smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CSc1nnc(NN=Cc2cc(Br)ccc2O)[n-]1)NCc1ccc(F)cc1 ZINC000020457868 527048678 /nfs/dbraw/zinc/04/86/78/527048678.db2.gz IHIHRDCRERSBEX-LSFURLLWSA-N -1 1 479.335 3.266 40 30 JGEBMM CC(=NNc1nnc(SCCC(=O)Nc2cccc(N3CCCC3=O)c2)[n-]1)c1ccccn1 ZINC000020159939 555677065 /nfs/dbraw/zinc/67/70/65/555677065.db2.gz VNAZRXPNPWINKJ-CVKSISIWSA-N -1 1 464.555 3.284 40 30 JGEBMM C=CCc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc(OC)c1OCC(=O)[O-] ZINC000059679107 569607460 /nfs/dbraw/zinc/60/74/60/569607460.db2.gz JXGHYCQQFMZKOM-WOJGMQOQSA-N -1 1 480.542 3.335 40 30 JGEBMM N/N=C(\C(=O)Nc1cccc(Cl)c1)[C@H](C(=O)c1ccc([O-])cc1O)[C@@H]1OC(=O)c2ccccc21 ZINC000104291076 569844771 /nfs/dbraw/zinc/84/47/71/569844771.db2.gz KMBSUMWQGOTQHW-AQIFKZQXSA-N -1 1 479.876 3.415 40 30 JGEBMM C=CCN1C(=O)/C(=C/c2cn(CC(=O)Nc3cccc(C)c3)c3ccccc23)C(=O)[N-]C1=S ZINC000408902690 570069380 /nfs/dbraw/zinc/06/93/80/570069380.db2.gz PYCGJMAQXSAQNL-DEDYPNTBSA-N -1 1 458.543 3.401 40 30 JGEBMM C=CCN1C(=O)/C(=C/c2cc(Br)c(OC)c(Br)c2)C(=O)[N-]C1=S ZINC000408902878 570069582 /nfs/dbraw/zinc/06/95/82/570069582.db2.gz MTZLOIRHSXEPLJ-WEVVVXLNSA-N -1 1 460.147 3.033 40 30 JGEBMM C/N=C1/S/C(=C\c2cc(Br)cc(I)c2[O-])C(=O)N1C ZINC000408929169 570079334 /nfs/dbraw/zinc/07/93/34/570079334.db2.gz HYUCNULNSJRJOT-UMMGRLDJSA-N -1 1 453.099 3.291 40 30 JGEBMM CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/c2ccc([O-])c(I)c2)S1 ZINC000409089491 570124289 /nfs/dbraw/zinc/12/42/89/570124289.db2.gz JHHCAERBLBSJSV-LCYFTJDESA-N -1 1 487.315 3.345 40 30 JGEBMM COc1ccc(NC(=O)CSc2nnc(NN=C(C)c3ccc(OC)cc3OC)[n-]2)cc1 ZINC000020159904 555676869 /nfs/dbraw/zinc/67/68/69/555676869.db2.gz DUPKXINAKZFMBS-ZMOGYAJESA-N -1 1 456.528 3.397 40 30 JGEBMM CCCCCCCCOc1cc([O-])c2c(=O)c(-c3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc3)coc2c1 ZINC000238900801 570047540 /nfs/dbraw/zinc/04/75/40/570047540.db2.gz KCTBPHHYESJCDU-APUDOPIFSA-N -1 1 544.597 3.084 40 30 JGEBMM C=CCOc1c(Br)cc(/C=N/[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OC ZINC000408837986 570053277 /nfs/dbraw/zinc/05/32/77/570053277.db2.gz QDXMLQLWJDYTPW-YBFXNURJSA-N -1 1 470.301 3.243 40 30 JGEBMM C=CCN1C(=O)/C(=C/c2cn(CC(=O)Nc3ccc(C)cc3)c3ccccc23)C(=O)[N-]C1=S ZINC000408901870 570068923 /nfs/dbraw/zinc/06/89/23/570068923.db2.gz