smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([N-]S(=O)(=O)c2c3nsnc3ccc2C)c([N+](=O)[O-])c1 ZINC000003991738 204022795 /nfs/dbraw/zinc/02/27/95/204022795.db2.gz QEWMWZVENZASJO-UHFFFAOYSA-N -1 0 380.407 2.717 50 10 GFCARM CN1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3C(=O)[O-])o2)C(=O)N(C)C1=O ZINC000004557769 204053891 /nfs/dbraw/zinc/05/38/91/204053891.db2.gz KVHDDNXSSBRLRZ-UHFFFAOYSA-N -1 0 388.763 2.732 50 10 GFCARM CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1cccc(C)c1 ZINC000005906582 204157428 /nfs/dbraw/zinc/15/74/28/204157428.db2.gz DHUZUOYIYPSBOD-UHFFFAOYSA-N -1 0 380.400 2.722 50 10 GFCARM COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1ccc(Cl)cc1 ZINC000009348914 204308611 /nfs/dbraw/zinc/30/86/11/204308611.db2.gz DIASJXVRAARSKU-UHFFFAOYSA-N -1 0 386.791 2.677 50 10 GFCARM CCn1cc(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)[O-])C2=O)cn1 ZINC000002806904 206211987 /nfs/dbraw/zinc/21/19/87/206211987.db2.gz ILWLSZVGIPIVLP-UWZYDCLUSA-N -1 0 387.486 2.800 50 10 GFCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1nnc(-c2ccccc2)s1 ZINC000100640579 136189076 /nfs/dbraw/zinc/18/90/76/136189076.db2.gz VRINWRFAKFROOV-KAMYIIQDSA-N -1 0 391.412 2.784 50 10 GFCARM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(OC)c1 ZINC000001195138 536598439 /nfs/dbraw/zinc/59/84/39/536598439.db2.gz KWUCFKXODXVEKB-MHWRWJLKSA-N -1 0 382.441 2.844 50 10 GFCARM COc1ccc(OC)c(NC=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c1 ZINC000018203557 570809804 /nfs/dbraw/zinc/80/98/04/570809804.db2.gz PTTVVXJAQZAOIJ-WJDWOHSUSA-N -1 0 395.415 2.899 50 10 GFCARM CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S ZINC000001293682 570956213 /nfs/dbraw/zinc/95/62/13/570956213.db2.gz PHNBTXGRVXGNDO-GARZTLJTSA-N -1 0 397.474 2.777 50 10 GFCARM O=C1/C(=C/C=C/c2ccco2)SC(=S)N1[N-]S(=O)(=O)c1ccccc1 ZINC000013119719 654502967 /nfs/dbraw/zinc/50/29/67/654502967.db2.gz YIUMXULORVBWLL-SPGDJUBISA-N -1 0 392.483 2.931 50 10 GFCARM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1OC(C)=O ZINC000004813703 204078157 /nfs/dbraw/zinc/07/81/57/204078157.db2.gz OZCNINUCXOEEKI-XNTDXEJSSA-N -1 0 394.383 2.595 50 10 GFCARM CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000009089830 204298132 /nfs/dbraw/zinc/29/81/32/204298132.db2.gz AJRUFIHVYJZQEG-MHWRWJLKSA-N -1 0 398.419 2.528 50 10 GFCARM O=C1NC(=S)NC(=O)C1=Cc1ccc(Oc2nc(Cl)ncc2F)cc1 ZINC000096527200 206123370 /nfs/dbraw/zinc/12/33/70/206123370.db2.gz FIDSRLGDTPABEU-UHFFFAOYSA-N -1 0 378.772 2.816 50 10 GFCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1O ZINC000001178598 136196286 /nfs/dbraw/zinc/19/62/86/136196286.db2.gz WHRCEVCDNMVLAE-NTUHNPAUSA-N -1 0 383.316 2.816 50 10 GFCARM CCOc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(=O)OC)cc3)C2=O)c1 ZINC000022238491 136203704 /nfs/dbraw/zinc/20/37/04/136203704.db2.gz AFMLJIXFCFOXKE-SFQUDFHCSA-N -1 0 394.383 2.538 50 10 GFCARM CC(C)C[C@H](C(=O)[O-])N1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S ZINC000001227093 570259331 /nfs/dbraw/zinc/25/93/31/570259331.db2.gz DMMNATWUZUXCKV-LPJIALBHSA-N -1 0 376.459 2.709 50 10 GFCARM COc1ccc(CNC=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000100359780 570421442 /nfs/dbraw/zinc/42/14/42/570421442.db2.gz ZKKHXBSTRKXATH-WJDWOHSUSA-N -1 0 385.807 2.605 50 10 GFCARM CCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000100727523 570435887 /nfs/dbraw/zinc/43/58/87/570435887.db2.gz AHITVKXZFHBIHN-UHFFFAOYSA-N -1 0 383.473 2.980 50 10 GFCARM COc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)ccc1OCc1cccc(F)c1 ZINC000013546927 570757392 /nfs/dbraw/zinc/75/73/92/570757392.db2.gz ICSVYTZXAXAZMW-DHDCSXOGSA-N -1 0 384.363 2.505 50 10 GFCARM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c(OC)c1OC ZINC000013775638 570789410 /nfs/dbraw/zinc/78/94/10/570789410.db2.gz TVQLDDBXYZVHHN-KAMYIIQDSA-N -1 0 388.420 2.507 50 10 GFCARM COc1cc2c(cc1/C=C1/C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C1=O)OCO2 ZINC000014010839 570814387 /nfs/dbraw/zinc/81/43/87/570814387.db2.gz PJNTXURRBATSRY-CHHVJCJISA-N -1 0 394.383 2.707 50 10 GFCARM N=C1S/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)C(=O)N1c1nonc1N ZINC000008846315 204291230 /nfs/dbraw/zinc/29/12/30/204291230.db2.gz BJVRDHKCZLMLRR-ACEYWMDKSA-N -1 0 397.372 2.666 50 10 GFCARM COc1cc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccccc3O)C2)ccc1O ZINC000080316312 205384122 /nfs/dbraw/zinc/38/41/22/205384122.db2.gz CFCYXZRBGDKWRK-HNNXBMFYSA-N -1 0 384.388 2.649 50 10 GFCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000002280116 536598463 /nfs/dbraw/zinc/59/84/63/536598463.db2.gz SEJOUFFFEGXVQD-MHWRWJLKSA-N -1 0 380.400 2.987 50 10 GFCARM COc1cc(CCC(=O)NCc2cc([N+](=O)[O-])ccc2[O-])cc(OC)c1OC ZINC000035267983 570278491 /nfs/dbraw/zinc/27/84/91/570278491.db2.gz MWMWYGQFLOIOLN-UHFFFAOYSA-N -1 0 390.392 2.575 50 10 GFCARM O=C([O-])CN1C(=O)/C(=C\c2cc(Br)ccc2F)SC1=S ZINC000002988700 570323661 /nfs/dbraw/zinc/32/36/61/570323661.db2.gz RKSRFWIWXWBKSG-RUDMXATFSA-N -1 0 376.228 2.874 50 10 GFCARM O=C([O-])c1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cn1 ZINC000730970724 599837977 /nfs/dbraw/zinc/83/79/77/599837977.db2.gz CCZGNLWQNACJQE-UHFFFAOYSA-N -1 0 391.374 2.780 50 10 GFCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC ZINC000004704549 204066458 /nfs/dbraw/zinc/06/64/58/204066458.db2.gz QETCGVWHWVJDKC-MHWRWJLKSA-N -1 0 380.400 2.987 50 10 GFCARM COc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)C(=O)[N-]C1=S ZINC000004739253 204072379 /nfs/dbraw/zinc/07/23/79/204072379.db2.gz HBPLTCWYKOASTA-DHZHZOJOSA-N -1 0 388.832 2.886 50 10 GFCARM COc1cccc(N2C(=O)C(=Cc3nc4ccccc4[nH]3)C(=O)[N-]C2=S)c1 ZINC000006786896 204205561 /nfs/dbraw/zinc/20/55/61/204205561.db2.gz FXYWKBAADFLGAG-RAXLEYEMSA-N -1 0 378.413 2.814 50 10 GFCARM COc1ccc(N2C(=O)C(=Cc3nc4ccccc4[nH]3)C(=O)[N-]C2=S)cc1 ZINC000006786725 204206533 /nfs/dbraw/zinc/20/65/33/204206533.db2.gz UAFZSDZPKAWSIO-RAXLEYEMSA-N -1 0 378.413 2.814 50 10 GFCARM CC(=O)Nc1ccccc1NC=C1C(=O)[N-]C(=O)N(CCC2=CCCCC2)C1=O ZINC000009111562 204299385 /nfs/dbraw/zinc/29/93/85/204299385.db2.gz XVKBZOYYJCOJCM-SSZFMOIBSA-N -1 0 396.447 2.910 50 10 GFCARM O=C([O-])c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 ZINC000016906012 204602048 /nfs/dbraw/zinc/60/20/48/204602048.db2.gz LODNXHBSRNISDP-GXDHUFHOSA-N -1 0 384.438 2.931 50 10 GFCARM COc1ccc(OC)c(NC=C2C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c1 ZINC000100401514 136189110 /nfs/dbraw/zinc/18/91/10/136189110.db2.gz WKWMIEMGDCWMFA-KAMYIIQDSA-N -1 0 397.456 2.756 50 10 GFCARM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(OC)c1OC ZINC000013773940 136201427 /nfs/dbraw/zinc/20/14/27/136201427.db2.gz FUCHKFYISZXXFY-DHDCSXOGSA-N -1 0 396.399 2.687 50 10 GFCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Br)o3)C2=O)cc1 ZINC000000759579 524392862 /nfs/dbraw/zinc/39/28/62/524392862.db2.gz NXHAJRXISFUMEU-XYOKQWHBSA-N -1 0 391.177 2.717 50 10 GFCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCN(C)CC4)o3)C2=O)c1 ZINC000025180163 524534143 /nfs/dbraw/zinc/53/41/43/524534143.db2.gz SWBDMHJCXXGUKO-GHRIWEEISA-N -1 0 394.431 2.847 50 10 GFCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc2c(c1)OCO2 ZINC000000653726 570214265 /nfs/dbraw/zinc/21/42/65/570214265.db2.gz QWWCFUGGDAQZJN-NTUHNPAUSA-N -1 0 386.816 2.900 50 10 GFCARM C[C@H]1CC[C@@](C(N)=O)(c2c([O-])n(-c3ccccc3)n(-c3ccccc3)c2=O)C1 ZINC000101172632 570281470 /nfs/dbraw/zinc/28/14/70/570281470.db2.gz DMABCDOEBFJPEP-NYHFZMIOSA-N -1 0 377.444 2.889 50 10 GFCARM O=C1[N-]N(c2ccc(I)cc2)C(=O)/C1=C/c1ccccc1 ZINC000000726015 570306924 /nfs/dbraw/zinc/30/69/24/570306924.db2.gz KAGAMCCGZCDKMX-GXDHUFHOSA-N -1 0 390.180 2.753 50 10 GFCARM COC(=O)Cc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1cccnc1 ZINC000100423397 570360010 /nfs/dbraw/zinc/36/00/10/570360010.db2.gz GXWBJYXNJQZZIY-UYRXBGFRSA-N -1 0 380.404 2.742 50 10 GFCARM COc1ccc(N(CC(=O)[O-])CC(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000034926485 570548165 /nfs/dbraw/zinc/54/81/65/570548165.db2.gz HQKWBMOFSJVGGK-UHFFFAOYSA-N -1 0 376.840 2.599 50 10 GFCARM O=C([O-])c1ccc(-c2ccc(/C=C3/SC(N4CCOCC4)=NC3=O)o2)cc1 ZINC000001235375 203898866 /nfs/dbraw/zinc/89/88/66/203898866.db2.gz YGNNPZMEVYARSC-LFIBNONCSA-N -1 0 384.413 2.947 50 10 GFCARM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)cc1O ZINC000004689866 204064245 /nfs/dbraw/zinc/06/42/45/204064245.db2.gz LLEUXCSBGQWHDV-NTEUORMPSA-N -1 0 382.441 2.849 50 10 GFCARM COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])o3)C2=O)c1 ZINC000008766842 204289824 /nfs/dbraw/zinc/28/98/24/204289824.db2.gz ROQAODWCWUSFSX-YRNVUSSQSA-N -1 0 387.304 2.712 50 10 GFCARM CCN(CC)c1ccc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(OC)c1 ZINC000015800017 204578807 /nfs/dbraw/zinc/57/88/07/204578807.db2.gz YHMGRTBDXVRWDA-BOPFTXTBSA-N -1 0 397.431 2.796 50 10 GFCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cccc(O)c1 ZINC000013371379 551108700 /nfs/dbraw/zinc/10/87/00/551108700.db2.gz SWZOJZOXQKIJOU-NTEUORMPSA-N -1 0 387.189 2.821 50 10 GFCARM COC(=O)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000001176143 570254439 /nfs/dbraw/zinc/25/44/39/570254439.db2.gz WZAZEHVLGZXNHP-GZTJUZNOSA-N -1 0 378.384 2.756 50 10 GFCARM COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OCc1ccccc1Cl ZINC000001194312 570713733 /nfs/dbraw/zinc/71/37/33/570713733.db2.gz AIXUOIQSOAMBHU-UHFFFAOYSA-N -1 0 386.791 2.677 50 10 GFCARM Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000013748475 570784466 /nfs/dbraw/zinc/78/44/66/570784466.db2.gz MLMYFMPQZHJXTK-DHDCSXOGSA-N -1 0 383.429 2.889 50 10 GFCARM C[C@H](NC(=O)COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1)c1ccccc1 ZINC000017027250 570937466 /nfs/dbraw/zinc/93/74/66/570937466.db2.gz WBSKXLXJKAQVAA-ZDUSSCGKSA-N -1 0 393.399 2.533 50 10 GFCARM O=C([O-])c1cc(O)ccc1NC(=O)c1ccc(C=C2SC(=O)NC2=O)cc1 ZINC000005345484 204127552 /nfs/dbraw/zinc/12/75/52/204127552.db2.gz RXCGAPIRQRIVDO-AUWJEWJLSA-N -1 0 384.369 2.667 50 10 GFCARM O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(N2CCCC2)o1 ZINC000009356846 204308911 /nfs/dbraw/zinc/30/89/11/204308911.db2.gz JXTCMUNQMBEJOK-RVDMUPIBSA-N -1 0 385.420 2.850 50 10 GFCARM O=C([O-])c1cc(O)ccc1NC(=O)c1ccc(I)cc1 ZINC000013957486 205893218 /nfs/dbraw/zinc/89/32/18/205893218.db2.gz FBYWFVLKEZISCW-UHFFFAOYSA-N -1 0 383.141 2.947 50 10 GFCARM Cc1ccc(C)c(OCCOc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2)c1 ZINC000002977053 206212901 /nfs/dbraw/zinc/21/29/01/206212901.db2.gz OIGPMVJXODDVQX-UHFFFAOYSA-N -1 0 380.400 2.511 50 10 GFCARM CC(C)CCN1c2ccccc2/C(=C2/SC(=S)N(CC(=O)[O-])C2=O)C1=O ZINC000002678237 570294787 /nfs/dbraw/zinc/29/47/87/570294787.db2.gz ZEGFSUATVPWMCJ-PFONDFGASA-N -1 0 390.486 2.735 50 10 GFCARM Cc1c(C=C2C(=O)[N-]C(=O)NC2=O)c2ccccc2n1Cc1ccc(F)cc1 ZINC000002978212 570321483 /nfs/dbraw/zinc/32/14/83/570321483.db2.gz FEGBDSYDICMBLY-UHFFFAOYSA-N -1 0 377.375 2.887 50 10 GFCARM CC1=NN(c2nnn[n-]2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000012412863 570419145 /nfs/dbraw/zinc/41/91/45/570419145.db2.gz LFGHRKRFYYRIMG-XFFZJAGNSA-N -1 0 399.754 2.827 50 10 GFCARM COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OCc1ccc(Cl)cc1 ZINC000001193130 570713688 /nfs/dbraw/zinc/71/36/88/570713688.db2.gz JIIXUHQEMQVEID-UHFFFAOYSA-N -1 0 386.791 2.677 50 10 GFCARM COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=CNc3cccc(C)c3)C2=O)c1 ZINC000017086454 570941861 /nfs/dbraw/zinc/94/18/61/570941861.db2.gz IYSHKOKGAOXYTJ-PTNGSMBKSA-N -1 0 381.388 2.591 50 10 GFCARM Cc1cc(F)ccc1S(=O)(=O)Nc1ccc([O-])c(Sc2nc[nH]n2)c1 ZINC000005447759 204132880 /nfs/dbraw/zinc/13/28/80/204132880.db2.gz UVXSQEMYMDQATO-UHFFFAOYSA-N -1 0 380.426 2.910 50 10 GFCARM CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000009015839 204296373 /nfs/dbraw/zinc/29/63/73/204296373.db2.gz QOQRVGDDTBXLLA-BOPFTXTBSA-N -1 0 378.388 2.532 50 10 GFCARM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(OC)c1OC ZINC000013773803 136201378 /nfs/dbraw/zinc/20/13/78/136201378.db2.gz XOYHQOIXIIIRHD-ZROIWOOFSA-N -1 0 398.440 2.544 50 10 GFCARM O=C([O-])COc1ccc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)cc1 ZINC000001166059 570252689 /nfs/dbraw/zinc/25/26/89/570252689.db2.gz NHJJPTIZOGQJTO-NVNXTCNLSA-N -1 0 386.454 2.946 50 10 GFCARM O=C1[N-]C(=O)N(CCC2=CCCCC2)C(=O)C1=CNCCc1ccc(F)cc1 ZINC000100401312 570358675 /nfs/dbraw/zinc/35/86/75/570358675.db2.gz GXHHFNLDLPVBNI-JXAWBTAJSA-N -1 0 385.439 2.811 50 10 GFCARM O=C([O-])c1ccc(-c2ccc(/C=C3\SC(N4CCOCC4)=NC3=O)o2)cc1 ZINC000033326733 570406757 /nfs/dbraw/zinc/40/67/57/570406757.db2.gz