smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCSc1nnc([N-]C(=O)c2cnc(O[C@H]3CCOC3)c(Cl)c2)s1 ZINC000245020864 203813313 /nfs/dbraw/zinc/81/33/13/203813313.db2.gz MKSKLDPEKAUYBL-VIFPVBQESA-N -1 3 386.886 3.119 50 0 GGAAHM COC(=O)c1cc([N-]C(=O)c2c(C)onc2-c2ccccc2)cc(C(=O)OC)c1 ZINC000000917583 203865406 /nfs/dbraw/zinc/86/54/06/203865406.db2.gz JMPVAUWTUKOXKM-UHFFFAOYSA-N -1 3 394.383 3.476 50 0 GGAAHM CC(=O)Nc1ccc(Br)cc1[C@H](NCC(=O)[O-])c1ccccc1 ZINC000001470826 203912348 /nfs/dbraw/zinc/91/23/48/203912348.db2.gz MJTDXCOZEFLGKC-QGZVFWFLSA-N -1 3 377.238 3.171 50 0 GGAAHM CCOC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)Nc1cccc2ccccc21 ZINC000004317640 204038131 /nfs/dbraw/zinc/03/81/31/204038131.db2.gz ISIDXCADYKKTHX-UHFFFAOYSA-N -1 3 397.456 3.139 50 0 GGAAHM [O-]C(c1ccccc1)=C1[C@H](c2ccc(F)cc2)NC(=S)N[C@]1(O)C(F)(F)F ZINC000004338101 204039327 /nfs/dbraw/zinc/03/93/27/204039327.db2.gz FWOLYZZASPXYOH-GRDNDAEWSA-N -1 3 398.381 3.095 50 0 GGAAHM CCOCCCNC(=O)[C@H](NC(=O)c1ccccc1[O-])c1ccc(Cl)cc1 ZINC000003626109 204015630 /nfs/dbraw/zinc/01/56/30/204015630.db2.gz SQJXUSXKAHLLGN-GOSISDBHSA-N -1 3 390.867 3.060 50 0 GGAAHM O=S(=O)([N-]CCc1csc(-c2cccnc2)n1)c1ccc(Cl)s1 ZINC000004166897 204030010 /nfs/dbraw/zinc/03/00/10/204030010.db2.gz PAKABDYFIWAOCV-UHFFFAOYSA-N -1 3 385.923 3.441 50 0 GGAAHM O=S(=O)(c1ccccc1)N1NC(C2CCCCC2)=C[C@]1([O-])C(F)(F)F ZINC000004199228 204033365 /nfs/dbraw/zinc/03/33/65/204033365.db2.gz ZORCUXUIBSLCPX-HNNXBMFYSA-N -1 3 376.400 3.268 50 0 GGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCC3)c(C)c2)cc1 ZINC000004741122 204071843 /nfs/dbraw/zinc/07/18/43/204071843.db2.gz NPHOCQAHGDYZSX-UHFFFAOYSA-N -1 3 388.489 3.105 50 0 GGAAHM COc1ccccc1CCNC(=O)CCc1c(C)c2ccc([O-])c(C)c2oc1=O ZINC000004743468 204072343 /nfs/dbraw/zinc/07/23/43/204072343.db2.gz BDSWMVHKCAPIJB-UHFFFAOYSA-N -1 3 395.455 3.416 50 0 GGAAHM COc1ccccc1C([O-])=C1Nc2ccccc2-c2nnc(SC)nc2O1 ZINC000004755135 204073837 /nfs/dbraw/zinc/07/38/37/204073837.db2.gz SVRHZTFGWDYKCB-GOSISDBHSA-N -1 3 380.429 3.282 50 0 GGAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1ccccc1Cl ZINC000004879835 204085485 /nfs/dbraw/zinc/08/54/85/204085485.db2.gz LLZNCHRUWMVKQY-HNNXBMFYSA-N -1 3 386.926 3.021 50 0 GGAAHM O=c1c2ccccc2nc(/C=C/c2cc(Br)ccc2[O-])n1CCO ZINC000004438331 204045935 /nfs/dbraw/zinc/04/59/35/204045935.db2.gz SEZVCHSJLFZPTL-VMPITWQZSA-N -1 3 387.233 3.027 50 0 GGAAHM O=C(Nc1ccncc1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000004594326 204057079 /nfs/dbraw/zinc/05/70/79/204057079.db2.gz