IDICOBPRJLMKLO-DEDYPNTBSA-N -1 1 458.543 3.401 40 30 JGEBMM C=CCc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3CC)C2=O)cc(OC)c1OCC(=O)[O-] ZINC000059302431 195397190 /nfs/dbraw/zinc/39/71/90/195397190.db2.gz JEILPSRRVXCNIB-LDADJPATSA-N -1 1 480.542 3.281 40 30 JGEBMM CCOc1cccc(NC(=O)CSc2nnc(NN=C(C)c3ccc4c(c3)OCO4)[n-]2)c1 ZINC000020189844 555691176 /nfs/dbraw/zinc/69/11/76/555691176.db2.gz GDAKBZYKWDDXET-ZMOGYAJESA-N -1 1 454.512 3.499 40 30 JGEBMM COc1cccc(C=NNc2nnc(SCC(=O)Nc3ccccc3Br)[n-]2)c1O ZINC000020274570 555749667 /nfs/dbraw/zinc/74/96/67/555749667.db2.gz FNICMGRWQKWATE-AWQFTUOYSA-N -1 1 477.344 3.458 40 30 JGEBMM COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1OC(=O)C[C@H]1SC(=O)[N-]C1=O ZINC000028295071 556330294 /nfs/dbraw/zinc/33/02/94/556330294.db2.gz KDKTYXJSMUCYRC-PPAWOMOGSA-N -1 1 456.505 3.398 40 30 JGEBMM COc1cc(C=[NH+][N-]c2nc3ccccc3s2)ccc1OC(=O)C[C@H]1SC(=O)[N-]C1=O ZINC000028295071 556330298 /nfs/dbraw/zinc/33/02/98/556330298.db2.gz KDKTYXJSMUCYRC-PPAWOMOGSA-N -1 1 456.505 3.398 40 30 JGEBMM CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1OCC(=O)Nc1ccccc1C#N ZINC000408604539 569970511 /nfs/dbraw/zinc/97/05/11/569970511.db2.gz KDBUWMNABLPTPU-CSKARUKUSA-N -1 1 477.433 3.254 40 30 JGEBMM Ic1ccc(C=N[N-]c2nc(Nc3ccccc3)nc(N3CCCC3)n2)o1 ZINC000408727822 570028415 /nfs/dbraw/zinc/02/84/15/570028415.db2.gz SFSWNPVIOKOABY-UDWIEESQSA-N -1 1 475.294 3.281 40 30 JGEBMM CCCCCCCCOc1cc([O-])c2c(=O)c(-c3ccc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)coc2c1 ZINC000238900803 570047632 /nfs/dbraw/zinc/04/76/32/570047632.db2.gz KCTBPHHYESJCDU-ZZSLVBTLSA-N -1 1 544.597 3.084 40 30 JGEBMM COc1ccc(C(=O)C2C(=O)C(=O)N(CCCC(=O)[O-])[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000006529940 554548930 /nfs/dbraw/zinc/54/89/30/554548930.db2.gz LSLMJSAVEPTQDS-NRFANRHFSA-N -1 1 455.463 3.156 40 30 JGEBMM C=CCN1C(=O)/C(=C/c2cc(Br)c(O[C@@H](C)CC)c(OC)c2)C(=O)[N-]C1=S ZINC000408901270 570068605 /nfs/dbraw/zinc/06/86/05/570068605.db2.gz CVUDTECHTNHYKN-ZWSXMNCCSA-N -1 1 453.358 3.448 40 30 JGEBMM C=CCN1C(=O)/C(=C/c2cc(Br)c(OC(C)C)c(OCC)c2)C(=O)[N-]C1=S ZINC000408901431 570068717 /nfs/dbraw/zinc/06/87/17/570068717.db2.gz FDXZUFKUPHTTJJ-MDWZMJQESA-N -1 1 453.358 3.448 40 30 JGEBMM C=CCOc1c(I)cc(C=C2C(=O)[N-]C(=S)N(CC=C)C2=O)cc1OCC ZINC000408902055 570069131 /nfs/dbraw/zinc/06/91/31/570069131.db2.gz KCYQAZXLEZZOKD-UKTHLTGXSA-N -1 1 498.342 3.067 40 30 JGEBMM C=CCN1C(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C(=O)[N-]C1=S ZINC000408902899 570069551 /nfs/dbraw/zinc/06/95/51/570069551.db2.gz NFUOZSONPKZFQY-LDADJPATSA-N -1 1 467.503 3.385 40 30 JGEBMM C=CCN1C(=O)/C(=C/c2cc(OCC)c(O)c(Br)c2Br)C(=O)[N-]C1=S ZINC000408903492 570069972 /nfs/dbraw/zinc/06/99/72/570069972.db2.gz YOZVUAPOTVOWKP-RMKNXTFCSA-N -1 1 490.173 3.129 40 30 JGEBMM C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C(=O)OC)ccc3Cl)c2C)C(=O)[N-]C1=S ZINC000408903618 570070140 /nfs/dbraw/zinc/07/01/40/570070140.db2.gz UPMOCSISLJSTHE-MHWRWJLKSA-N -1 1 457.939 3.347 40 30 JGEBMM COc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(Br)c1OCc1ccccc1C#N ZINC000408915497 570075236 /nfs/dbraw/zinc/07/52/36/570075236.db2.gz WJENACIAKLPQEM-VIZOYTHASA-N -1 1 486.347 3.165 40 30 JGEBMM C=CCc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409083206 570122181 /nfs/dbraw/zinc/12/21/81/570122181.db2.gz UUSANHYQJRNHDE-UHFFFAOYSA-N -1 1 498.473 3.337 40 30 JGEBMM C=CCc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(OCC)c1O ZINC000409189805 570161520 /nfs/dbraw/zinc/16/15/20/570161520.db2.gz SXSKXMRFRLAXSA-GZTJUZNOSA-N -1 1 452.488 3.049 40 30 JGEBMM COc1cc(OC)c([C@@H]2c3c(=O)[n-]c(N4CCCCC4)nc3NC3=C2C(=O)CCC3)cc1OC ZINC000022607079 522832910 /nfs/dbraw/zinc/83/29/10/522832910.db2.gz VSNMXURBWNSMDK-FQEVSTJZSA-N -1 1 466.538 3.351 40 30 JGEBMM N/N=C(/C(=O)Nc1cccc(Cl)c1)[C@H](C(=O)c1ccc([O-])cc1O)[C@@H]1OC(=O)c2ccccc21 ZINC000008653543 526816590 /nfs/dbraw/zinc/81/65/90/526816590.db2.gz KMBSUMWQGOTQHW-ALVMDKOJSA-N -1 1 479.876 3.415 40 30 JGEBMM COCc1cc(C)nc(N=NCc2cc(I)c([O-])c([N+](=O)[O-])c2)c1C#N ZINC000059503522 569606353 /nfs/dbraw/zinc/60/63/53/569606353.db2.gz NOGJMPWIDGCQEB-FBCYGCLPSA-N -1 1 467.223 3.073 40 30 JGEBMM C=CCc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1OCC(=O)[O-] ZINC000059678394 569607474 /nfs/dbraw/zinc/60/74/74/569607474.db2.gz DGZGSRMQBBAAMQ-YBFXNURJSA-N -1 1 480.542 3.335 40 30 JGEBMM O=C([N-]S(=O)(=O)c1ccc(CCNC(=O)NC2CCCCC2)cc1)NC1CCCCC1 ZINC000077286207 569705487 /nfs/dbraw/zinc/70/54/87/569705487.db2.gz FYNBBKUBRFUWKU-UHFFFAOYSA-N -1 1 450.605 3.386 40 30 in-vitro JGEBMM O=C(NCCc1ccc(S(=O)(=O)N=C([O-])NC2CCCCC2)cc1)NC1CCCCC1 ZINC000077286207 569705488 /nfs/dbraw/zinc/70/54/88/569705488.db2.gz FYNBBKUBRFUWKU-UHFFFAOYSA-N -1 1 450.605 3.386 40 30 in-vitro JGEBMM C=CCN1C(=O)/C(=C\c2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)C(=O)[N-]C1=S ZINC000108281975 569859413 /nfs/dbraw/zinc/85/94/13/569859413.db2.gz RSAYUDBRQILKBD-MOSHPQCFSA-N -1 1 459.527 3.289 40 30 JGEBMM Cc1ccc(NN=c2[n-]c3nonc3nc2N=NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000408720771 570026552 /nfs/dbraw/zinc/02/65/52/570026552.db2.gz CXVVPURQSHKMJT-FMCGGJTJSA-N -1 1 471.437 3.218 40 30 JGEBMM CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2C#N)C(=O)[N-]C1=S ZINC000408910115 570072166 /nfs/dbraw/zinc/07/21/66/570072166.db2.gz JEWDIVBQCHCPNU-CXUHLZMHSA-N -1 1 456.321 3.156 40 30 JGEBMM C=CCc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408911822 570073162 /nfs/dbraw/zinc/07/31/62/570073162.db2.gz DOWJBZABDCZLOJ-WOJGMQOQSA-N -1 1 467.503 3.167 40 30 JGEBMM C=CCc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc(OC)c1OCC(=O)[O-] ZINC000059248619 195395807 /nfs/dbraw/zinc/39/58/07/195395807.db2.gz RNXOJYZJRRQNIO-GZTJUZNOSA-N -1 1 466.515 3.027 40 30 JGEBMM COc1ccc(C=NN=c2nc(NN=Cc3ccc(OC)cc3OC)c(C)n[n-]2)c(OC)c1 ZINC000027579481 556299939 /nfs/dbraw/zinc/29/99/39/556299939.db2.gz ODSRCVCAZJZMIR-MPDMMBQKSA-N -1 1 451.487 3.106 40 30 JGEBMM COc1ccc(NC(=O)/C(Cc2cc(=O)oc3cc([O-])ccc23)=N/NC(C)(C)C)c(OC)c1 ZINC000104290982 569844819 /nfs/dbraw/zinc/84/48/19/569844819.db2.gz CIGRQOQEUYOPIT-LGUFXXKBSA-N -1 1 453.495 3.441 40 30 JGEBMM CC(=NNc1nnc(SCC(=O)Nc2nnc(SCC(C)C)s2)[n-]1)c1cccnc1 ZINC000137455878 569864936 /nfs/dbraw/zinc/86/49/36/569864936.db2.gz UGDFKSLEUSCYLQ-SRZZPIQSSA-N -1 1 463.618 3.366 40 30 JGEBMM C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)C(=O)[N-]C1=S ZINC000408901915 570068892 /nfs/dbraw/zinc/06/88/92/570068892.db2.gz IVBITIPSKQCSJC-GZTJUZNOSA-N -1 1 469.950 3.479 40 30 JGEBMM C=CCOc1cc(Br)c(C=C2C(=O)[N-]C(=S)N(CC=C)C2=O)cc1OCC ZINC000408903180 570069879 /nfs/dbraw/zinc/06/98/79/570069879.db2.gz VFQUQAYJKULBKL-UKTHLTGXSA-N -1 1 451.342 3.225 40 30 JGEBMM CCOc1cc(C2C3=C(CCCC3=O)N(CC(=O)[O-])C3=C2C(=O)CCC3)cc([N+](=O)[O-])c1O ZINC000409030328 570105710 /nfs/dbraw/zinc/10/57/10/570105710.db2.gz DAGJYDOLRVFVSO-UHFFFAOYSA-N -1 1 456.451 3.197 40 30 JGEBMM C=CCc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)cc(OC)c1OCC(=O)[O-] ZINC000059303455 