YGNNPZMEVYARSC-WJDWOHSUSA-N -1 0 384.413 2.947 50 10 GFCARM Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCc3cc([N+](=O)[O-])ccc3[O-])c12 ZINC000032899928 570895640 /nfs/dbraw/zinc/89/56/40/570895640.db2.gz PHQCCDLIBQEPNZ-UHFFFAOYSA-N -1 0 381.392 2.698 50 10 GFCARM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(CCc3ccc(F)cc3)C2=O)cc1OC ZINC000016183830 570916355 /nfs/dbraw/zinc/91/63/55/570916355.db2.gz HIOQLJQHWLEQRE-WJDWOHSUSA-N -1 0 398.390 2.547 50 10 GFCARM CCOc1cc2c(cc1/C=C1/SC(=S)N(CC(=O)[O-])C1=O)O[C@@H](C)C2 ZINC000033502433 654609829 /nfs/dbraw/zinc/60/98/29/654609829.db2.gz WASNYOKAAQVGLW-DUJAKZANSA-N -1 0 379.459 2.695 50 10 GFCARM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)ccc1O ZINC000004690268 204064690 /nfs/dbraw/zinc/06/46/90/204064690.db2.gz WAIPVYPGVKVWQF-RIYZIHGNSA-N -1 0 386.404 2.761 50 10 GFCARM COCCN1C(=O)C(=Cc2c(C)[n-]n(-c3ccccc3)c2=O)SC1=S ZINC000005530920 204139331 /nfs/dbraw/zinc/13/93/31/204139331.db2.gz PXFZJSXNFPFWNJ-UVTDQMKNSA-N -1 0 375.475 2.734 50 10 GFCARM COCCn1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c1C ZINC000009108870 204298554 /nfs/dbraw/zinc/29/85/54/204298554.db2.gz GVUVCXVCFPFFEE-SFQUDFHCSA-N -1 0 383.473 2.583 50 10 GFCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000100637640 136189108 /nfs/dbraw/zinc/18/91/08/136189108.db2.gz TVLDJJYDFXJKOT-XFXZXTDPSA-N -1 0 386.751 2.827 50 10 GFCARM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)C1=CNCCc1c[nH]c2ccccc12 ZINC000101042521 136195999 /nfs/dbraw/zinc/19/59/99/136195999.db2.gz QUMSDLURUWXZQT-ATVHPVEESA-N -1 0 392.390 2.606 50 10 GFCARM Cc1ccc(C(=O)[O-])cc1-c1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)o1 ZINC000000655865 570214653 /nfs/dbraw/zinc/21/46/53/570214653.db2.gz FHAZBARARCIXMB-UHFFFAOYSA-N -1 0 384.413 2.552 50 10 GFCARM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000001202276 570257558 /nfs/dbraw/zinc/25/75/58/570257558.db2.gz NRRYDXUIYXZVIE-XNTDXEJSSA-N -1 0 384.363 2.899 50 10 GFCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000001082209 570751055 /nfs/dbraw/zinc/75/10/55/570751055.db2.gz FPXCAUDIWGMIGL-LFIBNONCSA-N -1 0 396.399 2.769 50 10 GFCARM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)C1=Cc1ccc(N2CCOCC2)o1 ZINC000017056223 570938098 /nfs/dbraw/zinc/93/80/98/570938098.db2.gz LCMQUNGDEIUEDO-RVDMUPIBSA-N -1 0 385.351 2.762 50 10 GFCARM Cc1cccc(C)c1OCCOc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1 ZINC000002977595 209118989 /nfs/dbraw/zinc/11/89/89/209118989.db2.gz WJIQIVHHTOSRJF-UHFFFAOYSA-N -1 0 380.400 2.511 50 10 GFCARM CCC[C@H](NC(=O)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1)C(=O)[O-] ZINC000004942293 208546878 /nfs/dbraw/zinc/54/68/78/208546878.db2.gz HBQMTCSGAVBKGH-OQZOHAQUSA-N -1 0 378.475 2.501 50 10 GFCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cccc3nsnc32)C1=O ZINC000101026668 136196263 /nfs/dbraw/zinc/19/62/63/136196263.db2.gz ZECVGPYOIWPFNT-PKNBQFBNSA-N -1 0 379.401 2.579 50 10 GFCARM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(OC)c1OC ZINC000013765563 136201382 /nfs/dbraw/zinc/20/13/82/136201382.db2.gz RSUKLBPOHBYYOR-ZROIWOOFSA-N -1 0 396.399 2.687 50 10 GFCARM COc1ccc(Cl)cc1N=Cc1c(C)[n-]n(-c2ccc3nnc(C)n3n2)c1=O ZINC000049546464 570269036 /nfs/dbraw/zinc/26/90/36/570269036.db2.gz UPEIHWZYBAFXHL-UKTHLTGXSA-N -1 0 397.826 2.813 50 10 GFCARM COc1ccc(N2C(=O)C(=CNc3cccc(N(C)C)c3)C(=O)[N-]C2=S)cc1 ZINC000002892778 570317493 /nfs/dbraw/zinc/31/74/93/570317493.db2.gz ZHBBSHVIMROJFJ-ATVHPVEESA-N -1 0 396.472 2.505 50 10 GFCARM COc1cc(/C=C2/C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C)cc(OC)c1O ZINC000005197872 570500176 /nfs/dbraw/zinc/50/01/76/570500176.db2.gz UOBNJNOKYLCAKM-OVCLIPMQSA-N -1 0 382.372 2.914 50 10 GFCARM COc1cc2c(cc1/C=C1/C(=O)[N-]C(=S)N(c3cccc(C)c3)C1=O)OCO2 ZINC000012467493 570671822 /nfs/dbraw/zinc/67/18/22/570671822.db2.gz AJVXTWCIANLWRV-AUWJEWJLSA-N -1 0 396.424 2.564 50 10 GFCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cccc4nsnc43)C2=O)cc1C ZINC000101110715 570814075 /nfs/dbraw/zinc/81/40/75/570814075.db2.gz JXKBIFGIFKOWER-LCYFTJDESA-N -1 0 393.428 2.887 50 10 GFCARM COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c1OC(C)C ZINC000004682259 570828957 /nfs/dbraw/zinc/82/89/57/570828957.db2.gz DUJJWHMQTSNPDG-XNTDXEJSSA-N -1 0 381.388 2.544 50 10 GFCARM COc1cc(Br)cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1O ZINC000001200336 206366396 /nfs/dbraw/zinc/36/63/96/206366396.db2.gz OYCGQTWXNBSRKM-MDWZMJQESA-N -1 0 389.205 2.625 50 10 GFCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cccc3nsnc32)C1=O ZINC000017194577 207086972 /nfs/dbraw/zinc/08/69/72/207086972.db2.gz ZECVGPYOIWPFNT-LUAWRHEFSA-N -1 0 379.401 2.579 50 10 GFCARM O=C([O-])c1ccc(COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)cc1 ZINC000020149859 207180249 /nfs/dbraw/zinc/18/02/49/207180249.db2.gz TUOOMNKUFMGQKF-UHFFFAOYSA-N -1 0 382.397 2.718 50 10 GFCARM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000095939638 208240498 /nfs/dbraw/zinc/24/04/98/208240498.db2.gz JOEMEHKOAGNQDY-UHFFFAOYSA-N -1 0 375.381 2.720 50 10 GFCARM C[C@@H]1CC[C@@](C(N)=O)(c2c([O-])n(-c3ccccc3)n(-c3ccccc3)c2=O)C1 ZINC000101172627 208387823 /nfs/dbraw/zinc/38/78/23/208387823.db2.gz DMABCDOEBFJPEP-QRQCRPRQSA-N -1 0 377.444 2.889 50 10 GFCARM COC(=O)Cc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1cccnc1 ZINC000101833999 208397855 /nfs/dbraw/zinc/39/78/55/208397855.db2.gz GXWBJYXNJQZZIY-CPNJWEJPSA-N -1 0 380.404 2.742 50 10 GFCARM CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CCC2 ZINC000005020833 570424305 /nfs/dbraw/zinc/42/43/05/570424305.db2.gz ILQPMYBYEUONKS-QOBDMFJFSA-N -1 0 375.446 2.875 50 10 GFCARM COc1cccc(C=C2C(=O)[N-]C(=O)NC2=O)c1OCc1ccccc1Cl ZINC000002775425 570515731 /nfs/dbraw/zinc/51/57/31/570515731.db2.gz ODAAVUONNJCGRA-UHFFFAOYSA-N -1 0 386.791 2.677 50 10 GFCARM Cc1cccc(N2C(=O)C(=Cc3ccc(N4CCOCC4)o3)C(=O)[N-]C2=S)c1 ZINC000008837312 570542265 /nfs/dbraw/zinc/54/22/65/570542265.db2.gz FXXQPDDEIOQLBR-VBKFSLOCSA-N -1 0 397.456 2.667 50 10 GFCARM COc1ccc(N(CC(=O)[O-])CC(=O)NCCc2cccc(Cl)c2)cc1 ZINC000034926478 570548193 /nfs/dbraw/zinc/54/81/93/570548193.db2.gz NUZNIFCTMOHYOU-UHFFFAOYSA-N -1 0 376.840 2.599 50 10 GFCARM C[C@H](NS(=O)(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1)C(=O)[O-] ZINC000040442561 570603078 /nfs/dbraw/zinc/60/30/78/570603078.db2.gz MSJGMRRFQPODJE-RUWSDDDDSA-N -1 0 376.438 2.919 50 10 GFCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005650167 570679525 /nfs/dbraw/zinc/67/95/25/570679525.db2.gz IOHDSLPSPLYFEA-FMIVXFBMSA-N -1 0 386.751 2.827 50 10 GFCARM CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1 ZINC000006898409 570695177 /nfs/dbraw/zinc/69/51/77/570695177.db2.gz MQDHOCZGRHALLW-WJDWOHSUSA-N -1 0 378.388 2.532 50 10 GFCARM COc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc(Cl)c1O ZINC000012868126 570725732 /nfs/dbraw/zinc/72/57/32/570725732.db2.gz ZPVIXJXRGAIQCQ-KPKJPENVSA-N -1 0 378.812 2.849 50 10 GFCARM COc1ccc(Br)cc1/C=C1/SC(=S)N(CC(=O)[O-])C1=O ZINC000002908001 654438523 /nfs/dbraw/zinc/43/85/23/654438523.db2.gz NVMMQRIEVFYEDT-BJMVGYQFSA-N -1 0 388.264 2.744 50 10 GFCARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(O)c(OC)c3)C2=O)c1 ZINC000001239259 206370889 /nfs/dbraw/zinc/37/08/89/206370889.db2.gz MNZLBHNRJDGKIG-VGOFMYFVSA-N -1 0 398.371 2.925 50 10 biogenic,in-vitro GFCARM COc1cc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cc(OC)c1OC ZINC000012504557 206905434 /nfs/dbraw/zinc/90/54/34/206905434.db2.gz QLCIOGTYGQXGSC-LCYFTJDESA-N -1 0 397.474 2.778 50 10 GFCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=CNN1CCCCC1 ZINC000020024194 207174925 /nfs/dbraw/zinc/17/49/25/207174925.db2.gz WZYAPVMEPMHQGE-RAXLEYEMSA-N -1 0 393.241 2.747 50 10 GFCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S ZINC000005350902 551097423 /nfs/dbraw/zinc/09/74/23/551097423.db2.gz WMAXIXPYANMUJQ-SZUMLMDFSA-N -1 0 385.488 2.505 50 10 GFCARM COc1ccc(OCCOc2cccc(C=C3C(=O)[N-]C(=O)NC3=O)c2)cc1 ZINC000002977358 570321455 /nfs/dbraw/zinc/32/14/55/570321455.db2.gz JAUMTELAHYZCNS-UHFFFAOYSA-N -1 0 382.372 2.743 50 10 GFCARM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1sc2c(c1C(N)=O)CCCC2 ZINC000006623409 570506594 /nfs/dbraw/zinc/50/65/94/570506594.db2.gz FWYQZTNIQZFKSC-UHFFFAOYSA-N -1 0 395.462 2.743 50 10 GFCARM CCc1cc(C(=O)COc2ccccc2)c(O)c(C[N@@H+]2CCC[C@@H]2C(=O)[O-])c1[O-] ZINC000005092957 570541142 /nfs/dbraw/zinc/54/11/42/570541142.db2.gz MLXYYCAWSWRSNG-GOSISDBHSA-N -1 0 399.443 2.971 50 10 GFCARM O=C1[N-]C(=O)C(=Cc2ccc(N3CCc4ccccc4C3)c([N+](=O)[O-])c2)C(=O)N1 ZINC000004543690 570855607 /nfs/dbraw/zinc/85/56/07/570855607.db2.gz QJEZKCQRCSJWFL-UHFFFAOYSA-N -1 0 392.371 2.747 50 10 GFCARM O=C1[N-]C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C(=O)N1 ZINC000002829825 570305378 /nfs/dbraw/zinc/30/53/78/570305378.db2.gz UQMDUEMGMULDMT-UHFFFAOYSA-N -1 0 392.802 2.942 50 10 GFCARM COc1ccc2[nH]c(=NC=C3C(=O)[N-]C(=O)N(c4ccccc4)C3=O)sc2c1 ZINC000002904160 570317811 /nfs/dbraw/zinc/31/78/11/570317811.db2.gz LKLHTCLNSNWQEW-RAXLEYEMSA-N -1 0 394.412 2.884 50 10 GFCARM COc1nccnc1[N-]S(=O)(=O)c1ccc(NCc2ccccc2O)cc1 ZINC000004384950 570725497 /nfs/dbraw/zinc/72/54/97/570725497.db2.gz XMYBEEZKKFOUGQ-UHFFFAOYSA-N -1 0 386.433 2.604 50 10 GFCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(N2CCCC2)o1 ZINC000000875990 206330968 /nfs/dbraw/zinc/33/09/68/206330968.db2.gz PIDPOJBPHCZFAY-ACCUITESSA-N -1 0 385.420 2.850 50 10 GFCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)cc(OC)c1O ZINC000001303110 206371991 /nfs/dbraw/zinc/37/19/91/206371991.db2.gz XRACPSILLKEUDF-XYOKQWHBSA-N -1 0 398.371 2.925 50 10 GFCARM COc1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)NC3=O)c2C)c([N+](=O)[O-])c1 ZINC000001147488 206359634 /nfs/dbraw/zinc/35/96/34/206359634.db2.gz BHGDRFFVRZHFEM-UHFFFAOYSA-N -1 0 384.348 2.601 50 10 GFCARM O=C1/C(=C/c2cccc(F)c2)SC(=S)N1[N-]S(=O)(=O)c1ccccc1 ZINC000002453316 206417191 /nfs/dbraw/zinc/41/71/91/206417191.db2.gz GAWDOOBLXBOOGU-UVTDQMKNSA-N -1 0 394.474 2.920 50 10 GFCARM CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(S(N)(=O)=O)cc1 ZINC000016160768 207072806 /nfs/dbraw/zinc/07/28/06/207072806.db2.gz GFAIRKHZQXCLQC-YBEGLDIGSA-N -1 0 390.852 2.706 50 10 GFCARM Cc1ccc(-n2cc(/C=C3/C(=O)[N-]C(=O)N(Cc4ccccc4)C3=O)cn2)cc1 ZINC000016225443 207074926 /nfs/dbraw/zinc/07/49/26/207074926.db2.gz IDRUSDQETACTKA-ODLFYWEKSA-N -1 0 386.411 2.843 50 10 GFCARM C[C@H]1c2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)cc3c2N(CCC3)C1=O ZINC000101664684 208395755 /nfs/dbraw/zinc/39/57/55/208395755.db2.gz KQPPMZHGDXNTEQ-NSHDSACASA-N -1 0 386.429 2.612 50 10 GFCARM COC(=O)Cc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1ccccn1 ZINC000101842424 208399003 /nfs/dbraw/zinc/39/90/03/208399003.db2.gz PAZFZQGFCFFXKF-CPNJWEJPSA-N -1 0 380.404 2.742 50 10 GFCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)o3)C2=O)cc1 ZINC000004513303 570380799 /nfs/dbraw/zinc/38/07/99/570380799.db2.gz CVVSUSPVDSGGER-VBKFSLOCSA-N -1 0 381.388 2.555 50 10 GFCARM O=C1[N-]C(=O)C(=Cc2ccc(OCCOc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1 ZINC000002992723 570527064 /nfs/dbraw/zinc/52/70/64/570527064.db2.gz TWWWKARYNOLSAO-UHFFFAOYSA-N -1 0 397.343 2.642 50 10 GFCARM COc1ccc(N2C(=O)C(=CNc3cccc(N(C)C)c3)C(=O)[N-]C2=S)cc1 ZINC000103843947 570889447 /nfs/dbraw/zinc/88/94/47/570889447.db2.gz ZHBBSHVIMROJFJ-SFQUDFHCSA-N -1 0 396.472 2.505 50 10 GFCARM CN(C)c1cccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c1 ZINC000103843254 570889525 /nfs/dbraw/zinc/88/95/25/570889525.db2.gz UIKIJTGLHAKJQC-SDNWHVSQSA-N -1 0 384.436 2.635 50 10 GFCARM Cc1ccc(C)c(OCCOc2ccccc2C=C2C(=O)[N-]C(=O)NC2=O)c1 ZINC000002977565 209117089 /nfs/dbraw/zinc/11/70/89/209117089.db2.gz UOUDNDPFRKNJOU-UHFFFAOYSA-N -1 0 380.400 2.511 50 10 GFCARM COc1ccc(-c2coc3c(ccc([O-])c3CN3CCN(C)CC3)c2=O)cc1 ZINC000020391511 206297273 /nfs/dbraw/zinc/29/72/73/206297273.db2.gz CJOWFYXKBAOZOK-UHFFFAOYSA-N -1 0 380.444 2.922 50 10 GFCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)o3)C2=O)cc1 ZINC000000875984 206330474 /nfs/dbraw/zinc/33/04/74/206330474.db2.gz CVVSUSPVDSGGER-FOWTUZBSSA-N -1 0 381.388 2.555 50 10 GFCARM COc1cc(OC)c(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(OC)c1 ZINC000001192580 206365286 /nfs/dbraw/zinc/36/52/86/206365286.db2.gz FBUXYRGXRWWIPM-RVDMUPIBSA-N -1 0 396.399 2.687 50 10 GFCARM COc1ccc(N2CCN(C(=O)CSc3ccccc3C(=O)[O-])CC2)cc1 ZINC000012517472 206905229 /nfs/dbraw/zinc/90/52/29/206905229.db2.gz XKTFESFGIRAAHN-UHFFFAOYSA-N -1 0 386.473 2.834 50 10 GFCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1cc([N+](=O)[O-])ccc1Cl ZINC000016488297 221363890 /nfs/dbraw/zinc/36/38/90/221363890.db2.gz OUNFYBONFMCOMT-FMIVXFBMSA-N -1 0 386.751 2.827 50 10 GFCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc2nccnc2c1 ZINC000101264235 136189435 /nfs/dbraw/zinc/18/94/35/136189435.db2.gz OGDAWMVWWQJKSX-GXDHUFHOSA-N -1 0 393.790 2.862 50 10 GFCARM Cn1c(=O)c(C2=NNC(=O)C2=Cc2c[nH]c3ccccc23)c([O-])c2ccccc21 ZINC000100261004 527022997 /nfs/dbraw/zinc/02/29/97/527022997.db2.gz GHSMBHJDXVJKMU-XNTDXEJSSA-N -1 0 384.395 2.643 50 10 GFCARM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)ccc1O ZINC000004690012 570393593 /nfs/dbraw/zinc/39/35/93/570393593.db2.gz MXHUMHYOYUFOGE-NTEUORMPSA-N -1 0 382.441 2.849 50 10 GFCARM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)cc1O ZINC000004689356 570393644 /nfs/dbraw/zinc/39/36/44/570393644.db2.gz QPBNRBOLBLJCAR-NTEUORMPSA-N -1 0 382.441 2.849 50 10 GFCARM O=C(Oc1ccccc1C=C1C(=O)[N-]C(=O)NC1=O)c1cccc2ccccc21 ZINC000002726798 570511333 /nfs/dbraw/zinc/51/13/33/570511333.db2.gz PRBVXIYCTRNWNL-UHFFFAOYSA-N -1 0 386.363 2.808 50 10 GFCARM CC1=NC(=S)N[C@H](c2cc([N+](=O)[O-])ccc2[O-])C1C(=O)Oc1ccccc1 ZINC000036184072 570562900 /nfs/dbraw/zinc/56/29/00/570562900.db2.gz LEYWRWBBECATBG-MRXNPFEDSA-N -1 0 385.401 2.699 50 10 GFCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCN(C)CC4)o3)C2=O)c1 ZINC000013546794 570757423 /nfs/dbraw/zinc/75/74/23/570757423.db2.gz SWBDMHJCXXGUKO-LGMDPLHJSA-N -1 0 394.431 2.847 50 10 GFCARM O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C/c1cccn1-c1ccc(F)cc1 ZINC000004677008 570823348 /nfs/dbraw/zinc/82/33/48/570823348.db2.gz GVLHSOJPRPJWMM-GZTJUZNOSA-N -1 0 376.347 2.678 50 10 GFCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 ZINC000004696818 570842008 /nfs/dbraw/zinc/84/20/08/570842008.db2.gz GMLOHAAXIMFVHH-SDQBBNPISA-N -1 0 387.189 2.639 50 10 GFCARM COc1ccccc1S(=O)(=O)[N-]c1sc2c(c1C(N)=O)CC[C@@H](C)C2 ZINC000013058974 206966914 /nfs/dbraw/zinc/96/69/14/206966914.db2.gz RIEUYNPOZJVPJV-SNVBAGLBSA-N -1 0 380.491 2.781 50 10 GFCARM COC(=O)c1ccc(/C=C2/SC(=S)N([C@H](C(=O)[O-])C(C)C)C2=O)cc1 ZINC000016786944 207078254 /nfs/dbraw/zinc/07/82/54/207078254.db2.gz HWEKDGAYBHWPNY-RPHSKFLZSA-N -1 0 379.459 2.784 50 10 GFCARM COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)OCO4)C2=O)c1 ZINC000017029066 136202249 /nfs/dbraw/zinc/20/22/49/136202249.db2.gz YKKGJGVYVHILBJ-NTUHNPAUSA-N -1 0 396.355 2.939 50 10 GFCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Br)o3)C2=O)cc1 ZINC000005061426 551096162 /nfs/dbraw/zinc/09/61/62/551096162.db2.gz NXHAJRXISFUMEU-WQLSENKSSA-N -1 0 391.177 2.717 50 10 GFCARM COc1cc(/C=C2\SC(=S)N([C@H](CCSC)C(=O)[O-])C2=O)ccc1O ZINC000013689053 551109737 /nfs/dbraw/zinc/10/97/37/551109737.db2.gz FYTQPPXGEPQUDL-GARZTLJTSA-N -1 0 399.515 2.808 50 10 GFCARM Cc1cccc(C)c1OCCOc1ccccc1C=C1C(=O)[N-]C(=O)NC1=O ZINC000005102445 570419014 /nfs/dbraw/zinc/41/90/14/570419014.db2.gz ZNLHPYPOBYDLTE-UHFFFAOYSA-N -1 0 380.400 2.511 50 10 GFCARM COc1ccccc1N1C(=O)/C(=C\c2ccc(O)c(Cl)c2)C(=O)[N-]C1=S ZINC000009323208 570555041 /nfs/dbraw/zinc/55/50/41/570555041.db2.gz HBPLTCWYKOASTA-FLIBITNWSA-N -1 0 388.832 2.886 50 10 GFCARM CCOc1cc2c(cc1/C=C1/SC(=S)N(CC(=O)[O-])C1=O)O[C@H](C)C2 ZINC000033502431 654609632 /nfs/dbraw/zinc/60/96/32/654609632.db2.gz WASNYOKAAQVGLW-CULDGANSSA-N -1 0 379.459 2.695 50 10 GFCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c(OC)c1OC ZINC000001066753 206348819 /nfs/dbraw/zinc/34/88/19/206348819.db2.gz ZHEKFAGMQTXYKB-SDNWHVSQSA-N -1 0 396.399 2.687 50 10 GFCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S ZINC000002119609 206399606 /nfs/dbraw/zinc/39/96/06/206399606.db2.gz DHSMBGJDULABKJ-RUDMXATFSA-N -1 0 376.228 2.874 50 10 GFCARM COc1ccc(-c2nc3sc(C(=O)N4CCOCC4)c([O-])c3c(C)n2)cc1 ZINC000013688491 206990838 /nfs/dbraw/zinc/99/08/38/206990838.db2.gz FOPKEBOSVANDNN-UHFFFAOYSA-N -1 0 385.445 2.853 50 10 GFCARM COc1ccccc1S(=O)(=O)[N-]c1nc(-c2cc(C(N)=O)oc2C)cs1 ZINC000089536593 208103689 /nfs/dbraw/zinc/10/36/89/208103689.db2.gz LNBRYYHDPKEBSK-UHFFFAOYSA-N -1 0 393.446 2.620 50 10 GFCARM CCOC(=O)c1[nH]c2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(C(C)(C)C)C1=O ZINC000097399978 209015518 /nfs/dbraw/zinc/01/55/18/209015518.db2.gz JQHMAPRDCCNVLX-JLHYYAGUSA-N -1 0 383.404 2.605 50 10 GFCARM CC(C)CCN1C(=O)c2ccc(C(=O)Nc3ccc(O)cc3C(=O)[O-])cc2C1=O ZINC000004859777 570413447 /nfs/dbraw/zinc/41/34/47/570413447.db2.gz KGNAMEZQMIFWIM-UHFFFAOYSA-N -1 0 396.399 2.985 50 10 GFCARM CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1ccc(F)cc1 ZINC000001062117 209294841 /nfs/dbraw/zinc/29/48/41/209294841.db2.gz KZGNAUSNNRBWPL-UHFFFAOYSA-N -1 0 384.363 2.553 50 10 GFCARM CC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(NC(C)=O)cc1 ZINC000097963974 211372901 /nfs/dbraw/zinc/37/29/01/211372901.db2.gz FJZHIBGMEBXZSJ-AWZKZOKMSA-N -1 0 378.392 2.594 50 10 GFCARM O=C1[N-]C(=O)C(=Cc2cccc(OCCOc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1 ZINC000002987371 570524774 /nfs/dbraw/zinc/52/47/74/570524774.db2.gz IOVUSGFJLLCQLG-UHFFFAOYSA-N -1 0 397.343 2.642 50 10 GFCARM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C\c1cccn1Cc1ccc(F)cc1 ZINC000013689564 570668687 /nfs/dbraw/zinc/66/86/87/570668687.db2.gz SELZHLXGIKFAJM-WQRHYEAKSA-N -1 0 393.374 2.931 50 10 GFCARM COc1ccc(S(=O)(=O)Nc2cc(Sc3nc[nH]n3)c([O-])cc2C)cc1 ZINC000004735797 570950347 /nfs/dbraw/zinc/95/03/47/570950347.db2.gz SOLWHNJPKRIEFB-UHFFFAOYSA-N -1 0 392.462 2.779 50 10 GFCARM Cc1ccc(N2[N-]C(=O)/C(=C/c3ccc(-c4ccc(C(N)=O)cc4)o3)C2=O)cc1 ZINC000032099658 570959794 /nfs/dbraw/zinc/95/97/94/570959794.db2.gz ZOXHWIJKVMFQNM-PDGQHHTCSA-N -1 0 387.395 2.815 50 10 GFCARM COc1cc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)cc(OC)c1OC ZINC000001210832 209314497 /nfs/dbraw/zinc/31/44/97/209314497.db2.gz QLCIOGTYGQXGSC-UKTHLTGXSA-N -1 0 397.474 2.778 50 10 GFCARM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)ccc1OCc1ccc(F)cc1 ZINC000001202022 209312959 /nfs/dbraw/zinc/31/29/59/209312959.db2.gz AVHZSAHVISLZLJ-MHWRWJLKSA-N -1 0 398.390 2.895 50 10 GFCARM CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000100257880 211384423 /nfs/dbraw/zinc/38/44/23/211384423.db2.gz OCPLRNVMPPRMSM-QGOAFFKASA-N -1 0 384.461 2.655 50 10 GFCARM O=C([O-])CCC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@@H]1c1ccccc1O ZINC000080316294 211157843 /nfs/dbraw/zinc/15/78/43/211157843.db2.gz LVGBRZJEZFPQRT-OAHLLOKOSA-N -1 0 382.372 2.663 50 10 GFCARM COCCN1C(=O)C(=Cc2c(C)[n-]n(-c3ccccc3)c2=O)SC1=S ZINC000005677905 551098327 /nfs/dbraw/zinc/09/83/27/551098327.db2.gz PXFZJSXNFPFWNJ-GXDHUFHOSA-N -1 0 375.475 2.734 50 10 GFCARM COc1ccc(N2C(=O)/C(=C\c3ccc(O)c(Cl)c3)C(=O)[N-]C2=S)cc1 ZINC000004456497 570375608 /nfs/dbraw/zinc/37/56/08/570375608.db2.gz IDLULTIPJUYYDX-JYRVWZFOSA-N -1 0 388.832 2.886 50 10 GFCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C(=O)OC)cc3)C2=O)cc1 ZINC000005023699 570424683 /nfs/dbraw/zinc/42/46/83/570424683.db2.gz XHQKFZQAAZTGGO-ATVHPVEESA-N -1 0 394.383 2.538 50 10 GFCARM CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000006562964 570478665 /nfs/dbraw/zinc/47/86/65/570478665.db2.gz XLLXIGVGFGMZDM-YBEGLDIGSA-N -1 0 398.806 2.877 50 10 GFCARM CCOC(=O)C[C@@H](c1cc(O)c(O)c(OC)c1)c1c([O-])c2ccccc2[nH]c1=O ZINC000072326285 570673847 /nfs/dbraw/zinc/67/38/47/570673847.db2.gz LQQKJRKOPAJQEP-ZDUSSCGKSA-N -1 0 399.399 2.739 50 10 GFCARM CCOC(=O)C[C@H](c1cc(O)c(O)c(OC)c1)c1c([O-])c2ccccc2[nH]c1=O ZINC000072326287 570674033 /nfs/dbraw/zinc/67/40/33/570674033.db2.gz LQQKJRKOPAJQEP-CYBMUJFWSA-N -1 0 399.399 2.739 50 10 GFCARM CCOc1cc2c(cc1/C=C1\SC(=S)N(CC(=O)[O-])C1=O)O[C@@H](C)C2 ZINC000006625664 654456946 /nfs/dbraw/zinc/45/69/46/654456946.db2.gz WASNYOKAAQVGLW-VUPJLDGMSA-N -1 0 379.459 2.695 50 10 GFCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc1[N+](=O)[O-] ZINC000013570529 210068666 /nfs/dbraw/zinc/06/86/66/210068666.db2.gz STFNUNQVEGMSCG-NTEUORMPSA-N -1 0 395.371 2.887 50 10 GFCARM C[C@@H](CCc1ccccc1)NC=C1C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O ZINC000002450028 209364979 /nfs/dbraw/zinc/36/49/79/209364979.db2.gz QTKGCUBWZSQFGV-RAOBZKRQSA-N -1 0 381.407 2.903 50 10 GFCARM O=C([N-]N1C(=O)/C(=C/c2cccnc2)SC1=S)c1ccccc1[N+](=O)[O-] ZINC000001805386 209340068 /nfs/dbraw/zinc/34/00/68/209340068.db2.gz MOTZNGPUSNBKRA-JYRVWZFOSA-N -1 0 386.414 2.536 50 10 GFCARM O=C1/C(=C\c2ccccc2)SC(=S)N1[N-]S(=O)(=O)c1ccccc1 ZINC000001231002 209316356 /nfs/dbraw/zinc/31/63/56/209316356.db2.gz YMWXQEPXNNIXDH-SDNWHVSQSA-N -1 0 376.484 2.781 50 10 GFCARM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000000986682 209286090 /nfs/dbraw/zinc/28/60/90/209286090.db2.gz LMMYOOUOZBAAPX-NTEUORMPSA-N -1 0 386.404 2.674 50 10 GFCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=CNN1CCCCC1 ZINC000009329800 209265624 /nfs/dbraw/zinc/26/56/24/209265624.db2.gz WZYAPVMEPMHQGE-JLHYYAGUSA-N -1 0 393.241 2.747 50 10 GFCARM CCOc1cccc(N2C(=O)/C(=C/c3ccccc3OC)C(=O)[N-]C2=S)c1 ZINC000001203327 136196155 /nfs/dbraw/zinc/19/61/55/136196155.db2.gz DHWFXKHPMQLHDI-LFIBNONCSA-N -1 0 382.441 2.925 50 10 GFCARM COc1cc(OC)nc(N=C(C)c2c(C)[n-]n(-c3ccc([N+](=O)[O-])cc3)c2=O)n1 ZINC000101624232 570284222 /nfs/dbraw/zinc/28/42/22/570284222.db2.gz HEOYGEAINHBUFX-MHWRWJLKSA-N -1 0 398.379 2.511 50 10 GFCARM O=C([O-])CN1C(=O)/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000004909442 570361998 /nfs/dbraw/zinc/36/19/98/570361998.db2.gz DTLQAGAZZWYPAR-JYRVWZFOSA-N -1 0 389.414 2.671 50 10 GFCARM COc1cc(/C=C2/SC(=S)N([C@H](CCSC)C(=O)[O-])C2=O)ccc1O ZINC000001833463 570436735 /nfs/dbraw/zinc/43/67/35/570436735.db2.gz FYTQPPXGEPQUDL-SEEODLKFSA-N -1 0 399.515 2.808 50 10 GFCARM COc1ccc(N(CC(=O)[O-])CC(=O)NCc2ccccc2C(F)(F)F)cc1 ZINC000034926481 570548146 /nfs/dbraw/zinc/54/81/46/570548146.db2.gz ZUXVZYVZGAPOOA-UHFFFAOYSA-N -1 0 396.365 2.921 50 10 GFCARM COCc1nc2cc([N-]S(=O)(=O)c3cccc4nsnc43)ccc2[nH]1 ZINC000044902950 570982428 /nfs/dbraw/zinc/98/24/28/570982428.db2.gz OTFMVEWEBXFKKO-UHFFFAOYSA-N -1 0 375.435 2.515 50 10 GFCARM Cc1nn(C)cc1/C=C1/SC(=S)N([C@H](Cc2ccccc2)C(=O)[O-])C1=O ZINC000002807812 209388838 /nfs/dbraw/zinc/38/88/38/209388838.db2.gz MMAUACRKCVCFGA-UWZYDCLUSA-N -1 0 387.486 2.626 50 10 GFCARM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1c[nH]c2ccccc12 ZINC000002368956 209359541 /nfs/dbraw/zinc/35/95/41/209359541.db2.gz FMZSNVKIJSGQQY-VGOFMYFVSA-N -1 0 375.340 2.767 50 10 GFCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(OC)c1OC ZINC000001066965 209295272 /nfs/dbraw/zinc/29/52/72/209295272.db2.gz LOFKCNDPUVIMFL-RVDMUPIBSA-N -1 0 396.399 2.687 50 10 GFCARM CC(C)CCCNC=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000019595268 210274882 /nfs/dbraw/zinc/27/48/82/210274882.db2.gz ZOTMDUYVSYCXFB-UVTDQMKNSA-N -1 0 394.269 2.942 50 10 GFCARM CCOc1ccc(N2C(=O)/C(=C\c3ccccc3OC)C(=O)[N-]C2=S)cc1 ZINC000004471298 570376334 /nfs/dbraw/zinc/37/63/34/570376334.db2.gz QIAXZRLQRJHFET-VBKFSLOCSA-N -1 0 382.441 2.925 50 10 GFCARM Cc1cc(C)n(Cc2ccc([N-]S(=O)(=O)c3cccc4nonc43)cc2)n1 ZINC000006502352 570459825 /nfs/dbraw/zinc/45/98/25/570459825.db2.gz JQBDSXVJZXYUOB-UHFFFAOYSA-N -1 0 383.433 2.885 50 10 GFCARM Cn1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21 ZINC000009111426 570549750 /nfs/dbraw/zinc/54/97/50/570549750.db2.gz LEBNIOFSBCYTDH-OVCLIPMQSA-N -1 0 389.367 2.573 50 10 GFCARM O=C(NN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S)c1ccncc1 ZINC000002529331 209367646 /nfs/dbraw/zinc/36/76/46/209367646.db2.gz SOMHQKDZPNHHCS-UKTHLTGXSA-N -1 0 386.414 2.536 50 10 GFCARM COc1ccc(N(CC(=O)[O-])CC(=O)NCc2ccc(C(F)(F)F)cc2)cc1 ZINC000034926483 210675090 /nfs/dbraw/zinc/67/50/90/210675090.db2.gz TUNZVOCTOSDFGC-UHFFFAOYSA-N -1 0 396.365 2.921 50 10 GFCARM O=C([O-])CCCN1C(=O)[C@H](CCCCNC(=O)c2ccccc2)SC1=S ZINC000032594727 210577735 /nfs/dbraw/zinc/57/77/35/210577735.db2.gz NODFFVOGFUYTBT-AWEZNQCLSA-N -1 0 394.518 2.680 50 10 GFCARM CCCOc1c(Br)cc(C=C2C(=O)[N-]C(=O)NC2=O)cc1OC ZINC000027532007 551122975 /nfs/dbraw/zinc/12/29/75/551122975.db2.gz YZJNVYRIOPBMDQ-UHFFFAOYSA-N -1 0 383.198 2.836 50 10 GFCARM Cc1ccc(N2[N-]C(=O)/C(=C/c3cc([N+](=O)[O-])ccc3N(C)C)C2=O)cc1C ZINC000005034438 570425212 /nfs/dbraw/zinc/42/52/12/570425212.db2.gz CLELPEKJXNGROY-BOPFTXTBSA-N -1 0 380.404 2.739 50 10 GFCARM CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=O)N(C3CCCCCC3)C2=O)cc1 ZINC000006614542 570504557 /nfs/dbraw/zinc/50/45/57/570504557.db2.gz PQARNAAXDQNNOG-SFQUDFHCSA-N -1 0 384.436 2.742 50 10 GFCARM CCN(CC)c1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000009186594 570550905 /nfs/dbraw/zinc/55/09/05/570550905.db2.gz