smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc(N2CCOCC2)c(OCC)cc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000009285154 132229555 /nfs/dbraw/zinc/22/95/55/132229555.db2.gz ADISOPPRXLKFCS-UHFFFAOYSA-N -1 1 434.558 3.738 50 0 IHAAMM CCOc1ccc(-c2nc([O-])c(CC(=O)Nc3cccc(C(C)=O)c3)s2)cc1OC ZINC000035685020 520930344 /nfs/dbraw/zinc/93/03/44/520930344.db2.gz FNNLZPBARDTBRJ-IBGZPJMESA-N -1 1 426.494 3.714 50 0 IHAAMM CCc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCC(C(=O)OC)CC3)c([O-])n2n1 ZINC000022853594 522537238 /nfs/dbraw/zinc/53/72/38/522537238.db2.gz YHBAIIAKINOEQR-MRXNPFEDSA-N -1 1 434.949 3.687 50 0 IHAAMM CCn1c(C)nc2cc([N-]S(=O)(=O)c3ccccc3)cc(C(=O)NC3CCCC3)c21 ZINC000012182289 523147168 /nfs/dbraw/zinc/14/71/68/523147168.db2.gz XHQQRKGMZNLMHX-UHFFFAOYSA-N -1 1 426.542 3.838 50 0 IHAAMM COc1ccc(C)cc1NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000012630427 523841566 /nfs/dbraw/zinc/84/15/66/523841566.db2.gz BOYSLZBRFNCAPA-UHFFFAOYSA-N -1 1 440.477 3.785 50 0 IHAAMM COc1ccc(CN(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(OC)c1 ZINC000012630938 524000685 /nfs/dbraw/zinc/00/06/85/524000685.db2.gz GCLNAKSEBPLXTM-UHFFFAOYSA-N -1 1 440.521 3.777 50 0 IHAAMM COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000012561038 524647051 /nfs/dbraw/zinc/64/70/51/524647051.db2.gz KIRJQQACVXYCNQ-UHFFFAOYSA-N -1 1 444.440 3.586 50 0 IHAAMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(OC)cc3OC)cc2)cc1 ZINC000012548530 524690091 /nfs/dbraw/zinc/69/00/91/524690091.db2.gz DXGHCXCLKCDKGN-UHFFFAOYSA-N -1 1 442.493 3.766 50 0 IHAAMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 ZINC000012740682 524869461 /nfs/dbraw/zinc/86/94/61/524869461.db2.gz OSDIWHIYXNRDAB-UHFFFAOYSA-N -1 1 428.272 3.788 50 0 IHAAMM Cc1ccccc1-c1nc2cc(=O)[n-]n2c(SCC(=O)Nc2ccccc2Cl)n1 ZINC000015732542 525012117 /nfs/dbraw/zinc/01/21/17/525012117.db2.gz JXLBAUNWNWWIHE-UHFFFAOYSA-N -1 1 425.901 3.777 50 0 IHAAMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)[C@@H]1CCCO1 ZINC000012521277 525219693 /nfs/dbraw/zinc/21/96/93/525219693.db2.gz VLWSNLHDWWXUCK-UGSOOPFHSA-N -1 1 442.459 3.804 50 0 IHAAMM Cc1ccc(NC(=O)c2cnccn2)cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000012508028 525254159 /nfs/dbraw/zinc/25/41/59/525254159.db2.gz VQZBBSQIJVPOQZ-UHFFFAOYSA-N -1 1 436.415 3.857 50 0 IHAAMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3nnc(C4CC4)s3)cc2)ccc1F ZINC000012745192 525420110 /nfs/dbraw/zinc/42/01/10/525420110.db2.gz VVIOXACMLRVYAR-UHFFFAOYSA-N -1 1 432.502 3.916 50 0 IHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c(C)c1 ZINC000012757801 525605069 /nfs/dbraw/zinc/60/50/69/525605069.db2.gz IQUGJAHOENFMFC-UHFFFAOYSA-N -1 1 442.990 3.932 50 0 IHAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)c1cc(F)ccc1F ZINC000022648498 527233875 /nfs/dbraw/zinc/23/38/75/527233875.db2.gz GQLVSWCPXYIPGY-UHFFFAOYSA-N -1 1 446.431 3.789 50 0 IHAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)c1ccc(F)c(F)c1 ZINC000012605509 527234308 /nfs/dbraw/zinc/23/43/08/527234308.db2.gz NGIZEVFIOQZSFB-UHFFFAOYSA-N -1 1 446.431 3.789 50 0 IHAAMM O=C([O-])[C@@H](c1c[nH]c2ccc(Br)cc21)N1CCN(Cc2ccccc2)CC1 ZINC000020745513 527657342 /nfs/dbraw/zinc/65/73/42/527657342.db2.gz KTSPEILLNYPFJP-HXUWFJFHSA-N -1 1 428.330 3.874 50 0 IHAAMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2c(C)cc(Br)cc2C)cc1 ZINC000001095606 555627778 /nfs/dbraw/zinc/62/77/78/555627778.db2.gz NYIJAWAGGVAMCZ-UHFFFAOYSA-N -1 1 425.348 3.545 50 0 IHAAMM O=C([N-]Cc1ccc(CNC(=O)C(Cl)(Cl)Cl)cc1)C(Cl)(Cl)Cl ZINC000001112209 555632321 /nfs/dbraw/zinc/63/23/21/555632321.db2.gz XDXFIHQHQOVBHT-UHFFFAOYSA-N -1 1 426.942 3.659 50 0 IHAAMM CC(C)[C@H]1Cc2c(sc3c2c(=O)n(CCc2ccccc2)c2nnc([S-])n32)CO1 ZINC000001307909 555689680 /nfs/dbraw/zinc/68/96/80/555689680.db2.gz OJTKRIKYQUJWRV-OAHLLOKOSA-N -1 1 426.567 3.734 50 0 IHAAMM CC(C)(C)CC(C)(C)n1c(=S)[n-]nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000006167979 556079334 /nfs/dbraw/zinc/07/93/34/556079334.db2.gz MLNXCIPTLYPFJB-UHFFFAOYSA-N -1 1 438.619 3.800 50 0 IHAAMM CCOC(=O)[C@]([N-]c1ccc(C(C)=O)cc1)(NC(=O)c1ccccc1OC)C(F)(F)F ZINC000008637086 556194991 /nfs/dbraw/zinc/19/49/91/556194991.db2.gz RDYYJFZMZMZLSY-FQEVSTJZSA-N -1 1 438.402 3.561 50 0 IHAAMM COC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[n-]c(=O)c2[C@H]1c1ccc(O)cc1 ZINC000032655263 556413948 /nfs/dbraw/zinc/41/39/48/556413948.db2.gz GBAXZZYHEOPHEP-SFHVURJKSA-N -1 1 435.505 3.772 50 0 IHAAMM CCOc1ccc(NC(=O)Cc2sc(CC(=O)Nc3ccc(C)cc3)nc2[O-])cc1 ZINC000013146123 556488138 /nfs/dbraw/zinc/48/81/38/556488138.db2.gz WQRFDDOXVORDCN-SFHVURJKSA-N -1 1 425.510 3.792 50 0 IHAAMM O=C1N[C@H](c2cccc(Br)c2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000013149148 556490785 /nfs/dbraw/zinc/49/07/85/556490785.db2.gz QFHWXDRJPSSTMX-CPUCHLNUSA-N -1 1 443.219 3.553 50 0 IHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1C ZINC000015570621 556535645 /nfs/dbraw/zinc/53/56/45/556535645.db2.gz MLQILJURYKIRMW-UHFFFAOYSA-N -1 1 436.493 3.526 50 0 IHAAMM Cc1ccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2C)cc1F ZINC000032975667 556600388 /nfs/dbraw/zinc/60/03/88/556600388.db2.gz YZKLHHYFAPKJPA-RTBURBONSA-N -1 1 444.528 3.919 50 0 IHAAMM CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1C(=O)N1CCOCC1 ZINC000016625546 556618648 /nfs/dbraw/zinc/61/86/48/556618648.db2.gz BTLHBKVQSUFICY-UHFFFAOYSA-N -1 1 434.583 3.805 50 0 IHAAMM Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)cc3C)c(=O)[n-]2)cc1 ZINC000016840128 556645501 /nfs/dbraw/zinc/64/55/01/556645501.db2.gz LJXSAMCWHCWLQF-UHFFFAOYSA-N -1 1 443.550 3.671 50 0 IHAAMM CCOc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000011760769 556653832 /nfs/dbraw/zinc/65/38/32/556653832.db2.gz KCRXNTRRQKCBIN-UHFFFAOYSA-N -1 1 426.498 3.806 50 0 IHAAMM CCOc1ccc(S(=O)(=O)[N-]c2cc3sc(NC(=O)CC)nc3c(OC)c2)cc1 ZINC000033007902 556656869 /nfs/dbraw/zinc/65/68/69/556656869.db2.gz GYFABHKWJHWAND-UHFFFAOYSA-N -1 1 435.527 3.853 50 0 IHAAMM Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)c2cc(-c3ccccc3)on2)[n-]c(=O)c1C ZINC000012008495 556681055 /nfs/dbraw/zinc/68/10/55/556681055.db2.gz SIFFYDDWPFLECP-UHFFFAOYSA-N -1 1 442.435 3.740 50 0 IHAAMM CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C2CC2)CC3)cc1 ZINC000013696986 556712214 /nfs/dbraw/zinc/71/22/14/556712214.db2.gz FMFPNLFJJSHZQL-UHFFFAOYSA-N -1 1 427.526 3.525 50 0 IHAAMM CN(C(=O)COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)C1CCCCC1 ZINC000008735805 556846381 /nfs/dbraw/zinc/84/63/81/556846381.db2.gz PHVDFIPEZSUJPT-UHFFFAOYSA-N -1 1 448.516 3.574 50 0 IHAAMM Cn1c2ccccc2nc1CCc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000033116550 556862388 /nfs/dbraw/zinc/86/23/88/556862388.db2.gz XOHRVUCHSBMWGQ-UHFFFAOYSA-N -1 1 449.532 3.931 50 0 IHAAMM O=C(Cc1cc(=O)[n-]c(SCc2cccc(Cl)c2)n1)Nc1ccc2c(c1)OCCO2 ZINC000023138250 557021280 /nfs/dbraw/zinc/02/12/80/557021280.db2.gz SKJVRCJBTLGXSG-UHFFFAOYSA-N -1 1 443.912 3.668 50 0 IHAAMM CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)cc1 ZINC000046074723 557030921 /nfs/dbraw/zinc/03/09/21/557030921.db2.gz BNDLFGWPWJTOQQ-GOSISDBHSA-N -1 1 448.548 3.998 50 0 IHAAMM Cc1cccc(CSc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2cccc(F)c2)CC(=O)N3)c1 ZINC000046074812 557031035 /nfs/dbraw/zinc/03/10/35/557031035.db2.gz FUMLGKIUYDQBDE-INIZCTEOSA-N -1 1 438.484 3.574 50 0 IHAAMM CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)[n-]c(=O)c32)cc1 ZINC000046074959 557031517 /nfs/dbraw/zinc/03/15/17/557031517.db2.gz ZSITWJUYHALNMR-SFHVURJKSA-N -1 1 448.548 3.998 50 0 IHAAMM Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)c(C)c1 ZINC000046075495 557031933 /nfs/dbraw/zinc/03/19/33/557031933.db2.gz RIVRKNVGYUILRK-MRXNPFEDSA-N -1 1 434.521 3.744 50 0 IHAAMM CCNC(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4ccccc4)ccc3n2C)cc1 ZINC000033276961 557057952 /nfs/dbraw/zinc/05/79/52/557057952.db2.gz KRAIYWGOCSVTEF-UHFFFAOYSA-N -1 1 434.521 3.791 50 0 IHAAMM COC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)nc1C ZINC000072236016 557200885 /nfs/dbraw/zinc/20/08/85/557200885.db2.gz KVTAGQCUIBSJKC-UHFFFAOYSA-N -1 1 445.522 3.600 50 0 IHAAMM CC(=O)N1CCc2ccccc2[C@@H]1c1c(=O)[nH]c(=S)n(CCC2=CCCCC2)c1[O-] ZINC000101027508 557214169 /nfs/dbraw/zinc/21/41/69/557214169.db2.gz SGMXIKZJGBKSFE-HXUWFJFHSA-N -1 1 425.554 3.996 50 0 IHAAMM COc1ccc(OC)c([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000101050472 557216800 /nfs/dbraw/zinc/21/68/00/557216800.db2.gz BXPASGIBSLOURW-ZRBLBEILSA-N -1 1 430.460 3.755 50 0 IHAAMM CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000018068136 557235030 /nfs/dbraw/zinc/23/50/30/557235030.db2.gz UIBYGIRRCNPPCR-ZLNRFVROSA-N -1 1 430.460 3.842 50 0 IHAAMM COc1ccccc1CNC(=O)c1ccc2[n-]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1 ZINC000101828640 557300211 /nfs/dbraw/zinc/30/02/11/557300211.db2.gz XCZBSGFJUODVRS-UHFFFAOYSA-N -1 1 442.450 3.896 50 0 IHAAMM COc1cccc(CSc2nc(CC(=O)Nc3ccccc3SC)cc(=O)[n-]2)c1 ZINC000023138178 557312143 /nfs/dbraw/zinc/31/21/43/557312143.db2.gz JKUQJBPKMFRIPI-UHFFFAOYSA-N -1 1 427.551 3.974 50 0 IHAAMM Cc1ccc(S(=O)(=O)N(C)c2c(C)ccc(S(=O)(=O)[N-]c3ccncc3)c2C)cc1 ZINC000004149977 562942367 /nfs/dbraw/zinc/94/23/67/562942367.db2.gz MNFRVLMUCXTDFQ-UHFFFAOYSA-N -1 1 445.566 3.633 50 0 IHAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1F ZINC000008610023 562958008 /nfs/dbraw/zinc/95/80/08/562958008.db2.gz RJHKAQWYDWEPLR-UHFFFAOYSA-N -1 1 428.489 3.692 50 0 IHAAMM O=C([O-])/C=C/c1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)cc1 ZINC000025423977 563027520 /nfs/dbraw/zinc/02/75/20/563027520.db2.gz PFXDZDSBUXSGOM-VGOFMYFVSA-N -1 1 440.452 3.977 50 0 IHAAMM CC(=O)N[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C(C)C ZINC000015705043 568807511 /nfs/dbraw/zinc/80/75/11/568807511.db2.gz UQVHAUSXEQAKRN-IBGZPJMESA-N -1 1 437.949 3.548 50 0 IHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000013005689 568899384 /nfs/dbraw/zinc/89/93/84/568899384.db2.gz ACSPPFZXIFDAPZ-UHFFFAOYSA-N -1 1 442.468 3.594 50 0 IHAAMM COC(=O)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2C)cc1 ZINC000238937219 568910316 /nfs/dbraw/zinc/91/03/16/568910316.db2.gz UITDEGKNHFENLB-ZRBLBEILSA-N -1 1 442.471 3.833 50 0 IHAAMM CCCNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)ccc21 ZINC000064861817 568973938 /nfs/dbraw/zinc/97/39/38/568973938.db2.gz HMRDKXUCHIVUPT-UHFFFAOYSA-N -1 1 427.448 3.988 50 0 IHAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCCS3)cc1Cl ZINC000064952119 568997370 /nfs/dbraw/zinc/99/73/70/568997370.db2.gz RWPUORBUQJXMBN-UHFFFAOYSA-N -1 1 426.947 3.998 50 0 IHAAMM CCCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000065059838 569095643 /nfs/dbraw/zinc/09/56/43/569095643.db2.gz FXJPFVOGSRRZKP-UHFFFAOYSA-N -1 1 429.473 3.954 50 0 IHAAMM COc1ccc(OCC(=O)Nc2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000036394842 569098746 /nfs/dbraw/zinc/09/87/46/569098746.db2.gz WFSICGTXXZILCE-UHFFFAOYSA-N -1 1 426.494 3.822 50 0 IHAAMM CCOC(=O)C1=C(NC(=O)C=Cc2ccc(OC)cc2OC)[N-]c2ccccc2N=C1C ZINC000013122077 569125164 /nfs/dbraw/zinc/12/51/64/569125164.db2.gz BKFINEZYZMXQBP-ACCUITESSA-N -1 1 435.480 3.826 50 0 IHAAMM Cc1ccc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000065318805 569134349 /nfs/dbraw/zinc/13/43/49/569134349.db2.gz ASYKWDJRYOQXNA-UHFFFAOYSA-N -1 1 446.916 3.735 50 0 IHAAMM CCOc1ccc(-c2noc(CSc3nc(-c4ccncc4)cc(=O)[n-]3)n2)cc1OC ZINC000065330946 569137110 /nfs/dbraw/zinc/13/71/10/569137110.db2.gz DFLHZSWJNBPZNU-UHFFFAOYSA-N -1 1 437.481 3.994 50 0 IHAAMM C[C@@H](CCc1ccccc1)NC(=O)Cc1cc(=O)[n-]c(SCc2ccc(F)cc2)n1 ZINC000016851345 569165013 /nfs/dbraw/zinc/16/50/13/569165013.db2.gz FESXVNTWMQNZQT-INIZCTEOSA-N -1 1 425.529 3.881 50 0 IHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2ccco2)CCC3)cc1OC ZINC000016960040 569168087 /nfs/dbraw/zinc/16/80/87/569168087.db2.gz GSVZGCQNBGBTPY-UHFFFAOYSA-N -1 1 442.493 3.691 50 0 IHAAMM O=C1C[C@H](Sc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C(=O)N1c1ccccc1 ZINC000017102315 569173996 /nfs/dbraw/zinc/17/39/96/569173996.db2.gz TXRVWKQQQKQKPP-FQEVSTJZSA-N -1 1 438.530 3.912 50 0 IHAAMM Cc1ccc(-c2nc(NC=C3C(=O)[N-]C(=S)NC3=O)sc2-c2ccc(C)cc2)cc1 ZINC000013131944 569289586 /nfs/dbraw/zinc/28/95/86/569289586.db2.gz VXYXPGNOEMIKIR-UHFFFAOYSA-N -1 1 434.546 3.921 50 0 IHAAMM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc(F)c(F)c2F)CCO1 ZINC000096118401 569384450 /nfs/dbraw/zinc/38/44/50/569384450.db2.gz CFSIYHGGBLPFTN-XXFAHNHDSA-N -1 1 427.448 3.911 50 0 IHAAMM COC(=O)C[C@@H](c1c(=O)[nH][n-]c1Cc1cc(F)c(F)cc1F)c1ccc(O)c(OC)c1 ZINC000096231490 569387567 /nfs/dbraw/zinc/38/75/67/569387567.db2.gz XHCQFDPQPAKVID-GFCCVEGCSA-N -1 1 436.386 3.533 50 0 IHAAMM O=c1c2c3c(sc2n2c([S-])nnc2n1-c1ccccc1)CN(Cc1ccccc1)CC3 ZINC000008837014 569478149 /nfs/dbraw/zinc/47/81/49/569478149.db2.gz JVWDNTDRXYXIDJ-UHFFFAOYSA-N -1 1 445.573 3.942 50 0 IHAAMM CCCS(=O)(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC000009507834 569542116 /nfs/dbraw/zinc/54/21/16/569542116.db2.gz NGWBGRMCTJGBDO-UHFFFAOYSA-N -1 1 436.527 3.954 50 0 IHAAMM 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ZINC000085664750 568833881 /nfs/dbraw/zinc/83/38/81/568833881.db2.gz CYSLOLYXGUQXRW-UHFFFAOYSA-N -1 1 431.417 3.729 50 0 IHAAMM CC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(Br)cc3)ccc2s1 ZINC000015870087 568851514 /nfs/dbraw/zinc/85/15/14/568851514.db2.gz QKDGBDXWZMTXFU-UHFFFAOYSA-N -1 1 426.317 3.818 50 0 IHAAMM Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](CC(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000100557304 568852514 /nfs/dbraw/zinc/85/25/14/568852514.db2.gz FGUSFVWQNHUXQZ-SJLPKXTDSA-N -1 1 429.270 3.762 50 0 IHAAMM COc1cc2nc(=S)n3nc(COc4ccccc4Br)[n-]c3c2cc1OC ZINC000015974158 568861202 /nfs/dbraw/zinc/86/12/02/568861202.db2.gz SYRSWGKLEFOOKP-UHFFFAOYSA-N -1 1 447.314 3.925 50 0 IHAAMM CCCCCNC(=O)c1c[n-]c2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2c1=O ZINC000006181053 568867966 /nfs/dbraw/zinc/86/79/66/568867966.db2.gz LRXMKRWBKCVVAK-UHFFFAOYSA-N -1 1 441.553 3.663 50 0 IHAAMM COc1cccc(-c2csc3c2[n-]c(N2CCC[C@@H](C(=O)NCC(C)C)C2)nc3=O)c1 ZINC000064611707 568941546 /nfs/dbraw/zinc/94/15/46/568941546.db2.gz 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COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)c2ccco2)cc1OC ZINC000016960030 569168091 /nfs/dbraw/zinc/16/80/91/569168091.db2.gz YYFBLIAVBPSRCY-UHFFFAOYSA-N -1 1 442.493 3.691 50 0 IHAAMM COc1ccc(-c2cccc([N-]S(=O)(=O)c3ccc(OC(F)(F)F)cc3)c2)nn1 ZINC000016960165 569168096 /nfs/dbraw/zinc/16/80/96/569168096.db2.gz JEQRTSOHMARIRI-UHFFFAOYSA-N -1 1 425.388 3.852 50 0 IHAAMM COC(=O)c1cn(-c2ccc(-c3nc4cc(Cl)ccc4o3)c([O-])c2)cc2c(=O)[nH]nc1-2 ZINC000253400925 569288974 /nfs/dbraw/zinc/28/89/74/569288974.db2.gz FFMHTTVIERLLNM-UHFFFAOYSA-N -1 1 436.811 3.619 50 0 IHAAMM O=C(c1ccc([O-])cc1)C1CCN([C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000078808795 569319185 /nfs/dbraw/zinc/31/91/85/569319185.db2.gz HQZHSTBSJROWHD-FQEVSTJZSA-N -1 1 448.441 3.991 50 0 IHAAMM COc1ccc(OCCN(C)C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000019601409 569322928 /nfs/dbraw/zinc/32/29/28/569322928.db2.gz LLMAKVZXCXEYNP-UHFFFAOYSA-N -1 1 440.521 3.647 50 0 IHAAMM COC(=O)C[C@@H](c1c(Cc2ccc(OC)cc2)[n-][nH]c1=O)c1coc2ccccc2c1=O ZINC000096114581 569382887 /nfs/dbraw/zinc/38/28/87/569382887.db2.gz SXBHXLPRQRUBFH-QGZVFWFLSA-N -1 1 434.448 3.516 50 0 biogenic IHAAMM COC(=O)C[C@H](c1c(Cc2ccc(OC)cc2)[n-][nH]c1=O)c1coc2ccccc2c1=O ZINC000096114580 569382900 /nfs/dbraw/zinc/38/29/00/569382900.db2.gz SXBHXLPRQRUBFH-KRWDZBQOSA-N -1 1 434.448 3.516 50 0 biogenic IHAAMM CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000003353540 569447530 /nfs/dbraw/zinc/44/75/30/569447530.db2.gz PQXKTKRIOAGZIG-UHFFFAOYSA-N -1 1 436.477 3.537 50 0 IHAAMM O=C(NC[C@@H]1CCCO1)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl ZINC000003515946 569453113 /nfs/dbraw/zinc/45/31/13/569453113.db2.gz NQGCWLARALFSHO-AWEZNQCLSA-N -1 1 429.325 3.703 50 0 IHAAMM COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(CCOc4ccc(Cl)cc4)CC3)c2c1 ZINC000032101947 569460150 /nfs/dbraw/zinc/46/01/50/569460150.db2.gz DOLDNWQHFPLZCS-JOCHJYFZSA-N -1 1 443.931 3.652 50 0 IHAAMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC(C)C)cc1 ZINC000008840871 569478377 /nfs/dbraw/zinc/47/83/77/569478377.db2.gz INEQUKSQOGONKK-UHFFFAOYSA-N -1 1 429.542 3.771 50 0 IHAAMM O=C(Cc1sc(N2CCCC2)nc1[O-])Nc1ccc(C(=O)NC2CCCCCC2)cc1 ZINC000009413462 569531775 /nfs/dbraw/zinc/53/17/75/569531775.db2.gz KSIYZHWVBSMMIL-IBGZPJMESA-N -1 1 442.585 3.562 50 0 IHAAMM COC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3)cc2)cc1 ZINC000009467498 569538436 /nfs/dbraw/zinc/53/84/36/569538436.db2.gz XFBHYDGMGQEXFU-UHFFFAOYSA-N -1 1 440.477 3.535 50 0 IHAAMM CCc1c(C)nc(-n2nc(C)cc2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)[n-]c1=O ZINC000009660395 569556761 /nfs/dbraw/zinc/55/67/61/569556761.db2.gz JZHPCZKOEMJJSH-UHFFFAOYSA-N -1 1 429.908 3.584 50 0 IHAAMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-n3c(C)nc4ccccc4c3=O)c2)cc1 ZINC000009715074 569563035 /nfs/dbraw/zinc/56/30/35/569563035.db2.gz CNDJDALJHMBMAM-UHFFFAOYSA-N -1 1 435.505 3.894 50 0 IHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CCC3)cc1 ZINC000009569472 132321915 /nfs/dbraw/zinc/32/19/15/132321915.db2.gz PUKLFNIQNRWRAS-UHFFFAOYSA-N -1 1 442.562 3.937 50 0 IHAAMM CC(C)(C)OC(=O)N1CCN([C@H](C(=O)[O-])c2c[nH]c3cc(Br)ccc32)CC1 ZINC000012409762 518811212 /nfs/dbraw/zinc/81/12/12/518811212.db2.gz GSJHWSKIPKYSOE-INIZCTEOSA-N -1 1 438.322 3.609 50 0 IHAAMM CCN(CC)C(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(Br)c2)c1 ZINC000012508085 520561162 /nfs/dbraw/zinc/56/11/62/520561162.db2.gz NFTHYNVFEJNVKU-UHFFFAOYSA-N -1 1 441.347 3.741 50 0 IHAAMM CCOc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[n-]c(=O)c32)ccc1O ZINC000021784160 520776742 /nfs/dbraw/zinc/77/67/42/520776742.db2.gz OLQADQLPLLLBEJ-HNNXBMFYSA-N -1 1 441.484 3.780 50 0 IHAAMM CCOc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(Cl)cc2)cc1 ZINC000012291654 521245591 /nfs/dbraw/zinc/24/55/91/521245591.db2.gz OXYQSKGJXKRNST-TXPKVOOTSA-N -1 1 442.821 3.843 50 0 IHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)COc3ccccc3OC)c2)cc1 ZINC000015432950 524697633 /nfs/dbraw/zinc/69/76/33/524697633.db2.gz MHCCCMNNDKZGOB-UHFFFAOYSA-N -1 1 442.493 3.522 50 0 IHAAMM Cc1ccccc1NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1 ZINC000012745211 525264368 /nfs/dbraw/zinc/26/43/68/525264368.db2.gz FKVGWWRMICYANX-IBGZPJMESA-N -1 1 436.537 3.670 50 0 IHAAMM Cc1cc([N-]S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2C)ccc1Br ZINC000015669321 525286728 /nfs/dbraw/zinc/28/67/28/525286728.db2.gz HCWRVGKHZFHEBC-UHFFFAOYSA-N -1 1 434.315 3.617 50 0 IHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3noc(CNC(=O)c4ccccc4)n3)cc2)cc1 ZINC000021702538 525598240 /nfs/dbraw/zinc/59/82/40/525598240.db2.gz XKQWAWZSIGFBQN-UHFFFAOYSA-N -1 1 448.504 3.776 50 0 IHAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)c2)cc1 ZINC000012532617 525611936 /nfs/dbraw/zinc/61/19/36/525611936.db2.gz ANFOQSZGNNXAIV-UHFFFAOYSA-N -1 1 449.532 3.940 50 0 IHAAMM NC(=O)c1ccc(N2CCCC2)c([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000012541984 527056555 /nfs/dbraw/zinc/05/65/55/527056555.db2.gz ATRFIKZSRGHSMT-UHFFFAOYSA-N -1 1 447.866 3.859 50 0 IHAAMM O=C(Nc1ccccn1)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000012755948 527439009 /nfs/dbraw/zinc/43/90/09/527439009.db2.gz YDUXEQYXFAIADE-UHFFFAOYSA-N -1 1 432.299 3.897 50 0 IHAAMM O=C(c1ccccc1[O-])N1N=C(c2cccc(Br)c2)C[C@@]1(O)C(F)(F)F ZINC000001151676 555656679 /nfs/dbraw/zinc/65/66/79/555656679.db2.gz OZSPHFKKXSTPKD-MRXNPFEDSA-N -1 1 429.192 3.656 50 0 IHAAMM CNC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC000012988731 556427795 /nfs/dbraw/zinc/42/77/95/556427795.db2.gz MAUQAINFRQLIOV-UHFFFAOYSA-N -1 1 443.912 3.753 50 0 IHAAMM Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000014867627 556451841 /nfs/dbraw/zinc/45/18/41/556451841.db2.gz HWIIYUMXBLBSFH-UHFFFAOYSA-N -1 1 427.853 3.872 50 0 IHAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N(C(C)C)C(C)C)cc1 ZINC000028797102 556461160 /nfs/dbraw/zinc/46/11/60/556461160.db2.gz IKFRUPXBQRKNQA-SFHVURJKSA-N -1 1 446.569 3.987 50 0 IHAAMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cc(C(N)=O)ccc3N3CCCCC3)cc(Cl)c2O1 ZINC000072289727 556484542 /nfs/dbraw/zinc/48/45/42/556484542.db2.gz QFGDPUIKEIDUSN-ZDUSSCGKSA-N -1 1 449.960 3.553 50 0 IHAAMM O=C(Nc1ccc(F)c(F)c1)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000015588503 556536107 /nfs/dbraw/zinc/53/61/07/556536107.db2.gz FXOUROGDSMFICX-UHFFFAOYSA-N -1 1 432.404 3.747 50 0 IHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CCCC4)CC3)cc2)cc1OC ZINC000033274577 556558771 /nfs/dbraw/zinc/55/87/71/556558771.db2.gz CHNIVJKDORHIJQ-UHFFFAOYSA-N -1 1 444.553 3.595 50 0 IHAAMM O=S(=O)([N-]c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc2c(c1)CCC2 ZINC000016097936 556582752 /nfs/dbraw/zinc/58/27/52/556582752.db2.gz UGVLSFDMRJGIEW-UHFFFAOYSA-N -1 1 434.583 3.541 50 0 IHAAMM Cc1ccc2nc(Nc3nc(-c4cnc(N5CCCCC5)nc4C)cc(=O)[n-]3)nc(C)c2c1 ZINC000039383652 556628400 /nfs/dbraw/zinc/62/84/00/556628400.db2.gz NEUPUIIGCLGALS-UHFFFAOYSA-N -1 1 442.527 3.829 50 0 IHAAMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2cccnc2)CC3)cc1 ZINC000011906525 556671570 /nfs/dbraw/zinc/67/15/70/556671570.db2.gz YKKZCRFQZBHCLO-UHFFFAOYSA-N -1 1 437.521 3.873 50 0 IHAAMM Cc1ccc(C(=O)NCc2nc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)no2)cc1 ZINC000033122801 556863612 /nfs/dbraw/zinc/86/36/12/556863612.db2.gz UAWFFBUDGGDSMB-UHFFFAOYSA-N -1 1 448.504 3.776 50 0 IHAAMM COc1ccccc1CNC(=O)Cc1c(C)nc(SCc2cccc(Cl)c2)[n-]c1=O ZINC000023138586 557021669 /nfs/dbraw/zinc/02/16/69/557021669.db2.gz YIBZROIAVHSCCY-UHFFFAOYSA-N -1 1 443.956 3.892 50 0 IHAAMM CC[C@@H](C)NC(=O)[C@@H]1CCCN(c2nc(=O)c3scc(-c4cccc(OC)c4)c3[n-]2)C1 ZINC000049421324 557107820 /nfs/dbraw/zinc/10/78/20/557107820.db2.gz HGLRQBNUMRZUNV-GDBMZVCRSA-N -1 1 440.569 3.791 50 0 IHAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(Br)ccc2F)c1 ZINC000024925477 557179694 /nfs/dbraw/zinc/17/96/94/557179694.db2.gz IXFFNJMRENZJDE-UHFFFAOYSA-N -1 1 445.310 3.577 50 0 IHAAMM COc1ccc(NC(=O)c2ccccc2OCc2csc(C)n2)cc1[N-]S(C)(=O)=O ZINC000025600018 557218444 /nfs/dbraw/zinc/21/84/44/557218444.db2.gz HMMIVKZURIGYPP-UHFFFAOYSA-N -1 1 447.538 3.663 50 0 IHAAMM COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1C ZINC000024375904 557325433 /nfs/dbraw/zinc/32/54/33/557325433.db2.gz IUHIFZWPVNNWOU-UHFFFAOYSA-N -1 1 434.695 3.919 50 0 IHAAMM Cc1cccc(C)c1NC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccc(F)c(F)c1 ZINC000051316769 557465457 /nfs/dbraw/zinc/46/54/57/557465457.db2.gz VVPZKMDCZGOXCX-UHFFFAOYSA-N -1 1 441.463 3.735 50 0 IHAAMM CCOc1ccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)Nc3ccc(C)c(C)c3)n2)cc1 ZINC000008831195 562964933 /nfs/dbraw/zinc/96/49/33/562964933.db2.gz DWZXUQHXRSARDI-UHFFFAOYSA-N -1 1 449.536 3.831 50 0 IHAAMM CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2nc(SCc3ccccc3)[n-]c(=O)c21 ZINC000086056921 568642075 /nfs/dbraw/zinc/64/20/75/568642075.db2.gz IAOKHVMCCJSBLV-MRXNPFEDSA-N -1 1 437.521 3.944 50 0 IHAAMM O=C([O-])COc1ccc(-c2ccc3c(c2)OCO3)cc1CN1CCN(c2ccccc2)CC1 ZINC000299792751 568757707 /nfs/dbraw/zinc/75/77/07/568757707.db2.gz FTUOUHPPUVRGNQ-UHFFFAOYSA-N -1 1 446.503 3.868 50 0 IHAAMM CC(C)Oc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cn1 ZINC000078597216 568762139 /nfs/dbraw/zinc/76/21/39/568762139.db2.gz ZJZXAAKVSIOPLG-UHFFFAOYSA-N -1 1 443.500 3.739 50 0 IHAAMM O=C(Nc1cccc(F)c1)c1ccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 ZINC000001423444 568793191 /nfs/dbraw/zinc/79/31/91/568793191.db2.gz FIHQDOQWQSFYDV-UHFFFAOYSA-N -1 1 438.436 3.985 50 0 IHAAMM Cc1ccc([N-]S(=O)(=O)c2cc(-c3n[nH]c(=O)c4c3CCCC4)ccc2C)cc1F ZINC000015669388 568801905 /nfs/dbraw/zinc/80/19/05/568801905.db2.gz APUBXWATYKHYDB-UHFFFAOYSA-N -1 1 427.501 3.872 50 0 IHAAMM Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3cc(=O)[n-]n32)c(Cl)c1 ZINC000015732599 568815501 /nfs/dbraw/zinc/81/55/01/568815501.db2.gz CSVQLOWKBHSOFU-UHFFFAOYSA-N -1 1 425.901 3.777 50 0 IHAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCOCC4)nn3)cc2)cc1C ZINC000015882161 568856842 /nfs/dbraw/zinc/85/68/42/568856842.db2.gz LTBWENNHYFVANS-UHFFFAOYSA-N -1 1 438.553 3.706 50 0 IHAAMM C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C(=O)Cc1ccccc1 ZINC000089368678 568921351 /nfs/dbraw/zinc/92/13/51/568921351.db2.gz WXFPPGCVDDLENV-INIZCTEOSA-N -1 1 440.496 3.557 50 0 IHAAMM O=C1N[C@H](c2ccccc2)C(=C([O-])c2ccc(Br)cc2)[C@](O)(C(F)(F)F)N1 ZINC000004163839 568939594 /nfs/dbraw/zinc/93/95/94/568939594.db2.gz SCVHLNZCSIMTDW-VBQJREDUSA-N -1 1 443.219 3.553 50 0 IHAAMM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccccc2CN2CCC[C@@H](C(N)=O)C2)s1 ZINC000170617465 569147359 /nfs/dbraw/zinc/14/73/59/569147359.db2.gz SRFAHFWJMSBSKR-MRXNPFEDSA-N -1 1 435.615 3.544 50 0 IHAAMM Cc1nn(-c2nc(C)c(C)c(=O)[n-]2)c(C)c1CCC(=O)Nc1cc(C)nc2ccccc21 ZINC000016980850 569169279 /nfs/dbraw/zinc/16/92/79/569169279.db2.gz SXOGDJKKAPWFHC-UHFFFAOYSA-N -1 1 430.512 3.617 50 0 IHAAMM Cc1cc([O-])c(C2=NCCS[C@H](c3cccc(I)c3)C2)c(=O)o1 ZINC000198440599 569209271 /nfs/dbraw/zinc/20/92/71/569209271.db2.gz ZCHSAECIOQBFNF-HNNXBMFYSA-N -1 1 441.290 3.926 50 0 IHAAMM COc1ccc(Cn2ncc(Br)c2[N-]S(=O)(=O)c2ccccc2C)cc1 ZINC000095977798 569377804 /nfs/dbraw/zinc/37/78/04/569377804.db2.gz CMVMCWWGUJTRPW-UHFFFAOYSA-N -1 1 436.331 3.812 50 0 IHAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2c(Br)cnn2C)cc1 ZINC000002760164 569420485 /nfs/dbraw/zinc/42/04/85/569420485.db2.gz WOVBAZGHCQZXGE-UHFFFAOYSA-N -1 1 449.330 3.544 50 0 IHAAMM O=C(Cc1cc(Cl)c2c(c1)OCCCO2)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000040040065 569483377 /nfs/dbraw/zinc/48/33/77/569483377.db2.gz KANOKLBSQTXNGC-UHFFFAOYSA-N -1 1 429.900 3.871 50 0 IHAAMM Cc1c2cc3c(-c4ccc(F)cc4)coc3cc2oc(=O)c1CCC(=O)Nc1nnn[n-]1 ZINC000009051030 569498673 /nfs/dbraw/zinc/49/86/73/569498673.db2.gz XPRGBLQECBANSN-UHFFFAOYSA-N -1 1 433.399 3.738 50 0 IHAAMM Cc1c2cc3c(-c4ccc(F)cc4)coc3cc2oc(=O)c1CCC(=O)Nc1nn[n-]n1 ZINC000009051030 569498674 /nfs/dbraw/zinc/49/86/74/569498674.db2.gz XPRGBLQECBANSN-UHFFFAOYSA-N -1 1 433.399 3.738 50 0 IHAAMM Cc1c2occ(-c3ccccc3)c2cc2c(C)c(CCC(=O)Nc3nnn[n-]3)c(=O)oc12 ZINC000009134044 569506983 /nfs/dbraw/zinc/50/69/83/569506983.db2.gz WQAMUVMAKPSHAT-UHFFFAOYSA-N -1 1 429.436 3.907 50 0 IHAAMM Cc1c2occ(-c3ccccc3)c2cc2c(C)c(CCC(=O)Nc3nn[n-]n3)c(=O)oc12 ZINC000009134044 569506984 /nfs/dbraw/zinc/50/69/84/569506984.db2.gz WQAMUVMAKPSHAT-UHFFFAOYSA-N -1 1 429.436 3.907 50 0 IHAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CC)cc1F ZINC000009166559 569508938 /nfs/dbraw/zinc/50/89/38/569508938.db2.gz ZHHWQRMGPZHSQN-UHFFFAOYSA-N -1 1 436.505 3.797 50 0 IHAAMM COCCNC(=S)Nc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC000009373615 569527042 /nfs/dbraw/zinc/52/70/42/569527042.db2.gz AURNLKACQLNEGV-UHFFFAOYSA-N -1 1 447.554 3.735 50 0 IHAAMM Cc1ccc(S(=O)(=O)N2CCCCC2)cc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000009539819 569545645 /nfs/dbraw/zinc/54/56/45/569545645.db2.gz PQOBQQBSYLKHDU-UHFFFAOYSA-N -1 1 446.953 3.763 50 0 IHAAMM COc1ccccc1CCNC(=O)COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000009576343 569548079 /nfs/dbraw/zinc/54/80/79/569548079.db2.gz KBHVGLSKNUICFS-UHFFFAOYSA-N -1 1 445.471 3.912 50 0 biogenic IHAAMM COc1ccccc1CCNC(=O)COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000009576343 569548080 /nfs/dbraw/zinc/54/80/80/569548080.db2.gz KBHVGLSKNUICFS-UHFFFAOYSA-N -1 1 445.471 3.912 50 0 biogenic IHAAMM Cc1cccc(NC(=O)[C@@H]([N-]S(=O)(=O)c2cccc3nsnc32)c2ccccc2)c1 ZINC000009692609 569561127 /nfs/dbraw/zinc/56/11/27/569561127.db2.gz ZYNVLRPNLAILCZ-IBGZPJMESA-N -1 1 438.534 3.658 50 0 IHAAMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc([C@H](C)O)cc3)cc2)c(O)c1 ZINC000009780580 569567503 /nfs/dbraw/zinc/56/75/03/569567503.db2.gz XUYGGYAUVMQAEA-HNNXBMFYSA-N -1 1 426.494 3.807 50 0 IHAAMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc([C@@H](C)O)cc3)cc2)c(O)c1 ZINC000009780578 569567528 /nfs/dbraw/zinc/56/75/28/569567528.db2.gz XUYGGYAUVMQAEA-OAHLLOKOSA-N -1 1 426.494 3.807 50 0 IHAAMM Cc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n(-c2nc(C)c(C)c(=O)[n-]2)n1 ZINC000009822338 569569519 /nfs/dbraw/zinc/56/95/19/569569519.db2.gz GKVUFOZCGTWNTI-UHFFFAOYSA-N -1 1 425.920 3.985 50 0 IHAAMM Cc1ccc(-n2ncc3c2ncn([N-]C(=O)c2ccc(Cl)cc2Cl)c3=O)cc1C ZINC000010252055 569579850 /nfs/dbraw/zinc/57/98/50/569579850.db2.gz RFGHIQOHRYLDNY-UHFFFAOYSA-N -1 1 428.279 3.890 50 0 IHAAMM O=S(=O)([N-]c1cc(Cl)ccc1N1CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC000003435270 132265445 /nfs/dbraw/zinc/26/54/45/132265445.db2.gz FXDARMIBKPEGHL-UHFFFAOYSA-N -1 1 436.839 3.876 50 0 IHAAMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)COC)CCC3)cc1C ZINC000021756903 520412979 /nfs/dbraw/zinc/41/29/79/520412979.db2.gz WEXWDWAAIALMAA-UHFFFAOYSA-N -1 1 432.542 3.510 50 0 IHAAMM COc1ccc(-c2nc3c(c(=O)[n-]2)Cc2cc(Br)cc(OC)c2O3)c(OC)c1 ZINC000020467726 523223115 /nfs/dbraw/zinc/22/31/15/523223115.db2.gz YRCUKCHVEJNBOI-UHFFFAOYSA-N -1 1 445.269 3.922 50 0 IHAAMM COc1ccc(CCNC(=O)COc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c2)cc1 ZINC000012896002 523958965 /nfs/dbraw/zinc/95/89/65/523958965.db2.gz LYMJVIMOLVYVFB-UHFFFAOYSA-N -1 1 445.471 3.912 50 0 biogenic IHAAMM COc1ccc(CCNC(=O)COc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c2)cc1 ZINC000012896002 523958970 /nfs/dbraw/zinc/95/89/70/523958970.db2.gz LYMJVIMOLVYVFB-UHFFFAOYSA-N -1 1 445.471 3.912 50 0 biogenic IHAAMM COc1ccccc1N1CCN(C(=O)CCn2c(=S)[n-]nc2-c2cccc(C)c2)CC1 ZINC000012593070 524542875 /nfs/dbraw/zinc/54/28/75/524542875.db2.gz WKXOTPLDUVGUSS-UHFFFAOYSA-N -1 1 437.569 3.664 50 0 IHAAMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)cc1 ZINC000012548521 524690215 /nfs/dbraw/zinc/69/02/15/524690215.db2.gz BAVSOFUELRCFRK-UHFFFAOYSA-N -1 1 440.477 3.520 50 0 IHAAMM Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000012408567 525966575 /nfs/dbraw/zinc/96/65/75/525966575.db2.gz GUTKCWVEWANXSH-UHFFFAOYSA-N -1 1 441.911 3.903 50 0 IHAAMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(Sc2nncn2C)cc1 ZINC000012650245 525986614 /nfs/dbraw/zinc/98/66/14/525986614.db2.gz DHDCPTVTHVZIKB-UHFFFAOYSA-N -1 1 439.360 3.838 50 0 IHAAMM CSc1cccc(NC(=O)CSc2nc(-c3ccccc3F)nc3cc(=O)[n-]n32)c1 ZINC000020987115 526114238 /nfs/dbraw/zinc/11/42/38/526114238.db2.gz URZDESGVYMEXLP-UHFFFAOYSA-N -1 1 441.513 3.676 50 0 IHAAMM CSc1nc(C)c(CCC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)c(=O)[n-]1 ZINC000012751825 526213424 /nfs/dbraw/zinc/21/34/24/526213424.db2.gz DOQFFJTXEMTGMJ-UHFFFAOYSA-N -1 1 428.539 3.698 50 0 IHAAMM Cc1csc2nc(-c3ccc([N-]S(=O)(=O)c4ccc5c(c4)OCCO5)cc3)cn12 ZINC000017144078 526451815 /nfs/dbraw/zinc/45/18/15/526451815.db2.gz VKFPACHSHQFABC-UHFFFAOYSA-N -1 1 427.507 3.943 50 0 IHAAMM Cc1nc(-n2nc(C3CC3)cc2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)[n-]c(=O)c1C ZINC000012127133 526626284 /nfs/dbraw/zinc/62/62/84/526626284.db2.gz CTJYQTZWOLVRIH-UHFFFAOYSA-N -1 1 441.919 3.899 50 0 IHAAMM CN1CCN(c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000010762236 536424246 /nfs/dbraw/zinc/42/42/46/536424246.db2.gz IHEYEPCAENKEAO-UHFFFAOYSA-N -1 1 433.883 3.911 50 0 IHAAMM COCCCNC(=O)c1ccc(N2CCCCC2)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000003007794 536586433 /nfs/dbraw/zinc/58/64/33/536586433.db2.gz OAEKFCNYSZASCE-UHFFFAOYSA-N -1 1 445.585 3.552 50 0 IHAAMM CC(C)[C@@H]1Cc2c(sc3c2c(=O)n(CCc2ccccc2)c2nnc([S-])n32)CO1 ZINC000001307910 555689716 /nfs/dbraw/zinc/68/97/16/555689716.db2.gz OJTKRIKYQUJWRV-HNNXBMFYSA-N -1 1 426.567 3.734 50 0 IHAAMM Cc1ccc(S(=O)(=O)N(C)c2cc(S(=O)(=O)[N-]c3ccncc3)c(C)cc2C)cc1 ZINC000004149973 555968698 /nfs/dbraw/zinc/96/86/98/555968698.db2.gz JUXUSTVASYATQN-UHFFFAOYSA-N -1 1 445.566 3.633 50 0 IHAAMM COC(=O)c1cc(CNC(=O)C2CCCCC2)cc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000011785299 556353216 /nfs/dbraw/zinc/35/32/16/556353216.db2.gz JTSJHXYAWPWCOZ-UHFFFAOYSA-N -1 1 448.516 3.610 50 0 IHAAMM Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)[n-]c2SCC(=O)N2CCCC2)cc1 ZINC000016847768 556647503 /nfs/dbraw/zinc/64/75/03/556647503.db2.gz XCJCBKDBAOZDEC-UHFFFAOYSA-N -1 1 441.578 3.932 50 0 IHAAMM COc1ccc(Cl)cc1C(=O)Nc1cc(-c2cccs2)nn1-c1nc(C)cc(=O)[n-]1 ZINC000011854400 556661808 /nfs/dbraw/zinc/66/18/08/556661808.db2.gz WETSUSZUKAMFQM-UHFFFAOYSA-N -1 1 441.900 3.907 50 0 IHAAMM Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)c2c(F)cccc2Cl)[n-]c(=O)c1C ZINC000012008211 556680748 /nfs/dbraw/zinc/68/07/48/556680748.db2.gz HPQZEFPOKLUEEV-UHFFFAOYSA-N -1 1 427.823 3.877 50 0 IHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(n4ccnc4)CC3)cc2)cc1C ZINC000058142620 556761382 /nfs/dbraw/zinc/76/13/82/556761382.db2.gz ZFJBJFDBCQOVLB-UHFFFAOYSA-N -1 1 438.553 3.778 50 0 IHAAMM CCOC(=O)c1sc(NC(=O)Cc2cc(=O)[n-]c(SCc3ccccc3)n2)nc1C ZINC000023137971 557018320 /nfs/dbraw/zinc/01/83/20/557018320.db2.gz RSZCXRJSOIKSGP-UHFFFAOYSA-N -1 1 444.538 3.597 50 0 IHAAMM Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](C(=O)c1ccc([O-])cc1)CC(=O)N2 ZINC000046057071 557028759 /nfs/dbraw/zinc/02/87/59/557028759.db2.gz GIKGZBXSKCVZGN-MRXNPFEDSA-N -1 1 426.270 3.958 50 0 IHAAMM CC[C@@H](C)NC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4cccc(OC)c4)c3[n-]2)C1 ZINC000049421326 557108175 /nfs/dbraw/zinc/10/81/75/557108175.db2.gz HGLRQBNUMRZUNV-ZBFHGGJFSA-N -1 1 440.569 3.791 50 0 IHAAMM CC(=O)N1CCc2ccccc2[C@H]1c1c(=O)[nH]c(=S)n(CCC2=CCCCC2)c1[O-] ZINC000101027511 557213956 /nfs/dbraw/zinc/21/39/56/557213956.db2.gz SGMXIKZJGBKSFE-FQEVSTJZSA-N -1 1 425.554 3.996 50 0 IHAAMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc1F ZINC000026564606 557244771 /nfs/dbraw/zinc/24/47/71/557244771.db2.gz PVOUNGCDVNFZLO-UHFFFAOYSA-N -1 1 442.468 3.958 50 0 IHAAMM COc1ccc(-n2nc3c4cc(C(=O)NCc5ccccc5F)ccc4[n-]cc-3c2=O)cc1 ZINC000101281844 557266953 /nfs/dbraw/zinc/26/69/53/557266953.db2.gz QJDUPVTYEMCQNM-UHFFFAOYSA-N -1 1 442.450 3.896 50 0 IHAAMM CCC(=O)N(Cc1cccs1)c1nn2c([n-]1)nc(C)c(Cc1ccc(Cl)cc1)c2=O ZINC000101861523 557304078 /nfs/dbraw/zinc/30/40/78/557304078.db2.gz SKSIXDJODLBGAI-UHFFFAOYSA-N -1 1 441.944 3.975 50 0 IHAAMM CCCCc1c(C)nc2[n-]c(N(Cc3cccc(OC)c3)C(=O)c3ccccc3)nn2c1=O ZINC000101878598 557304545 /nfs/dbraw/zinc/30/45/45/557304545.db2.gz HHTTVUYYWOXFDA-UHFFFAOYSA-N -1 1 445.523 3.924 50 0 IHAAMM CCOC(=O)C(=C([O-])CSc1nnc(-c2c[nH]c3ccccc32)o1)c1nc(C)cs1 ZINC000103056209 557416915 /nfs/dbraw/zinc/41/69/15/557416915.db2.gz ZRMZOYIOTDZDBP-MRXNPFEDSA-N -1 1 442.522 3.991 50 0 IHAAMM CCOC(=O)C1=C(C)Nc2nc(SC)[n-]c(=O)c2[C@H]1c1ccc(Br)cc1 ZINC000044973702 557541975 /nfs/dbraw/zinc/54/19/75/557541975.db2.gz WSDIXOAVYPAFQU-ZDUSSCGKSA-N -1 1 436.331 3.649 50 0 IHAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccccn1 ZINC000006177565 568852658 /nfs/dbraw/zinc/85/26/58/568852658.db2.gz BYSRGEMXCPMSJI-UHFFFAOYSA-N -1 1 437.503 3.837 50 0 IHAAMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000241897133 568912507 /nfs/dbraw/zinc/91/25/07/568912507.db2.gz TVVXSNKXYHGULA-VAMGGRTRSA-N -1 1 432.517 3.512 50 0 IHAAMM CC[N@@H+]1CCN2c3cccc(Cl)c3C[C@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@H]2C1 ZINC000245325970 568915009 /nfs/dbraw/zinc/91/50/09/568915009.db2.gz IIWDOUYSHMKYQW-AUSIDOKSSA-N -1 1 438.915 3.516 50 0 IHAAMM Cc1cc(C)cc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N(C)Cc2ccccc2)c1 ZINC000064843751 568971876 /nfs/dbraw/zinc/97/18/76/568971876.db2.gz OPGIPHNITBEJHF-UHFFFAOYSA-N -1 1 425.510 3.834 50 0 IHAAMM CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2noc(C(=O)N3CCCC3)n2)ccc1C ZINC000065318817 569134589 /nfs/dbraw/zinc/13/45/89/569134589.db2.gz RTIMAIAODYCSOD-UHFFFAOYSA-N -1 1 440.525 3.644 50 0 IHAAMM Cc1cccc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCCCC4)n3)ccc2C)c1 ZINC000065318981 569134692 /nfs/dbraw/zinc/13/46/92/569134692.db2.gz HRVQPVVCDYGEQB-UHFFFAOYSA-N -1 1 440.525 3.780 50 0 IHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C2CCCC2)CC3)cc1OC ZINC000013696289 569156573 /nfs/dbraw/zinc/15/65/73/569156573.db2.gz WCAIUSXGMCJUDI-UHFFFAOYSA-N -1 1 430.526 3.584 50 0 IHAAMM CC(=O)c1cccc(NS(=O)(=O)c2cc(Br)c(Cl)c(C(=O)[O-])c2)c1O ZINC000328595983 569317805 /nfs/dbraw/zinc/31/78/05/569317805.db2.gz MICTXMOODAOHMY-UHFFFAOYSA-N -1 1 448.678 3.510 50 0 IHAAMM Cc1ccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CN(Cc2ccc(F)cc2)CC3)cc1 ZINC000067291477 569467691 /nfs/dbraw/zinc/46/76/91/569467691.db2.gz ZTYYIBBXAOBVER-UHFFFAOYSA-N -1 1 438.528 3.919 50 0 IHAAMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3C)c(C)c1 ZINC000009165826 569508767 /nfs/dbraw/zinc/50/87/67/569508767.db2.gz XHXBUSHPRMJVGK-UHFFFAOYSA-N -1 1 445.541 3.526 50 0 IHAAMM C[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc(-n2cncn2)cc1 ZINC000009220055 569512567 /nfs/dbraw/zinc/51/25/67/569512567.db2.gz GNLYKZMKYIDJRB-KRWDZBQOSA-N -1 1 447.520 3.559 50 0 IHAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000009468064 569538558 /nfs/dbraw/zinc/53/85/58/569538558.db2.gz IXQGWDLNQKEAQI-AEFFLSMTSA-N -1 1 442.537 3.868 50 0 IHAAMM O=C(NCc1ccco1)C(=C([O-])c1cccc(Br)c1)n1cc(Cl)ccc1=O ZINC000009601246 569551618 /nfs/dbraw/zinc/55/16/18/569551618.db2.gz ITRGMLCARBIONI-QGZVFWFLSA-N -1 1 449.688 3.598 50 0 IHAAMM Cc1ccc(OCCOCCSc2nc(-c3cccs3)nc3cc(=O)[n-]n32)cc1 ZINC000009641430 569555677 /nfs/dbraw/zinc/55/56/77/569555677.db2.gz DIZYXTICZJAWSY-UHFFFAOYSA-N -1 1 428.539 3.642 50 0 IHAAMM O=C(Nc1nnc(-c2cccs2)o1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000009714759 569562856 /nfs/dbraw/zinc/56/28/56/569562856.db2.gz CLNYBAPNHAKSAR-UHFFFAOYSA-N -1 1 426.479 3.851 50 0 IHAAMM O=C(Nc1nnc(-c2ccco2)o1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009714951 569562944 /nfs/dbraw/zinc/56/29/44/569562944.db2.gz MQTHCPRRMDGLIL-UHFFFAOYSA-N -1 1 428.401 3.522 50 0 IHAAMM CCOc1cc(N2CCOCC2)c(OCC)cc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000002636391 132255504 /nfs/dbraw/zinc/25/55/04/132255504.db2.gz IECUCZYHLCEQTP-UHFFFAOYSA-N -1 1 434.558 3.738 50 0 IHAAMM CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1C ZINC000035378133 523856366 /nfs/dbraw/zinc/85/63/66/523856366.db2.gz AGXAHIYHHJTBQH-UHFFFAOYSA-N -1 1 448.342 3.871 50 0 IHAAMM Cc1nc2[n-]c(N(Cc3ccc(Cl)cc3)C(=O)CCc3ccccc3)nn2c(=O)c1C ZINC000021807003 525448691 /nfs/dbraw/zinc/44/86/91/525448691.db2.gz WJVISHUNHYJECJ-UHFFFAOYSA-N -1 1 435.915 3.854 50 0 IHAAMM C[C@@H](O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3cccs3)cc2)cc1 ZINC000012548682 525869913 /nfs/dbraw/zinc/86/99/13/525869913.db2.gz QIPKUNNSQKRPEX-OAHLLOKOSA-N -1 1 430.551 3.874 50 0 IHAAMM O=S(=O)([N-]c1ccc(-c2ccc3nnc(-c4ccccn4)n3n2)cc1)c1ccccc1 ZINC000011665572 527246579 /nfs/dbraw/zinc/24/65/79/527246579.db2.gz GCAGWIXSUUQTMB-UHFFFAOYSA-N -1 1 428.477 3.654 50 0 IHAAMM CCOc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(Cl)cc2)cc1 ZINC000001052629 555613591 /nfs/dbraw/zinc/61/35/91/555613591.db2.gz OXYQSKGJXKRNST-GJYPPUQNSA-N -1 1 442.821 3.843 50 0 IHAAMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(Br)c2)ccc1Cl ZINC000001120080 555637384 /nfs/dbraw/zinc/63/73/84/555637384.db2.gz ZUHNZAJLBKLAPT-UHFFFAOYSA-N -1 1 434.695 3.699 50 0 IHAAMM CCc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)cc3)c(=O)[n-]2)cc1 ZINC000002699256 555800052 /nfs/dbraw/zinc/80/00/52/555800052.db2.gz PHRMORKJVKXWKC-UHFFFAOYSA-N -1 1 443.550 3.617 50 0 IHAAMM O=C(Cc1sc(NC2CC2)nc1[O-])Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000013102145 556461059 /nfs/dbraw/zinc/46/10/59/556461059.db2.gz ADGSHQWNLTUDRG-KRWDZBQOSA-N -1 1 427.913 3.650 50 0 IHAAMM COCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)cc2)CC1 ZINC000033274734 556559106 /nfs/dbraw/zinc/55/91/06/556559106.db2.gz QOKNPVHVRQFIIU-UHFFFAOYSA-N -1 1 436.961 3.634 50 0 IHAAMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N[C@H](c2nnc3ccccn32)C(C)C)c1 ZINC000072310115 556579033 /nfs/dbraw/zinc/57/90/33/556579033.db2.gz GNSFFPOBRIKEIQ-IBGZPJMESA-N -1 1 435.557 3.862 50 0 IHAAMM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc([NH+]3CCCCCC3)cc2C(=O)[O-])c1 ZINC000033007244 556655874 /nfs/dbraw/zinc/65/58/74/556655874.db2.gz DGQSOJJHGKAOCR-UHFFFAOYSA-N -1 1 434.514 3.583 50 0 IHAAMM Cc1cc(Cc2ccc(S(=O)(=O)[N-]c3ccc(Br)c(C)c3)cc2)c(=O)[nH]n1 ZINC000033026627 556703198 /nfs/dbraw/zinc/70/31/98/556703198.db2.gz IFESFUJLGFWLMY-UHFFFAOYSA-N -1 1 448.342 3.541 50 0 IHAAMM Cc1oc(-c2n[nH]cc2C(=O)N2CCCCC2)cc1S(=O)(=O)[N-]c1ccc(C)cc1F ZINC000097940905 556810674 /nfs/dbraw/zinc/81/06/74/556810674.db2.gz VEZOBALNORPXMQ-UHFFFAOYSA-N -1 1 446.504 3.853 50 0 IHAAMM Cc1nc(SCc2ccccc2)[n-]c(=O)c1CC(=O)NCCc1c[nH]c2ccccc12 ZINC000023138462 557021766 /nfs/dbraw/zinc/02/17/66/557021766.db2.gz BZQOJKDUUZJPLP-UHFFFAOYSA-N -1 1 432.549 3.753 50 0 IHAAMM COc1ccc(CCNC(=O)Cc2c(C)nc(S[C@@H](C)c3ccccc3)[n-]c2=O)cc1 ZINC000023138695 557022052 /nfs/dbraw/zinc/02/20/52/557022052.db2.gz FEYVEBKUJUCWLX-KRWDZBQOSA-N -1 1 437.565 3.842 50 0 IHAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)C[C@@H](C)S3)cc1OC ZINC000032943984 557022392 /nfs/dbraw/zinc/02/23/92/557022392.db2.gz KUENLUFQZRXMPY-CYBMUJFWSA-N -1 1 448.566 3.742 50 0 IHAAMM CCc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000046027679 557023959 /nfs/dbraw/zinc/02/39/59/557023959.db2.gz ATHGVWOSUGIYCC-UHFFFAOYSA-N -1 1 441.528 3.828 50 0 IHAAMM Cc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)c1 ZINC000046074673 557031083 /nfs/dbraw/zinc/03/10/83/557031083.db2.gz VRSXBSITTVSJPS-QGZVFWFLSA-N -1 1 434.521 3.744 50 0 IHAAMM CCc1cc(Sc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n2nc(C)nc2n1 ZINC000033276047 557055023 /nfs/dbraw/zinc/05/50/23/557055023.db2.gz TYPPNLIHBVHZNL-UHFFFAOYSA-N -1 1 425.539 3.947 50 0 IHAAMM CC[C@@H](C)NC(=O)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[n-]2)CC1 ZINC000049421049 557107516 /nfs/dbraw/zinc/10/75/16/557107516.db2.gz FEPYSBSYGRMNNP-CYBMUJFWSA-N -1 1 428.533 3.922 50 0 IHAAMM COc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCCCN(C)c2ccccc2)cc1 ZINC000017827080 557124886 /nfs/dbraw/zinc/12/48/86/557124886.db2.gz IWEOWRBQZMKJJA-UHFFFAOYSA-N -1 1 425.558 3.649 50 0 IHAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3csc4nc(C)cc(=O)n34)c2)cc1 ZINC000011696323 557233227 /nfs/dbraw/zinc/23/32/27/557233227.db2.gz QOEPCROXXHDSEV-UHFFFAOYSA-N -1 1 439.518 3.735 50 0 IHAAMM O=C(NC1CCCC1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000027065113 557256185 /nfs/dbraw/zinc/25/61/85/557256185.db2.gz ZNZYRCHYZUVTMG-GOSISDBHSA-N -1 1 441.380 3.942 50 0 IHAAMM CCCCc1c(C)nc2[n-]c(N(Cc3cccc(OC)c3)C(=O)c3ccco3)nn2c1=O ZINC000101878656 557304551 /nfs/dbraw/zinc/30/45/51/557304551.db2.gz NHNUHOXWCHPYBS-UHFFFAOYSA-N -1 1 435.484 3.517 50 0 IHAAMM CCCCc1c(C)nc2[n-]c(N(Cc3ccc(OCC)cc3)C(=O)c3ccco3)nn2c1=O ZINC000101878689 557304674 /nfs/dbraw/zinc/30/46/74/557304674.db2.gz YFHNXKDNDCTJOJ-UHFFFAOYSA-N -1 1 449.511 3.907 50 0 IHAAMM CCN(CC)c1nc([O-])c(CC(=O)Nc2cccc(C(=O)Nc3ccc(F)cc3)c2)s1 ZINC000014202035 557317628 /nfs/dbraw/zinc/31/76/28/557317628.db2.gz UQFFSVSUPOWGCZ-GOSISDBHSA-N -1 1 442.516 3.746 50 0 IHAAMM Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(SCC(=O)NC(C)C)[n-]2)cc1 ZINC000011695912 557393388 /nfs/dbraw/zinc/39/33/88/557393388.db2.gz XSKLPBSAFZTCFJ-UHFFFAOYSA-N -1 1 429.567 3.835 50 0 IHAAMM CCc1c(C)nc(SCc2nc(-c3cc(OC)c(OC)c(OC)c3)oc2C)[n-]c1=O ZINC000045924819 557549793 /nfs/dbraw/zinc/54/97/93/557549793.db2.gz KSSJTLWVFDTEDY-UHFFFAOYSA-N -1 1 431.514 3.922 50 0 IHAAMM CCOc1ccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)Nc3ccccc3CC)n2)cc1 ZINC000015732637 568815730 /nfs/dbraw/zinc/81/57/30/568815730.db2.gz NHYNLFZGCGBIAN-UHFFFAOYSA-N -1 1 449.536 3.777 50 0 IHAAMM Cc1ccccc1-c1nc2scc(CC[N-]S(=O)(=O)c3cc(F)ccc3F)n2n1 ZINC000015783899 568826561 /nfs/dbraw/zinc/82/65/61/568826561.db2.gz CBFQGNRDFRBGIF-UHFFFAOYSA-N -1 1 434.493 3.565 50 0 IHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3sc(NC(=O)C(C)C)nc3c2)cc1OC ZINC000015870317 568851652 /nfs/dbraw/zinc/85/16/52/568851652.db2.gz LDOFRFZOSCCXRP-UHFFFAOYSA-N -1 1 435.527 3.709 50 0 IHAAMM O=S(=O)([N-]C[C@@H](c1cccs1)S(=O)(=O)c1ccccc1)c1cc(F)ccc1F ZINC000016689700 568938187 /nfs/dbraw/zinc/93/81/87/568938187.db2.gz YGILSENXZPATQK-SFHVURJKSA-N -1 1 443.518 3.520 50 0 IHAAMM O=C(NCc1ccccn1)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000064611658 568941463 /nfs/dbraw/zinc/94/14/63/568941463.db2.gz NBPNFDDAQGLCBP-QGZVFWFLSA-N -1 1 445.548 3.579 50 0 IHAAMM CCCNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)ccc21 ZINC000064861526 568973970 /nfs/dbraw/zinc/97/39/70/568973970.db2.gz WKHYAEGNWOWGGH-UHFFFAOYSA-N -1 1 427.448 3.988 50 0 IHAAMM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC(C)CC3)n(C)c2C)cc1Cl ZINC000064922381 568986053 /nfs/dbraw/zinc/98/60/53/568986053.db2.gz QROOZPMJAOTEQO-UHFFFAOYSA-N -1 1 439.965 3.668 50 0 IHAAMM CCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cc2C1=O ZINC000065241566 569118705 /nfs/dbraw/zinc/11/87/05/569118705.db2.gz WZLKYQGAPDOTNQ-UHFFFAOYSA-N -1 1 431.420 3.933 50 0 IHAAMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2C)cc1 ZINC000001077866 569176722 /nfs/dbraw/zinc/17/67/22/569176722.db2.gz NMCIMVXQNRVWLD-UHFFFAOYSA-N -1 1 438.505 3.763 50 0 IHAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccn(Cc4cccnc4)n3)c2)cc1 ZINC000078720203 569318591 /nfs/dbraw/zinc/31/85/91/569318591.db2.gz YSXFKKKLQFUBIQ-UHFFFAOYSA-N -1 1 447.520 3.688 50 0 IHAAMM COc1cc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)cc(OC)c1O ZINC000096117733 569384318 /nfs/dbraw/zinc/38/43/18/569384318.db2.gz DNDPYEHOIXWJFG-FZKQIMNGSA-N -1 1 433.530 3.915 50 0 IHAAMM COC(=O)C[C@H](c1cc2cccc3c2n(c1=O)CCC3)c1c([O-])ccc2c(C)cc(=O)oc21 ZINC000096220863 569386797 /nfs/dbraw/zinc/38/67/97/569386797.db2.gz VZYINRNNLUPWPI-GOSISDBHSA-N -1 1 445.471 3.763 50 0 biogenic IHAAMM Cc1ncsc1CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000003264252 569443347 /nfs/dbraw/zinc/44/33/47/569443347.db2.gz CAALPQNRALYGGG-UHFFFAOYSA-N -1 1 438.477 3.930 50 0 IHAAMM COc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1 ZINC000003369708 569448295 /nfs/dbraw/zinc/44/82/95/569448295.db2.gz AOZLALHMCNBYCQ-UHFFFAOYSA-N -1 1 432.448 3.704 50 0 IHAAMM Cc1ccc(NC(=O)[C@@H]2CCCO2)cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000008708455 569470654 /nfs/dbraw/zinc/47/06/54/569470654.db2.gz DAKGONIKNXCLMP-INIZCTEOSA-N -1 1 428.432 3.932 50 0 IHAAMM COc1ccc(C(=O)[N-]C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1 ZINC000008718636 569471352 /nfs/dbraw/zinc/47/13/52/569471352.db2.gz UPNXSXYNTGXHAD-UHFFFAOYSA-N -1 1 448.504 3.644 50 0 IHAAMM COc1ccc(CNC(=O)[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C(C)C)cc1 ZINC000008988190 569494881 /nfs/dbraw/zinc/49/48/81/569494881.db2.gz UBAVIMYNZVRULR-KRWDZBQOSA-N -1 1 445.368 3.621 50 0 IHAAMM CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c([O-])nc(O)n(-c2ccccc2Cl)c1=O ZINC000008994470 569495586 /nfs/dbraw/zinc/49/55/86/569495586.db2.gz HWVHYIZYMDYPJK-FQEVSTJZSA-N -1 1 436.899 3.746 50 0 IHAAMM CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(C)C)c2)cc1 ZINC000009094979 569501307 /nfs/dbraw/zinc/50/13/07/569501307.db2.gz HOAKOQZTEIAJBE-UHFFFAOYSA-N -1 1 440.587 3.650 50 0 IHAAMM CCN(CC)S(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)ccc1C ZINC000009120074 569503715 /nfs/dbraw/zinc/50/37/15/569503715.db2.gz UCBGWXKSIHCNAN-UHFFFAOYSA-N -1 1 432.567 3.980 50 0 IHAAMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(Br)c(C(F)(F)F)c3)ccc2N1 ZINC000009467420 569538393 /nfs/dbraw/zinc/53/83/93/569538393.db2.gz FFDGXYDBYYBPFC-UHFFFAOYSA-N -1 1 435.221 3.763 50 0 IHAAMM CN(Cc1cccs1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000009468206 569538623 /nfs/dbraw/zinc/53/86/23/569538623.db2.gz RFLGEVYOWACEJE-UHFFFAOYSA-N -1 1 444.534 3.592 50 0 IHAAMM COc1cccc(CNC(=O)COc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c2)c1 ZINC000009483627 569539548 /nfs/dbraw/zinc/53/95/48/569539548.db2.gz HUTPMBICSJAYER-UHFFFAOYSA-N -1 1 431.444 3.869 50 0 biogenic IHAAMM COc1cccc(CNC(=O)COc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c2)c1 ZINC000009483627 569539549 /nfs/dbraw/zinc/53/95/49/569539549.db2.gz HUTPMBICSJAYER-UHFFFAOYSA-N -1 1 431.444 3.869 50 0 biogenic IHAAMM O=S(=O)([N-]c1cccc(S(=O)(=O)NCc2ccco2)c1)c1ccc2ccccc2c1 ZINC000009631019 569553700 /nfs/dbraw/zinc/55/37/00/569553700.db2.gz BLFGHNKBAPFMRA-UHFFFAOYSA-N -1 1 442.518 3.712 50 0 IHAAMM COc1cc(C)ccc1OCCSc1nc(-c2cccc(F)c2)nc2cc(=O)[n-]n21 ZINC000009641076 569555550 /nfs/dbraw/zinc/55/55/50/569555550.db2.gz LSZKGAUWNBTXSZ-UHFFFAOYSA-N -1 1 426.473 3.712 50 0 IHAAMM CCOc1ccc2ccccc2c1C(=O)Nc1cc(C)nn1-c1nc2c(c(=O)[n-]1)CCC2 ZINC000009822559 569569516 /nfs/dbraw/zinc/56/95/16/569569516.db2.gz YZGMEUWAYMYEPT-UHFFFAOYSA-N -1 1 429.480 3.557 50 0 IHAAMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)c(C)c1 ZINC000071864268 569582554 /nfs/dbraw/zinc/58/25/54/569582554.db2.gz OWNVMWHTMVTYLZ-UHFFFAOYSA-N -1 1 436.493 3.526 50 0 IHAAMM CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)[O-])c2c[nH]c3cc(Br)ccc32)CC1 ZINC000012409761 518810563 /nfs/dbraw/zinc/81/05/63/518810563.db2.gz GSJHWSKIPKYSOE-MRXNPFEDSA-N -1 1 438.322 3.609 50 0 IHAAMM Cc1ccc(OC(=O)CSc2nc(-c3ccc(Cl)cc3)nc3cc(=O)[n-]n32)cc1 ZINC000041078210 525367775 /nfs/dbraw/zinc/36/77/75/525367775.db2.gz YZUCRRBCUAHJMT-UHFFFAOYSA-N -1 1 426.885 3.744 50 0 IHAAMM Cc1nc(-n2nc(C3CC3)cc2NC(=O)COc2ccc3ccccc3c2)[n-]c(=O)c1C ZINC000012127139 526626385 /nfs/dbraw/zinc/62/63/85/526626385.db2.gz LKBAZUDEYSZKQY-UHFFFAOYSA-N -1 1 429.480 3.621 50 0 IHAAMM CCCN(CCC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000986429 555594990 /nfs/dbraw/zinc/59/49/90/555594990.db2.gz GLBGAYRDLYGRIY-UHFFFAOYSA-N -1 1 430.979 3.952 50 0 IHAAMM COc1cc([C@@H]2NC(=O)c3c(F)cccc3N2)c(Br)c(Br)c1[O-] ZINC000001038010 555608679 /nfs/dbraw/zinc/60/86/79/555608679.db2.gz SIVYPHHJSTXHHO-AWEZNQCLSA-N -1 1 446.070 3.919 50 0 IHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1I ZINC000001051345 555613372 /nfs/dbraw/zinc/61/33/72/555613372.db2.gz LFELKYGIOMRUMU-UHFFFAOYSA-N -1 1 441.649 3.893 50 0 IHAAMM Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCOCC3)cc2)c1C ZINC000003635648 555942372 /nfs/dbraw/zinc/94/23/72/555942372.db2.gz LRCMZXKHTAFOQG-UHFFFAOYSA-N -1 1 430.570 3.874 50 0 IHAAMM O=C(N[C@@H]1CCc2ccccc21)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000032843581 556428695 /nfs/dbraw/zinc/42/86/95/556428695.db2.gz OFWYYGXBKFBCHV-HXUWFJFHSA-N -1 1 436.489 3.633 50 0 IHAAMM O=C(NCc1ccccc1)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000013073667 556454676 /nfs/dbraw/zinc/45/46/76/556454676.db2.gz IQWWSJSAXCFFRH-UHFFFAOYSA-N -1 1 438.505 3.579 50 0 IHAAMM O=C1N[C@H](c2ccccc2C(F)(F)F)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000013303348 556501923 /nfs/dbraw/zinc/50/19/23/556501923.db2.gz MWETWNSKBPIWLJ-CKEIUWERSA-N -1 1 432.320 3.809 50 0 IHAAMM CSc1nc(C)c(CCC(=O)N2CCc3cc(-c4csc(C)n4)ccc32)c(=O)[n-]1 ZINC000032882261 556509027 /nfs/dbraw/zinc/50/90/27/556509027.db2.gz LJVQYAFILMMZNO-UHFFFAOYSA-N -1 1 426.567 3.754 50 0 IHAAMM O=C(NCc1ccccn1)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000015434248 556527514 /nfs/dbraw/zinc/52/75/14/556527514.db2.gz PLLNTQJEGMFPAI-UHFFFAOYSA-N -1 1 446.326 3.575 50 0 IHAAMM CSc1cc(C(=O)c2ccccc2O)cn2c(=O)c3c(C)c(C(=O)[O-])sc3nc12 ZINC000016046046 556579853 /nfs/dbraw/zinc/57/98/53/556579853.db2.gz YWTRKAWCBIZLJX-UHFFFAOYSA-N -1 1 426.475 3.574 50 0 IHAAMM COC(=O)CCCNC(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1[O-] ZINC000032913879 556595324 /nfs/dbraw/zinc/59/53/24/556595324.db2.gz TUVOMPNBLFOHCZ-UHFFFAOYSA-N -1 1 425.268 3.634 50 0 IHAAMM CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2OC)s1 ZINC000033007907 556656906 /nfs/dbraw/zinc/65/69/06/556656906.db2.gz QRMCWKRUTXAKEN-UHFFFAOYSA-N -1 1 427.454 3.732 50 0 IHAAMM Cc1nnc(SCc2cc(=O)[n-]c(Nc3nc(C)c4cc(C)c(C)cc4n3)n2)s1 ZINC000018222651 556687646 /nfs/dbraw/zinc/68/76/46/556687646.db2.gz XCAXHTZYEUAAFV-UHFFFAOYSA-N -1 1 425.543 3.834 50 0 IHAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)CNC(=O)C3CCCCC3)c2)cc1C ZINC000033028423 556708913 /nfs/dbraw/zinc/70/89/13/556708913.db2.gz UBVWDTBSYOPOFC-UHFFFAOYSA-N -1 1 443.569 3.739 50 0 IHAAMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CC4)n3)ccc2C)cc1 ZINC000033086496 556857252 /nfs/dbraw/zinc/85/72/52/556857252.db2.gz QYJQJPCRMKWRKK-UHFFFAOYSA-N -1 1 427.482 3.900 50 0 IHAAMM COc1cccc(CSc2nc(CC(=O)NCc3ccccc3Cl)cc(=O)[n-]2)c1 ZINC000023138160 557018542 /nfs/dbraw/zinc/01/85/42/557018542.db2.gz PNUXXPABHBXIPB-UHFFFAOYSA-N -1 1 429.929 3.995 50 0 IHAAMM Cc1ccccc1CSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc(F)cc1)CC(=O)N2 ZINC000046074713 557030995 /nfs/dbraw/zinc/03/09/95/557030995.db2.gz LPTVJRYGMGPBLS-MRXNPFEDSA-N -1 1 438.484 3.574 50 0 IHAAMM CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)cc1 ZINC000046074833 557031076 /nfs/dbraw/zinc/03/10/76/557031076.db2.gz BVWTVELQGNLXAX-SFHVURJKSA-N -1 1 448.548 3.998 50 0 IHAAMM Cc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(SCc3ccccc3F)[n-]c(=O)c21 ZINC000046075246 557031495 /nfs/dbraw/zinc/03/14/95/557031495.db2.gz ZENUKFAPGYYCRL-AWEZNQCLSA-N -1 1 438.484 3.574 50 0 IHAAMM Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2cccc(C)c2)CC(=O)N3)cc1 ZINC000046074912 557031501 /nfs/dbraw/zinc/03/15/01/557031501.db2.gz KFSKREGGPJWPSA-KRWDZBQOSA-N -1 1 434.521 3.744 50 0 IHAAMM Cn1cnnc1Sc1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1 ZINC000022959184 557054771 /nfs/dbraw/zinc/05/47/71/557054771.db2.gz SIWBPYMDWZUBPK-UHFFFAOYSA-N -1 1 430.433 3.666 50 0 IHAAMM O=C(Nc1ccc2c(c1)OCCO2)c1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000000631454 557122705 /nfs/dbraw/zinc/12/27/05/557122705.db2.gz NTDIUQICOGIFBU-UHFFFAOYSA-N -1 1 428.441 3.650 50 0 IHAAMM O=C([O-])c1cccc(NS(=O)(=O)c2cc(Br)ccc2Br)c1 ZINC000001926331 557127339 /nfs/dbraw/zinc/12/73/39/557127339.db2.gz QHTYXIVSGALSCE-UHFFFAOYSA-N -1 1 435.093 3.711 50 0 IHAAMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc32)cc1 ZINC000011398386 557139981 /nfs/dbraw/zinc/13/99/81/557139981.db2.gz DWFKIYCLVXGMCC-UHFFFAOYSA-N -1 1 430.416 3.617 50 0 IHAAMM COc1ccc(NC(C)=O)cc1NC(=O)CCn1c(=S)[n-]nc1-c1cccc(C)c1 ZINC000011658399 557229646 /nfs/dbraw/zinc/22/96/46/557229646.db2.gz YZWZYVOTQGVVOZ-UHFFFAOYSA-N -1 1 425.514 3.912 50 0 IHAAMM COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)c1OC ZINC000018206243 557251772 /nfs/dbraw/zinc/25/17/72/557251772.db2.gz PXSJQVJGJHFENU-XPNTWCBSSA-N -1 1 430.460 3.755 50 0 IHAAMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc(OC)nn3)ccc2C)cc1 ZINC000011694200 557392958 /nfs/dbraw/zinc/39/29/58/557392958.db2.gz DBHKZMQSFSXVDQ-UHFFFAOYSA-N -1 1 426.498 3.610 50 0 IHAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3oc(C)c(C(=O)OCCOC)c3c2)cc1 ZINC000001803005 562924766 /nfs/dbraw/zinc/92/47/66/562924766.db2.gz PYAGPKDDPVXYHV-UHFFFAOYSA-N -1 1 433.482 3.744 50 0 IHAAMM COC(=O)CN[C@@H](c1ccccc1)c1cc(C)ccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000036370255 563093495 /nfs/dbraw/zinc/09/34/95/563093495.db2.gz HOLBRRUXRQUBRG-DEOSSOPVSA-N -1 1 438.549 3.956 50 0 IHAAMM O=C1NC(=Cc2cc(Cl)cc(I)c2[O-])C(=O)N1c1ccccc1 ZINC000001015733 568652188 /nfs/dbraw/zinc/65/21/88/568652188.db2.gz WWNAJYQLKHQMJN-QPEQYQDCSA-N -1 1 440.624 3.748 50 0 IHAAMM CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)cc(Cl)c1[O-] ZINC000003441048 568749575 /nfs/dbraw/zinc/74/95/75/568749575.db2.gz WULYVDXEESDJKI-UHFFFAOYSA-N -1 1 426.922 3.727 50 0 IHAAMM COc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c(OC)c1 ZINC000016635637 568926756 /nfs/dbraw/zinc/92/67/56/568926756.db2.gz HMXFPQCJTAFKBP-UHFFFAOYSA-N -1 1 430.457 3.896 50 0 IHAAMM CO[C@@H]1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)C1 ZINC000079013362 568930685 /nfs/dbraw/zinc/93/06/85/568930685.db2.gz MVTZTUZXJFKYEY-CQSZACIVSA-N -1 1 429.325 3.655 50 0 IHAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3C(=O)NC3CC3)c2)cc1 ZINC000026990884 568936845 /nfs/dbraw/zinc/93/68/45/568936845.db2.gz OFQGNUMFNFEXNB-UHFFFAOYSA-N -1 1 449.532 3.940 50 0 IHAAMM COc1ccc(CN(C(=O)c2ccc(Cl)cc2)c2nn3c([n-]2)nc(C)c(C)c3=O)cc1 ZINC000064791858 568959102 /nfs/dbraw/zinc/95/91/02/568959102.db2.gz LTUHCPJFACAMID-UHFFFAOYSA-N -1 1 437.887 3.543 50 0 IHAAMM Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccccc3F)c2oc1C(=O)N1CCOCC1 ZINC000065010782 569088307 /nfs/dbraw/zinc/08/83/07/569088307.db2.gz UUTACBAFLOPHBD-UHFFFAOYSA-N -1 1 446.500 3.770 50 0 IHAAMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)ccc2C)c1 ZINC000065318838 569134552 /nfs/dbraw/zinc/13/45/52/569134552.db2.gz POTXTNRXBHRXTK-UHFFFAOYSA-N -1 1 440.525 3.699 50 0 IHAAMM Cc1nnc(SCc2c(C)nc(Nc3nc(C)c4ccc(C)cc4n3)[n-]c2=O)s1 ZINC000017207159 569175992 /nfs/dbraw/zinc/17/59/92/569175992.db2.gz FOZZFUHBLNUYBS-UHFFFAOYSA-N -1 1 425.543 3.834 50 0 IHAAMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C3SCCCS3)c2)ccc1O ZINC000170642185 569185522 /nfs/dbraw/zinc/18/55/22/569185522.db2.gz PTIDZJOFXLSTSD-UHFFFAOYSA-N -1 1 425.553 3.848 50 0 IHAAMM CC(=O)Nc1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c1 ZINC000003363217 569448009 /nfs/dbraw/zinc/44/80/09/569448009.db2.gz RUKGCGZNZFOKML-UHFFFAOYSA-N -1 1 427.457 3.837 50 0 IHAAMM CC[C@H]1CCCCN1C(=O)CSc1nc2c(c(=O)[n-]1)CN(Cc1ccc(F)cc1)CC2 ZINC000067291520 569467640 /nfs/dbraw/zinc/46/76/40/569467640.db2.gz PQUAYDBACTZYDN-SFHVURJKSA-N -1 1 444.576 3.763 50 0 IHAAMM CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c([O-])nc(O)n(-c2cc(C)cc(C)c2)c1=O ZINC000009041470 569497582 /nfs/dbraw/zinc/49/75/82/569497582.db2.gz JLGWGMFMZNVPJY-QFIPXVFZSA-N -1 1 430.508 3.709 50 0 biogenic IHAAMM CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c([O-])nc(O)n(-c2ccc(C)c(C)c2)c1=O ZINC000009045912 569498154 /nfs/dbraw/zinc/49/81/54/569498154.db2.gz FRAJFTJKAZUDOB-QFIPXVFZSA-N -1 1 430.508 3.709 50 0 biogenic IHAAMM O=S(=O)([N-]c1ccc2c(c1)nc1n2CCN(CCc2ccccc2)C1)c1ccccc1 ZINC000009187276 569510314 /nfs/dbraw/zinc/51/03/14/569510314.db2.gz YDBFJEJKHQZBHV-UHFFFAOYSA-N -1 1 432.549 3.895 50 0 IHAAMM O=C(OCc1nnc(-c2ccccc2)o1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000009669396 569558041 /nfs/dbraw/zinc/55/80/41/569558041.db2.gz NEXHSTJRIXALME-UHFFFAOYSA-N -1 1 435.461 3.894 50 0 IHAAMM O=C(Cc1ccccc1)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009915513 569573397 /nfs/dbraw/zinc/57/33/97/569573397.db2.gz JZKYRACZXIAAPP-UHFFFAOYSA-N -1 1 438.505 3.830 50 0 IHAAMM COC(=O)C[C@@H](c1c(Cc2cc(F)c(F)cc2F)[n-][nH]c1=O)c1cccc2nccnc21 ZINC000096232026 193939077 /nfs/dbraw/zinc/93/90/77/193939077.db2.gz GMTCGHXUWOSKQB-CYBMUJFWSA-N -1 1 442.397 3.762 50 0 IHAAMM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)cc3c2N1CCC3 ZINC000009708651 132236862 /nfs/dbraw/zinc/23/68/62/132236862.db2.gz LLYGJEDTOVJTHQ-UHFFFAOYSA-N -1 1 426.416 3.611 50 0 IHAAMM C[C@@H](CCc1ccccc1)N1C(=O)[N-]C(=O)[C@@]2(Cc3c4ccccc4ccc3N(C)C2)C1=O ZINC000009429910 132316943 /nfs/dbraw/zinc/31/69/43/132316943.db2.gz KRCJJHLFCUIPFY-MYUZEXMDSA-N -1 1 441.531 3.918 50 0 IHAAMM CCCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc21 ZINC000012180612 520528116 /nfs/dbraw/zinc/52/81/16/520528116.db2.gz MRABRAUYQAJAOF-UHFFFAOYSA-N -1 1 446.953 3.772 50 0 IHAAMM CCCCNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000012521191 520696289 /nfs/dbraw/zinc/69/62/89/520696289.db2.gz QKYMTYASFKMCCF-UHFFFAOYSA-N -1 1 436.477 3.585 50 0 IHAAMM CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3ccc4c(c3)oc(=O)n4CC)cc2c1C ZINC000021156068 521607947 /nfs/dbraw/zinc/60/79/47/521607947.db2.gz BVJMQPUMBWBLIP-UHFFFAOYSA-N -1 1 444.465 3.647 50 0 IHAAMM COc1ccc(-c2cc(C(=O)[N-]c3c4ccccc4oc3C(=O)N3CCOCC3)no2)cc1 ZINC000020900576 523102176 /nfs/dbraw/zinc/10/21/76/523102176.db2.gz LTBACHCLMSLLSX-UHFFFAOYSA-N -1 1 447.447 3.821 50 0 IHAAMM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1OC ZINC000012548437 524636528 /nfs/dbraw/zinc/63/65/28/524636528.db2.gz SNKQKVBHUBFJLS-UHFFFAOYSA-N -1 1 430.457 3.896 50 0 IHAAMM CC(=O)N1CCOc2cc(S(=O)(=O)[N-]c3ccc(Br)c(C)c3)c(C)cc21 ZINC000009406969 534802614 /nfs/dbraw/zinc/80/26/14/534802614.db2.gz DUUUCBSYUDJYDP-UHFFFAOYSA-N -1 1 439.331 3.612 50 0 IHAAMM Cc1ccccc1OC(=O)CSc1nc(-c2ccc(Cl)cc2)nc2cc(=O)[n-]n21 ZINC000021885410 525277526 /nfs/dbraw/zinc/27/75/26/525277526.db2.gz JWGMQRZEFCPKJM-UHFFFAOYSA-N -1 1 426.885 3.744 50 0 IHAAMM Cc1c(C(=O)N(C)CCOc2ccccc2F)sc2[n-]c(-c3ccco3)nc(=O)c12 ZINC000012933533 525556656 /nfs/dbraw/zinc/55/66/56/525556656.db2.gz JIUPWLGDXQHJEK-UHFFFAOYSA-N -1 1 427.457 3.843 50 0 IHAAMM O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)[N-]C(=O)c1ccco1 ZINC000012719283 526918032 /nfs/dbraw/zinc/91/80/32/526918032.db2.gz SNBPAKSOQHNPMB-UHFFFAOYSA-N -1 1 449.850 3.899 50 0 IHAAMM Cn1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(SC(F)F)cc3)c2)cn1 ZINC000020900733 527173410 /nfs/dbraw/zinc/17/34/10/527173410.db2.gz QJPFEHKPVLOPSI-UHFFFAOYSA-N -1 1 438.481 3.788 50 0 IHAAMM CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000009367452 555564759 /nfs/dbraw/zinc/56/47/59/555564759.db2.gz FCHOXNXAOKKDGD-UHFFFAOYSA-N -1 1 438.505 3.531 50 0 IHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1C ZINC000001145685 555653264 /nfs/dbraw/zinc/65/32/64/555653264.db2.gz DCNGTOIWDUHKLK-UHFFFAOYSA-N -1 1 446.550 3.914 50 0 IHAAMM Cc1ccc(NC(=O)Cc2cn3ccsc3n2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000008745051 556208803 /nfs/dbraw/zinc/20/88/03/556208803.db2.gz HJQCOTCUXIEXIA-UHFFFAOYSA-N -1 1 444.513 3.825 50 0 IHAAMM O=C1[N-]C(=O)C(CCc2ccncc2)(CCc2ccncc2)C(=O)N1CCC1=CCCCC1 ZINC000008934973 556235438 /nfs/dbraw/zinc/23/54/38/556235438.db2.gz AAOMDFGCHMRHNN-UHFFFAOYSA-N -1 1 446.551 3.997 50 0 IHAAMM CCc1cc2c(COC(=O)CCc3c(C)nc(SC)nc3C)cc(=O)oc2cc1[O-] ZINC000032743308 556304060 /nfs/dbraw/zinc/30/40/60/556304060.db2.gz OJGPYRJPEQCWRZ-UHFFFAOYSA-N -1 1 428.510 3.866 50 0 IHAAMM Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(=O)[n-]2)cc1 ZINC000009969927 556319151 /nfs/dbraw/zinc/31/91/51/556319151.db2.gz VNGWKGDYQXLRLA-UHFFFAOYSA-N -1 1 449.941 3.708 50 0 IHAAMM O=C(c1cc(Br)ccc1[O-])N1CCN(Cc2csc(-c3ccco3)n2)CC1 ZINC000029326067 556472411 /nfs/dbraw/zinc/47/24/11/556472411.db2.gz GHBSBCRWRBOMFZ-UHFFFAOYSA-N -1 1 448.342 3.829 50 0 IHAAMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1)c1ccc2n[nH]nc2c1 ZINC000030121561 556490596 /nfs/dbraw/zinc/49/05/96/556490596.db2.gz VXCMYXGCZFDBPP-UHFFFAOYSA-N -1 1 427.873 3.664 50 0 IHAAMM COc1ccc2nc(Sc3ccccc3)c(C=C3C(=O)[N-]C(=S)N3C(C)=O)cc2c1 ZINC000031833868 556526839 /nfs/dbraw/zinc/52/68/39/556526839.db2.gz HNNGDTJJAMTTKO-UNOMPAQXSA-N -1 1 435.530 3.999 50 0 IHAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)cc1 ZINC000032902403 556536097 /nfs/dbraw/zinc/53/60/97/556536097.db2.gz VDGMBCMUCUABPN-UHFFFAOYSA-N -1 1 449.532 3.940 50 0 IHAAMM Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)N1CCN(c2nsc3ccccc32)CC1 ZINC000013624747 556536746 /nfs/dbraw/zinc/53/67/46/556536746.db2.gz IPWFMEJMJUFQLF-UHFFFAOYSA-N -1 1 449.532 3.698 50 0 IHAAMM COc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[n-]c(=O)c32)ccc1O ZINC000016976468 556652094 /nfs/dbraw/zinc/65/20/94/556652094.db2.gz DMBQUZYODGZJON-AWEZNQCLSA-N -1 1 443.912 3.904 50 0 IHAAMM CCOc1ccc(-c2n[n-]c(=S)n2CC(=O)NCCCc2nc3ccccc3[nH]2)cc1 ZINC000011759179 556653695 /nfs/dbraw/zinc/65/36/95/556653695.db2.gz LCYHXUDUIARQDX-UHFFFAOYSA-N -1 1 436.541 3.632 50 0 IHAAMM CCCS(=O)(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2C1 ZINC000008840454 556849781 /nfs/dbraw/zinc/84/97/81/556849781.db2.gz GPAPVGBSFPQJLU-UHFFFAOYSA-N -1 1 444.578 3.739 50 0 IHAAMM O=C(Nc1ccccc1Cl)[C@H]1CC(=O)Nc2nc(SCc3ccccc3)[n-]c(=O)c21 ZINC000046074545 557030668 /nfs/dbraw/zinc/03/06/68/557030668.db2.gz YNQAWSDIJKOGMJ-ZDUSSCGKSA-N -1 1 440.912 3.780 50 0 IHAAMM O=C(Nc1ccccc1)[C@@H]1CC(=O)Nc2nc(SCc3ccccc3Cl)[n-]c(=O)c21 ZINC000046075005 557031520 /nfs/dbraw/zinc/03/15/20/557031520.db2.gz LLGQZJQPFWIJNG-CQSZACIVSA-N -1 1 440.912 3.780 50 0 IHAAMM COc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)ccc2OC)cc1 ZINC000024754102 557162948 /nfs/dbraw/zinc/16/29/48/557162948.db2.gz IRGBDYXWUXOOEU-UHFFFAOYSA-N -1 1 447.534 3.575 50 0 IHAAMM Cc1nn(C)c2ncc(NC(=O)CCc3c(C)nc(SCc4ccccc4)[n-]c3=O)cc12 ZINC000069950351 557232578 /nfs/dbraw/zinc/23/25/78/557232578.db2.gz QMWSSPJJFOPACC-UHFFFAOYSA-N -1 1 448.552 3.532 50 0 IHAAMM Cn1c2ccc(S(=O)(=O)[N-]c3cccc(OCc4ccc(F)cc4)c3)cc2oc1=O ZINC000026543984 557244466 /nfs/dbraw/zinc/24/44/66/557244466.db2.gz WILGLOPMSLCDIH-UHFFFAOYSA-N -1 1 428.441 3.650 50 0 IHAAMM COc1ccc(CNC(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)c2nnn[n-]2)cc1 ZINC000027562013 557265469 /nfs/dbraw/zinc/26/54/69/557265469.db2.gz JXARTQRSRRNOFJ-LDADJPATSA-N -1 1 435.871 3.979 50 0 IHAAMM COc1ccc(CNC(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)c2nn[n-]n2)cc1 ZINC000027562013 557265476 /nfs/dbraw/zinc/26/54/76/557265476.db2.gz JXARTQRSRRNOFJ-LDADJPATSA-N -1 1 435.871 3.979 50 0 IHAAMM CCCCn1c([O-])c(C2=NN(C(=O)CC)[C@H](c3ccccc3OC)C2)c(=O)[nH]c1=S ZINC000101495638 557289126 /nfs/dbraw/zinc/28/91/26/557289126.db2.gz ZLURRQWQQKGBKE-HNNXBMFYSA-N -1 1 430.530 3.508 50 0 IHAAMM Cc1ccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2C)cc1F ZINC000101628048 557293020 /nfs/dbraw/zinc/29/30/20/557293020.db2.gz YZKLHHYFAPKJPA-OALUTQOASA-N -1 1 444.528 3.919 50 0 IHAAMM CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000102743883 557377118 /nfs/dbraw/zinc/37/71/18/557377118.db2.gz UIBYGIRRCNPPCR-DNVJHFABSA-N -1 1 430.460 3.842 50 0 IHAAMM O=C1NC(=Cc2cc(Cl)cc(I)c2[O-])C(=O)N1c1ccccc1 ZINC000108830122 557543815 /nfs/dbraw/zinc/54/38/15/557543815.db2.gz WWNAJYQLKHQMJN-NTUHNPAUSA-N -1 1 440.624 3.748 50 0 IHAAMM Cc1csc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)N(C)C)cc3)cc2F)n1 ZINC000241965625 557847314 /nfs/dbraw/zinc/84/73/14/557847314.db2.gz UUMMQLLSWYCUNT-UHFFFAOYSA-N -1 1 435.502 3.886 50 0 IHAAMM O=C(Cc1sc(N2CCCCC2)nc1[O-])Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000012949662 562983578 /nfs/dbraw/zinc/98/35/78/562983578.db2.gz GSEZFYXNOYYMHZ-LJQANCHMSA-N -1 1 436.537 3.751 50 0 IHAAMM CCOc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)ccc1OC ZINC000086056938 568642162 /nfs/dbraw/zinc/64/21/62/568642162.db2.gz FMOLRNWTHVMGPZ-INIZCTEOSA-N -1 1 437.521 3.944 50 0 IHAAMM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C(=O)NC2CCCCC2)c1 ZINC000000969366 568647213 /nfs/dbraw/zinc/64/72/13/568647213.db2.gz OFUNKQDKYJGOAN-UHFFFAOYSA-N -1 1 429.498 3.594 50 0 IHAAMM O=C(Oc1ccccc1)n1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc21 ZINC000001084289 568657509 /nfs/dbraw/zinc/65/75/09/568657509.db2.gz BAWIWBCOIYJIMA-UHFFFAOYSA-N -1 1 428.397 3.582 50 0 IHAAMM CCN(C(=O)CSc1nc(-c2ccc(OC)cc2)nc2cc(=O)[n-]n21)c1cccc(C)c1 ZINC000015732576 568815528 /nfs/dbraw/zinc/81/55/28/568815528.db2.gz MVUWFTJMQVORJD-UHFFFAOYSA-N -1 1 449.536 3.547 50 0 IHAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)c1 ZINC000016100964 568870543 /nfs/dbraw/zinc/87/05/43/568870543.db2.gz OBBXYIPFFXPXEP-UHFFFAOYSA-N -1 1 444.578 3.925 50 0 IHAAMM CCN1c2ncccc2Oc2ccc(S(=O)(=O)[N-]c3cc(F)cc(F)c3)cc2C1=O ZINC000065241572 569118925 /nfs/dbraw/zinc/11/89/25/569118925.db2.gz LWNFGYKRMHZAPK-UHFFFAOYSA-N -1 1 431.420 3.933 50 0 IHAAMM Cc1ccc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000065318876 569134517 /nfs/dbraw/zinc/13/45/17/569134517.db2.gz WIAQYARKHXJHOF-UHFFFAOYSA-N -1 1 444.488 3.529 50 0 IHAAMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000170636970 