195818.db2.gz VWSHODGNQWXBFT-VMPITWQZSA-N -1 0 453.492 4.642 50 0 JJAARM CCOc1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ccc(OC)cc2)cc1 ZINC000023119199 521269147 /nfs/dbraw/zinc/26/91/47/521269147.db2.gz RSVBOMHJQPBJEA-QHCPKHFHSA-N -1 0 479.554 4.734 50 0 JJAARM CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006146135 521391209 /nfs/dbraw/zinc/39/12/09/521391209.db2.gz HFYAMQMBEHKRCN-UHFFFAOYSA-N -1 0 476.551 4.734 50 0 JJAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3nc(-c4cccc(F)c4)no3)sc2C)c1 ZINC000046141497 521545494 /nfs/dbraw/zinc/54/54/94/521545494.db2.gz JCRSMFQYOYEDSL-UHFFFAOYSA-N -1 0 487.534 4.890 50 0 JJAARM CCCN(CCC)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1C(=O)[O-] ZINC000033253490 521651062 /nfs/dbraw/zinc/65/10/62/521651062.db2.gz WLUKYWPPVHJZFT-UHFFFAOYSA-N -1 0 455.374 4.575 50 0 JJAARM COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1OC ZINC000033497142 521978331 /nfs/dbraw/zinc/97/83/31/521978331.db2.gz WSRJEDQQANBOEY-ARJAWSKDSA-N -1 0 466.726 4.563 50 0 JJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@]2(CC(=O)N3)c3cc(F)ccc3N(CC(C)C)C2=O)cc1 ZINC000036366818 523081014 /nfs/dbraw/zinc/08/10/14/523081014.db2.gz SWIAEYLQQTUVBV-AREMUKBSSA-N -1 0 494.544 4.892 50 0 JJAARM CC[C@@H](Sc1nnc(-c2cccc(C)c2NC(C)=O)c(=O)[n-]1)C(=O)Nc1ccccc1Cl ZINC000044803269 523086225 /nfs/dbraw/zinc/08/62/25/523086225.db2.gz GTGXWVZEEQYPGV-QGZVFWFLSA-N -1 0 471.970 4.674 50 0 JJAARM COc1ccc(-c2cc(C(=O)[N-]c3nnc(SCc4ccccc4)s3)no2)cc1OC ZINC000046086960 523101980 /nfs/dbraw/zinc/10/19/80/523101980.db2.gz LTHKOABZGJVSBO-UHFFFAOYSA-N -1 0 454.533 4.755 50 0 JJAARM COc1ccc(-c2cnn3c2nc(C)cc3C)cc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C ZINC000033171414 523155311 /nfs/dbraw/zinc/15/53/11/523155311.db2.gz PORGZFBXNRTONP-UHFFFAOYSA-N -1 0 450.564 4.748 50 0 JJAARM CN(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1C(=O)[O-] ZINC000033253456 523354535 /nfs/dbraw/zinc/35/45/35/523354535.db2.gz XOZFMELPYNSIDI-UHFFFAOYSA-N -1 0 475.364 4.585 50 0 JJAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(-c2cn3ccccc3n2)ccc1C ZINC000008606673 523507246 /nfs/dbraw/zinc/50/72/46/523507246.db2.gz SOHJDIUNMSNZKN-UHFFFAOYSA-N -1 0 472.364 4.882 50 0 aggregator JJAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(-c2cn3ccccc3n2)cc1 ZINC000016780421 523507584 /nfs/dbraw/zinc/50/75/84/523507584.db2.gz FCPRPCNDDPPIOM-UHFFFAOYSA-N -1 0 458.337 4.573 50 0 JJAARM CCn1nc(C)c(CCN(C)c2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2C(=O)[O-])c1C ZINC000033253796 523632114 /nfs/dbraw/zinc/63/21/14/523632114.db2.gz MVMUMPAPGAQERZ-UHFFFAOYSA-N -1 0 498.649 4.623 50 0 JJAARM COc1ccc(C(=O)Nc2ccc3nc(N4CCN(c5ccccc5)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000033260857 523755036 /nfs/dbraw/zinc/75/50/36/523755036.db2.gz XPHALECSPQOQIM-UHFFFAOYSA-N -1 0 482.540 4.521 50 0 JJAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1c2oc(C(=O)N3CCCC3)c(C)c2cc(C)c1C ZINC000065010542 523844031 /nfs/dbraw/zinc/84/40/31/523844031.db2.gz JSNUJKXHGRGODX-UHFFFAOYSA-N -1 0 456.564 4.712 50 0 JJAARM COc1cccc2cc(-c3nc(-c4ccc(Br)cc4)c(CC(=O)[O-])s3)c(=O)oc21 ZINC000013940532 524255368 /nfs/dbraw/zinc/25/53/68/524255368.db2.gz YPHFFBXMUKDPTA-UHFFFAOYSA-N -1 0 472.316 4.982 50 0 JJAARM Cc1ccc(CC(=O)Nc2ccc3nc(N4CCN(c5ccccc5F)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000033260893 524275444 /nfs/dbraw/zinc/27/54/44/524275444.db2.gz SFRUNIWPNJTWGT-UHFFFAOYSA-N -1 0 498.558 4.888 50 0 JJAARM COc1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000035479419 524385499 /nfs/dbraw/zinc/38/54/99/524385499.db2.gz SUQUDRQWZKUQDY-HXUWFJFHSA-N -1 0 455.919 4.680 50 0 JJAARM COc1ccccc1CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000016635128 524483809 /nfs/dbraw/zinc/48/38/09/524483809.db2.gz USFXBUZSDLETKJ-UHFFFAOYSA-N -1 0 465.358 4.733 50 0 JJAARM COc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000016045136 524624329 /nfs/dbraw/zinc/62/43/29/524624329.db2.gz NHPFHEKEKHJFQX-UHFFFAOYSA-N -1 0 484.917 4.508 50 0 JJAARM COc1ccccc1NC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000006075253 524625006 /nfs/dbraw/zinc/62/50/06/524625006.db2.gz ARKCLPNNRZBFTD-CQSZACIVSA-N -1 0 458.580 4.963 50 0 JJAARM COc1ccc(NC(=O)c2cc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])ccc2N2CCCCC2)cc1 ZINC000016400781 524626119 /nfs/dbraw/zinc/62/61/19/524626119.db2.gz KFZXBHIMNITMST-FGZHOGPDSA-N -1 0 479.577 4.767 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccccc3C)nc2c1 ZINC000003269559 524645801 /nfs/dbraw/zinc/64/58/01/524645801.db2.gz CTAGAVCGBJOZMR-UHFFFAOYSA-N -1 0 483.571 4.676 50 0 JJAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(-c3nc(-c4ccccc4)no3)sc2C)c1 ZINC000046141266 524870720 /nfs/dbraw/zinc/87/07/20/524870720.db2.gz NHHGWNMIOMANOO-UHFFFAOYSA-N -1 0 457.533 4.592 50 0 JJAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000006183605 525002345 /nfs/dbraw/zinc/00/23/45/525002345.db2.gz NOSAVPAEZNRPJD-UHFFFAOYSA-N -1 0 487.984 4.551 50 0 JJAARM COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N(CC(C)C)CC(C)C)cc1Cl ZINC000033254017 525076424 /nfs/dbraw/zinc/07/64/24/525076424.db2.gz LFHBHUBELORHSP-UHFFFAOYSA-N -1 0 469.003 4.966 50 0 JJAARM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1ccc(Br)cc1 ZINC000012508033 525331666 /nfs/dbraw/zinc/33/16/66/525331666.db2.gz MTBPYUBLKUCWPG-CYBMUJFWSA-N -1 0 465.394 4.802 50 0 JJAARM Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)[O-])c1 ZINC000033253343 525331628 /nfs/dbraw/zinc/33/16/28/525331628.db2.gz DJBWNJVJXOEILF-UHFFFAOYSA-N -1 0 464.587 4.953 50 0 JJAARM Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)cc2)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000033279662 525473831 /nfs/dbraw/zinc/47/38/31/525473831.db2.gz KXFSGOSSANOFBS-UHFFFAOYSA-N -1 0 472.876 4.752 50 0 JJAARM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cc(OC)ccc4OC)cc3)sc2c1 ZINC000033169197 525655232 /nfs/dbraw/zinc/65/52/32/525655232.db2.gz FSZKEQLTZWBYFB-UHFFFAOYSA-N -1 0 456.545 4.790 50 0 JJAARM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccn(Cc3c(F)c(F)cc(F)c3F)n2)c(C)c1C ZINC000020293939 525673748 /nfs/dbraw/zinc/67/37/48/525673748.db2.gz POFSGNQRJMFGQA-UHFFFAOYSA-N -1 0 455.477 4.831 50 0 JJAARM Cc1ccnc(O[C@H](C(=O)[O-])[C@](OCc2ccccc2)(c2ccccc2)c2ccc(F)cc2)n1 ZINC000013942240 525705449 /nfs/dbraw/zinc/70/54/49/525705449.db2.gz LUSJITYJAUIVPI-SQHAQQRYSA-N -1 0 458.489 4.917 50 0 JJAARM Cc1c(OCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000002120858 525880734 /nfs/dbraw/zinc/88/07/34/525880734.db2.gz JJSVREANVSQQRU-QFIPXVFZSA-N -1 0 491.927 4.613 50 0 biogenic JJAARM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000006142717 525925922 /nfs/dbraw/zinc/92/59/22/525925922.db2.gz NVGPJDJNKPTLHN-IBGZPJMESA-N -1 0 473.554 4.955 50 0 JJAARM COc1cccc(NC(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccccc4)sc3c2)c1 ZINC000013349343 526195678 /nfs/dbraw/zinc/19/56/78/526195678.db2.gz ZYFLJDSTXMOHMD-UHFFFAOYSA-N -1 0 454.533 4.750 50 0 JJAARM O=C([O-])c1cc(NC(=O)c2ccc(Br)cc2)ccc1N1CCN(c2ccc(F)cc2)CC1 ZINC000033078630 526350076 /nfs/dbraw/zinc/35/00/76/526350076.db2.gz UFHOVKQIDHBTRF-UHFFFAOYSA-N -1 0 498.352 4.865 50 0 JJAARM O=C([O-])c1cc(NC(=O)c2ccccc2Cl)ccc1N1CCN(c2ccccc2F)CC1 ZINC000033078655 526350802 /nfs/dbraw/zinc/35/08/02/526350802.db2.gz UMZIDRUDOAKKCS-UHFFFAOYSA-N -1 0 453.901 4.756 50 0 JJAARM O=C([O-])c1ccc(-n2c(=O)c3ccccc3nc2/C=C/c2cc(Br)ccc2O)cc1 ZINC000012437229 526359350 /nfs/dbraw/zinc/35/93/50/526359350.db2.gz TUJPYNUVRDGQQM-KPKJPENVSA-N -1 0 463.287 4.722 50 0 JJAARM O=C([O-])c1ccc(N2CCC(Cc3ccccc3)CC2)c(NS(=O)(=O)c2cccc(F)c2)c1 ZINC000033253836 526373167 /nfs/dbraw/zinc/37/31/67/526373167.db2.gz VYMZSDDYYYKIDQ-UHFFFAOYSA-N -1 0 468.550 4.784 50 0 JJAARM O=C([O-])c1cccc(-n2cccc2/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c1 ZINC000013881372 526387322 /nfs/dbraw/zinc/38/73/22/526387322.db2.gz XZSRNQWOJFICNY-UNOMPAQXSA-N -1 0 481.917 4.504 50 0 JJAARM Cc1oc2c(cc3c(C)c(CCC(=O)NCC4CCC(C(=O)[O-])CC4)c(=O)oc3c2C)c1C ZINC000002104723 526780075 /nfs/dbraw/zinc/78/00/75/526780075.db2.gz LVXGINRSYCBQFW-UHFFFAOYSA-N -1 0 453.535 4.713 50 0 biogenic JJAARM Cc1occc1-c1nnc(SCC(=O)Nc2cc(C(=O)[O-])ccc2Cl)n1Cc1ccccc1 ZINC000013345507 526798016 /nfs/dbraw/zinc/79/80/16/526798016.db2.gz QEYHLACPSDOOKZ-UHFFFAOYSA-N -1 0 482.949 4.977 50 0 JJAARM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000001182333 527047658 /nfs/dbraw/zinc/04/76/58/527047658.db2.gz DULIHBYTPQLNJI-JAIQZWGSSA-N -1 0 483.307 4.944 50 0 JJAARM Cc1nc2sc([C@H](c3ccccc3Cl)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000022627186 527206744 /nfs/dbraw/zinc/20/67/44/527206744.db2.gz JQGKGVVKPRQYKP-IBGZPJMESA-N -1 0 457.962 4.509 50 0 JJAARM Cc1nc2sc([C@@H](c3ccccc3F)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000022627094 527207367 /nfs/dbraw/zinc/20/73/67/527207367.db2.gz UPRKLKCTBMSYBT-LJQANCHMSA-N -1 0 457.962 4.509 50 0 JJAARM O=S(=O)([N-]c1ccc(-c2noc(CCc3c[nH]c4ccccc34)n2)cc1)c1cccs1 ZINC000033122919 527246227 /nfs/dbraw/zinc/24/62/27/527246227.db2.gz FCKSOFJZFCDFFR-UHFFFAOYSA-N -1 0 450.545 4.865 50 0 JJAARM O=C(Nc1cccc2nsnc21)c1cccc([N-]S(=O)(=O)c2ccccc2Br)c1 ZINC000033170517 527390012 /nfs/dbraw/zinc/39/00/12/527390012.db2.gz FPZZDUZKUZIFGF-UHFFFAOYSA-N -1 0 489.376 4.507 50 0 JJAARM O=C([O-])/C(=C\C(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1)c1ccccc1 ZINC000000627010 553714985 /nfs/dbraw/zinc/71/49/85/553714985.db2.gz TVDIZUCLEMLGGL-MOHJPFBDSA-N -1 0 461.949 4.773 50 0 JJAARM Cc1cccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)c1 ZINC000000639773 553723163 /nfs/dbraw/zinc/72/31/63/553723163.db2.gz XATKCAAISXHLNN-UHFFFAOYSA-N -1 0 471.387 4.903 50 0 JJAARM CCOC(=O)c1c([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)sc(C)c1-c1ccc(OC)cc1 ZINC000000662923 553740328 /nfs/dbraw/zinc/74/03/28/553740328.db2.gz GJYMRPRAEJAUIN-UHFFFAOYSA-N -1 0 488.587 4.668 50 0 JJAARM O=C([O-])C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12 ZINC000000849916 553798018 /nfs/dbraw/zinc/79/80/18/553798018.db2.gz JWCBVHPTSKUOQO-HRZAVBMWSA-N -1 0 464.304 4.629 50 0 JJAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(Oc4ccccc4)c3)cc2)s1 ZINC000000940871 553876758 /nfs/dbraw/zinc/87/67/58/553876758.db2.gz TWWCYYKUOUYNKM-UHFFFAOYSA-N -1 0 480.571 4.946 50 0 JJAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1Br ZINC000000983162 553891959 /nfs/dbraw/zinc/89/19/59/553891959.db2.gz PXTCPPJEOKZHFP-OAHLLOKOSA-N -1 0 489.391 4.750 50 0 JJAARM CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc1 ZINC000001057812 553902066 /nfs/dbraw/zinc/90/20/66/553902066.db2.gz MWCMNKDLKXZUBJ-UHFFFAOYSA-N -1 0 471.966 4.968 50 0 JJAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)[O-])oc1c3CCCC1 ZINC000002100737 554042693 /nfs/dbraw/zinc/04/26/93/554042693.db2.gz IOKGKEXRFCFVJL-OAQYLSRUSA-N -1 0 493.943 4.734 50 0 biogenic JJAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCC1CCC(C(=O)[O-])CC1)occ3C(C)(C)C ZINC000002113294 554051583 /nfs/dbraw/zinc/05/15/83/554051583.db2.gz VVHIMZBKOGZHBX-UHFFFAOYSA-N -1 0 453.535 4.695 50 0 biogenic JJAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCC(C(=O)[O-])CC1)occ3-c1ccc(F)cc1 ZINC000002113880 554052311 /nfs/dbraw/zinc/05/23/11/554052311.db2.gz SFKFCNJDDKUYSA-UHFFFAOYSA-N -1 0 463.461 4.519 50 0 biogenic JJAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCCC(=O)[O-])occ3-c1ccc(Br)cc1 ZINC000002128867 554059255 /nfs/dbraw/zinc/05/92/55/554059255.db2.gz WFPMGCHGHZPQGM-UHFFFAOYSA-N -1 0 498.329 4.801 50 0 biogenic JJAARM Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)[O-])C(=O)N32)cc1 ZINC000002135475 554061829 /nfs/dbraw/zinc/06/18/29/554061829.db2.gz KGFKTBGYKGVLBC-UPVQGACJSA-N -1 0 451.482 4.657 50 0 biogenic JJAARM CSC[C@H](NC(=O)CCc1c(C)c2cc3c(oc(C)c3-c3ccccc3)c(C)c2oc1=O)C(=O)[O-] ZINC000002158652 554073827 /nfs/dbraw/zinc/07/38/27/554073827.db2.gz KMDXCFAKTVWZEM-NRFANRHFSA-N -1 0 493.581 4.996 50 0 biogenic JJAARM O=C([O-])CC12C[C@H]3C[C@@H](C1)CC(n1ncc(NCc4ccccc4Cl)c(Cl)c1=O)(C3)C2 ZINC000002356936 554164279 /nfs/dbraw/zinc/16/42/79/554164279.db2.gz UHMDGWOQVRQQBZ-CBKSTNSXSA-N -1 0 462.377 4.932 50 0 JJAARM NC(=O)c1c([N-]C(NC(=O)CCc2ccccc2)(C(F)(F)F)C(F)(F)F)sc2c1CCCC2 ZINC000002359283 554165120 /nfs/dbraw/zinc/16/51/20/554165120.db2.gz HZFRIEZHRJKELS-UHFFFAOYSA-N -1 0 493.473 4.708 50 0 JJAARM CCOC(=O)c1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000002427993 554203068 /nfs/dbraw/zinc/20/30/68/554203068.db2.gz DFLLUFDJTUPDMW-UHFFFAOYSA-N -1 0 462.531 4.659 50 0 JJAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc3nsnc32)cc1F ZINC000002428677 554203487 /nfs/dbraw/zinc/20/34/87/554203487.db2.gz QKQVPEHMFOOINB-UHFFFAOYSA-N -1 0 466.523 4.626 50 0 JJAARM Cc1cc(C(F)(F)F)nn1CCc1nnc([N-]c2ccn(Cc3ccccc3Cl)n2)s1 ZINC000002731132 554315277 /nfs/dbraw/zinc/31/52/77/554315277.db2.gz XQKOKUJVOKRIRR-UHFFFAOYSA-N -1 0 467.908 4.946 50 0 JJAARM Cc1c(Br)c(-c2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)nn1C ZINC000002731638 554315829 /nfs/dbraw/zinc/31/58/29/554315829.db2.gz MLMDYGNJNQRUDS-UHFFFAOYSA-N -1 0 464.780 4.651 50 0 JJAARM Fc1cccc(Cl)c1Cn1ccc([N-]c2nnc(Cn3ccc(C(F)(F)F)n3)s2)n1 ZINC000002809673 554359976 /nfs/dbraw/zinc/35/99/76/554359976.db2.gz HAZBYBNGELBVJX-UHFFFAOYSA-N -1 0 457.844 4.583 50 0 JJAARM COc1cccc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)c1OCc1cccc(C(=O)[O-])c1 ZINC000002829024 554367283 /nfs/dbraw/zinc/36/72/83/554367283.db2.gz KBZIZRLLWGMHSX-NDENLUEZSA-N -1 0 478.888 4.723 50 0 JJAARM COc1ccc(-c2csc(Nc3ccc(S(=O)(=O)[N-]c4cc(C)on4)cc3)n2)cc1OC ZINC000002885575 554406423 /nfs/dbraw/zinc/40/64/23/554406423.db2.gz KVJLCIVIRQLHNO-UHFFFAOYSA-N -1 0 472.548 4.668 50 0 JJAARM O=C(CCCn1c(=O)c2cc(Br)ccc2[n-]c1=S)NCc1ccccc1Cl ZINC000002973739 554414535 /nfs/dbraw/zinc/41/45/35/554414535.db2.gz IDBMMNSJGHWFEN-UHFFFAOYSA-N -1 0 466.788 4.572 50 0 JJAARM CCCC[C@H](CC)CNC(=O)c1ccc(Cn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)cc1 ZINC000002975397 554415327 /nfs/dbraw/zinc/41/53/27/554415327.db2.gz LRWDKHBCGFYLLM-INIZCTEOSA-N -1 0 467.591 4.782 50 0 JJAARM COc1ccccc1Cn1c(=O)c2ccc(C(=O)N3CC=C(c4ccccc4)CC3)cc2[n-]c1=S ZINC000003051993 554424833 /nfs/dbraw/zinc/42/48/33/554424833.db2.gz SQKYDRHSVCKICX-UHFFFAOYSA-N -1 0 483.593 4.672 50 0 JJAARM O=c1oc2ccccc2c([O-])c1C1c2c(=O)oc3ccccc3c2Oc2c3ccccc3oc(=O)c21 ZINC000005835063 554494747 /nfs/dbraw/zinc/49/47/47/554494747.db2.gz PMUHMVLTTXRCBH-UHFFFAOYSA-N -1 0 478.412 4.997 50 0 JJAARM C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1)C(=O)Nc1ccc(F)cc1 ZINC000006093628 554505006 /nfs/dbraw/zinc/50/50/06/554505006.db2.gz DYFDSFJKIMVSAG-LBPRGKRZSA-N -1 0 482.942 4.525 50 0 JJAARM COc1cccc(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)c1 ZINC000008744870 554648056 /nfs/dbraw/zinc/64/80/56/554648056.db2.gz XVRLCHMJGDPDSW-UHFFFAOYSA-N -1 0 458.967 4.947 50 0 JJAARM O=C([O-])c1csc(-n2nc(-c3ccc(Br)cc3)cc2C(F)(F)C(F)F)n1 ZINC000008750689 554652748 /nfs/dbraw/zinc/65/27/48/554652748.db2.gz QSPYGTRFMUMYLU-UHFFFAOYSA-N -1 0 450.211 4.813 50 0 JJAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cc4cc(C)ccc4nc3Cl)C2)cc1OC ZINC000008816916 554699220 /nfs/dbraw/zinc/69/92/20/554699220.db2.gz VRXPMYFZFCNDEJ-HXUWFJFHSA-N -1 0 481.936 4.756 50 0 JJAARM Cc1ccc2nc(N3CCN(C(=O)CC4(CC(=O)[O-])CCCC4)CC3)nc(-c3ccccc3)c2c1 ZINC000008837036 554737680 /nfs/dbraw/zinc/73/76/80/554737680.db2.gz KJIHEWLWXMXRKT-UHFFFAOYSA-N -1 0 472.589 4.679 50 0 JJAARM CN1c2ccccc2Oc2ccc([N-]S(=O)(=O)c3ccccc3Br)cc2C1=O ZINC000008961025 554837503 /nfs/dbraw/zinc/83/75/03/554837503.db2.gz ALCPKICFXKIBCL-UHFFFAOYSA-N -1 0 459.321 4.632 50 0 JJAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)Nc2cc(Cl)ccc2O3)c1 ZINC000008961362 554837844 /nfs/dbraw/zinc/83/78/44/554837844.db2.gz ILSPLEZUACIBMJ-UHFFFAOYSA-N -1 0 460.895 4.516 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N(c2ccccn2)[C@@H](C)c2ccco2)c1 ZINC000009090613 554891487 /nfs/dbraw/zinc/89/14/87/554891487.db2.gz FRFOPNSZXQOIOX-SFHVURJKSA-N -1 0 477.542 4.892 50 0 JJAARM COc1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(Nc3ccc(NC(C)=O)cc3)nc2c1 ZINC000009111089 554898548 /nfs/dbraw/zinc/89/85/48/554898548.db2.gz JMYYAYUGVOCACC-UHFFFAOYSA-N -1 0 497.964 4.795 50 0 JJAARM O=S(=O)([N-]c1ncccn1)c1ccc(NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000009127718 554923109 /nfs/dbraw/zinc/92/31/09/554923109.db2.gz QGJTWNSPFNJUBA-UHFFFAOYSA-N -1 0 487.916 4.759 50 0 JJAARM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3c[nH]c4ccccc43)ccc2OC)cc1 ZINC000009157159 554946717 /nfs/dbraw/zinc/94/67/17/554946717.db2.gz JHLCYJJFLIHOBN-UHFFFAOYSA-N -1 0 465.531 4.628 50 0 JJAARM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(CCC(C)C)C(=O)C(C)(C)CO2 ZINC000009174309 554954974 /nfs/dbraw/zinc/95/49/74/554954974.db2.gz RNAAUCXBAHKDSO-UHFFFAOYSA-N -1 0 474.623 4.992 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)Nc2ccccc2)ccc1N1CCCC1 ZINC000009203841 554974031 /nfs/dbraw/zinc/97/40/31/554974031.db2.gz WZMIIDDEYWXAFV-UHFFFAOYSA-N -1 0 466.563 4.740 50 0 JJAARM COc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccco4)=NN32)c(C(=O)[O-])c1OC ZINC000009301338 555074624 /nfs/dbraw/zinc/07/46/24/555074624.db2.gz KYCVJKBDLNOHBR-KSFYIVLOSA-N -1 0 499.317 5.000 50 0 JJAARM COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccc(OC)c(Cl)c1 ZINC000009320542 555095156 /nfs/dbraw/zinc/09/51/56/555095156.db2.gz RBMKXGDZYLTTAB-UHFFFAOYSA-N -1 0 451.953 4.973 50 0 JJAARM CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000009323721 555096840 /nfs/dbraw/zinc/09/68/40/555096840.db2.gz TUUJBYKBTZSVHA-XDHOZWIPSA-N -1 0 491.949 4.699 50 0 JJAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2Cl)c(C)c1 ZINC000009355969 555120753 /nfs/dbraw/zinc/12/07/53/555120753.db2.gz FXFXFXHUFPTTRA-UHFFFAOYSA-N -1 0 484.021 4.720 50 0 JJAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCC[C@H](C(=O)[O-])C1)occ3-c1ccc(F)cc1 ZINC000009418840 555185876 /nfs/dbraw/zinc/18/58/76/555185876.db2.gz APMUWOKHMJRLCA-INIZCTEOSA-N -1 0 463.461 4.519 50 0 JJAARM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000009468658 555248940 /nfs/dbraw/zinc/24/89/40/555248940.db2.gz FVGHGPYRNROAGN-OAHLLOKOSA-N -1 0 487.006 4.879 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCCc3c[nH]c4ccccc34)ccc2OC)cc1 ZINC000009490982 555267326 /nfs/dbraw/zinc/26/73/26/555267326.db2.gz PCJRUERXEBNFLN-UHFFFAOYSA-N -1 0 493.585 4.947 50 0 JJAARM Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 ZINC000009493905 555277094 /nfs/dbraw/zinc/27/70/94/555277094.db2.gz SJOYEVUJOCIVRA-UHFFFAOYSA-N -1 0 476.523 4.677 50 0 JJAARM O=c1nc(CSc2nc3ccccc3c(=O)n2CCC2=CCCCC2)[n-]c2ccsc21 ZINC000009513309 555303745 /nfs/dbraw/zinc/30/37/45/555303745.db2.gz FYSGKORXNXBGRI-UHFFFAOYSA-N -1 0 450.589 4.877 50 0 JJAARM Nc1nc(SCc2cccc(Cl)c2)[n-]c(=O)c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000009518224 555312750 /nfs/dbraw/zinc/31/27/50/555312750.db2.gz SCEWZLPLVDXTGQ-UHFFFAOYSA-N -1 0 454.861 4.569 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCOc3cc(C)ccc3C)ccc2OC)cc1 ZINC000009539561 555331061 /nfs/dbraw/zinc/33/10/61/555331061.db2.gz LDYSQUGYJJSALX-UHFFFAOYSA-N -1 0 484.574 4.529 50 0 JJAARM Cc1cc(C)nc(O[C@@H](C(=O)[O-])C(OCC(C)C)(c2ccc(F)cc2)c2ccc(F)cc2)n1 ZINC000009553638 555350014 /nfs/dbraw/zinc/35/00/14/555350014.db2.gz CEUXLMUQFKMJEV-QFIPXVFZSA-N -1 0 456.489 4.820 50 0 JJAARM CCN(CC)c1ccc(NC(=O)c2ccc(Cl)nc2)cc1S(=O)(=O)[N-]c1ccccc1OC ZINC000009662895 555370153 /nfs/dbraw/zinc/37/01/53/555370153.db2.gz VFCYEHKTORRSIW-UHFFFAOYSA-N -1 0 488.997 4.643 50 0 JJAARM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccco4)c3[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009679542 555406349 /nfs/dbraw/zinc/40/63/49/555406349.db2.gz DUWRFRVALVAEFP-XMMPIXPASA-N -1 0 473.485 4.613 50 0 JJAARM O=C(CCCc1nc2ccccc2s1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000009592341 555406655 /nfs/dbraw/zinc/40/66/55/555406655.db2.gz JKJXVBXKVSSYFY-UHFFFAOYSA-N -1 0 458.590 4.515 50 0 JJAARM CCc1nc2sc([C@@H](c3cccs3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000009716814 555450320 /nfs/dbraw/zinc/45/03/20/555450320.db2.gz YWLPFFUFTOYOLV-GOSISDBHSA-N -1 0 460.028 4.685 50 0 JJAARM COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C/c1ccccc1C(F)(F)F)NC(=O)c1ccccc1 ZINC000013575856 555514907 /nfs/dbraw/zinc/51/49/07/555514907.db2.gz LBUNUKBNMFPMRR-MOSHPQCFSA-N -1 0 484.430 4.822 50 0 JJAARM O=C([O-])C=CC(=O)Nc1cccc(S[C@H]2CC(=O)N(c3ccc(/C=C/c4ccccc4)cc3)C2=O)c1 ZINC000013576488 555515578 /nfs/dbraw/zinc/51/55/78/555515578.db2.gz NRHPGLALXCLRNQ-CZTPMEDXSA-N -1 0 498.560 4.861 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3ccc(Br)c(C)c3)cs2)cc1 ZINC000009828601 555526384 /nfs/dbraw/zinc/52/63/84/555526384.db2.gz XLHRYKIALXYGGE-UHFFFAOYSA-N -1 0 480.409 4.504 50 0 JJAARM CC(C)c1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Oc5ccccc5)cc4)c=3c2=O)cc1 ZINC000009836073 555541401 /nfs/dbraw/zinc/54/14/01/555541401.db2.gz IQQQLCBUOWZNJU-RPBOFIJWSA-N -1 0 483.528 4.534 50 0 JJAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccc(C(=O)Nc4nc5ccccc5s4)cc3s2)cc1 ZINC000013723416 555599115 /nfs/dbraw/zinc/59/91/15/555599115.db2.gz FZMZZSBGYWDNBD-UHFFFAOYSA-N -1 0 496.595 4.968 50 0 JJAARM CCOc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2nc(=O)o[n-]2)cc1 ZINC000013760707 555612527 /nfs/dbraw/zinc/61/25/27/555612527.db2.gz PCMXVTVLQVGYLX-UHFFFAOYSA-N -1 0 470.485 4.693 50 0 JJAARM COc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000010109789 555619604 /nfs/dbraw/zinc/61/96/04/555619604.db2.gz JXGRKQOBYJNOGG-UHFFFAOYSA-N -1 0 469.291 4.661 50 0 JJAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(NC(=O)CC(C)C)cc1 ZINC000011325116 555772562 /nfs/dbraw/zinc/77/25/62/555772562.db2.gz GMIYFHLMAKBCIF-UHFFFAOYSA-N -1 0 455.374 4.633 50 0 JJAARM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)OCc2cc(-c3ccco3)on2)ccc1F ZINC000011333718 555773448 /nfs/dbraw/zinc/77/34/48/555773448.db2.gz AXVUDWXJJPLZQR-UHFFFAOYSA-N -1 0 456.451 4.540 50 0 JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCCC(=O)NCc4ccc(C)cc4)c3=O)c2c1 ZINC000020329109 555775119 /nfs/dbraw/zinc/77/51/19/555775119.db2.gz GODGNEVKXWEYSF-UHFFFAOYSA-N -1 0 464.591 4.734 50 0 JJAARM CC[C@H](C)[C@@H](NC(=O)CCc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4)C(=O)[O-] ZINC000011865477 555840250 /nfs/dbraw/zinc/84/02/50/555840250.db2.gz DPIMMPIMQIETGR-WHEQGISXSA-N -1 0 453.535 4.583 50 0 JJAARM Cc1c2oc3c(c2cc2c(C)c(CCC(=O)N[C@H](Cc4ccccc4)C(=O)[O-])c(=O)oc12)CCCC3 ZINC000011865558 555840326 /nfs/dbraw/zinc/84/03/26/555840326.db2.gz LPGNBCUFMMMJOE-HSZRJFAPSA-N -1 0 487.552 4.780 50 0 JJAARM C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(Br)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000015022356 555863961 /nfs/dbraw/zinc/86/39/61/555863961.db2.gz LXRCRGPDHUKWEN-GASCZTMLSA-N -1 0 451.386 4.653 50 0 JJAARM COc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)[n-]c2S(=O)(=O)c2ccccc2)cc1 ZINC000012112524 555909226 /nfs/dbraw/zinc/90/92/26/555909226.db2.gz GENSUBHVSAWGGE-UHFFFAOYSA-N -1 0 493.610 4.957 50 0 JJAARM Cc1ccc(CNC(=O)CSc2nc(-c3ccc(C)cc3)[n-]c2S(=O)(=O)c2ccccc2)cc1 ZINC000012112520 555909376 /nfs/dbraw/zinc/90/93/76/555909376.db2.gz BJEYDCLDXBMUTD-UHFFFAOYSA-N -1 0 491.638 4.935 50 0 JJAARM [O-]c1c([C@H](c2ccccc2)N2CCN(c3ccccc3F)CC2)sc2nc(-c3ccco3)nn12 ZINC000022851802 555958634 /nfs/dbraw/zinc/95/86/34/555958634.db2.gz IZMMAXINHLIZJP-NRFANRHFSA-N -1 0 475.549 4.807 50 0 JJAARM CCOC(=O)C1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Cl)cc2)CC1 ZINC000022851942 555958851 /nfs/dbraw/zinc/95/88/51/555958851.db2.gz DXDJEMXYVKKVSW-SFHVURJKSA-N -1 0 486.981 4.774 50 0 JJAARM CCc1nc2sc([C@H](c3cccc(OC)c3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000022854787 555961551 /nfs/dbraw/zinc/96/15/51/555961551.db2.gz JLBPKFDUEKCJTF-NRFANRHFSA-N -1 0 484.025 4.632 50 0 JJAARM CCc1nc2sc([C@@H](c3cccc(OC)c3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000022854789 555961606 /nfs/dbraw/zinc/96/16/06/555961606.db2.gz JLBPKFDUEKCJTF-OAQYLSRUSA-N -1 0 484.025 4.632 50 0 JJAARM CCc1nc2sc([C@@H](c3ccccc3Cl)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000022854883 555961841 /nfs/dbraw/zinc/96/18/41/555961841.db2.gz ZYHBBLHXSBAPNM-HXUWFJFHSA-N -1 0 471.989 4.763 50 0 JJAARM CCOc1ccc([C@@H](c2sc3nc(CC)nn3c2[O-])N2CCN(c3ccccc3F)CC2)cc1 ZINC000022854860 555961853 /nfs/dbraw/zinc/96/18/53/555961853.db2.gz VPURMHYFDVJZBO-QFIPXVFZSA-N -1 0 481.597 4.508 50 0 JJAARM CCc1nc2sc([C@@H](c3ccc(CC)cc3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000022854917 555962120 /nfs/dbraw/zinc/96/21/20/555962120.db2.gz JBPRDDGRZOKLBI-JOCHJYFZSA-N -1 0 465.598 4.672 50 0 JJAARM Cc1nc2sc([C@@H](c3ccco3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c([O-])n2n1 ZINC000022875228 555963235 /nfs/dbraw/zinc/96/32/35/555963235.db2.gz MOMUBXZLXXYZRJ-XMMPIXPASA-N -1 0 485.613 4.894 50 0 JJAARM CSCC[C@H](NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000012381659 555970116 /nfs/dbraw/zinc/97/01/16/555970116.db2.gz UBNDVRUDFUYIRH-RLKVQFJASA-N -1 0 489.037 4.731 50 0 JJAARM COC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000015746587 555984706 /nfs/dbraw/zinc/98/47/06/555984706.db2.gz RCNGLQIRQLQASA-UONOGXRCSA-N -1 0 464.337 4.570 50 0 JJAARM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)Cc3c(F)cccc3Cl)ccc2OC)cc1 ZINC000012536132 556009015 /nfs/dbraw/zinc/00/90/15/556009015.db2.gz BRKAROMWYMQJNH-UHFFFAOYSA-N -1 0 492.956 4.868 50 0 JJAARM Cc1nc2sc([C@H](c3ccc(F)cc3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000023157533 556025800 /nfs/dbraw/zinc/02/58/00/556025800.db2.gz JTAAKTNYNTYBBX-IBGZPJMESA-N -1 0 457.962 4.509 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)[C@H](C)Oc4ccccc4)cc3s2)cc1 ZINC000015861938 556034536 /nfs/dbraw/zinc/03/45/36/556034536.db2.gz RYDADTKOZHLXPK-INIZCTEOSA-N -1 0 467.572 4.812 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)[C@@H](C)Oc4ccccc4)cc3s2)cc1 ZINC000015861937 556034562 /nfs/dbraw/zinc/03/45/62/556034562.db2.gz RYDADTKOZHLXPK-MRXNPFEDSA-N -1 0 467.572 4.812 50 0 JJAARM COc1ccc(C(=O)Nc2cc3sc([N-]S(=O)(=O)c4ccc(C)cc4)nc3c(C)c2)cc1 ZINC000015862037 556034736 /nfs/dbraw/zinc/03/47/36/556034736.db2.gz OTHUTUXEFFYKAX-UHFFFAOYSA-N -1 0 467.572 4.975 50 0 JJAARM C[C@H](Oc1ccccc1)C(=O)Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000015862120 556035126 /nfs/dbraw/zinc/03/51/26/556035126.db2.gz BRVHDBQRTXLOGD-HNNXBMFYSA-N -1 0 453.545 4.503 50 0 JJAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(CCc2nc3ccccc3n2C)cc1 ZINC000015870656 556050563 /nfs/dbraw/zinc/05/05/63/556050563.db2.gz YPBMVWAERLAUNX-UHFFFAOYSA-N -1 0 455.967 4.821 50 0 JJAARM CCn1c(CCc2ccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)cc2)nc2ccccc21 ZINC000015870588 556050643 /nfs/dbraw/zinc/05/06/43/556050643.db2.gz WAYWRVZSEDVFFX-UHFFFAOYSA-N -1 0 465.575 4.659 50 0 JJAARM COc1ccc(OCCSc2nc3cc(S(=O)(=O)[N-]c4ccccc4OC)ccc3o2)cc1 ZINC000012578707 556077654 /nfs/dbraw/zinc/07/76/54/556077654.db2.gz YTIOZVZKAIPCRU-UHFFFAOYSA-N -1 0 486.571 4.817 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(SCCOc3ccccc3F)nc2c1 ZINC000012578722 556077694 /nfs/dbraw/zinc/07/76/94/556077694.db2.gz JXQUGGBXVWEYEW-UHFFFAOYSA-N -1 0 474.535 4.947 50 0 JJAARM Cc1c(O[C@@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000016042910 556122121 /nfs/dbraw/zinc/12/21/21/556122121.db2.gz WSHNOFKKEWNFQJ-NBGIEHNGSA-N -1 0 499.563 4.580 50 0 JJAARM COc1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccccc2F)cc1Cl ZINC000024193197 556126261 /nfs/dbraw/zinc/12/62/61/556126261.db2.gz PLMHRARXJNVQOU-FQEVSTJZSA-N -1 0 473.909 4.819 50 0 JJAARM CCc1nnc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)s1 ZINC000024193026 556126350 /nfs/dbraw/zinc/12/63/50/556126350.db2.gz QMDVMHJEINRKNY-MRXNPFEDSA-N -1 0 496.397 4.739 50 0 JJAARM CCCc1nnc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000024193029 556126432 /nfs/dbraw/zinc/12/64/32/556126432.db2.gz KFESTHYKQLDTGU-SFHVURJKSA-N -1 0 490.006 4.784 50 0 JJAARM O=C1NC(=Cc2c(=O)n(-c3ccccc3)[n-]c2Cc2cccs2)C(=O)N1Cc1cccc(Cl)c1 ZINC000016534141 556142366 /nfs/dbraw/zinc/14/23/66/556142366.db2.gz MSVVTPCAQGUFQO-HMAPJEAMSA-N -1 0 490.972 4.977 50 0 JJAARM O=C1[N-]C(=O)[C@@]2(Cc3ccccc3N3CCSC[C@@H]32)C(=O)N1c1cc(Cl)ccc1Cl ZINC000025185358 556204309 /nfs/dbraw/zinc/20/43/09/556204309.db2.gz WIDQGEBCSGTLEG-UTKZUKDTSA-N -1 0 462.358 4.581 50 0 JJAARM Cc1ccc(CNC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000017041351 556208089 /nfs/dbraw/zinc/20/80/89/556208089.db2.gz JBOYMPCCFAFPMR-UHFFFAOYSA-N -1 0 454.602 4.634 50 0 JJAARM COc1cccc(-n2c3nc(SCC(=O)Nc4ccc(C)c(C)c4)[n-]c(=O)c3sc2=S)c1 ZINC000017052762 556213712 /nfs/dbraw/zinc/21/37/12/556213712.db2.gz WJMVQEGZQMQCMQ-UHFFFAOYSA-N -1 0 484.628 4.861 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc3c(c2)OCCO3)cc1C ZINC000017207967 556241109 /nfs/dbraw/zinc/24/11/09/556241109.db2.gz JUCRFUXKZNRPSH-UHFFFAOYSA-N -1 0 462.531 4.562 50 0 JJAARM COc1ccc(CCNc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000017208874 556241490 /nfs/dbraw/zinc/24/14/90/556241490.db2.gz WQXPPWBULBFTHC-UHFFFAOYSA-N -1 0 462.575 4.711 50 0 JJAARM COc1cc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(C)ccc2C)cc(OC)c1 ZINC000017249992 556247893 /nfs/dbraw/zinc/24/78/93/556247893.db2.gz QJGQJCSIYRPUDQ-UHFFFAOYSA-N -1 0 464.547 4.808 50 0 JJAARM Cc1nn(C)c2sc(C(=O)Nc3cc(Cl)ccc3[N-]S(=O)(=O)c3ccccc3F)cc12 ZINC000031651519 556401127 /nfs/dbraw/zinc/40/11/27/556401127.db2.gz ZPWZCCPKGDMSMP-UHFFFAOYSA-N -1 0 478.958 4.789 50 0 JJAARM C[C@H](NC(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S)c1ccc2c(c1)OCCCO2 ZINC000032742150 556481861 /nfs/dbraw/zinc/48/18/61/556481861.db2.gz INKROXFEFAAXHK-KRWDZBQOSA-N -1 0 467.591 4.658 50 0 JJAARM O=C([O-])c1ccc(N2CCN(Cc3cccc(F)c3)CC2)c(NC(=O)c2ccc(Cl)cc2)c1 ZINC000032946708 556561646 /nfs/dbraw/zinc/56/16/46/556561646.db2.gz AHXZHQVCTIILQW-UHFFFAOYSA-N -1 0 467.928 4.752 50 0 JJAARM O=C([O-])c1ccc(N2CCN(c3ccc(F)cc3)CC2)c(NC(=O)c2ccc(Br)cc2)c1 ZINC000032947130 556562599 /nfs/dbraw/zinc/56/25/99/556562599.db2.gz OKNUZVKDNJJINL-UHFFFAOYSA-N -1 0 498.352 4.865 50 0 JJAARM Cc1ccc(CNC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)[n-]2)cc1 ZINC000032948433 556563730 /nfs/dbraw/zinc/56/37/30/556563730.db2.gz REKZHUIDTIEYKT-UHFFFAOYSA-N -1 0 468.629 4.942 50 0 JJAARM O=C(CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[n-]1)NCCc1ccc(Cl)cc1 ZINC000032948567 556564265 /nfs/dbraw/zinc/56/42/65/556564265.db2.gz QBINKPAIFSKWMW-UHFFFAOYSA-N -1 0 489.047 4.609 50 0 JJAARM CCc1ccc(NC(=O)c2ccc3c([O-])c(S(=O)(=O)c4ccc(Cl)cc4)c(=O)[nH]c3c2)cc1 ZINC000008589506 562942126 /nfs/dbraw/zinc/94/21/26/562942126.db2.gz XBBFAEQDKNJGIG-UHFFFAOYSA-N -1 0 482.945 4.535 50 0 JJAARM O=C(NCCc1c[nH]c2ccccc12)C1CCC(Cn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000008671990 562949823 /nfs/dbraw/zinc/94/98/23/562949823.db2.gz RAGPHPKLMUQNPU-UHFFFAOYSA-N -1 0 460.603 4.706 50 0 JJAARM O=C([O-])[C@@H](O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc2ccccc2c1 ZINC000008700674 569593614 /nfs/dbraw/zinc/59/36/14/569593614.db2.gz SRRSSKRYMVZCSB-UIOOFZCWSA-N -1 0 453.494 4.865 50 0 JJAARM COc1ccc(NC(=O)c2cc(C)n(C3CC3)c2C)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000008720268 569597972 /nfs/dbraw/zinc/59/79/72/569597972.db2.gz QXVNWLFRBZBEDO-UHFFFAOYSA-N -1 0 457.527 4.641 50 0 JJAARM CC(=O)c1ccc(S(=O)(=O)Nc2ccc(N3CC=C(c4ccccc4C)CC3)c(C(=O)[O-])c2)cc1 ZINC000032962272 569603005 /nfs/dbraw/zinc/60/30/05/569603005.db2.gz GXSFYBMJDNBPBU-UHFFFAOYSA-N -1 0 490.581 4.990 50 0 JJAARM Cc1cccc(N2CCN(c3ccc(C(=O)[O-])cc3NS(=O)(=O)c3cc(C)ccc3C)C[C@@H]2C)c1 ZINC000032971167 569603620 /nfs/dbraw/zinc/60/36/20/569603620.db2.gz DPQXEFHSWWWRSJ-NRFANRHFSA-N -1 0 493.629 4.826 50 0 JJAARM Cc1cccc(N2CCN(c3ccc(C(=O)[O-])cc3NS(=O)(=O)c3cc(C)cc(C)c3)C[C@H]2C)c1 ZINC000032971181 569603624 /nfs/dbraw/zinc/60/36/24/569603624.db2.gz BMZAIUMUFLBKMW-OAQYLSRUSA-N -1 0 493.629 4.826 50 0 JJAARM COC[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1)c1ccccc1 ZINC000062621108 569613480 /nfs/dbraw/zinc/61/34/80/569613480.db2.gz KZWGEWRKWLATDQ-HXUWFJFHSA-N -1 0 479.385 4.912 50 0 JJAARM Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCN(c4cccc(C)c4C)CC3)cc2C(=O)[O-])c1 ZINC000033006970 569615028 /nfs/dbraw/zinc/61/50/28/569615028.db2.gz BHESOZMQTQGZPM-UHFFFAOYSA-N -1 0 493.629 4.746 50 0 JJAARM Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)cc1C(=O)[O-] ZINC000033007360 569615462 /nfs/dbraw/zinc/61/54/62/569615462.db2.gz LFDAHZTYQJQZAD-UHFFFAOYSA-N -1 0 464.587 4.953 50 0 JJAARM CCOC(=O)c1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@H]2c2ccc(CC)cc2)cc1 ZINC000064557900 569618246 /nfs/dbraw/zinc/61/82/46/569618246.db2.gz YAFVAEAAXGTALL-HSZRJFAPSA-N -1 0 491.565 4.757 50 0 JJAARM CCc1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000064558209 569618592 /nfs/dbraw/zinc/61/85/92/569618592.db2.gz XFBVOIQHPCEUGG-HSZRJFAPSA-N -1 0 491.565 4.675 50 0 JJAARM Cc1cc(C)cc(S(=O)(=O)[N-]c2cc3c(cc2Sc2ccc(F)cc2)n(C)c(=O)n3C)c1 ZINC000064580865 569620729 /nfs/dbraw/zinc/62/07/29/569620729.db2.gz IOFXKTSSAHHEJK-UHFFFAOYSA-N -1 0 471.579 4.585 50 0 JJAARM Cn1c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(Sc3ccc(F)cc3)cc2n(C)c1=O ZINC000064580858 569620757 /nfs/dbraw/zinc/62/07/57/569620757.db2.gz WHYDIGJWJPXDPH-UHFFFAOYSA-N -1 0 477.970 4.622 50 0 JJAARM Cn1c2cc([N-]S(=O)(=O)c3ccc(F)cc3F)c(Sc3ccc(Cl)cc3)cc2n(C)c1=O ZINC000064580881 569620767 /nfs/dbraw/zinc/62/07/67/569620767.db2.gz QNUKDNBGOZWLJE-UHFFFAOYSA-N -1 0 495.960 4.761 50 0 JJAARM O=C([O-])c1cc(N2CCN(c3cccc(Cl)c3)CC2)ccc1NC(=O)c1ccccc1F ZINC000064589497 569621048 /nfs/dbraw/zinc/62/10/48/569621048.db2.gz BBTGJNHDDAMSTQ-UHFFFAOYSA-N -1 0 453.901 4.756 50 0 JJAARM O=C([O-])c1cc(N2CCN(c3ccc(F)cc3)CC2)ccc1NC(=O)c1ccc(Br)cc1 ZINC000064590115 569621214 /nfs/dbraw/zinc/62/12/14/569621214.db2.gz XDGNPGMHKWZYHV-UHFFFAOYSA-N -1 0 498.352 4.865 50 0 JJAARM O=C([O-])c1cc(N2CCN(c3ccccc3F)CC2)ccc1NC(=O)c1cccc(Cl)c1 ZINC000064590284 569621307 /nfs/dbraw/zinc/62/13/07/569621307.db2.gz GKBOLNLEEFYFMJ-UHFFFAOYSA-N -1 0 453.901 4.756 50 0 JJAARM COc1ccc(Oc2cc3c(cc2[N-]S(=O)(=O)c2ccc(C(C)C)cc2)n(C)c(=O)n3C)cc1 ZINC000064591917 569622157 /nfs/dbraw/zinc/62/21/57/569622157.db2.gz NEVZMMQHGKGNEL-UHFFFAOYSA-N -1 0 481.574 4.602 50 0 JJAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(C)c(C)c2)[n-]c1=O ZINC000064774538 569626505 /nfs/dbraw/zinc/62/65/05/569626505.db2.gz YKYMHDGZKWVKFY-MRXNPFEDSA-N -1 0 465.579 4.556 50 0 JJAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(SCC(=O)Nc2ccc(C(C)C)cc2)[n-]c1=O ZINC000064774493 569626572 /nfs/dbraw/zinc/62/65/72/569626572.db2.gz LRDCCMYBKPUBQP-UHFFFAOYSA-N -1 0 465.579 4.674 50 0 JJAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(S[C@H](C)C(=O)Nc2cccc(Cl)c2C)[n-]c1=O ZINC000064774521 569626576 /nfs/dbraw/zinc/62/65/76/569626576.db2.gz DMQBMSOXPNSVNO-CQSZACIVSA-N -1 0 485.997 4.901 50 0 JJAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)[n-]c1=O ZINC000064774504 569626598 /nfs/dbraw/zinc/62/65/98/569626598.db2.gz UJUKHGNNCBOXBE-ZDUSSCGKSA-N -1 0 471.970 4.592 50 0 JJAARM Cc1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3NC(=O)C(C)C)c(=O)[n-]2)c1C ZINC000064774625 569626885 /nfs/dbraw/zinc/62/68/85/569626885.db2.gz MEXKGGBVAOKYLI-MRXNPFEDSA-N -1 0 465.579 4.575 50 0 JJAARM CCC(=O)Nc1ccccc1-c1nnc(S[C@H](CC)C(=O)Nc2ccc(F)c(Cl)c2)[n-]c1=O ZINC000064774720 569626995 /nfs/dbraw/zinc/62/69/95/569626995.db2.gz PEEUAGXPAQHKAB-QGZVFWFLSA-N -1 0 489.960 4.895 50 0 JJAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2C)[n-]c1=O ZINC000064774922 569627151 /nfs/dbraw/zinc/62/71/51/569627151.db2.gz GFDDHQQBDDLRPK-UHFFFAOYSA-N -1 0 471.970 4.594 50 0 JJAARM COc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)cc(OC)c1OC ZINC000064796081 569630165 /nfs/dbraw/zinc/63/01/65/569630165.db2.gz GUEFTOMTIMUYCP-HNNXBMFYSA-N -1 0 453.516 4.922 50 0 JJAARM COc1cc(OC)c([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)cc1OC ZINC000064796011 569630172 /nfs/dbraw/zinc/63/01/72/569630172.db2.gz BQFHPYKTQAWLMQ-OAHLLOKOSA-N -1 0 453.516 4.922 50 0 JJAARM COc1cc(OC)c([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)cc1OC ZINC000064797380 569630390 /nfs/dbraw/zinc/63/03/90/569630390.db2.gz GOETZAKCSFQFCL-AWEZNQCLSA-N -1 0 457.479 4.752 50 0 JJAARM Cc1c(Cl)cccc1S(=O)(=O)Nc1cnc(N(CC(C)C)CC(C)C)c(C(=O)[O-])c1 ZINC000064843368 569637924 /nfs/dbraw/zinc/63/79/24/569637924.db2.gz ZFXBHMPBRRSYML-UHFFFAOYSA-N -1 0 453.992 4.661 50 0 JJAARM CC(C)CN(CC(C)C)c1ncc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1C(=O)[O-] ZINC000064843358 569637947 /nfs/dbraw/zinc/63/79/47/569637947.db2.gz JHFZSFYOAZUCSP-UHFFFAOYSA-N -1 0 459.612 4.578 50 0 JJAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCCCC1 ZINC000064862276 569639588 /nfs/dbraw/zinc/63/95/88/569639588.db2.gz XUDLWGMEFHUOJE-UHFFFAOYSA-N -1 0 463.987 4.554 50 0 JJAARM Cc1c(S(=O)(=O)[N-]c2ncccc2C)cc(-c2nc(-c3ccc(Cl)cc3)cs2)n1C ZINC000065008736 569647939 /nfs/dbraw/zinc/64/79/39/569647939.db2.gz VOTABHIVIJTXHX-UHFFFAOYSA-N -1 0 458.996 5.282 50 0 JJAARM CC[C@@H](C)NC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000065059744 569654952 /nfs/dbraw/zinc/65/49/52/569654952.db2.gz PBIGGLKDHORUKT-CYBMUJFWSA-N -1 0 465.984 4.918 50 0 JJAARM COc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)NC2=S)cc1 ZINC000034805728 569661210 /nfs/dbraw/zinc/66/12/10/569661210.db2.gz DEKKZDJSWAVJPX-HMAPJEAMSA-N -1 0 460.511 4.646 50 0 JJAARM COc1cc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccc(Cl)cc4)no3)cs2)cc(OC)c1 ZINC000065097965 569661626 /nfs/dbraw/zinc/66/16/26/569661626.db2.gz NTPHVIKCBALHBP-UHFFFAOYSA-N -1 0 477.951 4.937 50 0 JJAARM CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)c1 ZINC000065116364 569666325 /nfs/dbraw/zinc/66/63/25/569666325.db2.gz CNAPPQQJVOGWIO-UHFFFAOYSA-N -1 0 463.943 4.634 50 0 JJAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccccc3C)c2)sc1C(=O)N1CCCCC1 ZINC000065117114 569667041 /nfs/dbraw/zinc/66/70/41/569667041.db2.gz GRGQQHJCINGFRQ-UHFFFAOYSA-N -1 0 461.634 4.915 50 0 JJAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cn2C)sc1C(=O)N1CCCCC1 ZINC000065137507 569668376 /nfs/dbraw/zinc/66/83/76/569668376.db2.gz YCHSPYHTGHWBNS-UHFFFAOYSA-N -1 0 472.636 4.501 50 0 JJAARM COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(C(F)(F)F)c4)c32)cc1OC ZINC000066087902 569676797 /nfs/dbraw/zinc/67/67/97/569676797.db2.gz GMNJZKFEWXECIT-OAHLLOKOSA-N -1 0 460.408 4.686 50 0 JJAARM CC[C@H](Sc1nnc(-c2ccccc2NC(C)=O)c(=O)[n-]1)C(=O)Nc1c(C)cc(C)cc1C ZINC000035377888 569685320 /nfs/dbraw/zinc/68/53/20/569685320.db2.gz SEGJPWXZXYAVDO-IBGZPJMESA-N -1 0 465.579 4.637 50 0 JJAARM CCC(=O)Nc1ccccc1-c1nnc(S[C@@H](CC)C(=O)Nc2ccc(C)cc2C)[n-]c1=O ZINC000035378011 569685708 /nfs/dbraw/zinc/68/57/08/569685708.db2.gz OLXFXQMDXBQBNH-IBGZPJMESA-N -1 0 465.579 4.719 50 0 JJAARM CC1CCN(c2ncc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2C(=O)[O-])CC1 ZINC000035397329 569688081 /nfs/dbraw/zinc/68/80/81/569688081.db2.gz SPEYKMHFWWQZPH-UHFFFAOYSA-N -1 0 457.596 4.865 50 0 JJAARM CCOc1ccc2nc(Cl)c([C@H]3CC(c4ccc(F)cc4)=NN3C(=O)CCC(=O)[O-])cc2c1 ZINC000069375119 569692816 /nfs/dbraw/zinc/69/28/16/569692816.db2.gz DUOVNXSNSORCNV-OAQYLSRUSA-N -1 0 469.900 4.969 50 0 JJAARM COCC(=O)Nc1ccc(N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1C(=O)[O-] ZINC000035422745 569692810 /nfs/dbraw/zinc/69/28/10/569692810.db2.gz KXICMIRQJQZBHW-SANMLTNESA-N -1 0 493.991 4.535 50 0 JJAARM CCC(=O)Nc1ccc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1C(=O)[O-] ZINC000035422751 569692858 /nfs/dbraw/zinc/69/28/58/569692858.db2.gz FGJFJTWIZTWPPM-UHFFFAOYSA-N -1 0 479.527 4.923 50 0 JJAARM CSCC[C@@H](NC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1)C(=O)[O-] ZINC000080351000 569707838 /nfs/dbraw/zinc/70/78/38/569707838.db2.gz SFERDHJMXDJUGH-OAQYLSRUSA-N -1 0 486.037 4.647 50 0 JJAARM O=C(CSC1=NC(=O)C(Cc2ccc(Cl)c(Cl)c2)C([O-])=N1)Nc1nc2ccccc2s1 ZINC000085387943 569709776 /nfs/dbraw/zinc/70/97/76/569709776.db2.gz XMKLPVULDAWXIR-UHFFFAOYSA-N -1 0 493.397 4.714 50 0 JJAARM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccc(Cl)s1 ZINC000089774661 569719639 /nfs/dbraw/zinc/71/96/39/569719639.db2.gz PIZRFWJLBJQXGL-UHFFFAOYSA-N -1 0 463.389 4.657 50 0 JJAARM Cc1cccc2cc([C@H]3CC(c4cccc(Br)c4)=NN3C(=O)CCC(=O)[O-])c(=O)[nH]c12 ZINC000089689019 569719739 /nfs/dbraw/zinc/71/97/39/569719739.db2.gz YJLGTZUUOVXYCU-LJQANCHMSA-N -1 0 482.334 4.554 50 0 JJAARM COC(=O)C[C@@H](c1ccc(OC)cc1OC)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096115478 569734533 /nfs/dbraw/zinc/73/45/33/569734533.db2.gz CQBQVWJYIDYQBP-SFHVURJKSA-N -1 0 476.481 4.583 50 0 biogenic JJAARM COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H](C(=O)[O-])[C@@H]2C(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000035982624 569742867 /nfs/dbraw/zinc/74/28/67/569742867.db2.gz ITWFEWMRSGKKQG-CNNODRBYSA-N -1 0 481.595 4.514 50 0 JJAARM O=C(Nc1cccc(O)c1)C(=O)C(=C([O-])c1ccc(Cl)c(Cl)c1)[C@@H]1OC(=O)c2ccccc21 ZINC000100721731 569767806 /nfs/dbraw/zinc/76/78/06/569767806.db2.gz ZPGSJKQHAAINEI-SIKLNZKXSA-N -1 0 484.291 4.617 50 0 JJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@]2(CC(=O)N3)c3cc(C(C)C)ccc3N(C)C2=O)cc1 ZINC000036353300 569771449 /nfs/dbraw/zinc/77/14/49/569771449.db2.gz UMBHGIOCPSECHG-SANMLTNESA-N -1 0 476.554 4.850 50 0 JJAARM O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCC(Cc3ccccc3)CC2)c2ccc(Br)cc21 ZINC000036357696 569771976 /nfs/dbraw/zinc/77/19/76/569771976.db2.gz HSFWXHAQYCVNPY-QHCPKHFHSA-N -1 0 485.378 4.569 50 0 JJAARM Cc1cccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3cccc(Br)c3)C2=O)c1 ZINC000101013461 569779196 /nfs/dbraw/zinc/77/91/96/569779196.db2.gz IDGHCYMBHQVNLW-VSKRKVRLSA-N -1 0 463.331 4.809 50 0 JJAARM CCC(NCCC(c1ccccc1)c1ccccc1)=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000101061258 569780798 /nfs/dbraw/zinc/78/07/98/569780798.db2.gz HDYCTHYOSPQWPJ-OCOZRVBESA-N -1 0 459.590 4.873 50 0 JJAARM O=C(Nc1ccccc1[N-]S(=O)(=O)c1cccs1)c1cc(Br)ccc1F ZINC000037133241 569781294 /nfs/dbraw/zinc/78/12/94/569781294.db2.gz SARWQHPTSDIWDI-UHFFFAOYSA-N -1 0 455.330 4.703 50 0 JJAARM Cn1c(CCc2ccccc2[N-]S(=O)(=O)c2ccc(Br)s2)nc2ccccc21 ZINC000101090209 569782188 /nfs/dbraw/zinc/78/21/88/569782188.db2.gz YOWVWCJCYPAPAH-UHFFFAOYSA-N -1 0 476.421 4.983 50 0 JJAARM COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1 ZINC000101151109 569784701 /nfs/dbraw/zinc/78/47/01/569784701.db2.gz RMYQZKPQVRPYLQ-SMIHKQSGSA-N -1 0 478.932 4.717 50 0 JJAARM COc1cc([C@H]2CC(c3c([O-])n(C)c(=S)n(C)c3=O)=Nc3ccccc3S2)cc(OC)c1OC ZINC000101495092 569799990 /nfs/dbraw/zinc/79/99/90/569799990.db2.gz JAJNUMQAZHDWIN-LJQANCHMSA-N -1 0 499.614 4.543 50 0 JJAARM Cc1ccccc1-n1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc4c(c3)OCO4)C2)c1=O ZINC000101766784 569804658 /nfs/dbraw/zinc/80/46/58/569804658.db2.gz DNCXBTSBGAYMFU-HSZRJFAPSA-N -1 0 499.548 4.626 50 0 JJAARM O=c1[nH]c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(O)cc3)C2)c(=O)n1-c1cccc(Cl)c1 ZINC000101766872 569805081 /nfs/dbraw/zinc/80/50/81/569805081.db2.gz UMSIGVHAPCUAOE-NRFANRHFSA-N -1 0 491.956 4.948 50 0 JJAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2[C@H](c2ccc(Br)cc2)C1 ZINC000101836686 569805985 /nfs/dbraw/zinc/80/59/85/569805985.db2.gz YYTPOCGKNAFIPM-KRWDZBQOSA-N -1 0 473.714 4.535 50 0 JJAARM Cc1ccc(C2=Nc3nc([N-]S(=O)(=O)c4ccccc4)nn3[C@H](c3ccc(F)cc3)C2)cc1 ZINC000101836494 569806046 /nfs/dbraw/zinc/80/60/46/569806046.db2.gz AQPHBYXUFXWCLH-QFIPXVFZSA-N -1 0 461.522 4.582 50 0 JJAARM Cc1oc(-c2ccc(OC(C)C)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2 ZINC000102377536 569812617 /nfs/dbraw/zinc/81/26/17/569812617.db2.gz NSGYBWKDKFIBGI-RTWAWAEBSA-N -1 0 479.924 4.584 50 0 JJAARM Cc1oc(-c2ccc(OC(C)C)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2 ZINC000102377526 569812669 /nfs/dbraw/zinc/81/26/69/569812669.db2.gz NSGYBWKDKFIBGI-LEWJYISDSA-N -1 0 479.924 4.584 50 0 JJAARM COc1ccc(NC(=O)CSc2nc([O-])c(Cc3ccccc3)c(=O)n2-c2ccccc2C)cc1 ZINC000102534885 569814098 /nfs/dbraw/zinc/81/40/98/569814098.db2.gz BNCCTOQXZVGKGH-UHFFFAOYSA-N -1 0 487.581 4.577 50 0 JJAARM CCN(Cc1cccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(CC)c3=O)c1)C(=O)OC(C)(C)C ZINC000103148654 569833371 /nfs/dbraw/zinc/83/33/71/569833371.db2.gz RHNBYSHHYNRITA-UHFFFAOYSA-N -1 0 482.606 4.714 50 0 JJAARM [O-]C(c1cccs1)=C1[C@@H](c2cccc(Oc3ccccc3)c2)NC(=S)N[C@]1(O)C(F)(F)F ZINC000103159695 569833493 /nfs/dbraw/zinc/83/34/93/569833493.db2.gz IXWCHYZBZNMLHS-WAOWUJCRSA-N -1 0 478.517 4.809 50 0 JJAARM CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1cc(C)c(Cl)cc1OC ZINC000045900685 569840226 /nfs/dbraw/zinc/84/02/26/569840226.db2.gz NSGRQURPDDXIHN-UHFFFAOYSA-N -1 0 488.009 4.649 50 0 JJAARM O=C([O-])c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4Cl)[C@@H]3C2=O)cc1 ZINC000226934430 570039422 /nfs/dbraw/zinc/03/94/22/570039422.db2.gz KJZMNYXRTYALDE-PCCBWWKXSA-N -1 0 483.307 4.743 50 0 JJAARM CCCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4C(=O)[O-])[C@@H]3C2=O)cc1 ZINC000230057513 570044107 /nfs/dbraw/zinc/04/41/07/570044107.db2.gz OPXAHFXFFJHGIH-ISJGIBHGSA-N -1 0 486.524 4.615 50 0 JJAARM CCCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c(Cl)cc12 ZINC000238924232 570048051 /nfs/dbraw/zinc/04/80/51/570048051.db2.gz RERZBPOOKQSLED-JYJNAYRXSA-N -1 0 463.958 4.564 50 0 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JJAARM Cc1ccc(CNC(=O)CSc2nc(-c3ccccc3)[n-]c2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012252673 524509815 /nfs/dbraw/zinc/50/98/15/524509815.db2.gz FRWREXAIFDCIBP-UHFFFAOYSA-N -1 0 491.638 4.935 50 0 JJAARM Cc1cccc(N2C(=O)[N-]C(=O)[C@@](CCc3ccccn3)(Cc3ccc(C(C)C)cc3)C2=O)c1 ZINC000016293305 524533960 /nfs/dbraw/zinc/53/39/60/524533960.db2.gz RGGHOZGNZKAZOC-MUUNZHRXSA-N -1 0 455.558 4.958 50 0 JJAARM Cc1cccc(N2CCN(c3ccc(NS(=O)(=O)c4cc(F)ccc4C)cc3C(=O)[O-])C[C@@H]2C)c1 ZINC000033253545 524559674 /nfs/dbraw/zinc/55/96/74/524559674.db2.gz DPGXGQIJXGPNSU-IBGZPJMESA-N -1 0 497.592 4.657 50 0 JJAARM Cc1cccc(N2CCN(c3cc(C(=O)[O-])c4cc(NC(=O)C5CCC5)ccc4n3)CC2)c1C ZINC000033260874 524561001 /nfs/dbraw/zinc/56/10/01/524561001.db2.gz IOWMATPADRWHGQ-UHFFFAOYSA-N -1 0 458.562 4.615 50 0 JJAARM COc1ccccc1N1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2C(=O)[O-])CC1 ZINC000033078540 524564053 /nfs/dbraw/zinc/56/40/53/524564053.db2.gz YNJADHOOWCIJRB-UHFFFAOYSA-N -1 0 465.937 4.626 50 0 JJAARM COc1ccccc1NC(=O)CSc1nc(-c2ccccc2)[n-]c1S(=O)(=O)c1ccc(C)cc1 ZINC000012252649 524596492 /nfs/dbraw/zinc/59/64/92/524596492.db2.gz BXJDCDMIGVLPRH-UHFFFAOYSA-N -1 0 493.610 4.957 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2cc(C(F)(F)F)on2)c(OC)c1 ZINC000033299320 524683272 /nfs/dbraw/zinc/68/32/72/524683272.db2.gz SJHSXGOXSZEOCH-UHFFFAOYSA-N -1 0 462.471 4.857 50 0 JJAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccccc2-c2nc(-c3ccc(C)cc3)no2)c1 ZINC000033175616 524870891 /nfs/dbraw/zinc/87/08/91/524870891.db2.gz RPLCCMXRJCTMRD-UHFFFAOYSA-N -1 0 451.504 4.530 50 0 JJAARM Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(S(=O)(=O)[N-]c4nccs4)cc2)C3=O)cc1 ZINC000001099265 525477287 /nfs/dbraw/zinc/47/72/87/525477287.db2.gz ZEEPBUPXVCDQMC-UHFFFAOYSA-N -1 0 491.550 4.845 50 0 JJAARM Cc1ccc(Sc2cc3c(cc2[N-]S(=O)(=O)c2ccc(C)c(F)c2)n(C)c(=O)n3C)cc1 ZINC000045941190 525671315 /nfs/dbraw/zinc/67/13/15/525671315.db2.gz GXYMXPUMDBJGNN-UHFFFAOYSA-N -1 0 471.579 4.585 50 0 JJAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2oc1C(=O)N1CCCCCC1 ZINC000065010981 525942456 /nfs/dbraw/zinc/94/24/56/525942456.db2.gz HBBFJPDISUTTGP-UHFFFAOYSA-N -1 0 484.574 4.904 50 0 JJAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3c(C)cc(C)cc3C)c2oc1C(=O)N1CCOCC1 ZINC000065010820 525942955 /nfs/dbraw/zinc/94/29/55/525942955.db2.gz GLVIBXVPGPOZJF-UHFFFAOYSA-N -1 0 470.591 4.557 50 0 JJAARM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)c2oc1C(=O)N1CCCCC1 ZINC000065010680 525943123 /nfs/dbraw/zinc/94/31/23/525943123.db2.gz JLOPJCAUVVOEJN-UHFFFAOYSA-N -1 0 484.574 4.556 50 0 JJAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000020478362 526321194 /nfs/dbraw/zinc/32/11/94/526321194.db2.gz YTPZZZULCXTICZ-CVEARBPZSA-N -1 0 471.362 4.624 50 0 JJAARM [O-]c1c([C@H](c2cccc(F)c2)N2CCN(c3ccccc3)CC2)sc2nc(-c3ccco3)nn12 ZINC000022852179 526333292 /nfs/dbraw/zinc/33/32/92/526333292.db2.gz HMRRTKIOXVLBTE-NRFANRHFSA-N -1 0 475.549 4.807 50 0 JJAARM O=C([O-])c1cc(-c2ccc(I)cc2)nc2ccc(Br)cc21 ZINC000002597408 526342647 /nfs/dbraw/zinc/34/26/47/526342647.db2.gz VNMAGEIUPNSPSY-UHFFFAOYSA-N -1 0 454.061 4.967 50 0 JJAARM O=C([O-])c1cc(N2CCN(c3ccccc3)CC2)nc2ccc(NC(=O)c3ccc(F)cc3)cc21 ZINC000033260632 526349238 /nfs/dbraw/zinc/34/92/38/526349238.db2.gz SQNDFHVQMAOONV-UHFFFAOYSA-N -1 0 470.504 4.651 50 0 JJAARM O=C([O-])c1cc(NC(=O)c2ccc(Br)cc2)ccc1N1CCN(c2ccccc2)CC1 ZINC000033078563 526350145 /nfs/dbraw/zinc/35/01/45/526350145.db2.gz ZMGGWTPCJZRGNX-UHFFFAOYSA-N -1 0 480.362 4.726 50 0 JJAARM O=C([O-])c1cc(NC(=O)c2cccc(Cl)c2)ccc1N1CCN(c2ccc(F)cc2)CC1 ZINC000033078631 526351245 /nfs/dbraw/zinc/35/12/45/526351245.db2.gz PYFQBIHLSCOCJQ-UHFFFAOYSA-N -1 0 453.901 4.756 50 0 JJAARM Cc1noc(/C=C/c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3C)s2)c1NC(=O)C1CC1 ZINC000033306661 526460459 /nfs/dbraw/zinc/46/04/59/526460459.db2.gz SEEJXLNXJHLJHY-RMKNXTFCSA-N -1 0 461.540 4.812 50 0 JJAARM Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H](Cc4ccc(Cl)cc4)C(=O)[O-])c(C)c3cc2c1C ZINC000002155626 526780595 /nfs/dbraw/zinc/78/05/95/526780595.db2.gz FCVGSSQJVBWFDL-NRFANRHFSA-N -1 0 481.932 4.863 50 0 biogenic JJAARM O=C([N-]N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccc(-c2ccccc2Cl)o1 ZINC000008896268 526842438 /nfs/dbraw/zinc/84/24/38/526842438.db2.gz ORWQQSVSZIMKJQ-UHFFFAOYSA-N -1 0 471.900 4.740 50 0 JJAARM Cc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000023157790 527205360 /nfs/dbraw/zinc/20/53/60/527205360.db2.gz BTBPTKJDMAUCOI-LJQANCHMSA-N -1 0 457.962 4.509 50 0 JJAARM Cc1nc2sc([C@H](c3ccccc3Cl)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000022627250 527207080 /nfs/dbraw/zinc/20/70/80/527207080.db2.gz ORYGASSMAWFKMA-IBGZPJMESA-N -1 0 457.962 4.509 50 0 JJAARM O=C([N-]S(=O)(=O)Oc1ccc(Cl)cc1Cl)Nc1ccc(OC(F)(F)Cl)cc1 ZINC000008867257 527238928 /nfs/dbraw/zinc/23/89/28/527238928.db2.gz IIUZDTCIAMSSAJ-UHFFFAOYSA-N -1 0 461.657 4.607 50 0 JJAARM O=S(=O)([N-]c1nc(SCc2ccc(Cl)cc2)n[nH]1)c1ccc(-c2ccccn2)s1 ZINC000008637241 527257848 /nfs/dbraw/zinc/25/78/48/527257848.db2.gz PZDDUDZNEJPDLV-UHFFFAOYSA-N -1 0 463.997 4.675 50 0 JJAARM O=C(Nc1ccc2c(c1)OCCO2)c1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000012525857 527287640 /nfs/dbraw/zinc/28/76/40/527287640.db2.gz FWXMOLRAOHLFOU-UHFFFAOYSA-N -1 0 479.341 4.818 50 0 JJAARM O=C([O-])/C=C/c1cc(Br)c(Br)c(Br)c1Br ZINC000016052815 527544786 /nfs/dbraw/zinc/54/47/86/527544786.db2.gz SVJQCVOKYJWUBC-OWOJBTEDSA-N -1 0 463.745 4.834 50 0 in-vitro JJAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1ncnc2scc(-c3ccccc3)c21 ZINC000013416573 527648340 /nfs/dbraw/zinc/64/83/40/527648340.db2.gz UBFBRPMMTCJFDT-HXUWFJFHSA-N -1 0 488.594 4.744 50 0 JJAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2)c1C ZINC000000657557 553737179 /nfs/dbraw/zinc/73/71/79/553737179.db2.gz WJVXJZYMSJLMDD-ZDUSSCGKSA-N -1 0 484.361 4.805 50 0 JJAARM COC(=O)c1c([N-]S(=O)(=O)c2ccc(Br)cc2)sc2c1CCCCCC2 ZINC000000673104 553746500 /nfs/dbraw/zinc/74/65/00/553746500.db2.gz DUVPHVZAPWYYMG-UHFFFAOYSA-N -1 0 458.399 4.757 50 0 JJAARM COc1ccc(C(=O)Nc2cc(C)c([O-])c(S(=O)(=O)c3ccc(OC)cc3)c2C(C)C)cc1 ZINC000000719276 553771258 /nfs/dbraw/zinc/77/12/58/553771258.db2.gz KQEKRXZSSBBNBY-UHFFFAOYSA-N -1 0 469.559 4.926 50 0 JJAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(Br)cc1 ZINC000000854385 553799413 /nfs/dbraw/zinc/79/94/13/553799413.db2.gz PRFNAXHRPXVAOF-QGZVFWFLSA-N -1 0 480.156 4.754 50 0 JJAARM CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000955755 553883446 /nfs/dbraw/zinc/88/34/46/553883446.db2.gz WXNRIVNQWWJUBN-UHFFFAOYSA-N -1 0 497.964 4.708 50 0 JJAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1Br ZINC000000983161 553892085 /nfs/dbraw/zinc/89/20/85/553892085.db2.gz PXTCPPJEOKZHFP-HNNXBMFYSA-N -1 0 489.391 4.750 50 0 JJAARM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1 ZINC000000994498 553897006 /nfs/dbraw/zinc/89/70/06/553897006.db2.gz XJSYSXHTWIZCMQ-INIZCTEOSA-N -1 0 496.976 4.798 50 0 aggregator JJAARM CCOc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000001167407 553920790 /nfs/dbraw/zinc/92/07/90/553920790.db2.gz DHSZNDYFHBIMEZ-UHFFFAOYSA-N -1 0 477.546 4.531 50 0 JJAARM CSc1nnc2c(n1)O[C@H](c1c(C)[n-]n(-c3ccccc3)c1=O)Nc1ccc(Br)cc1-2 ZINC000001168882 553921934 /nfs/dbraw/zinc/92/19/34/553921934.db2.gz AWFAFBONCFUMSV-GOSISDBHSA-N -1 0 497.378 4.726 50 0 JJAARM O=P([N-]S(=O)(=O)c1ccc(Br)cc1)(Oc1ccccc1)Oc1ccccc1 ZINC000002029641 554009373 /nfs/dbraw/zinc/00/93/73/554009373.db2.gz KGSPEHUPZVHQES-UHFFFAOYSA-N -1 0 468.265 4.994 50 0 JJAARM Cc1c(OCC(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000002120859 554055918 /nfs/dbraw/zinc/05/59/18/554055918.db2.gz JJSVREANVSQQRU-JOCHJYFZSA-N -1 0 491.927 4.613 50 0 biogenic JJAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCCC(=O)[O-])occ3-c1ccc(Cl)cc1 ZINC000002123660 554057355 /nfs/dbraw/zinc/05/73/55/554057355.db2.gz UMFVHSLUQJTHNL-UHFFFAOYSA-N -1 0 453.878 4.692 50 0 biogenic JJAARM CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)oc(C)c3-c1ccccc1)C(=O)[O-] ZINC000002123662 554057446 /nfs/dbraw/zinc/05/74/46/554057446.db2.gz XJIKKARQPRAJHY-PWECECGKSA-N -1 0 461.514 4.981 50 0 biogenic JJAARM Cc1c(O[C@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000002152478 554070784 /nfs/dbraw/zinc/07/07/84/554070784.db2.gz WSHNOFKKEWNFQJ-NLFFAJNJSA-N -1 0 499.563 4.580 50 0 biogenic JJAARM CSCC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(F)cc1)C(=O)[O-] ZINC000002160542 554074116 /nfs/dbraw/zinc/07/41/16/554074116.db2.gz OBOHALCJGFOOMS-FQEVSTJZSA-N -1 0 483.517 4.519 50 0 biogenic JJAARM COC(=O)c1c([N-]C(NC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)sc2c1CCC2 ZINC000002209225 554094086 /nfs/dbraw/zinc/09/40/86/554094086.db2.gz VTNWPASIDJOEIR-UHFFFAOYSA-N -1 0 466.403 4.686 50 0 JJAARM COc1ccc(CNc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000002229296 554104567 /nfs/dbraw/zinc/10/45/67/554104567.db2.gz FEUKRPLHGPJZTI-UHFFFAOYSA-N -1 0 454.939 4.705 50 0 JJAARM COc1cc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(Cl)c2)cc(OC)c1 ZINC000002235044 554107198 /nfs/dbraw/zinc/10/71/98/554107198.db2.gz XYEWCSCLZIUGTQ-UHFFFAOYSA-N -1 0 470.938 4.845 50 0 JJAARM COc1ccc(Br)cc1C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002243703 554110505 /nfs/dbraw/zinc/11/05/05/554110505.db2.gz QIIKXJDEJNMZBK-JOCHJYFZSA-N -1 0 496.357 4.992 50 0 JJAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(C)c2C)cc1 ZINC000002274583 554128586 /nfs/dbraw/zinc/12/85/86/554128586.db2.gz RCYWAPMDCMMGFP-UHFFFAOYSA-N -1 0 461.547 4.749 50 0 JJAARM CCc1ccc(-n2c3nc(SCC(=O)NC4CCCCC4)[n-]c(=O)c3sc2=S)cc1 ZINC000002452417 554219221 /nfs/dbraw/zinc/21/92/21/554219221.db2.gz ZUKVMBZUVXLRNQ-UHFFFAOYSA-N -1 0 460.650 4.608 50 0 JJAARM Cc1ccc(-n2c3nc(SCC(=O)NC4CCCCC4)[n-]c(=O)c3sc2=S)c(C)c1 ZINC000002452451 554219547 /nfs/dbraw/zinc/21/95/47/554219547.db2.gz MJWLFPDMRVHUEU-UHFFFAOYSA-N -1 0 460.650 4.663 50 0 JJAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2)n1 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/nfs/dbraw/zinc/14/23/94/556142394.db2.gz HPVHAWLTBVQAFE-HAHDFKILSA-N -1 0 498.514 4.794 50 0 JJAARM Cc1cccc(CN2C(=O)NC(=Cc3c(=O)n(-c4ccccc4)[n-]c3-c3ccccc3)C2=O)c1 ZINC000016534133 556142486 /nfs/dbraw/zinc/14/24/86/556142486.db2.gz KTGVPHKMTYWXDB-KQWNVCNZSA-N -1 0 450.498 4.646 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)Cc3ccc(C)cc3)ccc2Cl)cc1 ZINC000024635703 556143225 /nfs/dbraw/zinc/14/32/25/556143225.db2.gz GXXHCCRMPSJCLR-UHFFFAOYSA-N -1 0 458.967 4.730 50 0 JJAARM CCOc1cc2c(cc1CNC(=O)CCCCCn1c(=O)c3ccccc3[n-]c1=S)O[C@H](C)C2 ZINC000024646679 556143599 /nfs/dbraw/zinc/14/35/99/556143599.db2.gz JZRJGMDTSQVESC-QGZVFWFLSA-N -1 0 481.618 4.658 50 0 JJAARM CCC(C)(C)C1CCC(NC(=O)CSc2nnc(-c3cccs3)n2CCC(=O)[O-])CC1 ZINC000012978175 556170951 /nfs/dbraw/zinc/17/09/51/556170951.db2.gz PWRBWQRYSKHKJJ-UHFFFAOYSA-N -1 0 464.657 4.685 50 0 JJAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000017010237 556199686 /nfs/dbraw/zinc/19/96/86/556199686.db2.gz DRWCQAUIQXYCLK-UHFFFAOYSA-N -1 0 450.560 4.706 50 0 JJAARM Cc1ccc(S(=O)(=O)N2CCCc3cc([N-]S(=O)(=O)c4ccc(Cl)s4)ccc32)cc1 ZINC000017050767 556211789 /nfs/dbraw/zinc/21/17/89/556211789.db2.gz DJQWAFHOQWLSMD-UHFFFAOYSA-N -1 0 483.036 4.652 50 0 JJAARM Cc1cccc(C)c1NC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[n-]1 ZINC000017135772 556223201 /nfs/dbraw/zinc/22/32/01/556223201.db2.gz SLECXJGZZKNUEJ-UHFFFAOYSA-N -1 0 454.602 4.852 50 0 JJAARM CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1 ZINC000025755826 556232255 /nfs/dbraw/zinc/23/22/55/556232255.db2.gz CZERXCWSCYVPFH-UHFFFAOYSA-N -1 0 457.577 4.786 50 0 JJAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(-c2ccc(N3CCC(C)CC3)nn2)cc1 ZINC000017246082 556246299 /nfs/dbraw/zinc/24/62/99/556246299.db2.gz BBIYSHNILSHIGA-UHFFFAOYSA-N -1 0 472.998 4.843 50 0 JJAARM COc1ccc(OC)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000017246485 556246584 /nfs/dbraw/zinc/24/65/84/556246584.db2.gz UZCRPJBIKYIBEN-UHFFFAOYSA-N -1 0 464.547 4.808 50 0 JJAARM COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(C)ccc2C)c(OC)c1 ZINC000017246545 556246850 /nfs/dbraw/zinc/24/68/50/556246850.db2.gz BMYRVZUYZUDQQI-UHFFFAOYSA-N -1 0 464.547 4.808 50 0 JJAARM CC(C)Cn1c(=O)c2ccc(C(=O)[O-])cc2nc1SCC(=O)Nc1ccccc1C(F)(F)F ZINC000013048724 556249862 /nfs/dbraw/zinc/24/98/62/556249862.db2.gz DIWZHUIIINYBKA-UHFFFAOYSA-N -1 0 479.480 4.500 50 0 JJAARM COc1ccc(C(=O)N(C)Cc2ccccc2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000017334500 556259013 /nfs/dbraw/zinc/25/90/13/556259013.db2.gz ZMFABJNTXAARIP-UHFFFAOYSA-N -1 0 489.391 4.531 50 0 JJAARM CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000027016768 556268898 /nfs/dbraw/zinc/26/88/98/556268898.db2.gz NZWAYKWADVSNND-UHFFFAOYSA-N -1 0 458.561 4.595 50 0 JJAARM COc1ccc(-n2c(=O)c(Cc3ccccc3)c([O-])nc2SCC(=O)Nc2ccccc2C)cc1 ZINC000017945615 556272200 /nfs/dbraw/zinc/27/22/00/556272200.db2.gz HYSFQIFVKUCJHY-UHFFFAOYSA-N -1 0 487.581 4.577 50 0 JJAARM Cc1c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)oc2cc(C)cc(C)c12 ZINC000027579459 556299970 /nfs/dbraw/zinc/29/99/70/556299970.db2.gz BZUSBBZFFOASKP-UHFFFAOYSA-N -1 0 450.520 4.510 50 0 JJAARM Cn1c2cc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)c(Sc3ccccc3)cc2n(C)c1=O ZINC000028049154 556313856 /nfs/dbraw/zinc/31/38/56/556313856.db2.gz DKBSRBUTWCOFJB-UHFFFAOYSA-N -1 0 477.970 4.622 50 0 JJAARM CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2NC(=O)c2ccc(Cl)cc2)c1 ZINC000030580888 556367403 /nfs/dbraw/zinc/36/74/03/556367403.db2.gz JAUCREKYPCQSFV-UHFFFAOYSA-N -1 0 457.939 4.660 50 0 JJAARM O=C([O-])[C@@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)N1CCN(Cc2cccs2)CC1 ZINC000032101104 556416727 /nfs/dbraw/zinc/41/67/27/556416727.db2.gz VXQSREYWOPECFX-RUZDIDTESA-N -1 0 461.587 4.752 50 0 JJAARM CC(=O)c1cccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccc(C)cc3)c(=O)[n-]2)c1 ZINC000032948642 556564596 /nfs/dbraw/zinc/56/45/96/556564596.db2.gz VQLYYWZTASGFFS-UHFFFAOYSA-N -1 0 482.612 4.747 50 0 JJAARM CC(C)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000032961906 556579718 /nfs/dbraw/zinc/57/97/18/556579718.db2.gz KMTVOKFKJSUBLO-UHFFFAOYSA-N -1 0 497.592 4.775 50 0 JJAARM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccco4)c3[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000008595794 562944165 /nfs/dbraw/zinc/94/41/65/562944165.db2.gz GEOPKSGLHGUJHX-DEOSSOPVSA-N -1 0 473.485 4.613 50 0 JJAARM O=C1[N-]C(=O)[C@@]2(Cc3ccccc3N3CCN(c4ccc(Cl)cc4)C[C@@H]32)C(=O)N1c1ccccc1 ZINC000008695481 569593549 /nfs/dbraw/zinc/59/35/49/569593549.db2.gz QCIYVZIAYZGTKY-KCWPFWIISA-N -1 0 486.959 4.701 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cccc(-n4cccc4)c3)ccc2OC)cc1 ZINC000008710346 569595692 /nfs/dbraw/zinc/59/56/92/569595692.db2.gz RDSXDIBHDSNSCB-UHFFFAOYSA-N -1 0 477.542 4.548 50 0 JJAARM CCc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4cccc(C)c4)[C@@H](C)C3)c(C(=O)[O-])c2)cc1 ZINC000032962122 569602903 /nfs/dbraw/zinc/60/29/03/569602903.db2.gz LXQNPSSEJFFBGB-FQEVSTJZSA-N -1 0 493.629 4.772 50 0 JJAARM CCOc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)Nc3ccc(F)cc3Cl)s2)cc1 ZINC000032999081 569613421 /nfs/dbraw/zinc/61/34/21/569613421.db2.gz KRIPALFZUSSNLY-UHFFFAOYSA-N -1 0 468.959 4.921 50 0 JJAARM CCc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4cccc(C)c4C)CC3)cc2C(=O)[O-])cc1 ZINC000033007019 569615220 /nfs/dbraw/zinc/61/52/20/569615220.db2.gz VOZYRQHAUFIQPK-UHFFFAOYSA-N -1 0 493.629 4.691 50 0 JJAARM O=C([O-])[C@H](CCC(=O)OC1CCCCC1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000064219224 569616510 /nfs/dbraw/zinc/61/65/10/569616510.db2.gz ODIPEUXZAYGDMU-QHCPKHFHSA-N -1 0 451.519 4.634 50 0 JJAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(OC)c(-c3noc(C4CCCCC4)n3)c2)c1 ZINC000033013485 569617642 /nfs/dbraw/zinc/61/76/42/569617642.db2.gz LISSLGQFHKDVEL-UHFFFAOYSA-N -1 0 473.551 4.611 50 0 JJAARM O=C([O-])c1cc(N2CCN(c3ccccc3Cl)CC2)ccc1NC(=O)c1ccccc1F ZINC000064589516 569620942 /nfs/dbraw/zinc/62/09/42/569620942.db2.gz IVBJYMVPBYYFLN-UHFFFAOYSA-N -1 0 453.901 4.756 50 0 JJAARM COc1ccc(C(=O)Nc2ccc(N3CCN(c4cccc(Cl)c4)CC3)cc2C(=O)[O-])cc1 ZINC000064590221 569621344 /nfs/dbraw/zinc/62/13/44/569621344.db2.gz MWMKREVIVJNFEE-UHFFFAOYSA-N -1 0 465.937 4.626 50 0 JJAARM CC(C)C(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2cc(Cl)ccc2Cl)[n-]c1=O ZINC000064687504 569623862 /nfs/dbraw/zinc/62/38/62/569623862.db2.gz GDSCEJUVPWVLBB-UHFFFAOYSA-N -1 0 492.388 4.876 50 0 JJAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(SCC(=O)Nc2c(C)cccc2Cl)[n-]c1=O ZINC000064774470 569626418 /nfs/dbraw/zinc/62/64/18/569626418.db2.gz WZKJXIVOHZKUIC-UHFFFAOYSA-N -1 0 471.970 4.512 50 0 JJAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(S[C@H](C)C(=O)Nc2cccc(C)c2C)[n-]c1=O ZINC000064774532 569626558 /nfs/dbraw/zinc/62/65/58/569626558.db2.gz ADXPZPQJGHKIQW-MRXNPFEDSA-N -1 0 465.579 4.556 50 0 JJAARM Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2NC(=O)C(C)C)c(=O)[n-]1 ZINC000064774629 569626857 /nfs/dbraw/zinc/62/68/57/569626857.db2.gz VOLMVZGMXTZPFM-MRXNPFEDSA-N -1 0 465.579 4.575 50 0 JJAARM CC(C)C(=O)Nc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)[n-]c1=O ZINC000064774604 569626919 /nfs/dbraw/zinc/62/69/19/569626919.db2.gz YTAUAFPUBVFHQW-CYBMUJFWSA-N -1 0 471.970 4.611 50 0 JJAARM O=C(CSc1nnc(-c2ccccc2NC(=O)c2ccccc2)c(=O)[n-]1)Nc1ccccc1Cl ZINC000064774740 569627023 /nfs/dbraw/zinc/62/70/23/569627023.db2.gz FPEOLDICKADOMS-UHFFFAOYSA-N -1 0 491.960 4.881 50 0 JJAARM CCC(=O)Nc1ccccc1-c1nnc(S[C@@H](CC)C(=O)Nc2ccc(F)c(Cl)c2)[n-]c1=O ZINC000064774719 569627059 /nfs/dbraw/zinc/62/70/59/569627059.db2.gz PEEUAGXPAQHKAB-KRWDZBQOSA-N -1 0 489.960 4.895 50 0 JJAARM COc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)c(OC)c1OC ZINC000064797374 569630382 /nfs/dbraw/zinc/63/03/82/569630382.db2.gz HZOPCAPCRMGXRN-AWEZNQCLSA-N -1 0 457.479 4.752 50 0 JJAARM CCn1nc(C)c(CCN(C)c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(Cl)cc2)c1C ZINC000064820370 569636168 /nfs/dbraw/zinc/63/61/68/569636168.db2.gz VTQHJPFYJQNSBD-UHFFFAOYSA-N -1 0 454.958 4.803 50 0 JJAARM O=C1N(Cc2ccccc2)CCCN1c1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000034737599 569654604 /nfs/dbraw/zinc/65/46/04/569654604.db2.gz IKTFRFNTGFPISJ-UHFFFAOYSA-N -1 0 455.967 4.973 50 0 JJAARM COc1cc(CN2CCCN(c3ccc(C)cc3[N-]S(=O)(=O)c3ccccc3)C2=O)cc(OC)c1 ZINC000034737786 569654726 /nfs/dbraw/zinc/65/47/26/569654726.db2.gz GDVYVGZBTZJBJI-UHFFFAOYSA-N -1 0 495.601 4.645 50 0 JJAARM CCCCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)nc1 ZINC000065063479 569656662 /nfs/dbraw/zinc/65/66/62/569656662.db2.gz WTWSLXGQHHFXOO-UHFFFAOYSA-N -1 0 465.984 4.920 50 0 JJAARM O=C(CCc1nnc(-c2cccc(OCc3ccccc3)c2)[n-]c1=O)NCCCc1ccccc1 ZINC000034764568 569658219 /nfs/dbraw/zinc/65/82/19/569658219.db2.gz JHVYRNJJYFFMQO-UHFFFAOYSA-N -1 0 468.557 4.505 50 0 JJAARM O=S(=O)([N-]c1ccc(Oc2nc3ccccc3n3cnnc23)cc1)c1ccccc1Br ZINC000065096424 569660843 /nfs/dbraw/zinc/66/08/43/569660843.db2.gz ACJKNKGOFZBATK-UHFFFAOYSA-N -1 0 496.346 4.633 50 0 JJAARM CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000065116095 569666193 /nfs/dbraw/zinc/66/61/93/569666193.db2.gz HTUWUGIUNUATAT-UHFFFAOYSA-N -1 0 483.468 4.691 50 0 JJAARM CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c1 ZINC000065116179 569666328 /nfs/dbraw/zinc/66/63/28/569666328.db2.gz MLVOMZXAKHVLNT-UHFFFAOYSA-N -1 0 457.552 4.597 50 0 JJAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(C)c(F)c3)c2)sc1C(=O)N1CCCC1 ZINC000065116991 569666815 /nfs/dbraw/zinc/66/68/15/569666815.db2.gz BDNLIVRKFIPBDG-UHFFFAOYSA-N -1 0 465.597 4.664 50 0 JJAARM CCOc1ccc([N-]S(=O)(=O)c2cc(-c3nc(C)c(C(=O)N4CCCC4)s3)cs2)cc1 ZINC000065116915 569666830 /nfs/dbraw/zinc/66/68/30/569666830.db2.gz YNYBLBXZEXQVAL-UHFFFAOYSA-N -1 0 477.633 4.616 50 0 JJAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)sc1C(=O)N1CCCC1 ZINC000065116941 569666916 /nfs/dbraw/zinc/66/69/16/569666916.db2.gz FCKJHBOUJCAPLZ-UHFFFAOYSA-N -1 0 461.634 4.834 50 0 JJAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)sc1C(=O)N1CCCCC1 ZINC000065117098 569667092 /nfs/dbraw/zinc/66/70/92/569667092.db2.gz MFPMKBISMSWYRJ-UHFFFAOYSA-N -1 0 465.597 4.746 50 0 JJAARM CC[C@@H](Sc1nnc(-c2ccccc2NC(C)=O)c(=O)[n-]1)C(=O)Nc1c(C)cc(C)cc1C ZINC000035377889 569685389 /nfs/dbraw/zinc/68/53/89/569685389.db2.gz SEGJPWXZXYAVDO-LJQANCHMSA-N -1 0 465.579 4.637 50 0 JJAARM CCC(=O)Nc1ccccc1-c1nnc(S[C@@H](CC)C(=O)Nc2cccc(C)c2C)[n-]c1=O ZINC000035377975 569685522 /nfs/dbraw/zinc/68/55/22/569685522.db2.gz HOQRIYIZGOJCQJ-IBGZPJMESA-N -1 0 465.579 4.719 50 0 JJAARM CCC(=O)Nc1ccccc1-c1nnc(S[C@@H](CC)C(=O)Nc2ccc(CC)cc2)[n-]c1=O ZINC000035377945 569685636 /nfs/dbraw/zinc/68/56/36/569685636.db2.gz PANPFXWLFXZYRI-IBGZPJMESA-N -1 0 465.579 4.665 50 0 JJAARM CCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1C(=O)[O-] ZINC000035397237 569687891 /nfs/dbraw/zinc/68/78/91/569687891.db2.gz UPJODULZTRUTKJ-UHFFFAOYSA-N -1 0 467.591 4.905 50 0 JJAARM Cc1ccccc1C1=CCN(c2ncc(NS(=O)(=O)c3cc(F)ccc3C)cc2C(=O)[O-])CC1 ZINC000035397803 569688370 /nfs/dbraw/zinc/68/83/70/569688370.db2.gz XLMCVDGVISUKEA-UHFFFAOYSA-N -1 0 481.549 4.630 50 0 JJAARM COc1cc(Cl)c([N-]S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)c(OC)c1 ZINC000035557311 569703218 /nfs/dbraw/zinc/70/32/18/569703218.db2.gz NYECONBRIVXIGI-UHFFFAOYSA-N -1 0 455.945 4.537 50 0 JJAARM COc1cc(OC)c([N-]S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)cc1Cl ZINC000035557109 569703224 /nfs/dbraw/zinc/70/32/24/569703224.db2.gz JWQISCRWLWHPFW-UHFFFAOYSA-N -1 0 455.945 4.537 50 0 JJAARM COc1cc(OC)c([N-]S(=O)(=O)c2cc(-c3noc(C4CCCC4)n3)cs2)cc1Cl ZINC000035557370 569703261 /nfs/dbraw/zinc/70/32/61/569703261.db2.gz ALZTVHKNXGCTNC-UHFFFAOYSA-N -1 0 469.972 4.927 50 0 JJAARM O=C([O-])[C@@H](CCC(=O)OC1CCCCC1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000074938230 569704678 /nfs/dbraw/zinc/70/46/78/569704678.db2.gz ODIPEUXZAYGDMU-HSZRJFAPSA-N -1 0 451.519 4.634 50 0 JJAARM CCOc1ccc2cc([C@H]3CC(c4ccc(F)cc4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc2c1 ZINC000079047204 569706719 /nfs/dbraw/zinc/70/67/19/569706719.db2.gz YIJYQSXOPJJCSG-OAQYLSRUSA-N -1 0 469.900 4.969 50 0 JJAARM COc1ccc2nc(Cl)c([C@H]3CC(c4ccc(F)cc4)=NN3C(=O)CCC(=O)[O-])cc2c1 ZINC000079047238 569706917 /nfs/dbraw/zinc/70/69/17/569706917.db2.gz RMQSSSZQZMYFBN-HXUWFJFHSA-N -1 0 455.873 4.578 50 0 JJAARM COc1cccc(-c2[n-]n(-c3ccc(C)cc3)c(=O)c2C=C2NC(=O)N(Cc3cccc(C)c3)C2=O)c1 ZINC000035829464 569712859 /nfs/dbraw/zinc/71/28/59/569712859.db2.gz MJNOMZUUNLYSBS-XYGWBWBKSA-N -1 0 494.551 4.963 50 0 JJAARM COc1cccc(-c2[n-]n(-c3ccc(C)cc3)c(=O)c2C=C2NC(=O)N(Cc3ccc(F)cc3)C2=O)c1 ZINC000035829439 569712929 /nfs/dbraw/zinc/71/29/29/569712929.db2.gz WFDZLOKJSQZKEL-IWIPYMOSSA-N -1 0 498.514 4.794 50 0 JJAARM Cc1cccc(CN2C(=O)NC(=Cc3c(=O)n(Cc4ccccc4)[n-]c3-c3ccccc3)C2=O)c1 ZINC000035836801 569713522 /nfs/dbraw/zinc/71/35/22/569713522.db2.gz YKSVDZIFNXEGFT-JLPGSUDCSA-N -1 0 464.525 4.705 50 0 JJAARM O=S(=O)([N-]c1cccc(Br)c1)c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1 ZINC000085664800 569714803 /nfs/dbraw/zinc/71/48/03/569714803.db2.gz GUCBJMYMJPTLMM-UHFFFAOYSA-N -1 0 452.277 4.720 50 0 JJAARM COC(=O)C[C@H](c1cccc2nccnc21)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096114695 569733578 /nfs/dbraw/zinc/73/35/78/569733578.db2.gz CMCDTXMYJQWGCN-QGZVFWFLSA-N -1 0 468.465 4.509 50 0 biogenic JJAARM COC(=O)C[C@@H](c1cccc2nccnc21)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096114694 569733630 /nfs/dbraw/zinc/73/36/30/569733630.db2.gz CMCDTXMYJQWGCN-KRWDZBQOSA-N -1 0 468.465 4.509 50 0 biogenic JJAARM O=C1C[C@H](c2cc3c(c(Cl)c2)OCO3)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096114795 569733831 /nfs/dbraw/zinc/73/38/31/569733831.db2.gz VWSNAYWQTJQIKT-CQSZACIVSA-N -1 0 478.840 4.694 50 0 biogenic JJAARM COC(=O)C[C@H](c1ccc(O)c(Cl)c1)c1c(=O)cc([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096115295 569734221 /nfs/dbraw/zinc/73/42/21/569734221.db2.gz VQKNUIJLKFHAMG-OAHLLOKOSA-N -1 0 466.873 4.925 50 0 biogenic JJAARM COC(=O)C[C@H](c1ccc(OC)cc1OC)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096115477 569734408 /nfs/dbraw/zinc/73/44/08/569734408.db2.gz CQBQVWJYIDYQBP-GOSISDBHSA-N -1 0 476.481 4.583 50 0 biogenic JJAARM COc1cc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccccc5)oc4c32)cc(OC)c1OC ZINC000096115792 569734700 /nfs/dbraw/zinc/73/47/00/569734700.db2.gz VGQNUUIPHYIDSU-MRXNPFEDSA-N -1 0 474.465 4.632 50 0 biogenic JJAARM O=c1cc(-c2ccccc2)oc2c1c([O-])cc1c2[C@H](c2cc3cccc4c3n(c2=O)CCC4)CC(=O)O1 ZINC000096116417 569735348 /nfs/dbraw/zinc/73/53/48/569735348.db2.gz SSAROIRYUILLBM-IBGZPJMESA-N -1 0 491.499 4.868 50 0 biogenic JJAARM COC(=O)C[C@H]1c2c(nc3sccn32)Oc2cc([O-])c3c(=O)c(-c4ccc(OC)cc4)coc3c21 ZINC000096222093 569739294 /nfs/dbraw/zinc/73/92/94/569739294.db2.gz ZOYDYUPXFAGNER-CQSZACIVSA-N -1 0 490.493 4.684 50 0 biogenic JJAARM COC(=O)C[C@@H]1c2c(nc3sccn32)Oc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c21 ZINC000096222721 569739593 /nfs/dbraw/zinc/73/95/93/569739593.db2.gz DBTABEQCFLISOR-ZDUSSCGKSA-N -1 0 460.467 4.676 50 0 biogenic JJAARM COc1ccc(Cn2c(=O)c3ccc(C(=O)N[C@@H]4CCC[C@H](C)[C@H]4C)cc3[n-]c2=S)cc1 ZINC000036064660 569756649 /nfs/dbraw/zinc/75/66/49/569756649.db2.gz PIMNAKSCTYQHCF-GCKMJXCFSA-N -1 0 451.592 4.670 50 0 JJAARM O=C(Nc1cccc(O)c1)C(=O)C(=C([O-])c1ccc(Cl)c(Cl)c1)[C@@H]1OC(=O)c2ccccc21 ZINC000100721734 569767730 /nfs/dbraw/zinc/76/77/30/569767730.db2.gz ZPGSJKQHAAINEI-DENIHFKCSA-N -1 0 484.291 4.617 50 0 JJAARM CC(=O)c1ccc(NC(=O)C(=O)C(=C([O-])c2ccc3ccccc3c2)[C@@H]2OC(=O)c3ccccc32)cc1 ZINC000100721815 569767777 /nfs/dbraw/zinc/76/77/77/569767777.db2.gz LDIQKLGDYAMPSG-LBNVMWSVSA-N -1 0 491.499 4.961 50 0 JJAARM O=C1N[C@H](c2cccc(Oc3ccccc3)c2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000100736612 569768321 /nfs/dbraw/zinc/76/83/21/569768321.db2.gz DQISCTGGGKDBKN-WAOWUJCRSA-N -1 0 462.449 4.644 50 0 JJAARM Cc1ccc([C@H]2CC(c3ccccc3)=Nc3nc([N-]S(=O)(=O)c4ccc(C)cc4)nn32)cc1 ZINC000100865685 569772858 /nfs/dbraw/zinc/77/28/58/569772858.db2.gz KDTQSJBZIGDCNL-HSZRJFAPSA-N -1 0 457.559 4.752 50 0 JJAARM COc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=Nc2nc([N-]S(=O)(=O)c3ccccc3)nn21 ZINC000101030941 569780117 /nfs/dbraw/zinc/78/01/17/569780117.db2.gz UHZZFPLTWAQUSS-NRFANRHFSA-N -1 0 493.976 4.797 50 0 JJAARM O=C(Nc1ccccc1[N-]S(=O)(=O)c1cccs1)c1cc(F)ccc1Br ZINC000037133245 569781351 /nfs/dbraw/zinc/78/13/51/569781351.db2.gz YWOUROKHOGKVMG-UHFFFAOYSA-N -1 0 455.330 4.703 50 0 JJAARM O=c1[nH]c(=O)n(Cc2ccccc2)c([O-])c1C1=Nc2ccccc2S[C@@H](c2cccs2)C1 ZINC000101495018 569800105 /nfs/dbraw/zinc/80/01/05/569800105.db2.gz JLNIWYJQAIZFCI-HXUWFJFHSA-N -1 0 461.568 4.710 50 0 JJAARM O=c1[nH]c([O-])c(C2=Nc3ccccc3S[C@@H](c3cccc(O)c3)C2)c(=O)n1-c1ccc(Cl)cc1 ZINC000101495288 569800425 /nfs/dbraw/zinc/80/04/25/569800425.db2.gz BUNAWEXXVCEFHA-OAQYLSRUSA-N -1 0 491.956 4.948 50 0 JJAARM COc1ccc(NC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(F)cc5)nc-4c3c2)cc1Cl ZINC000101828825 569805583 /nfs/dbraw/zinc/80/55/83/569805583.db2.gz IFZRUUAVJOJZFR-UHFFFAOYSA-N -1 0 462.868 4.872 50 0 JJAARM Cc1ccc(C2=Nc3nc([N-]S(=O)(=O)c4ccc(C)cc4)nn3[C@H](c3ccc(F)cc3)C2)cc1 ZINC000101836512 569805976 /nfs/dbraw/zinc/80/59/76/569805976.db2.gz HAKKORQMPATDLI-QHCPKHFHSA-N -1 0 475.549 4.891 50 0 JJAARM Cc1oc(-c2cccc(Cl)c2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(C(C)C)cc3)c(=O)c1=2 ZINC000102478932 569813535 /nfs/dbraw/zinc/81/35/35/569813535.db2.gz HMBFGCILKAITAL-NHCUHLMSSA-N -1 0 463.925 4.920 50 0 JJAARM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)c(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000040115212 569816317 /nfs/dbraw/zinc/81/63/17/569816317.db2.gz RSLKMQLIAZVHQU-FQEVSTJZSA-N -1 0 464.465 4.777 50 0 JJAARM Cc1noc(C)c1COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000040161761 569822929 /nfs/dbraw/zinc/82/29/29/569822929.db2.gz IEBDGXSDFFBGDL-UHFFFAOYSA-N -1 0 455.319 4.756 50 0 JJAARM COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4Cl)c32)c(OC)c1OC ZINC000040287776 569823746 /nfs/dbraw/zinc/82/37/46/569823746.db2.gz WGJLVEAAKIMEJX-ZDUSSCGKSA-N -1 0 456.882 4.978 50 0 JJAARM O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)cc21 ZINC000040450487 569828521 /nfs/dbraw/zinc/82/85/21/569828521.db2.gz AYLWUDIULDLRPY-UHFFFAOYSA-N -1 0 489.313 4.568 50 0 JJAARM CC(=O)N1c2cc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)c(Br)cc2C[C@@H]1C ZINC000040450728 569828936 /nfs/dbraw/zinc/82/89/36/569828936.db2.gz NESYWWMZULYROU-NSHDSACASA-N -1 0 457.777 4.509 50 0 JJAARM CC(=O)N1c2cc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)c(Br)cc2C[C@H]1C ZINC000040450693 569828942 /nfs/dbraw/zinc/82/89/42/569828942.db2.gz RBHSLDQFUGQJSH-SNVBAGLBSA-N -1 0 477.302 4.566 50 0 JJAARM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cc2c(cc1Br)C[C@@H](C)N2C(C)=O ZINC000040454536 569829366 /nfs/dbraw/zinc/82/93/66/569829366.db2.gz YJFBDAQTINRRIO-LLVKDONJSA-N -1 0 487.803 4.518 50 0 JJAARM COc1ccc(C(=O)Nc2ccc(N3CCN(c4cccc(C)c4)[C@H](C)C3)c(C(=O)[O-])c2)cc1 ZINC000104782947 569846285 /nfs/dbraw/zinc/84/62/85/569846285.db2.gz ZGEBWRDQXVKFFF-LJQANCHMSA-N -1 0 459.546 4.669 50 0 JJAARM COc1cccc2cc([C@@H]3CC(c4cccc(C)c4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc21 ZINC000170614173 569872934 /nfs/dbraw/zinc/87/29/34/569872934.db2.gz GTUHYTNKQKIEHC-IBGZPJMESA-N -1 0 451.910 4.748 50 0 JJAARM Cc1cc(Br)c(NC(=O)COc2ccc(C(=O)[O-])cc2Br)cc1C ZINC000226233976 570037266 /nfs/dbraw/zinc/03/72/66/570037266.db2.gz GHLXSODWKHEOCC-UHFFFAOYSA-N -1 0 457.118 4.544 50 0 JJAARM CCOC(=O)c1c(C)c(C)sc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccc(C)cc3)[C@H]2C1=O ZINC000245238430 570057473 /nfs/dbraw/zinc/05/74/73/570057473.db2.gz NYMXESZBJXQADW-DNVJHFABSA-N -1 0 490.581 4.901 50 0 JJAARM O=C([O-])c1ccccc1[C@@H]1[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]2ON1c1ccccc1 ZINC000245239793 570057834 /nfs/dbraw/zinc/05/78/34/570057834.db2.gz CYGRNZCJXKWIRB-SDHSZQHLSA-N -1 0 464.477 4.589 50 0 JJAARM CCOc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(SC)cc3)[C@H]2C1=O ZINC000245311080 570063405 /nfs/dbraw/zinc/06/34/05/570063405.db2.gz MCDHGROHRRBXPD-TZRRMPRUSA-N -1 0 460.555 4.858 50 0 JJAARM COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OC)c(OC)c2C(=O)[O-])c1 ZINC000248247069 570076696 /nfs/dbraw/zinc/07/66/96/570076696.db2.gz MVCRBDJMNCHZKT-CPJSRVTESA-N -1 0 460.486 4.653 50 0 JJAARM CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000252611521 570086101 /nfs/dbraw/zinc/08/61/01/570086101.db2.gz IKGFQEICVAURHP-UHFFFAOYSA-N -1 0 455.511 4.536 50 0 JJAARM Cc1cc2nc3sc(=Cc4ccc(-c5ccc(Cl)c(C(=O)[O-])c5)o4)c(=O)n3c2cc1C ZINC000252677515 570093945 /nfs/dbraw/zinc/09/39/45/570093945.db2.gz YZJVXHBESZEGQF-UHFFFAOYSA-N -1 0 450.903 4.685 50 0 JJAARM COc1cc([C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)c2c([O-])cc(C)oc2=O)cc2c1OCO2 ZINC000253471001 570099148 /nfs/dbraw/zinc/09/91/48/570099148.db2.gz JTOTWYYIIGMNQE-AWEZNQCLSA-N -1 0 492.311 4.859 50 0 JJAARM COc1ccc([C@@H](CC(=O)Nc2ccc(C(F)(F)F)cc2)c2c([O-])cc(C)oc2=O)cc1O ZINC000253471563 570099399 /nfs/dbraw/zinc/09/93/99/570099399.db2.gz VDLMMTSTLUULQB-MRXNPFEDSA-N -1 0 463.408 4.548 50 0 JJAARM CC(=O)O[C@@H]1CC[C@]2(C)[C@H](C1)C[C@@H](OC(C)=O)[C@H]1[C@H]3CC[C@@H]([C@@H](C)CCC(=O)[O-])[C@@]3(C)[C@@H](O)C[C@@H]12 ZINC000257347245 570152089 /nfs/dbraw/zinc/15/20/89/570152089.db2.gz BKPNMUHLOXZELU-RIKZWSGHSA-N -1 0 492.653 4.590 50 0 JJAARM CCOc1ccc2nc([N-]C(NC(=O)c3ccco3)(C(F)(F)F)C(F)(F)F)sc2c1 ZINC000000721249 193906276 /nfs/dbraw/zinc/90/62/76/193906276.db2.gz YNTDPHXMVLPFER-UHFFFAOYSA-N -1 0 453.364 4.951 50 0 JJAARM Cc1ccc(NC(=S)N[N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C ZINC000001037260 194007384 /nfs/dbraw/zinc/00/73/84/194007384.db2.gz AXUILVFAAIKXJG-UHFFFAOYSA-N -1 0 471.448 4.521 50 0 JJAARM O=C([O-])c1cccc(-n2cccc2/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c1 ZINC000001006166 194002086 /nfs/dbraw/zinc/00/20/86/194002086.db2.gz XZSRNQWOJFICNY-XDHOZWIPSA-N -1 0 481.917 4.504 50 0 JJAARM COc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000001147107 194048698 /nfs/dbraw/zinc/04/86/98/194048698.db2.gz FJWDIWMPBDIUBP-MKMNVTDBSA-N -1 0 472.122 4.524 50 0 JJAARM COc1ccc(OC)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000001158716 194053806 /nfs/dbraw/zinc/05/38/06/194053806.db2.gz PBIMKMRJKCSYLG-UHFFFAOYSA-N -1 0 470.938 4.845 50 0 JJAARM O=C([O-])c1ccc(S(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccccc2-c2ccccc2)C3=O)cc1 ZINC000001207513 194070348 /nfs/dbraw/zinc/07/03/48/194070348.db2.gz DYVAYIQRQAWUQH-UHFFFAOYSA-N -1 0 483.501 4.685 50 0 JJAARM COc1cc2cc([C@@H]3CC(c4ccccc4)=NN3C(=O)CCCC(=O)[O-])c(Cl)nc2cc1OC ZINC000001249115 194079897 /nfs/dbraw/zinc/07/98/97/194079897.db2.gz OTAWPDAIHUNHDE-FQEVSTJZSA-N -1 0 481.936 4.838 50 0 JJAARM CCOc1cc(/C=C2\NC(=O)[N-]C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000001212823 194071800 /nfs/dbraw/zinc/07/18/00/194071800.db2.gz FSGMSSGTCGLFNX-ODLFYWEKSA-N -1 0 467.319 4.760 50 0 JJAARM COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000001216890 194073058 /nfs/dbraw/zinc/07/30/58/194073058.db2.gz LKGMJEYUJLZRJE-UHFFFAOYSA-N -1 0 470.938 4.845 50 0 JJAARM O=C(Nc1cccc2c(=O)cc(-c3nnn[n-]3)oc12)c1ccc(OCCCCc2ccccc2)cc1 ZINC000001542146 194127535 /nfs/dbraw/zinc/12/75/35/194127535.db2.gz NBQKINXMPLXUET-UHFFFAOYSA-N -1 0 481.512 4.627 50 0 world JJAARM O=C(CSC(=S)N1CCCCC1)c1cc(Br)cc(Br)c1[O-] ZINC000001445340 194122477 /nfs/dbraw/zinc/12/24/77/194122477.db2.gz NSYIYBLDWVSQNP-UHFFFAOYSA-N -1 0 453.221 4.604 50 0 JJAARM CC[C@@H](C)[C@H](NC(=O)CCc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4)C(=O)[O-] ZINC000002104916 194156891 /nfs/dbraw/zinc/15/68/91/194156891.db2.gz DPIMMPIMQIETGR-DMZKTXOQSA-N -1 0 453.535 4.583 50 0 biogenic JJAARM Cc1coc2cc3oc(=O)c(CCC(=O)N4CCC(C(=O)[O-])(c5ccccc5)CC4)c(C)c3cc12 ZINC000002103379 194156920 /nfs/dbraw/zinc/15/69/20/194156920.db2.gz MWDKDUWPVNYIDF-UHFFFAOYSA-N -1 0 473.525 4.734 50 0 biogenic JJAARM CCCC[C@H](NC(=O)CCc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4)C(=O)[O-] ZINC000002097006 194156936 /nfs/dbraw/zinc/15/69/36/194156936.db2.gz BDYIBNLTWCWDBK-FQEVSTJZSA-N -1 0 453.535 4.727 50 0 biogenic JJAARM Cc1c2occ(-c3ccc(Cl)cc3)c2cc2c(C)c(CC(=O)NCCCC(=O)[O-])c(=O)oc12 ZINC000002121920 194157245 /nfs/dbraw/zinc/15/72/45/194157245.db2.gz FBMQPUJEKPLAPW-UHFFFAOYSA-N -1 0 467.905 5.000 50 0 biogenic JJAARM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)N2CCCC2)ccc1Cl ZINC000002886362 194167335 /nfs/dbraw/zinc/16/73/35/194167335.db2.gz AWXFWLFBKRUQPN-UHFFFAOYSA-N -1 0 498.004 4.938 50 0 JJAARM O=C(CCCCCn1c(=O)c2cc(Br)ccc2[n-]c1=S)NCCc1ccccc1 ZINC000002973899 194190138 /nfs/dbraw/zinc/19/01/38/194190138.db2.gz DXZKTMFTNNETBU-UHFFFAOYSA-N -1 0 474.424 4.741 50 0 JJAARM CCOc1cc2[n-]c(=S)n(Cc3ccc(C(=O)NCc4ccccc4)cc3)c(=O)c2cc1OCC ZINC000003010296 194203893 /nfs/dbraw/zinc/20/38/93/194203893.db2.gz QHNRDBCZPKVJCE-UHFFFAOYSA-N -1 0 489.597 4.835 50 0 JJAARM COc1ccc(NC(=S)N(Cc2ccc(C(=O)[O-])cc2)Cc2ccc(OC)c(OC)c2)cc1 ZINC000003036489 194214269 /nfs/dbraw/zinc/21/42/69/194214269.db2.gz ZYTWVJQZHKUQJM-UHFFFAOYSA-N -1 0 466.559 4.810 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(SCC(=O)c3ccccc3)nc2c1 ZINC000003229453 194245259 /nfs/dbraw/zinc/24/52/59/194245259.db2.gz PTOPPXXYPAFOEE-UHFFFAOYSA-N -1 0 454.529 4.612 50 0 JJAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000003283162 194262982 /nfs/dbraw/zinc/26/29/82/194262982.db2.gz CMSUFYWIHBUWQG-UHFFFAOYSA-N -1 0 468.922 4.599 50 0 JJAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3-c3ccccc3)cc2)c1C ZINC000003298931 194271701 /nfs/dbraw/zinc/27/17/01/194271701.db2.gz PPEQETMWDGOBRC-UHFFFAOYSA-N -1 0 477.542 4.777 50 0 JJAARM CCOc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(OCC)cc2)cc1 ZINC000003300022 194272157 /nfs/dbraw/zinc/27/21/57/194272157.db2.gz KUNGWGKCJJJKTG-UHFFFAOYSA-N -1 0 464.547 4.972 50 0 JJAARM CN(C(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000003425131 194319892 /nfs/dbraw/zinc/31/98/92/194319892.db2.gz IFFIPIYPNXJXEZ-UHFFFAOYSA-N -1 0 493.368 4.614 50 0 JJAARM O=C(NCc1ccco1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000003436999 194324209 /nfs/dbraw/zinc/32/42/09/194324209.db2.gz UFMZLKPKALHFQL-UHFFFAOYSA-N -1 0 458.845 4.683 50 0 JJAARM CC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1 ZINC000003947404 194367051 /nfs/dbraw/zinc/36/70/51/194367051.db2.gz AMGKBZYEXDNRIN-UHFFFAOYSA-N -1 0 467.591 4.978 50 0 JJAARM COC(=O)c1nc(NN=c2[n-]c(C(=O)OC)c(-c3ccccc3)s2)sc1-c1ccccc1 ZINC000003668722 194357483 /nfs/dbraw/zinc/35/74/83/194357483.db2.gz ZQAYTOBRMWVOFO-UHFFFAOYSA-N -1 0 466.544 4.946 50 0 JJAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(-c2cn3ccsc3n2)c1 ZINC000004022998 194370868 /nfs/dbraw/zinc/37/08/68/194370868.db2.gz RXKXZURDMCZBIR-UHFFFAOYSA-N -1 0 464.366 4.635 50 0 JJAARM CC(C)(C)OC(=O)N1CCC[C@H]1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000004284378 194386973 /nfs/dbraw/zinc/38/69/73/194386973.db2.gz IHZFLORRBDPBPS-SBUREZEXSA-N -1 0 480.561 4.768 50 0 JJAARM COc1ccc(-c2[nH]nc3nc(-c4cc(Br)ccc4OC)cc(C(=O)[O-])c32)cc1 ZINC000008588819 194457928 /nfs/dbraw/zinc/45/79/28/194457928.db2.gz UVYGCJTYMBPGGG-UHFFFAOYSA-N -1 0 454.280 4.770 50 0 JJAARM CCN(CC)c1ccc(NC(=O)c2ccccc2F)cc1S(=O)(=O)[N-]c1ccccc1OC ZINC000008686689 194477038 /nfs/dbraw/zinc/47/70/38/194477038.db2.gz QNHIKZJBELHJKM-UHFFFAOYSA-N -1 0 471.554 4.734 50 0 aggregator JJAARM COc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4cccs4)=NN32)c(C(=O)[O-])c1OC ZINC000009043948 194509699 /nfs/dbraw/zinc/50/96/99/194509699.db2.gz FEHHUPDAJQUCPH-WAIKUNEKSA-N -1 0 466.515 4.714 50 0 biogenic JJAARM O=C(c1cc(-c2ccccn2)c2nc3sc4c(c3c(=O)n2c1)CCCC4)c1ccccc1[O-] ZINC000009114663 194534026 /nfs/dbraw/zinc/53/40/26/194534026.db2.gz SQFAIXCGDLFLAN-UHFFFAOYSA-N -1 0 453.523 4.787 50 0 JJAARM COc1cc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)ccc1OCc1cccc(C)c1 ZINC000009892685 195016547 /nfs/dbraw/zinc/01/65/47/195016547.db2.gz VTZFTEMYAXMHSD-UHFFFAOYSA-N -1 0 462.546 4.730 50 0 JJAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Sc3ccc(Cl)cc3)cc2)nc(C)n1 ZINC000009911082 195021724 /nfs/dbraw/zinc/02/17/24/195021724.db2.gz MTEQDVMYUAMOIX-AWEZNQCLSA-N -1 0 477.011 4.667 50 0 JJAARM CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)C(=O)[C@H]12 ZINC000009968546 195041218 /nfs/dbraw/zinc/04/12/18/195041218.db2.gz LLMWJBZTHJLJTR-FPAXGFGJSA-N -1 0 457.913 4.999 50 0 JJAARM COc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000012605777 195051508 /nfs/dbraw/zinc/05/15/08/195051508.db2.gz OIFZIOOYJVPJMJ-UHFFFAOYSA-N -1 0 486.546 4.589 50 0 JJAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)sc2c1 ZINC000012629096 195061525 /nfs/dbraw/zinc/06/15/25/195061525.db2.gz JSLXPRXKNWTVJI-IRXDYDNUSA-N -1 0 487.578 4.996 50 0 JJAARM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)o1 ZINC000012629394 195061842 /nfs/dbraw/zinc/06/18/42/195061842.db2.gz UDVIUIARFUPYEE-NDENLUEZSA-N -1 0 462.483 4.628 50 0 JJAARM COc1ccc(NC(=O)CCCOc2ccc(F)cc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000012631139 195063416 /nfs/dbraw/zinc/06/34/16/195063416.db2.gz DXUNYLGKKRGDJH-UHFFFAOYSA-N -1 0 476.501 4.572 50 0 JJAARM Cc1ccc(Sc2ccc([N-]S(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)cc2)c(C)c1 ZINC000012782749 195125571 /nfs/dbraw/zinc/12/55/71/195125571.db2.gz HHECWHHCMJCKET-UHFFFAOYSA-N -1 0 455.605 4.820 50 0 JJAARM Cc1ccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1 ZINC000012898629 195176324 /nfs/dbraw/zinc/17/63/24/195176324.db2.gz LWYVTIXOAZJUGF-UHFFFAOYSA-N -1 0 459.955 4.806 50 0 JJAARM CCOc1cc2[n-]c(=S)n(CCCCC(=O)NC3CCCCCC3)c(=O)c2cc1OCC ZINC000020644780 195194888 /nfs/dbraw/zinc/19/48/88/195194888.db2.gz CQTCSTKMCYKRFT-UHFFFAOYSA-N -1 0 461.628 4.866 50 0 JJAARM COc1ccc2o/c(=N\c3ccc(C(=O)[O-])cc3)c(C(=O)Nc3ccc(OC)cc3OC)cc2c1 ZINC000020616713 195188382 /nfs/dbraw/zinc/18/83/82/195188382.db2.gz KOMSNLCJZQGZMN-RFBIWTDZSA-N -1 0 474.469 4.642 50 0 JJAARM CCOc1cc2c(cc1OCC)[C@@H](CC(=O)[O-])N(C(=O)Nc1ccc(F)c(Cl)c1)CC2 ZINC000020920491 195247715 /nfs/dbraw/zinc/24/77/15/195247715.db2.gz BPCLVYPCVGYDOS-GOSISDBHSA-N -1 0 450.894 4.883 50 0 JJAARM CCOc1ccc(-c2cccc([N-]S(=O)(=O)c3cc(Br)ccc3OCC)c2)nn1 ZINC000021089746 195274531 /nfs/dbraw/zinc/27/45/31/195274531.db2.gz JHCSTUMZAWEQAN-UHFFFAOYSA-N -1 0 478.368 4.504 50 0 JJAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCc4ccccc43)c2)cc1Cl ZINC000021278453 195293098 /nfs/dbraw/zinc/29/30/98/195293098.db2.gz IAXMMTNJAMGDSE-UHFFFAOYSA-N -1 0 486.977 4.669 50 0 JJAARM Cn1c(CCc2cccc([N-]S(=O)(=O)c3ccc(Br)s3)c2)nc2ccccc21 ZINC000021357325 195297849 /nfs/dbraw/zinc/29/78/49/195297849.db2.gz HPQMVHWIXURSLC-UHFFFAOYSA-N -1 0 476.421 4.983 50 0 JJAARM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(Sc2ccccn2)c(Cl)c1 ZINC000058245652 195374891 /nfs/dbraw/zinc/37/48/91/195374891.db2.gz YGGWVARRXXZGJI-UHFFFAOYSA-N -1 0 463.968 4.654 50 0 JJAARM CC(=O)N1c2cc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)c(Br)cc2C[C@H]1C ZINC000040450729 519638804 /nfs/dbraw/zinc/63/88/04/519638804.db2.gz NESYWWMZULYROU-LLVKDONJSA-N -1 0 457.777 4.509 50 0 JJAARM CC(=O)Nc1ccc(N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c(C(=O)[O-])c1 ZINC000033078510 519721246 /nfs/dbraw/zinc/72/12/46/519721246.db2.gz WGPUPRRLKRFDQF-RUZDIDTESA-N -1 0 463.965 4.908 50 0 JJAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N[C@H](C)c2ccc(F)cc2)cc1 ZINC000016097379 519731730 /nfs/dbraw/zinc/73/17/30/519731730.db2.gz UGCVXKKYBALPJN-OAHLLOKOSA-N -1 0 479.537 4.701 50 0 JJAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCc2ccccc2Cl)cc1 ZINC000016097384 519731882 /nfs/dbraw/zinc/73/18/82/519731882.db2.gz MDHZQALGQALBHJ-UHFFFAOYSA-N -1 0 481.965 4.655 50 0 JJAARM CCCC(=O)Nc1ccc2nc(N3CCN(c4cccc(Cl)c4)CC3)cc(C(=O)[O-])c2c1 ZINC000033260607 519879162 /nfs/dbraw/zinc/87/91/62/519879162.db2.gz XZKOXVWDNWROQI-UHFFFAOYSA-N -1 0 452.942 4.652 50 0 JJAARM CC/N=C1\S/C(=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OCC)c2)C(=O)N1CC ZINC000002177139 520207740 /nfs/dbraw/zinc/20/77/40/520207740.db2.gz UTXHFRZRQNEYJG-TUIQHYKLSA-N -1 0 454.548 4.675 50 0 JJAARM CCN(CC)C(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4cccs4)ccc3n2C)cc1 ZINC000033277021 520547189 /nfs/dbraw/zinc/54/71/89/520547189.db2.gz LXCSPWIRAAMUSW-UHFFFAOYSA-N -1 0 468.604 4.585 50 0 JJAARM CCCS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2c3ccccc3oc2C(=O)c2ccccc2)n1 ZINC000008611980 520547766 /nfs/dbraw/zinc/54/77/66/520547766.db2.gz NFABOGCCMBELQI-UHFFFAOYSA-N -1 0 483.933 4.543 50 0 JJAARM CCOC(=O)C1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2Cl)CC1 ZINC000022851843 520583479 /nfs/dbraw/zinc/58/34/79/520583479.db2.gz YBDBQHPTMKVBSU-SFHVURJKSA-N -1 0 486.981 4.774 50 0 JJAARM CCOc1cc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(Br)cc3)n2)ccc1O ZINC000020492309 520612501 /nfs/dbraw/zinc/61/25/01/520612501.db2.gz DMSYEZZVOLGVIL-UHFFFAOYSA-N -1 0 454.280 4.857 50 0 JJAARM CCOc1cc2c(cc1OCC)[C@@H](c1ccc(OC)cc1)N(c1ccc(C(=O)[O-])cc1)C(=O)C2 ZINC000002104025 520798173 /nfs/dbraw/zinc/79/81/73/520798173.db2.gz DDUXLSHPLFYPDL-AREMUKBSSA-N -1 0 461.514 4.870 50 0 biogenic JJAARM CCC[C@H](NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000016361008 521148088 /nfs/dbraw/zinc/14/80/88/521148088.db2.gz BUJSDNCGRMNZNC-KIZRYQFWSA-N -1 0 499.706 4.949 50 0 JJAARM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2cc(C)ccc2OC)s1 ZINC000033306569 521193649 /nfs/dbraw/zinc/19/36/49/521193649.db2.gz ZTRJFHKKMLXISZ-JXMROGBWSA-N -1 0 461.565 4.681 50 0 JJAARM CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)cc1 ZINC000033297943 521195605 /nfs/dbraw/zinc/19/56/05/521195605.db2.gz WSCYSYKZRPIMNG-XFFZJAGNSA-N -1 0 475.954 4.965 50 0 JJAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2ccc(C)c(Cl)c2)[n-]c1=O ZINC000021882743 521201976 /nfs/dbraw/zinc/20/19/76/521201976.db2.gz RLXYCLLWJVZBES-UHFFFAOYSA-N -1 0 471.970 4.594 50 0 JJAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2cccc3ccccc32)[n-]c1=O ZINC000021882749 521202551 /nfs/dbraw/zinc/20/25/51/521202551.db2.gz GTCOKDSXJWGOMP-UHFFFAOYSA-N -1 0 473.558 4.785 50 0 JJAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@H](CC)C(=O)Nc2cc(F)ccc2F)[n-]c1=O ZINC000021882730 521204968 /nfs/dbraw/zinc/20/49/68/521204968.db2.gz VZDSITKQWGWVKW-GOSISDBHSA-N -1 0 487.532 4.689 50 0 JJAARM CCOC(=O)c1c2c(sc1Nc1nc3ccccc3nc1[N-]S(=O)(=O)c1ccccc1)CCC2 ZINC000006146093 521418793 /nfs/dbraw/zinc/41/87/93/521418793.db2.gz DIBCNGRVQLIEPP-UHFFFAOYSA-N -1 0 494.598 4.901 50 0 JJAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(/C=C/c2onc(C)c2NC(=O)C2CC2)s1 ZINC000033306657 521553833 /nfs/dbraw/zinc/55/38/33/521553833.db2.gz GIUXGGIWMOEKMY-ZRDIBKRKSA-N -1 0 473.576 4.763 50 0 JJAARM CCCc1nnc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)s1 ZINC000024193030 521559210 /nfs/dbraw/zinc/55/92/10/521559210.db2.gz KFESTHYKQLDTGU-GOSISDBHSA-N -1 0 490.006 4.784 50 0 JJAARM CCCn1nc(C)cc1CN(C)c1ccc(NS(=O)(=O)c2cccc(Cl)c2C)cc1C(=O)[O-] ZINC000033253819 521669605 /nfs/dbraw/zinc/66/96/05/521669605.db2.gz WARVTBXHOSPRNX-UHFFFAOYSA-N -1 0 491.013 4.699 50 0 JJAARM COc1cc(OC)c([N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)[nH]n3)sc2C)cc1Cl ZINC000033299304 522814745 /nfs/dbraw/zinc/81/47/45/522814745.db2.gz TTYCZEJJVSNUBR-UHFFFAOYSA-N -1 0 481.905 4.937 50 0 JJAARM CC[C@H](Sc1nnc(-c2cc(C)ccc2NC(C)=O)c(=O)[n-]1)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000021882653 522925636 /nfs/dbraw/zinc/92/56/36/522925636.db2.gz DUCYTYGUZWBGCS-IBGZPJMESA-N -1 0 485.997 4.982 50 0 JJAARM CC[C@H](Sc1nnc(-c2cccc(C)c2NC(C)=O)c(=O)[n-]1)C(=O)Nc1ccccc1Cl ZINC000044803266 522926204 /nfs/dbraw/zinc/92/62/04/522926204.db2.gz GTGXWVZEEQYPGV-KRWDZBQOSA-N -1 0 471.970 4.674 50 0 JJAARM COc1ccc(-c2cnn3c2nc(C)cc3C)cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000033298084 523155283 /nfs/dbraw/zinc/15/52/83/523155283.db2.gz RDLSDYGKIYEYEH-UHFFFAOYSA-N -1 0 460.918 4.615 50 0 JJAARM COc1ccc(-c2cnn3c2nc(C)cc3C)cc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000033298104 523155463 /nfs/dbraw/zinc/15/54/63/523155463.db2.gz DDIPVFROOJQYBB-UHFFFAOYSA-N -1 0 450.564 4.946 50 0 JJAARM COc1ccc(-c2nn(-c3ccccc3)cc2CN(Cc2ccccc2)C(=O)/C=C/C(=O)[O-])cc1 ZINC000002701473 523244538 /nfs/dbraw/zinc/24/45/38/523244538.db2.gz WFTOSEUEDYXVFC-WUKNDPDISA-N -1 0 467.525 4.718 50 0 JJAARM CCn1c2cc([N-]S(=O)(=O)c3ccc(F)cc3)c(Sc3ccccc3)cc2n(CC)c1=O ZINC000045941043 523259277 /nfs/dbraw/zinc/25/92/77/523259277.db2.gz WQZPPIWNWBZIMJ-UHFFFAOYSA-N -1 0 471.579 4.934 50 0 JJAARM CCc1c(-c2ccc(F)cc2)nn2c1N[C@H](c1ccccc1)[C@H](c1ccccc1)[C@]2(O)C(=O)[O-] ZINC000072332352 523675432 /nfs/dbraw/zinc/67/54/32/523675432.db2.gz PDLMORCYLKVRMX-LLGBQNBKSA-N -1 0 457.505 4.932 50 0 JJAARM CCc1c(C)nc2ncnn2c1Sc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1 ZINC000033122302 523713128 /nfs/dbraw/zinc/71/31/28/523713128.db2.gz TWUBHJYZRQVINL-UHFFFAOYSA-N -1 0 490.010 4.609 50 0 JJAARM CCc1cc(Sc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3OC)cc2)n2nc(C)nc2n1 ZINC000033276046 523842547 /nfs/dbraw/zinc/84/25/47/523842547.db2.gz HODUQFRXLWMMFW-UHFFFAOYSA-N -1 0 490.010 4.609 50 0 JJAARM CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)[N-]c1cc(OC)ccc1OC ZINC000033173617 523854303 /nfs/dbraw/zinc/85/43/03/523854303.db2.gz FXTIXGIORLOGNC-UHFFFAOYSA-N -1 0 456.442 4.741 50 0 JJAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2cc(C(F)(F)F)on2)ccc1OC ZINC000033173518 524245503 /nfs/dbraw/zinc/24/55/03/524245503.db2.gz WFXIDQKCGIADAV-UHFFFAOYSA-N -1 0 462.833 4.832 50 0 JJAARM COc1ccccc1-c1[n-]n(-c2ccc(C)cc2)c(=O)c1C=C1NC(=O)N(Cc2ccccc2)C1=O ZINC000016534093 524281383 /nfs/dbraw/zinc/28/13/83/524281383.db2.gz PCYYZPOOLHPVIJ-KQWNVCNZSA-N -1 0 480.524 4.655 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2ccccc2-c2nc(-c3ccc(C)cc3)no2)cc1OC ZINC000033175596 524697224 /nfs/dbraw/zinc/69/72/24/524697224.db2.gz SICBOOIRHKPIFI-UHFFFAOYSA-N -1 0 451.504 4.530 50 0 JJAARM Cc1ccc(Cn2cc(Br)c([N-]S(=O)(=O)c3ccc(Br)s3)n2)cc1 ZINC000020367442 524773677 /nfs/dbraw/zinc/77/36/77/524773677.db2.gz MBBKNLGZPLLJCP-UHFFFAOYSA-N -1 0 491.230 4.627 50 0 JJAARM Cc1ccc(NC(=O)c2cc(NC(=O)c3ccccc3C(=O)[O-])ccc2N2CCOCC2)cc1Cl ZINC000016225524 525233312 /nfs/dbraw/zinc/23/33/12/525233312.db2.gz QGTQCPMQEVVALI-UHFFFAOYSA-N -1 0 493.947 4.688 50 0 JJAARM Cc1ccc([N-]S(=O)(=O)c2cc(NC(=O)Cc3ccc4c(c3)OCCO4)ccc2Cl)c(C)c1 ZINC000012508095 525300047 /nfs/dbraw/zinc/30/00/47/525300047.db2.gz UIPKMZANFYTVNX-UHFFFAOYSA-N -1 0 486.977 4.710 50 0 JJAARM Cc1ccccc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 ZINC000033253837 525333513 /nfs/dbraw/zinc/33/35/13/525333513.db2.gz PKFWLVAKHRMIPP-UHFFFAOYSA-N -1 0 464.587 4.953 50 0 JJAARM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4c(C)nn(C)c4C)cc3Cl)sc2c1 ZINC000033169079 525654342 /nfs/dbraw/zinc/65/43/42/525654342.db2.gz SLNAUIQDFIEJNW-UHFFFAOYSA-N -1 0 462.984 4.776 50 0 JJAARM Cc1c(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])c2ccccc2)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000002106470 525883015 /nfs/dbraw/zinc/88/30/15/525883015.db2.gz MELGNDPDEJSRDZ-DFBJGRDBSA-N -1 0 485.536 4.710 50 0 biogenic JJAARM Cc1ccc2[nH]cc(CCn3c(C)c4c(cc3=O)[n-]n(-c3nc5ccccc5s3)c4=O)c2c1 ZINC000012408327 526114299 /nfs/dbraw/zinc/11/42/99/526114299.db2.gz AXJJJEASGMKBOM-UHFFFAOYSA-N -1 0 455.543 4.795 50 0 JJAARM Cc1ccc(C(=O)Nc2nc3cc([N-]S(=O)(=O)c4cc(F)ccc4F)ccc3s2)cc1 ZINC000033116503 526228937 /nfs/dbraw/zinc/22/89/37/526228937.db2.gz ILKIZAUNAHURPS-UHFFFAOYSA-N -1 0 459.499 4.936 50 0 JJAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000020478352 526270670 /nfs/dbraw/zinc/27/06/70/526270670.db2.gz YTPZZZULCXTICZ-JKSUJKDBSA-N -1 0 471.362 4.624 50 0 JJAARM Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)c1)NC(=O)CCC2=O ZINC000033276573 526309715 /nfs/dbraw/zinc/30/97/15/526309715.db2.gz PXRDPQVUMINHPT-UHFFFAOYSA-N -1 0 486.981 4.809 50 0 JJAARM O=C([O-])c1cc(N2CCN(c3cccc(Cl)c3)CC2)ccc1NC(=O)Cc1cccs1 ZINC000045967734 526349166 /nfs/dbraw/zinc/34/91/66/526349166.db2.gz DLGQWDRTUBZEKX-UHFFFAOYSA-N -1 0 455.967 4.608 50 0 JJAARM O=C([O-])c1cc(NS(=O)(=O)c2ccccc2)ccc1N1CCC(Cc2ccccc2)CC1 ZINC000033253339 526354733 /nfs/dbraw/zinc/35/47/33/526354733.db2.gz ULDVEIKHECDWEF-UHFFFAOYSA-N -1 0 450.560 4.645 50 0 JJAARM O=C([O-])c1ccc(-n2cccc2/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000016429978 526359554 /nfs/dbraw/zinc/35/95/54/526359554.db2.gz XRUMUOQSQGYNJF-UNOMPAQXSA-N -1 0 481.917 4.504 50 0 JJAARM O=C([O-])c1cn(-c2nc(-c3ccc(Br)cc3)cs2)c2c(F)c(F)c(F)cc2c1=O ZINC000004502079 526401309 /nfs/dbraw/zinc/40/13/09/526401309.db2.gz TXRDAQWKWOPREP-UHFFFAOYSA-N -1 0 481.249 4.992 50 0 JJAARM O=C(NCc1ccc(F)cc1)Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000013349429 526673519 /nfs/dbraw/zinc/67/35/19/526673519.db2.gz OCPPEGAYDRHYFL-UHFFFAOYSA-N -1 0 456.524 4.558 50 0 JJAARM O=C(COc1ccccc1-c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000009951048 526987629 /nfs/dbraw/zinc/98/76/29/526987629.db2.gz VIPLKWXBBJOTIP-UHFFFAOYSA-N -1 0 465.556 4.628 50 0 JJAARM O=C1[N-]C(=O)[C@@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@H]32)C(=O)N1c1cccc(Cl)c1 ZINC000043729996 527046255 /nfs/dbraw/zinc/04/62/55/527046255.db2.gz MEMLXVXUIUMILA-HOFKKMOUSA-N -1 0 486.959 4.701 50 0 JJAARM Cc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000023156977 527206915 /nfs/dbraw/zinc/20/69/15/527206915.db2.gz PKWHZIXOEXUUQB-IBGZPJMESA-N -1 0 457.962 4.509 50 0 JJAARM O=S(=O)([N-]NC(=S)Nc1ccccc1C(F)(F)F)c1cc(Cl)c(Cl)cc1Cl ZINC000016346638 