QBWZJDXZTUELID-FNORWQNLSA-N -1 0 375.341 2.721 50 10 GFCARM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)ccc1O ZINC000015012883 210143391 /nfs/dbraw/zinc/14/33/91/210143391.db2.gz UYGMFTYPJJDGFZ-JYRVWZFOSA-N -1 0 388.832 2.886 50 10 GFCARM O=C([O-])c1ccccc1NC(=O)CN1C(=O)/C(=C\c2ccco2)SC1=S ZINC000004484389 209490232 /nfs/dbraw/zinc/49/02/32/209490232.db2.gz JZXXGCNDVUHYSM-MDWZMJQESA-N -1 0 388.426 2.818 50 10 GFCARM O=C([O-])c1cc(O)ccc1NC(=O)c1ccccc1I ZINC000005092309 551096554 /nfs/dbraw/zinc/09/65/54/551096554.db2.gz DIWDOWSYVLWDJN-UHFFFAOYSA-N -1 0 383.141 2.947 50 10 GFCARM O=C1[N-]N(c2ccc(I)cc2)C(=O)/C1=C\c1ccccc1 ZINC000000726017 570221074 /nfs/dbraw/zinc/22/10/74/570221074.db2.gz KAGAMCCGZCDKMX-UVTDQMKNSA-N -1 0 390.180 2.753 50 10 in-vivo GFCARM O=C1c2ccccc2N[C@@H](c2ccccc2O)N1[N-]S(=O)(=O)c1ccccc1 ZINC000003641456 570349357 /nfs/dbraw/zinc/34/93/57/570349357.db2.gz GIYRAABRQVVESI-LJQANCHMSA-N -1 0 395.440 2.852 50 10 GFCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000005900741 570802678 /nfs/dbraw/zinc/80/26/78/570802678.db2.gz TVLDJJYDFXJKOT-FMIVXFBMSA-N -1 0 386.751 2.827 50 10 GFCARM COc1ccc(OC)c(N=Nc2c(NC(C)=O)[n-]n(-c3ccccc3)c2=O)c1 ZINC000102148458 570842164 /nfs/dbraw/zinc/84/21/64/570842164.db2.gz BTOUSRCXBACHDZ-BFQBXFRASA-N -1 0 381.392 2.653 50 10 GFCARM CC(NCCC(=O)[O-])=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000017919715 210211872 /nfs/dbraw/zinc/21/18/72/210211872.db2.gz HOBMVRUTLDDWPM-XYOKQWHBSA-N -1 0 398.366 2.900 50 10 GFCARM COc1ccc(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 ZINC000002738464 209381094 /nfs/dbraw/zinc/38/10/94/209381094.db2.gz MIIFFQOBNQVSTK-JTQLQIEISA-N -1 0 380.491 2.781 50 10 GFCARM O=C([O-])c1ccc(NC=C2C(=O)NC(=S)N(CCC3=CCCCC3)C2=O)cc1 ZINC000002387100 209359792 /nfs/dbraw/zinc/35/97/92/209359792.db2.gz ZRBNETSQZNPWKZ-FOWTUZBSSA-N -1 0 399.472 2.814 50 10 GFCARM O=C([O-])c1ccccc1-c1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)o1 ZINC000002224310 209351322 /nfs/dbraw/zinc/35/13/22/209351322.db2.gz UIJYAYBGLADYJX-LFIBNONCSA-N -1 0 384.413 2.947 50 10 GFCARM CCN1C(=O)[N-]C(=O)C(=Cc2cn(CC(=O)N3CCCC3)c3ccccc23)C1=O ZINC000002065561 209344514 /nfs/dbraw/zinc/34/45/14/209344514.db2.gz LPDBIOGPMUQNLY-LFIBNONCSA-N -1 0 394.431 2.586 50 10 GFCARM CN1C(=O)c2cccc3c2c1ccc3S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000000816439 209269026 /nfs/dbraw/zinc/26/90/26/209269026.db2.gz DDWCKPWDWRYYLJ-UHFFFAOYSA-N -1 0 398.396 2.634 50 10 GFCARM COC(=O)c1cccc(S(=O)(=O)Nc2c(F)c(F)c([O-])c(F)c2F)c1 ZINC000089406955 211179593 /nfs/dbraw/zinc/17/95/93/211179593.db2.gz GGIAPRLBCNHYAJ-UHFFFAOYSA-N -1 0 379.287 2.536 50 10 GFCARM O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)C1=Cc1ccc2c(c1)OCO2 ZINC000004819334 136196731 /nfs/dbraw/zinc/19/67/31/136196731.db2.gz PZJKWYGGAJKWSI-NTUHNPAUSA-N -1 0 381.300 2.830 50 10 GFCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])s1 ZINC000004815031 551094932 /nfs/dbraw/zinc/09/49/32/551094932.db2.gz AYWISJSZQITMBR-XFFZJAGNSA-N -1 0 377.765 2.976 50 10 GFCARM Cn1c(=O)c(C2=NNC(=O)C2=Cc2cccc(Cl)c2)c([O-])c2ccccc21 ZINC000100260927 570346735 /nfs/dbraw/zinc/34/67/35/570346735.db2.gz JBRRATZUUZJVTM-GXDHUFHOSA-N -1 0 379.803 2.815 50 10 GFCARM COc1ccccc1N1C(=O)C(=Cc2nc3ccccc3[nH]2)C(=O)[N-]C1=S ZINC000006786963 570592542 /nfs/dbraw/zinc/59/25/42/570592542.db2.gz CLGQFIBPWTUSRP-KHPPLWFESA-N -1 0 378.413 2.814 50 10 GFCARM COc1ccc(CNC=C2C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000005886064 570801286 /nfs/dbraw/zinc/80/12/86/570801286.db2.gz BOHAETQOLIEEIU-PDGQHHTCSA-N -1 0 395.484 2.733 50 10 GFCARM CCOC(=O)C1=C(c2ccccc2)N(C)C(=O)N[C@@H]1c1cc([N+](=O)[O-])ccc1[O-] ZINC000012560780 570864585 /nfs/dbraw/zinc/86/45/85/570864585.db2.gz NKBLDYPSPROROV-QGZVFWFLSA-N -1 0 397.387 2.971 50 10 GFCARM O=C([O-])[C@H](Cc1ccccc1)[NH2+]Cc1c([O-])ccc2c3c(c(=O)oc21)CCC3 ZINC000004026724 570907449 /nfs/dbraw/zinc/90/74/49/570907449.db2.gz TTXWLMKRBQMGGH-SFHVURJKSA-N -1 0 379.412 2.773 50 10 GFCARM CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S ZINC000004291575 654443871 /nfs/dbraw/zinc/44/38/71/654443871.db2.gz DPIGCYQKZMMNID-LPJIALBHSA-N -1 0 376.459 2.854 50 10 GFCARM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cccn1Cc1ccc(F)cc1 ZINC000013550204 210066672 /nfs/dbraw/zinc/06/66/72/210066672.db2.gz SELZHLXGIKFAJM-WOJGMQOQSA-N -1 0 393.374 2.931 50 10 GFCARM CC(C)C[C@@H](C(=O)[O-])N1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S ZINC000001227091 209316416 /nfs/dbraw/zinc/31/64/16/209316416.db2.gz DMMNATWUZUXCKV-IBPBOOLHSA-N -1 0 376.459 2.709 50 10 GFCARM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(OC)c1OC ZINC000001197476 209313758 /nfs/dbraw/zinc/31/37/58/209313758.db2.gz HSIYTTYKFYMTCH-SDNWHVSQSA-N -1 0 398.440 2.544 50 10 GFCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/N1CCc2ccccc2C1 ZINC000001163047 209308440 /nfs/dbraw/zinc/30/84/40/209308440.db2.gz VYAOLVMLSSUZCG-NTCAYCPXSA-N -1 0 381.432 2.516 50 10 GFCARM COc1cccc(C=C2C(=O)[N-]C(=O)NC2=O)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000001135831 209305417 /nfs/dbraw/zinc/30/54/17/209305417.db2.gz UZOLJCBMZNLASF-UHFFFAOYSA-N -1 0 397.343 2.772 50 10 GFCARM COc1cc(OC)c(/C=C2\C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c(OC)c1 ZINC000001067497 209295136 /nfs/dbraw/zinc/29/51/36/209295136.db2.gz PBTCECSCOODZIX-RVDMUPIBSA-N -1 0 388.420 2.507 50 10 GFCARM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N(C)C)cc2)C1=O ZINC000005103239 136196686 /nfs/dbraw/zinc/19/66/86/136196686.db2.gz OEOOGFGTJPXQHT-SSZFMOIBSA-N -1 0 379.416 2.818 50 10 GFCARM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)ccc1O ZINC000000759161 521964465 /nfs/dbraw/zinc/96/44/65/521964465.db2.gz OBACNVJMQQXDMU-NTUHNPAUSA-N -1 0 388.832 2.886 50 10 GFCARM COc1cccc(N2C(=O)[N-]C(=O)C(=CN3CCCc4ccccc43)C2=O)c1 ZINC000005529839 570627005 /nfs/dbraw/zinc/62/70/05/570627005.db2.gz WYXSJEIBBPRJPS-GHRIWEEISA-N -1 0 377.400 2.615 50 10 GFCARM COC(=O)c1ccc(/C=C2\SC(=S)N([C@@H](C(=O)[O-])C(C)C)C2=O)cc1 ZINC000001236406 212232519 /nfs/dbraw/zinc/23/25/19/212232519.db2.gz HWEKDGAYBHWPNY-LLBKUYECSA-N -1 0 379.459 2.784 50 10 GFCARM CC(=O)n1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c(-c2ccc(F)cc2)n1 ZINC000001083594 212215629 /nfs/dbraw/zinc/21/56/29/212215629.db2.gz CSPZJGTVAAONIY-WOJGMQOQSA-N -1 0 390.374 2.811 50 10 GFCARM CCN(CC)c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)o1 ZINC000000876140 212192255 /nfs/dbraw/zinc/19/22/55/212192255.db2.gz RLDLIZZXZODLLL-VBKFSLOCSA-N -1 0 383.404 2.801 50 10 GFCARM COc1cc(/C=C2/C(=O)[N-]N(c3ccc(C)c(C)c3)C2=O)c([N+](=O)[O-])cc1OC ZINC000016671238 221367267 /nfs/dbraw/zinc/36/72/67/221367267.db2.gz NROYOGFUUAKRBH-NVNXTCNLSA-N -1 0 397.387 2.690 50 10 GFCARM O=C1[N-]C(=O)N(CCc2ccc(F)cc2)C(=O)C1=Cc1nc2ccccc2[nH]1 ZINC000017124540 221379360 /nfs/dbraw/zinc/37/93/60/221379360.db2.gz PGXKRPQEAYGRMH-KAMYIIQDSA-N -1 0 378.363 2.611 50 10 GFCARM COC(=O)c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000004819598 536603463 /nfs/dbraw/zinc/60/34/63/536603463.db2.gz GBPZQBCVRRVIAP-XNTDXEJSSA-N -1 0 395.327 2.888 50 10 GFCARM COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1ccccc1Cl ZINC000002902543 570317755 /nfs/dbraw/zinc/31/77/55/570317755.db2.gz JSCUOYXQXGJGJZ-UHFFFAOYSA-N -1 0 386.791 2.677 50 10 GFCARM CN1C(=O)C(=Cc2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C(=O)N(C)C1=O ZINC000004704647 570395680 /nfs/dbraw/zinc/39/56/80/570395680.db2.gz RZFBKLDJSRWSKC-UHFFFAOYSA-N -1 0 388.763 2.732 50 10 GFCARM COc1ccc(OC)c(N=Nc2c(NC(C)=O)[n-]n(-c3ccccc3)c2=O)c1 ZINC000097963971 570773687 /nfs/dbraw/zinc/77/36/87/570773687.db2.gz BTOUSRCXBACHDZ-SIUCFOQUSA-N -1 0 381.392 2.653 50 10 GFCARM COc1ccc(Cl)cc1N=Cc1c(C)[n-]n(-c2ccc3nncn3n2)c1=O ZINC000101641477 570827673 /nfs/dbraw/zinc/82/76/73/570827673.db2.gz DGRFMWZRRVVIKA-XYOKQWHBSA-N -1 0 383.799 2.505 50 10 GFCARM O=C([O-])CCNc1cc(N2CCOCC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000004687094 570831636 /nfs/dbraw/zinc/83/16/36/570831636.db2.gz YKJZIYZDQFBULM-UHFFFAOYSA-N -1 0 393.399 2.762 50 10 GFCARM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(Br)o1 ZINC000001164031 654435495 /nfs/dbraw/zinc/43/54/95/654435495.db2.gz GNFDNZHCHIHQKM-XYOKQWHBSA-N -1 0 375.178 2.704 50 10 GFCARM O=C([O-])CCCCCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S ZINC000001749052 212255737 /nfs/dbraw/zinc/25/57/37/212255737.db2.gz FNMNNCNYRVYYJS-YPKPFQOOSA-N -1 0 376.459 2.855 50 10 GFCARM COc1cc(/C=C2\C(=O)[N-]N(c3ccc(Br)cc3)C2=O)ccc1O ZINC000000725150 212177900 /nfs/dbraw/zinc/17/79/00/212177900.db2.gz CLZGHEMQFJXGFQ-MDWZMJQESA-N -1 0 389.205 2.625 50 10 GFCARM CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S ZINC000004291574 220701452 /nfs/dbraw/zinc/70/14/52/220701452.db2.gz DPIGCYQKZMMNID-IBPBOOLHSA-N -1 0 376.459 2.854 50 10 GFCARM COc1ccc(Br)cc1/C=C1\SC(=S)N(CC(=O)[O-])C1=O ZINC000013343666 221265937 /nfs/dbraw/zinc/26/59/37/221265937.db2.gz NVMMQRIEVFYEDT-YHYXMXQVSA-N -1 0 388.264 2.744 50 10 GFCARM O=C([O-])CN1C(=O)/C(=C\c2cnn(Cc3ccccc3Cl)c2)SC1=S ZINC000013269134 221263919 /nfs/dbraw/zinc/26/39/19/221263919.db2.gz LFDPZJWFHCUSCN-WLRTZDKTSA-N -1 0 393.877 2.871 50 10 GFCARM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)o1 ZINC000013424407 136200974 /nfs/dbraw/zinc/20/09/74/136200974.db2.gz NQCZIZJQKVBPSM-GXDHUFHOSA-N -1 0 397.387 2.521 50 10 GFCARM Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000100525364 222460235 /nfs/dbraw/zinc/46/02/35/222460235.db2.gz KOAXTNKKEUXCCW-BNCXAUQFSA-N -1 0 375.197 2.816 50 10 GFCARM C[C@@H]1CC[C@](C(N)=O)(c2c([O-])n(-c3ccccc3)n(-c3ccccc3)c2=O)C1 ZINC000101172637 222469435 /nfs/dbraw/zinc/46/94/35/222469435.db2.gz DMABCDOEBFJPEP-IVZQSRNASA-N -1 0 377.444 2.889 50 10 GFCARM COC(=O)c1cc(N=Cc2c(C)[n-]n(-c3ccccc3)c2=O)cc(C(=O)OC)c1 ZINC000006366405 570545895 /nfs/dbraw/zinc/54/58/95/570545895.db2.gz WXVMIBJWMBRTJM-PDGQHHTCSA-N -1 0 393.399 2.978 50 10 GFCARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1[N+](=O)[O-] ZINC000101346769 570820973 /nfs/dbraw/zinc/82/09/73/570820973.db2.gz VLNVQSCPPZVTRG-WQLSENKSSA-N -1 0 396.338 2.622 50 10 GFCARM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c(OC)c1 ZINC000004682260 570828970 /nfs/dbraw/zinc/82/89/70/570828970.db2.gz UZIYBHIKNPOVEA-GZTJUZNOSA-N -1 0 394.431 2.603 50 10 GFCARM O=C([N-]N1C(=O)/C(=C/c2ccncc2)SC1=S)c1ccccc1[N+](=O)[O-] ZINC000001826705 212257245 /nfs/dbraw/zinc/25/72/45/212257245.db2.gz MRGHGHVEQMXTDF-LCYFTJDESA-N -1 0 386.414 2.536 50 10 GFCARM CS(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000010112124 221097617 /nfs/dbraw/zinc/09/76/17/221097617.db2.gz ZZPNJNVQYPUZNQ-UHFFFAOYSA-N -1 0 387.505 2.978 50 10 GFCARM CC(=Nc1ccc(S(N)(=O)=O)cc1)c1c(C)[n-]n(-c2ccc(F)cc2)c1=O ZINC000013532721 221272114 /nfs/dbraw/zinc/27/21/14/221272114.db2.gz VTGYTOVMLPLDGT-GZTJUZNOSA-N -1 0 388.424 2.582 50 10 GFCARM COc1ccc(OC)c(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)c1 ZINC000013570397 221274933 /nfs/dbraw/zinc/27/49/33/221274933.db2.gz DHDSSTPGSFFDOL-LFIBNONCSA-N -1 0 380.400 2.987 50 10 GFCARM Cc1cc(=O)oc2c1cc(Cl)c([O-])c2CN1CCN(C(=O)C2CC2)CC1 ZINC000014159235 221300818 /nfs/dbraw/zinc/30/08/18/221300818.db2.gz WZDKWWUEDIGIIP-UHFFFAOYSA-N -1 0 376.840 2.515 50 10 GFCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cccc(I)c1 ZINC000016488400 221364112 /nfs/dbraw/zinc/36/41/12/221364112.db2.gz JAGUDTQMBCOXJX-UVTDQMKNSA-N -1 0 390.180 2.753 50 10 GFCARM Cc1cc(C)cc(N2C(=O)C(=CNCCc3ccccc3)C(=O)[N-]C2=S)c1 ZINC000101184202 136196121 /nfs/dbraw/zinc/19/61/21/136196121.db2.gz JZTWTWZSWPYUDT-QGOAFFKASA-N -1 0 379.485 2.767 50 10 GFCARM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)ccc1O ZINC000008994350 535659189 /nfs/dbraw/zinc/65/91/89/535659189.db2.gz NUFDWCDIBRIVOG-GDNBJRDFSA-N -1 0 382.372 2.670 50 10 GFCARM O=C1/C(=C\c2cccs2)SC(=S)N1[N-]S(=O)(=O)c1ccccc1 ZINC000006139418 570276571 /nfs/dbraw/zinc/27/65/71/570276571.db2.gz VWAZCVPSBKHJKM-FMIVXFBMSA-N -1 0 382.513 2.843 50 10 GFCARM COc1ccc(CNC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000002892806 570317281 /nfs/dbraw/zinc/31/72/81/570317281.db2.gz ZCHGAAANPBFJLI-WJDWOHSUSA-N -1 0 385.807 2.605 50 10 GFCARM CCOC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000005564702 570446280 /nfs/dbraw/zinc/44/62/80/570446280.db2.gz UYPOCOXBZCVZCH-ATVHPVEESA-N -1 0 393.399 2.751 50 10 GFCARM COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000003097631 570503417 /nfs/dbraw/zinc/50/34/17/570503417.db2.gz SLZZFYSMCUJPDQ-UHFFFAOYSA-N -1 0 397.343 2.772 50 10 GFCARM O=C([O-])CN1C(=O)/C(=C/c2cccc(OC(=O)c3ccco3)c2)SC1=S ZINC000002904627 