569178318 /nfs/dbraw/zinc/17/83/18/569178318.db2.gz TVVXSNKXYHGULA-ZCNNSNEGSA-N -1 1 432.517 3.512 50 0 IHAAMM CCC[C@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nn[n-]n1 ZINC000079051486 569323313 /nfs/dbraw/zinc/32/33/13/569323313.db2.gz ZVYSMJFBCXTKEJ-IBGZPJMESA-N -1 1 435.919 3.906 50 0 IHAAMM CCOC(=O)[C@@]([N-]c1ccc(C(C)=O)cc1)(NC(=O)c1ccc(OC)cc1)C(F)(F)F ZINC000020032608 569332523 /nfs/dbraw/zinc/33/25/23/569332523.db2.gz PFDJULLDFODCAA-HXUWFJFHSA-N -1 1 438.402 3.561 50 0 IHAAMM COc1cc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)cc2c1OCCO2 ZINC000096116695 569383825 /nfs/dbraw/zinc/38/38/25/569383825.db2.gz HQCVEUCMFQVRRG-IFXJQAMLSA-N -1 1 445.541 3.972 50 0 IHAAMM COc1ccc(S(=O)(=O)[N-]c2ccccc2S(=O)(=O)Nc2ccccc2)cc1C ZINC000096998224 569402809 /nfs/dbraw/zinc/40/28/09/569402809.db2.gz QMZIDRKKONKZQZ-UHFFFAOYSA-N -1 1 432.523 3.605 50 0 IHAAMM O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000008824858 569477241 /nfs/dbraw/zinc/47/72/41/569477241.db2.gz URCREVXRIPGVJR-UHFFFAOYSA-N -1 1 444.463 3.795 50 0 IHAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCCOCc3ccco3)c2)cc1 ZINC000040017839 569482625 /nfs/dbraw/zinc/48/26/25/569482625.db2.gz PSPOWCGGICXQGU-UHFFFAOYSA-N -1 1 428.510 3.726 50 0 IHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)c2ccccc2)CC3)cc1F ZINC000008977474 569493038 /nfs/dbraw/zinc/49/30/38/569493038.db2.gz HIZVUUFGQWNDSU-UHFFFAOYSA-N -1 1 440.496 3.834 50 0 IHAAMM CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000009083396 569500544 /nfs/dbraw/zinc/50/05/44/569500544.db2.gz ZAXSAFPXTFHYIW-UHFFFAOYSA-N -1 1 446.532 3.945 50 0 IHAAMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CC)cc1 ZINC000009166440 569508917 /nfs/dbraw/zinc/50/89/17/569508917.db2.gz ZNDGVSWPCKXSBX-UHFFFAOYSA-N -1 1 445.541 3.607 50 0 IHAAMM CCCN1c2ccc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)cc2OCC(C)(C)C1=O ZINC000009167380 569509040 /nfs/dbraw/zinc/50/90/40/569509040.db2.gz ALOSYNYNZZDTHG-UHFFFAOYSA-N -1 1 445.541 3.607 50 0 IHAAMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)Nc1nc2ccccc2s1 ZINC000009252883 569516099 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448.610 3.859 50 0 IHAAMM COc1ccc2nc(Nc3nc(CSc4nc5ccccc5[nH]4)cc(=O)[n-]3)nc(C)c2c1 ZINC000015987756 568862044 /nfs/dbraw/zinc/86/20/44/568862044.db2.gz XWSYQZVZZMFGFW-UHFFFAOYSA-N -1 1 445.508 3.942 50 0 IHAAMM C[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000002105775 568924929 /nfs/dbraw/zinc/92/49/29/568924929.db2.gz NESXMZAOHRXWFC-CYBMUJFWSA-N -1 1 425.437 3.984 50 0 IHAAMM C[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000002105775 568924930 /nfs/dbraw/zinc/92/49/30/568924930.db2.gz NESXMZAOHRXWFC-CYBMUJFWSA-N -1 1 425.437 3.984 50 0 IHAAMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(Br)c(C)c3)cc2n(CC)c1=O ZINC000064775629 568954705 /nfs/dbraw/zinc/95/47/05/568954705.db2.gz MQHIDUUCYFKNEK-UHFFFAOYSA-N -1 1 438.347 3.715 50 0 IHAAMM COc1ccc(CN(C(=O)c2ccccc2Cl)c2nn3c([n-]2)nc(C)c(C)c3=O)cc1 ZINC000064791864 568959123 /nfs/dbraw/zinc/95/91/23/568959123.db2.gz DETSLZTWUKQCCX-UHFFFAOYSA-N -1 1 437.887 3.543 50 0 IHAAMM CCCNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc(Br)c3)ccc21 ZINC000064861931 568973981 /nfs/dbraw/zinc/97/39/81/568973981.db2.gz LGAGZYXENWHZJX-UHFFFAOYSA-N -1 1 438.347 3.732 50 0 IHAAMM C[C@@H]1C[C@H](C)C[N@@H+]([C@H](C(=O)[O-])c2cn(CCC(=O)[O-])c3cc(Br)ccc23)C1 ZINC000036360455 569086438 /nfs/dbraw/zinc/08/64/38/569086438.db2.gz MZXHLOZBLINGGU-QUJCMNEKSA-N -1 1 437.334 3.982 50 0 IHAAMM O=S(=O)([N-]c1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1ccccc1Cl ZINC000013009994 569306687 /nfs/dbraw/zinc/30/66/87/569306687.db2.gz FECQMRFUURJMIZ-UHFFFAOYSA-N -1 1 426.889 3.860 50 0 IHAAMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCCCC[C@H]1CC(=O)c1ccccc1 ZINC000079045208 569323132 /nfs/dbraw/zinc/32/31/32/569323132.db2.gz XOYWSKZHRRTAAP-NRFANRHFSA-N -1 1 444.535 3.727 50 0 IHAAMM O=C(NCc1cccc(CO)c1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000079066896 569324252 /nfs/dbraw/zinc/32/42/52/569324252.db2.gz BERKAMUUKDHDBC-UHFFFAOYSA-N -1 1 448.903 3.702 50 0 IHAAMM O=C([O-])[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3csc(-c4ccccc4)c3)cc2)C1 ZINC000095459693 569369489 /nfs/dbraw/zinc/36/94/89/569369489.db2.gz WTNKDDBKHDMYNG-OAHLLOKOSA-N -1 1 442.518 3.653 50 0 IHAAMM CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)c3cc(Br)ccc3[O-])C2)C1 ZINC000095943413 569375672 /nfs/dbraw/zinc/37/56/72/569375672.db2.gz PHWMCRHVSSYRAZ-IBGZPJMESA-N -1 1 425.323 3.628 50 0 IHAAMM O=c1cc2c(c3oc(-c4ccccc4)cc([O-])c1-3)[C@H](c1cnn3cccnc13)CC(=O)O2 ZINC000096115713 569383404 /nfs/dbraw/zinc/38/34/04/569383404.db2.gz SGQHNJWAHJFAPT-AWEZNQCLSA-N -1 1 425.400 3.649 50 0 biogenic IHAAMM COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)cc2c1OCCO2 ZINC000096116693 569383746 /nfs/dbraw/zinc/38/37/46/569383746.db2.gz HQCVEUCMFQVRRG-LIRRHRJNSA-N -1 1 445.541 3.972 50 0 IHAAMM COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)cc(OC)c1O ZINC000096117731 569384255 /nfs/dbraw/zinc/38/42/55/569384255.db2.gz DNDPYEHOIXWJFG-ACJLOTCBSA-N -1 1 433.530 3.915 50 0 IHAAMM COc1cc2nc(S[C@H](C)C(=O)[O-])n3c(CC4CCCCC4)c(O)nc3c2cc1OC ZINC000002505791 569406338 /nfs/dbraw/zinc/40/63/38/569406338.db2.gz KYRYBTBAMFNFBZ-WBMJQRKESA-N -1 1 445.541 3.839 50 0 IHAAMM COc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 ZINC000002655243 569415409 /nfs/dbraw/zinc/41/54/09/569415409.db2.gz CUVACGJGOFUUGV-UHFFFAOYSA-N -1 1 439.493 3.707 50 0 IHAAMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C)c1ccc(Br)cc1 ZINC000058049075 569445956 /nfs/dbraw/zinc/44/59/56/569445956.db2.gz MHMMDBMUVREQPG-HNNXBMFYSA-N -1 1 432.723 3.604 50 0 IHAAMM CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c([O-])nc(O)n(-c2ccccc2Cl)c1=O ZINC000008994471 569495592 /nfs/dbraw/zinc/49/55/92/569495592.db2.gz HWVHYIZYMDYPJK-HXUWFJFHSA-N -1 1 436.899 3.746 50 0 IHAAMM Cc1cnc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)cn1 ZINC000009203425 569511277 /nfs/dbraw/zinc/51/12/77/569511277.db2.gz BDTOSAIEDIBELA-UHFFFAOYSA-N -1 1 436.415 3.857 50 0 IHAAMM COc1cc(-c2nc3c(c(=O)[n-]2)Cc2cc(Br)ccc2O3)cc(OC)c1OC ZINC000009290395 569519742 /nfs/dbraw/zinc/51/97/42/569519742.db2.gz YLTJKSQTJSUFCY-UHFFFAOYSA-N -1 1 445.269 3.922 50 0 IHAAMM COc1ccc(CCNC(=O)c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)cc1 ZINC000009352270 569524846 /nfs/dbraw/zinc/52/48/46/569524846.db2.gz VORWMNQPXSJYIU-UHFFFAOYSA-N -1 1 446.475 3.747 50 0 IHAAMM O=C(CSc1nc(-c2cccc(Cl)c2)nc2cc(=O)[n-]n21)Nc1ccccc1F ZINC000009641466 569555656 /nfs/dbraw/zinc/55/56/56/569555656.db2.gz PQXSYHJWVZNEEN-UHFFFAOYSA-N -1 1 429.864 3.608 50 0 IHAAMM NC(=O)c1ccsc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000009714974 569562942 /nfs/dbraw/zinc/56/29/42/569562942.db2.gz VBHAYNVKAQCGJA-UHFFFAOYSA-N -1 1 435.914 3.554 50 0 IHAAMM CCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)c2c(C)onc2-c2ccccc2Cl)n1 ZINC000009822195 569569522 /nfs/dbraw/zinc/56/95/22/569569522.db2.gz LRKFYFSBXFLBGT-UHFFFAOYSA-N -1 1 438.875 3.696 50 0 IHAAMM Cc1nnc2ccc(-c3ccc([N-]S(=O)(=O)c4cccc(C(F)(F)F)c4)cc3)nn12 ZINC000009829207 569569978 /nfs/dbraw/zinc/56/99/78/569569978.db2.gz ASUVADZFUSDZGP-UHFFFAOYSA-N -1 1 433.415 3.919 50 0 IHAAMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000010446611 569582270 /nfs/dbraw/zinc/58/22/70/569582270.db2.gz FNVGDORMXCDDFR-UHFFFAOYSA-N -1 1 441.582 3.937 50 0 IHAAMM Cc1cc(C(=O)N2CCN(c3ccccc3)CC2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000013681406 132353337 /nfs/dbraw/zinc/35/33/37/132353337.db2.gz SEQBSXPZSSOHCM-UHFFFAOYSA-N -1 1 435.549 3.758 50 0 IHAAMM CCOC(=O)C1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2ccccc2Cl)CC1 ZINC000022626266 520583092 /nfs/dbraw/zinc/58/30/92/520583092.db2.gz WOEPRGFBQGIBMB-INIZCTEOSA-N -1 1 434.949 3.823 50 0 IHAAMM CC[C@@H](C)NC(=O)CSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1 ZINC000012112466 522170322 /nfs/dbraw/zinc/17/03/22/522170322.db2.gz XXWAEBRNCLDWHG-OAHLLOKOSA-N -1 1 429.567 3.916 50 0 IHAAMM Cc1cc2c(C)cc(=O)[nH]c2c(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(Cl)c2)c1 ZINC000012446763 525587612 /nfs/dbraw/zinc/58/76/12/525587612.db2.gz IHBZWGKVFIATCI-UHFFFAOYSA-N -1 1 428.901 3.785 50 0 biogenic,in-vitro IHAAMM Cn1cc(-c2ccccc2CNC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cn1 ZINC000089756590 527135011 /nfs/dbraw/zinc/13/50/11/527135011.db2.gz DXCXVCPGHMDKDO-UHFFFAOYSA-N -1 1 446.532 3.818 50 0 IHAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)[C@@H]1COc2ccccc2O1 ZINC000012548512 527234212 /nfs/dbraw/zinc/23/42/12/527234212.db2.gz PVMXAOIGOFNEGG-FQEVSTJZSA-N -1 1 446.431 3.544 50 0 IHAAMM O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1 ZINC000012740006 527451141 /nfs/dbraw/zinc/45/11/41/527451141.db2.gz KDYFOQYLVMWMKY-UHFFFAOYSA-N -1 1 436.320 3.829 50 0 IHAAMM O=C(NC1CCC(O)CC1)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000033028107 527501289 /nfs/dbraw/zinc/50/12/89/527501289.db2.gz VRGNUDDQYHTDIH-UHFFFAOYSA-N -1 1 442.459 3.540 50 0 IHAAMM O=C(NCC(F)(F)F)c1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000012508041 527554451 /nfs/dbraw/zinc/55/44/51/527554451.db2.gz LTIPHMMQRAIJDM-UHFFFAOYSA-N -1 1 426.338 3.798 50 0 IHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1 ZINC000001147470 555654420 /nfs/dbraw/zinc/65/44/20/555654420.db2.gz LSAOBHAIROZONO-UHFFFAOYSA-N -1 1 446.550 3.914 50 0 IHAAMM Cc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000009909001 556316224 /nfs/dbraw/zinc/31/62/24/556316224.db2.gz SJORDMJDMOEXCL-UHFFFAOYSA-N -1 1 449.941 3.708 50 0 IHAAMM CCc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)cc1 ZINC000013949186 556344099 /nfs/dbraw/zinc/34/40/99/556344099.db2.gz RUWBFJZXXNFKJE-IAGOWNOFSA-N -1 1 436.599 3.716 50 0 IHAAMM Cc1ccc(C(=O)CCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2[O-])cc1C ZINC000032855823 556433162 /nfs/dbraw/zinc/43/31/62/556433162.db2.gz NBMAQZBNUUXUND-UHFFFAOYSA-N -1 1 444.553 3.785 50 0 IHAAMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc4c(c3)OC3(CCCCC3)O4)ccc21 ZINC000028791234 556461094 /nfs/dbraw/zinc/46/10/94/556461094.db2.gz BCPFAVAEDZCVLB-UHFFFAOYSA-N -1 1 428.510 3.828 50 0 IHAAMM Cc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000015269449 556514018 /nfs/dbraw/zinc/51/40/18/556514018.db2.gz GIOKWDDRLLWYOQ-UHFFFAOYSA-N -1 1 442.468 3.958 50 0 IHAAMM Cc1c(CC(=O)NCCc2c[nH]c3ccc(Cl)cc23)c(=O)oc2cc(O)cc([O-])c12 ZINC000013609229 556534143 /nfs/dbraw/zinc/53/41/43/556534143.db2.gz MXYHBHQZWROMFB-UHFFFAOYSA-N -1 1 426.856 3.549 50 0 IHAAMM Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000013628110 556537958 /nfs/dbraw/zinc/53/79/58/556537958.db2.gz SGLKNPNFKDNYJC-UHFFFAOYSA-N -1 1 427.884 3.513 50 0 IHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC[C@H]4CCCO4)CC3)cc2)cc1Cl ZINC000033115330 556554975 /nfs/dbraw/zinc/55/49/75/556554975.db2.gz WWJIQNNMGVQEFP-GOSISDBHSA-N -1 1 448.972 3.776 50 0 IHAAMM O=S(=O)([N-]c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc2ccccc2c1 ZINC000015910995 556562754 /nfs/dbraw/zinc/56/27/54/556562754.db2.gz ISPYWHYYWVTFOA-UHFFFAOYSA-N -1 1 430.551 3.815 50 0 IHAAMM COc1ccc(C(=O)[N-]C(=O)COC(=O)CCc2ccc(-c3ccccc3F)o2)cc1 ZINC000016320422 556600283 /nfs/dbraw/zinc/60/02/83/556600283.db2.gz IKSQWSAXFDKITD-UHFFFAOYSA-N -1 1 425.412 3.527 50 0 IHAAMM Cc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)cc3C)c(=O)[n-]2)c1 ZINC000016840126 556645484 /nfs/dbraw/zinc/64/54/84/556645484.db2.gz YAAMTTDSWKCTMN-UHFFFAOYSA-N -1 1 443.550 3.671 50 0 IHAAMM COc1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc2sc(NC(C)=O)nc21 ZINC000033007935 556656725 /nfs/dbraw/zinc/65/67/25/556656725.db2.gz HFWYLJMFFFYQOZ-UHFFFAOYSA-N -1 1 429.882 3.857 50 0 IHAAMM Cc1ccc(CSCC(=O)Nn2c(=O)c3c4c(sc3[n-]c2=S)CCCC4)cc1 ZINC000017097685 556662026 /nfs/dbraw/zinc/66/20/26/556662026.db2.gz ORBMUWLGRKXQGL-UHFFFAOYSA-N -1 1 431.608 3.937 50 0 IHAAMM COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000137646515 556697837 /nfs/dbraw/zinc/69/78/37/556697837.db2.gz UELMKLYKBHWQJF-YTFSRNRJSA-N -1 1 430.460 3.760 50 0 IHAAMM CCC(=O)Nc1ccc(N2CCN(CCOc3ccc(Cl)cc3)CC2)c(C(=O)[O-])c1 ZINC000033078673 556853738 /nfs/dbraw/zinc/85/37/38/556853738.db2.gz KKXRSCFRUXHTJH-UHFFFAOYSA-N -1 1 431.920 3.588 50 0 IHAAMM Cc1nc(S[C@H](C)c2ccccc2)[n-]c(=O)c1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000023138670 557022044 /nfs/dbraw/zinc/02/20/44/557022044.db2.gz XDMGKNLEHNFDCK-OAHLLOKOSA-N -1 1 437.521 3.519 50 0 IHAAMM CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)cc1 ZINC000046074598 557030710 /nfs/dbraw/zinc/03/07/10/557030710.db2.gz WSQCRVGBEPBPOZ-QGZVFWFLSA-N -1 1 434.521 3.689 50 0 IHAAMM CNC(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4ccc(F)cc4)ccc3n2C)cc1 ZINC000033276980 557057825 /nfs/dbraw/zinc/05/78/25/557057825.db2.gz HEHVOULPQZUMTQ-UHFFFAOYSA-N -1 1 438.484 3.540 50 0 IHAAMM CNC(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4ccccc4C)ccc3n2C)cc1 ZINC000033276990 557057926 /nfs/dbraw/zinc/05/79/26/557057926.db2.gz UYEBHWRKPBVBNV-UHFFFAOYSA-N -1 1 434.521 3.709 50 0 IHAAMM O=C(NCc1ccncc1)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421211 557107745 /nfs/dbraw/zinc/10/77/45/557107745.db2.gz ZCWBQRXUQZNNPN-GOSISDBHSA-N -1 1 445.548 3.579 50 0 IHAAMM COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000017781389 557122157 /nfs/dbraw/zinc/12/21/57/557122157.db2.gz VZAFSPQRRKUHIT-ZRBLBEILSA-N -1 1 430.460 3.760 50 0 IHAAMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)OCC(=O)N(C(C)C)C(C)C)ccc2C)cc1 ZINC000011444278 557148412 /nfs/dbraw/zinc/14/84/12/557148412.db2.gz BBKFYIUHNWJDPP-UHFFFAOYSA-N -1 1 446.569 3.906 50 0 IHAAMM CCc1nnsc1C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-] ZINC000024830507 557170246 /nfs/dbraw/zinc/17/02/46/557170246.db2.gz ZCORCXDDANOYFJ-UHFFFAOYSA-N -1 1 438.918 3.513 50 0 IHAAMM Cc1nc2scc(-c3cccc([N-]S(=O)(=O)c4ccc(F)cc4)c3)n2c(=O)c1C ZINC000011696659 557233294 /nfs/dbraw/zinc/23/32/94/557233294.db2.gz VDSAOZNQZXQMJE-UHFFFAOYSA-N -1 1 429.498 3.980 50 0 IHAAMM COc1ccc(OC)c([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000018177049 557245931 /nfs/dbraw/zinc/24/59/31/557245931.db2.gz BXPASGIBSLOURW-ZLNRFVROSA-N -1 1 430.460 3.755 50 0 IHAAMM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000101112607 557256242 /nfs/dbraw/zinc/25/62/42/557256242.db2.gz UIBYGIRRCNPPCR-ZRBLBEILSA-N -1 1 430.460 3.842 50 0 IHAAMM CC(C)c1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(-c4cccc(Cl)c4)c3[O-])=NN2C)cc1 ZINC000101767475 557295906 /nfs/dbraw/zinc/29/59/06/557295906.db2.gz SHYSLHZGGTWPIT-IBGZPJMESA-N -1 1 438.915 3.789 50 0 IHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(F)c(C(N)=O)c3)cc2)cc1C ZINC000033063367 557323419 /nfs/dbraw/zinc/32/34/19/557323419.db2.gz WZVUTGILYQVQHD-UHFFFAOYSA-N -1 1 441.484 3.595 50 0 IHAAMM CCCNC(=O)CSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1 ZINC000011695905 557393572 /nfs/dbraw/zinc/39/35/72/557393572.db2.gz NLLCNCRIAXYJAP-UHFFFAOYSA-N -1 1 429.567 3.836 50 0 IHAAMM N=C1Nc2nc3ccccc3n2[C@@H](c2cc(Br)c([O-])c(Br)c2)N1 ZINC000038185887 557563500 /nfs/dbraw/zinc/56/35/00/557563500.db2.gz MZLQMEDFAHTZPY-ZDUSSCGKSA-N -1 1 437.095 3.532 50 0 IHAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3cnn(C)c3C)CC(=O)O4)c2=O)cc1 ZINC000085877085 568838524 /nfs/dbraw/zinc/83/85/24/568838524.db2.gz KWQYNBIKZXLACB-OAHLLOKOSA-N -1 1 432.432 3.657 50 0 biogenic IHAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@@H]4c2cnn(C)c2C)cc1 ZINC000085877085 568838526 /nfs/dbraw/zinc/83/85/26/568838526.db2.gz KWQYNBIKZXLACB-OAHLLOKOSA-N -1 1 432.432 3.657 50 0 biogenic IHAAMM CC[C@H](C)NC(=O)c1c[n-]c2ccc(S(=O)(=O)N(C)c3ccc(Cl)cc3)cc2c1=O ZINC000006181236 568868100 /nfs/dbraw/zinc/86/81/00/568868100.db2.gz WEBFOPHJLJGZAX-ZDUSSCGKSA-N -1 1 447.944 3.535 50 0 IHAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OC)c(OC)c1)C(C(=O)OC)=C(C)N2 ZINC000008768857 568877808 /nfs/dbraw/zinc/87/78/08/568877808.db2.gz UJCJUCNMJHWHKN-KRWDZBQOSA-N -1 1 445.541 3.684 50 0 IHAAMM COc1ccccc1CN(C(=O)c1ccccc1Cl)c1nn2c([n-]1)nc(C)c(C)c2=O ZINC000064791905 568959074 /nfs/dbraw/zinc/95/90/74/568959074.db2.gz HCOIBFSOIPGIOZ-UHFFFAOYSA-N -1 1 437.887 3.543 50 0 IHAAMM CCN(CC)c1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC3)n(C)c2C)c(C)c1 ZINC000064922158 568985780 /nfs/dbraw/zinc/98/57/80/568985780.db2.gz AVZPXZKAZYHRDF-UHFFFAOYSA-N -1 1 432.590 3.525 50 0 IHAAMM CCc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)ccc2C)cc1 ZINC000065318818 569134473 /nfs/dbraw/zinc/13/44/73/569134473.db2.gz LGDFJRVIEKFLCS-UHFFFAOYSA-N -1 1 440.525 3.644 50 0 IHAAMM Cn1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)n1 ZINC000009955247 569151149 /nfs/dbraw/zinc/15/11/49/569151149.db2.gz CWESWNAAPHNZAG-UHFFFAOYSA-N -1 1 425.297 3.780 50 0 IHAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C2CCCC2)CC3)c(C)c1 ZINC000013696345 569156724 /nfs/dbraw/zinc/15/67/24/569156724.db2.gz LSAYBXQPVLBVRB-UHFFFAOYSA-N -1 1 441.553 3.834 50 0 IHAAMM Cn1ccnc1[C@H](NC(=O)CCn1c(-c2cccs2)n[n-]c1=S)c1ccc(F)cc1 ZINC000014403781 569158968 /nfs/dbraw/zinc/15/89/68/569158968.db2.gz ZRRCAHWLMNHYHX-QGZVFWFLSA-N -1 1 442.545 3.838 50 0 IHAAMM Cc1ccc2nc3c(cc2c1)C[C@]1(C(=O)[N-]C(=O)N(C2CCCCC2)C1=O)[C@H]1CCCCN31 ZINC000208133228 569189154 /nfs/dbraw/zinc/18/91/54/569189154.db2.gz HNRZMLRLNGETIV-QFQXNSOFSA-N -1 1 446.551 3.856 50 0 IHAAMM O=S(=O)([N-]Cc1ccccc1-n1ccnc1)c1c(Cl)cc(F)cc1Br ZINC000095453301 569368043 /nfs/dbraw/zinc/36/80/43/569368043.db2.gz XOGWIMHYRBBQGF-UHFFFAOYSA-N -1 1 444.713 3.906 50 0 IHAAMM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2cc(F)c(F)c(F)c2)CCO1 ZINC000096116738 569383803 /nfs/dbraw/zinc/38/38/03/569383803.db2.gz IOSIRUUPLUAGQV-QFYYESIMSA-N -1 1 427.448 3.911 50 0 IHAAMM O=c1[n-]n(C2CCSCC2)c2c1[C@H](c1cc3c(c(Cl)c1)OCO3)SCC(=O)N2 ZINC000096118339 569384459 /nfs/dbraw/zinc/38/44/59/569384459.db2.gz IEZWZHNIAUIPHV-INIZCTEOSA-N -1 1 439.946 3.814 50 0 IHAAMM COc1ccc(S(=O)(=O)Oc2ccc(C=C3SC(=S)[N-]C3=O)cc2OC)cc1 ZINC000002777398 569420923 /nfs/dbraw/zinc/42/09/23/569420923.db2.gz UDNZZVOMNOFAML-MHWRWJLKSA-N -1 1 437.520 3.801 50 0 IHAAMM O=S(=O)([N-]Cc1ccc2c(c1)OCO2)c1c(Cl)cc(Br)cc1Cl ZINC000003432438 569450859 /nfs/dbraw/zinc/45/08/59/569450859.db2.gz QNBVHLLPNTWBBQ-UHFFFAOYSA-N -1 1 439.114 3.963 50 0 IHAAMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000032412605 569461558 /nfs/dbraw/zinc/46/15/58/569461558.db2.gz NOUYYPMJOSVARY-INIZCTEOSA-N -1 1 433.541 3.716 50 0 IHAAMM CC(C)CCN1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2CCC1=O ZINC000008840932 569478437 /nfs/dbraw/zinc/47/84/37/569478437.db2.gz FMSGQHPAUJIHNM-UHFFFAOYSA-N -1 1 430.526 3.584 50 0 IHAAMM CN1c2ccccc2Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2C1=O ZINC000008961037 569490931 /nfs/dbraw/zinc/49/09/31/569490931.db2.gz ARVIHLIJSXYYRR-UHFFFAOYSA-N -1 1 438.461 3.641 50 0 IHAAMM CCCCc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC3CCC(O)CC3)c2)cc1 ZINC000009056589 569499068 /nfs/dbraw/zinc/49/90/68/569499068.db2.gz PTMSXTCJUFBQDG-UHFFFAOYSA-N -1 1 430.570 3.863 50 0 IHAAMM Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccncc1 ZINC000009353345 569524939 /nfs/dbraw/zinc/52/49/39/569524939.db2.gz MHPQWUVQRWENOZ-UHFFFAOYSA-N -1 1 437.503 3.837 50 0 IHAAMM COC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)[n-]c(=O)c2[C@@H]1c1cccnc1 ZINC000009393893 569529134 /nfs/dbraw/zinc/52/91/34/569529134.db2.gz KJMDVLWPVXHOPW-QGZVFWFLSA-N -1 1 438.484 3.601 50 0 IHAAMM O=C(NCc1ccco1)C(=C([O-])c1cccc(Br)c1)n1cc(Cl)ccc1=O ZINC000009601245 569551584 /nfs/dbraw/zinc/55/15/84/569551584.db2.gz ITRGMLCARBIONI-KRWDZBQOSA-N -1 1 449.688 3.598 50 0 IHAAMM CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3cc(F)ccc3F)c2)on1 ZINC000009637489 569554798 /nfs/dbraw/zinc/55/47/98/569554798.db2.gz AXDGUCUBPMQVFI-UHFFFAOYSA-N -1 1 438.408 3.606 50 0 IHAAMM Cc1cccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)nc3cc(=O)[n-]n32)c1 ZINC000009640840 569555455 /nfs/dbraw/zinc/55/54/55/569555455.db2.gz GQPOJAPRJLPGCE-UHFFFAOYSA-N -1 1 425.901 3.777 50 0 IHAAMM O=S(=O)([N-]c1cccc(-c2nnc3n2CCCCC3)c1)c1ccc2c(c1)OCCCO2 ZINC000009672357 569558803 /nfs/dbraw/zinc/55/88/03/569558803.db2.gz HTQBVMAXMGQFMO-UHFFFAOYSA-N -1 1 440.525 3.634 50 0 IHAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3nc(C)c(C(C)=O)s3)c2)cc1 ZINC000009714861 569562953 /nfs/dbraw/zinc/56/29/53/569562953.db2.gz YDWLZMQZTBVQOD-UHFFFAOYSA-N -1 1 445.522 3.716 50 0 IHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3c4ccccc4oc3C(N)=O)cc2)cc1 ZINC000009714917 569562959 /nfs/dbraw/zinc/56/29/59/569562959.db2.gz NXGKSRLSUBPRGM-UHFFFAOYSA-N -1 1 449.488 3.893 50 0 IHAAMM O=S(=O)([N-]c1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1ccc2ccccc2c1 ZINC000009714662 132237180 /nfs/dbraw/zinc/23/71/80/132237180.db2.gz OMUYRNKBDIHWRH-UHFFFAOYSA-N -1 1 446.532 3.934 50 0 IHAAMM O=S(=O)([N-]c1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1ccccc1 ZINC000009569497 132321931 /nfs/dbraw/zinc/32/19/31/132321931.db2.gz RQDCDGQYKMLJKE-UHFFFAOYSA-N -1 1 446.525 3.768 50 0 IHAAMM CC(C)NC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000012382623 519718476 /nfs/dbraw/zinc/71/84/76/519718476.db2.gz KYDSUHSDDRLAEF-UHFFFAOYSA-N -1 1 437.521 3.878 50 0 IHAAMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)CC)CCC3)c(C)c1 ZINC000012180583 521216803 /nfs/dbraw/zinc/21/68/03/521216803.db2.gz MVUMBWSPECJQKA-UHFFFAOYSA-N -1 1 429.542 3.834 50 0 IHAAMM CCCc1cc(=O)[n-]c(SCC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)n1 ZINC000012746279 521342761 /nfs/dbraw/zinc/34/27/61/521342761.db2.gz DLSXKGYGWGPXOR-AWEZNQCLSA-N -1 1 428.583 3.830 50 0 IHAAMM CCCc1cc(=O)[n-]c(S[C@@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000012566765 521344692 /nfs/dbraw/zinc/34/46/92/521344692.db2.gz HDWBVWSIUCNEEP-DLBZAZTESA-N -1 1 442.006 3.758 50 0 IHAAMM CCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3C)cc21 ZINC000012180667 521664835 /nfs/dbraw/zinc/66/48/35/521664835.db2.gz FVPOTQGGZFAPCY-UHFFFAOYSA-N -1 1 428.963 3.552 50 0 IHAAMM CCc1nc2sc([C@H](c3ccccc3Cl)N3CCC(C(=O)OC)CC3)c([O-])n2n1 ZINC000022853585 522538461 /nfs/dbraw/zinc/53/84/61/522538461.db2.gz GVBFJLQNHSKMGR-INIZCTEOSA-N -1 1 434.949 3.687 50 0 IHAAMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)N2CCN(c3ccccc3Cl)CC2)cc1 ZINC000012561273 523177149 /nfs/dbraw/zinc/17/71/49/523177149.db2.gz CDDIEKWFJARSBK-UHFFFAOYSA-N -1 1 443.960 3.618 50 0 IHAAMM COc1ccc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)cc1[N-]S(C)(=O)=O ZINC000012536068 524645238 /nfs/dbraw/zinc/64/52/38/524645238.db2.gz HMUBOYOKQOUNST-UHFFFAOYSA-N -1 1 442.468 3.689 50 0 IHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(COCC(F)(F)C(F)F)cc2)cc1OC ZINC000012371355 525079977 /nfs/dbraw/zinc/07/99/77/525079977.db2.gz GHKVVLFTTKHPDJ-UHFFFAOYSA-N -1 1 437.411 3.922 50 0 IHAAMM Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)[N-]c2ccc(F)cc2F)c(C)n1C ZINC000021030214 525568762 /nfs/dbraw/zinc/56/87/62/525568762.db2.gz OGTKTVUTBXVRGS-UHFFFAOYSA-N -1 1 425.501 3.593 50 0 IHAAMM Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c(=O)n(-c2ccccc2)n1C ZINC000012557063 525872990 /nfs/dbraw/zinc/87/29/90/525872990.db2.gz BVRZSHFZUXURTM-UHFFFAOYSA-N -1 1 445.850 3.957 50 0 IHAAMM O=C1N[C@H](c2ccccc2)C(=C([O-])c2ccc(Br)cc2)[C@@](O)(C(F)(F)F)N1 ZINC000012112403 526661139 /nfs/dbraw/zinc/66/11/39/526661139.db2.gz SCVHLNZCSIMTDW-CKEIUWERSA-N -1 1 443.219 3.553 50 0 IHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1 ZINC000001161950 555662308 /nfs/dbraw/zinc/66/23/08/555662308.db2.gz LJJUPDOAKCZAJE-UHFFFAOYSA-N -1 1 432.523 3.605 50 0 IHAAMM O=C(c1ccccc1[O-])N1N=C(c2ccc(Br)cc2)C[C@]1(O)C(F)(F)F ZINC000001215080 555683600 /nfs/dbraw/zinc/68/36/00/555683600.db2.gz ILRNJSYWKDGDIJ-INIZCTEOSA-N -1 1 429.192 3.656 50 0 IHAAMM C[C@@H](Sc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)[n-]1)C(=O)Nc1ccccc1 ZINC000002698660 555800003 /nfs/dbraw/zinc/80/00/03/555800003.db2.gz SVOATBRVTAQRJN-GFCCVEGCSA-N -1 1 449.941 3.788 50 0 IHAAMM C[C@H](Sc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)[n-]1)C(=O)Nc1ccccc1 ZINC000002698658 555800123 /nfs/dbraw/zinc/80/01/23/555800123.db2.gz SVOATBRVTAQRJN-LBPRGKRZSA-N -1 1 449.941 3.788 50 0 IHAAMM Cc1cc(=O)[n-]c(SCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)n1 ZINC000002751059 555810366 /nfs/dbraw/zinc/81/03/66/555810366.db2.gz LNOFLAFCCOQEOQ-UHFFFAOYSA-N -1 1 437.344 3.695 50 0 IHAAMM Cc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(=O)[n-]2)c1 ZINC000009909006 556316272 /nfs/dbraw/zinc/31/62/72/556316272.db2.gz LBMWBEVUZHFCLS-UHFFFAOYSA-N -1 1 449.941 3.708 50 0 IHAAMM C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000013949345 556344239 /nfs/dbraw/zinc/34/42/39/556344239.db2.gz OXRROBCRJPJVIQ-HUUCEWRRSA-N -1 1 426.535 3.578 50 0 IHAAMM CCCc1cc(=O)[n-]c(SCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)n1 ZINC000032671870 556414477 /nfs/dbraw/zinc/41/44/77/556414477.db2.gz BSRAFLRNSUUKDM-OAHLLOKOSA-N -1 1 428.539 3.847 50 0 IHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OC[C@H]3CC3(Cl)Cl)c2)cc1 ZINC000014852041 556450151 /nfs/dbraw/zinc/45/01/51/556450151.db2.gz NKULYVHHCHWLOD-CYBMUJFWSA-N -1 1 430.309 3.847 50 0 IHAAMM CCc1cc2c(COC(=O)[C@@H](C)NC(=O)c3ccccc3Cl)cc(=O)oc2cc1[O-] ZINC000013100597 556460128 /nfs/dbraw/zinc/46/01/28/556460128.db2.gz TZCUQPJACDGAAJ-GFCCVEGCSA-N -1 1 429.856 3.576 50 0 IHAAMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N[C@@H](c2nnc3ccccn32)C(C)C)c1 ZINC000072310114 556578898 /nfs/dbraw/zinc/57/88/98/556578898.db2.gz 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Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N2CCN(Cc3cccs3)CC2)c1 ZINC000023736664 557372559 /nfs/dbraw/zinc/37/25/59/557372559.db2.gz OPAHKWWDXZLQEZ-UHFFFAOYSA-N -1 1 427.599 3.712 50 0 IHAAMM CCOc1cc(/C=C2/NC(=S)[N-]C2=O)cc(Br)c1OCc1ccccc1 ZINC000033420050 557396357 /nfs/dbraw/zinc/39/63/57/557396357.db2.gz XVQGBMLJOSAEEP-OQLLNIDSSA-N -1 1 433.327 3.772 50 0 IHAAMM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OC)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102862037 557402612 /nfs/dbraw/zinc/40/26/12/557402612.db2.gz KJVGAKSWUZWNON-YTFSRNRJSA-N -1 1 430.460 3.755 50 0 IHAAMM CCOC(=O)C(=C([O-])CSc1nnc(-c2c[nH]c3ccccc32)o1)c1nc(C)cs1 ZINC000103056213 557417017 /nfs/dbraw/zinc/41/70/17/557417017.db2.gz ZRMZOYIOTDZDBP-INIZCTEOSA-N -1 1 442.522 3.991 50 0 IHAAMM CCN(C(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccc(F)c(F)c1)c1ccccc1 ZINC000051316763 557465504 /nfs/dbraw/zinc/46/55/04/557465504.db2.gz UBIUDFJKQLZIJF-UHFFFAOYSA-N -1 1 441.463 3.532 50 0 IHAAMM Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)Nc3nc(SCCc4ccccc4)[n-]c(=O)c32)c1 ZINC000085737264 557492261 /nfs/dbraw/zinc/49/22/61/557492261.db2.gz XNMFNTFXEQWNRI-KRWDZBQOSA-N -1 1 448.548 3.786 50 0 IHAAMM Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](CC(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000020247220 557522642 /nfs/dbraw/zinc/52/26/42/557522642.db2.gz FGUSFVWQNHUXQZ-AEFFLSMTSA-N -1 1 429.270 3.762 50 0 IHAAMM CCSc1nc2c(c(=O)[n-]1)[C@H](c1cccc(Br)c1)C(C(=O)OC)=C(C)N2 ZINC000044973643 557541979 /nfs/dbraw/zinc/54/19/79/557541979.db2.gz YYSVDTKWYJAMDO-CYBMUJFWSA-N -1 1 436.331 3.649 50 0 IHAAMM CS(=O)(=O)c1cc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)ccc1Cl ZINC000242339365 557847738 /nfs/dbraw/zinc/84/77/38/557847738.db2.gz ZHGAOKDXNKVJMM-UHFFFAOYSA-N -1 1 438.914 3.732 50 0 IHAAMM CN(C)c1cccc2c1cccc2S(=O)(=O)[N-]c1ccc(NC(=O)C(C)(C)CO)cc1 ZINC000003923823 562939341 /nfs/dbraw/zinc/93/93/41/562939341.db2.gz OSQAKHSYTKBSPB-UHFFFAOYSA-N -1 1 441.553 3.664 50 0 in-man IHAAMM CCc1noc(-c2cc(Cl)ccc2NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n1 ZINC000089295482 568920020 /nfs/dbraw/zinc/92/00/20/568920020.db2.gz WFVSBXQHEMOYLG-UHFFFAOYSA-N -1 1 425.825 3.591 50 0 IHAAMM CCN(CC)S(=O)(=O)c1ccc(N=Cc2c(C)[n-]n(-c3ccc(C)cc3)c2=O)cc1 ZINC000008440244 568953871 /nfs/dbraw/zinc/95/38/71/568953871.db2.gz RNYIDLLFYDCWRP-QNGOZBTKSA-N -1 1 426.542 3.744 50 0 IHAAMM CCc1ccc(NC(=O)c2cnc(N3CCN(c4ccccc4Cl)CC3)[n-]c2=O)cc1 ZINC000036314113 568998902 /nfs/dbraw/zinc/99/89/02/568998902.db2.gz PESUKDJDOQEBJV-UHFFFAOYSA-N -1 1 437.931 3.565 50 0 IHAAMM COc1ccc2oc(-c3noc(C[N-]S(=O)(=O)c4ccc(Cl)cc4)n3)c(C)c2c1 ZINC000065097235 569103695 /nfs/dbraw/zinc/10/36/95/569103695.db2.gz WZCHBICAGMEKRT-UHFFFAOYSA-N -1 1 433.873 3.932 50 0 IHAAMM COc1ccc(-c2c(C)noc2NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000065115940 569107020 /nfs/dbraw/zinc/10/70/20/569107020.db2.gz NRBPGCLNDLNYHH-UHFFFAOYSA-N -1 1 437.424 3.696 50 0 IHAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](CCO)C2CCCCC2)cc1 ZINC000089690597 569161340 /nfs/dbraw/zinc/16/13/40/569161340.db2.gz XWTFIURRHFLEBM-JOCHJYFZSA-N -1 1 430.570 3.857 50 0 IHAAMM Cc1cc(C)n(-c2ccc(Nc3ccc([N-]S(=O)(=O)c4cccc(F)c4)cc3)nn2)n1 ZINC000013010167 569306761 /nfs/dbraw/zinc/30/67/61/569306761.db2.gz OBNVBEUZWNBDLS-UHFFFAOYSA-N -1 1 438.488 3.963 50 0 IHAAMM O=C([O-])[C@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3csc(-c4ccccc4)c3)cc2)C1 ZINC000095459694 569369486 /nfs/dbraw/zinc/36/94/86/569369486.db2.gz WTNKDDBKHDMYNG-HNNXBMFYSA-N -1 1 442.518 3.653 50 0 IHAAMM O=C(c1cccc([N-]S(=O)(=O)c2ccc3n[nH]nc3c2)c1)N1CCC[C@@H]1C1CCCC1 ZINC000097010987 569402764 /nfs/dbraw/zinc/40/27/64/569402764.db2.gz IYWYCSDCMZNQEH-OAQYLSRUSA-N -1 1 439.541 3.554 50 0 IHAAMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3nnc(C4CC4)s3)c2)cc1 ZINC000003253451 569443034 /nfs/dbraw/zinc/44/30/34/569443034.db2.gz FZNHNBBPQMLAAE-UHFFFAOYSA-N -1 1 444.538 3.867 50 0 IHAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3nccn3C(F)F)cc2)c1 ZINC000031153045 569454122 /nfs/dbraw/zinc/45/41/22/569454122.db2.gz FNXCFBNQPIOVQV-UHFFFAOYSA-N -1 1 448.495 3.968 50 0 IHAAMM CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c([O-])nc(O)n(-c2ccc(C)cc2C)c1=O ZINC000009046251 569498245 /nfs/dbraw/zinc/49/82/45/569498245.db2.gz PPRKKUAVUTWWDK-JOCHJYFZSA-N -1 1 430.508 3.709 50 0 biogenic IHAAMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)Nc1nc2ccccc2s1 ZINC000009252880 569516077 /nfs/dbraw/zinc/51/60/77/569516077.db2.gz SLUWZZBMZNQWJC-VIFPVBQESA-N -1 1 430.338 3.909 50 0 IHAAMM CCOc1ccc(NC(=O)Cc2sc(CC(=O)Nc3ccc(C)cc3)nc2[O-])cc1 ZINC000009283124 569518870 /nfs/dbraw/zinc/51/88/70/569518870.db2.gz WQRFDDOXVORDCN-GOSISDBHSA-N -1 1 425.510 3.792 50 0 IHAAMM CCOC(=O)c1cccc(NC(=O)[C@H]([N-]S(=O)(=O)c2cccs2)c2ccccc2)c1 ZINC000009597741 569550970 /nfs/dbraw/zinc/55/09/70/569550970.db2.gz PMIWOVRBYBZSBJ-LJQANCHMSA-N -1 1 444.534 3.583 50 0 IHAAMM COc1cc(C)ccc1OCCSc1nc(-c2ccc(F)cc2)nc2cc(=O)[n-]n21 ZINC000009641147 569555544 /nfs/dbraw/zinc/55/55/44/569555544.db2.gz IGOQFTLKPFNJIT-UHFFFAOYSA-N -1 1 426.473 3.712 50 0 IHAAMM CNC(=O)c1ccsc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000009714849 569562901 /nfs/dbraw/zinc/56/29/01/569562901.db2.gz XWYTWIBERSQJTC-UHFFFAOYSA-N -1 1 449.941 3.814 50 0 IHAAMM O=S(=O)([N-]c1ccc(Cl)cc1)c1cccc(NC(=S)NC[C@@H]2CCCO2)c1 ZINC000009716330 569563223 /nfs/dbraw/zinc/56/32/23/569563223.db2.gz KGVMNIVOZKYTKF-INIZCTEOSA-N -1 1 425.963 3.606 50 0 IHAAMM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1ccco1 ZINC000009777817 569567150 /nfs/dbraw/zinc/56/71/50/569567150.db2.gz DDAVLUWRVNZVBN-OAHLLOKOSA-N -1 1 442.493 3.733 50 0 IHAAMM C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)c1ccco1 ZINC000009777814 569567166 /nfs/dbraw/zinc/56/71/66/569567166.db2.gz DDAVLUWRVNZVBN-HNNXBMFYSA-N -1 1 442.493 3.733 50 0 IHAAMM Cc1cc(NC(=O)Cc2ccc(-c3ccccc3)cc2)n(-c2nc3c(c(=O)[n-]2)CCC3)n1 ZINC000009822670 569569561 /nfs/dbraw/zinc/56/95/61/569569561.db2.gz GADHRXAOVDGZCK-UHFFFAOYSA-N -1 1 425.492 3.601 50 0 IHAAMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCc4sccc4C3)cc2)cc1 ZINC000009896658 569573005 /nfs/dbraw/zinc/57/30/05/569573005.db2.gz ZWEIDFGMYSLDBH-UHFFFAOYSA-N -1 1 428.535 3.756 50 0 IHAAMM CC(C)c1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)c2cc(-c3ccccc3)on2)n1 ZINC000012126681 519831077 /nfs/dbraw/zinc/83/10/77/519831077.db2.gz IHQXGXLOLHETFR-UHFFFAOYSA-N -1 1 430.468 3.864 50 0 IHAAMM CCOC(=O)C1CCN([C@H](c2sc3nc(CC)nn3c2[O-])c2ccc(F)cc2)CC1 ZINC000022853492 520583542 /nfs/dbraw/zinc/58/35/42/520583542.db2.gz LVXDVMFZADXNKC-KRWDZBQOSA-N -1 1 432.521 3.562 50 0 IHAAMM CN(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)cc1 ZINC000012561124 522234852 /nfs/dbraw/zinc/23/48/52/522234852.db2.gz NSACXRUZYXJQMD-UHFFFAOYSA-N -1 1 439.493 3.534 50 0 IHAAMM C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)C[C@H](C)O1 ZINC000012525830 524867286 /nfs/dbraw/zinc/86/72/86/524867286.db2.gz PTBQMCBFBXDFKU-OKILXGFUSA-N -1 1 442.459 3.756 50 0 IHAAMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)cc1C ZINC000012548565 525241094 /nfs/dbraw/zinc/24/10/94/525241094.db2.gz BBVWOWKIVPTENL-UHFFFAOYSA-N -1 1 436.493 3.526 50 0 IHAAMM CS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000012507959 525271217 /nfs/dbraw/zinc/27/12/17/525271217.db2.gz CLSDXLNRPPHZCC-UHFFFAOYSA-N -1 1 447.378 3.929 50 0 IHAAMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)[C@@H]1CCCO1 ZINC000012521276 525333756 /nfs/dbraw/zinc/33/37/56/525333756.db2.gz VLWSNLHDWWXUCK-ACJLOTCBSA-N -1 1 442.459 3.804 50 0 IHAAMM Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2ccccc2F)nc2cc(=O)[n-]n21 ZINC000020987105 525765701 /nfs/dbraw/zinc/76/57/01/525765701.db2.gz OOMNSAAIWKACTQ-UHFFFAOYSA-N -1 1 443.891 3.916 50 0 IHAAMM O=C([N-]c1nnc(SCc2nc3ccccc3[nH]c2=O)s1)c1c(F)cccc1F ZINC000013361195 527536584 /nfs/dbraw/zinc/53/65/84/527536584.db2.gz QNJYAJPAGYOPNY-UHFFFAOYSA-N -1 1 431.449 3.597 50 0 IHAAMM CN(c1nc([O-])c(CC(=O)Nc2ccc(Br)cc2)s1)c1ccc(O)cc1 ZINC000001143231 555651186 /nfs/dbraw/zinc/65/11/86/555651186.db2.gz GUVYFAHTUWJAQV-OAHLLOKOSA-N -1 1 