195397216 /nfs/dbraw/zinc/39/72/16/195397216.db2.gz QHSWYOXPLXYCON-WOJGMQOQSA-N -1 1 466.515 3.027 40 30 JGEBMM CCOC(=O)c1sc(NC(=O)CSc2nnc(NN=Cc3cccs3)[n-]2)c(C#N)c1C ZINC000020167971 555678384 /nfs/dbraw/zinc/67/83/84/555678384.db2.gz QLUIJDRTAJLUOM-DNTJNYDQSA-N -1 1 475.581 3.461 40 30 JGEBMM CCC1=C(C)CN(C(=O)NCCc2cccc(S(=O)(=O)[N-]C(=O)NC3CCC(C)CC3)c2)C1=O ZINC000067665082 569688896 /nfs/dbraw/zinc/68/88/96/569688896.db2.gz XBXROPCBZLGQMA-UHFFFAOYSA-N -1 1 490.626 3.278 40 30 in-vitro JGEBMM CCC1=C(C)CN(C(=O)NCCc2cccc(S(=O)(=O)N=C([O-])NC3CCC(C)CC3)c2)C1=O ZINC000067665082 569688897 /nfs/dbraw/zinc/68/88/97/569688897.db2.gz XBXROPCBZLGQMA-UHFFFAOYSA-N -1 1 490.626 3.278 40 30 in-vitro JGEBMM COC(=O)c1ccccc1NC(=O)C([O-])=CC(=O)c1ccccc1NC1=CC(=O)C(=O)c2ccccc21 ZINC000100721684 569767798 /nfs/dbraw/zinc/76/77/98/569767798.db2.gz JFFOWURHYJMMST-UHFFFAOYSA-N -1 1 496.475 3.472 40 30 JGEBMM CN(C)c1nc(NCc2ccccc2)nc([N-]N=Cc2ccc(-c3ccccc3C(=O)[O-])o2)[nH+]1 ZINC000408718431 570026025 /nfs/dbraw/zinc/02/60/25/570026025.db2.gz NTBAKSDTAAZBMH-CVKSISIWSA-N -1 1 457.494 3.376 40 30 JGEBMM C=CCOc1c(Br)cc(C=C2C(=O)[N-]C(=S)N(CC=C)C2=O)cc1OCC ZINC000408902623 570069467 /nfs/dbraw/zinc/06/94/67/570069467.db2.gz OWXBZDXBSHNWDJ-UKTHLTGXSA-N -1 1 451.342 3.225 40 30 JGEBMM CCOc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000408914575 570074716 /nfs/dbraw/zinc/07/47/16/570074716.db2.gz YLZDMMZUFIIWEU-LZYBPNLTSA-N -1 1 455.923 3.446 40 30 JGEBMM O=C([O-])c1ccccc1NS(=O)(=O)c1ccc(N=NCc2ccccc2O)c([N+](=O)[O-])c1 ZINC000013527887 555488070 /nfs/dbraw/zinc/48/80/70/555488070.db2.gz VXPDJUFYBKDIAT-CIAFOILYSA-N -1 1 456.436 3.245 40 30 JGEBMM Cc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3[O-])=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000020309327 555766161 /nfs/dbraw/zinc/76/61/61/555766161.db2.gz VOHXPHRGSWYOBF-HSZRJFAPSA-N -1 1 450.535 3.310 40 30 JGEBMM C=CCc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OCC(=O)[O-] ZINC000059679246 569607552 /nfs/dbraw/zinc/60/75/52/569607552.db2.gz FHWDUWJPAFUHEQ-RQZCQDPDSA-N -1 1 486.933 3.372 40 30 JGEBMM CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1OCC(=O)Nc1ccc(C#N)cc1 ZINC000408608146 569971773 /nfs/dbraw/zinc/97/17/73/569971773.db2.gz VECGKEAMAASSSN-UXBLZVDNSA-N -1 1 477.433 3.254 40 30 JGEBMM