WAVXYAWFEHMBLB-UHFFFAOYSA-N -1 3 386.260 3.081 50 0 GGAAHM O=C(Nc1cccnc1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000004594320 204057185 /nfs/dbraw/zinc/05/71/85/204057185.db2.gz JGXJTBJXYRWPAG-UHFFFAOYSA-N -1 3 386.260 3.081 50 0 GGAAHM Cc1cc([O-])c(-c2n[nH]c3c2[C@H](c2ccccc2)N(CCO)C3=O)cc1Cl ZINC000005342038 204127422 /nfs/dbraw/zinc/12/74/22/204127422.db2.gz SFPKBNLNRJMOFY-IBGZPJMESA-N -1 3 383.835 3.282 50 0 GGAAHM CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccccc1[O-] ZINC000005001088 204101512 /nfs/dbraw/zinc/10/15/12/204101512.db2.gz WUNCEWDEDJKEIS-UHFFFAOYSA-N -1 3 384.461 3.410 50 0 GGAAHM COc1ccc(C2=NO[C@H](C(=O)Nc3cc(Br)ccc3[O-])C2)cc1 ZINC000005028945 204105246 /nfs/dbraw/zinc/10/52/46/204105246.db2.gz GHWRCTXXORKQLI-INIZCTEOSA-N -1 3 391.221 3.295 50 0 GGAAHM CC[C@@H](C)n1[n-]c(=O)c2c1NC(=O)CS[C@H]2c1ccc(OC)c(OC)c1 ZINC000005431115 204132594 /nfs/dbraw/zinc/13/25/94/204132594.db2.gz AUBHQGJUUQPJIK-HWPZZCPQSA-N -1 3 377.466 3.352 50 0 GGAAHM O=C(Nc1nccs1)c1c([O-])c2c(n(Cc3ccccc3)c1=O)CCCC2 ZINC000005522851 204137814 /nfs/dbraw/zinc/13/78/14/204137814.db2.gz MJBIPXLCEBMPOL-UHFFFAOYSA-N -1 3 381.457 3.190 50 0 GGAAHM CCN(CC)CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000006267365 204172733 /nfs/dbraw/zinc/17/27/33/204172733.db2.gz KTKZMJUYAGRSEA-UHFFFAOYSA-N -1 3 375.494 3.076 50 0 GGAAHM Cc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1 ZINC000006503584 204181561 /nfs/dbraw/zinc/18/15/61/204181561.db2.gz ZFRUHMKBOJVGGP-MPGHIAIKSA-N -1 3 378.350 3.099 50 0 GGAAHM COc1cccc(-c2nc(CC[N-]S(=O)(=O)c3cccs3)cs2)c1 ZINC000006663141 204190037 /nfs/dbraw/zinc/19/00/37/204190037.db2.gz OYTUHDDTILQVFZ-UHFFFAOYSA-N -1 3 380.516 3.401 50 0 GGAAHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NC1CCCCC1 ZINC000006700677 204192887 /nfs/dbraw/zinc/19/28/87/204192887.db2.gz IGEQOVNVMWCBRU-SNVBAGLBSA-N -1 3 379.309 3.109 50 0 GGAAHM O=C1[C@H]2C(C3=Cc4ccccc4OC3)=NOC2=C([O-])N1c1ccc(Cl)cc1 ZINC000006719906 204194273 /nfs/dbraw/zinc/19/42/73/204194273.db2.gz GOIIBFXDGCSVKX-FUHWJXTLSA-N -1 3 380.787 3.060 50 0 GGAAHM COc1ccccc1C1=NO[C@@H](C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000006738285 204197026 /nfs/dbraw/zinc/19/70/26/204197026.db2.gz XLGLUPMRHXMNGQ-MRXNPFEDSA-N -1 3 391.221 3.295 50 0 GGAAHM COc1ccc(NC(=N)Nc2nc(C)c(Cc3ccccc3)c(=O)[n-]2)c(OC)c1 ZINC000008993226 204295080 /nfs/dbraw/zinc/29/50/80/204295080.db2.gz DRUVSFDFKWQWKG-UHFFFAOYSA-N -1 3 393.447 3.145 50 0 GGAAHM Cc1ccc(-n2nnnc2SCC(=O)Nc2c([O-])cccc2Cl)cc1C ZINC000009038872 204296431 /nfs/dbraw/zinc/29/64/31/204296431.db2.gz