434.315 3.618 50 0 aggregator IHAAMM CC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3cc4cccc5c4c(c3)C(=O)NC5=O)cc21 ZINC000002685324 555798735 /nfs/dbraw/zinc/79/87/35/555798735.db2.gz PQCFAWJGDDEELI-UHFFFAOYSA-N -1 1 448.456 3.781 50 0 IHAAMM Cc1ccc(C)c(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(F)cc3)[n-]c2=O)c1 ZINC000002693292 555799806 /nfs/dbraw/zinc/79/98/06/555799806.db2.gz XSJUYRUBAAELRT-UHFFFAOYSA-N -1 1 447.513 3.502 50 0 IHAAMM CC(C)NC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000033274509 556558513 /nfs/dbraw/zinc/55/85/13/556558513.db2.gz ZHHHJTLDHGSVBI-UHFFFAOYSA-N -1 1 437.359 3.806 50 0 IHAAMM COc1ccc(-c2nc(C(=O)OCc3cc(=O)oc4cc([O-])ccc34)cs2)cc1OC ZINC000016556356 556615296 /nfs/dbraw/zinc/61/52/96/556615296.db2.gz SNYSDQTZKUIWPS-UHFFFAOYSA-N -1 1 439.445 3.996 50 0 IHAAMM COc1ccc(CC(=O)Nc2cc(-c3cccs3)nn2-c2nc(C(C)C)cc(=O)[n-]2)cc1 ZINC000011855625 556662122 /nfs/dbraw/zinc/66/21/22/556662122.db2.gz XOHRIAZLEKGNKH-UHFFFAOYSA-N -1 1 449.536 3.997 50 0 IHAAMM COc1cccc(CSc2nc(CC(=O)Nc3cc(Cl)ccc3OC)cc(=O)[n-]2)c1 ZINC000023138193 557018622 /nfs/dbraw/zinc/01/86/22/557018622.db2.gz YLSJBCUEDLNNFC-UHFFFAOYSA-N -1 1 445.928 3.914 50 0 IHAAMM COc1ccc(NC(=O)Cc2cc(=O)[n-]c(SCc3cccc(Cl)c3)n2)c(OC)c1 ZINC000023138244 557021419 /nfs/dbraw/zinc/02/14/19/557021419.db2.gz OIKLSRRWMFZSJE-UHFFFAOYSA-N -1 1 445.928 3.914 50 0 IHAAMM Cc1nc2ccccc2n1CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000010737425 557022362 /nfs/dbraw/zinc/02/23/62/557022362.db2.gz KZDZOFRFWSSHAD-UHFFFAOYSA-N -1 1 434.521 3.576 50 0 IHAAMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)C[C@@H](C)S3)cc(OC)c1 ZINC000032944014 557022824 /nfs/dbraw/zinc/02/28/24/557022824.db2.gz BXVIXPVQMXSXRK-CYBMUJFWSA-N -1 1 448.566 3.742 50 0 IHAAMM O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)Nc2nc(SCc3ccccc3)[n-]c(=O)c21 ZINC000046074561 557030746 /nfs/dbraw/zinc/03/07/46/557030746.db2.gz FIPDWYPTDXFUOB-OAHLLOKOSA-N -1 1 440.912 3.780 50 0 IHAAMM CCc1nn2c(c1-c1ccc(C)c(S(=O)(=O)[N-]c3ccccc3)c1)NC(=O)CCC2=O ZINC000033276700 557057427 /nfs/dbraw/zinc/05/74/27/557057427.db2.gz IDXOZFQCIDMDJV-UHFFFAOYSA-N -1 1 438.509 3.594 50 0 IHAAMM CCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)CC(c2ccccc2)c2ccccc2)n1 ZINC000017317038 557057580 /nfs/dbraw/zinc/05/75/80/557057580.db2.gz PWMPMXXUXXPNHX-UHFFFAOYSA-N -1 1 427.508 3.987 50 0 IHAAMM O=C(CCc1ccco1)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000023053461 557060146 /nfs/dbraw/zinc/06/01/46/557060146.db2.gz CKWKPDMICRHWFS-UHFFFAOYSA-N -1 1 442.493 3.813 50 0 IHAAMM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1C ZINC000018120543 557238260 /nfs/dbraw/zinc/23/82/60/557238260.db2.gz WVZCBSSBRRDPJB-CALCHBBNSA-N -1 1 430.570 3.970 50 0 IHAAMM CC(=O)N(Cc1cccs1)c1nn2c([n-]1)nc(C)c(Cc1ccc(Cl)cc1)c2=O ZINC000101416664 557284652 /nfs/dbraw/zinc/28/46/52/557284652.db2.gz FWCRQVJFFOBKDR-UHFFFAOYSA-N -1 1 427.917 3.585 50 0 IHAAMM CCCCn1c([O-])c(C2=NN(C(=O)CC)[C@@H](c3ccc(OC)cc3)C2)c(=O)[nH]c1=S ZINC000101495328 557289038 /nfs/dbraw/zinc/28/90/38/557289038.db2.gz HTEZNDSZROYNPI-MRXNPFEDSA-N -1 1 430.530 3.508 50 0 IHAAMM CCCCn1c([O-])c(C2=NN(C(=O)CC)[C@H](c3ccc(OC)cc3)C2)c(=O)[nH]c1=S ZINC000101495326 557289259 /nfs/dbraw/zinc/28/92/59/557289259.db2.gz HTEZNDSZROYNPI-INIZCTEOSA-N -1 1 430.530 3.508 50 0 IHAAMM CCCC(=O)N(Cc1ccc(C)cc1)c1nn2c([n-]1)nc(C)c(Cc1ccccc1)c2=O ZINC000101861128 557304086 /nfs/dbraw/zinc/30/40/86/557304086.db2.gz ZLNZEZNRFDTXLA-UHFFFAOYSA-N -1 1 429.524 3.959 50 0 IHAAMM CCc1ccc(CN(C(=O)CCc2ccccc2)c2nn3c([n-]2)nc(C)c(C)c3=O)cc1 ZINC000101877875 557304395 /nfs/dbraw/zinc/30/43/95/557304395.db2.gz XSUYBTKFRFVKFD-UHFFFAOYSA-N -1 1 429.524 3.763 50 0 IHAAMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c(F)cc1F ZINC000024428228 557326043 /nfs/dbraw/zinc/32/60/43/557326043.db2.gz VJXIDSQPNPADFZ-UHFFFAOYSA-N -1 1 440.649 3.968 50 0 IHAAMM COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000102722488 557369260 /nfs/dbraw/zinc/36/92/60/557369260.db2.gz UELMKLYKBHWQJF-DNVJHFABSA-N -1 1 430.460 3.760 50 0 IHAAMM O=C(CNC(=O)OCc1ccccc1)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000000941338 562919761 /nfs/dbraw/zinc/91/97/61/562919761.db2.gz WMBBCGGGMLADNU-UHFFFAOYSA-N -1 1 445.427 3.997 50 0 biogenic IHAAMM O=C(CNC(=O)OCc1ccccc1)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000000941338 562919762 /nfs/dbraw/zinc/91/97/62/562919762.db2.gz WMBBCGGGMLADNU-UHFFFAOYSA-N -1 1 445.427 3.997 50 0 biogenic IHAAMM O=S(=O)([N-]c1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000001427807 562921872 /nfs/dbraw/zinc/92/18/72/562921872.db2.gz WDJHXSAEWTUUIL-UHFFFAOYSA-N -1 1 436.512 3.992 50 0 aggregator IHAAMM COc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[n-]c(=O)c32)cc1O ZINC000086057591 568642729 /nfs/dbraw/zinc/64/27/29/568642729.db2.gz LSLOEOZUVGTYGG-AWEZNQCLSA-N -1 1 443.912 3.904 50 0 IHAAMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)ccc1Br ZINC000015728407 568813162 /nfs/dbraw/zinc/81/31/62/568813162.db2.gz BNNJPFDLMPJMJO-UHFFFAOYSA-N -1 1 427.345 3.993 50 0 IHAAMM 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/nfs/dbraw/zinc/38/91/86/569389186.db2.gz OHHUUAVVXCVGDJ-UHFFFAOYSA-N -1 1 449.960 3.882 50 0 IHAAMM O=C(c1cccc([N-]S(=O)(=O)c2ccc3n[nH]nc3c2)c1)N1CCC[C@H]1C1CCCC1 ZINC000097010990 569402874 /nfs/dbraw/zinc/40/28/74/569402874.db2.gz IYWYCSDCMZNQEH-NRFANRHFSA-N -1 1 439.541 3.554 50 0 IHAAMM CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000002640187 569413494 /nfs/dbraw/zinc/41/34/94/569413494.db2.gz RIHXSSIJFREJOK-UHFFFAOYSA-N -1 1 442.868 3.866 50 0 IHAAMM COc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000002656341 569415549 /nfs/dbraw/zinc/41/55/49/569415549.db2.gz QLFLHYPZMNYABQ-UHFFFAOYSA-N -1 1 440.477 3.520 50 0 IHAAMM CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c(=O)[nH]c(=O)n(CCC2=CCCCC2)c1[O-] ZINC000008876337 569481109 /nfs/dbraw/zinc/48/11/09/569481109.db2.gz PHGNPIHHGDQPKR-JOCHJYFZSA-N -1 1 434.540 3.581 50 0 biogenic IHAAMM Cc1oncc1C(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC000040155203 569493865 /nfs/dbraw/zinc/49/38/65/569493865.db2.gz CTEQESOFLUDWLS-UHFFFAOYSA-N -1 1 436.287 3.799 50 0 IHAAMM CN1c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2OCC(C)(C)C1=O ZINC000009165559 569508812 /nfs/dbraw/zinc/50/88/12/569508812.db2.gz UIOKMFQIQYPZDD-UHFFFAOYSA-N -1 1 439.331 3.631 50 0 IHAAMM CC1(C)COc2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2NC1=O ZINC000009173328 569509655 /nfs/dbraw/zinc/50/96/55/569509655.db2.gz MGHSFTCRYDMAEV-UHFFFAOYSA-N -1 1 425.304 3.607 50 0 IHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)s2)c(Cl)c1 ZINC000009274221 569518157 /nfs/dbraw/zinc/51/81/57/569518157.db2.gz NNTPYKDUCFLFRS-UHFFFAOYSA-N -1 1 447.925 3.702 50 0 IHAAMM Cc1oc2cc3oc(=O)c(CCC(=O)Nc4nnn[n-]4)c(C)c3cc2c1-c1ccccc1 ZINC000009340423 569523861 /nfs/dbraw/zinc/52/38/61/569523861.db2.gz DGRVKNMXOICHJX-UHFFFAOYSA-N -1 1 429.436 3.907 50 0 IHAAMM Cc1oc2cc3oc(=O)c(CCC(=O)Nc4nn[n-]n4)c(C)c3cc2c1-c1ccccc1 ZINC000009340423 569523862 /nfs/dbraw/zinc/52/38/62/569523862.db2.gz DGRVKNMXOICHJX-UHFFFAOYSA-N -1 1 429.436 3.907 50 0 IHAAMM COC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)[n-]c(=O)c2[C@H]1c1cccnc1 ZINC000009393890 569529167 /nfs/dbraw/zinc/52/91/67/569529167.db2.gz KJMDVLWPVXHOPW-KRWDZBQOSA-N -1 1 438.484 3.601 50 0 IHAAMM Cc1ccc(-n2ncc3c2ncn([N-]C(=O)c2cc(Cl)ccc2Cl)c3=O)cc1C ZINC000009563080 569547375 /nfs/dbraw/zinc/54/73/75/569547375.db2.gz GHANQNBKASIKJP-UHFFFAOYSA-N -1 1 428.279 3.890 50 0 IHAAMM CCNc1ccc(S(=O)(=O)N(CC)CC)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000009613111 569552983 /nfs/dbraw/zinc/55/29/83/569552983.db2.gz RHSLFXSJARYECH-UHFFFAOYSA-N -1 1 445.994 3.603 50 0 IHAAMM COc1cc([N-]S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CCC4)cc(OC)c1OC ZINC000009807000 569568967 /nfs/dbraw/zinc/56/89/67/569568967.db2.gz ZFWITQOCDABXEW-UHFFFAOYSA-N -1 1 444.509 3.822 50 0 IHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)c2ccccc2O3)cc1OC ZINC000009827879 569569682 /nfs/dbraw/zinc/56/96/82/569569682.db2.gz GUSNRQKGAYFMJR-UHFFFAOYSA-N -1 1 440.477 3.887 50 0 IHAAMM Cc1ccc(S(=O)(=O)N2CCCc3ccc([N-]S(=O)(=O)c4ccccc4)cc32)cc1 ZINC000009708660 132236869 /nfs/dbraw/zinc/23/68/69/132236869.db2.gz UNTAKJYKGZCYHR-UHFFFAOYSA-N -1 1 442.562 3.937 50 0 IHAAMM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000021899064 519377554 /nfs/dbraw/zinc/37/75/54/519377554.db2.gz DTBCCEZYTYZJLY-UHFFFAOYSA-N -1 1 438.933 3.626 50 0 IHAAMM CC(=O)N1CCOc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc21 ZINC000020902249 519604426 /nfs/dbraw/zinc/60/44/26/519604426.db2.gz PLUIITGNSWCNJZ-UHFFFAOYSA-N -1 1 434.823 3.905 50 0 IHAAMM CCCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)cc21 ZINC000012180628 520528391 /nfs/dbraw/zinc/52/83/91/520528391.db2.gz JXNXDEIBHQKWSN-UHFFFAOYSA-N -1 1 442.990 3.942 50 0 IHAAMM COc1ccc(C=CC(=O)Nc2cc(C3CC3)nn2-c2nc(C(C)C)cc(=O)[n-]2)cc1OC ZINC000012126225 523428977 /nfs/dbraw/zinc/42/89/77/523428977.db2.gz HJNBYFVYKAZCET-POHAHGRESA-N -1 1 449.511 3.626 50 0 IHAAMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)OC[C@H](C(=O)N2CCCCCC2)O3)c1 ZINC000020603036 524162086 /nfs/dbraw/zinc/16/20/86/524162086.db2.gz HCKBJPACJMNRMA-JOCHJYFZSA-N -1 1 444.553 3.647 50 0 IHAAMM Cc1cc2nc(CSc3ccccc3[N-]S(=O)(=O)c3ccc(F)cc3)cc(=O)n2o1 ZINC000041089672 525675793 /nfs/dbraw/zinc/67/57/93/525675793.db2.gz SMRIFXIMBYOXAR-UHFFFAOYSA-N -1 1 445.497 3.828 50 0 IHAAMM CSc1nnc([N-]C(=O)c2sc3ncn(Cc4ccccc4)c(=O)c3c2C)s1 ZINC000035671828 526229651 /nfs/dbraw/zinc/22/96/51/526229651.db2.gz KDTVAXJNPVFMHW-UHFFFAOYSA-N -1 1 429.552 3.640 50 0 IHAAMM O=C(c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1)N1CCCCCC1 ZINC000012548533 526702600 /nfs/dbraw/zinc/70/26/00/526702600.db2.gz DPRHROGGNBNUME-UHFFFAOYSA-N -1 1 430.526 3.665 50 0 IHAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CCc2sccc2C1 ZINC000012216484 527237566 /nfs/dbraw/zinc/23/75/66/527237566.db2.gz CAVWYWBZANWGES-UHFFFAOYSA-N -1 1 430.526 3.815 50 0 IHAAMM O=S(=O)([N-]c1ccc(-n2cnnn2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000012508131 527247331 /nfs/dbraw/zinc/24/73/31/527247331.db2.gz FJELAJQJZTVBIC-UHFFFAOYSA-N -1 1 437.325 3.501 50 0 IHAAMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc3c(c2)OCO3)ccc1C ZINC000001067096 555619006 /nfs/dbraw/zinc/61/90/06/555619006.db2.gz AXJJMZSBIOYQGG-UHFFFAOYSA-N -1 1 438.505 3.763 50 0 IHAAMM COc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000001150096 555655806 /nfs/dbraw/zinc/65/58/06/555655806.db2.gz ORJRNZUCPYOXCU-UHFFFAOYSA-N -1 1 432.523 3.605 50 0 IHAAMM CCOc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000001153405 555657571 /nfs/dbraw/zinc/65/75/71/555657571.db2.gz JYQVWKQADHGEGQ-UHFFFAOYSA-N -1 1 446.550 3.995 50 0 IHAAMM O=C1[N-]C(=O)C(CCc2ccccn2)(CCc2ccccn2)C(=O)N1CCC1=CCCCC1 ZINC000002884458 555857195 /nfs/dbraw/zinc/85/71/95/555857195.db2.gz VUOBRPHNCYMIJC-UHFFFAOYSA-N -1 1 446.551 3.997 50 0 IHAAMM Cc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)[N-]C(=O)c2ccccc2)cc1F ZINC000032752698 556313381 /nfs/dbraw/zinc/31/33/81/556313381.db2.gz DCLJHMIOZLKSFI-UHFFFAOYSA-N -1 1 447.491 3.882 50 0 IHAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2)cc1I ZINC000016226935 556593106 /nfs/dbraw/zinc/59/31/06/556593106.db2.gz FUYNDSXCWJEOIH-UHFFFAOYSA-N -1 1 435.308 3.823 50 0 IHAAMM Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(F)cc3)[n-]c2=O)c(C)c1 ZINC000016840144 556645527 /nfs/dbraw/zinc/64/55/27/556645527.db2.gz SKNFHQIKPHEVHV-UHFFFAOYSA-N -1 1 447.513 3.502 50 0 IHAAMM Cc1cc(=O)[n-]c(-n2nc(-c3cccs3)cc2NC(=O)CSCc2ccccc2)n1 ZINC000011854438 556661712 /nfs/dbraw/zinc/66/17/12/556661712.db2.gz ASLSZFNZCCEWJV-UHFFFAOYSA-N -1 1 437.550 3.864 50 0 IHAAMM Cc1cccc(OCC(=O)Nc2cc(-c3cccs3)nn2-c2nc(C)c(C)c(=O)[n-]2)c1 ZINC000011854958 556662133 /nfs/dbraw/zinc/66/21/33/556662133.db2.gz QUVWBUHGHZLPSH-UHFFFAOYSA-N -1 1 435.509 3.627 50 0 IHAAMM COC(=O)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000137628461 556697774 /nfs/dbraw/zinc/69/77/74/556697774.db2.gz ILJJGQCDYHLQGO-YTFSRNRJSA-N -1 1 442.471 3.833 50 0 IHAAMM CCn1nc([O-])c(=Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1-c1ccc(Cl)cc1 ZINC000013615909 556703462 /nfs/dbraw/zinc/70/34/62/556703462.db2.gz AMINHRURAIRYTM-PLRJNAJWSA-N -1 1 435.915 3.959 50 0 IHAAMM CCn1[n-]c(=O)c(=Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1-c1ccc(Cl)cc1 ZINC000013615909 556703465 /nfs/dbraw/zinc/70/34/65/556703465.db2.gz AMINHRURAIRYTM-PLRJNAJWSA-N -1 1 435.915 3.959 50 0 IHAAMM Cc1cccc(N2CCN(C(=O)Cc3cc(=O)[n-]c(SCc4ccccc4)n3)CC2)c1 ZINC000023138046 557018335 /nfs/dbraw/zinc/01/83/35/557018335.db2.gz DCQNIAYWYDDEHY-UHFFFAOYSA-N -1 1 434.565 3.674 50 0 IHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)CCc3c(C)noc3C)c2)cc1 ZINC000023135426 557018651 /nfs/dbraw/zinc/01/86/51/557018651.db2.gz AYTKFULCDGANDQ-UHFFFAOYSA-N -1 1 429.498 3.672 50 0 IHAAMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)C[C@H](C)S3)cc1 ZINC000032943982 557022306 /nfs/dbraw/zinc/02/23/06/557022306.db2.gz PKIZXCZTRREEAW-ZDUSSCGKSA-N -1 1 430.551 3.927 50 0 IHAAMM O=C(Nc1ccccc1)[C@H]1CC(=O)Nc2nc(SCc3ccccc3Cl)[n-]c(=O)c21 ZINC000046075008 557031492 /nfs/dbraw/zinc/03/14/92/557031492.db2.gz LLGQZJQPFWIJNG-AWEZNQCLSA-N -1 1 440.912 3.780 50 0 IHAAMM CNC(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4cccc(C)c4)ccc3n2C)cc1 ZINC000033277009 557057803 /nfs/dbraw/zinc/05/78/03/557057803.db2.gz VPEWWKHKEOQOLT-UHFFFAOYSA-N -1 1 434.521 3.709 50 0 IHAAMM O=C(NCc1cccnc1)[C@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421208 557107786 /nfs/dbraw/zinc/10/77/86/557107786.db2.gz ZBYDWBXQADRCMG-SFHVURJKSA-N -1 1 445.548 3.579 50 0 IHAAMM CC[C@H](C)NC(=O)[C@H]1CCCN(c2nc(=O)c3scc(-c4cccc(OC)c4)c3[n-]2)C1 ZINC000049421327 557108064 /nfs/dbraw/zinc/10/80/64/557108064.db2.gz HGLRQBNUMRZUNV-HOCLYGCPSA-N -1 1 440.569 3.791 50 0 IHAAMM O=S(=O)([N-]c1ccc(I)cc1)c1ccc(F)c2ncccc12 ZINC000024578701 557151808 /nfs/dbraw/zinc/15/18/08/557151808.db2.gz FGRPQQJTSKDLTI-UHFFFAOYSA-N -1 1 428.226 3.779 50 0 IHAAMM Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)cc1 ZINC000046074784 557266177 /nfs/dbraw/zinc/26/61/77/557266177.db2.gz DRWCHDUYFLWJAT-QGZVFWFLSA-N -1 1 434.521 3.744 50 0 IHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc4nnc(-c5ccncc5)n4n3)cc2)cc1 ZINC000011665575 557285776 /nfs/dbraw/zinc/28/57/76/557285776.db2.gz QKUKNZDXZLCONV-UHFFFAOYSA-N -1 1 442.504 3.963 50 0 IHAAMM COc1cccc(CN(C(=O)C(C)C)c2nn3c([n-]2)nc(C)c(Cc2ccccc2)c3=O)c1 ZINC000101878296 557304306 /nfs/dbraw/zinc/30/43/06/557304306.db2.gz QHAQFZWWTMPNKN-UHFFFAOYSA-N -1 1 445.523 3.515 50 0 IHAAMM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000102728529 557370556 /nfs/dbraw/zinc/37/05/56/557370556.db2.gz JHOANXJVAKMHAI-DNVJHFABSA-N -1 1 430.460 3.755 50 0 IHAAMM Cc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccc(F)c(F)c2)cc1C ZINC000051316757 557465524 /nfs/dbraw/zinc/46/55/24/557465524.db2.gz WQOKNCYRHWWMCM-UHFFFAOYSA-N -1 1 441.463 3.735 50 0 IHAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2SCc2ccco2)n(C)c(=O)n3C)cc1 ZINC000045941031 557549566 /nfs/dbraw/zinc/54/95/66/557549566.db2.gz BHMLTYSHIJMXCK-UHFFFAOYSA-N -1 1 443.550 3.872 50 0 IHAAMM Cc1noc(C)c1S(=O)(=O)[N-]c1c(=O)oc2ccccc2c1NCc1ccccc1 ZINC000045961946 557557022 /nfs/dbraw/zinc/55/70/22/557557022.db2.gz HTIXDPBODYPKSY-UHFFFAOYSA-N -1 1 425.466 3.811 50 0 IHAAMM Cc1ccc([O-])c(S(=O)(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000040155894 557706133 /nfs/dbraw/zinc/70/61/33/557706133.db2.gz ODVWWNGBFCIQMV-UHFFFAOYSA-N -1 1 444.340 3.546 50 0 IHAAMM O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3ccccc3F)cc21 ZINC000040450424 557734013 /nfs/dbraw/zinc/73/40/13/557734013.db2.gz RCLABAUZRDBSHV-UHFFFAOYSA-N -1 1 439.306 3.688 50 0 IHAAMM COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)c1OC ZINC000226971359 557811565 /nfs/dbraw/zinc/81/15/65/557811565.db2.gz PXSJQVJGJHFENU-QZNHQXDQSA-N -1 1 430.460 3.755 50 0 IHAAMM COC(=O)c1ccc(Sc2ccccc2[N-]S(=O)(=O)c2ccc(OC)cc2)nc1 ZINC000008642437 562960133 /nfs/dbraw/zinc/96/01/33/562960133.db2.gz RVLPGBHPJCIPDF-UHFFFAOYSA-N -1 1 430.507 3.829 50 0 IHAAMM Cc1nn(-c2nc(C)cc(=O)[n-]2)c(C)c1CCC(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000016849697 563021012 /nfs/dbraw/zinc/02/10/12/563021012.db2.gz FJOYVXBUGYMBLT-UHFFFAOYSA-N -1 1 437.397 3.610 50 0 IHAAMM CCOc1cc([C@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)ccc1OC ZINC000086056940 568642156 /nfs/dbraw/zinc/64/21/56/568642156.db2.gz FMOLRNWTHVMGPZ-MRXNPFEDSA-N -1 1 437.521 3.944 50 0 IHAAMM CC(C)(C)OC(=O)NCCC(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000001750388 568738448 /nfs/dbraw/zinc/73/84/48/568738448.db2.gz XNHRQQRPPJNDKJ-UHFFFAOYSA-N -1 1 425.437 3.986 50 0 biogenic IHAAMM CC(C)(C)OC(=O)NCCC(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000001750388 568738449 /nfs/dbraw/zinc/73/84/49/568738449.db2.gz XNHRQQRPPJNDKJ-UHFFFAOYSA-N -1 1 425.437 3.986 50 0 biogenic IHAAMM O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1ccc(S(=O)(=O)[N-]C2CC2)o1 ZINC000031587280 568740592 /nfs/dbraw/zinc/74/05/92/568740592.db2.gz UBULFVJXHWKICQ-UHFFFAOYSA-N -1 1 430.457 3.582 50 0 IHAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCc3cc(=O)n4cc(C)ccc4n3)c2)cc1 ZINC000015865508 568850685 /nfs/dbraw/zinc/85/06/85/568850685.db2.gz VZODCOHRBVPBEG-UHFFFAOYSA-N -1 1 435.505 3.691 50 0 IHAAMM COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cnc2N(CC(C)C)CC(C)C)cc1 ZINC000064472390 568930074 /nfs/dbraw/zinc/93/00/74/568930074.db2.gz BNYZIKZNAUUUFB-UHFFFAOYSA-N -1 1 435.546 3.708 50 0 IHAAMM O=C1N[C@H](c2ccc(Br)cc2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000169688938 569000436 /nfs/dbraw/zinc/00/04/36/569000436.db2.gz DNRBHMCGLHWPTR-VBQJREDUSA-N -1 1 443.219 3.553 50 0 IHAAMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C(C)C)cc1 ZINC000065021127 569088666 /nfs/dbraw/zinc/08/86/66/569088666.db2.gz PDHWJCOIJUSTRC-UHFFFAOYSA-N -1 1 429.542 3.726 50 0 IHAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C2CC2)cc1OC ZINC000065021169 569088814 /nfs/dbraw/zinc/08/88/14/569088814.db2.gz XUJHHBSRKBWHSN-UHFFFAOYSA-N -1 1 430.526 3.539 50 0 IHAAMM Cc1cccc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)ccc2C)c1C ZINC000065318814 569134598 /nfs/dbraw/zinc/13/45/98/569134598.db2.gz FZIIXURRWBBCCD-UHFFFAOYSA-N -1 1 440.525 3.699 50 0 IHAAMM O=C(N[C@H](c1nn[n-]n1)c1cc(F)ccc1F)c1csc(-c2cccc(Cl)c2)n1 ZINC000065552476 569139747 /nfs/dbraw/zinc/13/97/47/569139747.db2.gz NCOOGLAYUUNVPC-HNNXBMFYSA-N -1 1 432.843 3.774 50 0 IHAAMM O=C([O-])c1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)cc1 ZINC000170601025 569142768 /nfs/dbraw/zinc/14/27/68/569142768.db2.gz CAXPXMYXSPBJNM-INIZCTEOSA-N -1 1 425.890 3.787 50 0 IHAAMM CCN(CC)c1ccc(NC(=O)CCc2c(C)nn(-c3nc(C)cc(=O)[n-]3)c2C)c(C)c1 ZINC000016849703 569164629 /nfs/dbraw/zinc/16/46/29/569164629.db2.gz VRGPYVWJTYIATR-UHFFFAOYSA-N -1 1 436.560 3.607 50 0 IHAAMM COc1cccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCc4ccco4)CCC3)cc2)c1 ZINC000013351035 569313241 /nfs/dbraw/zinc/31/32/41/569313241.db2.gz PZOPKXLFIVPAPQ-UHFFFAOYSA-N -1 1 440.521 3.827 50 0 IHAAMM CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2cc(F)c(F)c(F)c2)CCO1 ZINC000096116737 569383752 /nfs/dbraw/zinc/38/37/52/569383752.db2.gz IOSIRUUPLUAGQV-HWPZZCPQSA-N -1 1 427.448 3.911 50 0 IHAAMM COc1cc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)cc2c1OCCO2 ZINC000096116694 569383797 /nfs/dbraw/zinc/38/37/97/569383797.db2.gz HQCVEUCMFQVRRG-AUUYWEPGSA-N -1 1 445.541 3.972 50 0 IHAAMM COc1cc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)cc2c1OCO2 ZINC000096117800 569384223 /nfs/dbraw/zinc/38/42/23/569384223.db2.gz HXXFTKCCJGSVND-FZKQIMNGSA-N -1 1 431.514 3.930 50 0 IHAAMM CCOC(=O)c1sc2[n-]c(COC(=O)c3cc4c(s3)CCCC4)nc(=O)c2c1C ZINC000003288611 569444157 /nfs/dbraw/zinc/44/41/57/569444157.db2.gz MIJNYXBWNXFZNH-UHFFFAOYSA-N -1 1 432.523 3.767 50 0 IHAAMM O=C(CSc1nnc2sc3ccccc3n12)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000003393285 569449380 /nfs/dbraw/zinc/44/93/80/569449380.db2.gz SLVSALZHQYHYMX-UHFFFAOYSA-N -1 1 434.449 3.594 50 0 IHAAMM COc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NC[C@@H]2CCCO2)cc1Cl ZINC000067298828 569468086 /nfs/dbraw/zinc/46/80/86/569468086.db2.gz IBWDQKOAMJQWIS-NOAXNCOGSA-N -1 1 428.872 3.942 50 0 IHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCC3(c4ccccc4)CC3)c2)cc1 ZINC000008725699 569472243 /nfs/dbraw/zinc/47/22/43/569472243.db2.gz AOUAEFGGLOSHKF-UHFFFAOYSA-N -1 1 436.533 3.958 50 0 IHAAMM CS(=O)(=O)[N-]c1ccsc1C(=O)O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000040138920 569490752 /nfs/dbraw/zinc/49/07/52/569490752.db2.gz YAOXKGCRKHPJKQ-KRWDZBQOSA-N -1 1 448.497 3.796 50 0 IHAAMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CCC2)cc(OC)c1 ZINC000009152524 569507816 /nfs/dbraw/zinc/50/78/16/569507816.db2.gz XDOXCJNQODPKQB-AWEZNQCLSA-N -1 1 430.526 3.582 50 0 IHAAMM O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000009411768 569531552 /nfs/dbraw/zinc/53/15/52/569531552.db2.gz WEQJQHSAHVRNPB-UHFFFAOYSA-N -1 1 435.505 3.632 50 0 IHAAMM Cc1nn2c(-c3ccc(S(=O)(=O)[N-][C@@H](C)c4ccccc4)o3)nnc2c2ccccc12 ZINC000009452576 569536550 /nfs/dbraw/zinc/53/65/50/569536550.db2.gz PANTWCBZCCPNMM-AWEZNQCLSA-N -1 1 433.493 3.885 50 0 IHAAMM CCOc1ccc(C(=O)Nc2c(N)nc(SCc3ccc(Cl)cc3)[n-]c2=O)cc1 ZINC000009518183 569543981 /nfs/dbraw/zinc/54/39/81/569543981.db2.gz FZEQOBVIZYZRQS-UHFFFAOYSA-N -1 1 430.917 3.949 50 0 IHAAMM O=S(=O)([N-]c1ccc(Cl)c(N2CCCS2(=O)=O)c1)c1ccc2c(c1)CCCC2 ZINC000009569137 569547629 /nfs/dbraw/zinc/54/76/29/569547629.db2.gz GOIDIIHZIXZQJJ-UHFFFAOYSA-N -1 1 440.974 3.560 50 0 IHAAMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)ccc1Br ZINC000009676670 569559493 /nfs/dbraw/zinc/55/94/93/569559493.db2.gz IRBYHEICBYQGDH-UHFFFAOYSA-N -1 1 435.343 3.857 50 0 IHAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3c4ccccc4oc3C(N)=O)c2)cc1 ZINC000009714826 569562885 /nfs/dbraw/zinc/56/28/85/569562885.db2.gz XVWLTZGSLJRRQN-UHFFFAOYSA-N -1 1 449.488 3.893 50 0 IHAAMM CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CCC)cc1 ZINC000008840587 132295712 /nfs/dbraw/zinc/29/57/12/132295712.db2.gz SXLHLXLCPMVHDW-UHFFFAOYSA-N -1 1 429.542 3.915 50 0 IHAAMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@@H](C)S3)c1 ZINC000009406956 132315780 /nfs/dbraw/zinc/31/57/80/132315780.db2.gz COQFZECMLQJJQU-CYBMUJFWSA-N -1 1 434.539 3.511 50 0 IHAAMM C[C@@H](CCc1ccccc1)N1C(=O)[N-]C(=O)[C@]2(Cc3c4ccccc4ccc3N(C)C2)C1=O ZINC000009429908 132316898 /nfs/dbraw/zinc/31/68/98/132316898.db2.gz KRCJJHLFCUIPFY-XRHLQHRESA-N -1 1 441.531 3.918 50 0 IHAAMM C[C@H](CCc1ccccc1)N1C(=O)[N-]C(=O)[C@]2(Cc3c4ccccc4ccc3N(C)C2)C1=O ZINC000009429909 132316937 /nfs/dbraw/zinc/31/69/37/132316937.db2.gz KRCJJHLFCUIPFY-DNOBIOAJSA-N -1 1 441.531 3.918 50 0 IHAAMM CCCCCN1C(=O)[N-]C(=O)[C@@]2(Cc3cc4cc(C)ccc4nc3N3CCCC[C@@H]32)C1=O ZINC000013576782 132350917 /nfs/dbraw/zinc/35/09/17/132350917.db2.gz KMGLCUSCTIDFPJ-NLFFAJNJSA-N -1 1 434.540 3.713 50 0 IHAAMM CCOc1ccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)Nc3cc(C)cc(C)c3)n2)cc1 ZINC000015732592 520821920 /nfs/dbraw/zinc/82/19/20/520821920.db2.gz OCAPFHMKCYMLJM-UHFFFAOYSA-N -1 1 449.536 3.831 50 0 IHAAMM CCOc1ccc(-c2nc([O-])c(CC(=O)Nc3cccc(C(C)=O)c3)s2)cc1OC ZINC000035685022 520929611 /nfs/dbraw/zinc/92/96/11/520929611.db2.gz FNNLZPBARDTBRJ-LJQANCHMSA-N -1 1 426.494 3.714 50 0 IHAAMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 ZINC000012741918 523175445 /nfs/dbraw/zinc/17/54/45/523175445.db2.gz IPQDQBBPBXUYIJ-UHFFFAOYSA-N -1 1 437.525 3.690 50 0 IHAAMM COc1ccc(-c2noc(CSc3nc(-c4ccc(F)cc4)cc(=O)[n-]3)n2)c(OC)c1 ZINC000012415004 523295376 /nfs/dbraw/zinc/29/53/76/523295376.db2.gz WHHHXIJCQUPCCF-UHFFFAOYSA-N -1 1 440.456 3.936 50 0 IHAAMM COCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000012557110 524043303 /nfs/dbraw/zinc/04/33/03/524043303.db2.gz YKBUGIUOQJDAHJ-UHFFFAOYSA-N -1 1 447.431 3.846 50 0 IHAAMM Cc1ccc(-c2nc3scc(CC[N-]S(=O)(=O)c4cc(F)ccc4F)n3n2)cc1 ZINC000020614905 525826887 /nfs/dbraw/zinc/82/68/87/525826887.db2.gz GHFYQZPZUNIBQF-UHFFFAOYSA-N -1 1 434.493 3.565 50 0 IHAAMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])c1ccccc1SC(F)F ZINC000012824757 527130558 /nfs/dbraw/zinc/13/05/58/527130558.db2.gz ZGWSRFBPECBIOL-UHFFFAOYSA-N -1 1 428.482 3.744 50 0 IHAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)OCC(=O)c1ccccc1 ZINC000022034772 527237201 /nfs/dbraw/zinc/23/72/01/527237201.db2.gz WLDQSPPSBVXHMP-UHFFFAOYSA-N -1 1 427.453 3.595 50 0 IHAAMM Cc1ccccc1C(=O)NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000001117820 555635492 /nfs/dbraw/zinc/63/54/92/555635492.db2.gz UAHRAEMIXGZROX-UHFFFAOYSA-N -1 1 425.535 3.923 50 0 IHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000001196368 555676611 /nfs/dbraw/zinc/67/66/11/555676611.db2.gz SKTWWAAPHCGFQY-UHFFFAOYSA-N -1 1 437.926 3.982 50 0 IHAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)O[C@@H](C)C(=O)NC3CCCC3)c2)c1 ZINC000010191092 555691917 /nfs/dbraw/zinc/69/19/17/555691917.db2.gz MRIOFGCQAXODQT-KRWDZBQOSA-N -1 1 444.553 3.708 50 0 IHAAMM Cc1oc2c(cc3c(C)c(CC(=O)Nc4nnn[n-]4)c(=O)oc3c2C)c1-c1ccccc1 ZINC000013689831 556278984 /nfs/dbraw/zinc/27/89/84/556278984.db2.gz CKFYXUVOEVMXSM-UHFFFAOYSA-N -1 1 429.436 3.826 50 0 IHAAMM Cc1oc2c(cc3c(C)c(CC(=O)Nc4nn[n-]n4)c(=O)oc3c2C)c1-c1ccccc1 ZINC000013689831 556278986 /nfs/dbraw/zinc/27/89/86/556278986.db2.gz CKFYXUVOEVMXSM-UHFFFAOYSA-N -1 1 429.436 3.826 50 0 IHAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1ccc2c(c1)CCO2 ZINC000032795964 556358208 /nfs/dbraw/zinc/35/82/08/556358208.db2.gz IIKCFYWKBGDFCV-UHFFFAOYSA-N -1 1 430.432 3.953 50 0 IHAAMM CCOc1ccc2nc(Nc3nc(CSc4nnc(C)s4)cc(=O)[n-]3)nc(C)c2c1 ZINC000015978607 556570677 /nfs/dbraw/zinc/57/06/77/556570677.db2.gz SFHLJUONCMCFPX-UHFFFAOYSA-N -1 1 441.542 3.616 50 0 IHAAMM Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000032975673 556600367 /nfs/dbraw/zinc/60/03/67/556600367.db2.gz CVBXQQOMGSSPCH-IAGOWNOFSA-N -1 1 448.491 3.749 50 0 IHAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)c(C)c1 ZINC000017100723 556665662 /nfs/dbraw/zinc/66/56/62/556665662.db2.gz OYPVISZIAWUTDJ-GOSISDBHSA-N -1 1 436.599 3.976 50 0 IHAAMM O=C(CCc1ccccc1)Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[n-]1)CCCC2 ZINC000012010470 556680944 /nfs/dbraw/zinc/68/09/44/556680944.db2.gz FFLDGWMQAOFLQB-UHFFFAOYSA-N -1 1 429.480 3.666 50 0 IHAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2ccco2)CC3)cc1C ZINC000013696617 556712501 /nfs/dbraw/zinc/71/25/01/556712501.db2.gz MWPMJKVEAWTDPK-UHFFFAOYSA-N -1 1 426.494 3.990 50 0 IHAAMM COc1cccc(C(=O)COC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)c1 ZINC000011149681 556731083 /nfs/dbraw/zinc/73/10/83/556731083.db2.gz IASCOHZUZXQBCJ-UHFFFAOYSA-N -1 1 439.489 3.844 50 0 IHAAMM O=C(Cc1cc(=O)[n-]c(SCc2ccccc2F)n1)NCCc1c[nH]c2ccccc12 ZINC000023138330 557021338 /nfs/dbraw/zinc/02/13/38/557021338.db2.gz BXBYWDNLWATCNJ-UHFFFAOYSA-N -1 1 436.512 3.996 50 0 IHAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=C2CCCC2)C(=O)N3C)cc1OC ZINC000046054011 557027445 /nfs/dbraw/zinc/02/74/45/557027445.db2.gz PUUSCRQLWFSDBC-UHFFFAOYSA-N -1 1 428.510 3.809 50 0 IHAAMM Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)Nc3nc(SCCc4ccccc4)[n-]c(=O)c32)c1 ZINC000046074352 557030683 /nfs/dbraw/zinc/03/06/83/557030683.db2.gz KDVKJYVNLACNCA-SFHVURJKSA-N -1 1 448.548 3.786 50 0 IHAAMM CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(SCc3ccccc3C)[n-]c(=O)c21 ZINC000046074719 557030987 /nfs/dbraw/zinc/03/09/87/557030987.db2.gz HDYIMMPTMXJNPL-KRWDZBQOSA-N -1 1 448.548 3.998 50 0 IHAAMM Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)cc1 ZINC000046074683 557031027 /nfs/dbraw/zinc/03/10/27/557031027.db2.gz HMCKKDFLHSSGSM-KRWDZBQOSA-N -1 1 434.521 3.744 50 0 IHAAMM Cc1ccccc1CSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc(F)cc1)CC(=O)N2 ZINC000046074710 557031099 /nfs/dbraw/zinc/03/10/99/557031099.db2.gz LPTVJRYGMGPBLS-INIZCTEOSA-N -1 1 438.484 3.574 50 0 IHAAMM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)nc(-c2ccc(C(=O)NC)cc2)n3C)cc1 ZINC000033277001 557057914 /nfs/dbraw/zinc/05/79/14/557057914.db2.gz AHNBHFHZQOUTQG-UHFFFAOYSA-N -1 1 448.548 3.963 50 0 IHAAMM O=C([O-])c1cccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c21 ZINC000585141346 557084669 /nfs/dbraw/zinc/08/46/69/557084669.db2.gz TVJPOHSEGKNADC-CCKFTAQKSA-N -1 1 425.510 3.956 50 0 IHAAMM COc1ccc(NC(=O)Cn2c(C)cc(-c3csc(C)n3)c2C)cc1[N-]S(C)(=O)=O ZINC000025599983 557218359 /nfs/dbraw/zinc/21/83/59/557218359.db2.gz LZRYGIZRAZOQMZ-UHFFFAOYSA-N -1 1 448.570 3.556 50 0 IHAAMM Cc1cc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)[C@@H]3C)ccc1Br ZINC000101079135 557226617 /nfs/dbraw/zinc/22/66/17/557226617.db2.gz SBAVBCUGTKLDCP-GFCCVEGCSA-N -1 1 435.343 3.955 50 0 IHAAMM O=C(CSc1nc2c(c(=O)[n-]1)CN(Cc1ccc(F)cc1)CC2)Nc1cccc(F)c1 ZINC000018098696 557236644 /nfs/dbraw/zinc/23/66/44/557236644.db2.gz VZUUZYBZJYGGGR-UHFFFAOYSA-N -1 1 442.491 3.750 50 0 IHAAMM COCCOc1cc([N-]S(=O)(=O)c2ccc(C)cc2Br)ccc1OC ZINC000024955504 557266634 /nfs/dbraw/zinc/26/66/34/557266634.db2.gz ZKANGDAFLVFQHT-UHFFFAOYSA-N -1 1 430.320 3.592 50 0 IHAAMM Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000101628314 557292987 /nfs/dbraw/zinc/29/29/87/557292987.db2.gz YXMVUTFPQUPCJP-OALUTQOASA-N -1 1 430.501 3.610 50 0 IHAAMM CCN(CC)c1nc([O-])c(CC(=O)Nc2cccc(C(=O)Nc3ccc(F)cc3)c2)s1 ZINC000014202036 557317640 /nfs/dbraw/zinc/31/76/40/557317640.db2.gz UQFFSVSUPOWGCZ-SFHVURJKSA-N -1 1 442.516 3.746 50 0 IHAAMM Cc1ccc(C)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)c1 ZINC000024977371 557347053 /nfs/dbraw/zinc/34/70/53/557347053.db2.gz VESRTQBCPMAGJI-UHFFFAOYSA-N -1 1 436.493 3.526 50 0 IHAAMM C[C@@H]1c2cc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)cc3c2N(CCC3)C1=O ZINC000102592172 557356865 /nfs/dbraw/zinc/35/68/65/557356865.db2.gz RIDRKFPZYYEMAQ-LLVKDONJSA-N -1 1 426.416 3.782 50 0 IHAAMM COc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)c2)nn1 ZINC000011694199 557393017 /nfs/dbraw/zinc/39/30/17/557393017.db2.gz PAGZRJNOGPWPLP-UHFFFAOYSA-N -1 1 440.525 3.856 50 0 IHAAMM CCOC(=O)C(=C([O-])CSc1nnc(C2CC2)n1-c1ccccc1)c1nc(C)cs1 ZINC000102814705 557393400 /nfs/dbraw/zinc/39/34/00/557393400.db2.gz YMHBIBKCLVKNCL-KRWDZBQOSA-N -1 1 442.566 3.918 50 0 IHAAMM CCOC(=O)C(=C([O-])CSc1nnc2sc3ccccc3n12)c1nc(C)cs1 ZINC000103034762 557416025 /nfs/dbraw/zinc/41/60/25/557416025.db2.gz PHLMOYVURVJQHY-AWEZNQCLSA-N -1 1 432.552 3.717 50 0 IHAAMM CC(C)C[C@H](O)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000084509809 568798393 /nfs/dbraw/zinc/79/83/93/568798393.db2.gz NZMIWRUXNSPTIV-HNNXBMFYSA-N -1 1 445.368 3.931 50 0 IHAAMM Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2ccccc2)nc2cc(=O)[n-]n21 ZINC000015732593 568815438 /nfs/dbraw/zinc/81/54/38/568815438.db2.gz WDXCTOSRLSUOOP-UHFFFAOYSA-N -1 1 425.901 3.777 50 0 IHAAMM CCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3c(C)c(C)cc(C)c3C)cc21 ZINC000015781471 568825949 /nfs/dbraw/zinc/82/59/49/568825949.db2.gz JPSIIHXKQOAYQY-UHFFFAOYSA-N -1 1 436.599 3.823 50 0 IHAAMM CCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(NC(=O)CC)cc3)ccc2s1 ZINC000015870047 568851505 /nfs/dbraw/zinc/85/15/05/568851505.db2.gz QDVLZCCEJNXAMR-UHFFFAOYSA-N -1 1 432.527 3.794 50 0 IHAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C(C)C)cc1OC ZINC000065020959 569088693 /nfs/dbraw/zinc/08/86/93/569088693.db2.gz WWVQHFFXVZMTOU-UHFFFAOYSA-N -1 1 432.542 3.785 50 0 IHAAMM Cc1ccc(-c2noc(C(=O)N3CCCCC3)n2)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000065318928 569134591 /nfs/dbraw/zinc/13/45/91/569134591.db2.gz FEODJFNCSJREQL-UHFFFAOYSA-N -1 1 444.488 3.611 50 0 IHAAMM Cc1ccccc1[N-]S(=O)(=O)c1cc(-c2noc(C(=O)N3CCCCC3)n2)ccc1C ZINC000065318937 569134672 /nfs/dbraw/zinc/13/46/72/569134672.db2.gz KCCHOAQISSKMOM-UHFFFAOYSA-N -1 1 440.525 3.780 50 0 IHAAMM O=C([O-])c1cccc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)c1 ZINC000170601020 569142739 /nfs/dbraw/zinc/14/27/39/569142739.db2.gz DLENAGDCUFNLNX-INIZCTEOSA-N -1 1 425.890 3.787 50 0 IHAAMM Cc1ccccc1C[NH+]1CCN(C(=O)CCn2c(=S)[nH]nc2-c2cccs2)CC1 ZINC000014245503 569158220 /nfs/dbraw/zinc/15/82/20/569158220.db2.gz LBLGUFAWMRHUDN-UHFFFAOYSA-N -1 1 427.599 3.712 50 0 IHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCC4)nn3)cc2)cc1OC ZINC000016838840 569162862 /nfs/dbraw/zinc/16/28/62/569162862.db2.gz CHPKMCYHWPABRK-UHFFFAOYSA-N -1 1 440.525 3.562 50 0 IHAAMM O=S(=O)([N-]Cc1cc(-c2ccccc2)no1)c1cc(Br)cnc1Cl ZINC000089851139 569166199 /nfs/dbraw/zinc/16/61/99/569166199.db2.gz FUUPPWFQOAMKQX-UHFFFAOYSA-N -1 1 428.695 3.631 50 0 IHAAMM CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)c3cc(Br)ccc3[O-])C2)C1 ZINC000095943414 569375656 /nfs/dbraw/zinc/37/56/56/569375656.db2.gz PHWMCRHVSSYRAZ-LJQANCHMSA-N -1 1 425.323 3.628 50 0 IHAAMM COC(=O)C[C@H](c1c(Cc2ccccc2)[n-][nH]c1=O)c1coc2ccc(OC)cc2c1=O ZINC000096115733 569383473 /nfs/dbraw/zinc/38/34/73/569383473.db2.gz GVZCIAVPWPHTRP-INIZCTEOSA-N -1 1 434.448 3.516 50 0 biogenic IHAAMM O=c1cc2c(c3oc(-c4ccccc4)cc([O-])c1-3)[C@@H](c1cnn3cccnc13)CC(=O)O2 ZINC000096115714 569383504 /nfs/dbraw/zinc/38/35/04/569383504.db2.gz SGQHNJWAHJFAPT-CQSZACIVSA-N -1 1 425.400 3.649 50 0 biogenic IHAAMM COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)cc2c1OCO2 ZINC000096117798 569384247 /nfs/dbraw/zinc/38/42/47/569384247.db2.gz HXXFTKCCJGSVND-ACJLOTCBSA-N -1 1 431.514 3.930 50 0 IHAAMM COC(=O)C[C@@H](c1c(=O)[nH][n-]c1Cc1cc(F)c(F)cc1F)c1ccc(OC)c(O)c1 ZINC000096231226 569387421 /nfs/dbraw/zinc/38/74/21/569387421.db2.gz HWNIEKIWLBUOQM-GFCCVEGCSA-N -1 1 436.386 3.533 50 0 IHAAMM CC(C)(C)N1C(=O)[N-]C(=O)[C@@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@H]32)C1=O ZINC000230033323 569418165 /nfs/dbraw/zinc/41/81/65/569418165.db2.gz LRHWXLHDLZFPIW-CPJSRVTESA-N -1 1 432.524 3.642 50 0 IHAAMM COc1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cc1OC ZINC000003262076 569443327 /nfs/dbraw/zinc/44/33/27/569443327.db2.gz PYSWMRQKRSYJNB-UHFFFAOYSA-N -1 1 430.457 3.896 50 0 IHAAMM CC(C)c1noc([C@@H](C)[N-]S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)cs2)n1 ZINC000670444418 569451189 /nfs/dbraw/zinc/45/11/89/569451189.db2.gz ZJNOGWVITVLZGD-MRVPVSSYSA-N -1 1 436.437 3.968 50 0 IHAAMM CN(C(=O)CSc1nc2c(c(=O)[n-]1)CN(Cc1ccc(F)cc1)CC2)c1ccccc1 ZINC000067291543 569467660 /nfs/dbraw/zinc/46/76/60/569467660.db2.gz GHSMAQWXXQQOPR-UHFFFAOYSA-N -1 1 438.528 3.635 50 0 IHAAMM O=C(Nc1nccs1)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000008833731 569477885 /nfs/dbraw/zinc/47/78/85/569477885.db2.gz GCVAMKAOCSRPJS-UHFFFAOYSA-N -1 1 438.328 3.959 50 0 IHAAMM O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)Nc1ccc2c(c1)OCCO2 ZINC000008879609 569481388 /nfs/dbraw/zinc/48/13/88/569481388.db2.gz DHCIEUSCHKFCEO-UHFFFAOYSA-N -1 1 445.427 3.954 50 0 biogenic IHAAMM O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)Nc1ccc2c(c1)OCCO2 ZINC000008879609 569481389 /nfs/dbraw/zinc/48/13/89/569481389.db2.gz DHCIEUSCHKFCEO-UHFFFAOYSA-N -1 1 445.427 3.954 50 0 biogenic IHAAMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3ccc(F)cc3)c2)cc1 ZINC000009283330 569518866 /nfs/dbraw/zinc/51/88/66/569518866.db2.gz DGIJXFWIRMQNKP-UHFFFAOYSA-N -1 1 428.485 3.955 50 0 IHAAMM COc1cccc(-c2nc3c(c(=O)[n-]2)Cc2cc(Br)cc(OC)c2O3)c1OC ZINC000009290437 569519749 /nfs/dbraw/zinc/51/97/49/569519749.db2.gz ZPDZPHRLVRQPFJ-UHFFFAOYSA-N -1 1 445.269 3.922 50 0 IHAAMM CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC3=NCCS3)ccc2C)cc1 ZINC000009339503 569523759 /nfs/dbraw/zinc/52/37/59/569523759.db2.gz BJXPQRGQCSARLW-UHFFFAOYSA-N -1 1 431.583 3.971 50 0 IHAAMM Cc1ccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)Nc3ccccc3Cl)n2)cc1 ZINC000009640678 569555466 /nfs/dbraw/zinc/55/54/66/569555466.db2.gz IZPGYBWULVPLJM-UHFFFAOYSA-N -1 1 425.901 3.777 50 0 IHAAMM Cc1ccccc1NC(=O)CSc1nc(-c2cccc(Cl)c2)nc2cc(=O)[n-]n21 ZINC000009641459 569555673 /nfs/dbraw/zinc/55/56/73/569555673.db2.gz DAVAKPBMLLWKCM-UHFFFAOYSA-N -1 1 425.901 3.777 50 0 IHAAMM O=C(Nc1ccccc1N1CCCC1=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000009669665 569558089 /nfs/dbraw/zinc/55/80/89/569558089.db2.gz KVAJFKNCDFLYPU-UHFFFAOYSA-N -1 1 435.505 3.867 50 0 IHAAMM Cc1cc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)[C@H]3C)ccc1Br ZINC000009708644 569561971 /nfs/dbraw/zinc/56/19/71/569561971.db2.gz SBAVBCUGTKLDCP-LBPRGKRZSA-N -1 1 435.343 3.955 50 0 IHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1F ZINC000009715069 569562997 /nfs/dbraw/zinc/56/29/97/569562997.db2.gz JYSCEKOEBGCARS-UHFFFAOYSA-N -1 1 439.468 3.643 50 0 IHAAMM Cc1nc2ccccc2c(=O)n1-c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000010186585 569578406 /nfs/dbraw/zinc/57/84/06/569578406.db2.gz HYUQCVRDZORXOA-UHFFFAOYSA-N -1 1 445.422 3.912 50 0 IHAAMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@@H](C)S3)cc1 ZINC000009406960 132315803 /nfs/dbraw/zinc/31/58/03/132315803.db2.gz KZKQZYDCPHOGRV-CYBMUJFWSA-N -1 1 434.539 3.511 50 0 IHAAMM CCOC(=O)C1CCN([C@H](c2sc3nc(CC)nn3c2[O-])c2cccc(F)c2)CC1 ZINC000022853485 520582218 /nfs/dbraw/zinc/58/22/18/520582218.db2.gz AOEIHJUPVRUWDN-KRWDZBQOSA-N -1 1 432.521 3.562 50 0 IHAAMM CCOCCCNC(=O)Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000012584551 521711010 /nfs/dbraw/zinc/71/10/10/521711010.db2.gz NJMHAQDAKOKIJF-UHFFFAOYSA-N -1 1 445.368 3.880 50 0 IHAAMM CCc1nc2sc([C@@H](c3ccccc3Cl)N3CCC(C(=O)OC)CC3)c([O-])n2n1 ZINC000022853588 522536550 /nfs/dbraw/zinc/53/65/50/522536550.db2.gz GVBFJLQNHSKMGR-MRXNPFEDSA-N -1 1 434.949 3.687 50 0 IHAAMM COc1cc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)ccc1N1CCCC1=O ZINC000012508616 522753057 /nfs/dbraw/zinc/75/30/57/522753057.db2.gz YCUKTOHFTOICFQ-UHFFFAOYSA-N -1 1 439.331 3.694 50 0 IHAAMM Cc1ccc(F)c(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c2)c1 ZINC000012560648 524824491 /nfs/dbraw/zinc/82/44/91/524824491.db2.gz XNZVYIMYOMJFRE-UHFFFAOYSA-N -1 1 428.441 3.916 50 0 IHAAMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(-c2n[nH]c(=O)c3c2CCCC3)ccc1C ZINC000021785716 524995672 /nfs/dbraw/zinc/99/56/72/524995672.db2.gz AYKOEVDHNZBGHS-UHFFFAOYSA-N -1 1 427.501 3.872 50 0 IHAAMM COc1ccc2nc(-c3ccc(C)c([N-]S(=O)(=O)c4ccc(OC)c(F)c4)c3)cn2n1 ZINC000012441328 525654720 /nfs/dbraw/zinc/65/47/20/525654720.db2.gz CHMIMHFYSIASQQ-UHFFFAOYSA-N -1 1 442.472 3.662 50 0 IHAAMM Cc1cc2nc(CSc3ccccc3[N-]S(=O)(=O)c3ccccc3C)cc(=O)n2o1 ZINC000041089677 525675674 /nfs/dbraw/zinc/67/56/74/525675674.db2.gz QHIVNMXCEJUFSB-UHFFFAOYSA-N -1 1 441.534 3.997 50 0 IHAAMM O=C(NCCOc1ccc(Cl)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000020530120 526356280 /nfs/dbraw/zinc/35/62/80/526356280.db2.gz MVRSIVVLGHBCBH-UHFFFAOYSA-N -1 1 430.913 3.950 50 0 IHAAMM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc(F)c(C(F)(F)F)c3)cc3c2N1CCC3 ZINC000012342529 526999400 /nfs/dbraw/zinc/99/94/00/526999400.db2.gz 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CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OC)c(OC)c1)C(C(=O)OCC)=C(C)N2 ZINC000008768863 569474999 /nfs/dbraw/zinc/47/49/99/569474999.db2.gz GUAJVEMSZQGCBA-KRWDZBQOSA-N -1 1 445.541 3.684 50 0 IHAAMM COCCOC(=O)c1c(C)oc2cc(C)c([N-]S(=O)(=O)c3ccc(OC)cc3)cc21 ZINC000008870355 569480518 /nfs/dbraw/zinc/48/05/18/569480518.db2.gz BZZWUEFFCPNSNK-UHFFFAOYSA-N -1 1 433.482 3.662 50 0 IHAAMM CC(=O)N1c2cc(S(=O)(=O)[N-]c3cc(F)ccc3F)c(Br)cc2C[C@@H]1C ZINC000040450559 569506331 /nfs/dbraw/zinc/50/63/31/569506331.db2.gz AFISXOYUVXUDJK-VIFPVBQESA-N -1 1 445.285 3.826 50 0 IHAAMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3)c(C)c1 ZINC000009169018 569509153 /nfs/dbraw/zinc/50/91/53/569509153.db2.gz FOJBSDWAUDLFGM-UHFFFAOYSA-N -1 1 431.514 3.501 50 0 IHAAMM CCCN1c2cc([N-]S(=O)(=O)c3ccc(OC)c(F)c3)ccc2OCC(C)(C)C1=O ZINC000009171943 569509449 /nfs/dbraw/zinc/50/94/49/569509449.db2.gz MJXIGBMTZDDBLY-UHFFFAOYSA-N -1 1 436.505 3.797 50 0 IHAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cc1C(=O)N1CCCCCC1 ZINC000009356168 569525448 /nfs/dbraw/zinc/52/54/48/569525448.db2.gz SLLCLPPURPWOOZ-UHFFFAOYSA-N -1 1 430.526 3.715 50 0 IHAAMM CCOC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)ccc2C)CC1 ZINC000009373611 569527026 /nfs/dbraw/zinc/52/70/26/569527026.db2.gz IHUJLPJGNBSDOG-UHFFFAOYSA-N -1 1 444.553 3.520 50 0 IHAAMM CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[n-]c(=O)c2[C@H]1c1ccncc1 ZINC000009393859 569529077 /nfs/dbraw/zinc/52/90/77/569529077.db2.gz MYQDLIZCPBVCTE-SFHVURJKSA-N -1 1 434.521 3.852 50 0 IHAAMM COc1cc([C@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[n-]c(=O)c32)ccc1O ZINC000009451781 569536451 /nfs/dbraw/zinc/53/64/51/569536451.db2.gz DMBQUZYODGZJON-CQSZACIVSA-N -1 1 443.912 3.904 50 0 IHAAMM O=C(CSc1nc(-c2ccccc2)nc2cc(=O)[n-]n21)Nc1ccc(F)c(Cl)c1 ZINC000009641545 569555747 /nfs/dbraw/zinc/55/57/47/569555747.db2.gz GFGQTBOEVZGEGU-UHFFFAOYSA-N -1 1 429.864 3.608 50 0 IHAAMM CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000010514137 569582673 /nfs/dbraw/zinc/58/26/73/569582673.db2.gz RMNVKSKVLDKVIZ-UHFFFAOYSA-N -1 1 439.603 3.648 50 0 IHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(S(=O)(=O)c2cccs2)CCC3)cc1 ZINC000009708672 132236889 /nfs/dbraw/zinc/23/68/89/132236889.db2.gz DHDPYMYHOODPNH-UHFFFAOYSA-N -1 1 448.591 3.999 50 0 IHAAMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc4c(c3)OC3(CCCC3)O4)ccc21 ZINC000009465689 132318366 /nfs/dbraw/zinc/31/83/66/132318366.db2.gz KZUOLZIBELBAOF-UHFFFAOYSA-N -1 1 428.510 3.828 50 0 IHAAMM Cc1ccc2nc3c(cc2c1)C[C@@]1(C(=O)[N-]C(=O)N(C2CCCCC2)C1=O)[C@@H]1CCCCN31 ZINC000013591217 132351313 /nfs/dbraw/zinc/35/13/13/132351313.db2.gz HNRZMLRLNGETIV-LVXARBLLSA-N -1 1 446.551 3.856 50 0 IHAAMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000013679719 132353242 /nfs/dbraw/zinc/35/32/42/132353242.db2.gz UIIOYQNOKGCJTL-UHFFFAOYSA-N -1 1 435.549 3.758 50 0 IHAAMM CC(=O)N1CCSc2ccc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)cc21 ZINC000020509120 519604798 /nfs/dbraw/zinc/60/47/98/519604798.db2.gz AMMKQHHOQXLXLJ-UHFFFAOYSA-N -1 1 432.445 3.845 50 0 IHAAMM CCOc1ccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)Nc3cccc(C)c3)n2)cc1 ZINC000021537356 520822516 /nfs/dbraw/zinc/82/25/16/520822516.db2.gz GVEYJWXGMOPEKH-UHFFFAOYSA-N -1 1 435.509 3.523 50 0 IHAAMM COc1ccc(-c2nc3c(c(=O)[n-]2)Cc2cc(Br)cc(OC)c2O3)cc1OC ZINC000020467728 523224408 /nfs/dbraw/zinc/22/44/08/523224408.db2.gz YGQPEZOVPCDUMJ-UHFFFAOYSA-N -1 1 445.269 3.922 50 0 IHAAMM Cc1nc2[n-]c(N(Cc3ccc(Cl)cc3)C(=O)c3ccccc3F)nn2c(=O)c1C ZINC000021807023 525448252 /nfs/dbraw/zinc/44/82/52/525448252.db2.gz VZCVXLGGAQRNDL-UHFFFAOYSA-N -1 1 425.851 3.674 50 0 IHAAMM Cc1nn2c(c1-c1ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c1)NC(=O)CCC2=O ZINC000033123069 526310119 /nfs/dbraw/zinc/31/01/19/526310119.db2.gz SVJJYAHLGDWJOF-UHFFFAOYSA-N -1 1 438.509 3.649 50 0 IHAAMM O=C([O-])[C@H](c1c[nH]c2ccc(Br)cc21)N1CCN(Cc2ccccc2)CC1 ZINC000020745512 526315689 /nfs/dbraw/zinc/31/56/89/526315689.db2.gz KTSPEILLNYPFJP-FQEVSTJZSA-N -1 1 428.330 3.874 50 0 IHAAMM CN(Cc1ccco1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009319724 555555160 /nfs/dbraw/zinc/55/51/60/555555160.db2.gz REKMPGJRBKOQQP-UHFFFAOYSA-N -1 1 442.493 3.514 50 0 IHAAMM CC(=O)NCc1ccc(S(=O)(=O)[N-]c2cccc(COc3cccc(F)c3)c2)cc1 ZINC000032596840 556408045 /nfs/dbraw/zinc/40/80/45/556408045.db2.gz AJTWISAFZRBTPB-UHFFFAOYSA-N -1 1 428.485 3.842 50 0 IHAAMM CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc(C(=O)OCC)c1 ZINC000014253467 556410177 /nfs/dbraw/zinc/41/01/77/556410177.db2.gz MDJGETFDNACEPL-UHFFFAOYSA-N -1 1 427.478 3.994 50 0 IHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OC[C@@H]3CC3(Cl)Cl)c2)cc1 ZINC000014852037 556450169 /nfs/dbraw/zinc/45/01/69/556450169.db2.gz NKULYVHHCHWLOD-ZDUSSCGKSA-N -1 1 430.309 3.847 50 0 IHAAMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)N1CCn2c3ccccc3nc21 ZINC000029377104 556473735 /nfs/dbraw/zinc/47/37/35/556473735.db2.gz DIYUUZHFJSJUTD-UHFFFAOYSA-N -1 1 436.468 3.637 50 0 IHAAMM Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)CSCc2ccccc2)[n-]c(=O)c1C ZINC000012008336 556680997 /nfs/dbraw/zinc/68/09/97/556680997.db2.gz APMRJNYOFDTBBZ-UHFFFAOYSA-N -1 1 435.509 3.704 50 0 IHAAMM C[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000002105774 556798874 /nfs/dbraw/zinc/79/88/74/556798874.db2.gz NESXMZAOHRXWFC-ZDUSSCGKSA-N -1 1 425.437 3.984 50 0 biogenic IHAAMM C[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000002105774 556798878 /nfs/dbraw/zinc/79/88/78/556798878.db2.gz NESXMZAOHRXWFC-ZDUSSCGKSA-N -1 1 425.437 3.984 50 0 biogenic IHAAMM Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000060381050 556812484 /nfs/dbraw/zinc/81/24/84/556812484.db2.gz PFUAATDAOLKSAE-UHFFFAOYSA-N -1 1 435.790 3.583 50 0 IHAAMM COc1ccc(-c2cnn3c2nc(C)cc3C)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000033171406 556882286 /nfs/dbraw/zinc/88/22/86/556882286.db2.gz ZQQVCLWFGKURTL-UHFFFAOYSA-N -1 1 426.473 3.962 50 0 IHAAMM Cc1nc(S[C@@H](C)c2ccccc2)[n-]c(=O)c1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000023138674 557021970 /nfs/dbraw/zinc/02/19/70/557021970.db2.gz XDMGKNLEHNFDCK-HNNXBMFYSA-N -1 1 437.521 3.519 50 0 IHAAMM CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)cc1 ZINC000046074726 557030954 /nfs/dbraw/zinc/03/09/54/557030954.db2.gz BNDLFGWPWJTOQQ-SFHVURJKSA-N -1 1 448.548 3.998 50 0 IHAAMM Cc1cccc(CSc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccccc2C)CC(=O)N3)c1 ZINC000046074778 557031185 /nfs/dbraw/zinc/03/11/85/557031185.db2.gz HIHMFGORTLOSEG-INIZCTEOSA-N -1 1 434.521 3.744 50 0 IHAAMM Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccccc2F)CC(=O)N3)cc1 ZINC000046074941 557031526 /nfs/dbraw/zinc/03/15/26/557031526.db2.gz AKWWYLHVPCTPPI-CQSZACIVSA-N -1 1 438.484 3.574 50 0 IHAAMM Cc1ccc(F)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(SCc3ccccc3)[n-]c(=O)c21 ZINC000046075711 557032416 /nfs/dbraw/zinc/03/24/16/557032416.db2.gz ZYPXNNAYZNADAM-OAHLLOKOSA-N -1 1 438.484 3.574 50 0 IHAAMM CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)NC3CCCC3)[n-]c2=O)cc1 ZINC000017271338 557049066 /nfs/dbraw/zinc/04/90/66/557049066.db2.gz IBCANPTYHBTHQM-UHFFFAOYSA-N -1 1 449.598 3.509 50 0 IHAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCO[C@@H]4CCCC[C@@H]43)c2)c1 ZINC000048273858 557051036 /nfs/dbraw/zinc/05/10/36/557051036.db2.gz WFASWMWVVWLQDL-LEWJYISDSA-N -1 1 428.554 3.888 50 0 IHAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)COc2ccc(C(C)(C)C)cc2)c1 ZINC000023055103 557060420 /nfs/dbraw/zinc/06/04/20/557060420.db2.gz YCQIAZSLDJRWCJ-UHFFFAOYSA-N -1 1 434.558 3.738 50 0 IHAAMM O=c1[n-]c(N2CCN(Cc3ccccc3)CC2)nnc1Cc1ccc(Cl)c(Cl)c1 ZINC000023409455 557091044 /nfs/dbraw/zinc/09/10/44/557091044.db2.gz OZUIVGZYMUAUCJ-UHFFFAOYSA-N -1 1 430.339 3.797 50 0 IHAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(NC(N)=O)cc3)c2)cc1F ZINC000025885005 557229133 /nfs/dbraw/zinc/22/91/33/557229133.db2.gz IIDFCXFYMSXAFW-UHFFFAOYSA-N -1 1 442.472 3.678 50 0 IHAAMM O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000026990899 557253553 /nfs/dbraw/zinc/25/35/53/557253553.db2.gz OMWCATZHTFSCFD-UHFFFAOYSA-N -1 1 435.505 3.632 50 0 IHAAMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(=O)NC3CC3)c2)cc1 ZINC000026986687 557253673 /nfs/dbraw/zinc/25/36/73/557253673.db2.gz ZROQOLYFDLNUDB-UHFFFAOYSA-N -1 1 449.532 3.940 50 0 IHAAMM Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3ccc4nnc(-c5ccccn5)n4n3)cc2)c1 ZINC000011665569 557284491 /nfs/dbraw/zinc/28/44/91/557284491.db2.gz PXGDTVYCNCQPFC-UHFFFAOYSA-N -1 1 442.504 3.963 50 0 IHAAMM Cc1cccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccc2C)c1 ZINC000101628864 557291650 /nfs/dbraw/zinc/29/16/50/557291650.db2.gz GUDBYCQZESQLJY-BGYRXZFFSA-N -1 1 426.538 3.779 50 0 IHAAMM CN(CCOc1ccccc1)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000014245332 557329472 /nfs/dbraw/zinc/32/94/72/557329472.db2.gz NEJTYLBPCUVMMG-UHFFFAOYSA-N -1 1 428.485 3.778 50 0 IHAAMM CCN(CC)C(=O)CSc1nc(=O)c(Cc2ccccc2)c([O-])n1-c1ccccc1C ZINC000102494776 557335696 /nfs/dbraw/zinc/33/56/96/557335696.db2.gz FTEBNEOTQMQNPS-UHFFFAOYSA-N -1 1 437.565 3.798 50 0 IHAAMM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000102724237 557369646 /nfs/dbraw/zinc/36/96/46/557369646.db2.gz VZAFSPQRRKUHIT-DNVJHFABSA-N -1 1 430.460 3.760 50 0 IHAAMM CCOC(=O)C(=C([O-])CSc1nnc(-c2cccs2)n1CC)c1nc(C)cs1 ZINC000102898731 557411468 /nfs/dbraw/zinc/41/14/68/557411468.db2.gz HSFSCBRMPLOWTC-AWEZNQCLSA-N -1 1 436.584 3.800 50 0 IHAAMM CCOC(=O)C(=C([O-])CSc1nc(C2CC2)n(-c2ccccc2)n1)c1nc(C)cs1 ZINC000103124258 557419461 /nfs/dbraw/zinc/41/94/61/557419461.db2.gz INOKKCJHZGPOHE-KRWDZBQOSA-N -1 1 442.566 3.918 50 0 IHAAMM Cc1ccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccc(F)c(F)c2)c(C)c1 ZINC000051316765 557465407 /nfs/dbraw/zinc/46/54/07/557465407.db2.gz HRRUGLQTSIAIEF-UHFFFAOYSA-N -1 1 441.463 3.735 50 0 IHAAMM CCc1ccc([N-]S(=O)(=O)c2cc(-c3nn(C)c(=O)c4c3CCCC4)ccc2C)cc1 ZINC000044803308 557537083 /nfs/dbraw/zinc/53/70/83/557537083.db2.gz VWPTUPDLVZHVIE-UHFFFAOYSA-N -1 1 437.565 3.998 50 0 IHAAMM CCOC(=O)C1=C(C)Nc2nc(SC)[n-]c(=O)c2[C@@H]1c1ccc(Br)cc1 ZINC000044973698 557541992 /nfs/dbraw/zinc/54/19/92/557541992.db2.gz WSDIXOAVYPAFQU-CYBMUJFWSA-N -1 1 436.331 3.649 50 0 IHAAMM COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000058377811 557812625 /nfs/dbraw/zinc/81/26/25/557812625.db2.gz HJHYGYMZFIUGGI-UHFFFAOYSA-N -1 1 438.658 3.749 50 0 IHAAMM CCNc1c2ccccc2oc(=O)c1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000015951922 563020338 /nfs/dbraw/zinc/02/03/38/563020338.db2.gz FWXMJMVQESRZEC-UHFFFAOYSA-N -1 1 429.317 3.850 50 0 IHAAMM CCc1cc(=O)[n-]c(-n2nc(-c3ccccc3)cc2NC(=O)Nc2ccc3c(c2)OCO3)n1 ZINC000044389372 563122078 /nfs/dbraw/zinc/12/20/78/563122078.db2.gz WJRGPYNPFGAEOB-UHFFFAOYSA-N -1 1 444.451 3.970 50 0 IHAAMM O=C(Nc1cccc(Cn2ccnc2)c1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000025171055 568646712 /nfs/dbraw/zinc/64/67/12/568646712.db2.gz XUZCDFWZUFWJRR-UHFFFAOYSA-N -1 1 432.505 3.985 50 0 IHAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)nn2C)cc1 ZINC000001002310 568650714 /nfs/dbraw/zinc/65/07/14/568650714.db2.gz MLNVSJMHBANXDI-UHFFFAOYSA-N -1 1 438.431 3.800 50 0 IHAAMM COc1ccc([C@H](O)c2cc(OC)c(OC)cc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 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O=C(NCCCN(C(=O)c1cccs1)C1CCCCC1)c1nc2ccccc2c(=O)[n-]1 ZINC000022472257 527657192 /nfs/dbraw/zinc/65/71/92/527657192.db2.gz SFRIZDAKKUSCBO-UHFFFAOYSA-N -1 1 438.553 3.580 50 0 IHAAMM Cc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1c(Cl)cnn1C)CC[C@H](C(C)(C)C)C3 ZINC000002777992 556140800 /nfs/dbraw/zinc/14/08/00/556140800.db2.gz GHFOSAMJCWPPTM-NSHDSACASA-N -1 1 433.965 3.688 50 0 IHAAMM CCN(CC)c1ccc([C@@H]2c3c(=O)[nH][n-]c3C[C@](C)(O)[C@H]2C(=O)OCc2ccccc2)cc1 ZINC000014944951 556459892 /nfs/dbraw/zinc/45/98/92/556459892.db2.gz QCRWDEYAJVFLBJ-HNVPCBRESA-N -1 1 449.551 3.760 50 0 IHAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(NC(N)=O)c3)c2)cc1F ZINC000029153019 556468917 /nfs/dbraw/zinc/46/89/17/556468917.db2.gz PCCJKEALAZYXMN-UHFFFAOYSA-N -1 1 442.472 3.678 50 0 IHAAMM COc1cc(C)ccc1Oc1ccc(NC(=O)CCc2c(C)nc(SC)[n-]c2=O)cn1 ZINC000029363983 556473541 /nfs/dbraw/zinc/47/35/41/556473541.db2.gz YFDNCGXVOQMXEG-UHFFFAOYSA-N -1 1 440.525 3.876 50 0 IHAAMM CCOC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)CC1 ZINC000016448058 556608199 /nfs/dbraw/zinc/60/81/99/556608199.db2.gz ZQPWOGYWIVANKY-UHFFFAOYSA-N -1 1 444.553 3.520 50 0 IHAAMM O=S(=O)([N-][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cc(Br)cnc1Cl ZINC000071818560 556634035 /nfs/dbraw/zinc/63/40/35/556634035.db2.gz KGCPYSYJSKYVSR-ZFWWWQNUSA-N -1 1 449.729 3.835 50 0 IHAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)c(C)c1 ZINC000017100725 556665712 /nfs/dbraw/zinc/66/57/12/556665712.db2.gz OYPVISZIAWUTDJ-SFHVURJKSA-N -1 1 436.599 3.976 50 0 IHAAMM COC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c1 ZINC000003570051 556817630 /nfs/dbraw/zinc/81/76/30/556817630.db2.gz OFUBKDBJBXCWKU-UHFFFAOYSA-N -1 1 428.441 3.665 50 0 IHAAMM O=C(OC[C@H]1CCCO1)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000004647762 556849230 /nfs/dbraw/zinc/84/92/30/556849230.db2.gz LEXHJIOIWUTJOD-MRXNPFEDSA-N -1 1 440.315 3.586 50 0 IHAAMM O=C(OC[C@@H]1CCCO1)c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 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/nfs/dbraw/zinc/57/39/77/569573977.db2.gz HSLQIHPGCRQWND-UHFFFAOYSA-N -1 1 431.242 3.619 50 0 IHAAMM O=C1[N-]C(=O)[C@@]2(Cc3cc4ccccc4nc3N3CCCC[C@H]32)C(=O)N1C1CCCCC1 ZINC000009166823 132307542 /nfs/dbraw/zinc/30/75/42/132307542.db2.gz LVGZWTUKNPJEAR-CPJSRVTESA-N -1 1 432.524 3.547 50 0 IHAAMM Cc1cc([O-])c2c(C)c(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)c(=O)oc2c1 ZINC000009344264 132314086 /nfs/dbraw/zinc/31/40/86/132314086.db2.gz ODZJJHDEEURDSU-UHFFFAOYSA-N -1 1 426.900 3.660 50 0 IHAAMM O=S(=O)([N-]c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2)c1ccc(F)cc1 ZINC000009569484 132321910 /nfs/dbraw/zinc/32/19/10/132321910.db2.gz CXOBPYTYXPQAFW-UHFFFAOYSA-N -1 1 446.525 3.768 50 0 IHAAMM CCCCN(C)c1ncc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000035479662 520438711 /nfs/dbraw/zinc/43/87/11/520438711.db2.gz BXCMHWASMWAEFL-UHFFFAOYSA-N -1 1 442.335 3.579 50 0 IHAAMM CCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)cc21 ZINC000012180666 521664717 /nfs/dbraw/zinc/66/47/17/521664717.db2.gz RTHFJGSKZRULFB-UHFFFAOYSA-N 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COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1 ZINC000001167587 555665011 /nfs/dbraw/zinc/66/50/11/555665011.db2.gz MAUMKJSCPKDJQH-UHFFFAOYSA-N -1 1 432.523 3.605 50 0 IHAAMM Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)[n-]c2SCC(=O)NC(C)C)cc1 ZINC000011027491 556444634 /nfs/dbraw/zinc/44/46/34/556444634.db2.gz ZQPOATBXZRTNLQ-UHFFFAOYSA-N -1 1 429.567 3.835 50 0 IHAAMM O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)NCc1ccc2c(c1)OCO2 ZINC000013681845 556557054 /nfs/dbraw/zinc/55/70/54/556557054.db2.gz OSKZUAXELWWCIQ-UHFFFAOYSA-N -1 1 445.427 3.590 50 0 biogenic IHAAMM O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)NCc1ccc2c(c1)OCO2 ZINC000013681845 556557056 /nfs/dbraw/zinc/55/70/56/556557056.db2.gz OSKZUAXELWWCIQ-UHFFFAOYSA-N -1 1 445.427 3.590 50 0 biogenic IHAAMM CCC[C@@](C)(CCCNC(=O)Cn1c(=S)[n-]nc1-c1ccc(C)cc1)C1OCCO1 ZINC000072306510 556557384 /nfs/dbraw/zinc/55/73/84/556557384.db2.gz RCVINIXSNGRIQA-QFIPXVFZSA-N -1 1 432.590 3.992 50 0 IHAAMM CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)cc2C)s1 ZINC000033007695 556656459 /nfs/dbraw/zinc/65/64/59/556656459.db2.gz LXGGWSKDPHZLNP-UHFFFAOYSA-N -1 1 432.527 3.712 50 0 IHAAMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc2sc(NC(C)=O)nc21 ZINC000033007937 556656735 /nfs/dbraw/zinc/65/67/35/556656735.db2.gz QRJDYEZHZKEUDA-UHFFFAOYSA-N -1 1 431.539 3.943 50 0 IHAAMM O=C(NC[C@H]1CCCO1)c1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC000033019434 556676408 /nfs/dbraw/zinc/67/64/08/556676408.db2.gz FUERERNJRVDGEL-OAHLLOKOSA-N -1 1 442.509 3.711 50 0 IHAAMM COc1ccc(-c2cc(=O)[n-]c(SCC(=O)Nc3ccc(Br)cc3)n2)cc1 ZINC000018250808 556688485 /nfs/dbraw/zinc/68/84/85/556688485.db2.gz UPFDMAOMOCELPM-UHFFFAOYSA-N -1 1 446.326 3.939 50 0 IHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)c2ccco2)CC3)cc1Cl ZINC000008977218 556852191 /nfs/dbraw/zinc/85/21/91/556852191.db2.gz ALSRGEMFMNSCFO-UHFFFAOYSA-N -1 1 446.912 3.941 50 0 IHAAMM COc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc4nsnc43)c2)c1 ZINC000033170535 556885899 /nfs/dbraw/zinc/88/58/99/556885899.db2.gz UDHDIXACUFYOFL-UHFFFAOYSA-N -1 1 440.506 3.753 50 0 IHAAMM CCN1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)Cc4ccc(C)cc4)ccc3n2)CC1 ZINC000033260892 556897661 /nfs/dbraw/zinc/89/76/61/556897661.db2.gz PBEWBQDPBCXZAE-UHFFFAOYSA-N -1 1 432.524 3.565 50 0 IHAAMM Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCCc4ccccc4)[n-]c(=O)c32)cc1C ZINC000046075593 557032168 /nfs/dbraw/zinc/03/21/68/557032168.db2.gz VBVUHNURCIKRNA-SFHVURJKSA-N -1 1 448.548 3.786 50 0 IHAAMM CCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(NC(=O)CC)cc3)cc2)CCC1 ZINC000033277566 557059558 /nfs/dbraw/zinc/05/95/58/557059558.db2.gz CNWMRVVJADTQQG-UHFFFAOYSA-N -1 1 443.569 3.784 50 0 IHAAMM COCCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C4CC4)no3)c2)cc1C ZINC000048303035 557064395 /nfs/dbraw/zinc/06/43/95/557064395.db2.gz SYRPUSZYJQSKKV-UHFFFAOYSA-N -1 1 429.498 3.748 50 0 IHAAMM Cc1nc(-c2ccccc2)sc1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000017360565 557069685 /nfs/dbraw/zinc/06/96/85/557069685.db2.gz FMRACZORWVRMKI-UHFFFAOYSA-N -1 1 443.550 3.861 50 0 IHAAMM CCCCNC(=O)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[n-]2)CC1 ZINC000049421064 557107528 /nfs/dbraw/zinc/10/75/28/557107528.db2.gz UWTQYTMYYWPDLE-UHFFFAOYSA-N -1 1 428.533 3.923 50 0 IHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2NS(=O)(=O)c2ccc(F)cc2)s1 ZINC000024070410 557135091 /nfs/dbraw/zinc/13/50/91/557135091.db2.gz YDLIHICCRBSNEY-UHFFFAOYSA-N -1 1 426.516 3.797 50 0 IHAAMM CCCCc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C(=O)Nc4ccccc4O)CC3)C2=O)cc1 ZINC000101490838 557288221 /nfs/dbraw/zinc/28/82/21/557288221.db2.gz AESDPFVTUWSBQP-JOCHJYFZSA-N -1 1 449.551 3.717 50 0 IHAAMM O=C(NCCc1ccccc1)c1ccc2[n-]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1 ZINC000101828660 557300075 /nfs/dbraw/zinc/30/00/75/557300075.db2.gz POKFXNRYOIDPNF-UHFFFAOYSA-N -1 1 426.451 3.930 50 0 IHAAMM COc1cccc(CSc2nc(CC(=O)Nc3ccc(OC)c(Cl)c3)cc(=O)[n-]2)c1 ZINC000023138202 557312167 /nfs/dbraw/zinc/31/21/67/557312167.db2.gz USFLNNVIVVBANV-UHFFFAOYSA-N -1 1 445.928 3.914 50 0 IHAAMM CCOC(=O)C(=C([O-])CSc1nnc(-c2ccc(C)cc2)n1C)c1nc(C)cs1 ZINC000103034693 557416060 /nfs/dbraw/zinc/41/60/60/557416060.db2.gz PGXJPHYXLWICOB-MRXNPFEDSA-N -1 1 430.555 3.564 50 0 IHAAMM COc1ccccc1CN(C(=O)C(C)C)c1nn2c([n-]1)nc(C)c(Cc1ccccc1)c2=O ZINC000101861209 557457650 /nfs/dbraw/zinc/45/76/50/557457650.db2.gz YHGJDGJOGUKHBG-UHFFFAOYSA-N -1 1 445.523 3.515 50 0 IHAAMM Cc1ccc(C)c(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccc(F)c(F)c2)c1 ZINC000051316767 557465510 /nfs/dbraw/zinc/46/55/10/557465510.db2.gz ZRCGIVFKPHGWOL-UHFFFAOYSA-N -1 1 441.463 3.735 50 0 IHAAMM Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)Nc3nc(SCCc4ccccc4)[n-]c(=O)c32)c1 ZINC000085737259 557492178 /nfs/dbraw/zinc/49/21/78/557492178.db2.gz XNMFNTFXEQWNRI-QGZVFWFLSA-N -1 1 448.548 3.786 50 0 IHAAMM Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](CC(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000020247224 557522636 /nfs/dbraw/zinc/52/26/36/557522636.db2.gz FGUSFVWQNHUXQZ-WMZOPIPTSA-N -1 1 429.270 3.762 50 0 IHAAMM CCNC(=O)c1cc([N-]S(=O)(=O)Cc2cccc(Br)c2)nc2ccccc21 ZINC000225399718 557718456 /nfs/dbraw/zinc/71/84/56/557718456.db2.gz JJTVFWVYPPMBBW-UHFFFAOYSA-N -1 1 448.342 3.689 50 0 IHAAMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000018707797 557855332 /nfs/dbraw/zinc/85/53/32/557855332.db2.gz WNHVMUFOUFBSDZ-UHFFFAOYSA-N -1 1 440.287 3.555 50 0 IHAAMM CCN(c1ccccc1)S(=O)(=O)c1ccc2[n-]cc(C(=O)NCCC(C)C)c(=O)c2c1 ZINC000006296475 568882370 /nfs/dbraw/zinc/88/23/70/568882370.db2.gz FHAJWMFCYJOCJH-UHFFFAOYSA-N -1 1 441.553 3.519 50 0 IHAAMM Cc1nnc2ccc(-c3cccc(S(=O)(=O)[N-]c4ccc(Br)cc4)c3)nn12 ZINC000064835853 568968865 /nfs/dbraw/zinc/96/88/65/568968865.db2.gz MTGUIOMEYIDDIR-UHFFFAOYSA-N -1 1 444.314 3.663 50 0 IHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CCC2)cc1N(C)C ZINC000006899790 569103373 /nfs/dbraw/zinc/10/33/73/569103373.db2.gz FMAURPVSWQVKRV-MRXNPFEDSA-N -1 1 427.570 3.940 50 0 IHAAMM Cc1sc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000065097635 569104022 /nfs/dbraw/zinc/10/40/22/569104022.db2.gz QUYYWPHTMMWFNZ-UHFFFAOYSA-N -1 1 446.554 3.760 50 0 IHAAMM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)cn2C)sc1C(=O)N1CCCC1 ZINC000065137448 569110451 /nfs/dbraw/zinc/11/04/51/569110451.db2.gz ARKPYUUZDPHUOD-UHFFFAOYSA-N -1 1 444.582 3.802 50 0 IHAAMM O=C(C1CC1)N1CCc2sc(S(=O)(=O)[N-]c3ccccc3Br)cc2C1 ZINC000065196243 569115710 /nfs/dbraw/zinc/11/57/10/569115710.db2.gz JIXVXPPZUFLSKF-UHFFFAOYSA-N -1 1 441.372 3.606 50 0 IHAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)c2ncccc2O3)cc1Cl ZINC000065241503 569121180 /nfs/dbraw/zinc/12/11/80/569121180.db2.gz APVVXMJBXTVPRF-UHFFFAOYSA-N -1 1 445.884 3.927 50 0 IHAAMM Cc1ccc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)[N-]c1c(C)cccc1C ZINC000065318815 569134467 /nfs/dbraw/zinc/13/44/67/569134467.db2.gz HFUYVHWQRFOAMI-UHFFFAOYSA-N -1 1 440.525 3.699 50 0 IHAAMM CCCc1cc(=O)[n-]c(SCc2nc(-c3ccc(F)c(Br)c3)no2)n1 ZINC000065330995 569137022 /nfs/dbraw/zinc/13/70/22/569137022.db2.gz NARILOATNYSMLU-UHFFFAOYSA-N -1 1 425.283 3.966 50 0 IHAAMM COC(=O)CN[C@@H](c1ccccc1)c1cc(C)ccc1[N-]S(=O)(=O)c1ccccc1C ZINC000328597985 569318143 /nfs/dbraw/zinc/31/81/43/569318143.db2.gz JYEGONLPWADUDH-DEOSSOPVSA-N -1 1 438.549 3.956 50 0 IHAAMM O=C(c1ccccc1)N1CCCc2ccc([N-]S(=O)(=O)c3ccc4oc(=O)[nH]c4c3)cc21 ZINC000096025627 569380814 /nfs/dbraw/zinc/38/08/14/569380814.db2.gz NWOMXAVZEIHBNE-UHFFFAOYSA-N -1 1 449.488 3.515 50 0 IHAAMM COC(=O)C[C@H](c1c(=O)[nH][n-]c1Cc1cc(F)c(F)cc1F)c1ccc(O)c(OC)c1 ZINC000096231491 569387582 /nfs/dbraw/zinc/38/75/82/569387582.db2.gz XHCQFDPQPAKVID-LBPRGKRZSA-N -1 1 436.386 3.533 50 0 IHAAMM CN1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)[C@@H](c2ccccc2)C1 ZINC000030029438 569440583 /nfs/dbraw/zinc/44/05/83/569440583.db2.gz DQCIAJMUWTZFEC-HSZRJFAPSA-N -1 1 435.549 3.616 50 0 IHAAMM CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1 ZINC000003270268 569443524 /nfs/dbraw/zinc/44/35/24/569443524.db2.gz QZVNQYQPWJAMJI-UHFFFAOYSA-N -1 1 446.266 3.660 50 0 IHAAMM CCCc1cc(=O)n(-c2ccc(C(=O)N[C@@H]3CCCN(Cc4ccccc4F)C3)cc2)[n-]1 ZINC000670449188 569455919 /nfs/dbraw/zinc/45/59/19/569455919.db2.gz ASIQUPZQESYMLE-OAQYLSRUSA-N -1 1 436.531 3.652 50 0 IHAAMM COc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(CCOc4ccc(Cl)cc4)CC3)c2c1 ZINC000032101949 569460121 /nfs/dbraw/zinc/46/01/21/569460121.db2.gz DOLDNWQHFPLZCS-QFIPXVFZSA-N -1 1 443.931 3.652 50 0 IHAAMM COc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NC[C@H]2CCCO2)cc1Cl ZINC000067298830 569468059 /nfs/dbraw/zinc/46/80/59/569468059.db2.gz IBWDQKOAMJQWIS-WGJYXZIMSA-N -1 1 428.872 3.942 50 0 IHAAMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000008668271 569469963 /nfs/dbraw/zinc/46/99/63/569469963.db2.gz DKHUDBAVOSDBSR-UHFFFAOYSA-N -1 1 440.411 3.555 50 0 IHAAMM Cc1nc(Nc2nc(-c3cnc(N4CCCCC4)nc3C)cc(=O)[n-]2)nc2ccccc12 ZINC000039403995 569481602 /nfs/dbraw/zinc/48/16/02/569481602.db2.gz ZDFUFHJTORDUGN-UHFFFAOYSA-N -1 1 428.500 3.521 50 0 IHAAMM Cc1ccc2c(c1)NC(=O)c1cc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)ccc1O2 ZINC000008961290 569490975 /nfs/dbraw/zinc/49/09/75/569490975.db2.gz YRSWXUYMHQRLMI-UHFFFAOYSA-N -1 1 438.461 3.925 50 0 IHAAMM CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c([O-])nc(O)n(-c2cccc(Cl)c2)c1=O ZINC000008994706 569495520 /nfs/dbraw/zinc/49/55/20/569495520.db2.gz DXMNQVGVGLLPHX-FQEVSTJZSA-N -1 1 436.899 3.746 50 0 IHAAMM CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c([O-])nc(O)n(-c2cccc(C)c2C)c1=O ZINC000008995785 569495701 /nfs/dbraw/zinc/49/57/01/569495701.db2.gz MPXXMSMGRPKSBQ-JOCHJYFZSA-N -1 1 430.508 3.709 50 0 biogenic IHAAMM CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3)cc1 ZINC000009169002 569509156 /nfs/dbraw/zinc/50/91/56/569509156.db2.gz QXIZVUAJSXAVNR-UHFFFAOYSA-N -1 1 431.514 3.583 50 0 IHAAMM COc1ccc(-c2nc3c(c(=O)[n-]2)Cc2cc(Br)ccc2O3)c(OC)c1OC ZINC000009290397 569519730 /nfs/dbraw/zinc/51/97/30/569519730.db2.gz ZEPMXIGKEAYCCU-UHFFFAOYSA-N -1 1 445.269 3.922 50 0 IHAAMM O=C(C[C@@H]1C=CCC1)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009467483 569538474 /nfs/dbraw/zinc/53/84/74/569538474.db2.gz WOZXJGIOPXCACU-MRXNPFEDSA-N -1 1 428.510 3.944 50 0 IHAAMM O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000009514422 569543193 /nfs/dbraw/zinc/54/31/93/569543193.db2.gz BKLJXQUVCQRCFB-UHFFFAOYSA-N -1 1 435.505 3.632 50 0 IHAAMM O=C(Cc1ccsc1)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009549405 569546633 /nfs/dbraw/zinc/54/66/33/569546633.db2.gz XEMHFSXFKVETOX-UHFFFAOYSA-N -1 1 444.534 3.891 50 0 IHAAMM CC(=O)Nc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000009584853 569549456 /nfs/dbraw/zinc/54/94/56/569549456.db2.gz LCAISPKFDDPFTL-UHFFFAOYSA-N -1 1 427.457 3.837 50 0 IHAAMM COc1cccc(OCCCSc2nc(-c3cccc(F)c3)nc3cc(=O)[n-]n32)c1 ZINC000009641047 569555579 /nfs/dbraw/zinc/55/55/79/569555579.db2.gz XGSWTFKPDGKTCZ-UHFFFAOYSA-N -1 1 426.473 3.794 50 0 IHAAMM COc1ccc(-c2nc3cc(=O)[n-]n3c(SCCOc3ccc(C)cc3OC)n2)cc1 ZINC000009641283 569555597 /nfs/dbraw/zinc/55/55/97/569555597.db2.gz HEUORIGWCBXIOW-UHFFFAOYSA-N -1 1 438.509 3.581 50 0 IHAAMM O=C(Nc1ccccc1N1CCCC1=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000009646648 569556303 /nfs/dbraw/zinc/55/63/03/569556303.db2.gz DKLVGZGHTJJBDP-UHFFFAOYSA-N -1 1 435.505 3.867 50 0 IHAAMM Cc1cc(NC(=O)C2c3ccccc3Oc3ccccc32)n(-c2nc3c(c(=O)[n-]2)CCC3)n1 ZINC000009822603 569569591 /nfs/dbraw/zinc/56/95/91/569569591.db2.gz QEFFALMLQXNCAF-UHFFFAOYSA-N -1 1 439.475 3.629 50 0 IHAAMM Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000009348775 132314199 /nfs/dbraw/zinc/31/41/99/132314199.db2.gz NVNLCFJKORWSAP-UHFFFAOYSA-N -1 1 426.900 3.742 50 0 IHAAMM CC(C)(C)NC(=O)CSc1[n-]c(-c2ccccc2)nc1S(=O)(=O)c1ccccc1 ZINC000012112463 518736844 /nfs/dbraw/zinc/73/68/44/518736844.db2.gz OLCXEZLJICKCAV-UHFFFAOYSA-N -1 1 429.567 3.916 50 0 IHAAMM CCCCC[C@H](C)NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1 ZINC000012902783 520308026 /nfs/dbraw/zinc/30/80/26/520308026.db2.gz WVSHDPASHXJIKF-QFBILLFUSA-N -1 1 444.601 3.808 50 0 IHAAMM CCOc1cc([C@H]2CC(=O)Nc3nc(SCc4ccccc4F)[n-]c(=O)c32)ccc1O ZINC000021784172 520785829 /nfs/dbraw/zinc/78/58/29/520785829.db2.gz RXSKUYDELJWKSB-CQSZACIVSA-N -1 1 441.484 3.780 50 0 IHAAMM CCOC(=O)c1ccc(NC(=O)Cc2cc(=O)[n-]c(SCc3ccc(F)cc3)n2)cc1 ZINC000023138081 521500573 /nfs/dbraw/zinc/50/05/73/521500573.db2.gz ALYLBTZRTJIHPO-UHFFFAOYSA-N -1 1 441.484 3.559 50 0 IHAAMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CCC4)c1 ZINC000020990164 521546378 /nfs/dbraw/zinc/54/63/78/521546378.db2.gz VGJMNFSGDORGEY-UHFFFAOYSA-N -1 1 426.494 3.973 50 0 IHAAMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)Nc3ccccc3)c2)c1 ZINC000012535985 522251466 /nfs/dbraw/zinc/25/14/66/522251466.db2.gz WHTLAFKFUSQTDY-UHFFFAOYSA-N -1 1 425.466 3.918 50 0 IHAAMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C1CCCCC1 ZINC000012753456 523936793 /nfs/dbraw/zinc/93/67/93/523936793.db2.gz LZKZFMOUJIUFHG-UHFFFAOYSA-N -1 1 430.526 3.663 50 0 IHAAMM Cc1ccccc1NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1 ZINC000012745217 525265031 /nfs/dbraw/zinc/26/50/31/525265031.db2.gz FKVGWWRMICYANX-LJQANCHMSA-N -1 1 436.537 3.670 50 0 IHAAMM Cc1ccc2nc(C)c(C(=O)Nc3cc(S(=O)(=O)N4CCCC4)ccc3[O-])cc2c1 ZINC000022024203 526246200 /nfs/dbraw/zinc/24/62/00/526246200.db2.gz AAIJCASXWXJJBK-UHFFFAOYSA-N -1 1 425.510 3.594 50 0 IHAAMM O=C(C1CC1)N1CCCc2cc([N-]S(=O)(=O)c3ccc(Br)cc3)ccc21 ZINC000017156406 526286726 /nfs/dbraw/zinc/28/67/26/526286726.db2.gz DRRWEFQLMBZKLY-UHFFFAOYSA-N -1 1 435.343 3.939 50 0 IHAAMM O=C(Nc1c[nH]ccc1=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000040088205 527094704 /nfs/dbraw/zinc/09/47/04/527094704.db2.gz WZCOYJKOWGSSRW-UHFFFAOYSA-N -1 1 438.292 3.735 50 0 IHAAMM COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc(C(=O)[O-])c2)ccc1C ZINC000000797231 555558333 /nfs/dbraw/zinc/55/83/33/555558333.db2.gz BUEFROLRWJKQPD-UHFFFAOYSA-N -1 1 440.477 3.755 50 0 IHAAMM CCc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)cc3)c(=O)[n-]2)c1 ZINC000002699255 555800104 /nfs/dbraw/zinc/80/01/04/555800104.db2.gz DNXJSUATFBSZCA-UHFFFAOYSA-N -1 1 443.550 3.617 50 0 IHAAMM O=C1N[C@@H](c2ccccc2)C(=C([O-])c2ccc(Br)cc2)[C@](O)(C(F)(F)F)N1 ZINC000004163840 555970956 /nfs/dbraw/zinc/97/09/56/555970956.db2.gz SCVHLNZCSIMTDW-ZQIUZPCESA-N -1 1 443.219 3.553 50 0 IHAAMM CCCc1cc2c(nc(C)n([N-]C(=O)c3c(Cl)c(C(F)(F)F)nn3C)c2=O)s1 ZINC000002781394 556138009 /nfs/dbraw/zinc/13/80/09/556138009.db2.gz AHGHJZWXIDMSOZ-UHFFFAOYSA-N -1 1 433.843 3.509 50 0 IHAAMM CCOC(=O)c1ccc(NC(=O)CSc2nc(C)c(Cc3ccccc3)c(=O)[n-]2)cc1 ZINC000008612130 556191961 /nfs/dbraw/zinc/19/19/61/556191961.db2.gz ARNBUWNQWNNCQX-UHFFFAOYSA-N -1 1 437.521 3.577 50 0 IHAAMM Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(C)c3C)[n-]c2=O)cc1 ZINC000009908975 556316259 /nfs/dbraw/zinc/31/62/59/556316259.db2.gz KHRVZEYZYNRHTO-UHFFFAOYSA-N -1 1 443.550 3.671 50 0 IHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)OCC(=O)c3ccccc3)c2)cc1 ZINC000014902071 556456900 /nfs/dbraw/zinc/45/69/00/556456900.db2.gz ASJKJBSXACQAMT-UHFFFAOYSA-N -1 1 425.462 3.536 50 0 IHAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2)c1 ZINC000015541292 556533710 /nfs/dbraw/zinc/53/37/10/556533710.db2.gz AZUSFNYXCUKOIG-UHFFFAOYSA-N -1 1 436.493 3.526 50 0 IHAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)Cc2nc(-c3ccccc3)oc2C)c1 ZINC000032905164 556550816 /nfs/dbraw/zinc/55/08/16/556550816.db2.gz RLVNEAGRTUVWOM-UHFFFAOYSA-N -1 1 443.525 3.567 50 0 IHAAMM Cc1c(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)cnn1C ZINC000032906327 556552234 /nfs/dbraw/zinc/55/22/34/556552234.db2.gz WKEZEHNQLIPHTF-UHFFFAOYSA-N -1 1 449.330 3.544 50 0 IHAAMM CCC[C@](C)(CCCNC(=O)Cn1c(=S)[n-]nc1-c1ccc(C)cc1)C1OCCO1 ZINC000072306513 556557627 /nfs/dbraw/zinc/55/76/27/556557627.db2.gz RCVINIXSNGRIQA-JOCHJYFZSA-N -1 1 432.590 3.992 50 0 IHAAMM CSc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1C(=O)N1CCCCC1 ZINC000016648003 556620104 /nfs/dbraw/zinc/62/01/04/556620104.db2.gz KYWASPBWAAMKAE-UHFFFAOYSA-N -1 1 448.566 3.607 50 0 IHAAMM O=C(CCc1ccccc1)Nc1cc(-c2cccs2)nn1-c1nc2c(c(=O)[n-]1)CCC2 ZINC000011855812 556662406 /nfs/dbraw/zinc/66/24/06/556662406.db2.gz 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IHAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2)cc1F ZINC000017320923 557057915 /nfs/dbraw/zinc/05/79/15/557057915.db2.gz NZHVVSTXRPCRHX-UHFFFAOYSA-N -1 1 442.468 3.594 50 0 IHAAMM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OC)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000100123843 557319102 /nfs/dbraw/zinc/31/91/02/557319102.db2.gz KJVGAKSWUZWNON-ZRBLBEILSA-N -1 1 430.460 3.755 50 0 IHAAMM Cc1cc(NC(=O)c2ccco2)n(-c2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)n1 ZINC000011695432 557393192 /nfs/dbraw/zinc/39/31/92/557393192.db2.gz CYFOUWZDZGRQGO-UHFFFAOYSA-N -1 1 435.831 3.514 50 0 IHAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(-c3cccc(Cl)c3)on2)c1 ZINC000040087397 557688811 /nfs/dbraw/zinc/68/88/11/557688811.db2.gz HHJHKMRUIMPPEV-UHFFFAOYSA-N -1 1 449.916 3.983 50 0 IHAAMM CCOC(=O)c1cnc(SC)nc1Oc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000001394780 562921653 /nfs/dbraw/zinc/92/16/53/562921653.db2.gz AAOCSIJBSWKPFU-UHFFFAOYSA-N -1 1 445.522 3.968 50 0 IHAAMM COc1ccc(-c2nc3cc(=O)[n-]n3c(SCCOc3ccccc3Cl)n2)cc1 ZINC000008619483 562959893 /nfs/dbraw/zinc/95/98/93/562959893.db2.gz YFYKBMMFFACWFV-UHFFFAOYSA-N -1 1 428.901 3.918 50 0 aggregator IHAAMM Cc1c(CC[N-]S(=O)(=O)c2cc(F)ccc2F)sc2nc(-c3ccc(C)cc3)nn12 ZINC000008860323 562965348 /nfs/dbraw/zinc/96/53/48/562965348.db2.gz VUVOTKUVTYMNPM-UHFFFAOYSA-N -1 1 448.520 3.874 50 0 IHAAMM COc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4Cl)[n-]c(=O)c32)cc1O ZINC000086057414 568642740 /nfs/dbraw/zinc/64/27/40/568642740.db2.gz VXQNHJRQEJFQPO-ZDUSSCGKSA-N -1 1 443.912 3.904 50 0 IHAAMM O=C(NCc1ccco1)c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000003316400 568745805 /nfs/dbraw/zinc/74/58/05/568745805.db2.gz YSGZZFKRJWHMHW-UHFFFAOYSA-N -1 1 435.299 3.773 50 0 IHAAMM CC(=O)N[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C(C)C ZINC000015705040 568807447 /nfs/dbraw/zinc/80/74/47/568807447.db2.gz UQVHAUSXEQAKRN-LJQANCHMSA-N -1 1 437.949 3.548 50 0 IHAAMM Cc1ccc(CN(C(=O)C(C)C)c2nn3c([n-]2)nc(C)c(Cc2ccccc2)c3=O)cc1 ZINC000101776699 568856171 /nfs/dbraw/zinc/85/61/71/568856171.db2.gz BNNTZLYWLLOBDI-UHFFFAOYSA-N -1 1 429.524 3.814 50 0 IHAAMM O=C1N[C@H](c2ccccc2)C(=C([O-])c2ccc(Br)cc2)[C@](O)(C(F)(F)F)N1 ZINC000004163837 568939605 /nfs/dbraw/zinc/93/96/05/568939605.db2.gz SCVHLNZCSIMTDW-CPUCHLNUSA-N -1 1 443.219 3.553 50 0 IHAAMM COc1ccc(-c2csc3c2[n-]c(N2CCN(c4ccccc4OC)CC2)nc3=O)cc1 ZINC000064611589 568941550 /nfs/dbraw/zinc/94/15/50/568941550.db2.gz LPTYKGOAHRAGBY-UHFFFAOYSA-N -1 1 448.548 3.995 50 0 IHAAMM O=C([O-])c1ccc(N2CCC(CCN3CCOCC3)CC2)c(NC(=O)c2ccccc2)c1 ZINC000064820620 568967183 /nfs/dbraw/zinc/96/71/83/568967183.db2.gz HHOUWPOXKPKSOC-UHFFFAOYSA-N -1 1 437.540 3.576 50 0 IHAAMM CC(C)C(=O)N1CC(C)(C)c2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)ccc21 ZINC000065021085 569088657 /nfs/dbraw/zinc/08/86/57/569088657.db2.gz IGUVZQJOKMBEJM-UHFFFAOYSA-N -1 1 430.526 3.539 50 0 IHAAMM Cc1sc(-c2nnc(C(=O)N3CCCC3)o2)cc1S(=O)(=O)[N-]c1c(C)cccc1C ZINC000065116531 569107390 /nfs/dbraw/zinc/10/73/90/569107390.db2.gz 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50 0 IHAAMM COC(=O)C[C@H](c1c(Cc2cc(F)c(F)cc2F)[n-][nH]c1=O)c1cccc2nccnc21 ZINC000096232025 569387742 /nfs/dbraw/zinc/38/77/42/569387742.db2.gz GMTCGHXUWOSKQB-ZDUSSCGKSA-N -1 1 442.397 3.762 50 0 IHAAMM O=C(CSc1nnc(NC2CCCCC2)s1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000002660279 569416049 /nfs/dbraw/zinc/41/60/49/569416049.db2.gz XTWONVOZIIYKHB-UHFFFAOYSA-N -1 1 442.513 3.933 50 0 IHAAMM CCOC(=O)CSc1nc2c(sc(=S)n2-c2cc(Cl)ccc2OC)c(=O)[n-]1 ZINC000003034156 569437908 /nfs/dbraw/zinc/43/79/08/569437908.db2.gz VJPFQKGUSTTXJS-UHFFFAOYSA-N -1 1 443.959 3.822 50 0 IHAAMM Cc1ccc(NC(=O)[C@H]2CCCO2)cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1 ZINC000008708456 569470667 /nfs/dbraw/zinc/47/06/67/569470667.db2.gz DAKGONIKNXCLMP-MRXNPFEDSA-N -1 1 428.432 3.932 50 0 IHAAMM COc1cc(OC)c(OC)cc1CNC(=O)CCn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000008750245 569473369 /nfs/dbraw/zinc/47/33/69/569473369.db2.gz XPKHABRCSNCVQX-UHFFFAOYSA-N -1 1 442.541 3.648 50 0 IHAAMM CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c([O-])nc(O)n(-c2cccc(Cl)c2)c1=O ZINC000008994708 569495579 /nfs/dbraw/zinc/49/55/79/569495579.db2.gz DXMNQVGVGLLPHX-HXUWFJFHSA-N -1 1 436.899 3.746 50 0 IHAAMM CC(=O)N1c2cc(S(=O)(=O)[N-]c3ccccc3F)c(Br)cc2C[C@H]1C ZINC000040450608 569506390 /nfs/dbraw/zinc/50/63/90/569506390.db2.gz UGBBKYFINRXBSI-SNVBAGLBSA-N -1 1 427.295 3.687 50 0 IHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)C3CCC3)c2)cc1Br ZINC000009367483 569526447 /nfs/dbraw/zinc/52/64/47/569526447.db2.gz VHTBMNIHJFMLHZ-UHFFFAOYSA-N -1 1 439.331 3.997 50 0 IHAAMM CC(=O)Nc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1 ZINC000009511931 569542849 /nfs/dbraw/zinc/54/28/49/569542849.db2.gz IKPDFYHRIIYUIC-UHFFFAOYSA-N -1 1 445.447 3.976 50 0 IHAAMM CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3ccc(F)cc3F)c2)on1 ZINC000009637560 569554805 /nfs/dbraw/zinc/55/48/05/569554805.db2.gz XUYATSXAHSCWJO-UHFFFAOYSA-N -1 1 438.408 3.606 50 0 IHAAMM O=C(CSc1nc(-c2ccc(Cl)cc2)nc2cc(=O)[n-]n21)Nc1ccc(F)cc1 ZINC000009640844 569555449 /nfs/dbraw/zinc/55/54/49/569555449.db2.gz FPTAVPVZYUIBQU-UHFFFAOYSA-N -1 1 429.864 3.608 50 0 IHAAMM COc1cc(C)ccc1OCCSc1nc(-c2ccccc2F)nc2cc(=O)[n-]n21 ZINC000009640977 569555527 /nfs/dbraw/zinc/55/55/27/569555527.db2.gz IYDSVUOHEWTZBO-UHFFFAOYSA-N -1 1 426.473 3.712 50 0 IHAAMM Cc1ccccc1-c1nc2cc(=O)[n-]n2c(SCC(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000009641590 569555728 /nfs/dbraw/zinc/55/57/28/569555728.db2.gz OEFWZJCSZOYSLN-UHFFFAOYSA-N -1 1 443.891 3.916 50 0 IHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCOc3ccc(C)cc3)c2)cc1 ZINC000009670149 569558207 /nfs/dbraw/zinc/55/82/07/569558207.db2.gz ZGYYWSJRQNKWHL-UHFFFAOYSA-N -1 1 440.521 3.613 50 0 IHAAMM O=C(NCc1ccc(N2CCCC2=O)cc1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000009689692 569560925 /nfs/dbraw/zinc/56/09/25/569560925.db2.gz UNBIFBDZLDRZAS-UHFFFAOYSA-N -1 1 449.532 3.544 50 0 IHAAMM O=S(=O)([N-]c1ccc(Cl)cc1)c1cccc(NC(=S)NC[C@H]2CCCO2)c1 ZINC000009716331 569563234 /nfs/dbraw/zinc/56/32/34/569563234.db2.gz KGVMNIVOZKYTKF-MRXNPFEDSA-N -1 1 425.963 3.606 50 0 IHAAMM Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)n(-c2nc3c(c(=O)[n-]2)CCC3)n1 ZINC000009822568 569569512 /nfs/dbraw/zinc/56/95/12/569569512.db2.gz GDEJLTVDCFDBKV-UHFFFAOYSA-N -1 1 425.492 3.523 50 0 IHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCc4sccc4C3)c2)cc1 ZINC000009896645 569573032 /nfs/dbraw/zinc/57/30/32/569573032.db2.gz PXCPJVLVLQDPDS-UHFFFAOYSA-N -1 1 428.535 3.756 50 0 IHAAMM CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C)cc3)[n-]c2=O)cc1 ZINC000009939080 569573832 /nfs/dbraw/zinc/57/38/32/569573832.db2.gz GIHVLXOOOSEKTA-UHFFFAOYSA-N -1 1 443.550 3.617 50 0 IHAAMM CCN1CCc2nc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)sc2C1 ZINC000021296349 521725276 /nfs/dbraw/zinc/72/52/76/521725276.db2.gz FVAXXJCKVCRORN-UHFFFAOYSA-N -1 1 442.566 3.574 50 0 IHAAMM CC[C@H](C)c1ccccc1OCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1[O-] ZINC000012769368 522047756 /nfs/dbraw/zinc/04/77/56/522047756.db2.gz SITODKUTWBCCCD-INIZCTEOSA-N -1 1 434.558 3.954 50 0 IHAAMM Cc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000015669391 525787766 /nfs/dbraw/zinc/78/77/66/525787766.db2.gz OKVHKIYIYHFBLB-UHFFFAOYSA-N -1 1 431.464 3.703 50 0 IHAAMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(-c2nnnn2C2CC2)c1 ZINC000012740072 525989288 /nfs/dbraw/zinc/98/92/88/525989288.db2.gz OPIZOQKAEYWMIP-UHFFFAOYSA-N -1 1 434.319 3.547 50 0 IHAAMM O=C(c1noc2ccc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)cc21)N1CCCC1 ZINC000021364208 526929791 /nfs/dbraw/zinc/92/97/91/526929791.db2.gz REESVFBGUSXNMY-UHFFFAOYSA-N -1 1 439.415 3.883 50 0 IHAAMM Cn1c2cc(S(=O)(=O)[N-]c3ccc4c(c3)ncn4C3CCCCC3)ccc2oc1=O ZINC000012428026 527096621 /nfs/dbraw/zinc/09/66/21/527096621.db2.gz KHTMBPXFFKJVFF-UHFFFAOYSA-N -1 1 426.498 3.787 50 0 IHAAMM O=S(=O)([N-]c1ccc(Br)cc1)c1ccc(I)cc1 ZINC000000642719 555519052 /nfs/dbraw/zinc/51/90/52/555519052.db2.gz XIJHKFFLPCSOHD-UHFFFAOYSA-N -1 1 438.084 3.855 50 0 IHAAMM CC1CCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000000670870 555530945 /nfs/dbraw/zinc/53/09/45/555530945.db2.gz XJFUSGFGYAFUJC-UHFFFAOYSA-N -1 1 428.963 3.561 50 0 IHAAMM O=S(=O)([N-]c1cccc(Cl)c1N1CCOCC1)c1ccc(Br)cc1 ZINC000001076499 555624369 /nfs/dbraw/zinc/62/43/69/555624369.db2.gz NZSNLVFZOHMGKC-UHFFFAOYSA-N -1 1 431.739 3.740 50 0 IHAAMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 ZINC000002876254 555852393 /nfs/dbraw/zinc/85/23/93/555852393.db2.gz BNOKXKYELRDJPM-UHFFFAOYSA-N -1 1 440.612 3.774 50 0 IHAAMM O=C(Cc1sc(N2CCCC2)nc1[O-])Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000028757057 556460654 /nfs/dbraw/zinc/46/06/54/556460654.db2.gz QFKPQHRYONQFOS-SFHVURJKSA-N -1 1 441.940 3.993 50 0 IHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(NC(N)=O)c3)cc2)cc1C ZINC000029804829 556483236 /nfs/dbraw/zinc/48/32/36/556483236.db2.gz RVDKKSQQSLHGEH-UHFFFAOYSA-N -1 1 438.509 3.847 50 0 IHAAMM CCOc1cc(N2CCOCC2)c(OCC)cc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000032906668 556553683 /nfs/dbraw/zinc/55/36/83/556553683.db2.gz SVGXZOZJVSHCHC-UHFFFAOYSA-N -1 1 438.521 3.569 50 0 IHAAMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1)N1CCN(c2ccccc2F)CC1 ZINC000016447569 556608074 /nfs/dbraw/zinc/60/80/74/556608074.db2.gz BLJVAROFGVAVRJ-UHFFFAOYSA-N -1 1 439.512 3.589 50 0 IHAAMM COc1cc(NC(=O)c2ccccc2)c(OC)cc1[N-]S(=O)(=O)Cc1ccccc1 ZINC000017094874 556657838 /nfs/dbraw/zinc/65/78/38/556657838.db2.gz CNZFSLFFXWOPBB-UHFFFAOYSA-N -1 1 426.494 3.898 50 0 IHAAMM O=C(NC[C@@H]1CCCO1)c1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC000033019430 556676463 /nfs/dbraw/zinc/67/64/63/556676463.db2.gz FUERERNJRVDGEL-HNNXBMFYSA-N -1 1 442.509 3.711 50 0 IHAAMM COc1ccc(C(=O)Nc2cc(-c3ccco3)nn2-c2nc(C(C)C)cc(=O)[n-]2)c(OC)c1 ZINC000012007712 556680622 /nfs/dbraw/zinc/68/06/22/556680622.db2.gz BNEFRAWAGHAAEW-UHFFFAOYSA-N -1 1 449.467 3.609 50 0 IHAAMM Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)COc2ccc(Cl)cc2)[n-]c(=O)c1C ZINC000012008283 556680974 /nfs/dbraw/zinc/68/09/74/556680974.db2.gz IUGGFBALUGAMEU-UHFFFAOYSA-N -1 1 439.859 3.503 50 0 IHAAMM O=C([O-])c1ccccc1[C@@H]1c2c(O)n(-c3ccc(F)cc3)c(O)c2ON1c1ccccc1 ZINC000136634105 556690918 /nfs/dbraw/zinc/69/09/18/556690918.db2.gz VARXRXVMXBPTGE-PWRODBHTSA-N -1 1 432.407 3.575 50 0 IHAAMM COC(=O)CN[C@H](c1ccc(C)cc1)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000097165856 556994774 /nfs/dbraw/zinc/99/47/74/556994774.db2.gz DZPSTCRJXKFPKS-XMMPIXPASA-N -1 1 438.549 3.956 50 0 IHAAMM CCOC(=O)C1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2cccc(Cl)c2)CC1 ZINC000023157715 557030441 /nfs/dbraw/zinc/03/04/41/557030441.db2.gz XRCBDDKQEOBNJL-INIZCTEOSA-N -1 1 434.949 3.823 50 0 IHAAMM CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(SCc3ccccc3)[n-]c(=O)c21 ZINC000046074595 557030589 /nfs/dbraw/zinc/03/05/89/557030589.db2.gz QDOVYGWRSQMESB-INIZCTEOSA-N -1 1 434.521 3.689 50 0 IHAAMM O=C(Nc1cccc(Cl)c1)[C@H]1CC(=O)Nc2nc(SCc3ccccc3)[n-]c(=O)c21 ZINC000046074551 557030743 /nfs/dbraw/zinc/03/07/43/557030743.db2.gz SEOUKMXJDOVIAJ-HNNXBMFYSA-N -1 1 440.912 3.780 50 0 IHAAMM Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)cc1 ZINC000046074787 557030940 /nfs/dbraw/zinc/03/09/40/557030940.db2.gz DRWCHDUYFLWJAT-KRWDZBQOSA-N -1 1 434.521 3.744 50 0 IHAAMM CCN(CC)Cc1nc(C2([N-]S(=O)(=O)c3cccc(Cl)c3Cl)CCCC2)no1 ZINC000048313096 557067404 /nfs/dbraw/zinc/06/74/04/557067404.db2.gz PQTJRKMHEZGFNG-UHFFFAOYSA-N -1 1 447.388 3.966 50 0 IHAAMM C[C@@H]1C[C@@H](C)CN(c2nnc(SCC(=O)c3ccc([O-])cc3O)n2Cc2ccco2)C1 ZINC000011427120 557146730 /nfs/dbraw/zinc/14/67/30/557146730.db2.gz ZHJYMKWQVDQBHK-HUUCEWRRSA-N -1 1 442.541 3.788 50 0 IHAAMM COc1ccc(Br)c(C(=O)[O-])c1NS(=O)(=O)c1cccc(Cl)c1C ZINC000072301094 557221138 /nfs/dbraw/zinc/22/11/38/557221138.db2.gz XBSHSGYTGQQPNO-UHFFFAOYSA-N -1 1 434.695 3.919 50 0 IHAAMM O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000026986384 557253149 /nfs/dbraw/zinc/25/31/49/557253149.db2.gz PXXSVNHQDICNAF-UHFFFAOYSA-N -1 1 435.505 3.632 50 0 IHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc4nnc(-c5ccccn5)n4n3)cc2)cc1 ZINC000011665573 557285785 /nfs/dbraw/zinc/28/57/85/557285785.db2.gz IAFRHTZZEUQKDI-UHFFFAOYSA-N -1 1 442.504 3.963 50 0 IHAAMM Cc1ccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccc2C)cc1F ZINC000101628045 557293040 /nfs/dbraw/zinc/29/30/40/557293040.db2.gz YZKLHHYFAPKJPA-KDURUIRLSA-N -1 1 444.528 3.919 50 0 IHAAMM Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000101628496 557293324 /nfs/dbraw/zinc/29/33/24/557293324.db2.gz CVBXQQOMGSSPCH-CALCHBBNSA-N -1 1 448.491 3.749 50 0 IHAAMM Cc1ccc(NC(=O)c2ccc(NC(=O)Cc3sc(N4CCCC4)nc3[O-])cc2)cc1 ZINC000014683194 557369372 /nfs/dbraw/zinc/36/93/72/557369372.db2.gz VPXDYCHLKFLWKP-LJQANCHMSA-N -1 1 436.537 3.670 50 0 IHAAMM CCOC(=O)C(=C([O-])CSc1nc(C2CC2)n(-c2ccccc2)n1)c1nc(C)cs1 ZINC000103124254 557419415 /nfs/dbraw/zinc/41/94/15/557419415.db2.gz INOKKCJHZGPOHE-QGZVFWFLSA-N -1 1 442.566 3.918 50 0 IHAAMM CCc1ccccc1NC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccc(F)c(F)c1 ZINC000051316758 557465431 /nfs/dbraw/zinc/46/54/31/557465431.db2.gz JPMQSXDUKVHHDM-UHFFFAOYSA-N -1 1 441.463 3.680 50 0 IHAAMM Cc1cc(NC(=O)c2cc(Br)ccc2Cl)n(-c2nc(C)c(C)c(=O)[n-]2)n1 ZINC000009660385 562974838 /nfs/dbraw/zinc/97/48/38/562974838.db2.gz NNVUIGRLEXSZBS-UHFFFAOYSA-N -1 1 436.697 3.549 50 0 IHAAMM COc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4Cl)[n-]c(=O)c32)cc1O ZINC000086057417 568642719 /nfs/dbraw/zinc/64/27/19/568642719.db2.gz VXQNHJRQEJFQPO-CYBMUJFWSA-N -1 1 443.912 3.904 50 0 IHAAMM C[C@H]1CSc2ccc(S(=O)(=O)[N-]c3cccc(Br)c3)cc2NC1=O ZINC000015730846 568814224 /nfs/dbraw/zinc/81/42/24/568814224.db2.gz PJNRYSIQGRCPOA-JTQLQIEISA-N -1 1 427.345 3.930 50 0 IHAAMM CCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc21 ZINC000015781451 568825999 /nfs/dbraw/zinc/82/59/99/568825999.db2.gz HFECXWCHDAWLEO-UHFFFAOYSA-N -1 1 436.599 3.887 50 0 IHAAMM COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3cnn(C)c3C)CC(=O)O4)c2=O)cc1 ZINC000085877081 568838471 /nfs/dbraw/zinc/83/84/71/568838471.db2.gz KWQYNBIKZXLACB-HNNXBMFYSA-N -1 1 432.432 3.657 50 0 biogenic IHAAMM COc1ccc(-c2coc3c4c(cc(=O)c-3c2[O-])OC(=O)C[C@H]4c2cnn(C)c2C)cc1 ZINC000085877081 568838473 /nfs/dbraw/zinc/83/84/73/568838473.db2.gz KWQYNBIKZXLACB-HNNXBMFYSA-N -1 1 432.432 3.657 50 0 biogenic IHAAMM COc1cccc(S(=O)(=O)[N-]c2ccc(Oc3nc4ccccc4n4cnnc34)cc2)c1 ZINC000065096418 569103533 /nfs/dbraw/zinc/10/35/33/569103533.db2.gz IVCOZGFGIKBDKV-UHFFFAOYSA-N -1 1 447.476 3.879 50 0 IHAAMM Cc1ccc(-c2noc(C(=O)N3CCCCCC3)n2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000065319127 569134712 /nfs/dbraw/zinc/13/47/12/569134712.db2.gz FJLCJMRNDGTTBM-UHFFFAOYSA-N -1 1 440.525 3.862 50 0 IHAAMM O=C(NCc1ccco1)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000002938407 569426392 /nfs/dbraw/zinc/42/63/92/569426392.db2.gz NLZDBAFCBYERAW-UHFFFAOYSA-N -1 1 435.299 3.773 50 0 IHAAMM COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc1 ZINC000003316083 569445690 /nfs/dbraw/zinc/44/56/90/569445690.db2.gz DTPFPMHRFPLIFR-UHFFFAOYSA-N -1 1 440.477 3.520 50 0 IHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1OC ZINC000008840915 569478443 /nfs/dbraw/zinc/47/84/43/569478443.db2.gz KNSSNIITXHSXID-UHFFFAOYSA-N -1 1 432.542 3.830 50 0 IHAAMM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CCC2)cc(OC)c1 ZINC000009152523 569507818 /nfs/dbraw/zinc/50/78/18/569507818.db2.gz XDOXCJNQODPKQB-CQSZACIVSA-N -1 1 430.526 3.582 50 0 IHAAMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(CCN2C(=O)c3cccnc3C2=O)cc1 ZINC000009153162 569507985 /nfs/dbraw/zinc/50/79/85/569507985.db2.gz YTRRXXXEZQVEFS-UHFFFAOYSA-N -1 1 449.532 3.592 50 0 IHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)cc2)cc1 ZINC000009203430 569511301 /nfs/dbraw/zinc/51/13/01/569511301.db2.gz HAMLODCHUPZLSU-UHFFFAOYSA-N -1 1 449.532 3.940 50 0 IHAAMM O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)NCCc1ccc(O)cc1 ZINC000009547902 569546432 /nfs/dbraw/zinc/54/64/32/569546432.db2.gz BRCCGSZEZBXMMQ-UHFFFAOYSA-N -1 1 431.444 3.609 50 0 biogenic IHAAMM O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)NCCc1ccc(O)cc1 ZINC000009547902 569546433 /nfs/dbraw/zinc/54/64/33/569546433.db2.gz BRCCGSZEZBXMMQ-UHFFFAOYSA-N -1 1 431.444 3.609 50 0 biogenic IHAAMM COc1ccc(-c2nc3cc(=O)[n-]n3c(SCCOc3ccc(Cl)cc3)n2)cc1 ZINC000009641258 569555604 /nfs/dbraw/zinc/55/56/04/569555604.db2.gz CZQBRNUVQSBJFU-UHFFFAOYSA-N -1 1 428.901 3.918 50 0 IHAAMM Cc1cc(NC(=O)C2c3ccccc3Oc3ccccc32)n(-c2nc(C)c(C)c(=O)[n-]2)n1 ZINC000009660390 569556747 /nfs/dbraw/zinc/55/67/47/569556747.db2.gz CKLPTIUNHWRDLI-UHFFFAOYSA-N -1 1 427.464 3.757 50 0 IHAAMM Cc1sc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)c(C(N)=O)c1C ZINC000009714905 569562955 /nfs/dbraw/zinc/56/29/55/569562955.db2.gz WNDVVUBEEOIKEF-UHFFFAOYSA-N -1 1 429.523 3.517 50 0 IHAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(-n3c(C)nc4ccccc4c3=O)c2)cc1C ZINC000009715045 569563027 /nfs/dbraw/zinc/56/30/27/569563027.db2.gz RTFZQROSUYKAED-UHFFFAOYSA-N -1 1 435.505 3.812 50 0 IHAAMM COc1ccc(S(=O)(=O)[N-]c2cccc(-n3c(C)nc4ccccc4c3=O)c2)cc1F ZINC000009715068 569563032 /nfs/dbraw/zinc/56/30/32/569563032.db2.gz FLYKGFRMFFKBGE-UHFFFAOYSA-N -1 1 439.468 3.643 50 0 IHAAMM Cc1noc(C)c1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009971100 569576244 /nfs/dbraw/zinc/57/62/44/569576244.db2.gz KZEMEUGYHZYFFQ-UHFFFAOYSA-N -1 1 443.481 3.506 50 0 IHAAMM CC(C)c1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2NC(=O)c2cc(-c3ccco3)on2)n1 ZINC000012008013 519831029 /nfs/dbraw/zinc/83/10/29/519831029.db2.gz SYXNASKAAHBQEB-UHFFFAOYSA-N -1 1 446.423 3.839 50 0 IHAAMM CCCCC[C@H](C)NC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1 ZINC000012902769 520307158 /nfs/dbraw/zinc/30/71/58/520307158.db2.gz WVSHDPASHXJIKF-LPHOPBHVSA-N -1 1 444.601 3.808 50 0 IHAAMM CCCc1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)c2cc(-c3ccccc3)on2)n1 ZINC000012125810 521341688 /nfs/dbraw/zinc/34/16/88/521341688.db2.gz QWKQHTHPRFWTGS-UHFFFAOYSA-N -1 1 430.468 3.693 50 0 IHAAMM CCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000012584462 521690141 /nfs/dbraw/zinc/69/01/41/521690141.db2.gz DLVIEBGFVGGULA-UHFFFAOYSA-N -1 1 427.853 3.953 50 0 IHAAMM CCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3C)cc2s1 ZINC000033298895 521694895 /nfs/dbraw/zinc/69/48/95/521694895.db2.gz FTHIBJHQOMEQBH-UHFFFAOYSA-N -1 1 430.960 3.853 50 0 IHAAMM COCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)CCC1 ZINC000033277516 523315414 /nfs/dbraw/zinc/31/54/14/523315414.db2.gz DMOLVRQPZGOFNT-UHFFFAOYSA-N -1 1 436.961 3.715 50 0 IHAAMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000012545480 524116062 /nfs/dbraw/zinc/11/60/62/524116062.db2.gz ZELHAHHBFGKQLL-UHFFFAOYSA-N -1 1 427.961 3.918 50 0 IHAAMM COc1ccc(NC(=O)CCn2c(=S)[n-]nc2-c2cccc(C)c2)cc1NC(C)=O ZINC000012758487 524487960 /nfs/dbraw/zinc/48/79/60/524487960.db2.gz JOUGRQRTVFOQSQ-UHFFFAOYSA-N -1 1 425.514 3.912 50 0 IHAAMM COc1ccc(NS(=O)(=O)c2ccc([O-])c(NC(=O)c3ccc[nH]c3=S)c2)cc1 ZINC000012526021 524696226 /nfs/dbraw/zinc/69/62/26/524696226.db2.gz DWMMATQXJHQCQI-UHFFFAOYSA-N -1 1 431.495 3.511 50 0 IHAAMM COc1ccc2nc(-c3ccc(C)c([N-]S(=O)(=O)c4ccc(C(C)=O)cc4)c3)cn2n1 ZINC000012441337 525655200 /nfs/dbraw/zinc/65/52/00/525655200.db2.gz ZLVKMFSEDIERLN-UHFFFAOYSA-N -1 1 436.493 3.717 50 0 IHAAMM COc1cccc(CSc2nc(C)c(CC(=O)NCc3ccccc3Cl)c(=O)[n-]2)c1 ZINC000023138555 526067670 /nfs/dbraw/zinc/06/76/70/526067670.db2.gz AYPFOJQISGMNSA-UHFFFAOYSA-N -1 1 443.956 3.892 50 0 IHAAMM O=C(c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1Cl)N1CCOCC1 ZINC000012557026 526627544 /nfs/dbraw/zinc/62/75/44/526627544.db2.gz JBXDTXOWILQITI-UHFFFAOYSA-N -1 1 448.850 3.632 50 0 IHAAMM O=S(=O)([N-]c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(Cl)cc1 ZINC000012753505 527248168 /nfs/dbraw/zinc/24/81/68/527248168.db2.gz QSPJNWDKUJGFPS-UHFFFAOYSA-N -1 1 449.381 3.969 50 0 IHAAMM O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000012755055 527358382 /nfs/dbraw/zinc/35/83/82/527358382.db2.gz SIKHMXFFXVIKOM-UHFFFAOYSA-N -1 1 435.505 3.867 50 0 IHAAMM O=C(NC1CCC(O)CC1)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000012604510 527500685 /nfs/dbraw/zinc/50/06/85/527500685.db2.gz DNRFMZUZPNVNNC-UHFFFAOYSA-N -1 1 443.352 3.828 50 0 IHAAMM COc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)c1 ZINC000000631139 555514814 /nfs/dbraw/zinc/51/48/14/555514814.db2.gz ZDTNYMGGJPQPLA-UHFFFAOYSA-N -1 1 440.477 3.520 50 0 IHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)cc1 ZINC000000675464 555534317 /nfs/dbraw/zinc/53/43/17/555534317.db2.gz PNKPZOLPEWCXGO-UHFFFAOYSA-N -1 1 430.551 3.617 50 0 IHAAMM O=C(c1ccccc1[O-])N1N=C(c2ccc(Br)cc2)C[C@@]1(O)C(F)(F)F ZINC000001215083 555683636 /nfs/dbraw/zinc/68/36/36/555683636.db2.gz ILRNJSYWKDGDIJ-MRXNPFEDSA-N -1 1 429.192 3.656 50 0 IHAAMM Cc1ccc(NC(=O)CS[C@H](C)C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cc1 ZINC000010571969 556089970 /nfs/dbraw/zinc/08/99/70/556089970.db2.gz YJOSXSZYQJKVIW-CQSZACIVSA-N -1 1 427.478 3.611 50 0 IHAAMM CCOC(=O)[C@@]([N-]c1ccc(C(C)=O)cc1)(NC(=O)c1ccccc1OC)C(F)(F)F ZINC000008637085 556195051 /nfs/dbraw/zinc/19/50/51/556195051.db2.gz RDYYJFZMZMZLSY-HXUWFJFHSA-N -1 1 438.402 3.561 50 0 IHAAMM O=C1N[C@H](c2ccc(C(F)(F)F)cc2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000008741778 556206992 /nfs/dbraw/zinc/20/69/92/556206992.db2.gz OIZHACYCJSJBLX-CKEIUWERSA-N -1 1 432.320 3.809 50 0 IHAAMM O=C([O-])c1ccccc1[C@@H]1c2c(O)n(-c3ccc(F)cc3)c(O)c2ON1c1ccccc1 ZINC000013759257 556301531 /nfs/dbraw/zinc/30/15/31/556301531.db2.gz VARXRXVMXBPTGE-NJDAHSKKSA-N -1 1 432.407 3.575 50 0 IHAAMM Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C)c(C)c3)[n-]c2=O)cc1 ZINC000009908979 556316311 /nfs/dbraw/zinc/31/63/11/556316311.db2.gz FNDXUSNZMGSRJL-UHFFFAOYSA-N -1 1 443.550 3.671 50 0 IHAAMM CCc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)cc1 ZINC000013949187 556344263 /nfs/dbraw/zinc/34/42/63/556344263.db2.gz RUWBFJZXXNFKJE-IRXDYDNUSA-N -1 1 436.599 3.716 50 0 IHAAMM COC(=O)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2C)cc1 ZINC000011851521 556367521 /nfs/dbraw/zinc/36/75/21/556367521.db2.gz UITDEGKNHFENLB-DNVJHFABSA-N -1 1 442.471 3.833 50 0 IHAAMM CCCc1cc(=O)[n-]c(SCC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)n1 ZINC000032671871 556414406 /nfs/dbraw/zinc/41/44/06/556414406.db2.gz BSRAFLRNSUUKDM-HNNXBMFYSA-N -1 1 428.539 3.847 50 0 IHAAMM CC(C)n1c(CCNC(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)n[n-]c1=S ZINC000072289111 556483156 /nfs/dbraw/zinc/48/31/56/556483156.db2.gz DCOLPRYZWOGDQS-UHFFFAOYSA-N -1 1 437.591 3.602 50 0 IHAAMM NC(=O)Nc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)c1 ZINC000029804806 556483212 /nfs/dbraw/zinc/48/32/12/556483212.db2.gz GNSUQTWHEYMWAR-UHFFFAOYSA-N -1 1 446.435 3.509 50 0 IHAAMM COc1cccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CCCCC4)CC3)cc2)c1 ZINC000015869607 556560273 /nfs/dbraw/zinc/56/02/73/556560273.db2.gz ZDMATZXTGPCSAG-UHFFFAOYSA-N -1 1 428.554 3.977 50 0 IHAAMM COc1ccc(OC)c(S(=O)(=O)Nc2ccc(N3CCCCCCC3)c(C(=O)[O-])c2)c1 ZINC000032962174 556580299 /nfs/dbraw/zinc/58/02/99/556580299.db2.gz OCERLAWQCRLRAD-UHFFFAOYSA-N -1 1 448.541 3.973 50 0 IHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC000016426813 556606792 /nfs/dbraw/zinc/60/67/92/556606792.db2.gz KEBJSSFRCQBYPF-UHFFFAOYSA-N -1 1 449.576 3.754 50 0 IHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2ccco2)CC3)cc1Cl ZINC000013696628 556712511 /nfs/dbraw/zinc/71/25/11/556712511.db2.gz XKPFKMRWAJBGEW-UHFFFAOYSA-N -1 1 432.885 3.945 50 0 IHAAMM O=C(Nc1cccc(Cl)c1)[C@@H]1CC(=O)Nc2nc(SCc3ccccc3)[n-]c(=O)c21 ZINC000046074555 557030619 /nfs/dbraw/zinc/03/06/19/557030619.db2.gz SEOUKMXJDOVIAJ-OAHLLOKOSA-N -1 1 440.912 3.780 50 0 IHAAMM CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(SCc3ccccc3)[n-]c(=O)c21 ZINC000046074592 557030705 /nfs/dbraw/zinc/03/07/05/557030705.db2.gz QDOVYGWRSQMESB-MRXNPFEDSA-N -1 1 434.521 3.689 50 0 IHAAMM O=C(Nc1ccccc1)[C@H]1CC(=O)Nc2nc(SCc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000046075079 557031468 /nfs/dbraw/zinc/03/14/68/557031468.db2.gz ZMBMLVDQXYMZST-HNNXBMFYSA-N -1 1 440.912 3.780 50 0 IHAAMM Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCCc4ccccc4)[n-]c(=O)c32)c(C)c1 ZINC000046075492 557031972 /nfs/dbraw/zinc/03/19/72/557031972.db2.gz QPLCGGFQDLWRJV-KRWDZBQOSA-N -1 1 448.548 3.786 50 0 IHAAMM CCC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)ccc21 ZINC000017248163 557041979 /nfs/dbraw/zinc/04/19/79/557041979.db2.gz UKJKYEGORVZTLQ-UHFFFAOYSA-N -1 1 429.542 3.771 50 0 IHAAMM Cc1nc2ccccc2c(C)c1CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000017360346 557069345 /nfs/dbraw/zinc/06/93/45/557069345.db2.gz ISHMZRYVYQLZCB-UHFFFAOYSA-N -1 1 439.537 3.523 50 0 IHAAMM CCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3cccc(Cl)c3C)cc2s1 ZINC000033298924 557074849 /nfs/dbraw/zinc/07/48/49/557074849.db2.gz XAWGGKMNQVBDEH-UHFFFAOYSA-N -1 1 430.960 3.853 50 0 IHAAMM CS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)cc2s1 ZINC000033298947 557075074 /nfs/dbraw/zinc/07/50/74/557075074.db2.gz IOIJXYCXDRQZCW-UHFFFAOYSA-N -1 1 436.458 3.519 50 0 IHAAMM O=C1C[C@@H](Sc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)C(=O)N1c1ccccc1 ZINC000112292710 557077743 /nfs/dbraw/zinc/07/77/43/557077743.db2.gz TXRVWKQQQKQKPP-HXUWFJFHSA-N -1 1 438.530 3.912 50 0 IHAAMM COc1ccc(NC(C)=O)cc1NC(=O)CCn1c(=S)[n-]nc1-c1ccc(C)cc1 ZINC000011658388 557229702 /nfs/dbraw/zinc/22/97/02/557229702.db2.gz QZSJVLUIWAIWON-UHFFFAOYSA-N -1 1 425.514 3.912 50 0 IHAAMM CCSc1nc(=O)c2sc3nc(N4CCOCC4)c4c(c3c2[n-]1)CC(C)(C)OC4 ZINC000018151932 557243847 /nfs/dbraw/zinc/24/38/47/557243847.db2.gz SAXXBEZMVSEEBQ-UHFFFAOYSA-N -1 1 432.571 3.745 50 0 IHAAMM CCCCCN1C(=O)[N-]C(=O)[C@]2(Cc3cc4cc(C)ccc4nc3N3CCCC[C@@H]32)C1=O ZINC000018168746 557245299 /nfs/dbraw/zinc/24/52/99/557245299.db2.gz KMGLCUSCTIDFPJ-CJFMBICVSA-N -1 1 434.540 3.713 50 0 IHAAMM CCOC(=O)C(=C([O-])CSc1nnc(-c2ccc(C)cc2)n1C)c1nc(C)cs1 ZINC000103034697 557416064 /nfs/dbraw/zinc/41/60/64/557416064.db2.gz PGXJPHYXLWICOB-INIZCTEOSA-N -1 1 430.555 3.564 50 0 IHAAMM Cc1cccc(NC(=O)CSc2nc3[nH]ncc3c(=O)n2-c2ccc(F)c(F)c2)c1C ZINC000051316764 557465539 /nfs/dbraw/zinc/46/55/39/557465539.db2.gz ARWAZCQSDUUBKS-UHFFFAOYSA-N -1 1 441.463 3.735 50 0 IHAAMM COc1ccc(Cl)c([N-]S(=O)(=O)c2cnn(-c3cc(Cl)ccc3OC)c2)c1 ZINC000225408825 557719602 /nfs/dbraw/zinc/71/96/02/557719602.db2.gz KQPUQQPWAMXZPH-UHFFFAOYSA-N -1 1 428.297 3.997 50 0 IHAAMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)Cc3cnccc3C)c2)cc1 ZINC000225436434 557722761 /nfs/dbraw/zinc/72/27/61/557722761.db2.gz MKAWJQOPGYIXPX-UHFFFAOYSA-N -1 1 439.537 3.862 50 0 IHAAMM CCOC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)CC1 ZINC000009096774 562967018 /nfs/dbraw/zinc/96/70/18/562967018.db2.gz CMWMSMHAXFOQND-UHFFFAOYSA-N -1 1 444.553 3.520 50 0 IHAAMM COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccn3cncc3c2)ccc1C ZINC000084190143 568796023 /nfs/dbraw/zinc/79/60/23/568796023.db2.gz PSXLNJSBXDNGET-UHFFFAOYSA-N -1 1 436.493 3.704 50 0 IHAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2)c1C ZINC000015564802 568798352 /nfs/dbraw/zinc/79/83/52/568798352.db2.gz KKAXZNAOMGHHJF-UHFFFAOYSA-N -1 1 436.493 3.526 50 0 IHAAMM COC(=O)c1cc([N-]S(=O)(=O)c2c(F)cc(F)cc2Br)c(F)cc1F ZINC000013001718 568898336 /nfs/dbraw/zinc/89/83/36/568898336.db2.gz UPVBYDZGVUHUES-UHFFFAOYSA-N -1 1 442.184 3.593 50 0 IHAAMM CCCc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1 ZINC000089960461 569168946 /nfs/dbraw/zinc/16/89/46/569168946.db2.gz FTPWYEXXUWNFKU-UHFFFAOYSA-N -1 1 436.599 3.923 50 0 IHAAMM Cc1csc2nc(-c3cccc([N-]S(=O)(=O)c4ccc5c(c4)OCCO5)c3)cn12 ZINC000017144088 569174650 /nfs/dbraw/zinc/17/46/50/569174650.db2.gz OHKQKCDTYFVHKU-UHFFFAOYSA-N -1 1 427.507 3.943 50 0 IHAAMM COC(=O)[C@]([N-]c1nc(C2CC2)cs1)(NC(=O)c1ccccc1Cl)C(F)(F)F ZINC000002191917 569190613 /nfs/dbraw/zinc/19/06/13/569190613.db2.gz QXVUNTWLMSNBLL-MRXNPFEDSA-N -1 1 433.839 3.947 50 0 IHAAMM COc1ccc(-c2nnc(SCc3nn(C)c(=O)[n-]3)n2-c2ccccc2C(C)C)cc1 ZINC000095468087 569371201 /nfs/dbraw/zinc/37/12/01/569371201.db2.gz ADFFVSSSKNKCMJ-UHFFFAOYSA-N -1 1 436.541 3.780 50 0 IHAAMM COC(=O)C[C@@H](c1cc2cccc3c2n(c1=O)CCC3)c1c([O-])ccc2c(C)cc(=O)oc21 ZINC000096220861 569386786 /nfs/dbraw/zinc/38/67/86/569386786.db2.gz VZYINRNNLUPWPI-SFHVURJKSA-N -1 1 445.471 3.763 50 0 biogenic IHAAMM Cc1ccccc1[N-]S(=O)(=O)c1cc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)ccc1C ZINC000096287068 569390337 /nfs/dbraw/zinc/39/03/37/569390337.db2.gz PWSWRZIHJUSABO-KDURUIRLSA-N -1 1 426.538 3.779 50 0 IHAAMM O=C(NC[C@H]1CCCO1)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1Cl ZINC000003515942 569453117 /nfs/dbraw/zinc/45/31/17/569453117.db2.gz NQGCWLARALFSHO-CQSZACIVSA-N -1 1 429.325 3.703 50 0 IHAAMM COc1ccccc1-n1c(=O)c2ccccc2nc1SCC(=O)c1ccc([O-])cc1O ZINC000003533161 569453452 /nfs/dbraw/zinc/45/34/52/569453452.db2.gz LJULUZUCQCVYCQ-UHFFFAOYSA-N -1 1 434.473 3.781 50 0 IHAAMM CC[C@@H]1CCCCN1C(=O)CSc1nc2c(c(=O)[n-]1)CN(Cc1ccc(F)cc1)CC2 ZINC000067291517 569467631 /nfs/dbraw/zinc/46/76/31/569467631.db2.gz PQUAYDBACTZYDN-GOSISDBHSA-N -1 1 444.576 3.763 50 0 IHAAMM Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)Cc3cn4ccsc4n3)ccc2C)c1 ZINC000008709804 569470769 /nfs/dbraw/zinc/47/07/69/569470769.db2.gz CRWNRVIJKIDVCF-UHFFFAOYSA-N -1 1 440.550 3.995 50 0 IHAAMM COC(=O)[C@]([N-]c1nc(C2CC2)cs1)(NC(=O)c1ccc(Cl)cc1)C(F)(F)F ZINC000008846301 569479034 /nfs/dbraw/zinc/47/90/34/569479034.db2.gz IHWHSKJPXREHMW-MRXNPFEDSA-N -1 1 433.839 3.947 50 0 IHAAMM COC(=O)[C@@]([N-]c1nc(C2CC2)cs1)(NC(=O)c1ccc(Cl)cc1)C(F)(F)F ZINC000008846300 569479068 /nfs/dbraw/zinc/47/90/68/569479068.db2.gz IHWHSKJPXREHMW-INIZCTEOSA-N -1 1 433.839 3.947 50 0 IHAAMM CCOC(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)CC1 ZINC000009097228 569501522 /nfs/dbraw/zinc/50/15/22/569501522.db2.gz HVSYMIHVBVZIHP-UHFFFAOYSA-N -1 1 444.553 3.520 50 0 IHAAMM CC(=O)N1c2cc(S(=O)(=O)[N-]c3ccccc3F)c(Br)cc2C[C@@H]1C ZINC000040450609 569506361 /nfs/dbraw/zinc/50/63/61/569506361.db2.gz UGBBKYFINRXBSI-JTQLQIEISA-N -1 1 427.295 3.687 50 0 IHAAMM Cc1ccnc(SCc2nc3cc([N-]S(=O)(=O)c4ccccc4)ccc3n2C)n1 ZINC000009421468 569532759 /nfs/dbraw/zinc/53/27/59/569532759.db2.gz CMVWYXKDGVUFIB-UHFFFAOYSA-N -1 1 425.539 3.765 50 0 IHAAMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCCc3ccccc3F)cc2)cc1 ZINC000009549050 569546552 /nfs/dbraw/zinc/54/65/52/569546552.db2.gz YLKRBWLRMCDNFW-UHFFFAOYSA-N -1 1 428.485 3.608 50 0 IHAAMM COc1cccc(OCCCSc2nc(-c3ccccc3F)nc3cc(=O)[n-]n32)c1 ZINC000009640967 569555593 /nfs/dbraw/zinc/55/55/93/569555593.db2.gz AATJFZAUNGDSLN-UHFFFAOYSA-N -1 1 426.473 3.794 50 0 IHAAMM Cc1sc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(C(N)=O)c1C ZINC000009714766 569562869 /nfs/dbraw/zinc/56/28/69/569562869.db2.gz WNVKWUBRWPFUIZ-UHFFFAOYSA-N -1 1 429.523 3.517 50 0 IHAAMM CCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)C2c3ccccc3Oc3ccccc32)n1 ZINC000009822201 569569482 /nfs/dbraw/zinc/56/94/82/569569482.db2.gz ROFDQRWDAAXGCB-UHFFFAOYSA-N -1 1 427.464 3.703 50 0 IHAAMM CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3C)[n-]c2=O)cc1 