570521704 /nfs/dbraw/zinc/52/17/04/570521704.db2.gz XASBEHKDPVRWHX-JYRVWZFOSA-N -1 0 389.410 2.785 50 10 GFCARM COc1ccc(N=Nc2c(NC(C)=O)[n-]n(-c3ccccc3)c2=O)c(OC)c1 ZINC000097963972 570893873 /nfs/dbraw/zinc/89/38/73/570893873.db2.gz KWBDIRGVDWYZIQ-SIUCFOQUSA-N -1 0 381.392 2.653 50 10 GFCARM CN(C)c1ccc(/C=C2/C(=O)[N-]N(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-] ZINC000032109814 570961315 /nfs/dbraw/zinc/96/13/15/570961315.db2.gz UMQPKRNOZUUTGA-ZROIWOOFSA-N -1 0 386.795 2.776 50 10 GFCARM CN(C1=NC(=O)/C(=C/c2ccccc2OCC(=O)[O-])S1)c1ccc(O)cc1 ZINC000001470448 212247075 /nfs/dbraw/zinc/24/70/75/212247075.db2.gz HVXVIULBHOMLIR-YBEGLDIGSA-N -1 0 384.413 2.962 50 10 GFCARM COc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c1OC ZINC000014011106 221296075 /nfs/dbraw/zinc/29/60/75/221296075.db2.gz LKOWKRGNVUVOMH-WJDWOHSUSA-N -1 0 380.400 2.987 50 10 GFCARM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3OC)C2=O)ccc1O ZINC000017086547 221379945 /nfs/dbraw/zinc/37/99/45/221379945.db2.gz WRDNTSSLVDUWGW-RAXLEYEMSA-N -1 0 398.440 2.631 50 10 GFCARM O=C([O-])CCCN1C(=O)[C@@H](CCCCNC(=O)c2ccccc2)SC1=S ZINC000032594726 221724444 /nfs/dbraw/zinc/72/44/44/221724444.db2.gz NODFFVOGFUYTBT-CQSZACIVSA-N -1 0 394.518 2.680 50 10 GFCARM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1cccn1Cc1ccccc1F ZINC000005024607 570399186 /nfs/dbraw/zinc/39/91/86/570399186.db2.gz IRZWBSFVDXWTFQ-BOPFTXTBSA-N -1 0 393.374 2.931 50 10 GFCARM CN(C)c1ccc(/C=C2\C(=O)[N-]N(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-] ZINC000004455976 570785077 /nfs/dbraw/zinc/78/50/77/570785077.db2.gz UMQPKRNOZUUTGA-NTEUORMPSA-N -1 0 386.795 2.776 50 10 GFCARM O=C1/C(=C/c2c(F)cccc2Cl)SC(=S)N1CCS(=O)(=O)[O-] ZINC000005372348 220863217 /nfs/dbraw/zinc/86/32/17/220863217.db2.gz JHLUPXHCIYIEKB-POHAHGRESA-N -1 0 381.859 2.568 50 10 GFCARM C[C@H](CCc1ccccc1)NC=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000008243682 221032852 /nfs/dbraw/zinc/03/28/52/221032852.db2.gz GMGQCBGFLHBXEV-NISQSXRWSA-N -1 0 377.444 2.760 50 10 GFCARM Cc1ccc(-n2cc(/C=C3/C(=O)[N-]C(=O)N(C4CCCCC4)C3=O)cn2)cc1 ZINC000016225571 221359471 /nfs/dbraw/zinc/35/94/71/221359471.db2.gz RWHWUCHHBDILDQ-WQRHYEAKSA-N -1 0 378.432 2.975 50 10 GFCARM CCOc1ccc(N2C(=O)/C(=C/c3ccc(O)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000005060854 570409280 /nfs/dbraw/zinc/40/92/80/570409280.db2.gz ZFQVSNMMTDUXNP-XNTDXEJSSA-N -1 0 398.440 2.631 50 10 GFCARM COC(=O)c1cccc(NC=C2C(=O)[N-]C(=O)N(CCC3=CCCCC3)C2=O)c1 ZINC000005490107 570614277 /nfs/dbraw/zinc/61/42/77/570614277.db2.gz SNARSAMUEUQURT-LGMDPLHJSA-N -1 0 397.431 2.738 50 10 GFCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(NC(C)=O)cc3)C2=O)cc1 ZINC000006830185 570628671 /nfs/dbraw/zinc/62/86/71/570628671.db2.gz KPHQKEPZUIASCH-PDGQHHTCSA-N -1 0 392.415 2.786 50 10 GFCARM COc1ccc(N=Nc2c(NC(C)=O)[n-]n(-c3ccccc3)c2=O)c(OC)c1 ZINC000102148474 570842123 /nfs/dbraw/zinc/84/21/23/570842123.db2.gz KWBDIRGVDWYZIQ-BFQBXFRASA-N -1 0 381.392 2.653 50 10 GFCARM COc1ccc(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 ZINC000004529196 570843803 /nfs/dbraw/zinc/84/38/03/570843803.db2.gz MIIFFQOBNQVSTK-SNVBAGLBSA-N -1 0 380.491 2.781 50 10 GFCARM O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1cccc(O)c1 ZINC000004893427 220784670 /nfs/dbraw/zinc/78/46/70/220784670.db2.gz IQGTVTJMQZJBBQ-RIYZIHGNSA-N -1 0 387.189 2.821 50 10 GFCARM CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000096454152 136187049 /nfs/dbraw/zinc/18/70/49/136187049.db2.gz AWLQSHOBLPKVGW-WOJGMQOQSA-N -1 0 392.415 2.841 50 10 GFCARM CC(=O)Nc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000101072781 136196288 /nfs/dbraw/zinc/19/62/88/136196288.db2.gz ZNRYISHCNXFTFM-LFIBNONCSA-N -1 0 392.415 2.841 50 10 GFCARM Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000252617190 553150414 /nfs/dbraw/zinc/15/04/14/553150414.db2.gz KOAXTNKKEUXCCW-MRVPVSSYSA-N -1 0 375.197 2.816 50 10 GFCARM Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000100525361 570272969 /nfs/dbraw/zinc/27/29/69/570272969.db2.gz KOAXTNKKEUXCCW-AOHYOPMHSA-N -1 0 375.197 2.816 50 10 GFCARM O=C([O-])CN1C(=O)/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)SC1=S ZINC000002990832 570323583 /nfs/dbraw/zinc/32/35/83/570323583.db2.gz BDYOIRNCIOZFRL-MDWZMJQESA-N -1 0 389.414 2.671 50 10 GFCARM CCN(CC)c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)o1 ZINC000000874176 212191037 /nfs/dbraw/zinc/19/10/37/212191037.db2.gz NQCZIZJQKVBPSM-UVTDQMKNSA-N -1 0 397.387 2.521 50 10 GFCARM NC(=O)c1ccc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccc(F)cc4)C3=O)o2)cc1 ZINC000017146115 221379287 /nfs/dbraw/zinc/37/92/87/221379287.db2.gz QFFRHAQPKIJJQN-BOPFTXTBSA-N -1 0 391.358 2.646 50 10 GFCARM CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000018203099 221389726 /nfs/dbraw/zinc/38/97/26/221389726.db2.gz YXYBIQUIEXHUQH-MHWRWJLKSA-N -1 0 398.806 2.877 50 10 GFCARM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=CNC12CC3CC(CC(C3)C1)C2 ZINC000020791035 570280637 /nfs/dbraw/zinc/28/06/37/570280637.db2.gz LDVVPZDRFQDAML-PDGQHHTCSA-N -1 0 379.460 2.707 50 10 GFCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(N2CCCC2)o1 ZINC000004472012 570376304 /nfs/dbraw/zinc/37/63/04/570376304.db2.gz YVAMCGRBDZHXFL-PTNGSMBKSA-N -1 0 385.420 2.850 50 10 GFCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCCC4)o3)C2=O)cc1 ZINC000004704541 570395653 /nfs/dbraw/zinc/39/56/53/570395653.db2.gz ZMFKZWBIEWWXEB-LGMDPLHJSA-N -1 0 395.415 2.945 50 10 GFCARM COc1cc(/C=C2/SC(=S)N([C@@H](C(=O)[O-])C(C)C)C2=O)cc(OC)c1O ZINC000026771505 570428593 /nfs/dbraw/zinc/42/85/93/570428593.db2.gz NBMMKPSIDCKDHT-BWODNOAJSA-N -1 0 397.474 2.720 50 10 GFCARM Cc1c(/C=C2\SC(=S)N([C@H](Cc3ccccc3)C(=O)[O-])C2=O)cnn1C ZINC000002806550 570516439 /nfs/dbraw/zinc/51/64/39/570516439.db2.gz RKFKQQBOGBVKJP-WJQTUHTMSA-N -1 0 387.486 2.626 50 10 GFCARM CCc1cc(C)cc(OCCOc2cccc(C=C3C(=O)[N-]C(=O)NC3=O)c2)c1 ZINC000002947785 570523217 /nfs/dbraw/zinc/52/32/17/570523217.db2.gz NTTJYZMLLIJBSR-UHFFFAOYSA-N -1 0 394.427 2.765 50 10 GFCARM O=C1[N-]C(=O)C(=Cc2ccccc2OCCOc2ccc([N+](=O)[O-])cc2)C(=O)N1 ZINC000003001844 570527331 /nfs/dbraw/zinc/52/73/31/570527331.db2.gz BHFAJVAGGJLGJJ-UHFFFAOYSA-N -1 0 397.343 2.642 50 10 GFCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cccc(I)c1 ZINC000006927525 570708094 /nfs/dbraw/zinc/70/80/94/570708094.db2.gz JAGUDTQMBCOXJX-GXDHUFHOSA-N -1 0 390.180 2.753 50 10 GFCARM CC(C)(C)c1ccc(C(=O)Oc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2)cc1 ZINC000001121343 570755907 /nfs/dbraw/zinc/75/59/07/570755907.db2.gz RFVJGEGGCIJDDL-UHFFFAOYSA-N -1 0 392.411 2.953 50 10 GFCARM O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(O)cc1 ZINC000001203309 212228213 /nfs/dbraw/zinc/22/82/13/212228213.db2.gz VCDHOSDZMRLABJ-RIYZIHGNSA-N -1 0 387.189 2.821 50 10 GFCARM O=C1[N-]N(c2ccc(F)cc2)C(=O)/C1=C\c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000001139968 212222416 /nfs/dbraw/zinc/22/24/16/212222416.db2.gz SYSLQADDBOAJSA-PDGQHHTCSA-N -1 0 392.346 2.986 50 10 GFCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(O)c(OC)c3)C2=O)cc1 ZINC000009350115 221078223 /nfs/dbraw/zinc/07/82/23/221078223.db2.gz IZJKSLAVKCYPEX-ZSOIEALJSA-N -1 0 398.371 2.925 50 10 GFCARM CN(C)c1ccc(/C=C2/C(=O)[N-]C(=O)N(CCc3ccc(F)cc3)C2=O)cc1 ZINC000013522463 221270543 /nfs/dbraw/zinc/27/05/43/221270543.db2.gz DUOAHXDWDOWUJX-AQTBWJFISA-N -1 0 381.407 2.596 50 10 GFCARM COC(=O)c1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000100647015 536818516 /nfs/dbraw/zinc/81/85/16/536818516.db2.gz BGMYOJANIHAVPB-UVTDQMKNSA-N -1 0 399.790 2.705 50 10 GFCARM O=C1[N-]N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000004832979 551095064 /nfs/dbraw/zinc/09/50/64/551095064.db2.gz DIOSDBWAGXSSJI-MLPAPPSSSA-N -1 0 387.189 2.639 50 10 GFCARM CCCn1c2ccc([N-]S(=O)(=O)c3cccc4nsnc43)cc2oc1=O ZINC000033048775 570400437 /nfs/dbraw/zinc/40/04/37/570400437.db2.gz SUKHYCRBASGAJV-UHFFFAOYSA-N -1 0 390.446 2.810 50 10 GFCARM CCc1cc(C(=O)COc2ccccc2)c(O)c(C[N@@H+]2CCC[C@H]2C(=O)[O-])c1[O-] ZINC000005092958 570541168 /nfs/dbraw/zinc/54/11/68/570541168.db2.gz MLXYYCAWSWRSNG-SFHVURJKSA-N -1 0 399.443 2.971 50 10 GFCARM CCOC(=O)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3)C2=O)cc1 ZINC000004644857 570777156 /nfs/dbraw/zinc/77/71/56/570777156.db2.gz FGVITPHVHAVZED-ATVHPVEESA-N -1 0 394.383 2.538 50 10 GFCARM CC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(NC(C)=O)cc1 ZINC000101469827 570826062 /nfs/dbraw/zinc/82/60/62/570826062.db2.gz FJZHIBGMEBXZSJ-DUPNKOKHSA-N -1 0 378.392 2.594 50 10 GFCARM CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C2\c3ccccc3N(C)C2=O)SC1=S ZINC000004291583 204036642 /nfs/dbraw/zinc/03/66/42/204036642.db2.gz POFZIMNNNSUWNS-JOLOJFPGSA-N -1 0 390.486 2.878 50 10 GFCARM COc1cccc(C=C2C(=O)[N-]C(=O)NC2=O)c1OCc1ccc(Cl)cc1 ZINC000004679634 204063148 /nfs/dbraw/zinc/06/31/48/204063148.db2.gz DXNVKWIZVFWAJU-UHFFFAOYSA-N -1 0 386.791 2.677 50 10 GFCARM Cc1ccc(OCCn2cc(C=C3C(=O)[N-]C(=O)NC3=O)c3ccccc32)cc1 ZINC000005007392 204102105 /nfs/dbraw/zinc/10/21/05/204102105.db2.gz JONKKYUTTPQWJP-UHFFFAOYSA-N -1 0 389.411 2.778 50 10 GFCARM CCC[C@@H](NC(=O)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1)C(=O)[O-] ZINC000004942294 205757319 /nfs/dbraw/zinc/75/73/19/205757319.db2.gz HBQMTCSGAVBKGH-AUWXEVLLSA-N -1 0 378.475 2.501 50 10 GFCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3nc4ccccc4[nH]3)C2=O)cc1 ZINC000002210480 136193419 /nfs/dbraw/zinc/19/34/19/136193419.db2.gz IZXBMLJGEGOZLQ-SDNWHVSQSA-N -1 0 376.372 2.628 50 10 GFCARM CC(=Nc1ccc(S(N)(=O)=O)cc1)c1c(C)[n-]n(-c2ccc(F)cc2)c1=O ZINC000100423080 570359964 /nfs/dbraw/zinc/35/99/64/570359964.db2.gz VTGYTOVMLPLDGT-BOPFTXTBSA-N -1 0 388.424 2.582 50 10 GFCARM CC1=NN(c2nnn[n-]2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000102570499 570852365 /nfs/dbraw/zinc/85/23/65/570852365.db2.gz LFGHRKRFYYRIMG-YRNVUSSQSA-N -1 0 399.754 2.827 50 10 GFCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccccc1I ZINC000016667385 570930259 /nfs/dbraw/zinc/93/02/59/570930259.db2.gz UCQUBGVBOOAAJW-RAXLEYEMSA-N -1 0 390.180 2.753 50 10 GFCARM O=C1[N-]C(=O)C(=CC=Cc2coc3ccc(Br)cc3c2=O)C(=O)N1 ZINC000002359901 654436199 /nfs/dbraw/zinc/43/61/99/654436199.db2.gz FDATVVQAQIPPAG-OWOJBTEDSA-N -1 0 389.161 2.701 50 10 GFCARM CC(C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000004681286 204062725 /nfs/dbraw/zinc/06/27/25/204062725.db2.gz ODWQGNSWZLUVCS-CXUHLZMHSA-N -1 0 394.383 2.869 50 10 GFCARM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)cc1O ZINC000000661053 570215051 /nfs/dbraw/zinc/21/50/51/570215051.db2.gz LRNLOVHPQMGSQV-OQLLNIDSSA-N -1 0 382.441 2.849 50 10 GFCARM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)ccc1O ZINC000001407661 570262070 /nfs/dbraw/zinc/26/20/70/570262070.db2.gz SHZQVLOHAPLTBV-NTEUORMPSA-N -1 0 382.441 2.849 50 10 GFCARM CSc1ncc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(C)C)cc3)C2=O)cn1 ZINC000012382993 570417086 /nfs/dbraw/zinc/41/70/86/570417086.db2.gz VJKULGQUVOULMY-NVNXTCNLSA-N -1 0 382.445 2.988 50 10 GFCARM CCOc1ccc(S(=O)(=O)Nc2ccc([O-])c(Sc3nc[nH]n3)c2)cc1 ZINC000013116652 570746856 /nfs/dbraw/zinc/74/68/56/570746856.db2.gz 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Cc1ccccc1OCCn1cc(C=C2C(=O)[N-]C(=O)NC2=O)c2ccccc21 ZINC000002954981 570522365 /nfs/dbraw/zinc/52/23/65/570522365.db2.gz CWMDOQDVMIZCHU-UHFFFAOYSA-N -1 0 389.411 2.778 50 10 GFCARM CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1ccccc1F ZINC000001062131 570749895 /nfs/dbraw/zinc/74/98/95/570749895.db2.gz FNOHCSBYMHZNEN-UHFFFAOYSA-N -1 0 384.363 2.553 50 10 GFCARM Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2C=C2C(=O)[N-]C(=O)NC2=O)c1 ZINC000001084320 570751755 /nfs/dbraw/zinc/75/17/55/570751755.db2.gz ZUPBVXSTUGBIAF-UHFFFAOYSA-N -1 0 386.411 2.906 50 10 GFCARM Cc1[nH]c2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000013425341 570754264 /nfs/dbraw/zinc/75/42/64/570754264.db2.gz YFHWDEXMEQSXFO-OQLLNIDSSA-N -1 0 389.367 2.871 50 10 GFCARM O=C([O-])c1ccc(/C=C2\SC(=S)N(NC(=O)Cc3ccccc3)C2=O)cc1 ZINC000001221249 570821429 /nfs/dbraw/zinc/82/14/29/570821429.db2.gz KENRGDZIUHQRGE-GDNBJRDFSA-N -1 0 398.465 2.860 50 10 GFCARM Cc1[n-]n([C@H]2CCS(=O)(=O)C2)c(=O)c1C=Nc1cc(Cl)ccc1Cl ZINC000101484436 570824568 /nfs/dbraw/zinc/82/45/68/570824568.db2.gz RVQBTQXXYRVUMS-WBOGTDJTSA-N -1 0 388.276 2.694 50 10 GFCARM COc1ccccc1N1C(=O)C(=CNc2ccc3c(c2)CCC3)C(=O)[N-]C1=S ZINC000016662502 570930314 /nfs/dbraw/zinc/93/03/14/570930314.db2.gz KKVOKKQVLWHVIO-VBKFSLOCSA-N -1 0 393.468 2.928 50 10 GFCARM CC(C)CN1C(=O)c2ccc(C(=O)Nc3ccc(O)cc3C(=O)[O-])cc2C1=O