527235325 /nfs/dbraw/zinc/23/53/25/527235325.db2.gz KYVBKYHUMIQGSW-UHFFFAOYSA-N -1 0 478.732 4.846 50 0 JJAARM O=C([O-])C12C[C@H]3C[C@@H](C1)CC(n1ncc(Nc4ccc(Br)cc4)c(Cl)c1=O)(C3)C2 ZINC000016428688 527560492 /nfs/dbraw/zinc/56/04/92/527560492.db2.gz GDVYEBOEXHUCHS-GWEVUABKSA-N -1 0 478.774 4.783 50 0 JJAARM Cc1nn(C)c(C)c1CCCN(C)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1C(=O)[O-] ZINC000033253682 527621573 /nfs/dbraw/zinc/62/15/73/527621573.db2.gz WOHSGSSULAVVHB-UHFFFAOYSA-N -1 0 498.649 4.530 50 0 JJAARM Cc1cc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc(C)c1Cl ZINC000000702665 553761375 /nfs/dbraw/zinc/76/13/75/553761375.db2.gz BQVBDGYITQWVPT-AWEZNQCLSA-N -1 0 465.984 4.620 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(Br)c(C(=O)Nc2ccccc2)c1 ZINC000000826742 553788639 /nfs/dbraw/zinc/78/86/39/553788639.db2.gz UXLOEQYBVIRQRQ-UHFFFAOYSA-N -1 0 461.337 4.511 50 0 JJAARM Cc1cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc(C)c1Cl ZINC000000935635 553873267 /nfs/dbraw/zinc/87/32/67/553873267.db2.gz IHEZJOBFPZMEJJ-MRXNPFEDSA-N -1 0 459.955 4.559 50 0 JJAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000000940864 553876740 /nfs/dbraw/zinc/87/67/40/553876740.db2.gz KDEALOMWIZPGPX-UHFFFAOYSA-N -1 0 451.529 4.989 50 0 JJAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(-c4ccccc4)cc3)cc2)nc(C)n1 ZINC000000944190 553878434 /nfs/dbraw/zinc/87/84/34/553878434.db2.gz BHPHKDXUVUAJEI-UHFFFAOYSA-N -1 0 488.569 4.579 50 0 JJAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1ccccc1CCc1ccccc1 ZINC000000958035 553884565 /nfs/dbraw/zinc/88/45/65/553884565.db2.gz BEMVSDGIZXVTRO-UHFFFAOYSA-N -1 0 457.555 4.920 50 0 JJAARM COc1ccc(OC)c(C(=O)c2coc3cc(Br)c([O-])c(Br)c32)c1 ZINC000000978589 553889931 /nfs/dbraw/zinc/88/99/31/553889931.db2.gz XQNBUHPDDQOICT-UHFFFAOYSA-N -1 0 456.086 4.912 50 0 JJAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc(O)cc1)c1ccc(Br)cc1 ZINC000001226923 553936319 /nfs/dbraw/zinc/93/63/19/553936319.db2.gz UYVDRCZISJKAGV-UHFFFAOYSA-N -1 0 471.336 4.642 50 0 JJAARM Cc1cc([N-]S(=O)(=O)c2ccc(Nc3nc(-c4c(C)nc5ccccn54)cs3)cc2)no1 ZINC000001895753 554001051 /nfs/dbraw/zinc/00/10/51/554001051.db2.gz AJCLZYJOVSRJKZ-UHFFFAOYSA-N -1 0 466.548 4.607 50 0 JJAARM Cc1oc2c(cc3c(C)c(CC(=O)N[C@@H](Cc4ccc(Cl)cc4)C(=O)[O-])c(=O)oc3c2C)c1C ZINC000002096994 554041093 /nfs/dbraw/zinc/04/10/93/554041093.db2.gz UCEJHYIZTPOBNE-NRFANRHFSA-N -1 0 481.932 4.781 50 0 biogenic JJAARM CCOc1cc2c(cc1OCC)[C@H](c1ccc(OC)cc1)N(c1ccc(C(=O)[O-])cc1)C(=O)C2 ZINC000002104027 554044627 /nfs/dbraw/zinc/04/46/27/554044627.db2.gz DDUXLSHPLFYPDL-SANMLTNESA-N -1 0 461.514 4.870 50 0 biogenic JJAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCCCCC(=O)[O-])occ3-c1ccc(F)cc1 ZINC000002114465 554052886 /nfs/dbraw/zinc/05/28/86/554052886.db2.gz QZZSPXZEAVNSHD-UHFFFAOYSA-N -1 0 465.477 4.957 50 0 biogenic JJAARM CCC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(F)cc1)C(=O)[O-] ZINC000002120183 554055329 /nfs/dbraw/zinc/05/53/29/554055329.db2.gz MXCNHLYXINJPEO-HXUWFJFHSA-N -1 0 451.450 4.566 50 0 biogenic JJAARM CCC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(F)cc1)C(=O)[O-] ZINC000002120181 554055342 /nfs/dbraw/zinc/05/53/42/554055342.db2.gz MXCNHLYXINJPEO-FQEVSTJZSA-N -1 0 451.450 4.566 50 0 biogenic JJAARM CSC[C@H](NC(=O)Cc1c(C)c2cc3c(-c4ccc(Cl)cc4)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002122350 554056553 /nfs/dbraw/zinc/05/65/53/554056553.db2.gz GUKIGDKWWYZUDY-FQEVSTJZSA-N -1 0 499.972 4.951 50 0 biogenic JJAARM CCCCCCc1c(C)c2ccc(OCC(=O)N[C@H](C(=O)[O-])c3ccccc3)cc2oc1=O ZINC000002151747 554070240 /nfs/dbraw/zinc/07/02/40/554070240.db2.gz SOMODUIHNYEFNG-DEOSSOPVSA-N -1 0 451.519 4.545 50 0 biogenic JJAARM Cc1c2oc3c(c2cc2c(C)c(CC(=O)N[C@@H](C(=O)[O-])c4ccccc4)c(=O)oc12)CCCC3 ZINC000002156681 554072871 /nfs/dbraw/zinc/07/28/71/554072871.db2.gz NXVLRWFMIUGDMQ-HSZRJFAPSA-N -1 0 459.498 4.519 50 0 biogenic JJAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 ZINC000002272087 554127581 /nfs/dbraw/zinc/12/75/81/554127581.db2.gz WYBXZVJGRKCXPJ-UHFFFAOYSA-N -1 0 468.922 4.599 50 0 JJAARM O=C([O-])c1ccc(NC(=O)CSc2nnc(-c3ccc4ccccc4n3)n2-c2ccccc2)cc1 ZINC000002338385 554155247 /nfs/dbraw/zinc/15/52/47/554155247.db2.gz SKHIHNHIQPWOOX-UHFFFAOYSA-N -1 0 481.537 4.912 50 0 JJAARM CCOC(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000002421415 554198418 /nfs/dbraw/zinc/19/84/18/554198418.db2.gz YEMLKQRVJIQDCP-UHFFFAOYSA-N -1 0 476.558 4.968 50 0 JJAARM O=C(Nc1ccc2c(c1)OCO2)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)c(Cl)cc1Cl ZINC000002627270 554250699 /nfs/dbraw/zinc/25/06/99/554250699.db2.gz HABHEMFKKCLBLC-UHFFFAOYSA-N -1 0 483.304 4.914 50 0 JJAARM Cc1cc(=O)oc2cc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(Cl)s3)ccc12 ZINC000002633374 554254399 /nfs/dbraw/zinc/25/43/99/554254399.db2.gz KTDVWSFPLLORNH-UHFFFAOYSA-N -1 0 474.947 4.869 50 0 JJAARM Cc1cc(C)n(Cn2ccc(-c3nnc([N-]c4ccn(Cc5c(F)cccc5Cl)n4)s3)n2)n1 ZINC000002731636 554315877 /nfs/dbraw/zinc/31/58/77/554315877.db2.gz BQGIYSJQGGFOTJ-UHFFFAOYSA-N -1 0 483.964 4.502 50 0 JJAARM CCCOc1c(Cl)cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)cc1Cl ZINC000002851608 554379665 /nfs/dbraw/zinc/37/96/65/554379665.db2.gz IZUZCZUCWLVMKH-UHFFFAOYSA-N -1 0 495.388 4.934 50 0 JJAARM COc1ccccc1CNC(=O)c1ccc2c(c1)[n-]c(=S)n(CCc1c[nH]c3ccccc13)c2=O ZINC000002970245 554414105 /nfs/dbraw/zinc/41/41/05/554414105.db2.gz GFVKTWQCJRXIMJ-UHFFFAOYSA-N -1 0 484.581 4.722 50 0 JJAARM O=C(CCCn1c(=O)c2cc(Br)ccc2[n-]c1=S)NCc1ccc(Cl)cc1 ZINC000002973742 554414555 /nfs/dbraw/zinc/41/45/55/554414555.db2.gz VLACUSMOOQCLID-UHFFFAOYSA-N -1 0 466.788 4.572 50 0 JJAARM O=C(c1ccc2c(=O)n(CCC3=CCCCC3)c(=S)[n-]c2c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000003052010 554424729 /nfs/dbraw/zinc/42/47/29/554424729.db2.gz TUIKZSPRULZRJT-UHFFFAOYSA-N -1 0 492.620 4.677 50 0 JJAARM CN(Cc1ccccc1)C(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1cccc(Br)c1)c2=O ZINC000003630300 554467331 /nfs/dbraw/zinc/46/73/31/554467331.db2.gz GEOIFEDYVLOGBB-UHFFFAOYSA-N -1 0 494.414 4.768 50 0 JJAARM O=C(NCCc1ccc(Cl)cc1)c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O ZINC000003631250 554467996 /nfs/dbraw/zinc/46/79/96/554467996.db2.gz NZBBOAVSBVVOII-UHFFFAOYSA-N -1 0 463.990 4.928 50 0 JJAARM Cc1ccc(CN2C(=O)NC(=Cc3c(=O)n(-c4ccccc4)[n-]c3-c3ccccc3)C2=O)cc1 ZINC000004239705 554476317 /nfs/dbraw/zinc/47/63/17/554476317.db2.gz NKKLTJXWQLDLDO-KQWNVCNZSA-N -1 0 450.498 4.646 50 0 JJAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)n1 ZINC000006023835 554500551 /nfs/dbraw/zinc/50/05/51/554500551.db2.gz AXFDJZDPQJWOKV-YCRREMRBSA-N -1 0 463.346 4.545 50 0 JJAARM CCOc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(S(=O)(=O)[N-]C(C)=O)cc1)C(C)(C)N2 ZINC000008432143 554585268 /nfs/dbraw/zinc/58/52/68/554585268.db2.gz IVYOGMVVURIHSH-LNVKXUELSA-N -1 0 489.644 4.593 50 0 JJAARM CCCOc1ccc(N(C(=O)c2ccco2)C2=C([O-])N(c3ccc(OCCC)cc3)C(=O)C2)cc1 ZINC000008763720 554664243 /nfs/dbraw/zinc/66/42/43/554664243.db2.gz ZNQFHBJZJVSAPN-QHCPKHFHSA-N -1 0 476.529 4.836 50 0 JJAARM CCc1cc2c(cc1O[C@H](C)C(=O)NCC1CCC(C(=O)[O-])CC1)oc(=O)cc2-c1ccccc1 ZINC000008789198 554681473 /nfs/dbraw/zinc/68/14/73/554681473.db2.gz BLKPFCUMGVQKSL-MPQSDHOMSA-N -1 0 477.557 4.797 50 0 biogenic JJAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2Cc1ccccc1 ZINC000008840690 554740089 /nfs/dbraw/zinc/74/00/89/554740089.db2.gz PYLSCCRZLZJPSH-UHFFFAOYSA-N -1 0 456.951 4.629 50 0 JJAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2Cc1ccccc1 ZINC000008840662 554740127 /nfs/dbraw/zinc/74/01/27/554740127.db2.gz SKUSKBWGQSJXIS-UHFFFAOYSA-N -1 0 450.560 4.592 50 0 JJAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3coc4c3ccc(C)c4C)cc2)c1C ZINC000008845861 554743957 /nfs/dbraw/zinc/74/39/57/554743957.db2.gz BFTUIRBZHNGKCP-UHFFFAOYSA-N -1 0 453.520 4.636 50 0 JJAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cc4ccc(C)cc4nc3Cl)C2)cc1OC ZINC000009042175 554869183 /nfs/dbraw/zinc/86/91/83/554869183.db2.gz BFFOVBITBFQCDA-HXUWFJFHSA-N -1 0 481.936 4.756 50 0 JJAARM Cc1ccc(NC(=O)CSC2=NC(=O)C(C(c3ccccc3)c3ccccc3)C([O-])=N2)cc1 ZINC000009057639 554876737 /nfs/dbraw/zinc/87/67/37/554876737.db2.gz BWRGZNKYMOJKJI-UHFFFAOYSA-N -1 0 457.555 4.695 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=S)NCc2ccccc2)ccc1Cl ZINC000009097046 554895898 /nfs/dbraw/zinc/89/58/98/554895898.db2.gz AVAQEHNYPDMBIK-UHFFFAOYSA-N -1 0 461.996 4.636 50 0 JJAARM CC(C)CCN1c2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2OCC(C)(C)C1=O ZINC000009169442 554952899 /nfs/dbraw/zinc/95/28/99/554952899.db2.gz NGCLJWWHTDPLEB-UHFFFAOYSA-N -1 0 452.523 4.563 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)NC2CCCCC2)ccc1N1CCCC1 ZINC000009183534 554955785 /nfs/dbraw/zinc/95/57/85/554955785.db2.gz FGSQHWNAAQOJJZ-UHFFFAOYSA-N -1 0 472.611 4.550 50 0 JJAARM CC(=O)Nc1ccc(Sc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000009224141 554995282 /nfs/dbraw/zinc/99/52/82/554995282.db2.gz VKOWDKWLVPCMFE-UHFFFAOYSA-N -1 0 486.525 4.818 50 0 JJAARM CCOc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000009260591 555035228 /nfs/dbraw/zinc/03/52/28/555035228.db2.gz HLWYCMJSTZVGHB-GIDUJCDVSA-N -1 0 486.149 4.914 50 0 JJAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4c(cccc4F)s3)cc2)nc(C)n1 ZINC000009349327 555116283 /nfs/dbraw/zinc/11/62/83/555116283.db2.gz IQSCCXQXEGYMFD-UHFFFAOYSA-N -1 0 456.524 4.500 50 0 JJAARM O=C(NCc1n[n-]c(=S)n1-c1ccc(Br)cc1)c1ccc(Cl)cc1Cl ZINC000009368561 555131583 /nfs/dbraw/zinc/13/15/83/555131583.db2.gz ZIYXHCHMSMINCW-UHFFFAOYSA-N -1 0 458.168 4.929 50 0 JJAARM COC(=O)c1ccc(OC)c(CSc2nc3c(sc(=S)n3-c3ccccc3)c(=O)[n-]2)c1 ZINC000009411120 555178316 /nfs/dbraw/zinc/17/83/16/555178316.db2.gz XFSDOPDREFSGHA-UHFFFAOYSA-N -1 0 471.585 4.592 50 0 JJAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCC[C@@H](C(=O)[O-])C1)occ3-c1ccc(F)cc1 ZINC000009418841 555185889 /nfs/dbraw/zinc/18/58/89/555185889.db2.gz APMUWOKHMJRLCA-MRXNPFEDSA-N -1 0 463.461 4.519 50 0 JJAARM COc1ccc(C(=O)NCc2ccccn2)cc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)cc1 ZINC000009468024 555246662 /nfs/dbraw/zinc/24/66/62/555246662.db2.gz BIGOWJPKJQZINE-UHFFFAOYSA-N -1 0 489.553 4.613 50 0 JJAARM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000009468188 555247263 /nfs/dbraw/zinc/24/72/63/555247263.db2.gz KYUSZDFVDRIETB-UHFFFAOYSA-N -1 0 492.941 4.952 50 0 JJAARM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CCC(=O)N3CCC[C@@H](C(=O)[O-])C3)c(=O)oc12 ZINC000009481528 555261020 /nfs/dbraw/zinc/26/10/20/555261020.db2.gz RKYPFIYEQYQXCK-MRXNPFEDSA-N -1 0 453.535 4.709 50 0 JJAARM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc4ncsc4c3)ccc2OC)cc1 ZINC000009539433 555330891 /nfs/dbraw/zinc/33/08/91/555330891.db2.gz UIEIZLYAKFQRQW-UHFFFAOYSA-N -1 0 483.571 4.757 50 0 JJAARM Cc1nc2c3c(nn2c(C)c1CCC(=O)[O-])nc(N1CCCC1)nc3-c1ccc(C(C)C)cc1 ZINC000009560309 555356578 /nfs/dbraw/zinc/35/65/78/555356578.db2.gz PXWRUDBMFNAHTK-UHFFFAOYSA-N -1 0 458.566 4.697 50 0 JJAARM CCNc1cc(C)nc(Nc2ccc([N-]S(=O)(=O)c3cc(OCC)ccc3OCC)cc2)n1 ZINC000009572467 555369246 /nfs/dbraw/zinc/36/92/46/555369246.db2.gz ZMUUPOAVAQQRGV-UHFFFAOYSA-N -1 0 471.583 4.559 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3cc(NC(=O)NCc4ccccc4)ccc3s2)cc1 ZINC000013347525 555377868 /nfs/dbraw/zinc/37/78/68/555377868.db2.gz RJEWDEAAWBVORS-UHFFFAOYSA-N -1 0 452.561 4.727 50 0 JJAARM O=C([O-])c1ccc(CSc2nc3sc4c(c3c(=O)n2Cc2ccco2)CCCC4)cc1 ZINC000013363501 555388138 /nfs/dbraw/zinc/38/81/38/555388138.db2.gz FWOTYGKCTLLNSI-UHFFFAOYSA-N -1 0 452.557 4.969 50 0 JJAARM CCOc1ccc(NS(=O)(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(Cl)s3)c2)cc1 ZINC000009672368 555394427 /nfs/dbraw/zinc/39/44/27/555394427.db2.gz DLFYDKITZWSVNB-UHFFFAOYSA-N -1 0 487.024 4.710 50 0 JJAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1ncnc2scc(-c3ccccc3)c21 ZINC000013416576 555397149 /nfs/dbraw/zinc/39/71/49/555397149.db2.gz UBFBRPMMTCJFDT-FQEVSTJZSA-N -1 0 488.594 4.744 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(C)s2)ccc1N1CCCC1 ZINC000009590978 555404022 /nfs/dbraw/zinc/40/40/22/555404022.db2.gz AURDWCRTPMIOJV-UHFFFAOYSA-N -1 0 471.604 4.718 50 0 JJAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3COc3ccccc3)cc2)n1 ZINC000009783474 555504822 /nfs/dbraw/zinc/50/48/22/555504822.db2.gz LMQPVOWNYGFEJE-UHFFFAOYSA-N -1 0 488.569 4.726 50 0 JJAARM C/C(=C/C(=O)Nc1ccc(S[C@@H](C(=O)Nc2nccs2)c2ccccc2)cc1)C(=O)[O-] ZINC000013579365 555518532 /nfs/dbraw/zinc/51/85/32/555518532.db2.gz WXPIKZJQSQJDFL-FNDLEWIFSA-N -1 0 453.545 4.585 50 0 JJAARM Cc1cc([O-])c(C2=Nc3c(C(=O)Nc4ccc(Cl)cc4)cnn3[C@H](c3ccc(O)cc3)C2)c(=O)o1 ZINC000013607565 555531635 /nfs/dbraw/zinc/53/16/35/555531635.db2.gz PSSXIEGULLEJIJ-FQEVSTJZSA-N -1 0 490.903 4.576 50 0 JJAARM O=C(NCCc1c[nH]c2ccccc12)c1ccc2nc([N-]S(=O)(=O)c3ccc(F)cc3)sc2c1 ZINC000013683293 555576826 /nfs/dbraw/zinc/57/68/26/555576826.db2.gz NRCGBRLLHFECGA-UHFFFAOYSA-N -1 0 494.573 4.690 50 0 JJAARM O=C(c1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)sc2c1)N1CCc2ccccc21 ZINC000013690402 555584172 /nfs/dbraw/zinc/58/41/72/555584172.db2.gz WANGIIMLLIQJQE-UHFFFAOYSA-N -1 0 469.975 4.953 50 0 JJAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccc(C(=O)Nc4cccc(C(C)=O)c4)cc3s2)cc1 ZINC000013721629 555597188 /nfs/dbraw/zinc/59/71/88/555597188.db2.gz MJRILUAXWILPNF-UHFFFAOYSA-N -1 0 481.555 4.561 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Sc3ccc(C)cc3)cc2)c(OC)c1 ZINC000010034894 555601879 /nfs/dbraw/zinc/60/18/79/555601879.db2.gz GXWZBVSLGOJQET-KRWDZBQOSA-N -1 0 486.615 4.932 50 0 JJAARM O=C([O-])c1cccc(-n2cccc2/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c1 ZINC000010059757 555610499 /nfs/dbraw/zinc/61/04/99/555610499.db2.gz HBKTZTBBNWXIFR-XDHOZWIPSA-N -1 0 481.917 4.504 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(Br)cc2F)cc1 ZINC000013896682 555643870 /nfs/dbraw/zinc/64/38/70/555643870.db2.gz CQEJNBHFCGQFDV-UHFFFAOYSA-N -1 0 463.328 4.950 50 0 JJAARM COc1cc(/C=C2\NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000014009443 555669384 /nfs/dbraw/zinc/66/93/84/555669384.db2.gz CQGBQSTZEGOPRJ-NDENLUEZSA-N -1 0 478.888 4.723 50 0 JJAARM CC(=O)NCc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Oc2ccc(C)cc2)s1 ZINC000014189589 555728272 /nfs/dbraw/zinc/72/82/72/555728272.db2.gz VLWYWCFNUBBHBF-UHFFFAOYSA-N -1 0 450.969 4.939 50 0 JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(Cc4ccc(C(=O)NCc5ccc(F)cc5)cc4)c3=O)c2c1 ZINC000020331177 555776269 /nfs/dbraw/zinc/77/62/69/555776269.db2.gz LLDWFFKZEJQWTH-UHFFFAOYSA-N -1 0 488.544 4.666 50 0 JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)N[C@H](C)CCc4ccccc4)c3=O)c2c1 ZINC000020331458 555776550 /nfs/dbraw/zinc/77/65/50/555776550.db2.gz OVIXORZEOKWERS-QGZVFWFLSA-N -1 0 478.618 4.857 50 0 JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)N[C@@H](C)CCc4ccccc4)c3=O)c2c1 ZINC000020331454 555776558 /nfs/dbraw/zinc/77/65/58/555776558.db2.gz OVIXORZEOKWERS-KRWDZBQOSA-N -1 0 478.618 4.857 50 0 JJAARM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000014504644 555815435 /nfs/dbraw/zinc/81/54/35/555815435.db2.gz XZNYUZJEAVZJLN-UHFFFAOYSA-N -1 0 495.608 4.677 50 0 JJAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@H](CC(C)C)C(=O)[O-])occ3-c1ccc(F)cc1 ZINC000011865549 555840310 /nfs/dbraw/zinc/84/03/10/555840310.db2.gz VNTVTULYCAZUQI-OAQYLSRUSA-N -1 0 465.477 4.812 50 0 JJAARM CC[C@H](C)[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(C)cc1)C(=O)[O-] ZINC000011865571 555840561 /nfs/dbraw/zinc/84/05/61/555840561.db2.gz 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ZINC000028292409 556328860 /nfs/dbraw/zinc/32/88/60/556328860.db2.gz MUKQUHKXDIKZPM-UHFFFAOYSA-N -1 0 458.337 4.790 50 0 JJAARM Cc1ccc(-c2cc(C(=O)[N-]c3nc(-c4ccc(I)o4)ns3)no2)cc1 ZINC000028403271 556332661 /nfs/dbraw/zinc/33/26/61/556332661.db2.gz ANVQIHDJBYVFHG-UHFFFAOYSA-N -1 0 478.271 4.618 50 0 JJAARM Cc1ccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)[n-]2)cc1 ZINC000032948423 556563634 /nfs/dbraw/zinc/56/36/34/556563634.db2.gz CGOXQMCBYNWKSI-UHFFFAOYSA-N -1 0 454.602 4.852 50 0 JJAARM Cc1cccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)[n-]2)c1 ZINC000032948439 556563945 /nfs/dbraw/zinc/56/39/45/556563945.db2.gz PDGTUJCWSZXIKP-UHFFFAOYSA-N -1 0 454.602 4.852 50 0 JJAARM CCOc1ccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)[n-]2)cc1 ZINC000032948463 556564002 /nfs/dbraw/zinc/56/40/02/556564002.db2.gz UEXXQJXUFFTSEM-UHFFFAOYSA-N -1 0 484.628 4.943 50 0 JJAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)[nH]n2)cc1 ZINC000032951060 556566704 /nfs/dbraw/zinc/56/67/04/556566704.db2.gz SLIVJGKAGITJJK-UHFFFAOYSA-N -1 0 478.530 4.654 50 0 JJAARM Cc1cc(C)cc(S(=O)(=O)Nc2ccc(N3CCN(c4cccc(C)c4C)CC3)c(C(=O)[O-])c2)c1 ZINC000032961635 556578352 /nfs/dbraw/zinc/57/83/52/556578352.db2.gz VUXRNNYAZAUXDR-UHFFFAOYSA-N -1 0 493.629 4.746 50 0 JJAARM Cc1ccc(C)c(N2CCN(c3ccc(NS(=O)(=O)c4cc(C)cc(C)c4)cc3C(=O)[O-])CC2)c1 ZINC000032961641 556578449 /nfs/dbraw/zinc/57/84/49/556578449.db2.gz ZBZZEOHOOVLKAQ-UHFFFAOYSA-N -1 0 493.629 4.746 50 0 JJAARM Cc1ccc(C)c(N2CCN(c3ccc(NS(=O)(=O)c4cc(C)ccc4C)cc3C(=O)[O-])CC2)c1 ZINC000032961636 556578511 /nfs/dbraw/zinc/57/85/11/556578511.db2.gz RCXCHCRBRLODGK-UHFFFAOYSA-N -1 0 493.629 4.746 50 0 JJAARM Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(c3ccc(F)cc3)CC2)cc1C ZINC000032961913 556579754 /nfs/dbraw/zinc/57/97/54/556579754.db2.gz RSAMWUKTZSELOW-UHFFFAOYSA-N -1 0 497.592 4.577 50 0 JJAARM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccco4)c3[C@@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000008595824 562944229 /nfs/dbraw/zinc/94/42/29/562944229.db2.gz 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464.953 4.652 50 0 JJAARM Cc1ccc(Sc2cc3c(cc2[N-]S(=O)(=O)c2cc(C)cc(C)c2)n(C)c(=O)n3C)cc1 ZINC000064580871 569620738 /nfs/dbraw/zinc/62/07/38/569620738.db2.gz MWLDFFSJNHTRND-UHFFFAOYSA-N -1 0 467.616 4.754 50 0 JJAARM O=C([O-])c1cc(N2CCN(c3ccccc3Cl)CC2)ccc1NC(=O)c1ccc(F)cc1 ZINC000064589458 569620949 /nfs/dbraw/zinc/62/09/49/569620949.db2.gz WCRMXUPNXUIIKJ-UHFFFAOYSA-N -1 0 453.901 4.756 50 0 JJAARM CCOc1ccccc1N1CCN(c2ccc(NC(=O)c3ccccc3F)c(C(=O)[O-])c2)CC1 ZINC000064589520 569621049 /nfs/dbraw/zinc/62/10/49/569621049.db2.gz RBSRVVVTVPYBIJ-UHFFFAOYSA-N -1 0 463.509 4.502 50 0 JJAARM O=C([O-])c1cc(N2CCN(c3ccccc3)CC2)ccc1NC(=O)c1ccc(Br)cc1 ZINC000064590108 569621087 /nfs/dbraw/zinc/62/10/87/569621087.db2.gz BWHKSAONIJNKCM-UHFFFAOYSA-N -1 0 480.362 4.726 50 0 JJAARM Cc1cccn2c(=O)cc(CSc3ccccc3[N-]S(=O)(=O)c3ccc(Cl)s3)nc12 ZINC000033026300 569621102 /nfs/dbraw/zinc/62/11/02/569621102.db2.gz MPXOIMRNFYBLEU-UHFFFAOYSA-N -1 0 478.020 4.811 50 0 JJAARM COc1ccc(C(=O)Nc2ccc(N3CCN(c4ccccc4Cl)CC3)cc2C(=O)[O-])cc1 ZINC000064590238 569621249 /nfs/dbraw/zinc/62/12/49/569621249.db2.gz ZQLLFVDNKTWAND-UHFFFAOYSA-N -1 0 465.937 4.626 50 0 JJAARM Cc1cccc(N2CCN(c3ccc(NS(=O)(=O)c4ccccc4C)cc3C(=O)[O-])C[C@H]2C)c1 ZINC000033253542 569621904 /nfs/dbraw/zinc/62/19/04/569621904.db2.gz DDBHTJLOJGPUES-HXUWFJFHSA-N -1 0 479.602 4.518 50 0 JJAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)c1C ZINC000064591908 569622073 /nfs/dbraw/zinc/62/20/73/569622073.db2.gz KZEBLHXTIHKFFQ-UHFFFAOYSA-N -1 0 465.575 4.704 50 0 JJAARM COc1ccc(Oc2cc3c(cc2[N-]S(=O)(=O)c2ccc(CC(C)C)cc2)n(C)c(=O)n3C)cc1 ZINC000064591914 569622127 /nfs/dbraw/zinc/62/21/27/569622127.db2.gz XGRASZZDPUIDFQ-UHFFFAOYSA-N -1 0 495.601 4.677 50 0 JJAARM Cc1noc(/C=C/c2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)s2)c1NC(=O)C1CC1 ZINC000033306623 569622550 /nfs/dbraw/zinc/62/25/50/569622550.db2.gz OBQLACRRUXQSNO-CSKARUKUSA-N -1 0 457.577 4.981 50 0 JJAARM CCOc1ccc([N-]S(=O)(=O)c2ccc(/C=C/c3onc(C)c3NC(=O)C3CC3)s2)cc1 ZINC000033306615 569622621 /nfs/dbraw/zinc/62/26/21/569622621.db2.gz UABGFXJGOXLTET-ZRDIBKRKSA-N -1 0 473.576 4.763 50 0 JJAARM Cc1noc(/C=C/c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)s2)c1NC(=O)C1CC1 ZINC000033306629 569622634 /nfs/dbraw/zinc/62/26/34/569622634.db2.gz HIVANRCIEYFKHA-CSKARUKUSA-N -1 0 457.577 4.981 50 0 JJAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(S[C@@H](C)C(=O)Nc2cc(C)ccc2C)[n-]c1=O ZINC000064774535 569626580 /nfs/dbraw/zinc/62/65/80/569626580.db2.gz KAWVDMRUPRXWCJ-INIZCTEOSA-N -1 0 465.579 4.556 50 0 JJAARM Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2NC(=O)C(C)C)c(=O)[n-]1 ZINC000064774565 569626705 /nfs/dbraw/zinc/62/67/05/569626705.db2.gz KJLHNRHPFDHSCU-UHFFFAOYSA-N -1 0 471.970 4.531 50 0 JJAARM Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3NC(=O)C(C)C)c(=O)[n-]2)c(C)c1 ZINC000064774623 569626865 /nfs/dbraw/zinc/62/68/65/569626865.db2.gz OFKHVTNPZFZCCU-MRXNPFEDSA-N -1 0 465.579 4.575 50 0 JJAARM COc1cc(OC)c([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)cc1OC ZINC000064797382 569630388 /nfs/dbraw/zinc/63/03/88/569630388.db2.gz GOETZAKCSFQFCL-CQSZACIVSA-N -1 0 457.479 4.752 50 0 JJAARM CCn1nc(C)c(CCN(C)c2ccc(C(=O)[O-])cc2NC(=O)c2cccc(Cl)c2)c1C ZINC000064820764 569636146 /nfs/dbraw/zinc/63/61/46/569636146.db2.gz DCQGPOWAERGDFR-UHFFFAOYSA-N -1 0 454.958 4.803 50 0 JJAARM Cc1noc(C)c1CCN(C)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Br)cc1 ZINC000064820722 569636204 /nfs/dbraw/zinc/63/62/04/569636204.db2.gz QZLFDRWWOMYAKJ-UHFFFAOYSA-N -1 0 472.339 4.683 50 0 JJAARM Cc1nn(C)c(C)c1CCCN(C)c1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Cl)cc1 ZINC000064820366 569636226 /nfs/dbraw/zinc/63/62/26/569636226.db2.gz DJOIPNFEQPJUPM-UHFFFAOYSA-N -1 0 454.958 4.710 50 0 JJAARM Cc1ccc(C)c(S(=O)(=O)Nc2cnc(N3CCC(Cc4ccccc4)CC3)c(C(=O)[O-])c2)c1 ZINC000064843207 569637801 /nfs/dbraw/zinc/63/78/01/569637801.db2.gz FVEVARZNFPSBPD-UHFFFAOYSA-N -1 0 479.602 4.657 50 0 JJAARM CCCCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2cc(F)ccc2C)cc1C(=O)[O-] ZINC000064843404 569637918 /nfs/dbraw/zinc/63/79/18/569637918.db2.gz WXQYJQIUZPFTET-UHFFFAOYSA-N -1 0 471.554 4.835 50 0 JJAARM CCCCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1C(=O)[O-] ZINC000064843415 569637970 /nfs/dbraw/zinc/63/79/70/569637970.db2.gz IRESAKUDFDVAGJ-UHFFFAOYSA-N -1 0 481.574 4.590 50 0 JJAARM CCCCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000065059909 569655083 /nfs/dbraw/zinc/65/50/83/569655083.db2.gz SIWNJCWCZSTFHQ-UHFFFAOYSA-N -1 0 465.984 4.920 50 0 JJAARM CCCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2)nc1 ZINC000065063465 569656652 /nfs/dbraw/zinc/65/66/52/569656652.db2.gz XXJXPNRTRWLUTR-UHFFFAOYSA-N -1 0 496.408 4.639 50 0 JJAARM CC(C)NC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000065074591 569657160 /nfs/dbraw/zinc/65/71/60/569657160.db2.gz UPZMXHHWZNBFCP-UHFFFAOYSA-N -1 0 451.957 4.528 50 0 JJAARM COc1cccc(COc2ccc(-c3nnc(CCC(=O)N[C@H](C)c4ccccc4)c(=O)[n-]3)cc2)c1 ZINC000034763194 569658067 /nfs/dbraw/zinc/65/80/67/569658067.db2.gz DJMCNQFVJCMDLK-LJQANCHMSA-N -1 0 484.556 4.642 50 0 JJAARM CCc1cccc([N-]S(=O)(=O)c2cc(-c3nc(C)c(C(=O)N4CCCC4)s3)cs2)c1 ZINC000065116979 569666867 /nfs/dbraw/zinc/66/68/67/569666867.db2.gz MOZCFZJFQPBWOD-UHFFFAOYSA-N -1 0 461.634 4.779 50 0 JJAARM CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(C)c(C(=O)N3CCCC3)s2)cs1 ZINC000065116882 569666926 /nfs/dbraw/zinc/66/69/26/569666926.db2.gz DHGJNKKJOOJISG-UHFFFAOYSA-N -1 0 461.634 4.779 50 0 JJAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccccc3C(F)(F)F)cn2C)sc1C(=O)N1CCCC1 ZINC000065137360 569668061 /nfs/dbraw/zinc/66/80/61/569668061.db2.gz GSNSPDWRKYBRFY-UHFFFAOYSA-N -1 0 498.552 4.513 50 0 JJAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cn2C)sc1C(=O)N1CCCCC1 ZINC000065137475 569668387 /nfs/dbraw/zinc/66/83/87/569668387.db2.gz USXGBXVIWKTLMM-UHFFFAOYSA-N -1 0 493.054 4.846 50 0 JJAARM O=C(Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)Nc1cc(F)ccc1N1CCCCC1 ZINC000065591126 569676329 /nfs/dbraw/zinc/67/63/29/569676329.db2.gz KEBVFJFVGFCOFD-UHFFFAOYSA-N -1 0 473.595 4.860 50 0 JJAARM O=C([O-])c1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4Cl)[C@H]3C2=O)cc1 ZINC000035351704 569681769 /nfs/dbraw/zinc/68/17/69/569681769.db2.gz KJZMNYXRTYALDE-NJDAHSKKSA-N -1 0 483.307 4.743 50 0 JJAARM CCC(=O)Nc1ccccc1-c1nnc(S[C@H](CC)C(=O)Nc2ccc(Cl)cc2)[n-]c1=O ZINC000035377960 569685509 /nfs/dbraw/zinc/68/55/09/569685509.db2.gz YCHYCWUQAMFAQU-QGZVFWFLSA-N -1 0 471.970 4.756 50 0 JJAARM Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3NC(=O)c3ccccc3)c(=O)[n-]2)c1 ZINC000035378068 569685890 /nfs/dbraw/zinc/68/58/90/569685890.db2.gz ORTIMARAMWJPEA-UHFFFAOYSA-N -1 0 471.542 4.536 50 0 JJAARM O=C([O-])c1cc(NS(=O)(=O)c2ccccc2)cnc1N(Cc1ccccc1)Cc1ccccc1 ZINC000035397369 569688096 /nfs/dbraw/zinc/68/80/96/569688096.db2.gz XVMCWYDRAYFTFJ-UHFFFAOYSA-N -1 0 473.554 4.787 50 0 JJAARM O=C([O-])c1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cnc1N1CCCCCCC1 ZINC000035397619 569688285 /nfs/dbraw/zinc/68/82/85/569688285.db2.gz MQRYYMYZCQGNSQ-UHFFFAOYSA-N -1 0 458.367 4.658 50 0 JJAARM O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000069740036 569693581 /nfs/dbraw/zinc/69/35/81/569693581.db2.gz VZXCPVSEBKBRLW-UHFFFAOYSA-N -1 0 479.341 4.818 50 0 JJAARM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3coc5ccccc5c3=O)CC(=O)O4)c2=O)cc1 ZINC000085875216 569715617 /nfs/dbraw/zinc/71/56/17/569715617.db2.gz GCKWCFLASNUINY-KRWDZBQOSA-N -1 0 482.444 4.722 50 0 biogenic JJAARM COc1cc(OC)c([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccccc5)oc4c32)cc1OC ZINC000096114048 569733124 /nfs/dbraw/zinc/73/31/24/569733124.db2.gz PAFDTEPYORNILQ-MRXNPFEDSA-N -1 0 474.465 4.632 50 0 biogenic JJAARM COc1cc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(O)cc5)coc4c32)ccc1OC(F)F ZINC000096114527 569733644 /nfs/dbraw/zinc/73/36/44/569733644.db2.gz VGHGICDIZBAISC-OAHLLOKOSA-N -1 0 496.418 4.922 50 0 biogenic JJAARM O=C1C[C@@H](c2cc3c(c(Cl)c2)OCO3)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096114794 569733817 /nfs/dbraw/zinc/73/38/17/569733817.db2.gz VWSNAYWQTJQIKT-AWEZNQCLSA-N -1 0 478.840 4.694 50 0 biogenic JJAARM COC(=O)C[C@@H](c1ccc(F)c(F)c1F)c1c(=O)cc([O-])c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096117395 569735772 /nfs/dbraw/zinc/73/57/72/569735772.db2.gz GHXAKZKTWSJJHC-AWEZNQCLSA-N -1 0 470.399 4.984 50 0 JJAARM COC(=O)C[C@H](c1cc2ccc(C)cc2[nH]c1=O)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096221471 569738805 /nfs/dbraw/zinc/73/88/05/569738805.db2.gz WQLNYSJOPXOKPK-HXUWFJFHSA-N -1 0 497.503 4.716 50 0 biogenic JJAARM CCn1c(=O)c(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c([O-])c2ccccc21 ZINC000100331718 569757554 /nfs/dbraw/zinc/75/75/54/569757554.db2.gz QFBYCEAPHGEXPM-UHFFFAOYSA-N -1 0 470.348 4.865 50 0 JJAARM O=C(Nc1cccc(O)c1)C(=O)C(=C([O-])c1ccc(Cl)c(Cl)c1)[C@H]1OC(=O)c2ccccc21 ZINC000100721740 569767801 /nfs/dbraw/zinc/76/78/01/569767801.db2.gz ZPGSJKQHAAINEI-KNQAVFIVSA-N -1 0 484.291 4.617 50 0 JJAARM CS(=O)(=O)[N-]c1nc2n(n1)[C@H](c1ccc(Cl)cc1Cl)CC(c1ccc(Cl)cc1)=N2 ZINC000101032966 569780150 /nfs/dbraw/zinc/78/01/50/569780150.db2.gz ZFCAVFBYMRTIHO-INIZCTEOSA-N -1 0 470.769 4.666 50 0 JJAARM Cc1noc(C)c1COc1cccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2cccs2)c1 ZINC000036831587 569780852 /nfs/dbraw/zinc/78/08/52/569780852.db2.gz SIBOXKUPZMUXQM-UHFFFAOYSA-N -1 0 483.571 4.985 50 0 JJAARM CCCCOc1ccc(NC(=O)[C@@H](C)Sc2ccc(NC(=O)/C=C(/C)C(=O)[O-])cc2)cc1 ZINC000037018945 569781204 /nfs/dbraw/zinc/78/12/04/569781204.db2.gz HEMWPGFRJSOINA-FUYCXPICSA-N -1 0 456.564 4.954 50 0 JJAARM CCOc1ccc(-c2nc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C)c(Cl)c5)c(=O)c3=4)c(C)o2)cc1 ZINC000101110809 569783196 /nfs/dbraw/zinc/78/31/96/569783196.db2.gz XHAJYZWHSZKWIK-LEWJYISDSA-N -1 0 479.924 4.504 50 0 JJAARM CC(C)(C)c1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@H]3c2ccc(C(=O)[O-])cc2)cc1 ZINC000101167940 569785665 /nfs/dbraw/zinc/78/56/65/569785665.db2.gz JBURKYIKXPYQRD-HSZRJFAPSA-N -1 0 452.514 4.940 50 0 JJAARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=C(NCc1ccccc1Cl)Nc1ccccc1 ZINC000101382488 569795499 /nfs/dbraw/zinc/79/54/99/569795499.db2.gz BYLJTMQFUTZUGZ-MRCUWXFGSA-N -1 0 481.339 4.690 50 0 JJAARM CC(C)c1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Oc5ccccc5)cc4)c=3c2=O)cc1 ZINC000101417112 569797378 /nfs/dbraw/zinc/79/73/78/569797378.db2.gz IQQQLCBUOWZNJU-DQEYMECFSA-N -1 0 483.528 4.534 50 0 JJAARM O=C([O-])c1ccc([C@H]2Nc3ccc(Br)cc3-c3nc(=O)c(-c4ccc(F)cc4)nn32)cc1 ZINC000101459240 569798408 /nfs/dbraw/zinc/79/84/08/569798408.db2.gz DHUICVAYVONAAB-FQEVSTJZSA-N -1 0 493.292 4.545 50 0 JJAARM COc1ccc([C@H]2CC(c3c([O-])n(C)c(=S)n(C)c3=O)=Nc3ccccc3S2)c(OC)c1 ZINC000101495227 569800305 /nfs/dbraw/zinc/80/03/05/569800305.db2.gz AGFKOAFBJRFJLW-LJQANCHMSA-N -1 0 469.588 4.534 50 0 JJAARM COc1ccccc1-n1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(C)s3)C2)c1=O ZINC000101495341 569800491 /nfs/dbraw/zinc/80/04/91/569800491.db2.gz ZYJZVTOJRFNKNH-OAQYLSRUSA-N -1 0 491.594 4.968 50 0 JJAARM CC(C)(C)OC(=O)CCCSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000038310669 569801215 /nfs/dbraw/zinc/80/12/15/569801215.db2.gz YUHBERDYPBZPQD-QFIPXVFZSA-N -1 0 485.602 4.833 50 0 JJAARM O=c1[nH]c([O-])c(C2=Nc3ccccc3S[C@H](c3cccnc3)C2)c(=O)n1-c1cccc(Cl)c1 ZINC000101766884 569804953 /nfs/dbraw/zinc/80/49/53/569804953.db2.gz AVFNOTYEDFMLBO-FQEVSTJZSA-N -1 0 476.945 4.638 50 0 JJAARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000101832901 569805650 /nfs/dbraw/zinc/80/56/50/569805650.db2.gz WPDCTECSTJTJGJ-UHFFFAOYSA-N -1 0 487.629 4.600 50 0 JJAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2[C@@H](c2ccc(Br)cc2)C1 ZINC000101836690 569806002 /nfs/dbraw/zinc/80/60/02/569806002.db2.gz YYTPOCGKNAFIPM-QGZVFWFLSA-N -1 0 473.714 4.535 50 0 JJAARM O=C([N-]n1c(=O)c2ccccc2[nH]c1=S)c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000102003467 569808829 /nfs/dbraw/zinc/80/88/29/569808829.db2.gz FSVLFFOGTMOGIM-UHFFFAOYSA-N -1 0 462.314 4.548 50 0 JJAARM O=C([O-])[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000039952837 569812464 /nfs/dbraw/zinc/81/24/64/569812464.db2.gz QRBAKCWBDLHBLR-VWLOTQADSA-N -1 0 488.540 4.685 50 0 JJAARM Cc1oc(-c2ccc(OC(C)C)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2 ZINC000102377530 569812691 /nfs/dbraw/zinc/81/26/91/569812691.db2.gz NSGYBWKDKFIBGI-SFTDATJTSA-N -1 0 479.924 4.584 50 0 JJAARM Cc1oc(-c2ccc(Cl)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(C(C)C)cc3)c(=O)c1=2 ZINC000102479114 569813452 /nfs/dbraw/zinc/81/34/52/569813452.db2.gz OAOXZHQWUFOCFL-LEWJYISDSA-N -1 0 463.925 4.920 50 0 JJAARM COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H](C(=O)[O-])[C@H]2C(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000102783321 569823838 /nfs/dbraw/zinc/82/38/38/569823838.db2.gz ITWFEWMRSGKKQG-NNMXDRDESA-N -1 0 481.595 4.514 50 0 JJAARM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cc2c(cc1Br)C[C@H](C)N2C(C)=O ZINC000040454533 569829422 /nfs/dbraw/zinc/82/94/22/569829422.db2.gz YJFBDAQTINRRIO-NSHDSACASA-N -1 0 487.803 4.518 50 0 JJAARM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N2CCCC[C@@H]2CCO3)c(Cl)cc1Cl ZINC000049464343 569848024 /nfs/dbraw/zinc/84/80/24/569848024.db2.gz JTNVMRWNBUYXCY-OAHLLOKOSA-N -1 0 469.390 4.880 50 0 JJAARM 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O=C(NCc1ccc(Cl)cc1)c1ccccc1[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000047997894 526661437 /nfs/dbraw/zinc/66/14/37/526661437.db2.gz JRYWDPQUQQRHBC-UHFFFAOYSA-N -1 0 484.883 4.969 50 0 JJAARM [O-]C(c1cccs1)=C1[C@H](c2cccc(Oc3ccccc3)c2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000008763657 526839002 /nfs/dbraw/zinc/83/90/02/526839002.db2.gz IXWCHYZBZNMLHS-WFXMLNOXSA-N -1 0 478.517 4.809 50 0 JJAARM Cc1nc2sc([C@@H](c3cccc(C)c3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000022627099 527205825 /nfs/dbraw/zinc/20/58/25/527205825.db2.gz HGQUKNXDAPNFOC-HXUWFJFHSA-N -1 0 453.999 4.678 50 0 JJAARM Cc1nc2sc([C@H](c3ccc(F)c(F)c3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000022627138 527206476 /nfs/dbraw/zinc/20/64/76/527206476.db2.gz KJIYDHCUKWCZDW-IBGZPJMESA-N -1 0 475.952 4.648 50 0 JJAARM Cc1nc2sc([C@@H](c3ccccc3Cl)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000022627253 527206659 /nfs/dbraw/zinc/20/66/59/527206659.db2.gz ORYGASSMAWFKMA-LJQANCHMSA-N -1 0 457.962 4.509 50 0 JJAARM O=S(=O)([N-]c1ccc(-c2noc(Cc3ccc(Br)cc3)n2)cc1)c1cccs1 ZINC000033276473 527247035 /nfs/dbraw/zinc/24/70/35/527247035.db2.gz QTVOBCHPPGQEMC-UHFFFAOYSA-N -1 0 476.377 4.952 50 0 JJAARM