JIPOPJUPFXLKKS-UHFFFAOYSA-N -1 3 389.868 3.369 50 0 GGAAHM CCn1c(SCC(=O)Nc2ncc(C)s2)nnc1-c1ccccc1[O-] ZINC000008391512 204276106 /nfs/dbraw/zinc/27/61/06/204276106.db2.gz VVNWSYMVFHRNHP-UHFFFAOYSA-N -1 3 375.479 3.166 50 0 GGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1C(=O)N1CCCC1 ZINC000008560381 204279618 /nfs/dbraw/zinc/27/96/18/204279618.db2.gz MVMQCAVZGDWHFC-UHFFFAOYSA-N -1 3 396.415 3.010 50 0 GGAAHM O=C(C[N-]S(=O)(=O)Cc1ccc(Cl)cc1)Nc1ccc(F)c(Cl)c1 ZINC000036106251 204305627 /nfs/dbraw/zinc/30/56/27/204305627.db2.gz WKDYLRQMFPFPKM-UHFFFAOYSA-N -1 3 391.251 3.191 50 0 GGAAHM COc1ccccc1N1CCN(c2nc(-c3ccc(Cl)cc3)cc(=O)[n-]2)CC1 ZINC000009614643 204318564 /nfs/dbraw/zinc/31/85/64/204318564.db2.gz VIMPUDIACUIMTJ-UHFFFAOYSA-N -1 3 396.878 3.426 50 0 GGAAHM Cc1ccc(Cc2c(C)nc(N3CCN(c4ccccc4F)CC3)[n-]c2=O)cc1 ZINC000009625940 204318612 /nfs/dbraw/zinc/31/86/12/204318612.db2.gz HUDREZCUEKLIOG-UHFFFAOYSA-N -1 3 392.478 3.443 50 0 GGAAHM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1C(=O)N1CCCC1 ZINC000009684287 204319349 /nfs/dbraw/zinc/31/93/49/204319349.db2.gz MNKRSJUEORSVOR-UHFFFAOYSA-N -1 3 399.875 3.461 50 0 GGAAHM CC(=O)c1sc([N-]C(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)nc1C ZINC000011916819 204362004 /nfs/dbraw/zinc/36/20/04/204362004.db2.gz IKLMKTYMKMXUHP-UHFFFAOYSA-N -1 3 385.401 3.333 50 0 GGAAHM CCOC(=O)[C@]1(CCOC)CCCN(Cc2cc(Cl)c([O-])c(OC)c2)C1 ZINC000012195635 204381331 /nfs/dbraw/zinc/38/13/31/204381331.db2.gz QFQYHCHEQOYXLX-IBGZPJMESA-N -1 3 385.888 3.236 50 0 GGAAHM CC(C)CCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1ccc(F)cc1)C3 ZINC000019821159 204687901 /nfs/dbraw/zinc/68/79/01/204687901.db2.gz QKTATTLQOZIDFO-AWEZNQCLSA-N -1 3 395.434 3.183 50 0 GGAAHM Cc1noc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)[N-]c3nncs3)c12 ZINC000036618329 205018882 /nfs/dbraw/zinc/01/88/82/205018882.db2.gz FHGPCAVIEMPIIP-UHFFFAOYSA-N -1 3 381.373 3.031 50 0 GGAAHM O=S(=O)([N-]C[C@](O)(c1ccccc1)C(F)(F)F)c1ccc(F)c(Cl)c1 ZINC000070636472 205023605 /nfs/dbraw/zinc/02/36/05/205023605.db2.gz IUIJUWZJGIZDEH-AWEZNQCLSA-N -1 3 397.777 3.208 50 0 GGAAHM O=C([N-]c1nc2c(s1)CCCC2)c1nnn(-c2ccc(C(F)(F)F)cc2)n1 ZINC000077100356 205032561 /nfs/dbraw/zinc/03/25/61/205032561.db2.gz AGTYBGVFGLKCBI-UHFFFAOYSA-N -1 3 394.382 3.269 50 0 GGAAHM COc1ccc(F)cc1S(=O)(=O)[N-]CCN1CCC(c2cccs2)CC1 ZINC000077104175 205033151 /nfs/dbraw/zinc/03/31/51/205033151.db2.gz LHNVOENMVJSOLN-UHFFFAOYSA-N -1 3 398.525 3.054 50 0 GGAAHM O=S(=O)([N-]C1(c2nc(-c3cccnc3)no2)CCCCC1)c1cccs1 ZINC000077197487 