ZINC000009939072 569573864 /nfs/dbraw/zinc/57/38/64/569573864.db2.gz OJWWLRCDJDPSOQ-UHFFFAOYSA-N -1 1 443.550 3.617 50 0 IHAAMM Cc1nn2c(-c3ccc(S(=O)(=O)[N-][C@H](C)c4ccccc4)o3)nnc2c2ccccc12 ZINC000009942707 569574090 /nfs/dbraw/zinc/57/40/90/569574090.db2.gz PANTWCBZCCPNMM-CQSZACIVSA-N -1 1 433.493 3.885 50 0 IHAAMM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000009708652 132236840 /nfs/dbraw/zinc/23/68/40/132236840.db2.gz KERJEBOLYWNFOX-UHFFFAOYSA-N -1 1 435.343 3.784 50 0 IHAAMM O=C1[N-]C(=O)[C@@]2(Cc3cc4ccccc4nc3N3CCCC[C@@H]32)C(=O)N1C1CCCCC1 ZINC000009166817 132307508 /nfs/dbraw/zinc/30/75/08/132307508.db2.gz LVGZWTUKNPJEAR-NLFFAJNJSA-N -1 1 432.524 3.547 50 0 IHAAMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@H](C)S3)cc1 ZINC000009406959 132315849 /nfs/dbraw/zinc/31/58/49/132315849.db2.gz KZKQZYDCPHOGRV-ZDUSSCGKSA-N -1 1 434.539 3.511 50 0 IHAAMM CCCNC(=O)c1c[n-]c2ccc(S(=O)(=O)N(C)c3ccc(C(C)C)cc3)cc2c1=O ZINC000020765291 519897403 /nfs/dbraw/zinc/89/74/03/519897403.db2.gz YWYWDUSQGBROFR-UHFFFAOYSA-N -1 1 441.553 3.616 50 0 IHAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2csc(-c3cccs3)n2)c1 ZINC000012771406 520805796 /nfs/dbraw/zinc/80/57/96/520805796.db2.gz UZNIOSIAHQYKIM-UHFFFAOYSA-N -1 1 437.568 3.860 50 0 IHAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CCCc2nc3ccccc3s2)c1 ZINC000022024545 520806149 /nfs/dbraw/zinc/80/61/49/520806149.db2.gz CKAMLKDRCVPSEU-UHFFFAOYSA-N -1 1 447.582 3.994 50 0 IHAAMM CCOC(=O)N1CCN([C@@H](C(=O)[O-])c2c[nH]c3cc(OCc4ccccc4)ccc32)CC1 ZINC000012409308 520957617 /nfs/dbraw/zinc/95/76/17/520957617.db2.gz PJIQDVDAPJJRML-JOCHJYFZSA-N -1 1 437.496 3.647 50 0 IHAAMM CCCc1cc(=O)[n-]c(S[C@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000012566768 521346679 /nfs/dbraw/zinc/34/66/79/521346679.db2.gz HDWBVWSIUCNEEP-SJORKVTESA-N -1 1 442.006 3.758 50 0 IHAAMM CN(C)S(=O)(=O)c1ccc(-c2nnc([N-]C(=O)c3cc(Cl)sc3Cl)o2)cc1 ZINC000035590054 521975606 /nfs/dbraw/zinc/97/56/06/521975606.db2.gz LWGCZRZSPNRQPB-UHFFFAOYSA-N -1 1 447.325 3.608 50 0 IHAAMM COc1ccc([N-]S(=O)(=O)c2cccc(NC(=O)c3[nH]c(C)c(C(C)=O)c3C)c2)cc1 ZINC000012526034 524697342 /nfs/dbraw/zinc/69/73/42/524697342.db2.gz SLHPCIAXIUISSZ-UHFFFAOYSA-N -1 1 441.509 3.896 50 0 IHAAMM Cc1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)Cc2ccc(-c3ccccc3)cc2)n1 ZINC000012123826 526119757 /nfs/dbraw/zinc/11/97/57/526119757.db2.gz GIRXJSCAGGKXBT-UHFFFAOYSA-N -1 1 425.492 3.990 50 0 IHAAMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N2CCOCC2)c1 ZINC000008826193 534907407 /nfs/dbraw/zinc/90/74/07/534907407.db2.gz LAYWIUSLNJVOMF-UHFFFAOYSA-N -1 1 428.432 3.545 50 0 IHAAMM O=C(Nc1ccccc1N1CCOCC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000012605072 527427063 /nfs/dbraw/zinc/42/70/63/527427063.db2.gz MXCWUSGBXOFORP-UHFFFAOYSA-N -1 1 437.521 3.576 50 0 IHAAMM CN1CCN(c2ccccc2[N-]S(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000009468135 536424840 /nfs/dbraw/zinc/42/48/40/536424840.db2.gz HSGGNPHDPFXPJA-UHFFFAOYSA-N -1 1 444.782 3.655 50 0 IHAAMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c(C)c1 ZINC000000986427 555595109 /nfs/dbraw/zinc/59/51/09/555595109.db2.gz ZAJYDZITVRGBLR-UHFFFAOYSA-N -1 1 436.599 3.833 50 0 IHAAMM CN(c1nc([O-])c(CC(=O)Nc2ccc(Br)cc2)s1)c1ccc(O)cc1 ZINC000001143232 555651273 /nfs/dbraw/zinc/65/12/73/555651273.db2.gz GUVYFAHTUWJAQV-HNNXBMFYSA-N -1 1 434.315 3.618 50 0 aggregator IHAAMM CCOc1cc2c(cc1NC(=O)Cn1c(=S)[n-]nc1-c1ccc(OC)cc1)O[C@H](C)C2 ZINC000029129553 556468139 /nfs/dbraw/zinc/46/81/39/556468139.db2.gz HPUZGIPKNMHLJT-CYBMUJFWSA-N -1 1 440.525 3.977 50 0 IHAAMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)cc1 ZINC000030174341 556491053 /nfs/dbraw/zinc/49/10/53/556491053.db2.gz DPRZVBIJBIDTGW-GOSISDBHSA-N -1 1 437.525 3.672 50 0 IHAAMM Cc1ccc2c(C)nc(Nc3nc(-c4cnc(N5CCCCC5)nc4C)cc(=O)[n-]3)nc2c1 ZINC000039383654 556628438 /nfs/dbraw/zinc/62/84/38/556628438.db2.gz FPENFPJLJHCEKN-UHFFFAOYSA-N -1 1 442.527 3.829 50 0 IHAAMM Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(F)cc2F)[n-]c(=O)c1C ZINC000011855017 556662067 /nfs/dbraw/zinc/66/20/67/556662067.db2.gz VNOAWJASAXTNON-UHFFFAOYSA-N -1 1 427.436 3.831 50 0 IHAAMM CC(C)c1cc(=O)[n-]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccc3c(c2)OCO3)n1 ZINC000011855565 556662090 /nfs/dbraw/zinc/66/20/90/556662090.db2.gz DXLHPPVKXPGHDE-UHFFFAOYSA-N -1 1 449.492 3.789 50 0 IHAAMM Cc1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2NC(=O)Cc2cccc3ccccc32)n1 ZINC000012006420 556680440 /nfs/dbraw/zinc/68/04/40/556680440.db2.gz LXLVVNCHMUNTFC-UHFFFAOYSA-N -1 1 425.448 3.858 50 0 IHAAMM CC(C)CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(CO)CC3)cc2)cc1 ZINC000072312972 556688392 /nfs/dbraw/zinc/68/83/92/556688392.db2.gz URJDTUQSXWOFLV-UHFFFAOYSA-N -1 1 444.597 3.921 50 0 IHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1OC ZINC000013696196 556712021 /nfs/dbraw/zinc/71/20/21/556712021.db2.gz JRWXHDKJVSJQOJ-UHFFFAOYSA-N -1 1 444.534 3.769 50 0 IHAAMM CCc1cc2c(COC(=O)CCC(=O)c3ccc4c(c3)OCCO4)cc(=O)oc2cc1[O-] ZINC000011160145 556753200 /nfs/dbraw/zinc/75/32/00/556753200.db2.gz KOXQTIDMEGQSRU-UHFFFAOYSA-N -1 1 438.432 3.539 50 0 IHAAMM O=S(=O)([N-]c1nn(Cc2ccccc2F)cc1Br)c1ccc(F)c(F)c1 ZINC000019644225 556839028 /nfs/dbraw/zinc/83/90/28/556839028.db2.gz TZULFYLKSGICHA-UHFFFAOYSA-N -1 1 446.248 3.912 50 0 IHAAMM Cc1nn2c(c1-c1ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c1)NC(=O)CCC2=O ZINC000033123153 556864061 /nfs/dbraw/zinc/86/40/61/556864061.db2.gz WAJSGXOPPGXPGN-UHFFFAOYSA-N -1 1 438.509 3.649 50 0 IHAAMM COc1cccc(CSc2nc(C)c(CC(=O)N3CCc4ccccc4C3)c(=O)[n-]2)c1 ZINC000023138550 557021785 /nfs/dbraw/zinc/02/17/85/557021785.db2.gz DIALMXZBBMLKIK-UHFFFAOYSA-N -1 1 435.549 3.507 50 0 IHAAMM O=C([O-])c1cc(NC(=O)c2ccccc2)ccc1N1CCC(CCN2CCOCC2)CC1 ZINC000046053555 557026359 /nfs/dbraw/zinc/02/63/59/557026359.db2.gz RATPTZWVXRGPDQ-UHFFFAOYSA-N -1 1 437.540 3.576 50 0 IHAAMM Cc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)c1 ZINC000046074677 557031154 /nfs/dbraw/zinc/03/11/54/557031154.db2.gz VRSXBSITTVSJPS-KRWDZBQOSA-N -1 1 434.521 3.744 50 0 IHAAMM Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccc(F)cc2)CC(=O)N3)cc1 ZINC000046074944 557031415 /nfs/dbraw/zinc/03/14/15/557031415.db2.gz SGYCGRFTWDMXFL-INIZCTEOSA-N -1 1 438.484 3.574 50 0 IHAAMM O=C(Nc1ccccc1)[C@@H]1CC(=O)Nc2nc(SCc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000046075154 557031449 /nfs/dbraw/zinc/03/14/49/557031449.db2.gz NKORBPBBMMKPOP-OAHLLOKOSA-N -1 1 440.912 3.780 50 0 IHAAMM CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)CC)CCC3)cc1 ZINC000017269632 557048512 /nfs/dbraw/zinc/04/85/12/557048512.db2.gz NYDVLUTZCTXPFR-UHFFFAOYSA-N -1 1 429.542 3.915 50 0 IHAAMM Cc1c(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000023568832 557099471 /nfs/dbraw/zinc/09/94/71/557099471.db2.gz GYKJFQNRLBVKFU-UHFFFAOYSA-N -1 1 445.353 3.764 50 0 IHAAMM CC(C)CNC(=O)C1CCN(c2nc(=O)c3scc(-c4ccccc4F)c3[n-]2)CC1 ZINC000049421051 557107404 /nfs/dbraw/zinc/10/74/04/557107404.db2.gz WNDQECQSAPXLAM-UHFFFAOYSA-N -1 1 428.533 3.779 50 0 IHAAMM O=C(NCc1ccco1)[C@@H]1CCCN(c2nc(=O)c3scc(-c4ccccc4)c3[n-]2)C1 ZINC000049421175 557107743 /nfs/dbraw/zinc/10/77/43/557107743.db2.gz RXDSQNJJBXOECR-MRXNPFEDSA-N -1 1 434.521 3.777 50 0 IHAAMM CCC(=O)N(Cc1ccc(Cl)cc1)c1nn2c([n-]1)nc(C)c(Cc1ccccc1)c2=O ZINC000101861065 557303998 /nfs/dbraw/zinc/30/39/98/557303998.db2.gz YKZYRESMEUWOST-UHFFFAOYSA-N -1 1 435.915 3.913 50 0 IHAAMM CCCCSc1cc2c(cc1[N-]S(=O)(=O)c1ccc(OC)cc1)n(C)c(=O)n2C ZINC000045941065 557549561 /nfs/dbraw/zinc/54/95/61/557549561.db2.gz WUQMJKRMKVFSDV-UHFFFAOYSA-N -1 1 435.571 3.579 50 0 IHAAMM COc1ccc(C(=O)[N-]C(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 ZINC000002641026 562929097 /nfs/dbraw/zinc/92/90/97/562929097.db2.gz WJOYZMUVXWDXKP-UHFFFAOYSA-N -1 1 434.477 3.585 50 0 IHAAMM CC(=O)c1c(C)n(-c2ccccc2)c2cc(Br)c(OCc3nn[n-]n3)cc21 ZINC000106090088 568624759 /nfs/dbraw/zinc/62/47/59/568624759.db2.gz BUAIFCGSBNDWLX-UHFFFAOYSA-N -1 1 426.274 3.996 50 0 IHAAMM O=C1N[C@H](c2ccccc2C(F)(F)F)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000003212460 568742988 /nfs/dbraw/zinc/74/29/88/568742988.db2.gz MWETWNSKBPIWLJ-VBQJREDUSA-N -1 1 432.320 3.809 50 0 IHAAMM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2nn(-c3ncccn3)cc2Br)cc1 ZINC000084726840 568800395 /nfs/dbraw/zinc/80/03/95/568800395.db2.gz IWPFIAFKNPXWNB-LBPRGKRZSA-N -1 1 436.335 3.739 50 0 IHAAMM O=C(NC(=S)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1ccccc1F ZINC000006146890 568846265 /nfs/dbraw/zinc/84/62/65/568846265.db2.gz XBTWQQWTZCWSAQ-UHFFFAOYSA-N -1 1 447.488 3.892 50 0 IHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NC(=S)NC[C@@H]1CCCO1 ZINC000016220319 568873449 /nfs/dbraw/zinc/87/34/49/568873449.db2.gz UWPKTHBEIKCKGQ-INIZCTEOSA-N -1 1 439.990 3.915 50 0 IHAAMM O=C([O-])c1ccccc1[C@@H]1c2c(O)n(-c3ccc(F)cc3)c(O)c2ON1c1ccccc1 ZINC000245240467 568913322 /nfs/dbraw/zinc/91/33/22/568913322.db2.gz VARXRXVMXBPTGE-HBMCJLEFSA-N -1 1 432.407 3.575 50 0 IHAAMM CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000064580469 568934549 /nfs/dbraw/zinc/93/45/49/568934549.db2.gz XVCQHNZFGYLLGP-UHFFFAOYSA-N -1 1 427.501 3.818 50 0 IHAAMM COc1ccccc1CN(C(=O)c1ccc(Cl)cc1)c1nn2c([n-]1)nc(C)c(C)c2=O ZINC000064791898 568959083 /nfs/dbraw/zinc/95/90/83/568959083.db2.gz BZZUDAFOSRCDMQ-UHFFFAOYSA-N -1 1 437.887 3.543 50 0 IHAAMM C[C@@H]1C[C@H](C)C[N@@H+]([C@@H](C(=O)[O-])c2cn(CCC(=O)[O-])c3cc(Br)ccc23)C1 ZINC000036360456 569086393 /nfs/dbraw/zinc/08/63/93/569086393.db2.gz MZXHLOZBLINGGU-QHRIQVFBSA-N -1 1 437.334 3.982 50 0 IHAAMM CCc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)sc2C)cc1 ZINC000065097610 569103993 /nfs/dbraw/zinc/10/39/93/569103993.db2.gz QXVAJEGHTRCUMU-UHFFFAOYSA-N -1 1 446.554 3.706 50 0 IHAAMM COc1ccc([N-]S(=O)(=O)c2ccc3onc(C(=O)N4CCCCC4)c3c2)cc1Cl ZINC000065115331 569106742 /nfs/dbraw/zinc/10/67/42/569106742.db2.gz FCKGNMGPHFJGRJ-UHFFFAOYSA-N -1 1 449.916 3.917 50 0 IHAAMM CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)c1 ZINC000065115725 569106914 /nfs/dbraw/zinc/10/69/14/569106914.db2.gz JMBPQDHGCOGJRC-UHFFFAOYSA-N -1 1 427.482 3.920 50 0 IHAAMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(N3CCCCC3)c2)ccc1OC(C)C ZINC000170617484 569147290 /nfs/dbraw/zinc/14/72/90/569147290.db2.gz WJNYEZMJDFDYNX-UHFFFAOYSA-N -1 1 431.558 3.672 50 0 IHAAMM Cc1cc(NC(=O)CC(c2ccccc2)c2ccccc2)n(-c2nc3c(c(=O)[n-]2)CCC3)n1 ZINC000017011673 569170459 /nfs/dbraw/zinc/17/04/59/569170459.db2.gz DZQNYGCJRIZPEE-UHFFFAOYSA-N -1 1 439.519 3.913 50 0 IHAAMM O=C1N[C@H](c2ccc(Br)cc2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000004163285 569460536 /nfs/dbraw/zinc/46/05/36/569460536.db2.gz DNRBHMCGLHWPTR-CKEIUWERSA-N -1 1 443.219 3.553 50 0 IHAAMM CCCCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OC)c(OC)c1)C(C(=O)OC)=C(C)N2 ZINC000008768860 569475008 /nfs/dbraw/zinc/47/50/08/569475008.db2.gz UJCJUCNMJHWHKN-QGZVFWFLSA-N -1 1 445.541 3.684 50 0 IHAAMM CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c([O-])[nH]c(=O)n(-c2c(C)cc(C)cc2C)c1=O ZINC000009129171 569505610 /nfs/dbraw/zinc/50/56/10/569505610.db2.gz HNJUAMIPPLKZFI-HSZRJFAPSA-N -1 1 444.535 3.605 50 0 IHAAMM CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c(=O)[nH]c(=O)n(-c2c(C)cc(C)cc2C)c1[O-] ZINC000009129171 569505611 /nfs/dbraw/zinc/50/56/11/569505611.db2.gz HNJUAMIPPLKZFI-HSZRJFAPSA-N -1 1 444.535 3.605 50 0 IHAAMM CCOC(=O)C1=C(NC(=O)c2ccc(COC(C)=O)cc2)[N-]c2ccccc2N=C1CC ZINC000009285385 569519198 /nfs/dbraw/zinc/51/91/98/569519198.db2.gz WSDRFKAJNNAILU-UHFFFAOYSA-N -1 1 435.480 3.862 50 0 IHAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000009468057 569538535 /nfs/dbraw/zinc/53/85/35/569538535.db2.gz IXQGWDLNQKEAQI-FUHWJXTLSA-N -1 1 442.537 3.868 50 0 IHAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000009468062 569538547 /nfs/dbraw/zinc/53/85/47/569538547.db2.gz IXQGWDLNQKEAQI-WMZOPIPTSA-N -1 1 442.537 3.868 50 0 IHAAMM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(Br)cc2F)c1C(=O)N1CCCC1 ZINC000009684135 569560530 /nfs/dbraw/zinc/56/05/30/569560530.db2.gz CNFVWXCNWPRUEA-UHFFFAOYSA-N -1 1 444.326 3.570 50 0 IHAAMM CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(C)c3)[n-]c2=O)cc1 ZINC000009969926 569576131 /nfs/dbraw/zinc/57/61/31/569576131.db2.gz AIHDFNKHFXPUAT-UHFFFAOYSA-N -1 1 443.550 3.617 50 0 IHAAMM COc1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1OC ZINC000009983130 569576565 /nfs/dbraw/zinc/57/65/65/569576565.db2.gz BETPPXISVWYEOG-UHFFFAOYSA-N -1 1 440.521 3.743 50 0 IHAAMM COc1ccc(NC(=O)NCCCSc2ccc(F)cc2)cc1[N-]S(C)(=O)=O ZINC000078517774 569586708 /nfs/dbraw/zinc/58/67/08/569586708.db2.gz USDQBKJTGWQIOP-UHFFFAOYSA-N -1 1 427.523 3.510 50 0 IHAAMM CCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2cccc(F)c2)cc1C(=O)[O-] ZINC000035397230 521375956 /nfs/dbraw/zinc/37/59/56/521375956.db2.gz FZDNDSDTPIWKRL-UHFFFAOYSA-N -1 1 429.473 3.746 50 0 IHAAMM CCc1cc2c(cc1S(=O)(=O)[N-]c1ccc3c(c1)OCCO3)[nH]c1c2C(=O)CCC1 ZINC000020990519 523844937 /nfs/dbraw/zinc/84/49/37/523844937.db2.gz XNBHYSZWYIASEX-UHFFFAOYSA-N -1 1 426.494 3.821 50 0 IHAAMM COc1ccc(NC(=O)CCn2c(=S)[n-]nc2-c2ccc(C)cc2)cc1NC(C)=O ZINC000012740690 524488245 /nfs/dbraw/zinc/48/82/45/524488245.db2.gz DHVZTOHJNIQUIO-UHFFFAOYSA-N -1 1 425.514 3.912 50 0 IHAAMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000012552041 525220466 /nfs/dbraw/zinc/22/04/66/525220466.db2.gz RKPXEYXNZYNUQF-INIZCTEOSA-N -1 1 438.505 3.750 50 0 IHAAMM CS(=O)(=O)c1ccc(Cc2nnc([N-]C(=O)c3cc(Cl)sc3Cl)o2)cc1 ZINC000035588420 525249198 /nfs/dbraw/zinc/24/91/98/525249198.db2.gz KIFRDWHYLYMZKY-UHFFFAOYSA-N -1 1 432.310 3.685 50 0 IHAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)cc2)cc1Cl ZINC000020933209 525300129 /nfs/dbraw/zinc/30/01/29/525300129.db2.gz LHBSETMLHMCCGJ-UHFFFAOYSA-N -1 1 441.896 3.640 50 0 IHAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc4nnc(-c5ccncc5)n4n3)c2)cc1 ZINC000012237575 525613682 /nfs/dbraw/zinc/61/36/82/525613682.db2.gz ZYYYUJCDMLQIPI-UHFFFAOYSA-N -1 1 442.504 3.963 50 0 IHAAMM C[C@H](O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3cccs3)cc2)cc1 ZINC000012548683 525858242 /nfs/dbraw/zinc/85/82/42/525858242.db2.gz QIPKUNNSQKRPEX-HNNXBMFYSA-N -1 1 430.551 3.874 50 0 IHAAMM O=C(Nc1ccccc1)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000012631412 527395337 /nfs/dbraw/zinc/39/53/37/527395337.db2.gz TUMYHYRHVSIGJH-UHFFFAOYSA-N -1 1 425.466 3.903 50 0 IHAAMM Cc1ccnc(Sc2ccc([N-]S(=O)(=O)c3ccc4oc(=O)ccc4c3)cc2)n1 ZINC000001501396 555702163 /nfs/dbraw/zinc/70/21/63/555702163.db2.gz ZPSFLEVLWPWRQZ-UHFFFAOYSA-N -1 1 425.491 3.843 50 0 IHAAMM O=C(Cc1sc(N2CCCC2)nc1[O-])Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000028757061 556460587 /nfs/dbraw/zinc/46/05/87/556460587.db2.gz QFKPQHRYONQFOS-GOSISDBHSA-N -1 1 441.940 3.993 50 0 IHAAMM O=C(Cc1sc(NC2CC2)nc1[O-])Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000013102147 556461117 /nfs/dbraw/zinc/46/11/17/556461117.db2.gz ADGSHQWNLTUDRG-QGZVFWFLSA-N -1 1 427.913 3.650 50 0 IHAAMM COc1ccc(CNC(=O)COc2cc(=O)c3c([O-])cc(-c4ccccc4)oc-3c2)cc1 ZINC000013655772 556546317 /nfs/dbraw/zinc/54/63/17/556546317.db2.gz HJWGEUCCOJWNCX-UHFFFAOYSA-N -1 1 431.444 3.869 50 0 biogenic IHAAMM COc1ccc(CNC(=O)COc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c2)cc1 ZINC000013655772 556546322 /nfs/dbraw/zinc/54/63/22/556546322.db2.gz HJWGEUCCOJWNCX-UHFFFAOYSA-N -1 1 431.444 3.869 50 0 biogenic IHAAMM CCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000033274863 556559460 /nfs/dbraw/zinc/55/94/60/556559460.db2.gz SJOQRQYYWLADGX-UHFFFAOYSA-N -1 1 437.359 3.808 50 0 IHAAMM O=c1[n-]c(=S)n(CCc2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)NC(=O)N2 ZINC000016400821 556605736 /nfs/dbraw/zinc/60/57/36/556605736.db2.gz AVDXQIWNRZBSPR-UHFFFAOYSA-N -1 1 438.353 3.604 50 0 IHAAMM CSc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1C(=O)N1CCCCC1 ZINC000016651579 556620668 /nfs/dbraw/zinc/62/06/68/556620668.db2.gz JRVXEUUGQBTEFF-UHFFFAOYSA-N -1 1 447.582 3.794 50 0 IHAAMM Cc1cc([O-])c(CC(Cc2c(O)cc(C)oc2=O)c2ccc(Br)cc2)c(=O)o1 ZINC000016756416 556639254 /nfs/dbraw/zinc/63/92/54/556639254.db2.gz HFVTZSYSQDPIER-UHFFFAOYSA-N -1 1 447.281 3.953 50 0 IHAAMM Cc1cc2c([n-]c(=S)n(NC(=O)CSCc3ccc(F)cc3Cl)c2=O)s1 ZINC000017096722 556660672 /nfs/dbraw/zinc/66/06/72/556660672.db2.gz GTVINAGVWCONIX-UHFFFAOYSA-N -1 1 429.951 3.851 50 0 IHAAMM O=C(c1ccco1)N1CCN(c2nc(=O)c3scc(-c4ccc(Cl)cc4)c3[n-]2)CC1 ZINC000044169387 556666514 /nfs/dbraw/zinc/66/65/14/556666514.db2.gz XGNGQTFLWIOGJD-UHFFFAOYSA-N -1 1 440.912 3.860 50 0 IHAAMM CCc1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2NC(=O)c2cc(-c3ccccc3)on2)n1 ZINC000012007051 556680778 /nfs/dbraw/zinc/68/07/78/556680778.db2.gz PTWKXXUFRAHFIU-UHFFFAOYSA-N -1 1 442.435 3.685 50 0 IHAAMM COCC(=O)Nc1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000033028292 556708930 /nfs/dbraw/zinc/70/89/30/556708930.db2.gz RCYSWADHAILRKO-UHFFFAOYSA-N -1 1 437.949 3.716 50 0 IHAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCc3ccc4c(c3)CC(=O)N4)cc2)c1 ZINC000058158494 556763522 /nfs/dbraw/zinc/76/35/22/556763522.db2.gz ZJHKRQWOPMAMMC-UHFFFAOYSA-N -1 1 449.532 3.529 50 0 IHAAMM Cc1ccc(NC(=O)c2ccc(-n3cnnc3)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000058245637 556775279 /nfs/dbraw/zinc/77/52/79/556775279.db2.gz IFSDLKIRSPHQEJ-UHFFFAOYSA-N -1 1 433.493 3.629 50 0 IHAAMM CC(C)(C)c1ccc(C(=O)[N-]C(=O)COC(=O)/C=C/c2ccc(Br)o2)cc1 ZINC000002650317 556802194 /nfs/dbraw/zinc/80/21/94/556802194.db2.gz IWIIOXSGSVRWSK-PKNBQFBNSA-N -1 1 434.286 3.853 50 0 IHAAMM Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3F)[n-]c2=O)c(C)c1 ZINC000064579509 556824855 /nfs/dbraw/zinc/82/48/55/556824855.db2.gz KZBLNLNNEBFGCB-UHFFFAOYSA-N -1 1 447.513 3.502 50 0 IHAAMM O=C(Cc1cc(=O)[n-]c(SCc2ccccc2F)n1)N1CCN(c2ccccc2)CC1 ZINC000023138338 557021383 /nfs/dbraw/zinc/02/13/83/557021383.db2.gz SPOPJVHYNFAZFE-UHFFFAOYSA-N -1 1 438.528 3.505 50 0 IHAAMM COc1ccc(CCNC(=O)Cc2cc(=O)[n-]c(SCc3ccccc3F)n2)cc1 ZINC000023138353 557021425 /nfs/dbraw/zinc/02/14/25/557021425.db2.gz OPPUVQXRYJCTLN-UHFFFAOYSA-N -1 1 427.501 3.524 50 0 IHAAMM Cc1nc(S[C@@H](C)c2ccccc2)[n-]c(=O)c1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000023138661 557022017 /nfs/dbraw/zinc/02/20/17/557022017.db2.gz GCCDAXLRMNHDKJ-IBGZPJMESA-N -1 1 448.592 3.823 50 0 IHAAMM O=C(Nc1ccccc1)[C@H]1CC(=O)Nc2nc(SCc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000046075157 557031504 /nfs/dbraw/zinc/03/15/04/557031504.db2.gz NKORBPBBMMKPOP-HNNXBMFYSA-N -1 1 440.912 3.780 50 0 IHAAMM Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccccc2C)CC(=O)N3)cc1 ZINC000046074909 557031508 /nfs/dbraw/zinc/03/15/08/557031508.db2.gz ZZDXYBFDQRDPSO-MRXNPFEDSA-N -1 1 434.521 3.744 50 0 IHAAMM Cc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccccc4F)[n-]c(=O)c32)c1 ZINC000046075253 557031514 /nfs/dbraw/zinc/03/15/14/557031514.db2.gz MKXADNBFKVZUTN-HNNXBMFYSA-N -1 1 438.484 3.574 50 0 IHAAMM Cc1ccc2nc3c(cc2c1)C[C@@]1(C(=O)[N-]C(=O)N(C2CCCCC2)C1=O)[C@H]1CCCCN31 ZINC000049749970 557118896 /nfs/dbraw/zinc/11/88/96/557118896.db2.gz HNRZMLRLNGETIV-RLWLMLJZSA-N -1 1 446.551 3.856 50 0 IHAAMM Cc1cccnc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000027652203 557268545 /nfs/dbraw/zinc/26/85/45/557268545.db2.gz WSCSSNSTSDDPOK-UHFFFAOYSA-N -1 1 439.493 3.604 50 0 IHAAMM O=C([N-]n1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)c1cc(Cl)ccc1Cl ZINC000011665756 557291422 /nfs/dbraw/zinc/29/14/22/557291422.db2.gz PGBGOFJHMKGTMV-UHFFFAOYSA-N -1 1 434.670 3.926 50 0 IHAAMM O=C(NCCc1cccs1)c1ccc2[n-]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1 ZINC000101828547 557300119 /nfs/dbraw/zinc/30/01/19/557300119.db2.gz OQCZPAFADYZMGE-UHFFFAOYSA-N -1 1 432.480 3.992 50 0 IHAAMM CCCCc1c(C)nc2[n-]c(N(Cc3ccc(OCC)cc3)C(=O)C(C)C)nn2c1=O ZINC000101878669 557304666 /nfs/dbraw/zinc/30/46/66/557304666.db2.gz ZUPURACNBZXHME-UHFFFAOYSA-N -1 1 425.533 3.657 50 0 IHAAMM O=C(Nc1ccccc1F)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000033023749 557321324 /nfs/dbraw/zinc/32/13/24/557321324.db2.gz MJFZZJAUXCRTCZ-UHFFFAOYSA-N -1 1 428.441 3.650 50 0 IHAAMM CCOC(=O)C(=C([O-])CSc1nnc(C2CC2)n1-c1ccccc1)c1nc(C)cs1 ZINC000102814703 557393460 /nfs/dbraw/zinc/39/34/60/557393460.db2.gz YMHBIBKCLVKNCL-QGZVFWFLSA-N -1 1 442.566 3.918 50 0 IHAAMM CCC(=O)N(Cc1cccc(Cl)c1)c1nn2c([n-]1)nc(C)c(Cc1ccccc1)c2=O ZINC000101878248 557457579 /nfs/dbraw/zinc/45/75/79/557457579.db2.gz PNNSZYMRXOUHJV-UHFFFAOYSA-N -1 1 435.915 3.913 50 0 IHAAMM COc1ccc(CN(C)C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1F ZINC000009715573 562975997 /nfs/dbraw/zinc/97/59/97/562975997.db2.gz CJFSEROXCLLDQY-UHFFFAOYSA-N -1 1 428.485 3.907 50 0 IHAAMM Cc1csc(NC(=O)CSc2nnc([N-]C(=O)c3nc4ccccc4s3)s2)n1 ZINC000043939675 568743729 /nfs/dbraw/zinc/74/37/29/568743729.db2.gz AVNZYCWWHLGTRH-UHFFFAOYSA-N -1 1 448.580 3.896 50 0 IHAAMM CN(c1ccccc1)S(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000012541655 568743849 /nfs/dbraw/zinc/74/38/49/568743849.db2.gz XQDFIUNEPOAECP-UHFFFAOYSA-N -1 1 438.477 3.591 50 0 IHAAMM CC(C)C[C@@H](O)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000084509813 568798372 /nfs/dbraw/zinc/79/83/72/568798372.db2.gz NZMIWRUXNSPTIV-OAHLLOKOSA-N -1 1 445.368 3.931 50 0 IHAAMM O=C(CSc1nc(-c2ccccc2Cl)nc2cc(=O)[n-]n21)Nc1ccccc1F ZINC000015732550 568815267 /nfs/dbraw/zinc/81/52/67/568815267.db2.gz MXILFJCDGDUMDC-UHFFFAOYSA-N -1 1 429.864 3.608 50 0 IHAAMM CCOc1ccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)Nc3ccc(CC)cc3)n2)cc1 ZINC000015732634 568815719 /nfs/dbraw/zinc/81/57/19/568815719.db2.gz GUFOENMKLIUMHZ-UHFFFAOYSA-N -1 1 449.536 3.777 50 0 IHAAMM COc1ccc([C@@H](O)c2cc(OC)c(OC)cc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000006101794 568826005 /nfs/dbraw/zinc/82/60/05/568826005.db2.gz MPQVPRSTYDTCGH-HSZRJFAPSA-N -1 1 443.521 3.903 50 0 IHAAMM O=C(Nc1ccc(C(=O)N2CCCSCC2)c([O-])c1)c1cccc(Br)c1 ZINC000063760782 568845492 /nfs/dbraw/zinc/84/54/92/568845492.db2.gz ZBZFWSJGCLQNDO-UHFFFAOYSA-N -1 1 435.343 3.986 50 0 IHAAMM O=c1cc(COc2cccc([N-]S(=O)(=O)c3ccccc3)c2)nc2ccc(Cl)cn12 ZINC000015865542 568850372 /nfs/dbraw/zinc/85/03/72/568850372.db2.gz BIXIAQWTLYRLEP-UHFFFAOYSA-N -1 1 441.896 3.728 50 0 IHAAMM CCCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3ccc(OC)c(OC)c3)ccc2s1 ZINC000015870391 568851768 /nfs/dbraw/zinc/85/17/68/568851768.db2.gz ZOYDJUQHOLRPHT-UHFFFAOYSA-N -1 1 435.527 3.853 50 0 IHAAMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)n1 ZINC000015879793 568854068 /nfs/dbraw/zinc/85/40/68/568854068.db2.gz BDKQRBBFNHWTLW-GFCCVEGCSA-N -1 1 449.598 3.816 50 0 IHAAMM O=S(=O)([N-]C[C@H](c1cccs1)S(=O)(=O)c1ccccc1)c1cc(F)ccc1F ZINC000016689701 568938095 /nfs/dbraw/zinc/93/80/95/568938095.db2.gz YGILSENXZPATQK-GOSISDBHSA-N -1 1 443.518 3.520 50 0 IHAAMM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1cnc2ccccc2n1 ZINC000036393331 569098466 /nfs/dbraw/zinc/09/84/66/569098466.db2.gz ZFCVUPOEVPLHNX-UHFFFAOYSA-N -1 1 440.431 3.961 50 0 IHAAMM Cc1sc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)[N-]c1c(C)cccc1C ZINC000065097606 569103940 /nfs/dbraw/zinc/10/39/40/569103940.db2.gz NERLAXCCGDRUEB-UHFFFAOYSA-N -1 1 446.554 3.760 50 0 IHAAMM CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2cccc(OC)c2)c1 ZINC000065116251 569107301 /nfs/dbraw/zinc/10/73/01/569107301.db2.gz NIDCEVGVZCNCIC-UHFFFAOYSA-N -1 1 429.498 3.980 50 0 IHAAMM O=C(NCc1ccc(Cl)cc1)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000089780768 569162883 /nfs/dbraw/zinc/16/28/83/569162883.db2.gz NECBRAOTDAAGME-UHFFFAOYSA-N -1 1 444.896 3.800 50 0 IHAAMM Cc1nn(-c2nc(C)c(C)c(=O)[n-]2)c(C)c1CCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000016980818 569169262 /nfs/dbraw/zinc/16/92/62/569169262.db2.gz OGBTUTVGDFMGBG-UHFFFAOYSA-N -1 1 449.433 3.659 50 0 IHAAMM COc1cc2nc(S[C@@H](C)C(=O)[O-])n3c(CC4CCCCC4)c(O)nc3c2cc1OC ZINC000008873477 569291662 /nfs/dbraw/zinc/29/16/62/569291662.db2.gz KYRYBTBAMFNFBZ-LRDDRELGSA-N -1 1 445.541 3.839 50 0 IHAAMM C[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000013096365 569309622 /nfs/dbraw/zinc/30/96/22/569309622.db2.gz VVMOMEBYGVQMAO-JXFKEZNVSA-N -1 1 444.553 3.957 50 0 IHAAMM COC(=O)C[C@@H](c1c(Cc2ccccc2)[n-][nH]c1=O)c1coc2ccc(OC)cc2c1=O ZINC000096115732 569383462 /nfs/dbraw/zinc/38/34/62/569383462.db2.gz GVZCIAVPWPHTRP-MRXNPFEDSA-N -1 1 434.448 3.516 50 0 biogenic IHAAMM COc1cc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)cc2c1OCO2 ZINC000096117801 569384301 /nfs/dbraw/zinc/38/43/01/569384301.db2.gz HXXFTKCCJGSVND-SCLBCKFNSA-N -1 1 431.514 3.930 50 0 IHAAMM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2ccc(F)c(F)c2F)CCO1 ZINC000096118399 569384383 /nfs/dbraw/zinc/38/43/83/569384383.db2.gz CFSIYHGGBLPFTN-FVMDXXJSSA-N -1 1 427.448 3.911 50 0 IHAAMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)Nc1ccc2c(c1)OCO2 ZINC000003459154 569451845 /nfs/dbraw/zinc/45/18/45/569451845.db2.gz WXWNTBAZKUPMLM-UHFFFAOYSA-N -1 1 428.441 3.536 50 0 IHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2C(F)(F)F)cc1OC ZINC000031722372 569457153 /nfs/dbraw/zinc/45/71/53/569457153.db2.gz FUQBQGWIKIIZHJ-UHFFFAOYSA-N -1 1 427.404 3.709 50 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CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)cc1 ZINC000009708654 132236904 /nfs/dbraw/zinc/23/69/04/132236904.db2.gz QNDJQYLJVPJGKG-UHFFFAOYSA-N -1 1 442.537 3.670 50 0 IHAAMM Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000008992245 132299702 /nfs/dbraw/zinc/29/97/02/132299702.db2.gz PINNOIBTGWSHCJ-UHFFFAOYSA-N -1 1 426.900 3.742 50 0 IHAAMM Cc1cc(N2CCN(C(=O)Cc3c(C)c4ccc([O-])cc4oc3=O)CC2)nc2ccccc12 ZINC000008991108 132299740 /nfs/dbraw/zinc/29/97/40/132299740.db2.gz QZWAKJKCNJMKFR-UHFFFAOYSA-N -1 1 443.503 3.555 50 0 IHAAMM COc1ccc(CC(=O)Nc2cc(C3CC3)nn2-c2nc(-c3ccccc3)cc(=O)[n-]2)cc1 ZINC000012128830 523906953 /nfs/dbraw/zinc/90/69/53/523906953.db2.gz MTWJHBCLGXKIEG-UHFFFAOYSA-N -1 1 441.491 3.690 50 0 IHAAMM COc1ccccc1C(=O)[N-]C(=O)CSc1nnc(-c2cccc(Br)c2)o1 ZINC000012800288 524345545 /nfs/dbraw/zinc/34/55/45/524345545.db2.gz FHUBLTTYKWSSSJ-UHFFFAOYSA-N -1 1 448.298 3.556 50 0 IHAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1 ZINC000000897864 555580623 /nfs/dbraw/zinc/58/06/23/555580623.db2.gz RSUKPQVIBJAOED-UHFFFAOYSA-N -1 1 428.535 3.547 50 0 IHAAMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2C)c1 ZINC000001059210 555615865 /nfs/dbraw/zinc/61/58/65/555615865.db2.gz PAEFEIYCYYYYJE-UHFFFAOYSA-N -1 1 438.505 3.763 50 0 IHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)cc1 ZINC000001151456 555656740 /nfs/dbraw/zinc/65/67/40/555656740.db2.gz NMTOQACGTACAJN-UHFFFAOYSA-N -1 1 446.550 3.914 50 0 IHAAMM CCOc1ccc(NC(=O)CN2c3ccccc3C(=C3SC(=S)[N-]C3=O)C2=O)cc1 ZINC000013799371 556309803 /nfs/dbraw/zinc/30/98/03/556309803.db2.gz BGEVTIXXTRHPQU-ZCXUNETKSA-N -1 1 439.518 3.770 50 0 IHAAMM CCc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)cc1 ZINC000013949188 556344125 /nfs/dbraw/zinc/34/41/25/556344125.db2.gz RUWBFJZXXNFKJE-CALCHBBNSA-N -1 1 436.599 3.716 50 0 IHAAMM O=C(NCCc1cccc(F)c1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000015183376 556508732 /nfs/dbraw/zinc/50/87/32/556508732.db2.gz GQOAMXPOWCJWBG-UHFFFAOYSA-N -1 1 434.439 3.877 50 0 IHAAMM O=C(NCCc1n[n-]c(=S)n1C1CC1)c1cc(Cl)ccc1I ZINC000097915205 556601186 /nfs/dbraw/zinc/60/11/86/556601186.db2.gz UNTWVWBVDPJZPY-UHFFFAOYSA-N -1 1 448.717 3.506 50 0 IHAAMM CC(=O)c1ccc([N-]S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C)cc1 ZINC000000754821 556693196 /nfs/dbraw/zinc/69/31/96/556693196.db2.gz CWGAJAQZZXQAFD-UHFFFAOYSA-N -1 1 429.519 3.831 50 0 IHAAMM O=C(Nc1nc2c(s1)C(=O)CCC2)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000058317078 556780605 /nfs/dbraw/zinc/78/06/05/556780605.db2.gz HQNHZYVQRWGFHN-UHFFFAOYSA-N -1 1 427.507 3.715 50 0 IHAAMM COC(=O)[C@@]([N-]c1nc2c(cccc2C)s1)(NC(=O)Cc1ccccc1)C(F)(F)F ZINC000002050311 556798511 /nfs/dbraw/zinc/79/85/11/556798511.db2.gz HLKMOTUBOBRWCM-IBGZPJMESA-N -1 1 437.443 3.807 50 0 IHAAMM CCN1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4cccc(Cl)c4)ccc3n2)CC1 ZINC000033260865 556897665 /nfs/dbraw/zinc/89/76/65/556897665.db2.gz FRAQZBJVAOATCS-UHFFFAOYSA-N -1 1 438.915 3.981 50 0 IHAAMM COc1ccc(CNC(=O)Cc2cc(=O)[n-]c(SCc3cccc(Cl)c3)n2)cc1 ZINC000023138283 557021412 /nfs/dbraw/zinc/02/14/12/557021412.db2.gz BJSNPJLKDRDTCR-UHFFFAOYSA-N -1 1 429.929 3.995 50 0 IHAAMM COc1ccc(NC(=O)Cc2c(C)nc(SCc3ccccc3F)[n-]c2=O)c(OC)c1 ZINC000023138610 557021752 /nfs/dbraw/zinc/02/17/52/557021752.db2.gz USSJZXXLQAFVNI-UHFFFAOYSA-N -1 1 443.500 3.708 50 0 IHAAMM O=C([O-])c1cc(NC(=O)c2cccs2)ccc1N1CCC(CCN2CCOCC2)CC1 ZINC000046053554 557026366 /nfs/dbraw/zinc/02/63/66/557026366.db2.gz LKBTWCKAWFVRMD-UHFFFAOYSA-N -1 1 443.569 3.637 50 0 IHAAMM CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCCc4ccccc4)[n-]c(=O)c32)cc1 ZINC000046074346 557030719 /nfs/dbraw/zinc/03/07/19/557030719.db2.gz WARRHGSPGJCXMH-SFHVURJKSA-N -1 1 448.548 3.732 50 0 IHAAMM Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)cc1C ZINC000046075596 557032389 /nfs/dbraw/zinc/03/23/89/557032389.db2.gz XFFBTQBLONSQDP-QGZVFWFLSA-N -1 1 434.521 3.744 50 0 IHAAMM CCCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3cccc(Cl)c3)ccc21 ZINC000017287044 557045339 /nfs/dbraw/zinc/04/53/39/557045339.db2.gz FRYNJWCNFDDIRV-UHFFFAOYSA-N -1 1 428.963 3.633 50 0 IHAAMM CCc1c(C)nc2ncnn2c1Sc1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000033276025 557055010 /nfs/dbraw/zinc/05/50/10/557055010.db2.gz KOCDEHHSMHPNMV-UHFFFAOYSA-N -1 1 425.539 3.947 50 0 IHAAMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccccc2SC(F)F)c1 ZINC000024980198 557185250 /nfs/dbraw/zinc/18/52/50/557185250.db2.gz GGDNZCMNKZCBTO-UHFFFAOYSA-N -1 1 430.498 3.990 50 0 IHAAMM CC(C)c1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(-c4cccc(Cl)c4)c3[O-])=NN2C)cc1 ZINC000101767482 557295816 /nfs/dbraw/zinc/29/58/16/557295816.db2.gz SHYSLHZGGTWPIT-LJQANCHMSA-N -1 1 438.915 3.789 50 0 IHAAMM CCCCc1c(C)nc2[n-]c(N(Cc3cccc(OC)c3)C(=O)CC(C)C)nn2c1=O ZINC000101878664 557304649 /nfs/dbraw/zinc/30/46/49/557304649.db2.gz XKVWLOPYOSPJTB-UHFFFAOYSA-N -1 1 425.533 3.657 50 0 IHAAMM Cc1nc2ccccc2c(=O)n1-c1ccc(F)c([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000010186581 562978511 /nfs/dbraw/zinc/97/85/11/562978511.db2.gz SPQBSIWIDBXRRR-UHFFFAOYSA-N -1 1 427.432 3.773 50 0 IHAAMM Cc1cc(=O)oc2cc(OC(=O)CSc3nc(Cc4ccccc4)cc(=O)[n-]3)ccc12 ZINC000001056171 568654077 /nfs/dbraw/zinc/65/40/77/568654077.db2.gz LHQDEPKMOZBCQL-UHFFFAOYSA-N -1 1 434.473 3.886 50 0 biogenic IHAAMM COc1ccc2nc(Sc3ccccc3)c(C=C3C(=O)[N-]C(=S)N3C(C)=O)cc2c1 ZINC000001158595 568664116 /nfs/dbraw/zinc/66/41/16/568664116.db2.gz HNNGDTJJAMTTKO-XDHOZWIPSA-N -1 1 435.530 3.999 50 0 IHAAMM O=C(Cc1cccs1)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000012541775 568744032 /nfs/dbraw/zinc/74/40/32/568744032.db2.gz PNKZUICRUDJGSJ-UHFFFAOYSA-N -1 1 444.534 3.891 50 0 IHAAMM COc1cc(OC)c(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[n-]2)cc1Cl ZINC000011905628 568819458 /nfs/dbraw/zinc/81/94/58/568819458.db2.gz WUVMXQNERDTBPJ-UHFFFAOYSA-N -1 1 431.901 3.838 50 0 IHAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCC4)nn3)cc2)cc1 ZINC000015882154 568856625 /nfs/dbraw/zinc/85/66/25/568856625.db2.gz FHKFEFXDIWELKX-UHFFFAOYSA-N -1 1 437.525 3.503 50 0 IHAAMM CCN(CC)c1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCC3)n(C)c2C)c(C)c1 ZINC000064922302 568985981 /nfs/dbraw/zinc/98/59/81/568985981.db2.gz VXDXSKOVIAXRGM-UHFFFAOYSA-N -1 1 446.617 3.915 50 0 IHAAMM CCc1nc(Cn2c3ccc(S(=O)(=O)[N-]c4ccc(C(C)C)cc4)cc3oc2=O)no1 ZINC000064947141 568995140 /nfs/dbraw/zinc/99/51/40/568995140.db2.gz HPGHHJFBXOCCFE-UHFFFAOYSA-N -1 1 442.497 3.512 50 0 IHAAMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C(C)C)cc1 ZINC000065021136 569088717 /nfs/dbraw/zinc/08/87/17/569088717.db2.gz YBKQAUATAWYRPM-UHFFFAOYSA-N -1 1 430.526 3.554 50 0 IHAAMM CC(=O)Nc1onc(C)c1-c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)c1 ZINC000065115831 569107000 /nfs/dbraw/zinc/10/70/00/569107000.db2.gz LEGOTVZUUOIVQD-UHFFFAOYSA-N -1 1 427.482 3.920 50 0 IHAAMM Cc1sc(-c2nnc(C(=O)N3CCCC3)o2)cc1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000065116576 569107451 /nfs/dbraw/zinc/10/74/51/569107451.db2.gz YTXOCKQCKFJNTQ-UHFFFAOYSA-N -1 1 446.554 3.760 50 0 IHAAMM CC(C)c1n[n-]c(=S)n1CCNC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000089936829 569168220 /nfs/dbraw/zinc/16/82/20/569168220.db2.gz QPXIEUFJBJLBID-KBPBESRZSA-N -1 1 436.557 3.638 50 0 IHAAMM COC(=O)[C@@]([N-]c1nc(C2CC2)cs1)(NC(=O)c1ccccc1Cl)C(F)(F)F ZINC000002191916 569190667 /nfs/dbraw/zinc/19/06/67/569190667.db2.gz QXVUNTWLMSNBLL-INIZCTEOSA-N -1 1 433.839 3.947 50 0 IHAAMM Cc1n[nH]c(-c2ccc(Cl)cc2)c1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000253402986 569289023 /nfs/dbraw/zinc/28/90/23/569289023.db2.gz GVIAIERXTZLYCE-FQEVSTJZSA-N -1 1 436.899 3.874 50 0 IHAAMM CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCCc3ccc(F)cc3)c2)cc1 ZINC000002647101 569414328 /nfs/dbraw/zinc/41/43/28/569414328.db2.gz BENJQOGFJGGKHB-UHFFFAOYSA-N -1 1 442.512 3.998 50 0 IHAAMM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C)c1ccc(Br)cc1 ZINC000058049083 569445984 /nfs/dbraw/zinc/44/59/84/569445984.db2.gz MHMMDBMUVREQPG-OAHLLOKOSA-N -1 1 432.723 3.604 50 0 IHAAMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)OCC(=O)NC2CCCCC2)c1 ZINC000003441862 569451294 /nfs/dbraw/zinc/45/12/94/569451294.db2.gz OQSWEEHKORFRQT-UHFFFAOYSA-N -1 1 448.516 3.541 50 0 IHAAMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OCC(=O)N(C(C)C)C(C)C)c2)c1 ZINC000003510013 569452979 /nfs/dbraw/zinc/45/29/79/569452979.db2.gz ASLWZJAFAHQWIY-UHFFFAOYSA-N -1 1 446.569 3.906 50 0 IHAAMM O=S(=O)([N-]c1ccc(Nc2cc(-n3cccn3)ncn2)cc1)c1ccccc1Cl ZINC000038670411 569466401 /nfs/dbraw/zinc/46/64/01/569466401.db2.gz