ZINC000001216803 203897791 /nfs/dbraw/zinc/89/77/91/203897791.db2.gz VFQNSAZJDHBFCQ-UHFFFAOYSA-N -1 0 382.372 2.595 50 10 GFCARM CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1 ZINC000004820252 204078861 /nfs/dbraw/zinc/07/88/61/204078861.db2.gz USWZLOJTTQJPQM-ATVHPVEESA-N -1 0 382.420 2.700 50 10 GFCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S ZINC000005350904 204128271 /nfs/dbraw/zinc/12/82/71/204128271.db2.gz WMAXIXPYANMUJQ-SZJBZFAYSA-N -1 0 385.488 2.505 50 10 GFCARM O=C([O-])c1cc(N2C(=O)/C(=C\c3ccc(O)c(O)c3)SC2=S)ccc1O ZINC000005346221 204127175 /nfs/dbraw/zinc/12/71/75/204127175.db2.gz CBVPQDXJTJPWFD-MKMNVTDBSA-N -1 0 389.410 2.907 50 10 GFCARM CN1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C(=O)N(C)C1=O ZINC000004953827 204096051 /nfs/dbraw/zinc/09/60/51/204096051.db2.gz FDRCARZEXKTNJP-UHFFFAOYSA-N -1 0 388.763 2.732 50 10 GFCARM CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000006174197 204170546 /nfs/dbraw/zinc/17/05/46/204170546.db2.gz QYLDJLYFWKAZGS-BOPFTXTBSA-N -1 0 378.388 2.532 50 10 GFCARM Cc1[n-]n([C@@H]2CCS(=O)(=O)C2)c(=O)c1C=Nc1cc(Cl)ccc1Cl ZINC000013680670 206112387 /nfs/dbraw/zinc/11/23/87/206112387.db2.gz RVQBTQXXYRVUMS-HBZGRHIISA-N -1 0 388.276 2.694 50 10 GFCARM CN1C(=O)/C(=C\c2cc([N+](=O)[O-])cc(Br)c2[O-])SC1=S ZINC000013550596 551109090 /nfs/dbraw/zinc/10/90/90/551109090.db2.gz YXJVOHQUZXZRGK-FPYGCLRLSA-N -1 0 375.225 2.894 50 10 GFCARM COc1ccc(N2C(=O)/C(=C/C=C/c3ccco3)C(=O)[N-]C2=S)c(OC)c1 ZINC000001127286 570244490 /nfs/dbraw/zinc/24/44/90/570244490.db2.gz IXPUKALQKMCALF-VWQNNZLTSA-N -1 0 384.413 2.684 50 10 GFCARM CN1C(=O)/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C(=O)NC1=S ZINC000002356341 570283953 /nfs/dbraw/zinc/28/39/53/570283953.db2.gz PMNYEDWNNPRGDC-YRNVUSSQSA-N -1 0 390.804 2.555 50 10 GFCARM Cc1nn(C)cc1/C=C1/SC(=S)N([C@@H](Cc2ccccc2)C(=O)[O-])C1=O ZINC000002807810 570519636 /nfs/dbraw/zinc/51/96/36/570519636.db2.gz MMAUACRKCVCFGA-AHSSXEFNSA-N -1 0 387.486 2.626 50 10 GFCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S ZINC000002226508 570542961 /nfs/dbraw/zinc/54/29/61/570542961.db2.gz NZJHZQWAQVMKEO-LCFDYFRESA-N -1 0 393.515 2.970 50 10 GFCARM O=C(Oc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1)c1cccc2ccccc21 ZINC000001173765 570712835 /nfs/dbraw/zinc/71/28/35/570712835.db2.gz YWFCUFUEMLZNSE-UHFFFAOYSA-N -1 0 386.363 2.808 50 10 GFCARM CC(=O)Nc1cc([N-]S(=O)(=O)c2ccccc2Br)ccc1O ZINC000012536037 570835735 /nfs/dbraw/zinc/83/57/35/570835735.db2.gz KCDZJZVQFLRFRO-UHFFFAOYSA-N -1 0 385.239 2.914 50 10 GFCARM CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc1 ZINC000005595821 204141102 /nfs/dbraw/zinc/14/11/02/204141102.db2.gz QWEBZKXPKDSEMV-GZTJUZNOSA-N -1 0 394.456 2.697 50 10 GFCARM O=C([O-])[C@H](Cc1ccccc1)NC1=NC(=O)C(=Cc2ccc3c(c2)OCO3)S1 ZINC000008857219 204291538 /nfs/dbraw/zinc/29/15/38/204291538.db2.gz QRUOWJRBFSZLFF-FBJMNJBLSA-N -1 0 396.424 2.671 50 10 GFCARM COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(OC)c1 ZINC000009015986 204297507 /nfs/dbraw/zinc/29/75/07/204297507.db2.gz LVCMGQLDNCPYJE-WJDWOHSUSA-N -1 0 395.415 2.899 50 10 GFCARM COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c1OC ZINC000001214866 136196190 /nfs/dbraw/zinc/19/61/90/136196190.db2.gz LKOWKRGNVUVOMH-LFIBNONCSA-N -1 0 380.400 2.987 50 10 GFCARM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OC)cc2OC)C1=O ZINC000004724266 136196705 /nfs/dbraw/zinc/19/67/05/136196705.db2.gz YWHOVOMJYYKRAZ-WJDWOHSUSA-N -1 0 380.400 2.933 50 10 GFCARM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OC)c(OC)c2)C1=O ZINC000005234736 136196835 /nfs/dbraw/zinc/19/68/35/136196835.db2.gz DEPRVVIDSLUFIA-PTNGSMBKSA-N -1 0 380.400 2.933 50 10 GFCARM 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570543252 /nfs/dbraw/zinc/54/32/52/570543252.db2.gz MNMNRHPKKIRIRA-GHRIWEEISA-N -1 0 395.415 2.549 50 10 GFCARM N=C1/C(=C/c2cc([N+](=O)[O-])ccc2[O-])C(=O)N=C2SC(c3ccccc3)=NN21 ZINC000055477665 570695593 /nfs/dbraw/zinc/69/55/93/570695593.db2.gz TZLGNBFWJPYVNH-CXHQGSNTSA-N -1 0 393.384 2.968 50 10 GFCARM Cc1ccc(N2C(=O)C(=CNCCc3ccccc3)C(=O)[N-]C2=S)cc1C ZINC000005691062 570812578 /nfs/dbraw/zinc/81/25/78/570812578.db2.gz AKEOPZFFHVPSAD-AQTBWJFISA-N -1 0 379.485 2.767 50 10 GFCARM COc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)cc1 ZINC000004682262 570829117 /nfs/dbraw/zinc/82/91/17/570829117.db2.gz PBMPKOXGKLGNLK-LDADJPATSA-N -1 0 388.383 2.547 50 10 GFCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])s1 ZINC000005091999 654446265 /nfs/dbraw/zinc/44/62/65/654446265.db2.gz FYHCSJAPGVFZEF-XFFZJAGNSA-N -1 0 377.378 2.627 50 10 GFCARM CN(C1=NC(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)S1)c1ccc(O)cc1 ZINC000002238707 206402654 /nfs/dbraw/zinc/40/26/54/206402654.db2.gz 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CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OC)c(OC)c2)C1=O ZINC000013570976 570759169 /nfs/dbraw/zinc/75/91/69/570759169.db2.gz VJQASOYAVGKWBP-SDNWHVSQSA-N -1 0 396.399 2.769 50 10 GFCARM CCn1cc(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)[O-])C2=O)cn1 ZINC000006637004 209128255 /nfs/dbraw/zinc/12/82/55/209128255.db2.gz ILWLSZVGIPIVLP-AHSSXEFNSA-N -1 0 387.486 2.800 50 10 GFCARM O=C1[N-]C(=O)C(=Cc2ccc(OCCOc3ccccc3Cl)cc2)C(=O)N1 ZINC000002977052 209117771 /nfs/dbraw/zinc/11/77/71/209117771.db2.gz MWWSYZXLBLBSRJ-UHFFFAOYSA-N -1 0 386.791 2.547 50 10 GFCARM CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(S(N)(=O)=O)cc1 ZINC000016160770 207072605 /nfs/dbraw/zinc/07/26/05/207072605.db2.gz YDWSSEFBDTVGDR-YBEGLDIGSA-N -1 0 390.852 2.706 50 10 GFCARM COc1cc(/C=C2/C(=O)[N-]N(c3ccc(Br)cc3)C2=O)ccc1O ZINC000023550050 207279106 /nfs/dbraw/zinc/27/91/06/207279106.db2.gz CLZGHEMQFJXGFQ-JYRVWZFOSA-N -1 0 389.205 2.625 50 10 GFCARM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=CNC12CC3CC(CC(C3)C1)C2 ZINC000100437803 570361319 /nfs/dbraw/zinc/36/13/19/570361319.db2.gz LDVVPZDRFQDAML-LDADJPATSA-N -1 0 379.460 2.707 50 10 GFCARM COc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O ZINC000004704476 570395632 /nfs/dbraw/zinc/39/56/32/570395632.db2.gz KPQLJQGEZXOHDS-GDNBJRDFSA-N -1 0 381.344 2.578 50 10 GFCARM O=C1[N-]C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cnc(-c2ccccc2)nc1 ZINC000001179592 209115258 /nfs/dbraw/zinc/11/52/58/209115258.db2.gz WETBYCWXWRDNPU-CPNJWEJPSA-N -1 0 398.422 2.848 50 10 GFCARM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1O ZINC000001070811 206348900 /nfs/dbraw/zinc/34/89/00/206348900.db2.gz YAUPJTIWJKQTEJ-MDWZMJQESA-N -1 0 388.832 2.886 50 10 GFCARM COc1cc2c(cc1/C=C1\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C1=O)OCO2 ZINC000001126366 206356447 /nfs/dbraw/zinc/35/64/47/206356447.db2.gz PJNTXURRBATSRY-VIZOYTHASA-N -1 0 394.383 2.707 50 10 GFCARM O=C1[N-]C(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/N1CCc2ccccc2C1 ZINC000001129826 206357251 /nfs/dbraw/zinc/35/72/51/206357251.db2.gz ZVEWBONKDVVSAG-GHRIWEEISA-N 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Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=CNCCc2ccccc2)C1=O ZINC000006131816 570276090 /nfs/dbraw/zinc/27/60/90/570276090.db2.gz SUSIBXGJTPDMRV-FOWTUZBSSA-N -1 0 383.835 2.947 50 10 GFCARM CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CCC2 ZINC000005020834 570424309 /nfs/dbraw/zinc/42/43/09/570424309.db2.gz ILQPMYBYEUONKS-OAACRXHESA-N -1 0 375.446 2.875 50 10 GFCARM Cc1n[nH]c(SC(=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)C(=O)[O-])n1 ZINC000004677137 570823211 /nfs/dbraw/zinc/82/32/11/570823211.db2.gz COOSSJBBLUDZMC-NTEUORMPSA-N -1 0 375.410 2.839 50 10 GFCARM O=C([O-])[C@@H](Cc1ccccc1)[NH2+]Cc1c([O-])ccc2c3c(c(=O)oc21)CCC3 ZINC000004026725 570907561 /nfs/dbraw/zinc/90/75/61/570907561.db2.gz TTXWLMKRBQMGGH-GOSISDBHSA-N -1 0 379.412 2.773 50 10 GFCARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000004739737 570953827 /nfs/dbraw/zinc/95/38/27/570953827.db2.gz BGAJVIJCVHTKPK-LVSMMTLPSA-N -1 0 385.464 2.688 50 10 GFCARM O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1[N-]S(=O)(=O)c1ccccc1 ZINC000002344842 654435957 /nfs/dbraw/zinc/43/59/57/654435957.db2.gz MQSWXXOPQZUNCM-UVTDQMKNSA-N -1 0 394.474 2.920 50 10 GFCARM CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C\c3cc(Cl)ccc3O)C2=O)cc1 ZINC000334162931 206255231 /nfs/dbraw/zinc/25/52/31/206255231.db2.gz HGZNVBXEHBXFAU-XNTDXEJSSA-N -1 0 386.791 2.684 50 10 GFCARM CCOc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)C(=O)[N-]C2=S)cc1 ZINC000001104059 206352308 /nfs/dbraw/zinc/35/23/08/206352308.db2.gz FDSQFDPMHRWBDU-QGOAFFKASA-N -1 0 395.484 2.983 50 10 GFCARM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc(Cl)c1O ZINC000001178817 206363541 /nfs/dbraw/zinc/36/35/41/206363541.db2.gz JVSZNAUEZXDRLL-POHAHGRESA-N -1 0 390.754 2.860 50 10 GFCARM O=C1/C(=C\C=C\c2ccco2)SC(=S)N1[N-]S(=O)(=O)c1ccccc1 ZINC000004482973 206523414 /nfs/dbraw/zinc/52/34/14/206523414.db2.gz YIUMXULORVBWLL-WXWAHJOQSA-N -1 0 392.483 2.931 50 10 GFCARM O=C(CSc1nc(-c2ccco2)nc2cc(=O)[n-]n21)Nc1cccc(F)c1 ZINC000015732629 207058205 /nfs/dbraw/zinc/05/82/05/207058205.db2.gz PBCARSPAXKHYER-UHFFFAOYSA-N -1 0 385.380 2.548 50 10 GFCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S ZINC000027533795 207326881 /nfs/dbraw/zinc/32/68/81/207326881.db2.gz NZJHZQWAQVMKEO-OYGDSYQHSA-N -1 0 393.515 2.970 50 10 GFCARM CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1ccc(Cl)cc1Cl ZINC000101468501 208394228 /nfs/dbraw/zinc/39/42/28/208394228.db2.gz AWEUTCNEMZHQHN-WBOGTDJTSA-N -1 0 388.276 2.694 50 10 GFCARM COc1ccc(OC)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)c1 ZINC000004539330 136193993 /nfs/dbraw/zinc/19/39/93/136193993.db2.gz RNHRDKGAVNRJTF-LFIBNONCSA-N -1 0 380.400 2.987 50 10 GFCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Br)o1 ZINC000006240700 551098844 /nfs/dbraw/zinc/09/88/44/551098844.db2.gz IYNOYKLWVIFOGV-DHZHZOJOSA-N -1 0 377.219 2.873 50 10 GFCARM COc1ccccc1S(=O)(=O)[N-]c1sc2c(c1C(N)=O)CC[C@H](C)C2 ZINC000013058972 551108278 /nfs/dbraw/zinc/10/82/78/551108278.db2.gz RIEUYNPOZJVPJV-JTQLQIEISA-N -1 0 380.491 2.781 50 10 GFCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNCCc1c[nH]c2ccccc12 ZINC000005888824 570460233 /nfs/dbraw/zinc/46/02/33/570460233.db2.gz SBIPEWVTEBWMEN-LGMDPLHJSA-N -1 0 390.468 2.632 50 10 GFCARM COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(CCCC(=O)[O-])C1=O ZINC000013547894 570757399 /nfs/dbraw/zinc/75/73/99/570757399.db2.gz BIDQTMUGUQCKKV-ZSOIEALJSA-N -1 0 397.474 2.778 50 10 GFCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(O)cc1 ZINC000001225759 570840109 /nfs/dbraw/zinc/84/01/09/570840109.db2.gz NCKKOWAMSCMEQF-NTEUORMPSA-N -1 0 387.189 2.821 50 10 GFCARM O=C1/C(=C/c2cccs2)SC(=S)N1[N-]S(=O)(=O)c1ccccc1 ZINC000002424672 654435938 /nfs/dbraw/zinc/43/59/38/654435938.db2.gz VWAZCVPSBKHJKM-XFXZXTDPSA-N -1 0 382.513 2.843 50 10 GFCARM COC(=O)CSc1sc(C(=O)OC)c([O-])c1NC(=O)c1ccccc1 ZINC000041154858 654623365 /nfs/dbraw/zinc/62/33/65/654623365.db2.gz NGHPRSGMERJXOI-UHFFFAOYSA-N -1 0 381.431 2.758 50 10 GFCARM COC(=O)c1ccc(/C=C2/SC(=S)N([C@@H](C(=O)[O-])C(C)C)C2=O)cc1 ZINC000016786946 210196539 /nfs/dbraw/zinc/19/65/39/210196539.db2.gz HWEKDGAYBHWPNY-YQCJOKCJSA-N -1 0 379.459 2.784 50 10 GFCARM COc1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc(Cl)c1O ZINC000015013894 210143288 /nfs/dbraw/zinc/14/32/88/210143288.db2.gz ZPVIXJXRGAIQCQ-GHXNOFRVSA-N -1 0 378.812 2.849 50 10 GFCARM COc1ccc(-n2cccc2/C=C2/C(=O)[N-]C(=O)N(c3cccnc3)C2=O)cc1 ZINC000015013736 210142971 /nfs/dbraw/zinc/14/29/71/210142971.db2.gz PBMPKOXGKLGNLK-PDGQHHTCSA-N -1 0 388.383 2.547 50 10 GFCARM COc1cccc(C=C2C(=O)[N-]C(=O)NC2=O)c1OCc1cccc(Cl)c1 ZINC000001439583 209328319 /nfs/dbraw/zinc/32/83/19/209328319.db2.gz XUQUVWUUCRJNQX-UHFFFAOYSA-N -1 0 386.791 2.677 50 10 GFCARM Cc1ccc(N2C(=O)C(=CNCCc3ccccc3)C(=O)[N-]C2=S)c(C)c1 ZINC000020463401 210337582 /nfs/dbraw/zinc/33/75/82/210337582.db2.gz XHABCACRXMRTOT-GHRIWEEISA-N -1 0 379.485 2.767 50 10 GFCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/N1CCCc2ccccc21 ZINC000098086613 136188916 /nfs/dbraw/zinc/18/89/16/136188916.db2.gz WDVBWGRNZZCPBS-WYMLVPIESA-N -1 0 381.432 2.910 50 10 GFCARM CN(C)c1cccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c1 ZINC000002892676 136193518 /nfs/dbraw/zinc/19/35/18/136193518.db2.gz UIKIJTGLHAKJQC-KAMYIIQDSA-N -1 0 384.436 2.635 50 10 GFCARM CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000100757620 136196035 /nfs/dbraw/zinc/19/60/35/136196035.db2.gz XLLXIGVGFGMZDM-MHWRWJLKSA-N -1 0 398.806 2.877 50 10 GFCARM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3OC)C2=O)ccc1O