205034452 /nfs/dbraw/zinc/03/44/52/205034452.db2.gz BOKWLHUMKSFORQ-UHFFFAOYSA-N -1 3 390.490 3.331 50 0 GGAAHM CCCCc1nnc([N-]C(=O)c2sc(N(C(C)=O)C3CC3)nc2C)s1 ZINC000040268029 205061280 /nfs/dbraw/zinc/06/12/80/205061280.db2.gz KTEZCDQJAJOYPC-UHFFFAOYSA-N -1 3 379.511 3.413 50 0 GGAAHM COc1ccc2ccccc2c1CNC(=O)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000040284597 205061513 /nfs/dbraw/zinc/06/15/13/205061513.db2.gz OUSKMPPFBFYGSX-UHFFFAOYSA-N -1 3 384.819 3.462 50 0 GGAAHM O=C(NCc1ccco1)Nc1ccc(NC(=O)c2cc3c(cc2[O-])OCO3)cc1 ZINC000048314586 205119782 /nfs/dbraw/zinc/11/97/82/205119782.db2.gz ZPQOREZCUFTJPY-UHFFFAOYSA-N -1 3 395.371 3.288 50 0 GGAAHM Cc1nnc(NC(=O)c2cc(=O)c(OCc3ccccc3Cl)c[n-]2)s1 ZINC000049550987 205128167 /nfs/dbraw/zinc/12/81/67/205128167.db2.gz ZNJGCNLCZAGSKS-UHFFFAOYSA-N -1 3 376.825 3.432 50 0 GGAAHM Cc1ccc(OCCN(C)C(=O)CSc2nnc(-c3ccco3)[n-]2)c(C)c1 ZINC000055182516 205142620 /nfs/dbraw/zinc/14/26/20/205142620.db2.gz CKEZUBNOJZOUAH-UHFFFAOYSA-N -1 3 386.477 3.311 50 0 GGAAHM Cc1ccc(OCCN(C)C(=O)CSc2nc(-c3ccco3)n[n-]2)c(C)c1 ZINC000055182516 205142623 /nfs/dbraw/zinc/14/26/23/205142623.db2.gz CKEZUBNOJZOUAH-UHFFFAOYSA-N -1 3 386.477 3.311 50 0 GGAAHM Cc1ccc(OCCN(C)C(=O)CSc2n[n-]c(-c3ccco3)n2)c(C)c1 ZINC000055182516 205142627 /nfs/dbraw/zinc/14/26/27/205142627.db2.gz CKEZUBNOJZOUAH-UHFFFAOYSA-N -1 3 386.477 3.311 50 0 GGAAHM Cc1cc2nc(SCC(=O)Nc3cccc(Br)c3)[n-]c(=O)c2[nH]1 ZINC000057521016 205160195 /nfs/dbraw/zinc/16/01/95/205160195.db2.gz MLPHRVRHCYAZDT-UHFFFAOYSA-N -1 3 393.266 3.053 50 0 GGAAHM CSCc1noc(-c2nc3c([n-]2)C[C@@H](c2ccc(Cl)cc2)CNC3=O)n1 ZINC000065530815 205237579 /nfs/dbraw/zinc/23/75/79/205237579.db2.gz CUNWUKWJNLTKIA-SNVBAGLBSA-N -1 3 389.868 3.046 50 0 GGAAHM CSCc1noc(-c2nc3c([n-]2)C(=O)NC[C@H](c2ccc(Cl)cc2)C3)n1 ZINC000065530815 205237584 /nfs/dbraw/zinc/23/75/84/205237584.db2.gz CUNWUKWJNLTKIA-SNVBAGLBSA-N -1 3 389.868 3.046 50 0 GGAAHM COc1ccccc1Oc1ncccc1CNC(=O)c1ccc2n[n-]nc2c1 ZINC000067790505 205260765 /nfs/dbraw/zinc/26/07/65/205260765.db2.gz MAYBVBJWUYCGSC-UHFFFAOYSA-N -1 3 375.388 3.084 50 0 GGAAHM O=C(NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1)c1ccc([O-])cn1 ZINC000067856252 205265278 /nfs/dbraw/zinc/26/52/78/205265278.db2.gz JXQDTNPKZXGTKR-UHFFFAOYSA-N -1 3 389.390 3.308 50 0 GGAAHM O=C(NCc1nc(-c2ccccn2)c(-c2cccc(F)c2)[nH]1)c1ccc([O-])cn1 ZINC000067856252 205265279 /nfs/dbraw/zinc/26/52/79/205265279.db2.gz JXQDTNPKZXGTKR-UHFFFAOYSA-N -1 3 389.390 3.308 50 0 GGAAHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1sc(C)nc1C ZINC000090593064 