Cc1nn(-c2ccc(Br)cc2)c2c1C(=C([O-])c1cc3ccccc3o1)CC(=O)N2 ZINC000046057019 527520163 /nfs/dbraw/zinc/52/01/63/527520163.db2.gz FRTYMAMENMRKCB-MRXNPFEDSA-N -1 0 450.292 4.998 50 0 JJAARM O=C([N-]c1nnc(SCc2ccccc2F)s1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000011916012 527536290 /nfs/dbraw/zinc/53/62/90/527536290.db2.gz JSHAWOZZMOUSKC-UHFFFAOYSA-N -1 0 470.507 4.648 50 0 JJAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3Cl)CC2)cc1 ZINC000000627114 553715024 /nfs/dbraw/zinc/71/50/24/553715024.db2.gz GBDWIDIPKDVUDA-MOPGFXCFSA-N -1 0 474.388 4.926 50 0 JJAARM O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000000791062 553781791 /nfs/dbraw/zinc/78/17/91/553781791.db2.gz XJRYRNFATUUWLV-UHFFFAOYSA-N -1 0 459.527 4.567 50 0 JJAARM CCc1c([O-])nc(SCC(=O)Nc2ccc(Cl)cc2Cl)n(-c2ccc(F)cc2)c1=O ZINC000000979569 553890476 /nfs/dbraw/zinc/89/04/76/553890476.db2.gz HTTQMOYDWYRGMP-UHFFFAOYSA-N -1 0 468.337 4.677 50 0 JJAARM O=C([N-]S(=O)(=O)c1cnccc1Sc1cc(Cl)cc(Cl)c1)NC1CCCCC1 ZINC000000987840 553894034 /nfs/dbraw/zinc/89/40/34/553894034.db2.gz QYSWUQLZOUAFOA-UHFFFAOYSA-N -1 0 460.408 4.860 50 0 JJAARM Cc1oc2cc3oc(=O)c(CC(=O)N[C@@H](CSCc4ccccc4)C(=O)[O-])c(C)c3cc2c1C ZINC000002098390 554041829 /nfs/dbraw/zinc/04/18/29/554041829.db2.gz SDCBABMPBIYCAX-NRFANRHFSA-N -1 0 479.554 4.510 50 0 biogenic JJAARM Cc1oc2cc3oc(=O)c(CC(=O)N4CCC(C(=O)[O-])CC4)c(C)c3cc2c1-c1ccccc1 ZINC000002122528 554056831 /nfs/dbraw/zinc/05/68/31/554056831.db2.gz UUMONYCDTWWUNW-UHFFFAOYSA-N -1 0 459.498 4.689 50 0 biogenic JJAARM CSC[C@H](NC(=O)Cc1c(C)c2cc3c(oc(C)c3-c3ccccc3)c(C)c2oc1=O)C(=O)[O-] ZINC000002124951 554058016 /nfs/dbraw/zinc/05/80/16/554058016.db2.gz XZPVIMICHLXINY-FQEVSTJZSA-N -1 0 479.554 4.606 50 0 biogenic JJAARM CC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(Br)cc1)C(=O)[O-] ZINC000002131572 554060549 /nfs/dbraw/zinc/06/05/49/554060549.db2.gz PGHHRZUDMKIHKE-LJQANCHMSA-N -1 0 498.329 4.799 50 0 biogenic JJAARM CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OCC(=O)Nc3ccccc3C(=O)[O-])cc21 ZINC000002250992 554114951 /nfs/dbraw/zinc/11/49/51/554114951.db2.gz BUOHZNSPJUVPKF-UHFFFAOYSA-N -1 0 472.497 4.831 50 0 JJAARM COc1ccc(CCNc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(Cl)c2)cc1OC ZINC000002329151 554150814 /nfs/dbraw/zinc/15/08/14/554150814.db2.gz AAAGSQCCGNBQCO-UHFFFAOYSA-N -1 0 498.992 4.756 50 0 JJAARM Cc1nc(Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)sc1C(=O)Nc1ccccc1 ZINC000002343801 554157574 /nfs/dbraw/zinc/15/75/74/554157574.db2.gz VKQXTXQKTOQQBA-UHFFFAOYSA-N -1 0 494.602 4.655 50 0 JJAARM CC(C)(OC(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])c1ccccc1 ZINC000002382546 554176084 /nfs/dbraw/zinc/17/60/84/554176084.db2.gz MEAHCBOPNIDLFH-XMMPIXPASA-N -1 0 473.525 4.847 50 0 JJAARM CCCOC(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000002593508 554239323 /nfs/dbraw/zinc/23/93/23/554239323.db2.gz IIIHRJISIWETLK-UHFFFAOYSA-N -1 0 462.531 4.741 50 0 JJAARM COc1ccc(-c2csc(NC(=O)CSc3nc(C)nc4sc(C(=O)[O-])c(C)c43)n2)cc1 ZINC000002626518 554249857 /nfs/dbraw/zinc/24/98/57/554249857.db2.gz OOICNUJTUPIFBG-UHFFFAOYSA-N -1 0 486.600 4.869 50 0 JJAARM CCn1cc(Br)c(-c2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)n1 ZINC000002731214 554315534 /nfs/dbraw/zinc/31/55/34/554315534.db2.gz UTPUESXLFCNMGJ-UHFFFAOYSA-N -1 0 464.780 4.826 50 0 JJAARM Cc1c(Br)cnn1CCc1nnc([N-]c2ccn(Cc3c(F)cccc3Cl)n2)s1 ZINC000002731632 554315934 /nfs/dbraw/zinc/31/59/34/554315934.db2.gz BJSCQUMVSXIMRT-UHFFFAOYSA-N -1 0 496.797 4.829 50 0 JJAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)nn(Cc3ccc(Cl)c(Cl)c3)c2C)cc1 ZINC000002762717 554332545 /nfs/dbraw/zinc/33/25/45/554332545.db2.gz JTYOFCIZRWQYPT-UHFFFAOYSA-N -1 0 467.378 4.614 50 0 JJAARM O=C([O-])COc1ccc(Br)cc1/C=C1\SC(=O)N(CCCc2ccccc2)C1=O ZINC000002815317 554362458 /nfs/dbraw/zinc/36/24/58/554362458.db2.gz ZROWNAKQDNYZPZ-PDGQHHTCSA-N -1 0 476.348 4.582 50 0 JJAARM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1OCC(=O)NC1CCCCC1 ZINC000002850424 554378331 /nfs/dbraw/zinc/37/83/31/554378331.db2.gz ULLNJKBCZMRZBS-UHFFFAOYSA-N -1 0 477.026 4.766 50 0 JJAARM Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(Nc2ccc(O)c(C(=O)[O-])c2)n1 ZINC000002861141 554387677 /nfs/dbraw/zinc/38/76/77/554387677.db2.gz OBVHCVWQEQNNMX-UHFFFAOYSA-N -1 0 452.517 4.975 50 0 JJAARM O=C([O-])c1cc(NC(=O)CSc2nnc(-c3ccccc3O)n2-c2ccccc2)ccc1Cl ZINC000002874538 554397545 /nfs/dbraw/zinc/39/75/45/554397545.db2.gz WQTHNVRQTJFTNO-UHFFFAOYSA-N -1 0 480.933 4.722 50 0 JJAARM O=C(NCCc1ccc(Cl)cc1)C1CCC(Cn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000002971982 554414115 /nfs/dbraw/zinc/41/41/15/554414115.db2.gz UUJQBRLXHCXQTH-UHFFFAOYSA-N -1 0 456.011 4.878 50 0 JJAARM CCOC(=O)c1c2c(sc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1)CCC2 ZINC000003144120 554427006 /nfs/dbraw/zinc/42/70/06/554427006.db2.gz UBGSYWIOFDMRPY-UHFFFAOYSA-N -1 0 484.599 4.775 50 0 JJAARM CCN(C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000006177312 554514996 /nfs/dbraw/zinc/51/49/96/554514996.db2.gz IZNAZGRMEUGAAW-UHFFFAOYSA-N -1 0 459.365 4.917 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)COc2ccc3ccccc3c2)c1 ZINC000006298636 554529067 /nfs/dbraw/zinc/52/90/67/554529067.db2.gz XOAXWKPFCCDKQE-UHFFFAOYSA-N -1 0 462.527 4.667 50 0 JJAARM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N(C)c1cc(C)ccc1O2 ZINC000008961498 554837966 /nfs/dbraw/zinc/83/79/66/554837966.db2.gz WUQDAUVRPKZLMC-UHFFFAOYSA-N -1 0 452.532 4.885 50 0 JJAARM CCOc1cc(/C=C(/NC(C)=O)C(=O)[O-])cc(Cl)c1OCc1ccc(Br)cc1 ZINC000009076076 554887383 /nfs/dbraw/zinc/88/73/83/554887383.db2.gz IEJMMDSWCWGAOT-RQZCQDPDSA-N -1 0 468.731 4.642 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)CCCc2c[nH]c3ccccc23)c1 ZINC000009116312 554903720 /nfs/dbraw/zinc/90/37/20/554903720.db2.gz YFLAZXKTCDULDE-UHFFFAOYSA-N -1 0 463.559 4.939 50 0 JJAARM O=S(=O)([N-]c1ncnc2scc(-c3ccccc3)c21)c1ccc(Br)s1 ZINC000009125034 554917155 /nfs/dbraw/zinc/91/71/55/554917155.db2.gz RYAZMUWUVZITLG-UHFFFAOYSA-N -1 0 452.380 4.983 50 0 JJAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CCC[C@H]2c2cccs2)cc1 ZINC000009126886 554921291 /nfs/dbraw/zinc/92/12/91/554921291.db2.gz NAEPWTOGTKEJAS-NRFANRHFSA-N -1 0 493.614 4.792 50 0 JJAARM COc1ccc(NC(=O)CCSc2ccccc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000009130249 554929617 /nfs/dbraw/zinc/92/96/17/554929617.db2.gz VGAUFAYWMKVWDT-UHFFFAOYSA-N -1 0 460.552 4.756 50 0 JJAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N1CCC[C@H](C(=O)[O-])C1)occ3-c1ccc(F)cc1 ZINC000009134095 554931652 /nfs/dbraw/zinc/93/16/52/554931652.db2.gz DVEKYFBMOMWLAL-KRWDZBQOSA-N -1 0 477.488 4.910 50 0 JJAARM CC(C)CN1c2ccc([N-]S(=O)(=O)c3ccccc3Br)cc2OCC(C)(C)C1=O ZINC000009168077 554952086 /nfs/dbraw/zinc/95/20/86/554952086.db2.gz ICWPDIYBXKJRFA-UHFFFAOYSA-N -1 0 481.412 4.658 50 0 JJAARM O=C([O-])CCC(=O)N1N=C(c2ccco2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000009328445 555099142 /nfs/dbraw/zinc/09/91/42/555099142.db2.gz JJKFHLPFENGGKW-QFIPXVFZSA-N -1 0 454.486 4.675 50 0 JJAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4n3C(F)F)cc2)c1 ZINC000009338053 555105995 /nfs/dbraw/zinc/10/59/95/555105995.db2.gz RAJAWQNPDZZQLO-UHFFFAOYSA-N -1 0 459.474 4.916 50 0 JJAARM CC[C@@H]1CCCCN1C(=O)[C@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000009352273 555117646 /nfs/dbraw/zinc/11/76/46/555117646.db2.gz OXUAOJFQJGCBSM-LSDHHAIUSA-N -1 0 485.027 4.539 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cccc4c3O[C@H](C)[C@H]4C)ccc2OC)cc1 ZINC000009376741 555137784 /nfs/dbraw/zinc/13/77/84/555137784.db2.gz DSPYLIJTOHUXDC-HZPDHXFCSA-N -1 0 482.558 4.641 50 0 JJAARM COc1ccc(-c2nonc2[N-]C(=O)c2nc(SCc3ccccc3)ncc2Br)cc1 ZINC000009409524 555174567 /nfs/dbraw/zinc/17/45/67/555174567.db2.gz YJNPEKOIWWJJIF-UHFFFAOYSA-N -1 0 498.362 4.842 50 0 JJAARM Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N[C@@H](CSCc3ccccc3)C(=O)[O-])c(C)c21 ZINC000009435305 555206243 /nfs/dbraw/zinc/20/62/43/555206243.db2.gz MUQCMRLYSKORIV-IBGZPJMESA-N -1 0 479.554 4.510 50 0 JJAARM COc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4OC)cc3)c(C)c2c1 ZINC000009461359 555228843 /nfs/dbraw/zinc/22/88/43/555228843.db2.gz MGUOELLQTREELI-UHFFFAOYSA-N -1 0 466.515 4.812 50 0 JJAARM O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)cc1 ZINC000009464142 555235623 /nfs/dbraw/zinc/23/56/23/555235623.db2.gz XHMSHUPSPBEVCZ-UHFFFAOYSA-N -1 0 452.557 4.705 50 0 JJAARM COc1ccc(C(=O)NCc2cccnc2)cc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)cc1 ZINC000009468148 555247225 /nfs/dbraw/zinc/24/72/25/555247225.db2.gz XTPZDIXGEWTLEE-UHFFFAOYSA-N -1 0 489.553 4.613 50 0 JJAARM COc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2)cc1 ZINC000009468868 555249758 /nfs/dbraw/zinc/24/97/58/555249758.db2.gz OTQZMSOHKWEKBY-UHFFFAOYSA-N -1 0 478.526 4.811 50 0 JJAARM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc4ccccc4n3)ccc2OC)cc1 ZINC000009507986 555293434 /nfs/dbraw/zinc/29/34/34/555293434.db2.gz XFTRNAATCYILLV-UHFFFAOYSA-N -1 0 477.542 4.695 50 0 JJAARM CCc1nc2ccc(C(=O)Nc3cccc(S(=O)(=O)[N-]c4ccccc4OC)c3)cc2nc1CC ZINC000009634890 555341088 /nfs/dbraw/zinc/34/10/88/555341088.db2.gz GXNMICOWCOOYSR-UHFFFAOYSA-N -1 0 490.585 4.816 50 0 JJAARM COc1ccc(S(=O)(=O)[N-]c2nc(-c3cccnc3)nc3sc4c(c32)CC[C@H](C)C4)cc1OC ZINC000009635034 555341417 /nfs/dbraw/zinc/34/14/17/555341417.db2.gz XXQGMKNPMPAQNN-AWEZNQCLSA-N -1 0 496.614 4.696 50 0 JJAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)C34CC5C[C@@](C)(C3)C[C@](C)(C5)C4)cc2)n1 ZINC000013154156 555360080 /nfs/dbraw/zinc/36/00/80/555360080.db2.gz GKKUAMSADSOCRC-MDQWUCQQSA-N -1 0 454.596 4.521 50 0 JJAARM CCc1cccc2c(C(=O)[C@H](c3ccccc3)n3nc(C(=O)[O-])c4ccccc4c3=O)c[nH]c21 ZINC000009583740 555391604 /nfs/dbraw/zinc/39/16/04/555391604.db2.gz VYWMSCUDZCZFCN-DEOSSOPVSA-N -1 0 451.482 4.611 50 0 JJAARM CCOC(=O)c1ccc(N2C(=O)c3[n-]nc(-c4ccco4)c3[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000009679545 555406378 /nfs/dbraw/zinc/40/63/78/555406378.db2.gz DUWRFRVALVAEFP-DEOSSOPVSA-N -1 0 473.485 4.613 50 0 JJAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1Br ZINC000009790077 555509076 /nfs/dbraw/zinc/50/90/76/555509076.db2.gz GMRXFBJZXZLDTM-UHFFFAOYSA-N -1 0 462.321 4.527 50 0 JJAARM COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H](C(=O)[O-])[C@H]2C(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000013572372 555510942 /nfs/dbraw/zinc/51/09/42/555510942.db2.gz ITWFEWMRSGKKQG-JQVVWYNYSA-N -1 0 481.595 4.514 50 0 JJAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C(=O)OCC(=O)N(c2ccccc2)c2ccccc2)cc1 ZINC000013578988 555517407 /nfs/dbraw/zinc/51/74/07/555517407.db2.gz WDRTYCSSQOERCN-LOSJGSFVSA-N -1 0 498.535 4.814 50 0 JJAARM COc1ccc(NC(=O)C(C)(C)Sc2ccc(NC(=O)/C=C(/C)C(=O)[O-])cc2)cc1Cl ZINC000013579278 555518238 /nfs/dbraw/zinc/51/82/38/555518238.db2.gz HKIXFOBDYFORNB-QBFSEMIESA-N -1 0 462.955 4.827 50 0 JJAARM Cc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cc4cc5c(cc4nc3Cl)OCCO5)C2)cc1 ZINC000013644540 555549934 /nfs/dbraw/zinc/54/99/34/555549934.db2.gz AYXDGABCZKMDBA-HXUWFJFHSA-N -1 0 479.920 4.510 50 0 JJAARM COC(=O)C1=C(Nc2ccccc2[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)CSC1 ZINC000013657758 555555097 /nfs/dbraw/zinc/55/50/97/555555097.db2.gz JQZJBCTZEYCSBI-UHFFFAOYSA-N -1 0 492.928 4.745 50 0 JJAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccc(C(=O)Nc4ccc5[nH]ccc5c4)cc3s2)cc1 ZINC000013719344 555595432 /nfs/dbraw/zinc/59/54/32/555595432.db2.gz STWMJGCHGCCXFU-UHFFFAOYSA-N -1 0 478.555 4.839 50 0 JJAARM CCOc1ccc2nc([N-]c3ncc4c(n3)C[C@H](c3ccc(OC)cc3)CC4=O)nc(C)c2c1 ZINC000010075690 555615194 /nfs/dbraw/zinc/61/51/94/555615194.db2.gz SWADMPWDLKLTQZ-KRWDZBQOSA-N -1 0 455.518 4.792 50 0 JJAARM CC(C)c1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[n-]2)cc1 ZINC000010272560 555666839 /nfs/dbraw/zinc/66/68/39/555666839.db2.gz ARTHPFUKFKZBCZ-UHFFFAOYSA-N -1 0 499.658 4.754 50 0 JJAARM COc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)[N-]c3cc(Cl)ccc3OC)c2)cc1F ZINC000014023644 555674314 /nfs/dbraw/zinc/67/43/14/555674314.db2.gz GVIABNHHITVGLR-AWEZNQCLSA-N -1 0 492.956 4.788 50 0 JJAARM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccn(Cc3c(F)c(F)c(F)c(F)c3F)n2)c(C)c1C ZINC000020293935 555762582 /nfs/dbraw/zinc/76/25/82/555762582.db2.gz LZVCKZHKZLQWKU-UHFFFAOYSA-N -1 0 473.467 4.970 50 0 JJAARM CCC(NCCC(c1ccccc1)c1ccccc1)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000020329015 555774805 /nfs/dbraw/zinc/77/48/05/555774805.db2.gz YHXIFGUPNZSMDF-OCEACIFDSA-N -1 0 467.569 4.741 50 0 JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCCC(=O)N(C)C4CCCCC4)c3=O)c2c1 ZINC000020329172 555775130 /nfs/dbraw/zinc/77/51/30/555775130.db2.gz ZFQDCXUHQUSUQO-UHFFFAOYSA-N -1 0 456.612 4.900 50 0 JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)N[C@H](C)c4ccccc4)c3=O)c2c1 ZINC000020331320 555776554 /nfs/dbraw/zinc/77/65/54/555776554.db2.gz YIBDCODOVZXEQB-OAHLLOKOSA-N -1 0 450.564 4.597 50 0 JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)NCCC4=CCCCC4)c3=O)c2c1 ZINC000020331344 555776562 /nfs/dbraw/zinc/77/65/62/555776562.db2.gz YINJFBBJOAABJJ-UHFFFAOYSA-N -1 0 454.596 4.726 50 0 JJAARM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccn(Cc3c(F)c(F)c(F)c(F)c3F)n2)cc1 ZINC000020568796 555822341 /nfs/dbraw/zinc/82/23/41/555822341.db2.gz DMUZECHGHRYDBY-LLVKDONJSA-N -1 0 459.440 4.941 50 0 JJAARM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)N[C@H](Cc3ccccc3)C(=O)[O-])c(=O)oc12 ZINC000011865394 555839837 /nfs/dbraw/zinc/83/98/37/555839837.db2.gz IWXAIXFBGNHMQY-JOCHJYFZSA-N -1 0 475.541 4.808 50 0 JJAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@H](Cc1ccccc1)C(=O)[O-])occ3-c1ccccc1 ZINC000011865574 555840521 /nfs/dbraw/zinc/84/05/21/555840521.db2.gz NFSKLRPVOPSCRF-XMMPIXPASA-N -1 0 481.504 4.869 50 0 JJAARM CCc1cc2c(cc1OC(=O)C(C)(C)C)oc(CCC(=O)[O-])c(-c1nc3ccccc3n1C)c2=O ZINC000011867644 555845185 /nfs/dbraw/zinc/84/51/85/555845185.db2.gz RNWUENTVHCQPME-UHFFFAOYSA-N -1 0 476.529 4.878 50 0 JJAARM CCN(CCCNC(=O)CCCCCn1c(=O)c2sccc2[n-]c1=S)c1ccccc1 ZINC000020645918 555846808 /nfs/dbraw/zinc/84/68/08/555846808.db2.gz XNMBSKATIGPZOO-UHFFFAOYSA-N -1 0 458.653 4.714 50 0 JJAARM [O-]c1c([C@@H](c2ccco2)N2CCN(C(c3ccccc3)c3ccccc3)CC2)sc2ncnn12 ZINC000022031006 555864543 /nfs/dbraw/zinc/86/45/43/555864543.db2.gz POXMPAGVAMHLHD-HSZRJFAPSA-N -1 0 471.586 4.586 50 0 JJAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cccc(OCCOc2ccccc2)c1 ZINC000012137685 555915314 /nfs/dbraw/zinc/91/53/14/555915314.db2.gz XYNIUOXIMVJRAW-UHFFFAOYSA-N -1 0 495.582 4.654 50 0 JJAARM CCn1c2ccc(C)cc2s/c1=N/C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000012180864 555935388 /nfs/dbraw/zinc/93/53/88/555935388.db2.gz KFCGRCOEPFJZMN-OCOZRVBESA-N -1 0 465.600 4.881 50 0 JJAARM CCOC(=O)C1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2Cl)CC1 ZINC000022851845 555958470 /nfs/dbraw/zinc/95/84/70/555958470.db2.gz YBDBQHPTMKVBSU-GOSISDBHSA-N -1 0 486.981 4.774 50 0 JJAARM CCc1nc2sc([C@H](c3ccccc3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000022854750 555961569 /nfs/dbraw/zinc/96/15/69/555961569.db2.gz BNXUJBXWQXSTOM-FQEVSTJZSA-N -1 0 453.999 4.624 50 0 JJAARM CCc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000022854887 555961771 /nfs/dbraw/zinc/96/17/71/555961771.db2.gz PWYQQBPKVMBUND-HXUWFJFHSA-N -1 0 471.989 4.763 50 0 JJAARM CCc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000022854820 555961816 /nfs/dbraw/zinc/96/18/16/555961816.db2.gz UZISJMUXWJAIGD-FQEVSTJZSA-N -1 0 471.989 4.763 50 0 JJAARM COc1cccc(CC(=O)Nc2ccc3nc([N-]S(=O)(=O)c4ccc(C)cc4)sc3c2)c1 ZINC000015729298 555969664 /nfs/dbraw/zinc/96/96/64/555969664.db2.gz FVTZHYKKPFNLRY-UHFFFAOYSA-N -1 0 467.572 4.595 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(NC(=O)COc4cccc(C)c4)cc3s2)cc1 ZINC000015729310 555969953 /nfs/dbraw/zinc/96/99/53/555969953.db2.gz DLIROKDWDQJBDX-UHFFFAOYSA-N -1 0 467.572 4.731 50 0 JJAARM CC[C@H]1c2ccsc2CCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000012521074 555992260 /nfs/dbraw/zinc/99/22/60/555992260.db2.gz JYSAPICTVRYPLP-FQEVSTJZSA-N -1 0 456.589 4.707 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCC(=O)c3ccccc3)ccc2Cl)cc1 ZINC000012526451 555995104 /nfs/dbraw/zinc/99/51/04/555995104.db2.gz WLZGAJPHOZHVJM-UHFFFAOYSA-N -1 0 472.950 4.751 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)Cc3cccc4ccccc43)ccc2OC)cc1 ZINC000012532497 556002853 /nfs/dbraw/zinc/00/28/53/556002853.db2.gz FQLWTCKXQPSOMT-UHFFFAOYSA-N -1 0 476.554 4.839 50 0 JJAARM CCOc1ccc(NS(=O)(=O)c2cc([N-]S(=O)(=O)c3ccc(Cl)s3)ccc2C)cc1 ZINC000012532468 556003014 /nfs/dbraw/zinc/00/30/14/556003014.db2.gz YUVZTHCVJJANHL-UHFFFAOYSA-N -1 0 487.024 4.710 50 0 JJAARM O=S(=O)([N-]c1ccccc1OC(F)F)c1cc(Br)ccc1Br ZINC000012536284 556009261 /nfs/dbraw/zinc/00/92/61/556009261.db2.gz QURAWMILVIJWND-UHFFFAOYSA-N -1 0 457.090 4.614 50 0 JJAARM COc1ccc([C@H]2CC(c3c([O-])n(C)c(=S)n(C)c3=O)=Nc3ccccc3S2)c(OC)c1OC ZINC000015834933 556020080 /nfs/dbraw/zinc/02/00/80/556020080.db2.gz KBRKHGNHERRDLL-GOSISDBHSA-N -1 0 499.614 4.543 50 0 JJAARM CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)c1 ZINC000012546631 556022854 /nfs/dbraw/zinc/02/28/54/556022854.db2.gz ABROTHARRLYNRI-UHFFFAOYSA-N -1 0 482.668 4.539 50 0 JJAARM Cc1nc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3Cl)cc2c(=O)n1-c1ccc(F)cc1 ZINC000023144005 556022923 /nfs/dbraw/zinc/02/29/23/556022923.db2.gz JGCZQCPCYCVZKH-UHFFFAOYSA-N -1 0 478.332 4.941 50 0 JJAARM Cc1cc(NC(=O)CCc2ccccc2)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000015862132 556035166 /nfs/dbraw/zinc/03/51/66/556035166.db2.gz BERYPFQYYBLVCM-UHFFFAOYSA-N -1 0 451.573 4.977 50 0 JJAARM COc1ccc(NC(=O)Cc2nc(-c3ccccc3)oc2C)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000012552316 556035263 /nfs/dbraw/zinc/03/52/63/556035263.db2.gz CQTJBKGJBOUTKU-UHFFFAOYSA-N -1 0 495.532 4.780 50 0 JJAARM Cc1cccc(-c2nc3cc(=O)[nH]n3c(SCC(=O)Oc3cc(C)ccc3C(C)(C)C)n2)c1 ZINC000015862895 556036173 /nfs/dbraw/zinc/03/61/73/556036173.db2.gz WEDXIZXIHHMEGT-UHFFFAOYSA-N -1 0 462.575 4.697 50 0 JJAARM COc1ccc(C(=O)N2CCc3sccc3[C@H]2C)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000012560893 556053285 /nfs/dbraw/zinc/05/32/85/556053285.db2.gz MFBBIVDGAJHSHI-MRXNPFEDSA-N -1 0 456.589 4.625 50 0 JJAARM Cc1ccc(Cl)cc1NC(=O)c1cc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])ccc1N1CCOCC1 ZINC000015919251 556066705 /nfs/dbraw/zinc/06/67/05/556066705.db2.gz YPRHTEIDDMORNO-PMACEKPBSA-N -1 0 499.995 4.567 50 0 JJAARM [O-]c1c([C@H](c2ccc(Cl)cc2Cl)N2CCC(O)CC2)sc2nc(-c3ccco3)nn12 ZINC000023666934 556082694 /nfs/dbraw/zinc/08/26/94/556082694.db2.gz DXFHKFWBTKABDH-INIZCTEOSA-N -1 0 465.362 4.609 50 0 JJAARM CCN(Cc1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000012785271 556112641 /nfs/dbraw/zinc/11/26/41/556112641.db2.gz WMPWFXZPYVBCKG-SFQUDFHCSA-N -1 0 451.544 4.574 50 0 JJAARM O=C(CSC(c1ccccc1)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000016024780 556115293 /nfs/dbraw/zinc/11/52/93/556115293.db2.gz BEFFBZIVZYKLRJ-UHFFFAOYSA-N -1 0 490.610 4.739 50 0 JJAARM CC(=O)Nc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)c1 ZINC000012859965 556119012 /nfs/dbraw/zinc/11/90/12/556119012.db2.gz XUCZGIBSNILYOY-UHFFFAOYSA-N -1 0 471.966 4.968 50 0 JJAARM Cc1ccc(S(=O)(=O)C2=C([O-])C(=O)N(c3nnc(C(C)C)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000024193023 556126408 /nfs/dbraw/zinc/12/64/08/556126408.db2.gz MHXUEMUBPNHKEV-KRWDZBQOSA-N -1 0 490.006 4.955 50 0 JJAARM O=C1NC(=Cc2c(=O)n(-c3ccccc3)[n-]c2Cc2cccs2)C(=O)N1Cc1ccccc1Cl ZINC000016534182 556142795 /nfs/dbraw/zinc/14/27/95/556142795.db2.gz NPKFTEAKXPHTCL-HMAPJEAMSA-N -1 0 490.972 4.977 50 0 JJAARM CCCc1nc(COC(=O)c2ccc(OC)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cs1 ZINC000024982170 556168357 /nfs/dbraw/zinc/16/83/57/556168357.db2.gz HEJKAEMVLCVHAX-UHFFFAOYSA-N -1 0 460.577 4.570 50 0 JJAARM CCOc1ccc2nc(NC(=O)CCc3csc([N-]S(=O)(=O)c4ccccc4)n3)sc2c1 ZINC000016848357 556169626 /nfs/dbraw/zinc/16/96/26/556169626.db2.gz SXZOJZVJMCKJRF-UHFFFAOYSA-N -1 0 488.616 4.524 50 0 JJAARM COc1ccc(NC(=O)Cc2csc(-c3ccco3)n2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000025123596 556180035 /nfs/dbraw/zinc/18/00/35/556180035.db2.gz UVWXTQZPUJODDF-UHFFFAOYSA-N -1 0 487.534 4.533 50 0 JJAARM COc1cccc(-n2c3nc(SCC(=O)NCCC4=CCCCC4)[n-]c(=O)c3sc2=S)c1 ZINC000016960690 556191534 /nfs/dbraw/zinc/19/15/34/556191534.db2.gz FHJNGUMZAIPMPZ-UHFFFAOYSA-N -1 0 488.660 4.612 50 0 JJAARM CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000025395722 556212987 /nfs/dbraw/zinc/21/29/87/556212987.db2.gz MLNBVQDVQJHJAB-UHFFFAOYSA-N -1 0 488.631 4.636 50 0 JJAARM CS(=O)(=O)[N-]c1ccccc1C(=O)OCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000025451893 556216428 /nfs/dbraw/zinc/21/64/28/556216428.db2.gz TYBXEGKVEUCUKP-UHFFFAOYSA-N -1 0 456.467 4.557 50 0 JJAARM O=C(Nc1ccc2c(c1)OCCO2)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000017304832 556253608 /nfs/dbraw/zinc/25/36/08/556253608.db2.gz VTIWTNSJYFNRDV-UHFFFAOYSA-N -1 0 479.341 4.818 50 0 JJAARM CCOc1ccc(-n2c3nc(SCC(=O)Nc4cccc(C)c4)[n-]c(=O)c3sc2=S)cc1 ZINC000017315333 556256999 /nfs/dbraw/zinc/25/69/99/556256999.db2.gz NDUXTEKNMKDQCZ-UHFFFAOYSA-N -1 0 484.628 4.943 50 0 JJAARM CCOc1ccccc1NC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2C)c(=O)[n-]1 ZINC000017315967 556258008 /nfs/dbraw/zinc/25/80/08/556258008.db2.gz LCZAPTIETYOVHR-UHFFFAOYSA-N -1 0 484.628 4.943 50 0 JJAARM CCCCN(CC)C(=O)CSc1nc2c(sc(=S)n2-c2ccc(OCC)cc2)c(=O)[n-]1 ZINC000017889585 556270067 /nfs/dbraw/zinc/27/00/67/556270067.db2.gz PODRENQZVLJRTP-UHFFFAOYSA-N -1 0 478.665 4.644 50 0 JJAARM CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCc3cccs3)ccc2Cl)cc1 ZINC000017909784 556270650 /nfs/dbraw/zinc/27/06/50/556270650.db2.gz OMIWNQRXZPRPEU-UHFFFAOYSA-N -1 0 464.996 4.574 50 0 JJAARM COc1ccc(-c2cc([N-]S(=O)(=O)c3cc(Br)ccc3OC)ccc2OC)cc1 ZINC000018708038 556323711 /nfs/dbraw/zinc/32/37/11/556323711.db2.gz MXKKSJPPPZNBQH-UHFFFAOYSA-N -1 0 478.364 4.943 50 0 JJAARM CCOc1ccc(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1OCC ZINC000029978204 556361468 /nfs/dbraw/zinc/36/14/68/556361468.db2.gz KFQQFVNROBHQOD-UHFFFAOYSA-N -1 0 460.577 4.528 50 0 JJAARM COc1cccc2c([C@H](C(=O)[O-])N3CCc4nc(-c5ccc(OC)c(OC)c5)sc4C3)c[nH]c21 ZINC000031816723 556407429 /nfs/dbraw/zinc/40/74/29/556407429.db2.gz MPDYHPRDFKSFHQ-HSZRJFAPSA-N -1 0 479.558 4.501 50 0 JJAARM O=C([O-])c1ccc(N2CCN(Cc3cccc(F)c3)CC2)c(NC(=O)c2ccccc2Cl)c1 ZINC000032946560 556561558 /nfs/dbraw/zinc/56/15/58/556561558.db2.gz JWBAHWAQBNOPKE-UHFFFAOYSA-N -1 0 467.928 4.752 50 0 JJAARM COc1ccccc1N1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2cccc(Cl)c2)CC1 ZINC000032947158 556562550 /nfs/dbraw/zinc/56/25/50/556562550.db2.gz VAYYBMULKUGPQB-UHFFFAOYSA-N -1 0 465.937 4.626 50 0 JJAARM COc1cccc(-n2c3nc(SCC(=O)Nc4cc(C)cc(C)c4)[n-]c(=O)c3sc2=S)c1 ZINC000032948298 556563266 /nfs/dbraw/zinc/56/32/66/556563266.db2.gz WMLJABDSLSOOGP-UHFFFAOYSA-N -1 0 484.628 4.861 50 0 JJAARM Cc1ccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3)c(=O)[n-]2)c(C)c1 ZINC000032948540 556564084 /nfs/dbraw/zinc/56/40/84/556564084.db2.gz DIRLJNFWYVTXDH-UHFFFAOYSA-N -1 0 454.602 4.852 50 0 JJAARM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(c3cccc(C)c3C)CC2)cc1C ZINC000032961867 556579291 /nfs/dbraw/zinc/57/92/91/556579291.db2.gz CLTRLHGLWKDIRN-UHFFFAOYSA-N -1 0 493.629 4.746 50 0 JJAARM O=C([O-])[C@@H](O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC000008700612 569593694 /nfs/dbraw/zinc/59/36/94/569593694.db2.gz MWYLISRBKNDQSE-VXKWHMMOSA-N -1 0 471.431 4.731 50 0 JJAARM Cc1cccc(N2CCN(c3ccc(C(=O)[O-])cc3NS(=O)(=O)c3cc(C)ccc3C)C[C@H]2C)c1 ZINC000032971166 569603616 /nfs/dbraw/zinc/60/36/16/569603616.db2.gz DPQXEFHSWWWRSJ-OAQYLSRUSA-N -1 0 493.629 4.826 50 0 JJAARM COc1cc([N-]S(=O)(=O)c2cc(F)ccc2F)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033008014 569615866 /nfs/dbraw/zinc/61/58/66/569615866.db2.gz CSUFTADRYBSBNM-UHFFFAOYSA-N -1 0 475.498 4.636 50 0 JJAARM CCc1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C(=O)OC)cc2)cc1 ZINC000064558211 569618625 /nfs/dbraw/zinc/61/86/25/569618625.db2.gz XFBVOIQHPCEUGG-QHCPKHFHSA-N -1 0 491.565 4.675 50 0 JJAARM O=c1cc(CSc2ccccc2[N-]S(=O)(=O)c2cc(F)ccc2F)nc2ccc(Cl)cn12 ZINC000033026155 569620950 /nfs/dbraw/zinc/62/09/50/569620950.db2.gz JWKBSVSLSCWWEP-UHFFFAOYSA-N -1 0 493.944 4.719 50 0 JJAARM CCOc1ccccc1N1CCN(c2ccc(NC(=O)c3cccc(C)c3)c(C(=O)[O-])c2)CC1 ZINC000064589639 569621138 /nfs/dbraw/zinc/62/11/38/569621138.db2.gz FOINCFMVUBYYKB-UHFFFAOYSA-N -1 0 459.546 4.671 50 0 JJAARM COc1ccc(C(=O)Nc2ccc(N3CCN(c4cc(Cl)ccc4C)CC3)cc2C(=O)[O-])cc1 ZINC000064590225 569621358 /nfs/dbraw/zinc/62/13/58/569621358.db2.gz QFJLWZSHKPVZGX-UHFFFAOYSA-N -1 0 479.964 4.934 50 0 JJAARM Cc1cccc(N2CCN(c3ccc(NS(=O)(=O)c4cc(F)ccc4C)cc3C(=O)[O-])C[C@H]2C)c1 ZINC000033253544 569621927 /nfs/dbraw/zinc/62/19/27/569621927.db2.gz DPGXGQIJXGPNSU-LJQANCHMSA-N -1 0 497.592 4.657 50 0 JJAARM COc1ccc(Oc2cc3c(cc2[N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)n(C)c(=O)n3C)cc1 ZINC000064591933 569622170 /nfs/dbraw/zinc/62/21/70/569622170.db2.gz CYPHHPANPRIBFU-UHFFFAOYSA-N -1 0 495.601 4.712 50 0 JJAARM O=C1[N-]C(=O)[C@@]2(Cc3ccccc3N3CCN(c4ccc(Cl)cc4)C[C@H]32)C(=O)N1c1ccccc1 ZINC000033429119 569626217 /nfs/dbraw/zinc/62/62/17/569626217.db2.gz QCIYVZIAYZGTKY-HOFKKMOUSA-N -1 0 486.959 4.701 50 0 JJAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(C)c(Cl)c2)[n-]c1=O ZINC000064774516 569626534 /nfs/dbraw/zinc/62/65/34/569626534.db2.gz XDZLNDKUSDQJQN-CQSZACIVSA-N -1 0 485.997 4.901 50 0 JJAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)[n-]c1=O ZINC000064774543 569626731 /nfs/dbraw/zinc/62/67/31/569626731.db2.gz SWBVZIYTTQLZSD-KRWDZBQOSA-N -1 0 479.606 4.864 50 0 JJAARM C[C@@H](Sc1nnc(-c2ccccc2NC(=O)c2ccccc2)c(=O)[n-]1)C(=O)Nc1ccccc1 ZINC000064774736 569627019 /nfs/dbraw/zinc/62/70/19/569627019.db2.gz KQMWRFRYLRRGHL-MRXNPFEDSA-N -1 0 471.542 4.616 50 0 JJAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)[n-]c1=O ZINC000064774928 569627169 /nfs/dbraw/zinc/62/71/69/569627169.db2.gz OUCIRVRIYKVMEA-INIZCTEOSA-N -1 0 465.579 4.637 50 0 JJAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2c(C)cc(C)cc2C)[n-]c1=O ZINC000064774924 569627200 /nfs/dbraw/zinc/62/72/00/569627200.db2.gz NAIRVUGBOVWXSM-UHFFFAOYSA-N -1 0 465.579 4.557 50 0 JJAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2ccc(OC)c(OC)c2OC)CC(=O)N3)cc1 ZINC000064796810 569630284 /nfs/dbraw/zinc/63/02/84/569630284.db2.gz IETXSEBMRQXHBO-HNNXBMFYSA-N -1 0 469.515 4.622 50 0 JJAARM COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(Br)cc1OCC(=O)[O-] ZINC000034703988 569649332 /nfs/dbraw/zinc/64/93/32/569649332.db2.gz IOUDGCRLWRFSEO-OMCISZLKSA-N -1 0 498.738 4.815 50 0 JJAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(F)c3)c(C)n2C)sc1C(=O)N1CCCCCC1 ZINC000065036276 569653204 /nfs/dbraw/zinc/65/32/04/569653204.db2.gz ULGSSLGXYGNRGU-UHFFFAOYSA-N -1 0 490.626 4.722 50 0 JJAARM COc1cc(-c2nnc(CCC(=O)NC3CCCCC3)c(=O)[n-]2)ccc1OCc1ccccc1Cl ZINC000034766845 569658630 /nfs/dbraw/zinc/65/86/30/569658630.db2.gz RJGWJTLXDZNPKO-UHFFFAOYSA-N -1 0 496.995 4.867 50 0 JJAARM CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)c1 ZINC000065116197 569666382 /nfs/dbraw/zinc/66/63/82/569666382.db2.gz JOFZWRUBUNJCEB-UHFFFAOYSA-N -1 0 457.552 4.795 50 0 JJAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)cn2C)sc1C(=O)N1CCCC1 ZINC000065137435 569668214 /nfs/dbraw/zinc/66/82/14/569668214.db2.gz QSEMABGACGGITN-UHFFFAOYSA-N -1 0 498.552 4.513 50 0 JJAARM COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(C(F)(F)F)c4)c32)cc1OC ZINC000066087901 569676765 /nfs/dbraw/zinc/67/67/65/569676765.db2.gz GMNJZKFEWXECIT-HNNXBMFYSA-N -1 0 460.408 4.686 50 0 JJAARM COc1cc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(C(F)(F)F)c4)c32)cc(OC)c1OC ZINC000066087921 569676866 /nfs/dbraw/zinc/67/68/66/569676866.db2.gz QYWVORKRGUFDBT-HNNXBMFYSA-N -1 0 490.434 4.694 50 0 JJAARM CCC(=O)Nc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2cccc(Cl)c2C)[n-]c1=O ZINC000035377990 569685518 /nfs/dbraw/zinc/68/55/18/569685518.db2.gz HEPJZOOCFPMVQN-CYBMUJFWSA-N -1 0 471.970 4.674 50 0 JJAARM CCC(=O)Nc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)[n-]c1=O ZINC000035377985 569685678 /nfs/dbraw/zinc/68/56/78/569685678.db2.gz CQWOGCBPHZHJRG-INIZCTEOSA-N -1 0 465.579 4.637 50 0 JJAARM O=c1ccc(-c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(Oc4ccccc4)cc3)c2)n[nH]1 ZINC000035378079 569685800 /nfs/dbraw/zinc/68/58/00/569685800.db2.gz AFTNYXGFDDKOKS-UHFFFAOYSA-N -1 0 453.907 4.683 50 0 JJAARM CC(=O)c1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000071328655 569697021 /nfs/dbraw/zinc/69/70/21/569697021.db2.gz JMGLKYPQZRRLFN-NRFANRHFSA-N -1 0 467.930 4.874 50 0 JJAARM O=C1[C@@H]2C(=C([O-])[C@@H]1c1ccccc1)C(=C(O)c1ccc(Br)cc1)N1N=Cc3ccccc3[C@@H]21 ZINC000071785207 569698198 /nfs/dbraw/zinc/69/81/98/569698198.db2.gz DKCIDPGDSNGZMM-VDLPQLTJSA-N -1 0 499.364 4.573 50 0 JJAARM Cc1ccccc1Cc1[n-]n(-c2ccccc2C)c(=O)c1C=C1NC(=O)N(Cc2ccccc2)C1=O ZINC000035829413 569712891 /nfs/dbraw/zinc/71/28/91/569712891.db2.gz WVHMAKSHZUIRDJ-UQQQWYQISA-N -1 0 478.552 4.878 50 0 JJAARM Cc1ccc(CN2C(=O)NC(=Cc3c(Cc4ccccc4)[n-]n(-c4ccccc4)c3=O)C2=O)cc1 ZINC000035829457 569712913 /nfs/dbraw/zinc/71/29/13/569712913.db2.gz ZFNVZUMMXYHHDB-UQQQWYQISA-N -1 0 464.525 4.570 50 0 JJAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cc4ccc(C)cc4nc3Cl)C2)c(OC)c1 ZINC000089665917 569719508 /nfs/dbraw/zinc/71/95/08/569719508.db2.gz SILBFNOWHIOYJO-NRFANRHFSA-N -1 0 481.936 4.756 50 0 JJAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000089884844 569720378 /nfs/dbraw/zinc/72/03/78/569720378.db2.gz PWNLSVJQDQTXKH-UHFFFAOYSA-N -1 0 494.960 4.762 50 0 JJAARM COc1ccc(CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1OC ZINC000095749249 569728690 /nfs/dbraw/zinc/72/86/90/569728690.db2.gz MPPZZKBAHVJGRQ-QHCPKHFHSA-N -1 0 461.514 4.628 50 0 JJAARM COc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccccc5)oc4c32)c(OC)c1OC ZINC000096115178 569734187 /nfs/dbraw/zinc/73/41/87/569734187.db2.gz BHIKRVFJIGDZEN-MRXNPFEDSA-N -1 0 474.465 4.632 50 0 biogenic JJAARM O=C1C[C@H](c2cc(F)c(F)c(F)c2)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096115775 569734722 /nfs/dbraw/zinc/73/47/22/569734722.db2.gz NQWRHWZFTFXGTK-CYBMUJFWSA-N -1 0 454.356 4.730 50 0 biogenic JJAARM COc1ccc(Cn2c(=O)c3ccc(C(=O)N[C@@H]4CCC[C@@H](C)[C@H]4C)cc3[n-]c2=S)cc1 ZINC000036064658 569756696 /nfs/dbraw/zinc/75/66/96/569756696.db2.gz PIMNAKSCTYQHCF-WHSLLNHNSA-N -1 0 451.592 4.670 50 0 JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)N[C@@H]4CCC[C@H](C)[C@H]4C)c3=O)c2c1 ZINC000036092918 569756761 /nfs/dbraw/zinc/75/67/61/569756761.db2.gz QZYYJTASRLKQIG-HDMKZQKVSA-N -1 0 456.612 4.660 50 0 JJAARM CCc1cccc(C(C)C)c1NC(=O)C(=O)C(=C([O-])c1ccccc1O)[C@@H]1OC(=O)c2ccccc21 ZINC000100721769 569767745 /nfs/dbraw/zinc/76/77/45/569767745.db2.gz VWZPYIZREPALSR-YIXXDRMTSA-N -1 0 485.536 4.996 50 0 JJAARM COCCn1c2ccc(C)cc2s/c1=N\C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000100872379 569773075 /nfs/dbraw/zinc/77/30/75/569773075.db2.gz HKWAVKJTROPWMX-QPLCGJKRSA-N -1 0 495.626 4.508 50 0 JJAARM Cc1ccc(N2N=C(C(=O)c3ccccc3)C3=C([O-])N(c4cccc(Cl)c4C)C(=O)[C@H]32)cc1 ZINC000100893405 569774549 /nfs/dbraw/zinc/77/45/49/569774549.db2.gz QKUJSRDZUJTHIE-GMAHTHKFSA-N -1 0 457.917 4.574 50 0 JJAARM CS(=O)(=O)[N-]c1nc2n(n1)[C@@H](c1ccc(Cl)cc1Cl)CC(c1ccc(Cl)cc1)=N2 ZINC000101032969 569780125 /nfs/dbraw/zinc/78/01/25/569780125.db2.gz ZFCAVFBYMRTIHO-MRXNPFEDSA-N -1 0 470.769 4.666 50 0 JJAARM CC(C)(C)c1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@@H]3c2ccc(C(=O)[O-])cc2)cc1 ZINC000101167945 569785639 /nfs/dbraw/zinc/78/56/39/569785639.db2.gz JBURKYIKXPYQRD-QHCPKHFHSA-N -1 0 452.514 4.940 50 0 JJAARM O=C([O-])c1ccc([C@@H]2Nc3ccc(Br)cc3-c3nc(=O)c(-c4ccc(F)cc4)nn32)cc1 ZINC000101459237 569798398 /nfs/dbraw/zinc/79/83/98/569798398.db2.gz DHUICVAYVONAAB-HXUWFJFHSA-N -1 0 493.292 4.545 50 0 JJAARM COc1ccc([C@@H]2CC(c3c([O-])[nH]c(=S)n(C)c3=O)=Nc3ccccc3S2)c(OC)c1 ZINC000101494742 569799863 /nfs/dbraw/zinc/79/98/63/569799863.db2.gz ZZJZFUKPIXOZBU-SFHVURJKSA-N -1 0 455.561 4.524 50 0 JJAARM O=c1[nH]c(=O)n(Cc2ccccc2)c([O-])c1C1=Nc2ccccc2S[C@H](c2ccccc2)C1 ZINC000101494814 569800101 /nfs/dbraw/zinc/80/01/01/569800101.db2.gz MYTGIYXZBKMSGF-QFIPXVFZSA-N -1 0 455.539 