XARQNQBBGUEWEF-UHFFFAOYSA-N -1 1 426.889 3.860 50 0 IHAAMM CCOC(=O)c1sc2[n-]c(COC(=O)c3cc(C)nc4ccccc43)nc(=O)c2c1C ZINC000008569160 569469120 /nfs/dbraw/zinc/46/91/20/569469120.db2.gz GNBQZKYJMZDJJP-UHFFFAOYSA-N -1 1 437.477 3.683 50 0 IHAAMM Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(S(=O)(=O)c2ccccc2)CC3)c1 ZINC000008840274 569478332 /nfs/dbraw/zinc/47/83/32/569478332.db2.gz NMPQPUJCWGIMMW-UHFFFAOYSA-N -1 1 442.562 3.543 50 0 IHAAMM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N(C)[C@H](C)c3ccncc3)cc2)cc1 ZINC000040150139 569493151 /nfs/dbraw/zinc/49/31/51/569493151.db2.gz XCJWVYWXMGDZPG-MRXNPFEDSA-N -1 1 425.510 3.724 50 0 IHAAMM CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c([O-])nc(O)n(-c2cc(C)cc(C)c2)c1=O ZINC000009041474 569497625 /nfs/dbraw/zinc/49/76/25/569497625.db2.gz JLGWGMFMZNVPJY-JOCHJYFZSA-N -1 1 430.508 3.709 50 0 biogenic IHAAMM O=C([O-])[C@H](Cc1ccccc1)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1F ZINC000040283326 569497814 /nfs/dbraw/zinc/49/78/14/569497814.db2.gz KKXGEQBJMLSPLA-ICSRJNTNSA-N -1 1 442.878 3.555 50 0 IHAAMM CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c([O-])nc(O)n(-c2ccc(C)cc2C)c1=O ZINC000009046250 569498260 /nfs/dbraw/zinc/49/82/60/569498260.db2.gz PPRKKUAVUTWWDK-QFIPXVFZSA-N -1 1 430.508 3.709 50 0 biogenic IHAAMM O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1[O-])c1cc(F)c(F)cc1Cl ZINC000009144408 569507307 /nfs/dbraw/zinc/50/73/07/569507307.db2.gz DEDPVQBQZRYJLZ-UHFFFAOYSA-N -1 1 430.860 3.751 50 0 IHAAMM CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3C)cc1 ZINC000009165810 569508759 /nfs/dbraw/zinc/50/87/59/569508759.db2.gz XGFCNFNOKTVMOX-UHFFFAOYSA-N -1 1 445.541 3.607 50 0 IHAAMM CN1c2cc([N-]S(=O)(=O)c3ccc(Br)cc3)ccc2OCC(C)(C)C1=O ZINC000009169903 569509246 /nfs/dbraw/zinc/50/92/46/569509246.db2.gz AEKFQWQCXKBAAJ-UHFFFAOYSA-N -1 1 439.331 3.631 50 0 IHAAMM Cc1cc2nc(CSc3ccccc3[N-]S(=O)(=O)c3ccc(C)cc3)cc(=O)n2o1 ZINC000009228293 569513585 /nfs/dbraw/zinc/51/35/85/569513585.db2.gz CSMGODQRGPRTJJ-UHFFFAOYSA-N -1 1 441.534 3.997 50 0 IHAAMM CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[n-]c(=O)c2[C@@H]1c1cccnc1 ZINC000009393848 569529091 /nfs/dbraw/zinc/52/90/91/569529091.db2.gz DWVCDCPROXNOBC-GOSISDBHSA-N -1 1 434.521 3.852 50 0 IHAAMM C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[C@@H]1C ZINC000009439529 569535083 /nfs/dbraw/zinc/53/50/83/569535083.db2.gz KCOWZJVWDSEXQU-CBGDNZLLSA-N -1 1 444.553 3.585 50 0 IHAAMM O=C(c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000009468059 569538545 /nfs/dbraw/zinc/53/85/45/569538545.db2.gz IXQGWDLNQKEAQI-SJLPKXTDSA-N -1 1 442.537 3.868 50 0 IHAAMM O=C([N-]N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1cc2c(s1)CCCC2 ZINC000009536771 569545591 /nfs/dbraw/zinc/54/55/91/569545591.db2.gz PDHKXIWJUHUISQ-UHFFFAOYSA-N -1 1 431.517 3.767 50 0 IHAAMM Cc1ccc(C)c(CSc2nc(N)c(NC(=O)c3ccc(Br)o3)c(=O)[n-]2)c1 ZINC000010243517 569579760 /nfs/dbraw/zinc/57/97/60/569579760.db2.gz XNIOOEZKMWKBSQ-UHFFFAOYSA-N -1 1 449.330 3.869 50 0 IHAAMM Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CCC3)c1 ZINC000009569471 132321986 /nfs/dbraw/zinc/32/19/86/132321986.db2.gz FCTUTESODBTJQW-UHFFFAOYSA-N -1 1 442.562 3.937 50 0 IHAAMM Cc1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)c1C ZINC000012605368 524660152 /nfs/dbraw/zinc/66/01/52/524660152.db2.gz LDTGRZYOXOIBPP-UHFFFAOYSA-N -1 1 436.493 3.526 50 0 IHAAMM Cc1cccc(OC(=O)CSc2nc(-c3ccc(Cl)cc3)nc3cc(=O)[n-]n32)c1 ZINC000021885408 524705815 /nfs/dbraw/zinc/70/58/15/524705815.db2.gz KPUIWOGUGFLPPL-UHFFFAOYSA-N -1 1 426.885 3.744 50 0 IHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(N4CCCC4)sc3c2)cc1NC(C)=O ZINC000012561094 525087630 /nfs/dbraw/zinc/08/76/30/525087630.db2.gz CMQHYCWEMBBHOD-UHFFFAOYSA-N -1 1 446.554 3.664 50 0 IHAAMM Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cc(C2CC2)nn1-c1nc(C(C)C)cc(=O)[n-]1 ZINC000012126462 525432999 /nfs/dbraw/zinc/43/29/99/525432999.db2.gz JZTSWIRVNVGKKI-UHFFFAOYSA-N -1 1 444.495 3.568 50 0 IHAAMM Cc1cc(=O)[n-]c(-n2nc(C3CC3)cc2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1 ZINC000012123410 526120670 /nfs/dbraw/zinc/12/06/70/526120670.db2.gz QHRCSFNAIWCRKM-UHFFFAOYSA-N -1 1 427.892 3.591 50 0 IHAAMM O=C(NCC[C@H]1CCCO1)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000012605183 526389195 /nfs/dbraw/zinc/38/91/95/526389195.db2.gz CTMZSZKJQSLXLL-QGZVFWFLSA-N -1 1 442.459 3.805 50 0 IHAAMM O=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000012525903 526721470 /nfs/dbraw/zinc/72/14/70/526721470.db2.gz GFMNYGJQBVTXPB-UHFFFAOYSA-N -1 1 449.532 3.766 50 0 IHAAMM O=S(=O)([N-]c1ccc2c(c1)ncn2CCc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000009409824 556288187 /nfs/dbraw/zinc/28/81/87/556288187.db2.gz VYSRURYMLNMVHA-UHFFFAOYSA-N -1 1 435.505 3.851 50 0 IHAAMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)N1CCCC1 ZINC000013858177 556322152 /nfs/dbraw/zinc/32/21/52/556322152.db2.gz QHUBTVXTWJBCQN-UHFFFAOYSA-N -1 1 429.325 3.795 50 0 IHAAMM COc1ccc([O-])c(C(=O)c2cc(-c3nc4ccccc4c(=O)[nH]3)n(C[C@@H]3CCCO3)c2)c1 ZINC000014083595 556363336 /nfs/dbraw/zinc/36/33/36/556363336.db2.gz XXTVHDWTXMBHBM-KRWDZBQOSA-N -1 1 445.475 3.516 50 0 IHAAMM O=S(=O)([N-]c1cccc(Cl)c1)c1cccc(NC(=S)NC[C@@H]2CCCO2)c1 ZINC000013069777 556452899 /nfs/dbraw/zinc/45/28/99/556452899.db2.gz WRQCNQBBCNXJBK-INIZCTEOSA-N -1 1 425.963 3.606 50 0 IHAAMM CCOc1cc2c(cc1NC(=O)Cn1c(=S)[n-]nc1-c1ccc(OC)cc1)O[C@@H](C)C2 ZINC000029129556 556468030 /nfs/dbraw/zinc/46/80/30/556468030.db2.gz HPUZGIPKNMHLJT-ZDUSSCGKSA-N -1 1 440.525 3.977 50 0 IHAAMM O=C1N[C@H](c2ccccc2C(F)(F)F)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000013303344 556501961 /nfs/dbraw/zinc/50/19/61/556501961.db2.gz MWETWNSKBPIWLJ-CPUCHLNUSA-N -1 1 432.320 3.809 50 0 IHAAMM COc1ccc(CCn2c(=S)[n-]c(=O)c3c2NCN(Cc2ccccc2)C3)cc1OC ZINC000013576897 556526417 /nfs/dbraw/zinc/52/64/17/556526417.db2.gz MPGYLBUVNALILU-UHFFFAOYSA-N -1 1 438.553 3.551 50 0 IHAAMM O=C(NCc1ccncc1)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000015434316 556527598 /nfs/dbraw/zinc/52/75/98/556527598.db2.gz RIGJZBHWZMOIIS-UHFFFAOYSA-N -1 1 446.326 3.575 50 0 IHAAMM CCCc1cc(=O)[n-]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccc3c(c2)OCO3)n1 ZINC000011854730 556661736 /nfs/dbraw/zinc/66/17/36/556661736.db2.gz OBTMCNARGMGOKL-UHFFFAOYSA-N -1 1 449.492 3.618 50 0 IHAAMM O=c1cc(CSc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)nc2ccccn12 ZINC000033026317 556703291 /nfs/dbraw/zinc/70/32/91/556703291.db2.gz PXVAWSSHWSBRHI-UHFFFAOYSA-N -1 1 441.509 3.927 50 0 IHAAMM CCc1ccc2c(CC(=O)Nc3cc(S(=O)(=O)N(CC)CC)ccc3[O-])coc2c1 ZINC000023054946 556988722 /nfs/dbraw/zinc/98/87/22/556988722.db2.gz OFLXTSKBYXJUMR-UHFFFAOYSA-N -1 1 430.526 3.913 50 0 IHAAMM COC(=O)c1ccc(NC(=O)Cc2c(C)nc(S[C@H](C)c3ccccc3)[n-]c2=O)cc1 ZINC000023138704 557022135 /nfs/dbraw/zinc/02/21/35/557022135.db2.gz VPOQGFAYMIFXEQ-OAHLLOKOSA-N -1 1 437.521 3.899 50 0 IHAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)C[C@H](C)S3)cc1OC ZINC000032943983 557022406 /nfs/dbraw/zinc/02/24/06/557022406.db2.gz KUENLUFQZRXMPY-ZDUSSCGKSA-N -1 1 448.566 3.742 50 0 IHAAMM Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000046027412 557023263 /nfs/dbraw/zinc/02/32/63/557023263.db2.gz YKBJRWDAVZWICE-UHFFFAOYSA-N -1 1 427.501 3.574 50 0 IHAAMM CCOC(=O)C1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2ccc(Cl)cc2)CC1 ZINC000023156931 557029575 /nfs/dbraw/zinc/02/95/75/557029575.db2.gz OBBQVTBCLLFEJW-INIZCTEOSA-N -1 1 434.949 3.823 50 0 IHAAMM CCOC(=O)C1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2ccc(Cl)cc2)CC1 ZINC000023156933 557029581 /nfs/dbraw/zinc/02/95/81/557029581.db2.gz OBBQVTBCLLFEJW-MRXNPFEDSA-N -1 1 434.949 3.823 50 0 IHAAMM Cc1cccc(CSc2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccccc2C)CC(=O)N3)c1 ZINC000046074781 557031012 /nfs/dbraw/zinc/03/10/12/557031012.db2.gz HIHMFGORTLOSEG-MRXNPFEDSA-N -1 1 434.521 3.744 50 0 IHAAMM Cc1ccccc1CSc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccccc1C)CC(=O)N2 ZINC000046074667 557031092 /nfs/dbraw/zinc/03/10/92/557031092.db2.gz HNPHMCLMXUZZSL-INIZCTEOSA-N -1 1 434.521 3.744 50 0 IHAAMM CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(SCc3ccc(C)cc3)[n-]c(=O)c21 ZINC000046074953 557031489 /nfs/dbraw/zinc/03/14/89/557031489.db2.gz PZVCLHHTFYXUNR-KRWDZBQOSA-N -1 1 448.548 3.998 50 0 IHAAMM Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(SCCc4ccccc4)[n-]c(=O)c32)cc1C ZINC000046075589 557032089 /nfs/dbraw/zinc/03/20/89/557032089.db2.gz VBVUHNURCIKRNA-GOSISDBHSA-N -1 1 448.548 3.786 50 0 IHAAMM Cc1c(NC(=O)CCn2c(-c3cccc(C)c3)n[n-]c2=S)c(=O)n(-c2ccccc2)n1C ZINC000017303378 557051463 /nfs/dbraw/zinc/05/14/63/557051463.db2.gz WSNWUDYCCXEBHF-UHFFFAOYSA-N -1 1 448.552 3.743 50 0 IHAAMM CCc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)nc(-c1ccc(C(=O)NC)cc1)n2C ZINC000033277011 557057896 /nfs/dbraw/zinc/05/78/96/557057896.db2.gz YWOGBKLJBNEUSY-UHFFFAOYSA-N -1 1 448.548 3.963 50 0 IHAAMM CCCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc2s1 ZINC000033299031 557075369 /nfs/dbraw/zinc/07/53/69/557075369.db2.gz AMUIGGXRLSCMFC-UHFFFAOYSA-N -1 1 428.532 3.728 50 0 IHAAMM CCCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3cc(F)ccc3C)cc2s1 ZINC000033299053 557075379 /nfs/dbraw/zinc/07/53/79/557075379.db2.gz QUAJHHGNWBQKAG-UHFFFAOYSA-N -1 1 428.532 3.728 50 0 IHAAMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1c(-c2cccs2)nc2cc(C)ccn21 ZINC000023409411 557090976 /nfs/dbraw/zinc/09/09/76/557090976.db2.gz PCLKJRKWQOKGBN-UHFFFAOYSA-N -1 1 443.506 3.879 50 0 IHAAMM Cc1ccnc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc4c(c3)OCCCO4)c2)c1 ZINC000024581086 557152257 /nfs/dbraw/zinc/15/22/57/557152257.db2.gz MWMZXIHZXHHJKS-UHFFFAOYSA-N -1 1 439.493 3.604 50 0 IHAAMM CCOC(=O)C(=C([O-])CSc1nnc2sc3ccccc3n12)c1nc(C)cs1 ZINC000103034759 557416022 /nfs/dbraw/zinc/41/60/22/557416022.db2.gz PHLMOYVURVJQHY-CQSZACIVSA-N -1 1 432.552 3.717 50 0 IHAAMM CCCCN1C(=O)[N-]C(=O)[C@@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@H]32)C1=O ZINC000229970722 557834431 /nfs/dbraw/zinc/83/44/31/557834431.db2.gz LNISKEMQKNHOST-OFVILXPXSA-N -1 1 432.524 3.643 50 0 IHAAMM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2NCc2ccccc2)n(C)c(=O)n3C)cc1 ZINC000008594574 562953074 /nfs/dbraw/zinc/95/30/74/562953074.db2.gz DDICLHAZTPWZJH-UHFFFAOYSA-N -1 1 436.537 3.598 50 0 IHAAMM O=C(NC1CCCCC1)c1c[n-]c2ccc(S(=O)(=O)Nc3ccccc3F)cc2c1=O ZINC000008595135 562953251 /nfs/dbraw/zinc/95/32/51/562953251.db2.gz MFTRAPVXHBLJLA-UHFFFAOYSA-N -1 1 443.500 3.531 50 0 IHAAMM CCOCCCNC(=O)c1ccc(N2CCCC2)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000008811797 562964277 /nfs/dbraw/zinc/96/42/77/562964277.db2.gz GWQHQIQXFGIKDI-UHFFFAOYSA-N -1 1 445.585 3.552 50 0 IHAAMM COc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccc(Cl)cc4)[n-]c(=O)c32)cc1O ZINC000086057593 568642833 /nfs/dbraw/zinc/64/28/33/568642833.db2.gz LSLOEOZUVGTYGG-CQSZACIVSA-N -1 1 443.912 3.904 50 0 IHAAMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc4oc5c(c4c3)C(=O)CC(C)(C)C5)cc2oc1=O ZINC000001320753 568779894 /nfs/dbraw/zinc/77/98/94/568779894.db2.gz IGLLAZJVCDVDPX-UHFFFAOYSA-N -1 1 440.477 3.834 50 0 IHAAMM COc1cccc(-c2nnc(SCCC[N-]C(=O)C(F)(F)F)n2Cc2ccco2)c1 ZINC000083975784 568787573 /nfs/dbraw/zinc/78/75/73/568787573.db2.gz BVAGSYUKDIJNLA-UHFFFAOYSA-N -1 1 440.447 3.756 50 0 IHAAMM NC(=O)C1CCN(c2ccccc2[N-]S(=O)(=O)c2ccccc2-c2ccccc2)CC1 ZINC000084562884 568798766 /nfs/dbraw/zinc/79/87/66/568798766.db2.gz VIGMRMNJGXTNQR-UHFFFAOYSA-N -1 1 435.549 3.856 50 0 IHAAMM C[C@@H]1CSc2ccc(S(=O)(=O)[N-]c3cccc(Br)c3)cc2NC1=O ZINC000015730845 568814115 /nfs/dbraw/zinc/81/41/15/568814115.db2.gz PJNRYSIQGRCPOA-SNVBAGLBSA-N -1 1 427.345 3.930 50 0 IHAAMM O=C(NCc1ccccn1)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1 ZINC000006191371 568876443 /nfs/dbraw/zinc/87/64/43/568876443.db2.gz RXZUSOAOPXXTJW-UHFFFAOYSA-N -1 1 435.427 3.831 50 0 IHAAMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCCS3)c1 ZINC000064951984 568997083 /nfs/dbraw/zinc/99/70/83/568997083.db2.gz XITPBHCFVQMCRN-UHFFFAOYSA-N -1 1 434.539 3.513 50 0 IHAAMM CCc1ccc([N-]S(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCC4)o3)sc2C)cc1 ZINC000065116535 569107272 /nfs/dbraw/zinc/10/72/72/569107272.db2.gz ITUHLSXYKIKWOQ-UHFFFAOYSA-N -1 1 446.554 3.706 50 0 IHAAMM CCOC(=O)C1=C(NC(=O)COc2ccccc2OCC)[N-]c2ccccc2N=C1CC ZINC000013037855 569307588 /nfs/dbraw/zinc/30/75/88/569307588.db2.gz WACPDNDILKFWGC-UHFFFAOYSA-N -1 1 437.496 3.963 50 0 IHAAMM C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000013096364 569309603 /nfs/dbraw/zinc/30/96/03/569309603.db2.gz VVMOMEBYGVQMAO-UZLBHIALSA-N -1 1 444.553 3.957 50 0 IHAAMM COc1ccccc1CNC(=O)COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1 ZINC000009053712 569498863 /nfs/dbraw/zinc/49/88/63/569498863.db2.gz MEAAQPZMXQIMIO-UHFFFAOYSA-N -1 1 431.444 3.869 50 0 biogenic IHAAMM COc1ccccc1CNC(=O)COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000009053712 569498864 /nfs/dbraw/zinc/49/88/64/569498864.db2.gz MEAAQPZMXQIMIO-UHFFFAOYSA-N -1 1 431.444 3.869 50 0 biogenic IHAAMM CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c([O-])[nH]c(=O)n(-c2c(C)cc(C)cc2C)c1=O ZINC000009129169 569505630 /nfs/dbraw/zinc/50/56/30/569505630.db2.gz HNJUAMIPPLKZFI-QHCPKHFHSA-N -1 1 444.535 3.605 50 0 IHAAMM CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c(=O)[nH]c(=O)n(-c2c(C)cc(C)cc2C)c1[O-] ZINC000009129169 569505631 /nfs/dbraw/zinc/50/56/31/569505631.db2.gz HNJUAMIPPLKZFI-QHCPKHFHSA-N -1 1 444.535 3.605 50 0 IHAAMM C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[C@@H]1C ZINC000009439522 569535053 /nfs/dbraw/zinc/53/50/53/569535053.db2.gz KCOWZJVWDSEXQU-LZJOCLMNSA-N -1 1 444.553 3.585 50 0 IHAAMM O=C(NCCCc1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000009715553 569563070 /nfs/dbraw/zinc/56/30/70/569563070.db2.gz PBJCNGSGMHSRJX-UHFFFAOYSA-N -1 1 438.505 3.579 50 0 IHAAMM CCCCN(CC)C(=O)c1c[n-]c2ccc(S(=O)(=O)Nc3ccccc3F)cc2c1=O ZINC000009833875 569570419 /nfs/dbraw/zinc/57/04/19/569570419.db2.gz QVGCWOQHXOABGF-UHFFFAOYSA-N -1 1 445.516 3.730 50 0 IHAAMM O=C(C1CC1)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc21 ZINC000009708656 132236932 /nfs/dbraw/zinc/23/69/32/132236932.db2.gz VXYICLAUHXRNRV-UHFFFAOYSA-N -1 1 435.343 3.939 50 0 IHAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCN(c4ccccc4)CC3)c2)cc1 ZINC000013679995 132353214 /nfs/dbraw/zinc/35/32/14/132353214.db2.gz MBHJGLIEVKMUPJ-UHFFFAOYSA-N -1 1 435.549 3.758 50 0 IHAAMM CCOC(=O)C1CCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2cccc(F)c2)CC1 ZINC000022853488 520581915 /nfs/dbraw/zinc/58/19/15/520581915.db2.gz AOEIHJUPVRUWDN-QGZVFWFLSA-N -1 1 432.521 3.562 50 0 IHAAMM CCOc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)ccc1O ZINC000020464011 520777789 /nfs/dbraw/zinc/77/77/89/520777789.db2.gz SXCCKNLMKFTHRG-INIZCTEOSA-N -1 1 437.521 3.949 50 0 IHAAMM CCOc1cc([C@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[n-]c(=O)c32)ccc1O ZINC000021784164 520784983 /nfs/dbraw/zinc/78/49/83/520784983.db2.gz OLQADQLPLLLBEJ-OAHLLOKOSA-N -1 1 441.484 3.780 50 0 IHAAMM CCCc1cc(=O)[n-]c(S[C@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000012566766 521346491 /nfs/dbraw/zinc/34/64/91/521346491.db2.gz HDWBVWSIUCNEEP-IRXDYDNUSA-N -1 1 442.006 3.758 50 0 IHAAMM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1OC ZINC000012557297 521935588 /nfs/dbraw/zinc/93/55/88/521935588.db2.gz YHRMGCSGMWYPBM-VOTSOKGWSA-N -1 1 431.388 3.621 50 0 IHAAMM Cc1ccc(NC(=O)[C@H]2CCCO2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000015895810 525222688 /nfs/dbraw/zinc/22/26/88/525222688.db2.gz ZICWYZHINYZNTN-MRXNPFEDSA-N -1 1 439.331 3.676 50 0 IHAAMM Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000020622512 525966047 /nfs/dbraw/zinc/96/60/47/525966047.db2.gz ZYYXSULRFFJDID-VMPITWQZSA-N -1 1 432.520 3.597 50 0 IHAAMM O=C1N[C@H](c2ccccc2C(F)(F)F)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000035569282 526796770 /nfs/dbraw/zinc/79/67/70/526796770.db2.gz MWETWNSKBPIWLJ-JJRVBVJISA-N -1 1 432.320 3.809 50 0 IHAAMM O=C(CSc1nc(-c2ccccc2)nc2cc(=O)[n-]n21)Nc1cccc(C(F)(F)F)c1 ZINC000020986950 527050991 /nfs/dbraw/zinc/05/09/91/527050991.db2.gz QPCFMYULLIGXRC-UHFFFAOYSA-N -1 1 445.426 3.834 50 0 IHAAMM O=C(CSc1nc(-c2ccccc2Cl)nc2cc(=O)[n-]n21)Nc1ccc(F)cc1 ZINC000021537193 527051013 /nfs/dbraw/zinc/05/10/13/527051013.db2.gz YMFPURDTGUDXMJ-UHFFFAOYSA-N -1 1 429.864 3.608 50 0 IHAAMM O=C(CSc1nc2c(c(=O)[n-]1)CN(Cc1ccc(F)cc1)CC2)Nc1ccc(F)cc1 ZINC000020467792 527055593 /nfs/dbraw/zinc/05/55/93/527055593.db2.gz PSXXXXJVQGEXEJ-UHFFFAOYSA-N -1 1 442.491 3.750 50 0 IHAAMM O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1[O-])c1n[nH]c2ccccc21 ZINC000012535310 527130043 /nfs/dbraw/zinc/13/00/43/527130043.db2.gz DKFXDFUIHFABPF-UHFFFAOYSA-N -1 1 442.884 3.975 50 0 IHAAMM O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)NCCCn1cnc2ccccc21 ZINC000012491242 527356436 /nfs/dbraw/zinc/35/64/36/527356436.db2.gz KUESJQPWPBJYEK-UHFFFAOYSA-N -1 1 426.933 3.817 50 0 IHAAMM Cn1cnnc1Sc1ccccc1[N-]S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000012650691 527531585 /nfs/dbraw/zinc/53/15/85/527531585.db2.gz LMPCFMXODWFDMK-UHFFFAOYSA-N -1 1 430.433 3.666 50 0 IHAAMM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 ZINC000002627001 535400158 /nfs/dbraw/zinc/40/01/58/535400158.db2.gz OSFGBTXXZCERGK-UHFFFAOYSA-N -1 1 430.448 3.742 50 0 IHAAMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 ZINC000000628269 555513461 /nfs/dbraw/zinc/51/34/61/555513461.db2.gz KDLNWEXBRJSVPI-UHFFFAOYSA-N -1 1 432.523 3.687 50 0 IHAAMM Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3Cl)[n-]c2=O)cc1 ZINC000002699247 555799926 /nfs/dbraw/zinc/79/99/26/555799926.db2.gz RLGBVEHSKYRDRR-UHFFFAOYSA-N -1 1 449.941 3.708 50 0 IHAAMM O=C(COc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)Nc1ccc2c(c1)OCO2 ZINC000013655692 556545965 /nfs/dbraw/zinc/54/59/65/556545965.db2.gz HGBKJDPVASXOLU-UHFFFAOYSA-N -1 1 431.400 3.912 50 0 biogenic IHAAMM O=C(COc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1)Nc1ccc2c(c1)OCO2 ZINC000013655692 556545968 /nfs/dbraw/zinc/54/59/68/556545968.db2.gz HGBKJDPVASXOLU-UHFFFAOYSA-N -1 1 431.400 3.912 50 0 biogenic IHAAMM Cc1cc(=O)[n-]c(-n2nc(-c3ccco3)cc2NC(=O)c2ccccc2C(F)(F)F)n1 ZINC000012006313 556680413 /nfs/dbraw/zinc/68/04/13/556680413.db2.gz BCJNPWKDUMVZJH-UHFFFAOYSA-N -1 1 429.358 3.795 50 0 IHAAMM O=C(c1cccs1)N1CCc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc21 ZINC000013696218 556712182 /nfs/dbraw/zinc/71/21/82/556712182.db2.gz KFGATWWQUPXZGZ-UHFFFAOYSA-N -1 1 442.518 3.523 50 0 IHAAMM COc1ccc(OC)c([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000143606660 556739992 /nfs/dbraw/zinc/73/99/92/556739992.db2.gz BXPASGIBSLOURW-YTFSRNRJSA-N -1 1 430.460 3.755 50 0 IHAAMM COc1cc(OC)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(C(=O)[O-])c1 ZINC000058245928 556775222 /nfs/dbraw/zinc/77/52/22/556775222.db2.gz WKHWGKTWVBVIKB-UHFFFAOYSA-N -1 1 439.795 3.875 50 0 IHAAMM CCN(CC[NH+](C)C)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000033253984 556894235 /nfs/dbraw/zinc/89/42/35/556894235.db2.gz PEPCENYNMMODAQ-UHFFFAOYSA-N -1 1 433.574 3.697 50 0 IHAAMM CCN(CC[NH+](C)C)c1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000033253987 556894298 /nfs/dbraw/zinc/89/42/98/556894298.db2.gz KCCVPRPOCCFWAQ-UHFFFAOYSA-N -1 1 447.601 3.772 50 0 IHAAMM COC(=O)c1ccc(NC(=O)Cc2cc(=O)[n-]c(SCc3cccc(Cl)c3)n2)cc1 ZINC000023138238 557021272 /nfs/dbraw/zinc/02/12/72/557021272.db2.gz LPIBUOOKYVFUOZ-UHFFFAOYSA-N -1 1 443.912 3.683 50 0 IHAAMM COc1ccccc1CNC(=O)Cc1cc(=O)[n-]c(SCc2cccc(Cl)c2)n1 ZINC000023138286 557021363 /nfs/dbraw/zinc/02/13/63/557021363.db2.gz XCRCJSVGAQGRPL-UHFFFAOYSA-N -1 1 429.929 3.995 50 0 IHAAMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)C[C@@H](C)S3)cc1 ZINC000032943981 557022424 /nfs/dbraw/zinc/02/24/24/557022424.db2.gz PKIZXCZTRREEAW-CYBMUJFWSA-N -1 1 430.551 3.927 50 0 IHAAMM Cc1ccccc1CSc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccccc1C)CC(=O)N2 ZINC000046074670 557031051 /nfs/dbraw/zinc/03/10/51/557031051.db2.gz HNPHMCLMXUZZSL-MRXNPFEDSA-N -1 1 434.521 3.744 50 0 IHAAMM Cc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[n-]c(=O)c32)c1 ZINC000046075358 557031959 /nfs/dbraw/zinc/03/19/59/557031959.db2.gz YPDJFIQYPLXXIZ-INIZCTEOSA-N -1 1 438.484 3.574 50 0 IHAAMM Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[n-]c(=O)c32)cc1 ZINC000046075364 557032046 /nfs/dbraw/zinc/03/20/46/557032046.db2.gz ZQCOULGJJJXTOP-INIZCTEOSA-N -1 1 438.484 3.574 50 0 IHAAMM Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)c(C)c1 ZINC000046075498 557032148 /nfs/dbraw/zinc/03/21/48/557032148.db2.gz RIVRKNVGYUILRK-INIZCTEOSA-N -1 1 434.521 3.744 50 0 IHAAMM Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)cc1C ZINC000046075599 557032348 /nfs/dbraw/zinc/03/23/48/557032348.db2.gz XFFBTQBLONSQDP-KRWDZBQOSA-N -1 1 434.521 3.744 50 0 IHAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCO[C@@H]4CCCC[C@H]43)c2)c1 ZINC000048273864 557051190 /nfs/dbraw/zinc/05/11/90/557051190.db2.gz WFASWMWVVWLQDL-NHCUHLMSSA-N -1 1 428.554 3.888 50 0 IHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCC(C)C)CCC3)cc2)cc1OC ZINC000033277542 557059493 /nfs/dbraw/zinc/05/94/93/557059493.db2.gz YARAMELFBCPDLO-UHFFFAOYSA-N -1 1 446.569 3.699 50 0 IHAAMM O=C([O-])c1cccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c21 ZINC000585141348 557085003 /nfs/dbraw/zinc/08/50/03/557085003.db2.gz TVJPOHSEGKNADC-JVPBZIDWSA-N -1 1 425.510 3.956 50 0 IHAAMM Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)cn2CC(=O)N2CCCC2)n1 ZINC000033307577 557087628 /nfs/dbraw/zinc/08/76/28/557087628.db2.gz QPEKTXHCMCSYSW-UHFFFAOYSA-N -1 1 444.582 3.652 50 0 IHAAMM O=C1[N-]C(=O)[C@]2(Cc3cc4ccccc4nc3N3CCCC[C@H]32)C(=O)N1C1CCCCC1 ZINC000209335732 557118336 /nfs/dbraw/zinc/11/83/36/557118336.db2.gz LVGZWTUKNPJEAR-NBGIEHNGSA-N -1 1 432.524 3.547 50 0 IHAAMM COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000017969870 557134478 /nfs/dbraw/zinc/13/44/78/557134478.db2.gz UELMKLYKBHWQJF-ZRBLBEILSA-N -1 1 430.460 3.760 50 0 IHAAMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1)c1cccs1 ZINC000024103345 557137516 /nfs/dbraw/zinc/13/75/16/557137516.db2.gz PEEVVFNPAMGPKO-UHFFFAOYSA-N -1 1 441.534 3.928 50 0 IHAAMM CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2C=C2SC(=S)[N-]C2=O)cc1 ZINC000026464956 557242165 /nfs/dbraw/zinc/24/21/65/557242165.db2.gz DRBKYYJNYGVCJZ-YBEGLDIGSA-N -1 1 434.520 3.742 50 0 IHAAMM O=C(NC1CCCC1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000027065107 557256134 /nfs/dbraw/zinc/25/61/34/557256134.db2.gz ZNZYRCHYZUVTMG-SFHVURJKSA-N -1 1 441.380 3.942 50 0 IHAAMM CCCCn1c([O-])c(C2=NN(C(=O)CC)[C@@H](c3ccccc3OC)C2)c(=O)[nH]c1=S ZINC000101495640 557289030 /nfs/dbraw/zinc/28/90/30/557289030.db2.gz ZLURRQWQQKGBKE-OAHLLOKOSA-N -1 1 430.530 3.508 50 0 IHAAMM COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000024249932 557322480 /nfs/dbraw/zinc/32/24/80/557322480.db2.gz QNOFJGUQXXDOSD-UHFFFAOYSA-N -1 1 434.695 3.919 50 0 IHAAMM CCOc1ccc(CN(C(=O)c2cccc(C)c2)c2nn3c([n-]2)nc(C)c(C)c3=O)cc1 ZINC000101878106 557457622 /nfs/dbraw/zinc/45/76/22/557457622.db2.gz SFGLYKNHNZCQDO-UHFFFAOYSA-N -1 1 431.496 3.589 50 0 IHAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CCC2)cc1OC ZINC000008583969 562949925 /nfs/dbraw/zinc/94/99/25/562949925.db2.gz SMJZVOMYIQGRIK-AWEZNQCLSA-N -1 1 430.526 3.582 50 0 IHAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCC4)nn3)cc2)cc1F ZINC000008610158 562958107 /nfs/dbraw/zinc/95/81/07/562958107.db2.gz FIOWERHXQQVUAU-UHFFFAOYSA-N -1 1 428.489 3.692 50 0 IHAAMM O=C(Nc1cccnc1)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000015436025 568762131 /nfs/dbraw/zinc/76/21/31/568762131.db2.gz VSKMIRGIOZRKMA-UHFFFAOYSA-N -1 1 432.299 3.897 50 0 IHAAMM CCOc1ccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)Nc3ccccc3C)n2)cc1 ZINC000015732589 568815403 /nfs/dbraw/zinc/81/54/03/568815403.db2.gz NJZOZALWOQRYEM-UHFFFAOYSA-N -1 1 435.509 3.523 50 0 IHAAMM CCNC(=O)c1ccc(NC(=O)c2c[n-]c3c(Cl)cc(Br)cc3c2=O)cc1 ZINC000390832617 568909419 /nfs/dbraw/zinc/90/94/19/568909419.db2.gz CXCOTAFVEZPYGL-UHFFFAOYSA-N -1 1 448.704 3.946 50 0 IHAAMM CC(C)NC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000065059702 569096161 /nfs/dbraw/zinc/09/61/61/569096161.db2.gz UMVPEIXDPJCSBA-UHFFFAOYSA-N -1 1 429.473 3.952 50 0 IHAAMM O=C([O-])c1cccc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)c1 ZINC000170601021 569142748 /nfs/dbraw/zinc/14/27/48/569142748.db2.gz DLENAGDCUFNLNX-MRXNPFEDSA-N -1 1 425.890 3.787 50 0 IHAAMM Cc1ccc(S(=O)(=O)N2CCCCC2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000089646978 569160479 /nfs/dbraw/zinc/16/04/79/569160479.db2.gz GZSZQXANMYFHPK-UHFFFAOYSA-N -1 1 428.963 3.624 50 0 IHAAMM O=S(=O)([N-]c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)c1cccc(F)c1 ZINC000017191262 569175750 /nfs/dbraw/zinc/17/57/50/569175750.db2.gz VUCUNLRIZCUHPF-UHFFFAOYSA-N -1 1 446.525 3.768 50 0 IHAAMM CN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000170636967 569178305 /nfs/dbraw/zinc/17/83/05/569178305.db2.gz TVVXSNKXYHGULA-AQNXPRMDSA-N -1 1 432.517 3.512 50 0 IHAAMM COc1cc2nc(S[C@@H](C)C(=O)[O-])n3c(CC4CCCCC4)c(O)nc3c2cc1OC ZINC000008873478 569291630 /nfs/dbraw/zinc/29/16/30/569291630.db2.gz KYRYBTBAMFNFBZ-BLLLJJGKSA-N -1 1 445.541 3.839 50 0 IHAAMM C[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000013096366 569309579 /nfs/dbraw/zinc/30/95/79/569309579.db2.gz VVMOMEBYGVQMAO-OXQOHEQNSA-N -1 1 444.553 3.957 50 0 IHAAMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cc2nc(-c3cccnc3)no2)c1 ZINC000096119625 569384644 /nfs/dbraw/zinc/38/46/44/569384644.db2.gz KSPKQVSHKHVSIF-UHFFFAOYSA-N -1 1 434.477 3.726 50 0 IHAAMM CC[C@@H](C)NC(=O)c1c[n-]c2ccc(S(=O)(=O)N(C)c3ccc(Cl)cc3)cc2c1=O ZINC000003031968 569437773 /nfs/dbraw/zinc/43/77/73/569437773.db2.gz WEBFOPHJLJGZAX-CYBMUJFWSA-N -1 1 447.944 3.535 50 0 IHAAMM CN1CCN(c2ccccc2[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000039996790 569482401 /nfs/dbraw/zinc/48/24/01/569482401.db2.gz ZUIFIPPGXBKNSW-UHFFFAOYSA-N -1 1 433.883 3.911 50 0 IHAAMM CCc1cc(=O)[nH]c(-c2cccc(NC(=O)Cn3c(=S)[n-]nc3-c3cccc(C)c3)c2)n1 ZINC000040151987 569493343 /nfs/dbraw/zinc/49/33/43/569493343.db2.gz CXVYWQWTNOEWIR-UHFFFAOYSA-N -1 1 446.536 3.868 50 0 IHAAMM COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000069376989 569503424 /nfs/dbraw/zinc/50/34/24/569503424.db2.gz VYEBUOCCRKMLDZ-UHFFFAOYSA-N -1 1 434.695 3.919 50 0 IHAAMM O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)cc1 ZINC000009153204 569507997 /nfs/dbraw/zinc/50/79/97/569507997.db2.gz IMLOWZJKJHHMQZ-UHFFFAOYSA-N -1 1 447.516 3.557 50 0 IHAAMM CCCN1c2ccc([N-]S(=O)(=O)c3ccc(OC)c(F)c3)cc2OCC(C)(C)C1=O ZINC000009167608 569508985 /nfs/dbraw/zinc/50/89/85/569508985.db2.gz UXJDASBYBNOCLA-UHFFFAOYSA-N -1 1 436.505 3.797 50 0 IHAAMM O=C(Cc1sc(N2CCCC2)nc1[O-])Nc1ccc(C(=O)NC2CCCCCC2)cc1 ZINC000009413455 569531746 /nfs/dbraw/zinc/53/17/46/569531746.db2.gz KSIYZHWVBSMMIL-LJQANCHMSA-N -1 1 442.585 3.562 50 0 IHAAMM O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000009514421 569543216 /nfs/dbraw/zinc/54/32/16/569543216.db2.gz UYQBWWQNBNEZNU-UHFFFAOYSA-N -1 1 435.505 3.632 50 0 IHAAMM CCCc1cc(=O)[n-]c(-n2nc(C)cc2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1 ZINC000009660367 569556793 /nfs/dbraw/zinc/55/67/93/569556793.db2.gz PCJRLJUPAYCVKN-UHFFFAOYSA-N -1 1 429.908 3.666 50 0 IHAAMM O=C(NCc1cccs1)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 ZINC000009671395 569558573 /nfs/dbraw/zinc/55/85/73/569558573.db2.gz DSEJFKFNIPPCKC-UHFFFAOYSA-N -1 1 444.534 3.640 50 0 IHAAMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)n1 ZINC000009684604 569560591 /nfs/dbraw/zinc/56/05/91/569560591.db2.gz KVWRRKXFXAWMBR-UHFFFAOYSA-N -1 1 446.554 3.594 50 0 IHAAMM NC(=O)c1oc2ccccc2c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000009714899 569562923 /nfs/dbraw/zinc/56/29/23/569562923.db2.gz YWJJXGABPBIFOF-UHFFFAOYSA-N -1 1 435.461 3.585 50 0 IHAAMM Cc1cc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)ccc1Br ZINC000009708653 132236881 /nfs/dbraw/zinc/23/68/81/132236881.db2.gz KAVXNZXPMWYSLW-UHFFFAOYSA-N -1 1 435.343 3.784 50 0 IHAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(=O)C2CCC2)cc1OC ZINC000008601018 132286374 /nfs/dbraw/zinc/28/63/74/132286374.db2.gz NIDKVWLWGUKBGJ-UHFFFAOYSA-N -1 1 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434.319 3.547 50 0 IHAAMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@H](C)S3)cc1Cl ZINC000032943901 557021627 /nfs/dbraw/zinc/02/16/27/557021627.db2.gz LABMIVJGHAIKID-NSHDSACASA-N -1 1 426.947 3.997 50 0 IHAAMM CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)cc1 ZINC000046074601 557030573 /nfs/dbraw/zinc/03/05/73/557030573.db2.gz WSQCRVGBEPBPOZ-KRWDZBQOSA-N -1 1 434.521 3.689 50 0 IHAAMM Cc1cccc(CSc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccccc2F)CC(=O)N3)c1 ZINC000046074806 557030972 /nfs/dbraw/zinc/03/09/72/557030972.db2.gz ZLFSYMWSBYTTGM-AWEZNQCLSA-N -1 1 438.484 3.574 50 0 IHAAMM Cc1ccc(CSc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccccc2C)CC(=O)N3)cc1 ZINC000046074906 557031486 /nfs/dbraw/zinc/03/14/86/557031486.db2.gz ZZDXYBFDQRDPSO-INIZCTEOSA-N -1 1 434.521 3.744 50 0 IHAAMM Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(SCc4ccccc4F)[n-]c(=O)c32)cc1 ZINC000046075258 557031944 /nfs/dbraw/zinc/03/19/44/557031944.db2.gz TZEZVCYTVIAUPE-HNNXBMFYSA-N -1 1 438.484 3.574 50 0 IHAAMM 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Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C2CCC2)cc1N(C)C ZINC000006899788 569103403 /nfs/dbraw/zinc/10/34/03/569103403.db2.gz FMAURPVSWQVKRV-INIZCTEOSA-N -1 1 427.570 3.940 50 0 IHAAMM Cc1sc(-c2nnc(C(=O)N3CCCC3)o2)cc1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000065116569 569107330 /nfs/dbraw/zinc/10/73/30/569107330.db2.gz GVHSMXUBPRHBFV-UHFFFAOYSA-N -1 1 446.554 3.760 50 0 IHAAMM Cc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)ccc2C)cc1C ZINC000065318844 569134493 /nfs/dbraw/zinc/13/44/93/569134493.db2.gz ZDRREVNPDJDVCD-UHFFFAOYSA-N -1 1 440.525 3.699 50 0 IHAAMM O=C(CSc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)c1ccc([O-])cc1O ZINC000009881181 569149468 /nfs/dbraw/zinc/14/94/68/569149468.db2.gz VYRMVCANXDBPSX-UHFFFAOYSA-N -1 1 442.516 3.779 50 0 IHAAMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1 ZINC000013696189 569156586 /nfs/dbraw/zinc/15/65/86/569156586.db2.gz SKYDFMIJSPNQQC-UHFFFAOYSA-N -1 1 441.534 3.710 50 0 IHAAMM C[C@H](CCc1ccccc1)NC(=O)Cc1cc(=O)[n-]c(SCc2ccc(F)cc2)n1 ZINC000016851346 569165024 /nfs/dbraw/zinc/16/50/24/569165024.db2.gz FESXVNTWMQNZQT-MRXNPFEDSA-N -1 1 425.529 3.881 50 0 IHAAMM Cc1nn(-c2nc(C)c(C)c(=O)[n-]2)c(C)c1CCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000016980815 569169171 /nfs/dbraw/zinc/16/91/71/569169171.db2.gz HKEAPTWATOHTTI-UHFFFAOYSA-N -1 1 433.434 3.779 50 0 IHAAMM Cc1ccc(-c2nc(C(=O)N3CCC(C[N-]C(=O)C(F)(F)F)CC3)cs2)c(C)c1 ZINC000253397641 569264778 /nfs/dbraw/zinc/26/47/78/569264778.db2.gz IQJJNCYNNJTJPO-UHFFFAOYSA-N -1 1 425.476 3.958 50 0 IHAAMM COC(=O)CN[C@H](c1ccccc1)c1cc(C)ccc1[N-]S(=O)(=O)c1ccccc1C ZINC000328597986 569318117 /nfs/dbraw/zinc/31/81/17/569318117.db2.gz JYEGONLPWADUDH-XMMPIXPASA-N -1 1 438.549 3.956 50 0 IHAAMM O=C(c1ccc([O-])cc1)C1CCN([C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000078808797 569319210 /nfs/dbraw/zinc/31/92/10/569319210.db2.gz HQZHSTBSJROWHD-HXUWFJFHSA-N -1 1 448.441 3.991 50 0 IHAAMM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCC(CO)CC3)cc2)cc1 ZINC000079001693 569321870 /nfs/dbraw/zinc/32/18/70/569321870.db2.gz DLCNYIVUBHSCMD-UHFFFAOYSA-N -1 1 430.570 3.530 50 0 IHAAMM CC(C)(C)[N-]S(=O)(=O)c1ccc(-c2nc(-c3ccccc3Br)no2)o1 ZINC000095942964 569375569 /nfs/dbraw/zinc/37/55/69/569375569.db2.gz BAOVLPUABPKNBG-UHFFFAOYSA-N -1 1 426.292 3.836 50 0 IHAAMM Cc1c([N-]S(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)n[nH]c1-c1ccncc1 ZINC000095976384 569377673 /nfs/dbraw/zinc/37/76/73/569377673.db2.gz GWXVURHTIHCZLF-UHFFFAOYSA-N -1 1 428.905 3.728 50 0 IHAAMM COc1ccccc1C(=O)[N-]C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C ZINC000003402301 569449831 /nfs/dbraw/zinc/44/98/31/569449831.db2.gz FOUYTPONQWPSJP-UHFFFAOYSA-N -1 1 438.553 3.837 50 0 IHAAMM COc1ccc(Cl)cc1/N=c1\oc2cc([O-])ccc2cc1C(=O)NC[C@@H]1CCCO1 ZINC000067298839 569468124 /nfs/dbraw/zinc/46/81/24/569468124.db2.gz XDHNZPMKDYQNGK-NOAXNCOGSA-N -1 1 428.872 3.942 50 0 IHAAMM O=C(COC(=O)c1nn(-c2ccccc2)cc1[O-])NC(c1ccccc1)c1ccccc1 ZINC000009128463 569505448 /nfs/dbraw/zinc/50/54/48/569505448.db2.gz RRKXCCNSLWDPER-UHFFFAOYSA-N -1 1 427.460 3.641 50 0 IHAAMM CC(=O)N1c2cc(S(=O)(=O)[N-]c3cc(F)ccc3F)c(Br)cc2C[C@H]1C ZINC000040450558 569506312 /nfs/dbraw/zinc/50/63/12/569506312.db2.gz AFISXOYUVXUDJK-SECBINFHSA-N -1 1 445.285 3.826 50 0 IHAAMM CCCN1c2ccc([N-]S(=O)(=O)c3ccc(OC)c(OC)c3)cc2OCC(C)(C)C1=O ZINC000009167426 569509033 /nfs/dbraw/zinc/50/90/33/569509033.db2.gz QFVHIPJWMZYIAT-UHFFFAOYSA-N -1 1 448.541 3.666 50 0 IHAAMM COc1ccc(OC)c(-c2nc3c(c(=O)[n-]2)Cc2cc(Br)cc(OC)c2O3)c1 ZINC000009290445 569519772 /nfs/dbraw/zinc/51/97/72/569519772.db2.gz YRAQUVJZZARWTD-UHFFFAOYSA-N -1 1 445.269 3.922 50 0 IHAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCc3cn4ccccc4n3)cc2)c1 ZINC000009376469 569527325 /nfs/dbraw/zinc/52/73/25/569527325.db2.gz UCGXFVHGQZTHKW-UHFFFAOYSA-N -1 1 434.521 3.682 50 0 IHAAMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3ccc(C)o3)cc2)cc1 ZINC000009468014 569538550 /nfs/dbraw/zinc/53/85/50/569538550.db2.gz VTHAAQJJLVJTEU-UHFFFAOYSA-N -1 1 426.494 3.864 50 0 IHAAMM O=C(Nc1ccccc1N1CCCC1=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000009915522 569573386 /nfs/dbraw/zinc/57/33/86/569573386.db2.gz IRQDVNGYBDTJJE-UHFFFAOYSA-N -1 1 435.505 3.867 50 0 IHAAMM