ZINC000000723630 520628995 /nfs/dbraw/zinc/62/89/95/520628995.db2.gz WRDNTSSLVDUWGW-JLHYYAGUSA-N -1 0 398.440 2.631 50 10 GFCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])o3)C2=O)cc1Cl ZINC000005024350 570398927 /nfs/dbraw/zinc/39/89/27/570398927.db2.gz VZWAGMJKBSZTHJ-YFHOEESVSA-N -1 0 391.723 2.516 50 10 GFCARM COc1ccc(N2CCN(c3nc(-c4ccccc4OC)cc(=O)[nH]3)CC2)cc1 ZINC000009420215 570557450 /nfs/dbraw/zinc/55/74/50/570557450.db2.gz COWAYXZRKXOLJQ-UHFFFAOYSA-N -1 0 392.459 2.781 50 10 GFCARM CCOC(=O)c1cc(-c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)o2)ccc1Cl ZINC000004644282 570776221 /nfs/dbraw/zinc/77/62/21/570776221.db2.gz CGBKAYHILGPOTR-UHFFFAOYSA-N -1 0 388.763 2.526 50 10 GFCARM Cc1ccc(N2[N-]C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)C2=O)cc1Cl ZINC000004798269 570994339 /nfs/dbraw/zinc/99/43/39/570994339.db2.gz ZAWCZMSCMSTHLF-PDGQHHTCSA-N -1 0 397.862 2.946 50 10 GFCARM CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)cc1 ZINC000018158348 210215058 /nfs/dbraw/zinc/21/50/58/210215058.db2.gz HFKUTIHKEPLMDP-GZTJUZNOSA-N -1 0 394.456 2.697 50 10 GFCARM O=C([O-])[C@@H](Cc1ccccc1)NC1=NC(=O)C(=Cc2ccc3c(c2)OCO3)S1 ZINC000008857220 209804209 /nfs/dbraw/zinc/80/42/09/209804209.db2.gz QRUOWJRBFSZLFF-NGWPFTMJSA-N -1 0 396.424 2.671 50 10 GFCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])o3)C2=O)cc1Cl ZINC000005033292 570401755 /nfs/dbraw/zinc/40/17/55/570401755.db2.gz VLQIDLXDBAKGAX-XFFZJAGNSA-N -1 0 375.724 2.816 50 10 GFCARM CCOc1ccc(N2C(=O)/C(=C\c3nc4ccccc4[nH]3)C(=O)[N-]C2=S)cc1 ZINC000004470047 570790789 /nfs/dbraw/zinc/79/07/89/570790789.db2.gz PMFHYEIUCWEMMH-KAMYIIQDSA-N -1 0 392.440 2.793 50 10 GFCARM CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/NC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000101123433 570815434 /nfs/dbraw/zinc/81/54/34/570815434.db2.gz GRUVIZPJIHPCBX-NTEUORMPSA-N -1 0 399.338 2.868 50 10 GFCARM COc1cccc(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CCCCC3)c1 ZINC000004884947 654445526 /nfs/dbraw/zinc/44/55/26/654445526.db2.gz GZOBDFLGKAJXAT-UHFFFAOYSA-N -1 0 380.491 2.925 50 10 GFCARM COc1cc(/C=C2\SC(=S)N([C@@H](CCSC)C(=O)[O-])C2=O)ccc1O ZINC000013689050 210080402 /nfs/dbraw/zinc/08/04/02/210080402.db2.gz FYTQPPXGEPQUDL-AAIQCTMTSA-N -1 0 399.515 2.808 50 10 GFCARM COc1ccc(CNC=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000002892863 209395253 /nfs/dbraw/zinc/39/52/53/209395253.db2.gz NLGPUSFTFMYUFS-KAMYIIQDSA-N -1 0 385.807 2.605 50 10 GFCARM O=C([O-])c1ccccc1C(=O)N1CCN(c2nc(-c3ccccc3)ns2)CC1 ZINC000001028154 209289796 /nfs/dbraw/zinc/28/97/96/209289796.db2.gz IUSFLEYPTHEYEQ-UHFFFAOYSA-N -1 0 394.456 2.866 50 10 GFCARM COc1ccc(N(CC(=O)[O-])CC(=O)NCCc2ccccc2Cl)cc1 ZINC000034926480 570548272 /nfs/dbraw/zinc/54/82/72/570548272.db2.gz CQPMTEMXBWYNRA-UHFFFAOYSA-N -1 0 376.840 2.599 50 10 GFCARM CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)cc1 ZINC000005595890 570666475 /nfs/dbraw/zinc/66/64/75/570666475.db2.gz JCQMEMPKUDNBNX-LFIBNONCSA-N -1 0 394.456 2.697 50 10 GFCARM Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000004704217 570854882 /nfs/dbraw/zinc/85/48/82/570854882.db2.gz KCEJDEHUGFYZJG-UHFFFAOYSA-N -1 0 395.415 2.535 50 10 GFCARM CCOc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)ccc1O ZINC000015013564 210144066 /nfs/dbraw/zinc/14/40/66/210144066.db2.gz WAIPVYPGVKVWQF-ZSOIEALJSA-N -1 0 386.404 2.761 50 10 GFCARM O=C1[N-]N(c2ccc(I)cc2)C(=O)/C1=C\c1cccs1 ZINC000000859985 209273485 /nfs/dbraw/zinc/27/34/85/209273485.db2.gz LJTVLNYGVHDIOY-WQLSENKSSA-N -1 0 396.209 2.814 50 10 GFCARM CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1cc(Cl)cc(Cl)c1 ZINC000101470625 211399975 /nfs/dbraw/zinc/39/99/75/211399975.db2.gz KXQYOAHRLLTABR-PFLCFFIHSA-N -1 0 388.276 2.694 50 10 GFCARM CC(=O)Nc1cccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000005444073 534753107 /nfs/dbraw/zinc/75/31/07/534753107.db2.gz BSPUZAZSCCHEJY-YBEGLDIGSA-N -1 0 398.806 2.877 50 10 GFCARM COc1ccc(N2C(=O)/C(=C\c3cc(OC)ccc3OC)C(=O)[N-]C2=S)cc1 ZINC000004739011 570400197 /nfs/dbraw/zinc/40/01/97/570400197.db2.gz OFJMKLURDNDNST-WJDWOHSUSA-N -1 0 398.440 2.544 50 10 GFCARM CC(=O)N[C@@H](c1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000004684849 570830150 /nfs/dbraw/zinc/83/01/50/570830150.db2.gz HSTOIOLZOOKHCY-KRWDZBQOSA-N -1 0 381.344 2.803 50 10 GFCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)cc3)C2=O)c1 ZINC000002452243 209364748 /nfs/dbraw/zinc/36/47/48/209364748.db2.gz UQYCYBDMYRTGPX-XMHGGMMESA-N -1 0 391.427 2.702 50 10 GFCARM O=C1[N-]C(=O)C(=Cc2cc(Br)c(Sc3ncccn3)o2)C(=O)N1 ZINC000001408110 209326815 /nfs/dbraw/zinc/32/68/15/209326815.db2.gz XVNZWAYWBQJGAV-UHFFFAOYSA-N -1 0 395.194 2.573 50 10 GFCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNCCc2c[nH]c3ccccc23)C1=O ZINC000019597148 210274940 /nfs/dbraw/zinc/27/49/40/210274940.db2.gz YDCXXIUWJQPFNT-LGMDPLHJSA-N -1 0 388.427 2.775 50 10 GFCARM COc1cccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c1OC ZINC000012362864 221184628 /nfs/dbraw/zinc/18/46/28/221184628.db2.gz MOEWBUBDCHMJIZ-UVTDQMKNSA-N -1 0 386.404 2.674 50 10 GFCARM O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)/C1=C\c1ccc(N2CCCC2)o1 ZINC000004471185 136193954 /nfs/dbraw/zinc/19/39/54/136193954.db2.gz JXTCMUNQMBEJOK-PTNGSMBKSA-N -1 0 385.420 2.850 50 10 GFCARM O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(N2CCOCC2)cc1 ZINC000004982405 136194432 /nfs/dbraw/zinc/19/44/32/136194432.db2.gz HDRIFAADNVKOHV-PDGQHHTCSA-N -1 0 383.835 2.638 50 10 GFCARM COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)C(=O)[N-]C2=S)cc1 ZINC000001181827 536657051 /nfs/dbraw/zinc/65/70/51/536657051.db2.gz IDLULTIPJUYYDX-MDWZMJQESA-N -1 0 388.832 2.886 50 10 GFCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])o3)C2=O)cc1Cl ZINC000017112468 536658123 /nfs/dbraw/zinc/65/81/23/536658123.db2.gz VZWAGMJKBSZTHJ-JXMROGBWSA-N -1 0 391.723 2.721 50 10 GFCARM COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(C(=O)[O-])cc1 ZINC000000780561 570324160 /nfs/dbraw/zinc/32/41/60/570324160.db2.gz DTAPSFPDOOIIOV-YVLHZVERSA-N -1 0 378.384 2.653 50 10 GFCARM COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)c1OC ZINC000004723774 570397864 /nfs/dbraw/zinc/39/78/64/570397864.db2.gz WUDMEWDIMCZRID-NTEUORMPSA-N -1 0 386.404 2.674 50 10 GFCARM COc1ccc(OC)c(C=C2C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)c1 ZINC000017195478 210205957 /nfs/dbraw/zinc/20/59/57/210205957.db2.gz YPQZINFTUPHPCQ-YBEGLDIGSA-N -1 0 384.363 2.709 50 10 GFCARM COc1cccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccccc3Cl)C2=O)c1 ZINC000002828646 209390448 /nfs/dbraw/zinc/39/04/48/209390448.db2.gz IZQVCPNWRZNHNR-XNTDXEJSSA-N -1 0 385.807 2.923 50 10 GFCARM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)C1=Cc1ccc(N2CCOCC2)cc1 ZINC000002450945 209365259 /nfs/dbraw/zinc/36/52/59/209365259.db2.gz DLXMVPWKSYZQBO-LDADJPATSA-N -1 0 395.390 2.533 50 10 GFCARM COC(=O)c1ccc(/C=C2\SC(=S)N([C@H](C(=O)[O-])C(C)C)C2=O)cc1 ZINC000001236404 209317911 /nfs/dbraw/zinc/31/79/11/209317911.db2.gz HWEKDGAYBHWPNY-FSBNRTBOSA-N -1 0 379.459 2.784 50 10 GFCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCOCC3)o2)C1=O ZINC000009058801 209247496 /nfs/dbraw/zinc/24/74/96/209247496.db2.gz DHHJSSBMRAWXAB-QINSGFPZSA-N -1 0 381.388 2.931 50 10 GFCARM O=c1c(-c2ccc3c(c2)OCCO3)coc2c1ccc([O-])c2CN1CCOCC1 ZINC000020437689 209234289 /nfs/dbraw/zinc/23/42/89/209234289.db2.gz RNZPFHUYGLWJOC-UHFFFAOYSA-N -1 0 395.411 2.769 50 10 GFCARM COc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3c[nH]c4ccccc34)C2=O)cc1 ZINC000019706733 210283620 /nfs/dbraw/zinc/28/36/20/210283620.db2.gz JPCWPWYDAMTLCD-YVLHZVERSA-N -1 0 375.384 2.839 50 10 GFCARM Cc1ccc(N2C(=O)C(=CNCCc3ccccc3)C(=O)[N-]C2=S)cc1C ZINC000103099602 136196579 /nfs/dbraw/zinc/19/65/79/136196579.db2.gz AKEOPZFFHVPSAD-QGOAFFKASA-N -1 0 379.485 2.767 50 10 GFCARM Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000252617191 553150467 /nfs/dbraw/zinc/15/04/67/553150467.db2.gz KOAXTNKKEUXCCW-QMMMGPOBSA-N -1 0 375.197 2.816 50 10 GFCARM CCOc1cccc(N2C(=O)/C(=C\c3ccccc3OC)C(=O)[N-]C2=S)c1 ZINC000004471558 570376203 /nfs/dbraw/zinc/37/62/03/570376203.db2.gz DHWFXKHPMQLHDI-WJDWOHSUSA-N -1 0 382.441 2.925 50 10 GFCARM O=C([O-])CN1C(=O)/C(=C/c2ccc(OCC(F)(F)F)cc2)SC1=S ZINC000065203214 570729153 /nfs/dbraw/zinc/72/91/53/570729153.db2.gz HFVCGJIKNAQWIZ-YHYXMXQVSA-N -1 0 377.365 2.914 50 10 GFCARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000004739736 570953962 /nfs/dbraw/zinc/95/39/62/570953962.db2.gz BGAJVIJCVHTKPK-PBXDPIQXSA-N -1 0 385.464 2.688 50 10 GFCARM COC(=O)c1[nH]c2ccccc2c1/C=C1/SC(=S)N(CCC(=O)[O-])C1=O ZINC000013684133 210080324 /nfs/dbraw/zinc/08/03/24/210080324.db2.gz XQPAOCCZXVBZDB-XYOKQWHBSA-N -1 0 390.442 2.630 50 10 GFCARM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccco1 ZINC000001203437 209313354 /nfs/dbraw/zinc/31/33/54/209313354.db2.gz MVFJHEQDISFYIS-XYOKQWHBSA-N -1 0 377.219 2.873 50 10 in-vitro GFCARM CCOC(=O)c1[nH]c2ccccc2c1/C=C1/C(=O)[N-]C(=O)N(C(C)(C)C)C1=O ZINC000071416810 211049366 /nfs/dbraw/zinc/04/93/66/211049366.db2.gz JQHMAPRDCCNVLX-RAXLEYEMSA-N -1 0 383.404 2.605 50 10 GFCARM O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc([N+](=O)[O-])o1 ZINC000004880176 551095657 /nfs/dbraw/zinc/09/56/57/551095657.db2.gz QMVFSIMLEXTEKR-XFFZJAGNSA-N -1 0 377.765 2.673 50 10 GFCARM O=C([O-])c1ccccc1/C=C1\SC(=S)N(NC(=O)Cc2ccccc2)C1=O ZINC000002981311 570322197 /nfs/dbraw/zinc/32/21/97/570322197.db2.gz PCIJISSWZFPHDA-PTNGSMBKSA-N -1 0 398.465 2.860 50 10 GFCARM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNN1CCCC[C@H]1c1cccnc1 ZINC000017028391 570924511 /nfs/dbraw/zinc/92/45/11/570924511.db2.gz DYBVBFWXWUSFAQ-WBILKINKSA-N -1 0 395.419 2.709 50 10 GFCARM Cc1oc(C(N)=O)cc1-c1csc([N-]S(=O)(=O)c2ccc(F)cc2F)n1 ZINC000084028420 570991339 /nfs/dbraw/zinc/99/13/39/570991339.db2.gz FGWXKRRLUTZAOI-UHFFFAOYSA-N -1 0 399.400 2.889 50 10 GFCARM CN1c2ccccc2/C(=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)C1=O ZINC000013638646 210074238 /nfs/dbraw/zinc/07/42/38/210074238.db2.gz OXPGJYNPCBJVCP-PFONDFGASA-N -1 0 390.486 2.879 50 10 GFCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(OC(=O)c3ccco3)cc2)SC1=S ZINC000002026628 209343476 /nfs/dbraw/zinc/34/34/76/209343476.db2.gz ODCLDVLYEJBJDW-MDWZMJQESA-N -1 0 389.410 2.785 50 10 GFCARM COc1cc(/C=C2\SC(=S)N([C@H](C(=O)[O-])C(C)C)C2=O)cc(OC)c1O ZINC000001800913 209340127 /nfs/dbraw/zinc/34/01/27/209340127.db2.gz NBMMKPSIDCKDHT-OTAKNEKHSA-N -1 0 397.474 2.720 50 10 GFCARM Cc1[nH]c2ccccc2c1/C=C1/C(=O)[N-]C(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000000886158 136193008 /nfs/dbraw/zinc/19/30/08/136193008.db2.gz YFHWDEXMEQSXFO-DHDCSXOGSA-N -1 0 389.367 2.871 50 10 GFCARM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)ccc1O ZINC000000766538 521964063 /nfs/dbraw/zinc/96/40/63/521964063.db2.gz UYGMFTYPJJDGFZ-MDWZMJQESA-N -1 0 388.832 2.886 50 10 GFCARM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1O ZINC000002945280 570319165 /nfs/dbraw/zinc/31/91/65/570319165.db2.gz OEHLMPCBLHQXRF-OVCLIPMQSA-N -1 0 396.399 2.693 50 10 GFCARM COc1cc(/C=C2/SC(N3CCCCC3)=NC2=O)ccc1OCC(=O)[O-] ZINC000003765352 570350668 /nfs/dbraw/zinc/35/06/68/570350668.db2.gz JAFHWXCMFDGRTA-XNTDXEJSSA-N -1 0 376.434 2.615 50 10 GFCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C(=O)OC)cc3)C2=O)cc1 ZINC000004845653 570411755 /nfs/dbraw/zinc/41/17/55/570411755.db2.gz JQBSNYJTHDPQBK-ATVHPVEESA-N -1 0 378.384 2.702 50 10 GFCARM CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S ZINC000001293680 212233739 /nfs/dbraw/zinc/23/37/39/212233739.db2.gz PHNBTXGRVXGNDO-AAIQCTMTSA-N -1 0 397.474 2.777 50 10 GFCARM Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000001185803 212227434 /nfs/dbraw/zinc/22/74/34/212227434.db2.gz HXMHKVXQEWQIRD-UHFFFAOYSA-N -1 0 377.322 2.862 50 10 GFCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(CCc3ccc(F)cc3)C2=O)c(OC)c1 ZINC000009332121 221078350 /nfs/dbraw/zinc/07/83/50/221078350.db2.gz SIFVLMJTBSBVNF-GZTJUZNOSA-N -1 0 398.390 2.547 50 10 GFCARM CCOc1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1OCC ZINC000013464164 221269107 /nfs/dbraw/zinc/26/91/07/221269107.db2.gz VMGWHTCYUMKNNU-UHFFFAOYSA-N -1 0 381.406 2.689 50 10 GFCARM COc1ccc(N2CCN(c3ccc(NC(=O)/C=C/C(=O)[O-])cc3)CC2)cc1 ZINC000000627240 136192875 /nfs/dbraw/zinc/19/28/75/136192875.db2.gz QBOBDQZUKMZVJB-ZHACJKMWSA-N -1 0 381.432 2.601 50 10 GFCARM O=C([O-])CCC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@H]1c1ccccc1O ZINC000080316289 222307070 /nfs/dbraw/zinc/30/70/70/222307070.db2.gz