4.648 50 0 JJAARM COc1cc([C@@H]2CC(c3c([O-])n(C)c(=S)n(C)c3=O)=Nc3ccccc3S2)cc(OC)c1OC ZINC000101495089 569800135 /nfs/dbraw/zinc/80/01/35/569800135.db2.gz JAJNUMQAZHDWIN-IBGZPJMESA-N -1 0 499.614 4.543 50 0 JJAARM O=c1[nH]c(=O)n(Cc2ccccc2)c([O-])c1C1=Nc2ccccc2S[C@@H](c2ccccc2)C1 ZINC000101494816 569800159 /nfs/dbraw/zinc/80/01/59/569800159.db2.gz MYTGIYXZBKMSGF-JOCHJYFZSA-N -1 0 455.539 4.648 50 0 JJAARM COc1ccc([C@@H]2CC(c3c([O-])[nH]c(=S)n(C)c3=O)=Nc3ccccc3S2)cc1OC ZINC000101495524 569800457 /nfs/dbraw/zinc/80/04/57/569800457.db2.gz PUPXBROTWRPGTD-SFHVURJKSA-N -1 0 455.561 4.524 50 0 JJAARM COc1ccc(OC)c([C@@H]2CC(c3c([O-])[nH]c(=S)n(C)c3=O)=Nc3ccccc3S2)c1 ZINC000101495601 569800746 /nfs/dbraw/zinc/80/07/46/569800746.db2.gz KLGZDGODXLWTOY-SFHVURJKSA-N -1 0 455.561 4.524 50 0 JJAARM COc1cccc(NC(=O)Cc2c(C)[n-]n(-c3nc(-c4ccc(Cl)cc4)cs3)c2=O)c1 ZINC000101505750 569801175 /nfs/dbraw/zinc/80/11/75/569801175.db2.gz NSICRUIFVNVBJX-UHFFFAOYSA-N -1 0 454.939 4.853 50 0 JJAARM CCS(=O)(=O)[N-]c1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(c1ccc(Br)cc1)=N2 ZINC000101520257 569801277 /nfs/dbraw/zinc/80/12/77/569801277.db2.gz GSRKQINRTWBTSQ-QGZVFWFLSA-N -1 0 494.802 4.512 50 0 JJAARM CCOC(=O)c1cccc(NC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(C)cc5)nc-4c3c2)c1 ZINC000101828098 569805514 /nfs/dbraw/zinc/80/55/14/569805514.db2.gz IDTRDVXQHYJFFJ-UHFFFAOYSA-N -1 0 466.497 4.556 50 0 JJAARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1CCC(=O)N1CCc2ccccc2C1 ZINC000101832907 569805630 /nfs/dbraw/zinc/80/56/30/569805630.db2.gz MBRAKVUBFBXSKT-UHFFFAOYSA-N -1 0 458.587 4.836 50 0 JJAARM Cc1ccc(C2=Nc3nc([N-]S(=O)(=O)c4ccccc4)nn3[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000101836486 569805997 /nfs/dbraw/zinc/80/59/97/569805997.db2.gz AQPHBYXUFXWCLH-JOCHJYFZSA-N -1 0 461.522 4.582 50 0 JJAARM CC(=O)N1c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3C)c(Br)cc2C[C@@H]1C ZINC000040450644 569828713 /nfs/dbraw/zinc/82/87/13/569828713.db2.gz OBIGJQRBMVSMKX-JTQLQIEISA-N -1 0 457.777 4.509 50 0 JJAARM O=C1N[C@H](c2ccc(-c3ccc(Cl)cc3)o2)C(=C(O)c2ccc(F)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000103174007 569833638 /nfs/dbraw/zinc/83/36/38/569833638.db2.gz BYUUQPHVFHKFIX-WAOWUJCRSA-N -1 0 482.817 4.843 50 0 JJAARM COc1ccc(C2C(=O)C(=O)N(CCc3ccc(OC)c(OC)c3)[C@H]2c2ccc(C(=O)[O-])cc2)cc1 ZINC000045942063 569840735 /nfs/dbraw/zinc/84/07/35/569840735.db2.gz MIVGIZAJBSAHHZ-VWLOTQADSA-N -1 0 489.524 4.506 50 0 JJAARM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000137767679 569865194 /nfs/dbraw/zinc/86/51/94/569865194.db2.gz QZXIZLNPZVLRRS-JIMJEQGWSA-N -1 0 450.494 4.900 50 0 JJAARM Cc1ccc([C@@H]2c3c(O)n(-c4cccc(Br)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000137833032 569865369 /nfs/dbraw/zinc/86/53/69/569865369.db2.gz ZBBNWERRMZMRTL-BHDDXSALSA-N -1 0 463.331 4.809 50 0 JJAARM Cc1c(O[C@@H](C)C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000238900244 570047458 /nfs/dbraw/zinc/04/74/58/570047458.db2.gz IDPOBLGKQBGXKZ-BVSLBCMMSA-N -1 0 491.584 4.775 50 0 JJAARM O=C1[C@@H]2ON(c3ccccc3)[C@H](C=Cc3ccccc3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000245238278 570057463 /nfs/dbraw/zinc/05/74/63/570057463.db2.gz IOHXZAQEYNFZBB-WHVIEJHBSA-N -1 0 475.342 4.841 50 0 JJAARM CC(=O)[C@@H]1[C@H](C(=O)c2ccccc2F)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000245313063 570063912 /nfs/dbraw/zinc/06/39/12/570063912.db2.gz ZKNBHWFVWAVUHP-AQWTWLKTSA-N -1 0 466.512 4.696 50 0 JJAARM [NH3+][C@H](CS[C@H](/C=C/C=C/C=C/C/C=C/CCCCC(F)(F)F)[C@H](O)CCCC(=O)[O-])C(=O)[O-] ZINC000247712462 570069018 /nfs/dbraw/zinc/06/90/18/570069018.db2.gz KOJLKTXOQDHBBV-JGPCAMBVSA-N -1 0 493.588 4.854 50 0 JJAARM COc1ccc(O)c(C(C)N=Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[N+](=O)[O-])c1 ZINC000252510596 570082697 /nfs/dbraw/zinc/08/26/97/570082697.db2.gz ANSOKOFPRSQFRQ-UHFFFAOYSA-N -1 0 490.925 4.599 50 0 JJAARM O=C1C[C@@H](c2ccc3c(c2)OCO3)c2c(cc([O-])c3c(=O)c(-c4ccc(Cl)cc4)coc32)O1 ZINC000253412679 570097973 /nfs/dbraw/zinc/09/79/73/570097973.db2.gz RSEMBESAIMMONN-HNNXBMFYSA-N -1 0 462.841 4.989 50 0 JJAARM Cc1cc2oc(=O)c3c(c2c2c1[C@@H](c1ccc(-c4ccc(C(=O)[O-])cc4)o1)CC(=O)O2)CCC3 ZINC000263585118 570170943 /nfs/dbraw/zinc/17/09/43/570170943.db2.gz FHTDSUOIESOUSH-GOSISDBHSA-N -1 0 456.450 4.989 50 0 JJAARM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3ccc(O)c(Cl)c3)CC(=O)O4)c2=O)cc1OC ZINC000263585759 570171361 /nfs/dbraw/zinc/17/13/61/570171361.db2.gz MDQAVLNSRPXICA-AWEZNQCLSA-N -1 0 494.883 4.983 50 0 JJAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CCSc2ccccc2)cc1 ZINC000001147243 194048564 /nfs/dbraw/zinc/04/85/64/194048564.db2.gz AKUALESYQVWTSM-UHFFFAOYSA-N -1 0 456.589 4.925 50 0 JJAARM COc1cc(NC(=O)c2ccccc2)c(OC)cc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000001140269 194044480 /nfs/dbraw/zinc/04/44/80/194044480.db2.gz FCTZSCQNFPCRJU-UHFFFAOYSA-N -1 0 491.363 4.519 50 0 JJAARM O=S(=O)([N-]c1ccc(F)cc1)c1cc(S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000001196099 194067327 /nfs/dbraw/zinc/06/73/27/194067327.db2.gz NJBUHPINAQYAGA-UHFFFAOYSA-N -1 0 460.335 4.766 50 0 JJAARM Cc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000001196499 194067383 /nfs/dbraw/zinc/06/73/83/194067383.db2.gz CVCSKJQGVAZBKC-UHFFFAOYSA-N -1 0 489.347 4.509 50 0 JJAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)cc2)n1 ZINC000001176960 194062002 /nfs/dbraw/zinc/06/20/02/194062002.db2.gz HJSNEZYVAMTKQL-OVCLIPMQSA-N -1 0 464.591 4.844 50 0 JJAARM O=C([O-])CCCC(=O)N1N=C(c2ccccc2)C[C@H]1c1cc2cc3c(cc2nc1Cl)OCCO3 ZINC000001295687 194082046 /nfs/dbraw/zinc/08/20/46/194082046.db2.gz NQPHGYAUNVZCCQ-FQEVSTJZSA-N -1 0 479.920 4.592 50 0 JJAARM CCCCOc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1 ZINC000001779129 194138704 /nfs/dbraw/zinc/13/87/04/194138704.db2.gz ALWLYTUKAPUQNQ-OVCLIPMQSA-N -1 0 480.590 4.725 50 0 JJAARM CCCC[C@@H](NC(=O)CCc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4)C(=O)[O-] ZINC000002097008 194156940 /nfs/dbraw/zinc/15/69/40/194156940.db2.gz BDYIBNLTWCWDBK-HXUWFJFHSA-N -1 0 453.535 4.727 50 0 biogenic JJAARM CCc1ccc(-n2c3nc(SCC(=O)[O-])n(-c4ccccc4)c(=O)c3sc2=S)cc1 ZINC000002479397 194161778 /nfs/dbraw/zinc/16/17/78/194161778.db2.gz YUUBPKKFZCGTOV-UHFFFAOYSA-N -1 0 455.586 4.706 50 0 JJAARM CCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CC2CCC(C(=O)[O-])CC2)cc1 ZINC000002932341 194173626 /nfs/dbraw/zinc/17/36/26/194173626.db2.gz KUNGPMMXSOVGPN-UHFFFAOYSA-N -1 0 485.631 4.642 50 0 JJAARM O=C(CCCCCn1c(=O)c2cc(Br)ccc2[n-]c1=S)NC1CCCCCC1 ZINC000002973888 194190173 /nfs/dbraw/zinc/19/01/73/194190173.db2.gz UJTFWLMASYIZTA-UHFFFAOYSA-N -1 0 466.445 4.847 50 0 JJAARM O=C([O-])COc1ccc(Br)cc1/C=C1\SC(=O)N(Cc2ccc(Cl)cc2)C1=O ZINC000002994643 194197713 /nfs/dbraw/zinc/19/77/13/194197713.db2.gz GWNJSDGJHRSQFT-PXNMLYILSA-N -1 0 482.739 4.802 50 0 JJAARM COc1ccc(Cn2c(C)nc3c2cc(C)c(C)c3[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000003133394 194230032 /nfs/dbraw/zinc/23/00/32/194230032.db2.gz XEPGCWKMLYVXCE-UHFFFAOYSA-N -1 0 453.539 4.958 50 0 JJAARM O=C(c1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCc2ccccc2C1 ZINC000003234373 194246549 /nfs/dbraw/zinc/24/65/49/194246549.db2.gz QXQGODKUYYPFJC-UHFFFAOYSA-N -1 0 461.370 4.993 50 0 JJAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000003271338 194258349 /nfs/dbraw/zinc/25/83/49/194258349.db2.gz FHNUSRKBLDIWIP-UHFFFAOYSA-N -1 0 491.411 4.634 50 0 JJAARM Cc1ccc(C)c(-n2c(SCC(=O)N[C@H](C(=O)[O-])C(C)C)nnc2-c2cccc(Cl)c2)c1 ZINC000003277397 194260706 /nfs/dbraw/zinc/26/07/06/194260706.db2.gz JFWJDYXKMJMTTC-FQEVSTJZSA-N -1 0 472.998 4.522 50 0 JJAARM Cc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c(C)c1 ZINC000003282938 194262747 /nfs/dbraw/zinc/26/27/47/194262747.db2.gz BOZXFDRAZGOCFB-UHFFFAOYSA-N -1 0 462.531 4.562 50 0 JJAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccccc1)c1ccc(Br)s1 ZINC000003328461 194284471 /nfs/dbraw/zinc/28/44/71/194284471.db2.gz ZKEDKXRZMLMDGP-UHFFFAOYSA-N -1 0 461.366 4.998 50 0 JJAARM COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3ccccc3c2)c(OC)c1 ZINC000003348344 194294781 /nfs/dbraw/zinc/29/47/81/194294781.db2.gz UEHUUDHUTLPZCY-UHFFFAOYSA-N -1 0 462.527 4.910 50 0 JJAARM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCCOC(C)C)c(Cl)cc2Cl)c1 ZINC000003375486 194307241 /nfs/dbraw/zinc/30/72/41/194307241.db2.gz HPLJAHBMEFHQGP-UHFFFAOYSA-N -1 0 459.395 4.648 50 0 JJAARM Cc1c(C)c(NC(=O)c2ccc(Br)cc2)cc(S(=O)(=O)c2ccccc2)c1[O-] ZINC000003620696 194341938 /nfs/dbraw/zinc/34/19/38/194341938.db2.gz SGMVGZYMBLZDQO-UHFFFAOYSA-N -1 0 460.349 4.857 50 0 JJAARM CCOc1cc([C@H]2N[C@@H](C(=O)[O-])CS2)cc(Br)c1OCc1ccc(C)cc1 ZINC000003642639 194347596 /nfs/dbraw/zinc/34/75/96/194347596.db2.gz VSVHGFDNWLSQST-APWZRJJASA-N -1 0 452.370 4.523 50 0 JJAARM Cc1ccc(-c2ccc(OCC(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)cc2)cc1 ZINC000003947388 194366909 /nfs/dbraw/zinc/36/69/09/194366909.db2.gz HQVWMRWLRIGKEU-UHFFFAOYSA-N -1 0 479.583 4.937 50 0 JJAARM C[C@@H](Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)C(=O)NCC1CCC(C(=O)[O-])CC1 ZINC000009235350 194621543 /nfs/dbraw/zinc/62/15/43/194621543.db2.gz PXQVEEGGBCBFCF-KLHKWILBSA-N -1 0 483.948 4.888 50 0 JJAARM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)N[C@@H](C)c2cccs2)c(C)c1 ZINC000009378533 194725116 /nfs/dbraw/zinc/72/51/16/194725116.db2.gz FYQWNKJTGOXZJB-SFHVURJKSA-N -1 0 486.615 4.508 50 0 JJAARM CCOc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)ccc1OCC(=O)[O-] ZINC000009944298 195030548 /nfs/dbraw/zinc/03/05/48/195030548.db2.gz NOSPVHVIBGIXSI-LPYMAVHISA-N -1 0 463.511 4.938 50 0 JJAARM Cc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1S(=O)(=O)Nc1ccccc1F ZINC000012604602 195049548 /nfs/dbraw/zinc/04/95/48/195049548.db2.gz ZIZGBNKQRXKCGA-UHFFFAOYSA-N -1 0 488.484 4.755 50 0 JJAARM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000012605005 195050193 /nfs/dbraw/zinc/05/01/93/195050193.db2.gz JQTSYFJXUKOCSO-UHFFFAOYSA-N -1 0 457.360 4.595 50 0 JJAARM COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)c(OC)c2C(=O)[O-])cc1OC ZINC000012660262 195080067 /nfs/dbraw/zinc/08/00/67/195080067.db2.gz IHNSIYZSOLOHHM-AFMDSPMNSA-N -1 0 490.512 4.662 50 0 biogenic JJAARM COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)c(OC)c2C(=O)[O-])cc1OC ZINC000012660263 195080125 /nfs/dbraw/zinc/08/01/25/195080125.db2.gz IHNSIYZSOLOHHM-NIYFSFCBSA-N -1 0 490.512 4.662 50 0 biogenic JJAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)NCCc1c(C)cc(C(C)(C)C)cc1C ZINC000012692677 195089135 /nfs/dbraw/zinc/08/91/35/195089135.db2.gz IPCGAVVQGBYISL-UHFFFAOYSA-N -1 0 451.586 4.819 50 0 JJAARM CCOc1c(Br)cc(Cl)cc1[N-]S(=O)(=O)c1cc(NC(C)=O)ccc1C ZINC000012813011 195145288 /nfs/dbraw/zinc/14/52/88/195145288.db2.gz JTSPHHZCJKMYAA-UHFFFAOYSA-N -1 0 461.765 4.569 50 0 JJAARM COc1cc(NC(=O)c2ccccc2C)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000021353353 195297073 /nfs/dbraw/zinc/29/70/73/195297073.db2.gz JWJFPXWNDGPTGA-UHFFFAOYSA-N -1 0 453.545 4.666 50 0 JJAARM CC(=O)Nc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2sc(NC(=O)c3ccc(C)cc3)nc2c1 ZINC000021356958 195297963 /nfs/dbraw/zinc/29/79/63/195297963.db2.gz KIQJBNHHRBCIJY-UHFFFAOYSA-N -1 0 494.598 4.925 50 0 JJAARM CC(C)(C)OC(=O)N1CCC([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])CC1 ZINC000015446376 518802448 /nfs/dbraw/zinc/80/24/48/518802448.db2.gz ATJZZVCJRHLAGA-HSZRJFAPSA-N -1 0 480.561 4.625 50 0 JJAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(-c3ccccc3)cc2Br)C[C@H]1C(=O)[O-] ZINC000042783090 518817114 /nfs/dbraw/zinc/81/71/14/518817114.db2.gz PRXSXPQOWIKYEW-WMZOPIPTSA-N -1 0 462.340 4.958 50 0 JJAARM CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000004262049 518829618 /nfs/dbraw/zinc/82/96/18/518829618.db2.gz UMRUUWFGLGNQLI-QFIPXVFZSA-N -1 0 468.550 4.673 50 0 JJAARM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc3nnc(-c4cccc(Br)c4)n3n2)cc1 ZINC000033277245 519442415 /nfs/dbraw/zinc/44/24/15/519442415.db2.gz RUANCPXLMTXCCZ-UHFFFAOYSA-N -1 0 486.395 4.553 50 0 JJAARM CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4ccccc4)CC3)c(C(=O)[O-])c2)cc1 ZINC000033253095 519443902 /nfs/dbraw/zinc/44/39/02/519443902.db2.gz FFLUOLGTDQFMOD-UHFFFAOYSA-N -1 0 493.629 4.711 50 0 JJAARM CC(C)c1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4ccc(F)cc4)CC3)c(C(=O)[O-])c2)cc1 ZINC000033253052 519838825 /nfs/dbraw/zinc/83/88/25/519838825.db2.gz TUGBRMKUWNZGIE-UHFFFAOYSA-N -1 0 497.592 4.775 50 0 JJAARM CCCOC(=O)c1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009009324 520223934 /nfs/dbraw/zinc/22/39/34/520223934.db2.gz WBMUSFPQXIUMDM-UHFFFAOYSA-N -1 0 480.521 4.880 50 0 JJAARM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2Cc1ccccc1 ZINC000008840675 520927472 /nfs/dbraw/zinc/92/74/72/520927472.db2.gz KXKCDXLPXCCBJT-UHFFFAOYSA-N -1 0 450.560 4.674 50 0 JJAARM CCOc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000006146156 521119456 /nfs/dbraw/zinc/11/94/56/521119456.db2.gz YQMJLNINKQMKQP-UHFFFAOYSA-N -1 0 475.364 4.901 50 0 JJAARM CCOC(=O)[C@@H]1CCCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2Cl)C1 ZINC000036370404 521121351 /nfs/dbraw/zinc/12/13/51/521121351.db2.gz QBXWPHPCMVDGLK-KDOFPFPSSA-N -1 0 486.981 4.774 50 0 JJAARM CCOc1ccc([N-]S(=O)(=O)c2ccc(/C=C/c3onc(C)c3NC(=O)CC)s2)cc1 ZINC000033306516 521131173 /nfs/dbraw/zinc/13/11/73/521131173.db2.gz QDWMTXFQJYTKBY-ZRDIBKRKSA-N -1 0 461.565 4.763 50 0 JJAARM CCC(=O)Nc1c(C)noc1C=Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)s1 ZINC000033306485 521192878 /nfs/dbraw/zinc/19/28/78/521192878.db2.gz DZMXGOJUHUIOFH-PKNBQFBNSA-N -1 0 459.549 4.567 50 0 JJAARM CCC(=O)Nc1c(C)noc1C=Cc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)s1 ZINC000033306540 521195659 /nfs/dbraw/zinc/19/56/59/521195659.db2.gz FGXKXADJYVEDLR-CSKARUKUSA-N -1 0 459.549 4.567 50 0 JJAARM CCCc1c(C)nc2ncnn2c1Sc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000033122363 521337484 /nfs/dbraw/zinc/33/74/84/521337484.db2.gz FBHYWHFWGKZHSY-UHFFFAOYSA-N -1 0 474.011 4.991 50 0 JJAARM CCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1C(=O)[O-] ZINC000035479630 521376694 /nfs/dbraw/zinc/37/66/94/521376694.db2.gz XMJDUUKXCQTRMZ-UHFFFAOYSA-N -1 0 453.564 4.532 50 0 JJAARM CCOc1ccccc1[N-]S(=O)(=O)c1c2oc(C(=O)N3CCCC3)c(C)c2cc(C)c1C ZINC000065010528 521553683 /nfs/dbraw/zinc/55/36/83/521553683.db2.gz LIKYRCQUALDYGF-UHFFFAOYSA-N -1 0 456.564 4.794 50 0 JJAARM COc1cc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(Br)cc3)n2)cc(OC)c1OC ZINC000020492151 521894551 /nfs/dbraw/zinc/89/45/51/521894551.db2.gz GZQXONGSTSIIRY-UHFFFAOYSA-N -1 0 484.306 4.778 50 0 JJAARM COc1cc(/C=C(/C(=O)[O-])c2ccc(S(=O)(=O)N3CCCC3)s2)ccc1OCCC(C)C ZINC000033499292 521921892 /nfs/dbraw/zinc/92/18/92/521921892.db2.gz IDJCUWCWVPWWJR-NBVRZTHBSA-N -1 0 479.620 4.591 50 0 JJAARM CCc1nc2sc([C@@H](c3cccc(Br)c3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000022854516 522533781 /nfs/dbraw/zinc/53/37/81/522533781.db2.gz GUEUJCRVIDHDFV-HXUWFJFHSA-N -1 0 498.450 4.733 50 0 JJAARM CCc1nc2sc([C@@H](c3ccc(Br)cc3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000022854521 522535475 /nfs/dbraw/zinc/53/54/75/522535475.db2.gz QQXNYTSGQOSLDV-HXUWFJFHSA-N -1 0 498.450 4.733 50 0 JJAARM COc1cc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccccc4)cs3)n(C)c2C)cc(OC)c1 ZINC000065008663 522752821 /nfs/dbraw/zinc/75/28/21/522752821.db2.gz FVZVTWGOGBNINA-UHFFFAOYSA-N -1 0 469.588 4.942 50 0 JJAARM COc1cc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccccc4)cs3)n(C)c2C)cc(OC)c1OC ZINC000065008674 522753108 /nfs/dbraw/zinc/75/31/08/522753108.db2.gz JNHWRLOZZAMCNZ-UHFFFAOYSA-N -1 0 499.614 4.951 50 0 JJAARM COc1cc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2cc(C(F)(F)F)on2)cc(OC)c1 ZINC000033299331 522753509 /nfs/dbraw/zinc/75/35/09/522753509.db2.gz GIZOBCDTSQZGAX-UHFFFAOYSA-N -1 0 462.471 4.857 50 0 JJAARM COc1cc(OC)c([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4Cl)c32)cc1OC ZINC000040266282 522834313 /nfs/dbraw/zinc/83/43/13/522834313.db2.gz JFCVYGSTLLFZJB-CYBMUJFWSA-N -1 0 456.882 4.978 50 0 JJAARM COc1ccc(-c2cnn3c2nc(C)cc3C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000033171409 523155919 /nfs/dbraw/zinc/15/59/19/523155919.db2.gz RLZYCTOEUXFNBH-UHFFFAOYSA-N -1 0 456.955 4.784 50 0 JJAARM CCn1nc(C)c(CCN(C)c2ccc(NC(=O)c3ccccc3Cl)cc2C(=O)[O-])c1C ZINC000046053608 523632375 /nfs/dbraw/zinc/63/23/75/523632375.db2.gz BAAFJPHHEGQQPQ-UHFFFAOYSA-N -1 0 454.958 4.803 50 0 JJAARM CCn1nc(C)c(CCN(C)c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2c(C)cc(C)cc2C)c1C ZINC000033254133 523632884 /nfs/dbraw/zinc/63/28/84/523632884.db2.gz XQPMBHCOYPGQJU-UHFFFAOYSA-N -1 0 498.649 4.623 50 0 JJAARM CCn1nc(C)c(CCN(C)c2ccc(NC(=O)c3cccc(Cl)c3)cc2C(=O)[O-])c1C ZINC000046053619 523633715 /nfs/dbraw/zinc/63/37/15/523633715.db2.gz PAEPRRARWZJGBQ-UHFFFAOYSA-N -1 0 454.958 4.803 50 0 JJAARM CN1C(=O)[C@@]2(CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(Cl)cc2)c2cc(F)ccc21 ZINC000036359378 523724969 /nfs/dbraw/zinc/72/49/69/523724969.db2.gz QAKHDNODZPCVDW-QFIPXVFZSA-N -1 0 456.882 4.511 50 0 JJAARM COc1ccc(C(=O)Nc2ccc3nc(N4CCN(c5cccc(C)c5)CC4)cc(C(=O)[O-])c3c2)cc1 ZINC000033260860 523756231 /nfs/dbraw/zinc/75/62/31/523756231.db2.gz GONWAMDWUUEAJF-UHFFFAOYSA-N -1 0 496.567 4.829 50 0 JJAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(/C=C/c2onc(C)c2NC(=O)C2CC2)s1 ZINC000033306663 523844749 /nfs/dbraw/zinc/84/47/49/523844749.db2.gz BNIVHZUXUZQWOY-JXMROGBWSA-N -1 0 473.576 4.681 50 0 JJAARM Cc1cccc(CNC(=O)CCc2nnc(-c3ccc(OCc4ccccc4F)cc3)[n-]c2=O)c1 ZINC000034763029 524415993 /nfs/dbraw/zinc/41/59/93/524415993.db2.gz MBLKLVSEQRODAL-UHFFFAOYSA-N -1 0 472.520 4.520 50 0 JJAARM COc1ccccc1N1C(=O)[N-]C(=O)[C@@](CCc2ccncc2)(Cc2cccc3ccccc32)C1=O ZINC000016293640 524536162 /nfs/dbraw/zinc/53/61/62/524536162.db2.gz VEKDNPOLEXUUAX-GDLZYMKVSA-N -1 0 479.536 4.688 50 0 JJAARM Cc1cccc(N2CCN(c3cc(C(=O)[O-])c4cc(NC(=O)c5ccc(F)cc5)ccc4n3)CC2)c1 ZINC000033260637 524560338 /nfs/dbraw/zinc/56/03/38/524560338.db2.gz FPWSNTNXCLIMQS-UHFFFAOYSA-N -1 0 484.531 4.959 50 0 JJAARM COc1ccc(NC(=O)c2ccc(-n3cccc3)cc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000016179192 524631404 /nfs/dbraw/zinc/63/14/04/524631404.db2.gz JGIGCSKSAKJCCK-UHFFFAOYSA-N -1 0 465.506 4.678 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccccc2Br)cc1 ZINC000006141978 524641068 /nfs/dbraw/zinc/64/10/68/524641068.db2.gz IXZVJURQRLGOHI-NTCAYCPXSA-N -1 0 487.375 4.910 50 0 JJAARM COc1ccc(NC(=O)c2ccoc2C)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000014844036 524647650 /nfs/dbraw/zinc/64/76/50/524647650.db2.gz IBDQZNIXRXSREL-UHFFFAOYSA-N -1 0 455.319 4.957 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2cc(/C=C\c3onc(C)c3NC(C)=O)ccc2OC)cc1Cl ZINC000033170681 524687168 /nfs/dbraw/zinc/68/71/68/524687168.db2.gz MVOFLUVRGYVNKP-TWGQIWQCSA-N -1 0 491.953 4.583 50 0 JJAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(F)c(Cl)c2)cc1 ZINC000017250318 525089123 /nfs/dbraw/zinc/08/91/23/525089123.db2.gz SMZMZGRKNFBUGY-UHFFFAOYSA-N -1 0 458.902 4.975 50 0 JJAARM COc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)c(C(=O)[O-])c1OC ZINC000013552375 525433101 /nfs/dbraw/zinc/43/31/01/525433101.db2.gz QACXDMIPLZGVQY-UQBPGWFLSA-N -1 0 478.476 4.792 50 0 JJAARM Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(c3ccccc3C(=O)[O-])C(=O)N21 ZINC000008790085 525449003 /nfs/dbraw/zinc/44/90/03/525449003.db2.gz OZJDDXDYPQXHOY-UPVQGACJSA-N -1 0 451.482 4.657 50 0 biogenic JJAARM Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccccc3C(C)C)cn2CC(=O)N2CCCCC2)n1 ZINC000033307614 526300740 /nfs/dbraw/zinc/30/07/40/526300740.db2.gz XMYLOUAMGNHFBM-UHFFFAOYSA-N -1 0 486.663 4.857 50 0 JJAARM O=C([O-])c1cc(N2CCN(c3ccccc3F)CC2)nc2ccc(NC(=O)Cc3cccs3)cc21 ZINC000033260799 526348444 /nfs/dbraw/zinc/34/84/44/526348444.db2.gz KSIZXPFFPQVCHK-UHFFFAOYSA-N -1 0 490.560 4.641 50 0 JJAARM O=C([O-])c1cc(N2CCN(Cc3ccccc3F)CC2)nc2ccc(NC(=O)C3CCCC3)cc21 ZINC000033260909 526348492 /nfs/dbraw/zinc/34/84/92/526348492.db2.gz IPPBCVPWBAOXJH-UHFFFAOYSA-N -1 0 476.552 4.523 50 0 JJAARM O=C([O-])c1cc(NC(=O)c2cccc(Cl)c2)ccc1N1CCN(Cc2cccc(F)c2)CC1 ZINC000033078820 526350744 /nfs/dbraw/zinc/35/07/44/526350744.db2.gz FFEADQSQATUCOW-UHFFFAOYSA-N -1 0 467.928 4.752 50 0 JJAARM O=C([O-])c1cc(NC(=O)c2ccccc2Cl)ccc1N1CCN(Cc2cccc(F)c2)CC1 ZINC000033078810 526351314 /nfs/dbraw/zinc/35/13/14/526351314.db2.gz OFVLAYUBRMUPTD-UHFFFAOYSA-N -1 0 467.928 4.752 50 0 JJAARM O=C([O-])c1ccc(N2CCC(Cc3ccccc3)CC2)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000033253833 526373871 /nfs/dbraw/zinc/37/38/71/526373871.db2.gz NMAAWKRAJCIHHC-UHFFFAOYSA-N -1 0 468.550 4.784 50 0 JJAARM O=C(CCc1ccc(-c2ccccc2F)o1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000008706627 526584467 /nfs/dbraw/zinc/58/44/67/526584467.db2.gz CBJFJIYZXYXDOX-UHFFFAOYSA-N -1 0 471.535 4.914 50 0 JJAARM O=C(c1cc2ccccc2cc1[N-]S(=O)(=O)c1cccs1)N1CCN(Cc2ccccc2)CC1 ZINC000022505351 526640232 /nfs/dbraw/zinc/64/02/32/526640232.db2.gz HEEJLBVSYVMZMM-UHFFFAOYSA-N -1 0 491.638 4.660 50 0 JJAARM O=C(NCc1cccc(Cl)c1)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000006146922 526715990 /nfs/dbraw/zinc/71/59/90/526715990.db2.gz ZNRNHQLRBRMGGQ-UHFFFAOYSA-N -1 0 479.783 4.833 50 0 JJAARM Cn1c2cc([N-]S(=O)(=O)c3cccs3)c(Sc3ccccc3Cl)cc2n(C)c1=O ZINC000045941097 527096550 /nfs/dbraw/zinc/09/65/50/527096550.db2.gz PSBDMRAVYNTORO-UHFFFAOYSA-N -1 0 466.009 4.544 50 0 JJAARM Cn1c2cc([N-]S(=O)(=O)c3ccc(F)cc3)c(Sc3ccccc3Cl)cc2n(C)c1=O ZINC000045941089 527096774 /nfs/dbraw/zinc/09/67/74/527096774.db2.gz CNTZLHMOUCYYFZ-UHFFFAOYSA-N -1 0 477.970 4.622 50 0 JJAARM Cn1c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)c(SC3CCCCC3)cc2n(C)c1=O ZINC000045941015 527096919 /nfs/dbraw/zinc/09/69/19/527096919.db2.gz PZLYYGWLLPZPQB-UHFFFAOYSA-N -1 0 466.028 4.756 50 0 JJAARM Cn1c2cc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c(Sc3ccc(Cl)cc3)cc2n(C)c1=O ZINC000045941195 527097425 /nfs/dbraw/zinc/09/74/25/527097425.db2.gz CSFFAPCALWVCQH-UHFFFAOYSA-N -1 0 495.960 4.761 50 0 JJAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccccc1Cl)c1cccc2nsnc21 ZINC000002413233 527259129 /nfs/dbraw/zinc/25/91/29/527259129.db2.gz REMSJAOIPCZLMK-UHFFFAOYSA-N -1 0 468.951 4.832 50 0 JJAARM O=C(Nc1cccc2nsnc21)c1cccc([N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000033170524 527389230 /nfs/dbraw/zinc/38/92/30/527389230.db2.gz PRHYOCASKNEIMM-UHFFFAOYSA-N -1 0 495.405 4.568 50 0 JJAARM O=C([O-])COc1ccc(Br)cc1/C=C1/SC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000033293812 527617571 /nfs/dbraw/zinc/61/75/71/527617571.db2.gz UTUGUFJAHXZQRP-OVCLIPMQSA-N -1 0 468.712 4.807 50 0 JJAARM Cc1nn(C)c(C)c1CCCN(C)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000046053561 527621527 /nfs/dbraw/zinc/62/15/27/527621527.db2.gz PMIGELQIHWVDRF-UHFFFAOYSA-N -1 0 454.958 4.710 50 0 JJAARM O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cc(Cl)ccc1Cl ZINC000000640018 553723412 /nfs/dbraw/zinc/72/34/12/553723412.db2.gz RHFRSDLXHFOXKB-UHFFFAOYSA-N -1 0 457.360 4.595 50 0 JJAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2)n1 ZINC000000670587 553745052 /nfs/dbraw/zinc/74/50/52/553745052.db2.gz MDZSGFGCXGNPMB-AWEZNQCLSA-N -1 0 495.388 4.607 50 0 JJAARM O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(Br)cc1 ZINC000000854386 553799307 /nfs/dbraw/zinc/79/93/07/553799307.db2.gz PRFNAXHRPXVAOF-KRWDZBQOSA-N -1 0 480.156 4.754 50 0 JJAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(-c4ccccc4)cc3)cc2)no1 ZINC000000935614 553873207 /nfs/dbraw/zinc/87/32/07/553873207.db2.gz OJGPRDJVIDLIDP-GOSISDBHSA-N -1 0 477.542 4.857 50 0 JJAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Oc3ccccc3)cc2)n1 ZINC000000947653 553879625 /nfs/dbraw/zinc/87/96/25/553879625.db2.gz KQIJOGBUFJTHHK-UHFFFAOYSA-N -1 0 474.542 4.939 50 0 JJAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C3c4ccccc4Oc4ccccc43)cc2)nc(C)n1 ZINC000000994703 553896987 /nfs/dbraw/zinc/89/69/87/553896987.db2.gz LPRYUQBKHCHILB-UHFFFAOYSA-N -1 0 486.553 4.771 50 0 JJAARM O=C([O-])c1ccc(NC(=S)N[C@H](NC(=O)c2cccc3ccccc32)C(Cl)(Cl)Cl)cc1 ZINC000001232955 553936352 /nfs/dbraw/zinc/93/63/52/553936352.db2.gz LKLIOTVDIZPHEM-IBGZPJMESA-N -1 0 496.803 4.951 50 0 JJAARM Cc1oc2cc3oc(=O)c(CCC(=O)N[C@H](C(=O)[O-])C(C)C)c(C)c3cc2c1-c1ccccc1 ZINC000002120415 554055357 /nfs/dbraw/zinc/05/53/57/554055357.db2.gz MJDNCDCSLAUWPT-VWLOTQADSA-N -1 0 461.514 4.981 50 0 biogenic JJAARM CCCCCn1c([N-]S(=O)(=O)c2ccccc2)c(C(=O)OCC)c2nc3ccccc3nc21 ZINC000002313110 554144142 /nfs/dbraw/zinc/14/41/42/554144142.db2.gz HZELKDZEUKHXOQ-UHFFFAOYSA-N -1 0 466.563 4.752 50 0 JJAARM COc1cc(OC)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000002323442 554148170 /nfs/dbraw/zinc/14/81/70/554148170.db2.gz WKICNHYJOLIFSW-UHFFFAOYSA-N -1 0 470.938 4.845 50 0 JJAARM Cc1cc(C)n(-c2ccc(S(=O)(=O)[N-]c3nc4ccccc4nc3N(C)Cc3ccccc3)cc2)n1 ZINC000002329018 554150422 /nfs/dbraw/zinc/15/04/22/554150422.db2.gz QZOCZJUXNGJYMG-UHFFFAOYSA-N -1 0 498.612 4.870 50 0 JJAARM CC(=O)Nc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000002344558 554158183 /nfs/dbraw/zinc/15/81/83/554158183.db2.gz IVGXLYJVNAUHNH-UHFFFAOYSA-N -1 0 461.547 4.749 50 0 JJAARM O=S(=O)([N-]c1nc2ccccc2nc1NCc1ccc(Cl)cc1)c1cccc2nsnc21 ZINC000002401739 554186345 /nfs/dbraw/zinc/18/63/45/554186345.db2.gz FGXDUPDOCDQNRS-UHFFFAOYSA-N -1 0 482.978 4.701 50 0 JJAARM O=C([O-])[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002562539 554236276 /nfs/dbraw/zinc/23/62/76/554236276.db2.gz DLOGILOIJKBYKA-KRWDZBQOSA-N -1 0 477.385 4.917 50 0 JJAARM O=C([O-])[C@H](Cc1ccc(Br)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 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CCOc1ccc([C@H](c2sc3nc(CC)nn3c2[O-])N2CCN(c3ccccc3F)CC2)cc1 ZINC000022854858 555961764 /nfs/dbraw/zinc/96/17/64/555961764.db2.gz VPURMHYFDVJZBO-JOCHJYFZSA-N -1 0 481.597 4.508 50 0 JJAARM COc1ccc(/C=C(\NC(=O)c2ccc(OCC(C)C)cc2)C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000012382356 555971130 /nfs/dbraw/zinc/97/11/30/555971130.db2.gz JSHYUASICBLXQB-MYYYXRDXSA-N -1 0 488.540 4.838 50 0 JJAARM COC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000015746582 555984657 /nfs/dbraw/zinc/98/46/57/555984657.db2.gz RCNGLQIRQLQASA-KGLIPLIRSA-N -1 0 464.337 4.570 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(-n3cccc3)c2)c1 ZINC000012532541 556003282 /nfs/dbraw/zinc/00/32/82/556003282.db2.gz ZWMMZCWLUUYKIU-UHFFFAOYSA-N -1 0 477.542 4.548 50 0 JJAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(C4CC4)nc4ccccc43)cc2)n1 ZINC000012532542 556003300 /nfs/dbraw/zinc/00/33/00/556003300.db2.gz RZGUEDMOQRWBOV-UHFFFAOYSA-N -1 0 473.558 4.572 50 0 JJAARM CSc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(F)cc2)cc1 ZINC000023118949 556012523 /nfs/dbraw/zinc/01/25/23/556012523.db2.gz ZDJACXVYXXCVLD-FQEVSTJZSA-N -1 0 455.532 4.879 50 0 JJAARM CSc1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(F)cc2)cc1 ZINC000023118951 556012615 /nfs/dbraw/zinc/01/26/15/556012615.db2.gz ZDJACXVYXXCVLD-HXUWFJFHSA-N -1 0 455.532 4.879 50 0 JJAARM Cc1cc(I)ccc1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000012541605 556015908 /nfs/dbraw/zinc/01/59/08/556015908.db2.gz KLBQCKYSUAOJNM-UHFFFAOYSA-N -1 0 486.556 4.816 50 0 JJAARM Cc1nn(CC(C)C)c2sc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)cc12 ZINC000012541722 556016186 /nfs/dbraw/zinc/01/61/86/556016186.db2.gz CDRXBPSDJUMXNT-UHFFFAOYSA-N -1 0 498.634 4.522 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(cc(NC(=O)CSc4nccc(C)n4)cc3C)s2)cc1 ZINC000015862046 556034907 /nfs/dbraw/zinc/03/49/07/556034907.db2.gz JUEHUXMSXBJKKI-UHFFFAOYSA-N -1 0 499.643 4.543 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2cc3ccccc3cc2OC)c1 ZINC000012552277 556035009 /nfs/dbraw/zinc/03/50/09/556035009.db2.gz YDBBINLAROHRDE-UHFFFAOYSA-N -1 0 462.527 4.910 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCc3sccc3[C@@H]2C)ccc1C ZINC000012560884 556053339 /nfs/dbraw/zinc/05/33/39/556053339.db2.gz IWUFVMWTANFOBP-INIZCTEOSA-N -1 0 456.589 4.625 50 0 JJAARM Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000012565437 556062322 /nfs/dbraw/zinc/06/23/22/556062322.db2.gz YIPXGRQDCMHEFI-KRWDZBQOSA-N -1 0 455.507 4.672 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(SCC(=O)Nc3cccc(C)c3C)nc2c1 ZINC000023542292 556077494 /nfs/dbraw/zinc/07/74/94/556077494.db2.gz FFIWXVVYYSTMQX-UHFFFAOYSA-N -1 0 497.598 4.985 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(NC(=O)CSCc2ccc(F)cc2)c1 ZINC000012583290 556080809 /nfs/dbraw/zinc/08/08/09/556080809.db2.gz FNKXYTQUFVBFTI-UHFFFAOYSA-N -1 0 474.579 4.815 50 0 JJAARM [O-]c1c([C@@H](c2ccc(Cl)cc2Cl)N2CCC(O)CC2)sc2nc(-c3ccco3)nn12 ZINC000023666938 556082602 /nfs/dbraw/zinc/08/26/02/556082602.db2.gz DXFHKFWBTKABDH-MRXNPFEDSA-N -1 0 465.362 4.609 50 0 JJAARM O=c1nc(CN2CCN(c3ccccc3O)CC2)[n-]c2cc(-c3ccc(Cl)cc3)sc21 ZINC000024972794 556166231 /nfs/dbraw/zinc/16/62/31/556166231.db2.gz TXVXQFCAMYYYAX-UHFFFAOYSA-N -1 0 452.967 4.745 50 0 JJAARM COc1ccc(NC(=O)c2cccn2Cc2ccccc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000024977030 556167048 /nfs/dbraw/zinc/16/70/48/556167048.db2.gz FYUAAGARUYXAMK-UHFFFAOYSA-N -1 0 479.533 4.737 50 0 JJAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 ZINC000017010259 556199842 /nfs/dbraw/zinc/19/98/42/556199842.db2.gz XPKVFTIJGPADSA-UHFFFAOYSA-N -1 0 450.560 4.706 50 0 JJAARM O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CCSC[C@@H]32)C(=O)N1c1cc(Cl)ccc1Cl ZINC000025185366 556204432 /nfs/dbraw/zinc/20/44/32/556204432.db2.gz WIDQGEBCSGTLEG-DYESRHJHSA-N -1 0 462.358 4.581 50 0 JJAARM Cc1ccc(S(=O)(=O)N2CCCc3cc([N-]S(=O)(=O)c4ccccc4Cl)ccc32)cc1 ZINC000017050776 556211694 /nfs/dbraw/zinc/21/16/94/556211694.db2.gz MOYDACQTRHEUCU-UHFFFAOYSA-N -1 0 477.007 4.591 50 0 JJAARM COc1ccc(C(=O)N2CCc3[nH]c4ccc(C)cc4c3C2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000025545037 556220004 /nfs/dbraw/zinc/22/00/04/556220004.db2.gz ZHPJNTFZYLRTRK-UHFFFAOYSA-N -1 0 489.597 4.793 50 0 JJAARM [NH3+][C@H](CS[C@@H](/C=C/C=C/C=C/C/C=C/CCCCC(F)(F)F)[C@@H](O)CCCC(=O)[O-])C(=O)[O-] ZINC000025725041 556231421 /nfs/dbraw/zinc/23/14/21/556231421.db2.gz KOJLKTXOQDHBBV-CQEFGOGHSA-N -1 0 493.588 4.854 50 0 JJAARM CC(=O)Nc1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000017180692 556234690 /nfs/dbraw/zinc/23/46/90/556234690.db2.gz VJQWVVVZGYXVRK-UHFFFAOYSA-N -1 0 467.938 4.786 50 0 JJAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCc2ccccc2Cl)cc1 ZINC000017205984 556240626 /nfs/dbraw/zinc/24/06/26/556240626.db2.gz IDQCTTIPCYEIAN-UHFFFAOYSA-N -1 0 454.939 4.705 50 0 JJAARM COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(C)ccc2C)cc1OC ZINC000017207843 556241098 /nfs/dbraw/zinc/24/10/98/556241098.db2.gz VNYFSJVVXVEQRH-UHFFFAOYSA-N -1 0 464.547 4.808 50 0 JJAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1cccc(Br)c1)c1ccccc1 ZINC000017248764 556247496 /nfs/dbraw/zinc/24/74/96/556247496.db2.gz INZPSMVLCJUNKO-UHFFFAOYSA-N -1 0 455.337 4.937 50 0 JJAARM COc1ccc(CCNc2nc3ccccc3nc2[N-]S(=O)(=O)c2cc(C)ccc2C)cc1OC ZINC000017248222 556247521 /nfs/dbraw/zinc/24/75/21/556247521.db2.gz DDPUEMLISVRWRN-UHFFFAOYSA-N -1 0 492.601 4.719 50 0 JJAARM CCCC(CCC)C(=O)Nc1cc(C)nn1-c1nc2c(cnn2-c2cccc(C)c2C)c(=O)[n-]1 ZINC000017269723 556249230 /nfs/dbraw/zinc/24/92/30/556249230.db2.gz FFMIHTRSOQCUJO-UHFFFAOYSA-N -1 0 461.570 4.787 50 0 JJAARM CCOc1ccc(-n2c3nc(SCC(=O)NCc4ccc(C)cc4)[n-]c(=O)c3sc2=S)cc1 ZINC000017315313 556256976 /nfs/dbraw/zinc/25/69/76/556256976.db2.gz AFEFPZXHNJGKSI-UHFFFAOYSA-N -1 0 498.655 4.620 50 0 JJAARM O=C([O-])c1ccc(S(=O)(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2Cl)cc1 ZINC000013068703 556265065 /nfs/dbraw/zinc/26/50/65/556265065.db2.gz BQOUDJGEXVZTEE-FQEVSTJZSA-N -1 0 454.935 4.630 50 0 JJAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2c3ccccc3oc2C(=O)c2ccc(F)cc2)c1 ZINC000027995384 556312407 /nfs/dbraw/zinc/31/24/07/556312407.db2.gz ASJDUMXILBRHSO-UHFFFAOYSA-N -1 0 455.463 4.621 50 0 JJAARM Cc1ccccc1CSc1ncc(Br)c(C(=O)Nc2cccc(C(=O)[O-])c2)n1 ZINC000028403825 556333022 /nfs/dbraw/zinc/33/30/22/556333022.db2.gz VGRQNVWJLKCENO-UHFFFAOYSA-N -1 0 458.337 4.790 50 0 JJAARM CC(C)(C)c1ccc(C(=O)COC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000013129515 556352669 /nfs/dbraw/zinc/35/26/69/556352669.db2.gz XCRSAKAHOLSXAM-UHFFFAOYSA-N -1 0 469.534 4.964 50 0 JJAARM