C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)C(=O)[N-]C1=S ZINC000408902934 570069616 /nfs/dbraw/zinc/06/96/16/570069616.db2.gz SLAGDZRBBIXALT-MHWRWJLKSA-N -1 1 473.913 3.309 40 30 JGEBMM C=CCc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1OCC(=O)[O-] ZINC000059302635 195397228 /nfs/dbraw/zinc/39/72/28/195397228.db2.gz WLPKBRGLOIMEDJ-YBFXNURJSA-N -1 1 480.542 3.335 40 30 JGEBMM C=CCc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(OCC)c3)C2=O)cc(OC)c1OCC(=O)[O-] ZINC000059302224 195397379 /nfs/dbraw/zinc/39/73/79/195397379.db2.gz HYDKUGAECNMVBN-YBFXNURJSA-N -1 1 496.541 3.117 40 30 JGEBMM CC(=NNc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000020159906 555676981 /nfs/dbraw/zinc/67/69/81/555676981.db2.gz WAEKMZJVQDOXDU-FSJBWODESA-N -1 1 469.483 3.051 40 30 JGEBMM Cc1ncc(CO)c(CN=Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2[N+](=O)[O-])c1O ZINC000025388372 556211479 /nfs/dbraw/zinc/21/14/79/556211479.db2.gz PCUVDBISTCLDSF-AUEPDCJTSA-N -1 1 491.913 3.396 40 30 JGEBMM N/N=C(\C(=O)Nc1cccc(Cl)c1)[C@H](C(=O)c1ccc([O-])cc1O)[C@H]1OC(=O)c2ccccc21 ZINC000104291082 569844786 /nfs/dbraw/zinc/84/47/86/569844786.db2.gz KMBSUMWQGOTQHW-CVNAMHLESA-N -1 1 479.876 3.415 40 30 JGEBMM C=CCN1C(=O)/C(=C/c2cc(OC)c(OCc3cccc(F)c3)c(OC)c2)C(=O)[N-]C1=S ZINC000111507805 569860982 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O=[N+]([O-])c1cc(C=NN=c2nc(Nc3cccc(Cl)c3)[nH]c(N3CCOCC3)n2)ccc1[O-] ZINC000059639380 569607323 /nfs/dbraw/zinc/60/73/23/569607323.db2.gz MZMAKWOJFWTOMV-WSDLNYQXSA-N -1 1 470.877 3.165 40 30 JGEBMM Cc1ccc(NN=c2[n-]c3nonc3nc2N=NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000408720804 570026545 /nfs/dbraw/zinc/02/65/45/570026545.db2.gz DLZHOCGIGOEREO-FMCGGJTJSA-N -1 1 471.437 3.218 40 30 JGEBMM C=CCN1C(=O)/C(=C/c2cc(Br)c(O[C@H](C)CC)c(OC)c2)C(=O)[N-]C1=S ZINC000408901269 570068618 /nfs/dbraw/zinc/06/86/18/570068618.db2.gz CVUDTECHTNHYKN-KAQJVSAMSA-N -1 1 453.358 3.448 40 30 JGEBMM C=CCN1C(=O)/C(=C/c2cc(OC)c(O[C@H](C)CC)cc2Br)C(=O)[N-]C1=S ZINC000408902058 570069087 /nfs/dbraw/zinc/06/90/87/570069087.db2.gz KDIONKQRBDVKGL-KAQJVSAMSA-N -1 1 453.358 3.448 40 30 JGEBMM C=CCN1C(=O)/C(=C/c2cc(OCC)c(OC(C)C)cc2Br)C(=O)[N-]C1=S ZINC000408903476 570069998 /nfs/dbraw/zinc/06/99/98/570069998.db2.gz YJTVYTJHTPJNGW-MDWZMJQESA-N -1 1 453.358 3.448 40 30 JGEBMM