LVGBRZJEZFPQRT-HNNXBMFYSA-N -1 0 382.372 2.663 50 10 GFCARM COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C2C(=O)[N-]C(=O)NC2=O)c1C ZINC000001161790 570251999 /nfs/dbraw/zinc/25/19/99/570251999.db2.gz WJQUOHYYSXGEBI-UHFFFAOYSA-N -1 0 384.348 2.601 50 10 GFCARM Cc1ccc(OCCOc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2)cc1C ZINC000002834375 570519328 /nfs/dbraw/zinc/51/93/28/570519328.db2.gz NSADEUGMJZVTBP-UHFFFAOYSA-N -1 0 380.400 2.511 50 10 GFCARM CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000005976270 570810534 /nfs/dbraw/zinc/81/05/34/570810534.db2.gz VEULHWVAFMUJNX-GXDHUFHOSA-N -1 0 398.806 2.877 50 10 GFCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(OC)c1OC ZINC000001192747 212227458 /nfs/dbraw/zinc/22/74/58/212227458.db2.gz CGRVRFJWRGJDOF-RVDMUPIBSA-N -1 0 396.399 2.687 50 10 GFCARM CCN1c2ccc(OC)cc2C=C/C1=C1/SC(=S)N(CC(=O)[O-])C1=O ZINC000003110467 220604640 /nfs/dbraw/zinc/60/46/40/220604640.db2.gz QIPRHNDVFDBVKK-SQFISAMPSA-N -1 0 376.459 2.705 50 10 GFCARM COc1cc(/C=C2/C(=O)[N-]N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OC ZINC000016195171 221359240 /nfs/dbraw/zinc/35/92/40/221359240.db2.gz CBCHJFASOAIQMK-ZSOIEALJSA-N -1 0 388.807 2.827 50 10 GFCARM CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000006276070 570356543 /nfs/dbraw/zinc/35/65/43/570356543.db2.gz AWLQSHOBLPKVGW-WQRHYEAKSA-N -1 0 392.415 2.841 50 10 GFCARM CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1cccc(F)c1 ZINC000001175317 570713378 /nfs/dbraw/zinc/71/33/78/570713378.db2.gz MVIXKXHSHGZKOM-UHFFFAOYSA-N -1 0 384.363 2.553 50 10 GFCARM COc1cccc(N2C(=O)/C(=C/c3ccc(OC)cc3OC)C(=O)[N-]C2=S)c1 ZINC000001182050 570791467 /nfs/dbraw/zinc/79/14/67/570791467.db2.gz SDNKYTWLFIMIGR-CXUHLZMHSA-N -1 0 398.440 2.544 50 10 GFCARM COCCn1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c2ccccc21 ZINC000004682219 570828947 /nfs/dbraw/zinc/82/89/47/570828947.db2.gz DHEDQEGSBZUUGG-ATVHPVEESA-N -1 0 381.432 2.692 50 10 GFCARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2c3nsnc3ccc2C)cc1 ZINC000004754167 570965378 /nfs/dbraw/zinc/96/53/78/570965378.db2.gz JYYHGYWXOUYHQM-UHFFFAOYSA-N -1 0 377.447 2.977 50 10 GFCARM O=C(Nc1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1)NC1CC1 ZINC000045866274 570998494 /nfs/dbraw/zinc/99/84/94/570998494.db2.gz XKAJZVROADINFP-UHFFFAOYSA-N -1 0 389.462 2.776 50 10 GFCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(N2CCCC2)o1 ZINC000001151094 212222840 /nfs/dbraw/zinc/22/28/40/212222840.db2.gz YVAMCGRBDZHXFL-RVDMUPIBSA-N -1 0 385.420 2.850 50 10 GFCARM CC(C)C[C@H](C(=O)[O-])N1C(=O)/C(=C2\c3ccccc3N(C)C2=O)SC1=S ZINC000004291582 220700901 /nfs/dbraw/zinc/70/09/01/220700901.db2.gz QFVWFNPMJJTSEI-HUTFPVNGSA-N -1 0 390.486 2.734 50 10 GFCARM COc1ccc(C=C2SC(=S)NC2=O)cc1I ZINC000015163070 221333862 /nfs/dbraw/zinc/33/38/62/221333862.db2.gz MHBVEBIDAVIUGP-UITAMQMPSA-N -1 0 377.228 2.789 50 10 GFCARM C[C@H]1CCc2cc(F)ccc2N1/C=C1/C(=O)[N-]C(=O)N(Cc2ccco2)C1=O ZINC000016212461 221358951 /nfs/dbraw/zinc/35/89/51/221358951.db2.gz UVLFMZMQJLIRMT-IEMQHYRPSA-N -1 0 383.379 2.722 50 10 GFCARM CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]C(=O)N(CC)C3=O)o2)cc1 ZINC000059109621 222055437 /nfs/dbraw/zinc/05/54/37/222055437.db2.gz HGWMTDDPRSKNED-RVDMUPIBSA-N -1 0 382.372 2.605 50 10 GFCARM COc1ccc(OC)c(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)c1 ZINC000001160902 570251831 /nfs/dbraw/zinc/25/18/31/570251831.db2.gz QZXSWCBHNBRGHJ-OQLLNIDSSA-N -1 0 386.404 2.674 50 10 GFCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000006065144 570465178 /nfs/dbraw/zinc/46/51/78/570465178.db2.gz BMJUHGUKMCVFFH-AQTBWJFISA-N -1 0 388.427 2.775 50 10 GFCARM CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C/c3ccccc3OCC)C2=O)cc1 ZINC000005175591 570493310 /nfs/dbraw/zinc/49/33/10/570493310.db2.gz KRWAOLBOCRHGRN-LGMDPLHJSA-N -1 0 380.400 2.723 50 10 GFCARM COc1ccc(N(CC(=O)[O-])CC(=O)NCc2cccc(C(F)(F)F)c2)cc1 ZINC000034926482 570548163 /nfs/dbraw/zinc/54/81/63/570548163.db2.gz DUTAMLBWPZIHEL-UHFFFAOYSA-N -1 0 396.365 2.921 50 10 GFCARM Cc1cc(C)cc(N2C(=O)C(=CNCCc3ccccc3)C(=O)[N-]C2=S)c1 ZINC000005886060 570801312 /nfs/dbraw/zinc/80/13/12/570801312.db2.gz JZTWTWZSWPYUDT-AQTBWJFISA-N -1 0 379.485 2.767 50 10 GFCARM CC(=O)N[C@H](c1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000004684850 570830228 /nfs/dbraw/zinc/83/02/28/570830228.db2.gz HSTOIOLZOOKHCY-QGZVFWFLSA-N -1 0 381.344 2.803 50 10 GFCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(OC)c1 ZINC000000843148 212188469 /nfs/dbraw/zinc/18/84/69/212188469.db2.gz AHXCATBYGKOQHP-LICLKQGHSA-N -1 0 380.400 2.987 50 10 GFCARM CCN1C(=O)C(=Cc2cccn2-c2ccc(C(=O)[O-])cc2)C(=O)N(CC)C1=S ZINC000005100572 220830217 /nfs/dbraw/zinc/83/02/17/220830217.db2.gz BMCMQTSRLXKLPN-UHFFFAOYSA-N -1 0 397.456 2.554 50 10 GFCARM S=C(NN=c1[n-]nnn1-c1ccccc1)Nc1ccc(Br)cc1 ZINC000012420677 221192009 /nfs/dbraw/zinc/19/20/09/221192009.db2.gz AYTOAHJYLCHUPK-UHFFFAOYSA-N -1 0 390.270 2.738 50 10 GFCARM COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(Cl)c1O ZINC000017299773 221382354 /nfs/dbraw/zinc/38/23/54/221382354.db2.gz AFZOKVHVTRDPGK-GHXNOFRVSA-N -1 0 388.832 2.886 50 10 GFCARM COC(=O)c1cc([N-]S(=O)(=O)c2cccc3nsnc32)ccc1Cl ZINC000019080092 221396124 /nfs/dbraw/zinc/39/61/24/221396124.db2.gz FIVGXHGUTRNVNE-UHFFFAOYSA-N -1 0 383.838 2.932 50 10 GFCARM O=C1[N-]N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(O)ccc1Br ZINC000004915987 551095674 /nfs/dbraw/zinc/09/56/74/551095674.db2.gz UKNOAPUDOSNGFF-JYRVWZFOSA-N -1 0 377.169 2.755 50 10 GFCARM COc1cc([N-]S(=O)(=O)c2cccc3nsnc32)cc(OC)c1OC ZINC000014223538 551110010 /nfs/dbraw/zinc/11/00/10/551110010.db2.gz LFYLJEWJXVSQJI-UHFFFAOYSA-N -1 0 381.435 2.518 50 10 GFCARM CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1 ZINC000100780541 570445261 /nfs/dbraw/zinc/44/52/61/570445261.db2.gz USWZLOJTTQJPQM-SFQUDFHCSA-N -1 0 382.420 2.700 50 10 GFCARM COc1cc(/C=C2\C(=O)[N-]N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1OC ZINC000001147479 570712409 /nfs/dbraw/zinc/71/24/09/570712409.db2.gz DMEUIXSICHHNQG-CXUHLZMHSA-N -1 0 382.416 2.791 50 10 GFCARM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNN1CCCC[C@@H]1c1cccnc1 ZINC000017028389 570924699 /nfs/dbraw/zinc/92/46/99/570924699.db2.gz DYBVBFWXWUSFAQ-TXQCQQFXSA-N -1 0 395.419 2.709 50 10 GFCARM Cn1cccc1/C=C1/C(=O)[N-]C(=S)N(c2ccc(Br)cc2)C1=O ZINC000016212219 654516340 /nfs/dbraw/zinc/51/63/40/654516340.db2.gz UTAQJXZNLLVRFC-LCYFTJDESA-N -1 0 390.262 2.619 50 10 GFCARM CN1C(=O)[N-]C(=O)/C(=C\c2ccc3c(c2)CCCN3Cc2ccccc2)C1=O ZINC000009016149 221068031 /nfs/dbraw/zinc/06/80/31/221068031.db2.gz RUZKFRUPDCHLPI-QGOAFFKASA-N -1 0 375.428 2.731 50 10 GFCARM CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(CCc3ccc(F)cc3)C2=O)cc1 ZINC000013522459 221270681 /nfs/dbraw/zinc/27/06/81/221270681.db2.gz KUSRNXBGTZNERI-AQTBWJFISA-N -1 0 382.391 2.929 50 10 GFCARM C[C@@H]1CCc2cc(F)ccc2N1/C=C1/C(=O)[N-]C(=O)N(Cc2ccco2)C1=O ZINC000016212458 221359017 /nfs/dbraw/zinc/35/90/17/221359017.db2.gz UVLFMZMQJLIRMT-COOUDCDJSA-N -1 0 383.379 2.722 50 10 GFCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C(=O)OC)cc3)C2=O)cc1 ZINC000001161039 570759237 /nfs/dbraw/zinc/75/92/37/570759237.db2.gz JQBSNYJTHDPQBK-SFQUDFHCSA-N -1 0 378.384 2.702 50 10 GFCARM COc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(OC)c1OC ZINC000001288475 212234079 /nfs/dbraw/zinc/23/40/79/212234079.db2.gz HSIYTTYKFYMTCH-KAMYIIQDSA-N -1 0 398.440 2.955 50 10 GFCARM Cc1oc2c(ccc([O-])c2CN2CCN(CCO)CC2)c(=O)c1-c1ccccc1 ZINC000020393001 212150894 /nfs/dbraw/zinc/15/08/94/212150894.db2.gz APNVPTBUYXZFDT-UHFFFAOYSA-N -1 0 394.471 2.584 50 10 GFCARM COc1cc(/C=C2/SC(=S)N([C@H](C(=O)[O-])C(C)C)C2=O)cc(OC)c1O ZINC000026771504 570428653 /nfs/dbraw/zinc/42/86/53/570428653.db2.gz NBMMKPSIDCKDHT-WHGQRRHOSA-N -1 0 397.474 2.720 50 10 GFCARM COc1cc(/C=C2/SC(=S)N([C@@H](CCSC)C(=O)[O-])C2=O)ccc1O ZINC000001833461 570436776 /nfs/dbraw/zinc/43/67/76/570436776.db2.gz FYTQPPXGEPQUDL-XNFYSYIQSA-N -1 0 399.515 2.808 50 10 GFCARM O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000004587461 570922488 /nfs/dbraw/zinc/92/24/88/570922488.db2.gz VHVIOEMKQICLHH-QPEQYQDCSA-N -1 0 387.189 2.639 50 10 GFCARM O=C([O-])c1ccc(COc2cccc(C=C3C(=O)NC(=S)NC3=O)c2)cc1 ZINC000020234066 570944890 /nfs/dbraw/zinc/94/48/90/570944890.db2.gz PDHDONPEVPSFGW-UHFFFAOYSA-N -1 0 382.397 2.718 50 10 GFCARM CCOc1cc2c(cc1/C=C1\SC(=S)N(CC(=O)[O-])C1=O)O[C@H](C)C2 ZINC000006625662 654456836 /nfs/dbraw/zinc/45/68/36/654456836.db2.gz WASNYOKAAQVGLW-UGHKADQRSA-N -1 0 379.459 2.695 50 10 GFCARM Cc1c(C(=O)[O-])cccc1-c1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)o1 ZINC000004676059 220745178 /nfs/dbraw/zinc/74/51/78/220745178.db2.gz PKKCDQXMYRUVAW-UHFFFAOYSA-N -1 0 384.413 2.552 50 10 GFCARM C[C@@H](CCc1ccccc1)NC=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000008239600 221033277 /nfs/dbraw/zinc/03/32/77/221033277.db2.gz GMGQCBGFLHBXEV-TWQQJCIXSA-N -1 0 377.444 2.760 50 10 GFCARM COc1cc(/C=C2\SC(N3CCCCC3)=NC2=O)ccc1OCC(=O)[O-] ZINC000015015249 221326006 /nfs/dbraw/zinc/32/60/06/221326006.db2.gz JAFHWXCMFDGRTA-GDNBJRDFSA-N -1 0 376.434 2.615 50 10 GFCARM O=S(=O)([N-]c1cccc(-c2nnc3n2CCC3)c1)c1cccc2nsnc21 ZINC000019079939 221396844 /nfs/dbraw/zinc/39/68/44/221396844.db2.gz GGWGRZXNIAOQGD-UHFFFAOYSA-N -1 0 398.473 2.697 50 10 GFCARM Cn1c(=O)c(C2=NNC(=O)C2=Cc2cccc(Cl)c2)c([O-])c2ccccc21 ZINC000100260922 534668639 /nfs/dbraw/zinc/66/86/39/534668639.db2.gz JBRRATZUUZJVTM-UVTDQMKNSA-N -1 0 379.803 2.815 50 10 GFCARM O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1 ZINC000000820703 527081540 /nfs/dbraw/zinc/08/15/40/527081540.db2.gz HDRIFAADNVKOHV-LDADJPATSA-N -1 0 383.835 2.638 50 10 GFCARM COc1cc2c(cc1/C=C1\C(=O)[N-]C(=S)N(c3cccc(C)c3)C1=O)OCO2 ZINC000001134953 570246995 /nfs/dbraw/zinc/24/69/95/570246995.db2.gz AJVXTWCIANLWRV-VGOFMYFVSA-N -1 0 396.424 2.564 50 10 GFCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccn1-c1ccc(O)cc1 ZINC000004106904 570357311 /nfs/dbraw/zinc/35/73/11/570357311.db2.gz ZKIVMTMFDDZJNS-PDGQHHTCSA-N -1 0 391.358 2.988 50 10 GFCARM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc3c(cc2OC)OCO3)C1=O ZINC000004680557 570392474 /nfs/dbraw/zinc/39/24/74/570392474.db2.gz FCOXWOSKWXBGFB-ZSOIEALJSA-N -1 0 394.383 2.653 50 10 GFCARM O=C([N-]N1C(=O)/C(=C/c2ccccn2)SC1=S)c1ccccc1[N+](=O)[O-] ZINC000001840014 212258937 /nfs/dbraw/zinc/25/89/37/212258937.db2.gz LYIVZYXQHHRNNO-LCYFTJDESA-N -1 0 386.414 2.536 50 10 GFCARM O=C([O-])c1cccc(-c2ccc(/C=C3/SC(N4CCOCC4)=NC3=O)o2)c1 ZINC000001900482 212258136 /nfs/dbraw/zinc/25/81/36/212258136.db2.gz CWFRADDHERLURN-LFIBNONCSA-N -1 0 384.413 2.947 50 10 GFCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(Br)cc2F)SC1=S ZINC000013343809 212116679 /nfs/dbraw/zinc/11/66/79/212116679.db2.gz NWPHAWCVQADSIZ-YCRREMRBSA-N -1 0 376.228 2.874 50 10 GFCARM C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C=C2C(=O)NC(=S)NC2=O)[C@@H](C)C1 ZINC000015188038 221333966 /nfs/dbraw/zinc/33/39/66/221333966.db2.gz DCZRQFCWXNFUKS-MNOVXSKESA-N -1 0 388.449 2.974 50 10 GFCARM C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C=C2C(=O)NC(=S)NC2=O)[C@@H](C)C1 ZINC000015188040 221334220 /nfs/dbraw/zinc/33/42/20/221334220.db2.gz DCZRQFCWXNFUKS-QWRGUYRKSA-N -1 0 388.449 2.974 50 10 GFCARM O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C\c1cc(Br)cs1 ZINC000015013800 221325993 /nfs/dbraw/zinc/32/59/93/221325993.db2.gz NIZOPVCYWPMPLS-WZUFQYTHSA-N -1 0 378.207 2.572 50 10 GFCARM CCN(CC)c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccnc3)C2=O)c(OC)c1 ZINC000015013731 221326293 /nfs/dbraw/zinc/32/62/93/221326293.db2.gz UZIYBHIKNPOVEA-BOPFTXTBSA-N -1 0 394.431 2.603 50 10 GFCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000100639937 136189112 /nfs/dbraw/zinc/18/91/12/136189112.db2.gz IOHDSLPSPLYFEA-XFXZXTDPSA-N -1 0 386.751 2.827 50 10 GFCARM O=C([O-])c1cc(O)ccc1NC(=O)c1cccc(I)c1 ZINC000004870331 551095123 /nfs/dbraw/zinc/09/51/23/551095123.db2.gz FMUKMKSGGOKAGC-UHFFFAOYSA-N -1 0 383.141 2.947 50 10 GFCARM COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000002903134 570317819 /nfs/dbraw/zinc/31/78/19/570317819.db2.gz RXEBJZCOYUMARX-UHFFFAOYSA-N -1 0 397.343 2.772 50 10 GFCARM Cc1[n-]n([C@@H]2CCS(=O)(=O)C2)c(=O)c1C=Nc1cc(Cl)ccc1Cl ZINC000101484432 570824572 /nfs/dbraw/zinc/82/45/72/570824572.db2.gz RVQBTQXXYRVUMS-LAPSENCUSA-N -1 0 388.276 2.694 50 10 GFCARM CN1C(=O)[N-]C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C1=O ZINC000005061461 654446240 /nfs/dbraw/zinc/44/62/40/654446240.db2.gz QOZTWCYGSXDEOB-WQLSENKSSA-N -1 0 375.178 2.801 50 10 GFCARM