COc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCc4nc(-c5ccc(OC)c(OC)c5)sc4C3)c2c1 ZINC000031813576 556406764 /nfs/dbraw/zinc/40/67/64/556406764.db2.gz YELMKJBYUUCMRM-QHCPKHFHSA-N -1 0 479.558 4.501 50 0 JJAARM CC(C)(C)c1ccc(Cc2nnc(SCC(=O)NCc3ccc(Cl)cc3)[n-]c2=O)cc1 ZINC000032724063 556476197 /nfs/dbraw/zinc/47/61/97/556476197.db2.gz FRSDMLZHRMOOLQ-UHFFFAOYSA-N -1 0 456.999 4.527 50 0 JJAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2oc(-c3cc(F)ccc3Br)nc2c1 ZINC000032915882 556539598 /nfs/dbraw/zinc/53/95/98/556539598.db2.gz FGTCLLVEMYTXBT-UHFFFAOYSA-N -1 0 466.288 4.802 50 0 JJAARM COc1cccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)[n-]2)c1 ZINC000032948419 556563725 /nfs/dbraw/zinc/56/37/25/556563725.db2.gz JBGBCHSUQKNCNV-UHFFFAOYSA-N -1 0 470.601 4.553 50 0 JJAARM Cc1ccc(-n2c3nc(SCC(=O)Nc4cccc(C)c4)[n-]c(=O)c3sc2=S)cc1 ZINC000032948619 556564244 /nfs/dbraw/zinc/56/42/44/556564244.db2.gz RFIXCGJZGLWYPK-UHFFFAOYSA-N -1 0 454.602 4.852 50 0 JJAARM Cc1ccc(CNC(=O)CSc2nc3c(sc(=S)n3-c3ccc(C)cc3)c(=O)[n-]2)cc1 ZINC000032948609 556564273 /nfs/dbraw/zinc/56/42/73/556564273.db2.gz KLJZTIJUFNEQGG-UHFFFAOYSA-N -1 0 468.629 4.530 50 0 JJAARM Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4cc(C)ccc4C)CC3)c(C(=O)[O-])c2)c(C)c1 ZINC000032961638 556578361 /nfs/dbraw/zinc/57/83/61/556578361.db2.gz WDINAYYVKLBJBS-UHFFFAOYSA-N -1 0 493.629 4.746 50 0 JJAARM CCc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4cc(C)ccc4C)CC3)c(C(=O)[O-])c2)cc1 ZINC000032961640 556578370 /nfs/dbraw/zinc/57/83/70/556578370.db2.gz XLEALGNSYATEJD-UHFFFAOYSA-N -1 0 493.629 4.691 50 0 JJAARM COc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3)C(=O)N2c2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000008595561 562943924 /nfs/dbraw/zinc/94/39/24/562943924.db2.gz YMJLVWURSFGNGP-XMMPIXPASA-N -1 0 455.470 4.542 50 0 JJAARM O=C([O-])[C@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000008700609 569593633 /nfs/dbraw/zinc/59/36/33/569593633.db2.gz VUIBKTYRRWBXET-FGZHOGPDSA-N -1 0 471.431 4.731 50 0 JJAARM O=C([O-])[C@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC000008700615 569593693 /nfs/dbraw/zinc/59/36/93/569593693.db2.gz MWYLISRBKNDQSE-FGZHOGPDSA-N -1 0 471.431 4.731 50 0 JJAARM O=C(c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c(Cl)cc1Cl)N1CCC1 ZINC000008706642 569594494 /nfs/dbraw/zinc/59/44/94/569594494.db2.gz MIKRZVVEGHGDTK-UHFFFAOYSA-N -1 0 453.269 4.659 50 0 JJAARM COc1ccc(NC(=O)Cc2c(C)noc2C)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000008710341 569595630 /nfs/dbraw/zinc/59/56/30/569595630.db2.gz BQQUQWBZLCHTOV-UHFFFAOYSA-N -1 0 484.361 4.589 50 0 JJAARM Cc1cccc(N2CCN(c3ccc(C(=O)[O-])cc3NS(=O)(=O)c3cc(C)cc(C)c3)C[C@@H]2C)c1 ZINC000032971182 569603632 /nfs/dbraw/zinc/60/36/32/569603632.db2.gz BMZAIUMUFLBKMW-NRFANRHFSA-N -1 0 493.629 4.826 50 0 JJAARM COc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)cc(OC)c1OC ZINC000061721078 569609187 /nfs/dbraw/zinc/60/91/87/569609187.db2.gz XPDKPJLHBDZKLK-CQSZACIVSA-N -1 0 457.479 4.752 50 0 JJAARM COc1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@H]2c2ccc(SC)cc2)cc1 ZINC000064557810 569618280 /nfs/dbraw/zinc/61/82/80/569618280.db2.gz SUPBSFFMJGOXCI-OAQYLSRUSA-N -1 0 467.568 4.749 50 0 JJAARM O=C([O-])c1cc(N2CCN(Cc3ccccc3F)CC2)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000064589427 569620921 /nfs/dbraw/zinc/62/09/21/569620921.db2.gz GHFHFDQACGFASJ-UHFFFAOYSA-N -1 0 467.928 4.752 50 0 JJAARM CCOc1ccccc1N1CCN(c2ccc(NC(=O)c3ccccc3C)c(C(=O)[O-])c2)CC1 ZINC000064589588 569621053 /nfs/dbraw/zinc/62/10/53/569621053.db2.gz DBRUXPHIPGONCZ-UHFFFAOYSA-N -1 0 459.546 4.671 50 0 JJAARM O=C([O-])c1cc(N2CCN(c3ccc(F)cc3)CC2)ccc1NC(=O)c1cccc(Cl)c1 ZINC000064590278 569621272 /nfs/dbraw/zinc/62/12/72/569621272.db2.gz NGIMFPJEEDAJRJ-UHFFFAOYSA-N -1 0 453.901 4.756 50 0 JJAARM COc1ccccc1N1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)c(C(=O)[O-])c2)CC1 ZINC000064590271 569621278 /nfs/dbraw/zinc/62/12/78/569621278.db2.gz HUCPYXSMRCUPQY-UHFFFAOYSA-N -1 0 465.937 4.626 50 0 JJAARM CC(C)C(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)[n-]c1=O ZINC000064687509 569623753 /nfs/dbraw/zinc/62/37/53/569623753.db2.gz GWSOCCOHCAUUGZ-UHFFFAOYSA-N -1 0 491.495 4.588 50 0 JJAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(SCC(=O)Nc2cccc3ccccc32)[n-]c1=O ZINC000064687498 569623776 /nfs/dbraw/zinc/62/37/76/569623776.db2.gz KIYDOXWKNCENKD-UHFFFAOYSA-N -1 0 473.558 4.703 50 0 JJAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(SCC(=O)Nc2ccc(C)c(Cl)c2)[n-]c1=O ZINC000064774469 569626376 /nfs/dbraw/zinc/62/63/76/569626376.db2.gz DNSSGTUSZSCAIZ-UHFFFAOYSA-N -1 0 471.970 4.512 50 0 JJAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(S[C@H](C)C(=O)Nc2c(C)cccc2Cl)[n-]c1=O ZINC000064774518 569626524 /nfs/dbraw/zinc/62/65/24/569626524.db2.gz XAOIIUQVVGFYRT-CQSZACIVSA-N -1 0 485.997 4.901 50 0 JJAARM CC(=O)Nc1c(C)cc(C)cc1-c1nnc(S[C@@H](C)C(=O)Nc2c(C)cccc2Cl)[n-]c1=O ZINC000064774519 569626604 /nfs/dbraw/zinc/62/66/04/569626604.db2.gz XAOIIUQVVGFYRT-AWEZNQCLSA-N -1 0 485.997 4.901 50 0 JJAARM Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3NC(=O)C(C)C)c(=O)[n-]2)cc1C ZINC000064774632 569626835 /nfs/dbraw/zinc/62/68/35/569626835.db2.gz GZLSJTMDNFLGHR-INIZCTEOSA-N -1 0 465.579 4.575 50 0 JJAARM CC(C)C(=O)Nc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)[n-]c1=O ZINC000064774603 569626903 /nfs/dbraw/zinc/62/69/03/569626903.db2.gz YTAUAFPUBVFHQW-ZDUSSCGKSA-N -1 0 471.970 4.611 50 0 JJAARM O=C(CSc1nnc(-c2ccccc2NC(=O)c2ccccc2)c(=O)[n-]1)Nc1cccc(Cl)c1 ZINC000064774741 569627051 /nfs/dbraw/zinc/62/70/51/569627051.db2.gz SBCYHLJEZYKOQH-UHFFFAOYSA-N -1 0 491.960 4.881 50 0 JJAARM CCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2cc(C)c(C)cc2C)cc1C(=O)[O-] ZINC000064843196 569637764 /nfs/dbraw/zinc/63/77/64/569637764.db2.gz HCVISSFWFYNLLR-UHFFFAOYSA-N -1 0 453.564 4.532 50 0 JJAARM Cc1c(S(=O)(=O)[N-]c2ccc(C)cn2)cc(-c2nc(-c3cccc(Cl)c3)cs2)n1C ZINC000065008905 569647890 /nfs/dbraw/zinc/64/78/90/569647890.db2.gz JCRMYQOLEVEVPJ-UHFFFAOYSA-N -1 0 458.996 5.282 50 0 JJAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)c(C)n2C)sc1C(=O)N1CCCCC1 ZINC000065035904 569652881 /nfs/dbraw/zinc/65/28/81/569652881.db2.gz NOLDWEQYGVYXFS-UHFFFAOYSA-N -1 0 493.054 4.846 50 0 JJAARM CCN(CC)C(=O)c1sc(-c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)c(C)n2C)nc1C ZINC000065036525 569653415 /nfs/dbraw/zinc/65/34/15/569653415.db2.gz MKENZSAASYVODW-UHFFFAOYSA-N -1 0 481.043 4.702 50 0 JJAARM Cc1ccc(N2CCCN(Cc3ccccc3F)C2=O)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000034737693 569654507 /nfs/dbraw/zinc/65/45/07/569654507.db2.gz SJFLVLWWUDBMBU-UHFFFAOYSA-N -1 0 453.539 4.767 50 0 JJAARM CCCCNC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000065074603 569657120 /nfs/dbraw/zinc/65/71/20/569657120.db2.gz IRALKQXJLPSDHT-UHFFFAOYSA-N -1 0 465.984 4.920 50 0 JJAARM CN(Cc1ccccc1)C(=O)CCc1nnc(-c2ccc(OCc3cccc(F)c3)cc2)[n-]c1=O ZINC000034763146 569658115 /nfs/dbraw/zinc/65/81/15/569658115.db2.gz RFCZWOLVSCUVCG-UHFFFAOYSA-N -1 0 472.520 4.554 50 0 JJAARM COc1cccc([N-]S(=O)(=O)c2cc(-c3nc(C)c(C(=O)N4CCCCC4)s3)cs2)c1 ZINC000065117064 569666966 /nfs/dbraw/zinc/66/69/66/569666966.db2.gz SPHRFZJQVBINHV-UHFFFAOYSA-N -1 0 477.633 4.616 50 0 JJAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)cn2C)sc1C(=O)N1CCCCC1 ZINC000065137474 569668379 /nfs/dbraw/zinc/66/83/79/569668379.db2.gz FZOMFCLVVWVKLT-UHFFFAOYSA-N -1 0 493.054 4.846 50 0 JJAARM CC1(C)Oc2ccc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)[O-])cc2O1 ZINC000066345622 569677160 /nfs/dbraw/zinc/67/71/60/569677160.db2.gz SHZLOTJPHMTVDI-QFIPXVFZSA-N -1 0 459.498 4.728 50 0 JJAARM CN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1C(=O)[O-] ZINC000035397367 569688127 /nfs/dbraw/zinc/68/81/27/569688127.db2.gz DURLPIZCHKOUOU-UHFFFAOYSA-N -1 0 466.346 4.524 50 0 JJAARM COc1ccc2cc([C@@H]3CC(c4ccc(F)cc4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc2c1 ZINC000069382947 569692852 /nfs/dbraw/zinc/69/28/52/569692852.db2.gz QAXVJLACSKDSAM-FQEVSTJZSA-N -1 0 455.873 4.578 50 0 JJAARM O=C(COc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ccccc1 ZINC000069418399 569692985 /nfs/dbraw/zinc/69/29/85/569692985.db2.gz ODZSKJQMZFUAJQ-UHFFFAOYSA-N -1 0 451.331 4.812 50 0 JJAARM COc1ccc(CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)C(=O)[O-])c(OC)c1 ZINC000071788204 569698324 /nfs/dbraw/zinc/69/83/24/569698324.db2.gz BTEPUGBDZZZLCU-KRWDZBQOSA-N -1 0 461.514 4.928 50 0 JJAARM Cc1ccc2c(c1)[nH]c(=O)c(C1=NN(C(=O)CCC(=O)[O-])[C@H](c3ccco3)C1)c2-c1ccccc1 ZINC000079047037 569706739 /nfs/dbraw/zinc/70/67/39/569706739.db2.gz WKHQXNZNNLEKKA-NRFANRHFSA-N -1 0 469.497 4.639 50 0 JJAARM COc1ccccc1N1CCN(Cc2nc(=O)c3c(-c4ccc(Cl)cc4)csc3[nH]2)CC1 ZINC000096035918 569732149 /nfs/dbraw/zinc/73/21/49/569732149.db2.gz ORJCRSAWGIOQBI-UHFFFAOYSA-N -1 0 466.994 4.636 50 0 JJAARM COC(=O)C[C@@H](c1ccc(OC)cc1OC)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096113797 569732849 /nfs/dbraw/zinc/73/28/49/569732849.db2.gz ACOZWWFXOHEARO-FQEVSTJZSA-N -1 0 476.481 4.583 50 0 biogenic JJAARM O=c1cc(-c2ccccc2)oc2c1c([O-])cc1c2[C@H](c2coc3ccccc3c2=O)CC(=O)O1 ZINC000096114295 569733544 /nfs/dbraw/zinc/73/35/44/569733544.db2.gz IEOGBPONBHGDBB-INIZCTEOSA-N -1 0 452.418 4.713 50 0 biogenic JJAARM COC(=O)C[C@@H](c1ccc(OC)c(OC)c1)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096115629 569734660 /nfs/dbraw/zinc/73/46/60/569734660.db2.gz MWZSCIJYLGVTLF-IBGZPJMESA-N -1 0 476.481 4.583 50 0 biogenic JJAARM COC(=O)C[C@@H](c1cccc(OC)c1OC)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096116009 569735087 /nfs/dbraw/zinc/73/50/87/569735087.db2.gz RHDYZGYXXNPEEH-KRWDZBQOSA-N -1 0 476.481 4.583 50 0 biogenic JJAARM COC(=O)C[C@H](c1cc2cccc(C)c2[nH]c1=O)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21 ZINC000096116112 569735162 /nfs/dbraw/zinc/73/51/62/569735162.db2.gz LUQLLSCJYWMIQN-GOSISDBHSA-N -1 0 497.503 4.716 50 0 biogenic JJAARM COC(=O)C[C@@H](c1cc2ccc(C)cc2[nH]c1=O)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21 ZINC000096221473 569738767 /nfs/dbraw/zinc/73/87/67/569738767.db2.gz WQLNYSJOPXOKPK-FQEVSTJZSA-N -1 0 497.503 4.716 50 0 biogenic JJAARM O=C([O-])c1ccc(CSc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)cc1 ZINC000100642537 569766056 /nfs/dbraw/zinc/76/60/56/569766056.db2.gz IFFRIVDWZIHOEU-IAGOWNOFSA-N -1 0 452.557 4.966 50 0 JJAARM O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100662870 569766242 /nfs/dbraw/zinc/76/62/42/569766242.db2.gz RGUAVMZDAYNMHH-UHFFFAOYSA-N -1 0 482.359 4.792 50 0 JJAARM CC(C)(C)Cn1c(=O)c(C(=O)Nc2ccc(I)cc2)c([O-])c2ccccc21 ZINC000100704979 569767193 /nfs/dbraw/zinc/76/71/93/569767193.db2.gz SHMLGGSABYBSMM-UHFFFAOYSA-N -1 0 476.314 4.610 50 0 JJAARM CCc1cccc(C(C)C)c1NC(=O)C(=O)C(=C([O-])c1ccccc1O)[C@H]1OC(=O)c2ccccc21 ZINC000100721777 569767767 /nfs/dbraw/zinc/76/77/67/569767767.db2.gz VWZPYIZREPALSR-HOFKKMOUSA-N -1 0 485.536 4.996 50 0 JJAARM CCc1cccc(C(C)C)c1NC(=O)C(=O)C(=C([O-])c1ccccc1O)[C@H]1OC(=O)c2ccccc21 ZINC000100721775 569767784 /nfs/dbraw/zinc/76/77/84/569767784.db2.gz VWZPYIZREPALSR-KCWPFWIISA-N -1 0 485.536 4.996 50 0 JJAARM CCc1cccc2s/c(=N/C(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(C)cc3)n(C)c21 ZINC000100911691 569775386 /nfs/dbraw/zinc/77/53/86/569775386.db2.gz GGJXTCWSRZHDPE-OCOZRVBESA-N -1 0 465.600 4.653 50 0 JJAARM COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3nc([N-]S(=O)(=O)c4ccccc4)nn32)cc1 ZINC000101000071 569778819 /nfs/dbraw/zinc/77/88/19/569778819.db2.gz HXZJFOPOIZOKKF-JOCHJYFZSA-N -1 0 493.976 4.797 50 0 JJAARM Cc1cccc(N2C(=O)[C@@H]3[C@H](c4cccc(Br)c4)N(c4ccccc4)O[C@@H]3C2=O)c1 ZINC000101013458 569779225 /nfs/dbraw/zinc/77/92/25/569779225.db2.gz IDGHCYMBHQVNLW-FSSWDIPSSA-N -1 0 463.331 4.809 50 0 JJAARM O=S(=O)([N-]c1nc2n(n1)[C@@H](c1ccc(F)cc1)CC(c1ccccc1)=N2)c1ccc(Cl)cc1 ZINC000101021923 569779708 /nfs/dbraw/zinc/77/97/08/569779708.db2.gz GBAJGAHAYGROOW-OAQYLSRUSA-N -1 0 481.940 4.927 50 0 JJAARM CN(C)c1ccc([C@H]2CC(c3c([O-])n(C)c(=S)n(C)c3=O)=Nc3ccccc3S2)cc1 ZINC000101495231 569800414 /nfs/dbraw/zinc/80/04/14/569800414.db2.gz XNBOJZDULNYVBL-LJQANCHMSA-N -1 0 452.605 4.583 50 0 JJAARM O=c1[nH]c([O-])c(C2=Nc3ccccc3S[C@H](c3cccc(O)c3)C2)c(=O)n1-c1ccc(Cl)cc1 ZINC000101495289 569800442 /nfs/dbraw/zinc/80/04/42/569800442.db2.gz BUNAWEXXVCEFHA-NRFANRHFSA-N -1 0 491.956 4.948 50 0 JJAARM COc1ccccc1-n1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(C)s3)C2)c1=O ZINC000101495339 569800473 /nfs/dbraw/zinc/80/04/73/569800473.db2.gz ZYJZVTOJRFNKNH-NRFANRHFSA-N -1 0 491.594 4.968 50 0 JJAARM Cc1nc(-n2[n-]c(C)c(Cc3ccc(C)cc3)c2=O)sc1C(=O)N1CCc2ccccc2C1 ZINC000101505397 569801206 /nfs/dbraw/zinc/80/12/06/569801206.db2.gz OIMODUMJRJURBN-UHFFFAOYSA-N -1 0 458.587 4.749 50 0 JJAARM CCS(=O)(=O)[N-]c1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(c1ccc(Br)cc1)=N2 ZINC000101520253 569801298 /nfs/dbraw/zinc/80/12/98/569801298.db2.gz GSRKQINRTWBTSQ-KRWDZBQOSA-N -1 0 494.802 4.512 50 0 JJAARM Cc1ccccc1-n1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc4c(c3)OCO4)C2)c1=O ZINC000101766778 569804683 /nfs/dbraw/zinc/80/46/83/569804683.db2.gz DNCXBTSBGAYMFU-QHCPKHFHSA-N -1 0 499.548 4.626 50 0 JJAARM COc1ccccc1-n1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)c1=O ZINC000101766738 569804742 /nfs/dbraw/zinc/80/47/42/569804742.db2.gz SVYAHOKSKNFIOQ-QFIPXVFZSA-N -1 0 471.538 4.598 50 0 JJAARM COc1ccccc1-n1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)c1=O ZINC000101766743 569804837 /nfs/dbraw/zinc/80/48/37/569804837.db2.gz SVYAHOKSKNFIOQ-JOCHJYFZSA-N -1 0 471.538 4.598 50 0 JJAARM COc1ccc(NC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(Cl)cc5)nc-4c3c2)cc1OC ZINC000101827764 569805355 /nfs/dbraw/zinc/80/53/55/569805355.db2.gz DFWLHEGTKZTINU-UHFFFAOYSA-N -1 0 474.904 4.742 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000038612594 569805501 /nfs/dbraw/zinc/80/55/01/569805501.db2.gz UDGUGNWJCLXTFS-JXMROGBWSA-N -1 0 499.640 4.574 50 0 JJAARM Cc1oc(-c2ccc(Cl)cc2)nc1Cn1[nH][n-]c2c(=O)n(-c3ccc(C(C)C)cc3)c(=O)c1=2 ZINC000102479127 569813516 /nfs/dbraw/zinc/81/35/16/569813516.db2.gz OAOXZHQWUFOCFL-RTWAWAEBSA-N -1 0 463.925 4.920 50 0 JJAARM COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]3ON2c2ccc(OC)cc2)cc1 ZINC000102697742 569816009 /nfs/dbraw/zinc/81/60/09/569816009.db2.gz XTRQVPHRWLJOLA-ZONZVBGPSA-N -1 0 480.520 4.908 50 0 JJAARM CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)cc21 ZINC000040450379 569828303 /nfs/dbraw/zinc/82/83/03/569828303.db2.gz NCNFGTHYIOMERU-UHFFFAOYSA-N -1 0 451.386 4.672 50 0 JJAARM CC(=O)N1c2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c(Br)cc2C[C@@H]1C ZINC000040450569 569828731 /nfs/dbraw/zinc/82/87/31/569828731.db2.gz UNLUABKICGEHMD-JTQLQIEISA-N -1 0 477.302 4.566 50 0 JJAARM CC(=O)N1c2cc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)c(Br)cc2C[C@@H]1C ZINC000040450694 569828923 /nfs/dbraw/zinc/82/89/23/569828923.db2.gz RBHSLDQFUGQJSH-JTQLQIEISA-N -1 0 477.302 4.566 50 0 JJAARM CC(C)(C)OC(=O)N1CC[C@H](C(=O)[O-])C[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000052508231 569852394 /nfs/dbraw/zinc/85/23/94/569852394.db2.gz IOLBCFZNMMGGCA-AOMKIAJQSA-N -1 0 466.534 4.583 50 0 JJAARM O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3F)[C@@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000136632895 569864731 /nfs/dbraw/zinc/86/47/31/569864731.db2.gz TZHBVQBOBJMIHW-PWRODBHTSA-N -1 0 456.395 4.896 50 0 JJAARM COc1cc(OC)cc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cc4cccc(C)c4nc3Cl)C2)c1 ZINC000170615217 569872939 /nfs/dbraw/zinc/87/29/39/569872939.db2.gz HLWMAMJTFPXFKF-OAQYLSRUSA-N -1 0 481.936 4.756 50 0 JJAARM COc1ccc(-c2noc([C@@H]([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)C(C)C)n2)cc1 ZINC000227156392 570040208 /nfs/dbraw/zinc/04/02/08/570040208.db2.gz BCLSEHIOIITPAX-KRWDZBQOSA-N -1 0 456.351 4.728 50 0 JJAARM COc1cccc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)c1OCC(=O)[O-] ZINC000252601973 570085135 /nfs/dbraw/zinc/08/51/35/570085135.db2.gz FEYKURGITMOQKX-ICKJYIADSA-N -1 0 460.511 4.967 50 0 JJAARM COc1cc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(Cl)cc5)coc4c32)ccc1O ZINC000253397693 570096045 /nfs/dbraw/zinc/09/60/45/570096045.db2.gz BOWHZSBVAAWGTA-HNNXBMFYSA-N -1 0 464.857 4.974 50 0 JJAARM COc1ccc([C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)c2c([O-])cc(C)oc2=O)cc1O ZINC000253471345 570099289 /nfs/dbraw/zinc/09/92/89/570099289.db2.gz PWEKDJJCHQRYGM-CQSZACIVSA-N -1 0 464.301 4.836 50 0 JJAARM COc1ccc2occ([C@H]3CC(=O)Oc4ccc(C(=O)c5ccc(Cl)cc5)c([O-])c43)c(=O)c2c1 ZINC000263585059 570170858 /nfs/dbraw/zinc/17/08/58/570170858.db2.gz DQNJMSXFGSMEPP-QGZVFWFLSA-N -1 0 476.868 4.833 50 0 JJAARM Cc1ccccc1S(=O)(=O)[N-]c1ccc(Br)cc1-c1nc2ccccc2[nH]c1=O ZINC000328598901 570179198 /nfs/dbraw/zinc/17/91/98/570179198.db2.gz OUMDQWRYLPCTNV-UHFFFAOYSA-N -1 0 470.348 4.874 50 0 JJAARM Cc1ccc(OCC(=O)Nc2cc(NC(=O)COc3ccc(C)cc3C)cc(C(=O)[O-])c2)c(C)c1 ZINC000001010600 194002842 /nfs/dbraw/zinc/00/28/42/194002842.db2.gz XMBFDKWIDQRRDV-UHFFFAOYSA-N -1 0 476.529 4.653 50 0 JJAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CSCc2ccc(C)cc2)cc1 ZINC000001093326 194022416 /nfs/dbraw/zinc/02/24/16/194022416.db2.gz GBSNBJWTZLGYQX-UHFFFAOYSA-N -1 0 470.616 4.985 50 0 JJAARM O=C([O-])c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)cc1 ZINC000001108675 194026331 /nfs/dbraw/zinc/02/63/31/194026331.db2.gz VMZQOQFCTRQFBW-UHFFFAOYSA-N -1 0 451.438 4.596 50 0 JJAARM Cc1c2cc(C)c(C)cc2oc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)n2)cc1 ZINC000001115154 194029434 /nfs/dbraw/zinc/02/94/34/194029434.db2.gz NNXPXNYRISBKPY-UHFFFAOYSA-N -1 0 464.547 4.818 50 0 JJAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CSCc2ccccc2)cc1 ZINC000001148251 194049112 /nfs/dbraw/zinc/04/91/12/194049112.db2.gz GTNPSGSAXKGAEX-UHFFFAOYSA-N -1 0 456.589 4.676 50 0 JJAARM COc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000001508513 194126604 /nfs/dbraw/zinc/12/66/04/194126604.db2.gz NJRZVNZHZIRTDG-UHFFFAOYSA-N -1 0 461.337 4.511 50 0 JJAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)c1C ZINC000001773683 194137595 /nfs/dbraw/zinc/13/75/95/194137595.db2.gz PRQRUQCIQUNXDT-UHFFFAOYSA-N -1 0 463.943 4.543 50 0 JJAARM CC[C@@H](NC(=O)Cc1c(C)c2cc3c(-c4ccc(Cl)cc4)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002117356 194157180 /nfs/dbraw/zinc/15/71/80/194157180.db2.gz ALNYIBJJLCTJGH-HXUWFJFHSA-N -1 0 467.905 4.998 50 0 biogenic JJAARM O=C(NCCc1ccccc1)c1ccc(Cn2c(=O)c3cc(Br)ccc3[n-]c2=S)cc1 ZINC000002973677 194190224 /nfs/dbraw/zinc/19/02/24/194190224.db2.gz MBMXXKWEQJSODW-UHFFFAOYSA-N -1 0 494.414 4.842 50 0 JJAARM CCOc1cc2[n-]c(=S)n(Cc3ccc(C(=O)NCCC(C)C)cc3)c(=O)c2cc1OCC ZINC000003010236 194203624 /nfs/dbraw/zinc/20/36/24/194203624.db2.gz RHONUEUMLWNYPH-UHFFFAOYSA-N -1 0 469.607 4.681 50 0 JJAARM Cc1ccc(-n2c3nc(SCC(=O)[O-])n(-c4ccc(F)cc4)c(=O)c3sc2=S)cc1C ZINC000003026444 194211468 /nfs/dbraw/zinc/21/14/68/194211468.db2.gz GYEUWPACRADVFE-UHFFFAOYSA-N -1 0 473.576 4.900 50 0 JJAARM Cc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000003020578 194208474 /nfs/dbraw/zinc/20/84/74/194208474.db2.gz UMIZGACLAWLSMJ-UHFFFAOYSA-N -1 0 489.347 4.509 50 0 in-vitro JJAARM CCOc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(C(C)=O)c2)cc1 ZINC000003261086 194255183 /nfs/dbraw/zinc/25/51/83/194255183.db2.gz IZIAPENVCRZBJD-UHFFFAOYSA-N -1 0 462.531 4.776 50 0 JJAARM Cc1ccc(C)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000003283285 194262913 /nfs/dbraw/zinc/26/29/13/194262913.db2.gz VJIMLJHUWBFLGZ-UHFFFAOYSA-N -1 0 462.531 4.562 50 0 JJAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(-c2nc3ccccc3s2)s1 ZINC000003307053 194275202 /nfs/dbraw/zinc/27/52/02/194275202.db2.gz ILLXMQALXVBCKR-UHFFFAOYSA-N -1 0 493.595 4.868 50 0 JJAARM COc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000003316290 194278849 /nfs/dbraw/zinc/27/88/49/194278849.db2.gz OAILFWMNRXWFMO-UHFFFAOYSA-N -1 0 482.455 4.835 50 0 JJAARM O=C(c1cc(C(=O)N2CCCC2)c2nc3sc(-c4ccccc4)cc3c(=O)n2c1)c1ccccc1[O-] ZINC000003418679 194317990 /nfs/dbraw/zinc/31/79/90/194317990.db2.gz HZZOFZFMABDPEM-UHFFFAOYSA-N -1 0 495.560 4.749 50 0 JJAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(-c2nnc3n2CCCCC3)c1 ZINC000003420063 194318461 /nfs/dbraw/zinc/31/84/61/194318461.db2.gz ZHIFDECVYWVVFZ-UHFFFAOYSA-N -1 0 491.411 4.634 50 0 JJAARM Cc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000004056740 194372790 /nfs/dbraw/zinc/37/27/90/194372790.db2.gz DGZNBFFPJMQNEL-IBGZPJMESA-N -1 0 457.962 4.509 50 0 JJAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N[C@H](C)c2ccccc2)cc1 ZINC000004647552 194393416 /nfs/dbraw/zinc/39/34/16/194393416.db2.gz KFRXDEFKVZKEQN-MRXNPFEDSA-N -1 0 461.547 4.562 50 0 JJAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCN(c3ccc(F)cc3)CC2)c1C ZINC000006182957 194418865 /nfs/dbraw/zinc/41/88/65/194418865.db2.gz QVVZUPFCJWEOGW-UHFFFAOYSA-N -1 0 495.620 4.823 50 0 JJAARM COc1cc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)ccc1OCc1ccc(F)cc1 ZINC000009892668 195016601 /nfs/dbraw/zinc/01/66/01/195016601.db2.gz KPPUIDMYHQLREL-UHFFFAOYSA-N -1 0 466.509 4.560 50 0 JJAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Sc3ccc(Cl)cc3)cc2)nc(C)n1 ZINC000009911080 195021788 /nfs/dbraw/zinc/02/17/88/195021788.db2.gz MTEQDVMYUAMOIX-CQSZACIVSA-N -1 0 477.011 4.667 50 0 JJAARM COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000012605550 195051024 /nfs/dbraw/zinc/05/10/24/195051024.db2.gz RWSGQKROMIMWKW-UHFFFAOYSA-N -1 0 487.386 4.604 50 0 JJAARM O=C(NCc1nc(-c2ccccc2)no1)c1cc2ccccc2cc1[N-]S(=O)(=O)c1cccs1 ZINC000012727413 195097988 /nfs/dbraw/zinc/09/79/88/195097988.db2.gz RROKJBOSGWSSGB-UHFFFAOYSA-N -1 0 490.566 4.682 50 0 JJAARM CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccc(C)cc1)C(=O)[O-] ZINC000012880874 195168386 /nfs/dbraw/zinc/16/83/86/195168386.db2.gz FCBZIIWSTNEEPY-BZQUYTCOSA-N -1 0 461.514 4.981 50 0 biogenic JJAARM CCOc1cc2[n-]c(=S)n(CCCCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c(=O)c2cc1OCC ZINC000020644751 195194928 /nfs/dbraw/zinc/19/49/28/195194928.db2.gz CBIIPJALLZZUNP-ZIFCJYIRSA-N -1 0 475.655 4.968 50 0 JJAARM COc1ccc2cc(C(=O)Nc3ccc(OC)c(OC)c3)/c(=N/c3ccc(C(=O)[O-])cc3)oc2c1 ZINC000020616705 195188483 /nfs/dbraw/zinc/18/84/83/195188483.db2.gz NXLFIODCHXPEDW-FVDSYPCUSA-N -1 0 474.469 4.642 50 0 JJAARM COC[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1)c1ccccc1 ZINC000062621104 195427733 /nfs/dbraw/zinc/42/77/33/195427733.db2.gz KZWGEWRKWLATDQ-FQEVSTJZSA-N -1 0 479.385 4.912 50 0 JJAARM CCOC(=O)[C@H]1CCCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2Cl)C1 ZINC000102894172 130376683 /nfs/dbraw/zinc/37/66/83/130376683.db2.gz QBXWPHPCMVDGLK-KBXCAEBGSA-N -1 0 486.981 4.774 50 0 JJAARM COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H](C(=O)[O-])[C@H]2C(=O)c2cccc3c2CCCC3)cc1 ZINC000103116979 130602538 /nfs/dbraw/zinc/60/25/38/130602538.db2.gz CXOXMHMDZVNXID-NNMXDRDESA-N -1 0 481.595 4.514 50 0 JJAARM CC(=O)Nc1ccc(C)cc1-c1nnc(S[C@@H](C)C(=O)Nc2cccc(Cl)c2C)[n-]c1=O ZINC000021882667 519713606 /nfs/dbraw/zinc/71/36/06/519713606.db2.gz QSMQCZWPGHGQDR-ZDUSSCGKSA-N -1 0 471.970 4.592 50 0 JJAARM CC(=O)Nc1ccc(C)cc1-c1nnc(S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)[n-]c1=O ZINC000021882659 519713718 /nfs/dbraw/zinc/71/37/18/519713718.db2.gz IARFCHWTBMJILI-LBPRGKRZSA-N -1 0 491.495 4.649 50 0 JJAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000016097381 519731702 /nfs/dbraw/zinc/73/17/02/519731702.db2.gz UGCVXKKYBALPJN-HNNXBMFYSA-N -1 0 479.537 4.701 50 0 JJAARM CC(=O)Nc1ccc(Sc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000008706616 519732781 /nfs/dbraw/zinc/73/27/81/519732781.db2.gz HBKBVDMTPVEPQQ-UHFFFAOYSA-N -1 0 450.545 4.540 50 0 JJAARM CC(C)c1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4ccccc4)CC3)c(C(=O)[O-])c2)cc1 ZINC000033253094 519838814 /nfs/dbraw/zinc/83/88/14/519838814.db2.gz HLUPLYQGEOZFDF-UHFFFAOYSA-N -1 0 479.602 4.636 50 0 JJAARM CCCC(=O)Nc1ccc2nc(N3CCN(c4cc(Cl)ccc4C)CC3)cc(C(=O)[O-])c2c1 ZINC000033260609 519878618 /nfs/dbraw/zinc/87/86/18/519878618.db2.gz VPNXDPSVUNBTGV-UHFFFAOYSA-N -1 0 466.969 4.960 50 0 JJAARM CCCNC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000065074599 519905924 /nfs/dbraw/zinc/90/59/24/519905924.db2.gz RHBWSLHIDPCOCU-UHFFFAOYSA-N -1 0 451.957 4.529 50 0 JJAARM CCCCC(=O)Nc1ccc2nc(N3CCN(c4ccccc4F)CC3)cc(C(=O)[O-])c2c1 ZINC000033260686 519914679 /nfs/dbraw/zinc/91/46/79/519914679.db2.gz IVDYMKIBODPBJP-UHFFFAOYSA-N -1 0 450.514 4.527 50 0 JJAARM CC1CCN(C(=O)CCc2nnc(-c3ccc(OCc4ccccc4Cl)cc3)[n-]c2=O)CC1 ZINC000034763409 520977694 /nfs/dbraw/zinc/97/76/94/520977694.db2.gz QKLFCQIQYIMXGV-UHFFFAOYSA-N -1 0 466.969 4.668 50 0 JJAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(/C=C\c3onc(C)c3NC(C)=O)cc2)c1 ZINC000033171046 521170346 /nfs/dbraw/zinc/17/03/46/521170346.db2.gz FCEFHTXEZXZWQB-LCYFTJDESA-N -1 0 485.562 4.710 50 0 JJAARM CCC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)[n-]c1=O ZINC000021882756 521202205 /nfs/dbraw/zinc/20/22/05/521202205.db2.gz CECYCTQHNYNXKE-UHFFFAOYSA-N -1 0 491.495 4.651 50 0 JJAARM CCCCc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(Br)cc3)n[nH]2)cc1 ZINC000032985030 521284359 /nfs/dbraw/zinc/28/43/59/521284359.db2.gz JGROGECIRKZIBI-UHFFFAOYSA-N -1 0 477.384 4.568 50 0 JJAARM CCC(C)(C)c1ccc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)c(Br)c1 ZINC000042783126 521371632 /nfs/dbraw/zinc/37/16/32/521371632.db2.gz JTIRYTSRVCOHJW-HOCLYGCPSA-N -1 0 456.377 4.978 50 0 JJAARM CCOc1ccccc1N1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)C4CCCC4)ccc3n2)CC1 ZINC000033260900 521517496 /nfs/dbraw/zinc/51/74/96/521517496.db2.gz HQWIFZCHICDIPQ-UHFFFAOYSA-N -1 0 488.588 4.787 50 0 JJAARM COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)[O-] ZINC000016196164 521970667 /nfs/dbraw/zinc/97/06/67/521970667.db2.gz ITYWSEXXBLDWHK-IUXPMGMMSA-N -1 0 468.314 4.702 50 0 JJAARM CCc1nc2sc([C@H](c3cccc(Cl)c3)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000022854817 522537694 /nfs/dbraw/zinc/53/76/94/522537694.db2.gz XFPCNZYCMJNYPX-FQEVSTJZSA-N -1 0 471.989 4.763 50 0 JJAARM COc1cc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccc(F)cc4)no3)sc2C)cc(OC)c1 ZINC000046141371 522753880 /nfs/dbraw/zinc/75/38/80/522753880.db2.gz BWAHKDQNKKQRDQ-UHFFFAOYSA-N -1 0 475.523 4.731 50 0 JJAARM COc1cc([N-]S(=O)(=O)c2cc(-c3nc(-c4cccc(F)c4)no3)sc2C)cc(OC)c1 ZINC000046141494 522754605 /nfs/dbraw/zinc/75/46/05/522754605.db2.gz HDNQHVQKTIDOJO-UHFFFAOYSA-N -1 0 475.523 4.731 50 0 JJAARM COc1cc([N-]S(=O)(=O)c2ccccc2-c2nc(-c3ccc(C)cc3)no2)cc(OC)c1 ZINC000033175602 522757428 /nfs/dbraw/zinc/75/74/28/522757428.db2.gz ZQRRGXQAHXJTJU-UHFFFAOYSA-N -1 0 451.504 4.530 50 0 JJAARM COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc(F)cc3)ccc2C)cc1Cl ZINC000009587068 522814072 /nfs/dbraw/zinc/81/40/72/522814072.db2.gz WYSAZUPXSKEVPO-UHFFFAOYSA-N -1 0 492.956 4.536 50 0 JJAARM COc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(Br)cc3)n2)c(OC)c1 ZINC000020492135 523102860 /nfs/dbraw/zinc/10/28/60/523102860.db2.gz QHDVKBQZUWNFBN-UHFFFAOYSA-N -1 0 454.280 4.770 50 0 JJAARM COc1ccc(-c2cnn3c2nc(C)cc3C)cc1S(=O)(=O)[N-]c1cc(C)c(Cl)cc1OC ZINC000033298113 523154635 /nfs/dbraw/zinc/15/46/35/523154635.db2.gz HTQPSVXYDLLOCY-UHFFFAOYSA-N -1 0 486.981 4.793 50 0 JJAARM CCn1c2ccccc2c2cc([C@@H]3NC(=O)N[C@@](O)(C(F)(F)F)C3=C([O-])c3cccs3)ccc21 ZINC000012524525 523277869 /nfs/dbraw/zinc/27/78/69/523277869.db2.gz ADTTWUFQVCWSED-JTAQYXEDSA-N -1 0 487.503 4.980 50 0 JJAARM COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000033170650 523437875 /nfs/dbraw/zinc/43/78/75/523437875.db2.gz YBXRPRVODZMZSV-LUAWRHEFSA-N -1 0 475.954 4.883 50 0 JJAARM COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000033170622 523438279 /nfs/dbraw/zinc/43/82/79/523438279.db2.gz BMJADYPMICWNPB-WZUFQYTHSA-N -1 0 461.927 4.575 50 0 JJAARM COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000033170668 523439115 /nfs/dbraw/zinc/43/91/15/523439115.db2.gz VZXYOMKCGAKOAA-CLFYSBASSA-N -1 0 455.536 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O=C([O-])c1cc(N2CCN(c3ccccc3F)CC2)nc2ccc(NC(=O)c3ccccc3)cc21 ZINC000033260811 526348879 /nfs/dbraw/zinc/34/88/79/526348879.db2.gz UHTMJLORNRBYHP-UHFFFAOYSA-N -1 0 470.504 4.651 50 0 JJAARM Cc1noc(/C=C/c2ccc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)s2)c1NC(=O)C1CC1 ZINC000033306635 526458897 /nfs/dbraw/zinc/45/88/97/526458897.db2.gz ZLWASTDROJUGSQ-SOFGYWHQSA-N -1 0 457.577 4.981 50 0 JJAARM Cc1noc(/C=C/c2ccc(S(=O)(=O)[N-]c3ccc(C)c(F)c3)s2)c1NC(=O)C1CC1 ZINC000033306652 526460072 /nfs/dbraw/zinc/46/00/72/526460072.db2.gz XJCVNMVRCOHVOM-VQHVLOKHSA-N -1 0 461.540 4.812 50 0 JJAARM Cc1nc(-c2csc(S(=O)(=O)[N-]c3cccc(C)c3)c2)sc1C(=O)N1CCCCC1 ZINC000065117161 526623552 /nfs/dbraw/zinc/62/35/52/526623552.db2.gz KIMIPUPHENFCCZ-UHFFFAOYSA-N -1 0 461.634 4.915 50 0 JJAARM N=C(S[C@@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 ZINC000033335815 526836178 /nfs/dbraw/zinc/83/61/78/526836178.db2.gz IPYVDRZOMIZEKU-XZOQPEGZSA-N -1 0 498.564 4.536 50 0 JJAARM Cc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000022627142 527205486 /nfs/dbraw/zinc/20/54/86/527205486.db2.gz KJIYDHCUKWCZDW-LJQANCHMSA-N -1 0 475.952 4.648 50 0 JJAARM Cc1nc2sc([C@@H](c3ccc(C)cc3)N3CCN(c4cccc(Cl)c4)CC3)c([O-])n2n1 ZINC000023156894 527205630 /nfs/dbraw/zinc/20/56/30/527205630.db2.gz QQDJHUXBOTXJMA-HXUWFJFHSA-N -1 0 453.999 4.678 50 0 JJAARM O=C([N-]c1nnc(SCc2ccc(F)cc2)s1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000011916052 527536171 /nfs/dbraw/zinc/53/61/71/527536171.db2.gz FAZBYTAXZAEITC-UHFFFAOYSA-N -1 0 470.507 4.648 50 0 JJAARM Cc1nn(-c2nc3ccc(Br)cc3s2)c2c1[C@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 ZINC000021660670 527570544 /nfs/dbraw/zinc/57/05/44/527570544.db2.gz XTWNYZIDTVAWLH-AWEZNQCLSA-N -1 0 483.347 4.725 50 0 JJAARM COc1ccccc1NC(=O)CSc1nc([O-])c(Cc2ccccc2)c(=O)n1-c1ccc(C)cc1 ZINC000102858238 537083955 /nfs/dbraw/zinc/08/39/55/537083955.db2.gz BLHARYCLBVZPAN-UHFFFAOYSA-N -1 0 487.581 4.577 50 0 JJAARM 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ZINC000000822097 553786672 /nfs/dbraw/zinc/78/66/72/553786672.db2.gz ULTNWGABTGMDHB-OAHLLOKOSA-N -1 0 496.184 4.994 50 0 JJAARM Cc1c(CCNC(=O)[N-]S(=O)(=O)c2ccccc2Cl)c2ccccc2n1Cc1ccccc1 ZINC000000867641 553807191 /nfs/dbraw/zinc/80/71/91/553807191.db2.gz BZXDVEUWIKUHFX-UHFFFAOYSA-N -1 0 482.005 4.882 50 0 JJAARM COc1ccccc1NC(=O)CSc1nc([O-])c(Cc2ccccc2)c(=O)n1-c1ccccc1C ZINC000000987089 553893826 /nfs/dbraw/zinc/89/38/26/553893826.db2.gz LFEVQUDMWCPDOH-UHFFFAOYSA-N -1 0 487.581 4.577 50 0 JJAARM O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000001057913 553902087 /nfs/dbraw/zinc/90/20/87/553902087.db2.gz WSAWWPOMZQABPT-UHFFFAOYSA-N -1 0 483.977 4.629 50 0 JJAARM Cc1nc2ccccn2c1-c1csc(Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)n1 ZINC000001895755 554001121 /nfs/dbraw/zinc/00/11/21/554001121.db2.gz PIBJGOKCMOBKAI-UHFFFAOYSA-N -1 0 491.602 4.717 50 0 JJAARM Cc1oc2cc3oc(=O)c(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(C)c3cc2c1-c1ccccc1 ZINC000002121229 554056284 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4.845 50 0 JJAARM CCOC(=O)c1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(C)c2)c1 ZINC000002449132 554216028 /nfs/dbraw/zinc/21/60/28/554216028.db2.gz XIYTVRRQCKTJES-UHFFFAOYSA-N -1 0 462.531 4.659 50 0 JJAARM O=S(=O)([N-]c1ncnc2sc(-c3ccccc3)cc21)c1ccc(Br)s1 ZINC000002622149 554246652 /nfs/dbraw/zinc/24/66/52/554246652.db2.gz XYGQVRKDGFILOU-UHFFFAOYSA-N -1 0 452.380 4.983 50 0 JJAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccc(Cl)c1Cl ZINC000002656472 554271793 /nfs/dbraw/zinc/27/17/93/554271793.db2.gz SCXUMGWRMSTUMM-UHFFFAOYSA-N -1 0 455.285 4.650 50 0 JJAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Oc3ccccc3)cc2)n1 ZINC000002709526 554296959 /nfs/dbraw/zinc/29/69/59/554296959.db2.gz HHPMJCJXFOEWTQ-UHFFFAOYSA-N -1 0 460.515 4.630 50 0 JJAARM COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000002881261 554403121 /nfs/dbraw/zinc/40/31/21/554403121.db2.gz QIPDVOUXFKFRKU-UHFFFAOYSA-N -1 0 479.341 4.833 50 0 JJAARM O=C(NCCc1ccc(Cl)cc1)C1CCC(Cn2c(=O)c3sccc3[n-]c2=S)CC1 ZINC000002925598 554411400 /nfs/dbraw/zinc/41/14/00/554411400.db2.gz ZURIKSVLWOIBOK-UHFFFAOYSA-N -1 0 462.040 4.939 50 0 JJAARM O=C(CCCCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)N1CC=C(c2ccccc2)CC1 ZINC000002974389 554414948 /nfs/dbraw/zinc/41/49/48/554414948.db2.gz LCZXNCGJCNVZEC-UHFFFAOYSA-N -1 0 477.586 4.664 50 0 JJAARM COc1ccc(CCNC(=O)c2ccc3c(c2)[n-]c(=S)n(CCC2=CCCCC2)c3=O)cc1OC ZINC000003052014 554424753 /nfs/dbraw/zinc/42/47/53/554424753.db2.gz VBCSGCLYRWUBSH-UHFFFAOYSA-N -1 0 493.629 4.939 50 0 JJAARM COc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(CCc2ccccc2)c3=O)cc1Cl ZINC000003631252 554468097 /nfs/dbraw/zinc/46/80/97/554468097.db2.gz ICVQOPUOAPAHAX-UHFFFAOYSA-N -1 0 465.962 4.842 50 0 JJAARM O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000006025837 554500573 /nfs/dbraw/zinc/50/05/73/554500573.db2.gz PBLRNWDQFKUMEU-KRXBUXKQSA-N -1 0 454.360 4.903 50 0 JJAARM CCCCCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C(=O)[O-])c4ccccc4C3c3ccccc32)cc1 ZINC000006472272 554543649 /nfs/dbraw/zinc/54/36/49/554543649.db2.gz LHMICCDGFSGTEI-BMYUDADPSA-N -1 0 481.548 4.891 50 0 JJAARM CCCCCSc1nnc2c(n1)O[C@@H](c1ccc(C(=O)[O-])cc1)N(C(C)=O)c1ccccc1-2 ZINC000008452966 554598568 /nfs/dbraw/zinc/59/85/68/554598568.db2.gz JYVWRWNTNZPIKW-QFIPXVFZSA-N -1 0 464.547 4.963 50 0 JJAARM O=C([O-])c1ccccc1NC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000009095032 554892848 /nfs/dbraw/zinc/89/28/48/554892848.db2.gz YPAJYCVUCIUYLQ-UHFFFAOYSA-N -1 0 459.285 4.961 50 0 JJAARM CCOc1ccc2cc([C@@H]3CC(c4ccccc4)=NN3C(=O)CCC(=O)[O-])c(Cl)nc2c1 ZINC000009096705 554895151 /nfs/dbraw/zinc/89/51/51/554895151.db2.gz FLWBPLUEMOVHPO-NRFANRHFSA-N -1 0 451.910 4.829 50 0 JJAARM Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3ccco3)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000009128755 554925841 /nfs/dbraw/zinc/92/58/41/554925841.db2.gz YDSFNRQHSPYZMW-HSZRJFAPSA-N -1 0 468.513 4.983 50 0 JJAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCC(C)(C)C(=O)N2CC(C)C ZINC000009168262 554952379 /nfs/dbraw/zinc/95/23/79/554952379.db2.gz 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50 0 JJAARM O=C([O-])c1cc(NC(=O)COc2ccccc2Cl)cc(NC(=O)COc2ccccc2Cl)c1 ZINC000009425730 555190593 /nfs/dbraw/zinc/19/05/93/555190593.db2.gz LWTDYZHTTLHPRP-UHFFFAOYSA-N -1 0 489.311 4.727 50 0 JJAARM CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)C(=O)[C@H]12 ZINC000009426265 555191193 /nfs/dbraw/zinc/19/11/93/555191193.db2.gz FMEKXYLDXSRLJO-CFDLBASYSA-N -1 0 457.913 4.783 50 0 JJAARM Cc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000009467553 555244947 /nfs/dbraw/zinc/24/49/47/555244947.db2.gz BGNPLZHYBOXRMC-UHFFFAOYSA-N -1 0 471.387 4.903 50 0 JJAARM O=C(Cc1csc(-c2ccc(Cl)cc2)n1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000009467817 555245740 /nfs/dbraw/zinc/24/57/40/555245740.db2.gz RFUDJYOWCOTMQB-UHFFFAOYSA-N -1 0 491.019 4.902 50 0 JJAARM CC(C)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c2cnn(C(C)C)c2n1 ZINC000009467878 555245948 /nfs/dbraw/zinc/24/59/48/555245948.db2.gz ZNLKFYMWXISDSQ-UHFFFAOYSA-N -1 0 484.607 4.645 50 0 JJAARM COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H](C(=O)[O-])[C@@H]2C(=O)c2cccc3c2CCCC3)cc1 ZINC000009489424 555264334 /nfs/dbraw/zinc/26/43/34/555264334.db2.gz CXOXMHMDZVNXID-IPJJNNNSSA-N -1 0 481.595 4.514 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000009636215 555343730 /nfs/dbraw/zinc/34/37/30/555343730.db2.gz HRHXRYLAQGSTCJ-UHFFFAOYSA-N -1 0 454.592 4.503 50 0 JJAARM Cc1occc1-c1nnc(SCC(=O)Nc2c(C)cccc2C(=O)[O-])n1Cc1ccccc1 ZINC000013242614 555370245 /nfs/dbraw/zinc/37/02/45/555370245.db2.gz BTBZQJADKWBHSK-UHFFFAOYSA-N -1 0 462.531 4.632 50 0 JJAARM Cc1cc(NC(=O)Nc2ccc3c(c2)OCO3)cc2sc([N-]S(=O)(=O)c3ccccc3)nc21 ZINC000013349467 555379686 /nfs/dbraw/zinc/37/96/86/555379686.db2.gz KFCBPYNQJUWBOM-UHFFFAOYSA-N -1 0 482.543 4.778 50 0 JJAARM COc1cccc(NC(=O)Nc2cc3sc([N-]S(=O)(=O)c4ccccc4)nc3c(OC)c2)c1 ZINC000013349574 555380009 /nfs/dbraw/zinc/38/00/09/555380009.db2.gz CHWGOYRINKQPIF-UHFFFAOYSA-N -1 0 484.559 4.758 50 0 JJAARM COc1cccc(NC(=O)Nc2ccc3sc([N-]S(=O)(=O)c4ccccc4)nc3c2)c1 ZINC000013361342 555386942 /nfs/dbraw/zinc/38/69/42/555386942.db2.gz QYKZXTRPCZVAOE-UHFFFAOYSA-N -1 0 454.533 4.750 50 0 JJAARM COC(=O)c1cccc(NC(=O)Nc2ccc3sc([N-]S(=O)(=O)c4ccccc4)nc3c2)c1 ZINC000013361420 555387356 /nfs/dbraw/zinc/38/73/56/555387356.db2.gz UWJJAVPDSWVVRZ-UHFFFAOYSA-N -1 0 482.543 4.528 50 0 JJAARM O=C(CCSc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000009671339 555390542 /nfs/dbraw/zinc/39/05/42/555390542.db2.gz KUPPGXAPBQEILA-UHFFFAOYSA-N -1 0 453.998 4.718 50 0 JJAARM CC(=O)[N-]S(=O)(=O)c1ccc(/N=c2\ssc3c2-c2cc(C)ccc2NC3(C)C)cc1 ZINC000013381819 555393238 /nfs/dbraw/zinc/39/32/38/555393238.db2.gz KQYPBWTXROFEFP-XDOYNYLZSA-N -1 0 459.618 4.503 50 0 JJAARM CC(C)(C)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000009721233 555453098 /nfs/dbraw/zinc/45/30/98/555453098.db2.gz OZLGATCDHPAQAN-UHFFFAOYSA-N -1 0 467.616 4.673 50 0 JJAARM O=C(Nc1nc2ccccc2s1)c1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1 ZINC000013549223 555490796 /nfs/dbraw/zinc/49/07/96/555490796.db2.gz MZLOPUJSWNFUTQ-UHFFFAOYSA-N -1 0 466.569 4.959 50 0 JJAARM O=C1N[C@H](c2cccc(Oc3ccccc3)c2)C(=C([O-])c2cccs2)[C@@](O)(C(F)(F)F)N1 ZINC000013563176 555498049 /nfs/dbraw/zinc/49/80/49/555498049.db2.gz DQISCTGGGKDBKN-DBXWQHBBSA-N -1 0 462.449 4.644 50 0 JJAARM COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C/c1ccccc1)NC(=O)c1cccc2ccccc21 ZINC000013575747 555514645 /nfs/dbraw/zinc/51/46/45/555514645.db2.gz YJFWJBPSVBVUIG-JLPGSUDCSA-N -1 0 466.493 4.956 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000009858057 555559449 /nfs/dbraw/zinc/55/94/49/555559449.db2.gz OFCYCGTZVYWWHJ-UHFFFAOYSA-N -1 0 494.020 4.719 50 0 JJAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000009858055 555559467 /nfs/dbraw/zinc/55/94/67/555559467.db2.gz ZCRHAGXZOMKKLL-UHFFFAOYSA-N -1 0 487.629 4.682 50 0 JJAARM Cc1ccccc1-n1c([O-])c([C@@H]2OCc3cnc(C)c(O)c32)c(=O)n(-c2ccccc2C)c1=S ZINC000013712380 555589787 /nfs/dbraw/zinc/58/97/87/555589787.db2.gz ACLCUOBKCUOZME-HSZRJFAPSA-N -1 0 473.554 4.709 50 0 JJAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccc(F)cc2)n1)Nc1c(Cl)cccc1Cl ZINC000013735959 555606083 /nfs/dbraw/zinc/60/60/83/555606083.db2.gz OKRFZMGBIPAXBJ-UHFFFAOYSA-N -1 0 460.339 4.571 50 0 JJAARM O=C(c1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCN(c2ccccc2)CC1 ZINC000010076218 555615266 /nfs/dbraw/zinc/61/52/66/555615266.db2.gz BXULJQZZWFYCEJ-UHFFFAOYSA-N -1 0 490.412 4.757 50 0 JJAARM CCN(CC)C(=O)CSC1=NC(=O)C(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C([O-])=N1 ZINC000013957211 555661405 /nfs/dbraw/zinc/66/14/05/555661405.db2.gz NAGDOIZNFPXLIO-UHFFFAOYSA-N -1 0 492.428 4.923 50 0 JJAARM CCOc1ccc(-c2nc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C)c(Cl)c5)c(=O)c3=4)c(C)o2)cc1 ZINC000010273915 555669460 /nfs/dbraw/zinc/66/94/60/555669460.db2.gz XHAJYZWHSZKWIK-RTWAWAEBSA-N -1 0 479.924 4.504 50 0 JJAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCCC(=O)NC4CCCCCC4)c3=O)c2c1 ZINC000020329103 555775284 /nfs/dbraw/zinc/77/52/84/555775284.db2.gz 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4.981 50 0 JJAARM Cc1oc2cc3oc(=O)c(CC(=O)N[C@H](CC(C)C)C(=O)[O-])c(C)c3cc2c1-c1ccccc1 ZINC000011865597 555840529 /nfs/dbraw/zinc/84/05/29/555840529.db2.gz RBNZAJLTRMBCKF-OAQYLSRUSA-N -1 0 461.514 4.981 50 0 JJAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1csc2nc(-c3ccc(F)cc3)cn12 ZINC000011902193 555851773 /nfs/dbraw/zinc/85/17/73/555851773.db2.gz KHCKLGVTALOCAZ-UHFFFAOYSA-N -1 0 499.574 4.712 50 0 JJAARM Cc1ccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)c(C)c1 ZINC000021931737 555857588 /nfs/dbraw/zinc/85/75/88/555857588.db2.gz RKUWLALSMARWPV-UHFFFAOYSA-N -1 0 460.353 4.514 50 0 JJAARM COc1ccc(NC(=O)CSc2nc(-c3ccccc3)[n-]c2S(=O)(=O)c2ccccc2)cc1 ZINC000012112480 555908716 /nfs/dbraw/zinc/90/87/16/555908716.db2.gz JYVHQZIAVZKFNL-UHFFFAOYSA-N -1 0 479.583 4.649 50 0 JJAARM Cc1ccc(CNC(=O)CSc2nc(-c3ccccc3)[n-]c2S(=O)(=O)c2ccccc2)cc1 ZINC000012112475 555908754 /nfs/dbraw/zinc/90/87/54/555908754.db2.gz LEZHWYZMXXVCQB-UHFFFAOYSA-N -1 0 477.611 4.626 50 0 JJAARM Cc1ccc(-c2nc(SCC(=O)N3CCCC[C@@H]3C)c(S(=O)(=O)c3ccccc3)[n-]2)cc1 ZINC000012112516 555909307 /nfs/dbraw/zinc/90/93/07/555909307.db2.gz CUNYEUPZJMHLQR-SFHVURJKSA-N -1 0 469.632 4.711 50 0 JJAARM Cc1ccc(-c2nc(SCC(=O)N3CCCC[C@H]3C)c(S(=O)(=O)c3ccccc3)[n-]2)cc1 ZINC000012112515 555909392 /nfs/dbraw/zinc/90/93/92/555909392.db2.gz CUNYEUPZJMHLQR-GOSISDBHSA-N -1 0 469.632 4.711 50 0 JJAARM [O-]c1c([C@@H](c2ccc(F)cc2)N2CCN(c3ccccc3F)CC2)sc2nc(-c3ccco3)nn12 ZINC000022852257 555959262 /nfs/dbraw/zinc/95/92/62/555959262.db2.gz BZWHMLGHKKBWSQ-OAQYLSRUSA-N -1 0 493.539 4.946 50 0 JJAARM CCOC(=O)C1CCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccc(Cl)cc2Cl)CC1 ZINC000022853547 555960304 /nfs/dbraw/zinc/96/03/04/555960304.db2.gz ADCHBRNLENDAIB-QGZVFWFLSA-N -1 0 483.421 4.730 50 0 JJAARM CCc1nc2sc([C@@H](c3ccccc3Cl)N3CCN(c4ccccc4F)CC3)c([O-])n2n1 ZINC000022854815 555961585 /nfs/dbraw/zinc/96/15/85/555961585.db2.gz IDTAVXLFZSGIBS-HXUWFJFHSA-N -1 0 471.989 4.763 50 0 JJAARM CCc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCN(c4ccc(F)cc4)CC3)c([O-])n2n1 ZINC000022854889 555961790 /nfs/dbraw/zinc/96/17/90/555961790.db2.gz YHQKNDTYMFCGLZ-FQEVSTJZSA-N -1 0 471.989 4.763 50 0 JJAARM O=C([O-])c1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccc(Br)cc2)cc1 ZINC000015746752 555984962 /nfs/dbraw/zinc/98/49/62/555984962.db2.gz HOHGHVCFKCFGKC-XSFVSMFZSA-N -1 0 465.303 4.557 50 0 JJAARM CN(C1CCCCC1)S(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000012540217 556013920 /nfs/dbraw/zinc/01/39/20/556013920.db2.gz DBPVZRDXEWCGJS-UHFFFAOYSA-N -1 0 458.605 4.594 50 0 JJAARM COc1ccc(C(=O)Nc2cc3sc([N-]S(=O)(=O)c4ccc(C)cc4)nc3c(C)c2)cc1OC ZINC000015862021 556034430 /nfs/dbraw/zinc/03/44/30/556034430.db2.gz ICVADRJMMHXEGW-UHFFFAOYSA-N -1 0 497.598 4.983 50 0 JJAARM COc1cccc(CC(=O)Nc2cc3sc([N-]S(=O)(=O)c4ccc(C)cc4)nc3c(C)c2)c1 ZINC000015862026 556034528 /nfs/dbraw/zinc/03/45/28/556034528.db2.gz BKBFRIOXXLYGMG-UHFFFAOYSA-N -1 0 481.599 4.904 50 0 JJAARM COc1ccccc1C(=O)Nc1cc2sc([N-]S(=O)(=O)c3ccc(C)cc3)nc2c(C)c1 ZINC000015862043 556034743 /nfs/dbraw/zinc/03/47/43/556034743.db2.gz QFOBJPPZJMBZNH-UHFFFAOYSA-N -1 0 467.572 4.975 50 0 JJAARM O=C(NCc1ccccc1)C1(c2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2)CC1 ZINC000015869476 556048763 /nfs/dbraw/zinc/04/87/63/556048763.db2.gz RFQIWCKVENWSPZ-UHFFFAOYSA-N -1 0 491.432 4.659 50 0 JJAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)CCSc3nc4ccccc4s3)cc2)c1C ZINC000012560692 556053007 /nfs/dbraw/zinc/05/30/07/556053007.db2.gz KVXKJRLVYYWQEN-UHFFFAOYSA-N -1 0 488.616 4.823 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)ccc1C ZINC000012564511 556060460 /nfs/dbraw/zinc/06/04/60/556060460.db2.gz YJQDOAZQFVFBDT-UHFFFAOYSA-N -1 0 454.592 4.503 50 0 JJAARM C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CSC(=S)SCC(=O)[O-] ZINC000012873367 556121492 /nfs/dbraw/zinc/12/14/92/556121492.db2.gz IKRAHARPUOQISU-OMBYLKBJSA-N -1 0 496.716 4.654 50 0 biogenic JJAARM Cc1c(O[C@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000016042909 556122137 /nfs/dbraw/zinc/12/21/37/556122137.db2.gz WSHNOFKKEWNFQJ-CJFMBICVSA-N -1 0 499.563 4.580 50 0 JJAARM COc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000024968814 556165597 /nfs/dbraw/zinc/16/55/97/556165597.db2.gz XXNHGZDQFFCQSC-UHFFFAOYSA-N -1 0 458.555 4.790 50 0 JJAARM C[C@H](CCc1ccccc1)NC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[n-]1 ZINC000016846274 556168185 /nfs/dbraw/zinc/16/81/85/556168185.db2.gz FLPAEUDFSCVEBH-OAHLLOKOSA-N -1 0 482.656 4.734 50 0 JJAARM O=C1[N-]C(=O)[C@@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@@H]32)C(=O)N1c1cccc(Cl)c1 ZINC000016995882 556198973 /nfs/dbraw/zinc/19/89/73/556198973.db2.gz MEMLXVXUIUMILA-KCWPFWIISA-N -1 0 486.959 4.701 50 0 JJAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C(=O)c1cccs1 ZINC000017010244 556199868 /nfs/dbraw/zinc/19/98/68/556199868.db2.gz RLLZBPRYFMDPGG-UHFFFAOYSA-N -1 0 456.589 4.767 50 0 JJAARM O=C1[N-]C(=O)[C@@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@@H]32)C(=O)N1c1ccc(Cl)cc1 ZINC000017015361 556204304 /nfs/dbraw/zinc/20/43/04/556204304.db2.gz TUSIZAYFGRZUIH-KCWPFWIISA-N -1 0 486.959 4.701 50 0 JJAARM CCOc1ccc([C@H]2CC(=C3C(=O)[N-]C(=O)N(Cc4ccccc4)C3=O)NN2c2ccccc2)cc1 ZINC000017042693 556209123 /nfs/dbraw/zinc/20/91/23/556209123.db2.gz HZXYCVLOKQDWCS-QQYUXEJHSA-N -1 0 482.540 4.914 50 0 JJAARM Cc1ccc(NC(=O)CSc2nc3c(sc(=S)n3-c3ccccc3)c(=O)[n-]2)cc1C ZINC000017052766 556213656 /nfs/dbraw/zinc/21/36/56/556213656.db2.gz KUALLEHWCPGHBQ-UHFFFAOYSA-N -1 0 454.602 4.852 50 0 JJAARM CC(C)OCCCn1c(=O)c2ccccc2nc1SCc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000013041313 556246144 /nfs/dbraw/zinc/24/61/44/556246144.db2.gz KHYLDOQMRLYGIV-UHFFFAOYSA-N -1 0 486.977 4.969 50 0 JJAARM O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc2c(c1)OCO2)c1cccc(Cl)c1 ZINC000017246896 556247139 /nfs/dbraw/zinc/24/71/39/556247139.db2.gz GWLHXYJMFWKQPU-UHFFFAOYSA-N -1 0 454.895 4.556 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)c2sc(-c3ccccc3)nc2C)c1 ZINC000028841804 556342505 /nfs/dbraw/zinc/34/25/05/556342505.db2.gz BSEIZCKMUDHPIP-UHFFFAOYSA-N -1 0 495.582 4.886 50 0 JJAARM O=C(Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)NC(c1ccccc1)c1ccccc1 ZINC000032451261 556435717 /nfs/dbraw/zinc/43/57/17/556435717.db2.gz RJMGRWPZLXWSAS-UHFFFAOYSA-N -1 0 462.596 4.997 50 0 JJAARM CC(C)(C)c1ccc(Cc2nnc(SCC(=O)Nc3ccc(Br)cc3)[n-]c2=O)cc1 ZINC000032724060 556476173 /nfs/dbraw/zinc/47/61/73/556476173.db2.gz YKLKKOKJYCMMBB-UHFFFAOYSA-N -1 0 487.423 4.959 50 0 JJAARM C[C@H](CCc1ccccc1)NC(=O)CSc1nnc(Cc2ccc(Cl)c(Cl)c2)c(=O)[n-]1 ZINC000032810092 556500303 /nfs/dbraw/zinc/50/03/03/556500303.db2.gz MNFNTGXPPIVSKB-CQSZACIVSA-N -1 0 477.417 4.704 50 0 JJAARM C[C@@H](CCc1ccccc1)NC(=O)CSc1nnc(Cc2ccc(Cl)c(Cl)c2)c(=O)[n-]1 ZINC000032810091 556500324 /nfs/dbraw/zinc/50/03/24/556500324.db2.gz MNFNTGXPPIVSKB-AWEZNQCLSA-N -1 0 477.417 4.704 50 0 JJAARM CSc1ccccc1NC(=O)CSc1nnc(Cc2ccc(Cl)c(Cl)c2)c(=O)[n-]1 ZINC000032810090 556500418 /nfs/dbraw/zinc/50/04/18/556500418.db2.gz MMFDXULBZUQQDQ-UHFFFAOYSA-N -1 0 467.403 4.928 50 0 JJAARM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc4c(cc(C)cc4C)[nH]3)ccc2OC)cc1 ZINC000032854911 556512195 /nfs/dbraw/zinc/51/21/95/556512195.db2.gz IDCOKYRGDNWJOA-UHFFFAOYSA-N -1 0 479.558 4.855 50 0 JJAARM COc1ccc(C(NC(=O)CSCc2cccc(C(=O)[O-])c2)c2ccc(OC)cc2)cc1 ZINC000032885588 556522364 /nfs/dbraw/zinc/52/23/64/556522364.db2.gz BDHMAPGPTGLIFK-UHFFFAOYSA-N -1 0 451.544 4.541 50 0 JJAARM O=C([O-])c1ccc(N2CCN(c3ccccc3F)CC2)c(NC(=O)c2ccc(Cl)cc2)c1 ZINC000032946675 556561603 /nfs/dbraw/zinc/56/16/03/556561603.db2.gz NTEIJJHBWVHSQJ-UHFFFAOYSA-N -1 0 453.901 4.756 50 0 JJAARM COC(=O)c1ccc(OC)c(CSc2nc3c(sc(=S)n3-c3ccccc3C)c(=O)[n-]2)c1 ZINC000032948405 556563665 /nfs/dbraw/zinc/56/36/65/556563665.db2.gz VLLPBBJRUKJLMM-UHFFFAOYSA-N -1 0 485.612 4.901 50 0 JJAARM Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4cccc(C)c4C)CC3)c(C(=O)[O-])c2)cc1C ZINC000032961634 556578519 /nfs/dbraw/zinc/57/85/19/556578519.db2.gz GYVMMBLZUZDBTK-UHFFFAOYSA-N -1 0 493.629 4.746 50 0 JJAARM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2cccs2)ccc1N1CCCCC1 ZINC000008685522 562952408 /nfs/dbraw/zinc/95/24/08/562952408.db2.gz KOPMQIAUVSHJAW-UHFFFAOYSA-N -1 0 471.604 4.800 50 0 JJAARM CCc1c([O-])nc(SCC(=O)NC(c2ccccc2)c2ccccc2)n(-c2ccccc2C)c1=O ZINC000008705016 569593903 /nfs/dbraw/zinc/59/39/03/569593903.db2.gz SKGDZEZUKJXIHT-UHFFFAOYSA-N -1 0 485.609 4.807 50 0 JJAARM Cc1cccc(N2CCN(c3ccc(C(=O)[O-])cc3NS(=O)(=O)c3cccc(C)c3)C[C@H]2C)c1 ZINC000032971179 569603661 /nfs/dbraw/zinc/60/36/61/569603661.db2.gz NBMSWFAKCRGFNT-HXUWFJFHSA-N -1 0 479.602 4.518 50 0 JJAARM Cc1ccc(-c2noc(-c3cn(Cc4ccc([N-]S(=O)(=O)c5ccccc5F)cc4)cn3)n2)cc1 ZINC000032974765 569605799 /nfs/dbraw/zinc/60/57/99/569605799.db2.gz LZOCKGYCAZNWJT-UHFFFAOYSA-N -1 0 489.532 4.897 50 0 JJAARM O=C(Nc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc1)N1CCCCCC1 ZINC000060274968 569608609 /nfs/dbraw/zinc/60/86/09/569608609.db2.gz FVOYNANOUMTVAY-UHFFFAOYSA-N -1 0 457.474 4.794 50 0 JJAARM Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)NC[C@H](c2ccccc2Cl)N(C)C)cc1 ZINC000062606781 569612923 /nfs/dbraw/zinc/61/29/23/569612923.db2.gz SVHZWJFUEFTRFF-LJQANCHMSA-N -1 0 478.039 4.543 50 0 JJAARM Cc1cccc(N2CCN(c3ccc(NS(=O)(=O)c4c(C)cc(C)cc4C)c(C(=O)[O-])c3)CC2)c1 ZINC000033007120 569615218 /nfs/dbraw/zinc/61/52/18/569615218.db2.gz GMPAXCWSGZRYTC-UHFFFAOYSA-N -1 0 493.629 4.746 50 0 JJAARM Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCN(c4ccccc4F)CC3)cc2C(=O)[O-])c(C)c1 ZINC000033007116 569615222 /nfs/dbraw/zinc/61/52/22/569615222.db2.gz DIGZJHSBNBKOMM-UHFFFAOYSA-N -1 0 497.592 4.577 50 0 JJAARM CC(C)(C)C(=O)Nc1ccc2nc(N3CCN(c4ccccc4Cl)CC3)cc(C(=O)[O-])c2c1 ZINC000033010387 569616709 /nfs/dbraw/zinc/61/67/09/569616709.db2.gz ZXKVAZVHPFCFOL-UHFFFAOYSA-N -1 0 466.969 4.898 50 0 JJAARM CCOc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(F)cc2)cc1 ZINC000064557794 569618267 /nfs/dbraw/zinc/61/82/67/569618267.db2.gz YKMYFRSQVUDBNL-NRFANRHFSA-N -1 0 453.491 4.556 50 0 JJAARM CCOc1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2ccc(F)cc2)cc1 ZINC000064557801 569618289 /nfs/dbraw/zinc/61/82/89/569618289.db2.gz IEUOWSAMAFPGHP-QFIPXVFZSA-N -1 0 467.518 4.864 50 0 JJAARM COc1ccccc1N1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)c(C(=O)[O-])c2)CC1 ZINC000064589389 569620880 /nfs/dbraw/zinc/62/08/80/569620880.db2.gz REYCTTLYXIMVIW-UHFFFAOYSA-N -1 0 465.937 4.626 50 0 JJAARM Cc1ccc2nc(CSc3ccccc3[N-]S(=O)(=O)c3ccc(Cl)cc3)cc(=O)n2c1 ZINC000033026217 569620897 /nfs/dbraw/zinc/62/08/97/569620897.db2.gz AYBVWZYWZYLPJQ-UHFFFAOYSA-N -1 0 471.991 4.749 50 0 JJAARM O=C([O-])c1cc(N2CCN(c3ccccc3F)CC2)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000064589401 569620927 /nfs/dbraw/zinc/62/09/27/569620927.db2.gz HYFOVONTTKNPBF-UHFFFAOYSA-N -1 0 453.901 4.756 50 0 JJAARM O=c1cc(CSc2ccccc2[N-]S(=O)(=O)c2ccc(F)c(Cl)c2)nc2ccccn12 ZINC000033026350 569621062 /nfs/dbraw/zinc/62/10/62/569621062.db2.gz NGNRGPPOMMFVMD-UHFFFAOYSA-N -1 0 475.954 4.580 50 0 JJAARM Cc1ccc(CC(=O)Nc2ccc(N3CCN(c4ccccc4Cl)CC3)cc2C(=O)[O-])cc1 ZINC000064590436 569621410 /nfs/dbraw/zinc/62/14/10/569621410.db2.gz KOXDFCPIWSEBSR-UHFFFAOYSA-N -1 0 463.965 4.854 50 0 JJAARM Cc1cccc(N2CCN(c3ccc(NS(=O)(=O)c4cccc(C)c4)cc3C(=O)[O-])C[C@H]2C)c1 ZINC000033253546 569621860 /nfs/dbraw/zinc/62/18/60/569621860.db2.gz KFQUVHSGRHFVEI-HXUWFJFHSA-N -1 0 479.602 4.518 50 0 JJAARM CC[C@H](Sc1nnc(-c2cc(C)cc(C)c2NC(C)=O)c(=O)[n-]1)C(=O)Nc1ccccc1Cl ZINC000064774548 569626681 /nfs/dbraw/zinc/62/66/81/569626681.db2.gz GMXLMNCJYWZMGA-SFHVURJKSA-N -1 0 485.997 4.982 50 0 JJAARM CC(C)C(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2C(C)C)[n-]c1=O ZINC000064774587 569626697 /nfs/dbraw/zinc/62/66/97/569626697.db2.gz PBXXJSZZLNWIPE-UHFFFAOYSA-N -1 0 465.579 4.693 50 0 JJAARM CC[C@H](Sc1nnc(-c2cc(C)cc(C)c2NC(C)=O)c(=O)[n-]1)C(=O)Nc1ccc(Cl)cc1 ZINC000064774550 569626713 /nfs/dbraw/zinc/62/67/13/569626713.db2.gz BDUJWLLSKKRHDO-SFHVURJKSA-N -1 0 485.997 4.982 50 0 JJAARM CC(C)C(=O)Nc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2cccc(Cl)c2)[n-]c1=O ZINC000064774602 569626818 /nfs/dbraw/zinc/62/68/18/569626818.db2.gz ATEXCXJSUDGCOV-CYBMUJFWSA-N -1 0 471.970 4.611 50 0 JJAARM CC(C)C(=O)Nc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2Cl)[n-]c1=O ZINC000064774600 569626839 /nfs/dbraw/zinc/62/68/39/569626839.db2.gz DIHYVEDFPMSAID-CYBMUJFWSA-N -1 0 471.970 4.611 50 0 JJAARM CC[C@@H](Sc1nnc(-c2ccccc2NC(C)=O)c(=O)[n-]1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000064774687 569626891 /nfs/dbraw/zinc/62/68/91/569626891.db2.gz MXJRECUZZLOEFP-QGZVFWFLSA-N -1 0 475.933 4.505 50 0 JJAARM CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2NC(=O)c2ccccc2)c(=O)[n-]1 ZINC000064774749 569627029 /nfs/dbraw/zinc/62/70/29/569627029.db2.gz HDENBPJVDGZBQY-UHFFFAOYSA-N -1 0 485.569 4.790 50 0 JJAARM Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2NC(=O)c2ccccc2)c(=O)[n-]1 ZINC000064774728 569627039 /nfs/dbraw/zinc/62/70/39/569627039.db2.gz HGMQXGIZHWIUOD-KRWDZBQOSA-N -1 0 485.569 4.924 50 0 JJAARM CCCCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2ccc(CC)cc2)cc1C(=O)[O-] ZINC000064843398 569638003 /nfs/dbraw/zinc/63/80/03/569638003.db2.gz LDYBKXJQRSXSJM-UHFFFAOYSA-N -1 0 467.591 4.950 50 0 JJAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C(C)C)c1 ZINC000065021115 569648408 /nfs/dbraw/zinc/64/84/08/569648408.db2.gz VPMUETDFVCMDNG-UHFFFAOYSA-N -1 0 460.596 4.565 50 0 JJAARM Cc1ccc(N2CCCN(Cc3ccc(F)cc3F)C2=O)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000034737757 569654555 /nfs/dbraw/zinc/65/45/55/569654555.db2.gz MWFQXYHSKDWCBY-UHFFFAOYSA-N -1 0 471.529 4.906 50 0 JJAARM CN(Cc1ccccc1)C(=O)CCc1nnc(-c2ccc(OCc3ccccc3F)cc2)[n-]c1=O ZINC000034763015 569657966 /nfs/dbraw/zinc/65/79/66/569657966.db2.gz PAGAKXHDNXMMRD-UHFFFAOYSA-N -1 0 472.520 4.554 50 0 JJAARM CCc1nnc2c(Oc3cccc([N-]S(=O)(=O)c4ccccc4F)c3)nc3ccccc3n12 ZINC000065096507 569661013 /nfs/dbraw/zinc/66/10/13/569661013.db2.gz ISZRPJUTLKCEEK-UHFFFAOYSA-N -1 0 463.494 4.572 50 0 JJAARM O=C(c1noc2ccc(S(=O)(=O)[N-]c3nc4ccc(Cl)cc4s3)cc21)N1CCCCC1 ZINC000065115281 569665459 /nfs/dbraw/zinc/66/54/59/569665459.db2.gz QBTUQGKUPXFOCF-UHFFFAOYSA-N -1 0 476.967 4.518 50 0 JJAARM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc(-c3c(C)noc3NC(C)=O)ccc2C)c1 ZINC000065115872 569666202 /nfs/dbraw/zinc/66/62/02/569666202.db2.gz XAENKZYFWAQTNV-UHFFFAOYSA-N -1 0 473.551 4.515 50 0 JJAARM CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2cc(Cl)c(OC)cc2OC)c1 ZINC000065116259 569666311 /nfs/dbraw/zinc/66/63/11/569666311.db2.gz QLBPUBQGYUCGMK-UHFFFAOYSA-N -1 0 493.969 4.642 50 0 JJAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(C)c(C(=O)N3CCCC3)s2)cs1 ZINC000065117003 569666907 /nfs/dbraw/zinc/66/69/07/569666907.db2.gz HBHNAQWZYASZOY-UHFFFAOYSA-N -1 0 477.633 4.616 50 0 JJAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2nc(C)c(C(=O)N3CCCC3)s2)cs1 ZINC000065117017 569666957 /nfs/dbraw/zinc/66/69/57/569666957.db2.gz ATTJSVIIVHMJBD-UHFFFAOYSA-N -1 0 477.633 4.534 50 0 JJAARM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3nc(C)c(C(=O)N4CCCCC4)s3)cs2)c1 ZINC000065117124 569666974 /nfs/dbraw/zinc/66/69/74/569666974.db2.gz KAZXSEKKMOWKND-UHFFFAOYSA-N -1 0 489.644 4.810 50 0 JJAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Oc3ccccc3)cc2)nc(C)n1 ZINC000065568059 569676081 /nfs/dbraw/zinc/67/60/81/569676081.db2.gz WRGAUQKEOLFDCO-UHFFFAOYSA-N -1 0 474.542 4.939 50 0 JJAARM CCOc1cc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(C(F)(F)F)c4)c32)ccc1O ZINC000066087899 569676873 /nfs/dbraw/zinc/67/68/73/569676873.db2.gz IIVZSDMLFHLYIK-OAHLLOKOSA-N -1 0 460.408 4.773 50 0 JJAARM CC[C@@H](Sc1nnc(-c2ccccc2NC(C)=O)c(=O)[n-]1)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000035377885 569685343 /nfs/dbraw/zinc/68/53/43/569685343.db2.gz AMMNUTZFKMWHKF-GOSISDBHSA-N -1 0 471.970 4.674 50 0 JJAARM CCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1C(=O)[O-] ZINC000035397239 569687945 /nfs/dbraw/zinc/68/79/45/569687945.db2.gz JZKODWYABJRHQW-UHFFFAOYSA-N -1 0 480.373 4.914 50 0 JJAARM CCCCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2ccc(OCC)cc2)cc1C(=O)[O-] ZINC000035397575 569688282 /nfs/dbraw/zinc/68/82/82/569688282.db2.gz IBGSZNYFJOQPIX-UHFFFAOYSA-N -1 0 483.590 4.786 50 0 JJAARM CC(=O)Nc1ccc(N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1C(=O)[O-] ZINC000035422765 569692817 /nfs/dbraw/zinc/69/28/17/569692817.db2.gz ZAYJZSZPCPUWPZ-RUZDIDTESA-N -1 0 463.965 4.908 50 0 JJAARM COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCC(c3n[n-]c(=S)o3)CC2)cc1OC ZINC000069442512 569692969 /nfs/dbraw/zinc/69/29/69/569692969.db2.gz ZYIUQZSICODKHC-UHFFFAOYSA-N -1 0 491.573 4.622 50 0 JJAARM N#Cc1ccc(CN2C(=O)NC(=Cc3c(=O)n(-c4ccccc4Cl)[n-]c3-c3ccccc3)C2=O)cc1 ZINC000035829424 569712841 /nfs/dbraw/zinc/71/28/41/569712841.db2.gz KLBLCUHHLIFXAR-HMAPJEAMSA-N -1 0 495.926 4.863 50 0 JJAARM Cc1cccc(CN2C(=O)NC(=Cc3c(Cc4ccccc4)[n-]n(-c4ccccc4)c3=O)C2=O)c1 ZINC000035829465 569712866 /nfs/dbraw/zinc/71/28/66/569712866.db2.gz AQQPLSLQOMXDBE-UQQQWYQISA-N -1 0 464.525 4.570 50 0 JJAARM Cc1ccc(CN2C(=O)NC(=Cc3c(Cc4cccs4)[n-]n(-c4ccccc4)c3=O)C2=O)cc1 ZINC000035829453 569712899 /nfs/dbraw/zinc/71/28/99/569712899.db2.gz QDYGWFNXUFHUKH-HAHDFKILSA-N -1 0 470.554 4.632 50 0 JJAARM CCc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=C1NC(=O)N(Cc2cccc(Cl)c2)C1=O ZINC000035836828 569713495 /nfs/dbraw/zinc/71/34/95/569713495.db2.gz IDMOAAMSOHQQCG-ODLFYWEKSA-N -1 0 457.317 4.540 50 0 JJAARM O=C([O-])CCC(=O)N1N=C(c2cccc(Br)c2)C[C@H]1c1cccc(Br)c1 ZINC000089774396 569719730 /nfs/dbraw/zinc/71/97/30/569719730.db2.gz NXHXHOWICNSFJL-KRWDZBQOSA-N -1 0 480.156 4.754 50 0 JJAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cc4cccc(C)c4nc3Cl)C2)c(OC)c1 ZINC000089689017 569719735 /nfs/dbraw/zinc/71/97/35/569719735.db2.gz NWJYRZJTSDHVSV-HXUWFJFHSA-N -1 0 481.936 4.756 50 0 JJAARM [O-]c1c([C@@H](c2ccccc2)N2CCN(Cc3ccccc3)CC2)sc2nc(-c3ccco3)nn12 ZINC000090485766 569720962 /nfs/dbraw/zinc/72/09/62/569720962.db2.gz YIKZSFCPSUDWTD-JOCHJYFZSA-N -1 0 471.586 4.664 50 0 JJAARM CN1CCN(C(=O)C[C@H](c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)C2CCCCC2)CC1 ZINC000096113730 569732835 /nfs/dbraw/zinc/73/28/35/569732835.db2.gz CNXCSNQHIWITFF-NRFANRHFSA-N -1 0 490.600 4.699 50 0 biogenic JJAARM Cc1ccc2occ([C@@H]3CC(=O)Oc4cc([O-])c5c(=O)c(-c6ccc(O)cc6)coc5c43)c(=O)c2c1 ZINC000096114782 569733839 /nfs/dbraw/zinc/73/38/39/569733839.db2.gz NYMNAARJAWTVJU-INIZCTEOSA-N -1 0 482.444 4.727 50 0 biogenic JJAARM O=C1C[C@H](c2ccc(F)c(F)c2F)c2c(cc([O-])c3c(=O)c(-c4ccc(O)cc4)coc32)O1 ZINC000096115711 569734713 /nfs/dbraw/zinc/73/47/13/569734713.db2.gz ZPIVVUOUQNSWHD-CYBMUJFWSA-N -1 0 454.356 4.730 50 0 biogenic JJAARM CCOC(=O)c1c2c(sc1NC(=O)C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(OC)cc1)CCCC2 ZINC000096594157 569742365 /nfs/dbraw/zinc/74/23/65/569742365.db2.gz YTPHKAQFKSDWHJ-INIZCTEOSA-N -1 0 498.523 4.561 50 0 JJAARM O=C1N[C@H](c2ccc(-c3cccc(Cl)c3)o2)C(=C([O-])c2cccs2)[C@](O)(C(F)(F)F)N1 ZINC000035980689 569742447 /nfs/dbraw/zinc/74/24/47/569742447.db2.gz DYFOYFYHPYACAC-FCEWJHQRSA-N -1 0 470.856 4.765 50 0 JJAARM CCOC(=O)[C@](Nc1ccccc1Cl)(c1c(C)[n-]n(-c2ccccc2)c1=O)C(F)(F)F ZINC000097949688 569746895 /nfs/dbraw/zinc/74/68/95/569746895.db2.gz NIQAFNSCKJJPDN-YLJYHZDGSA-N -1 0 453.848 4.655 50 0 JJAARM O=C1NC(=Cc2cc(Br)c([O-])c(Br)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000100371715 569758399 /nfs/dbraw/zinc/75/83/99/569758399.db2.gz IRCAMXATBPTMJB-NTUHNPAUSA-N -1 0 472.520 4.668 50 0 JJAARM COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3nc([N-]S(=O)(=O)c4ccccc4)nn32)cc1 ZINC000101000068 569778835 /nfs/dbraw/zinc/77/88/35/569778835.db2.gz HXZJFOPOIZOKKF-QFIPXVFZSA-N -1 0 493.976 4.797 50 0 JJAARM COc1ccc([C@H]2CC(c3ccccc3)=Nc3nc([N-]S(=O)(=O)c4ccc(Cl)cc4)nn32)cc1 ZINC000101010205 569779143 /nfs/dbraw/zinc/77/91/43/569779143.db2.gz AWIFWNKBUAKUJT-JOCHJYFZSA-N -1 0 493.976 4.797 50 0 JJAARM O=S(=O)([N-]c1nc2n(n1)[C@H](c1ccc(F)cc1)CC(c1ccccc1)=N2)c1ccc(Cl)cc1 ZINC000101021925 569779672 /nfs/dbraw/zinc/77/96/72/569779672.db2.gz GBAJGAHAYGROOW-NRFANRHFSA-N -1 0 481.940 4.927 50 0 JJAARM COc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=Nc2nc([N-]S(=O)(=O)c3ccccc3)nn21 ZINC000101030944 569780164 /nfs/dbraw/zinc/78/01/64/569780164.db2.gz UHZZFPLTWAQUSS-OAQYLSRUSA-N -1 0 493.976 4.797 50 0 JJAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3Cl)cnn2[C@H](c2ccc(Br)cc2)C1 ZINC000101071663 569781285 /nfs/dbraw/zinc/78/12/85/569781285.db2.gz VXHTUFWMKMYUAZ-KRWDZBQOSA-N -1 0 473.714 4.535 50 0 JJAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3Cl)cnn2[C@@H](c2cccc(Br)c2)C1 ZINC000101100854 569782649 /nfs/dbraw/zinc/78/26/49/569782649.db2.gz NAMVFBLWFUCXER-QGZVFWFLSA-N -1 0 473.714 4.535 50 0 JJAARM CCOc1ccc(-c2nc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C(C)C)cc5)c(=O)c3=4)c(C)o2)cc1 ZINC000101110792 569783225 /nfs/dbraw/zinc/78/32/25/569783225.db2.gz KBPIWMQJPPYNIH-GOTSBHOMSA-N -1 0 473.533 4.666 50 0 JJAARM CCCOc1ccc(N(C(=O)c2ccco2)C2=C([O-])N(c3ccc(OCCC)cc3)C(=O)C2)cc1 ZINC000101138289 569784266 /nfs/dbraw/zinc/78/42/66/569784266.db2.gz ZNQFHBJZJVSAPN-HSZRJFAPSA-N -1 0 476.529 4.836 50 0 JJAARM Cc1ccc(N2C(=O)[N-]C(=O)C(=C(NCc3ccc(C(F)(F)F)cc3)Nc3ccccc3)C2=O)cc1 ZINC000101382296 569795376 /nfs/dbraw/zinc/79/53/76/569795376.db2.gz ILTYKUQRUQAGDZ-DQRAZIAOSA-N -1 0 494.473 4.710 50 0 JJAARM Cc1ccc(N2C(=O)[N-]C(=O)C(=C(NCCc3c[nH]c4ccccc34)c3ccc(Cl)cc3)C2=O)cc1 ZINC000101380735 569795378 /nfs/dbraw/zinc/79/53/78/569795378.db2.gz UIQPOLNDCYNBNS-OCOZRVBESA-N -1 0 498.970 4.956 50 0 JJAARM COc1ccc(OC)c([C@@H]2CC(c3c([O-])n(C)c(=S)n(C)c3=O)=Nc3ccccc3S2)c1 ZINC000101495021 569800090 /nfs/dbraw/zinc/80/00/90/569800090.db2.gz PFGTXNVMSGUNLG-IBGZPJMESA-N -1 0 469.588 4.534 50 0 JJAARM O=c1[nH]c([O-])c(C2=Nc3ccccc3S[C@H](c3cccc(O)c3)C2)c(=O)n1-c1cccc(Cl)c1 ZINC000101494875 569800156 /nfs/dbraw/zinc/80/01/56/569800156.db2.gz ZKKMQUNYQZNBLP-NRFANRHFSA-N -1 0 491.956 4.948 50 0 JJAARM COc1ccc(NC(=O)CCc2c(C)[n-]n(-c3nc(-c4ccc(F)cc4)cs3)c2=O)cc1 ZINC000101501500 569800873 /nfs/dbraw/zinc/80/08/73/569800873.db2.gz BBTDXHQHHROANS-UHFFFAOYSA-N -1 0 452.511 4.729 50 0 JJAARM COc1ccccc1-n1c(=O)[nH]c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(F)cc3)C2)c1=O ZINC000101766770 569804703 /nfs/dbraw/zinc/80/47/03/569804703.db2.gz TXDMKSOPZZFJGU-QFIPXVFZSA-N -1 0 489.528 4.737 50 0 JJAARM COc1ccc(NC(=O)Cc2c(C)[n-]n(-c3nc(-c4ccc(C)cc4)cs3)c2=O)c(OC)c1 ZINC000101831311 569805451 /nfs/dbraw/zinc/80/54/51/569805451.db2.gz OFUJGLNQZRBJCV-UHFFFAOYSA-N -1 0 464.547 4.517 50 0 JJAARM O=C(Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)NCc1cc2cc(F)ccc2s1 ZINC000040135705 569817591 /nfs/dbraw/zinc/81/75/91/569817591.db2.gz GFWOAAWXYWXLMR-UHFFFAOYSA-N -1 0 460.577 4.762 50 0 JJAARM CCOc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3cccc(Br)c3)[C@H]2C1=O ZINC000102756674 569821271 /nfs/dbraw/zinc/82/12/71/569821271.db2.gz ILRRTUNBFQAYMI-XPWALMASSA-N -1 0 493.357 4.899 50 0 JJAARM CCOc1ccc([C@H]2CCCN2C(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccco2)c3=O)cc1 ZINC000104088994 569840629 /nfs/dbraw/zinc/84/06/29/569840629.db2.gz VRZIYAYPMYBENP-HSZRJFAPSA-N -1 0 475.570 4.703 50 0 JJAARM Cc1ccc(C(=O)Nc2cccc(/C=C3/CCn4c3nc3cc(C(=O)[O-])ccc3c4=O)c2)cc1 ZINC000048333134 569845792 /nfs/dbraw/zinc/84/57/92/569845792.db2.gz USNPYQSWSJWIEQ-UYRXBGFRSA-N -1 0 451.482 4.600 50 0 JJAARM CCc1c(-c2ccc(F)cc2)nn2c1N[C@H](c1ccccc1)[C@H](c1ccccc1)[C@@]2(O)C(=O)[O-] ZINC000106937070 569855864 /nfs/dbraw/zinc/85/58/64/569855864.db2.gz PDLMORCYLKVRMX-CAKYRVLISA-N -1 0 457.505 4.932 50 0 JJAARM CCOc1cc(C(=O)[O-])cc(I)c1OCc1c(F)cccc1Cl ZINC000220972622 569883640 /nfs/dbraw/zinc/88/36/40/569883640.db2.gz JOUIDCLTAWTGMI-UHFFFAOYSA-N -1 0 450.631 4.760 50 0 JJAARM O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(Br)cc3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000229999772 570043462 /nfs/dbraw/zinc/04/34/62/570043462.db2.gz JZDBCNWYNNNJMC-PWRODBHTSA-N -1 0 467.294 4.639 50 0 JJAARM CCc1cc2c(cc1O[C@H](C)C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)oc(=O)cc2-c1ccccc1 ZINC000238881915 570047171 /nfs/dbraw/zinc/04/71/71/570047171.db2.gz BLKPFCUMGVQKSL-DBXWQHBBSA-N -1 0 477.557 4.797 50 0 JJAARM COc1ccc(-c2cc(=O)oc3c(C)c(O[C@@H](C)C(=O)NC[C@H]4CC[C@H](C(=O)[O-])CC4)ccc23)cc1 ZINC000238950539 570048237 /nfs/dbraw/zinc/04/82/37/570048237.db2.gz YNUPOGYQISPFQE-BJLQDIEVSA-N -1 0 493.556 4.552 50 0 JJAARM COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OC)c(OC)c2C(=O)[O-])c(OC)c1 ZINC000239439187 570052523 /nfs/dbraw/zinc/05/25/23/570052523.db2.gz ZOAAQRWBSAYBJU-FNZWTVRRSA-N -1 0 490.512 4.662 50 0 JJAARM COc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)c(-c5ccc(Cl)cc5)coc4c32)cc1O ZINC000253414615 570098462 /nfs/dbraw/zinc/09/84/62/570098462.db2.gz XZEXDJKODCJEDI-OAHLLOKOSA-N -1 0 464.857 4.974 50 0 JJAARM COc1ccc([C@H](CC(=O)NCCc2c[nH]c3ccccc23)c2c([O-])c3ccccc3oc2=O)cc1O ZINC000253470789 570099186 /nfs/dbraw/zinc/09/91/86/570099186.db2.gz DRGPCEPPYZOIQG-NRFANRHFSA-N -1 0 498.535 4.575 50 0 JJAARM COc1cc(OC)c([C@H]2CC(=O)Oc3ccc(C(=O)c4ccc(Cl)cc4)c([O-])c32)cc1OC ZINC000263586356 570171704 /nfs/dbraw/zinc/17/17/04/570171704.db2.gz SWUMHEUQMMGUOL-QGZVFWFLSA-N -1 0 468.889 4.743 50 0 JJAARM