205274210 /nfs/dbraw/zinc/27/42/10/205274210.db2.gz JLFQYFONVUSXBO-UHFFFAOYSA-N -1 3 391.312 3.010 50 0 GGAAHM CC(C)[C@H]1CN(C(=O)c2cccc([O-])c2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071524187 205285453 /nfs/dbraw/zinc/28/54/53/205285453.db2.gz UOIPUPYTPKNLPW-HXUWFJFHSA-N -1 3 384.451 3.431 50 0 GGAAHM CC(C)[C@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)CCC(=O)N1CC1CC1 ZINC000071730225 205287205 /nfs/dbraw/zinc/28/72/05/205287205.db2.gz HQLIYDBENKQAGC-LJQANCHMSA-N -1 3 381.476 3.050 50 0 GGAAHM CC[C@H]1CN(C(=O)c2cc(OC)ccc2[O-])CCC(=O)N1Cc1ccccc1 ZINC000071749652 205289743 /nfs/dbraw/zinc/28/97/43/205289743.db2.gz FMICJAPFDCGRRZ-KRWDZBQOSA-N -1 3 382.460 3.054 50 0 GGAAHM CC[C@H]1CN(C(=O)c2cccc(OC)c2[O-])CCC(=O)N1Cc1ccccc1 ZINC000071749076 205289939 /nfs/dbraw/zinc/28/99/39/205289939.db2.gz RFVUKSUNSIUSQK-KRWDZBQOSA-N -1 3 382.460 3.054 50 0 GGAAHM CC(C)CCN1c2ccccc2[C@]2(CC(=O)Nc3c2c(=O)[n-]n3C(C)C)C1=O ZINC000071280263 205279737 /nfs/dbraw/zinc/27/97/37/205279737.db2.gz PNTKHJGXITXOAV-NRFANRHFSA-N -1 3 382.464 3.428 50 0 GGAAHM COc1ccc(-c2nn3c(nnc3-c3cc(CC(C)C)n[n-]3)s2)c(OC)c1 ZINC000072333584 205325655 /nfs/dbraw/zinc/32/56/55/205325655.db2.gz MJEQMHSXWWEQKT-UHFFFAOYSA-N -1 3 384.465 3.459 50 0 GGAAHM COc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3cccc(C)c3[O-])C2)cc1OC ZINC000072146318 205310879 /nfs/dbraw/zinc/31/08/79/205310879.db2.gz QHBAFGOETOHYGF-MRXNPFEDSA-N -1 3 383.444 3.453 50 0 GGAAHM COc1ccc(N[C@H]2CCCN(C(=O)c3cc(=O)c4ccccc4[n-]3)C2)cc1 ZINC000072162103 205314176 /nfs/dbraw/zinc/31/41/76/205314176.db2.gz GIKFZPSOTLSGDM-INIZCTEOSA-N -1 3 377.444 3.253 50 0 GGAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C1(c2nc(C)no2)CCCCC1 ZINC000077197379 205356846 /nfs/dbraw/zinc/35/68/46/205356846.db2.gz KPMCAGUJFRLHAY-UHFFFAOYSA-N -1 3 385.873 3.178 50 0 GGAAHM O=C([O-])C1(Oc2ccc(Cl)cc2)CCN(Cc2cccc3nonc32)CC1 ZINC000077393218 205360211 /nfs/dbraw/zinc/36/02/11/205360211.db2.gz DYFRLUUMRCLFFQ-UHFFFAOYSA-N -1 3 387.823 3.374 50 0 GGAAHM [O-]c1ccc(CN2CCN(Cc3ccccc3F)[C@@H](CCO)C2)cc1Cl ZINC000077408472 205362869 /nfs/dbraw/zinc/36/28/69/205362869.db2.gz DQHRDMFLSKACKS-KRWDZBQOSA-N -1 3 378.875 3.254 50 0 GGAAHM CCCCc1ncc(CN2CCC(Oc3cccc(F)c3)(C(=O)[O-])CC2)[nH]1 ZINC000082092569 205385148 /nfs/dbraw/zinc/38/51/48/205385148.db2.gz NQNLQWUAWPZNDJ-UHFFFAOYSA-N -1 3 375.444 3.390 50 0 GGAAHM O=c1[n-]n(C2CCOCC2)c2c1[C@@H](c1cccc(OC(F)F)c1)CC(=O)N2 ZINC000095473968 205464807 /nfs/dbraw/zinc/46/48/07/205464807.db2.gz CVLSRUNYCBMGDC-CYBMUJFWSA-N -1 3 379.363 3.253 50 0 GGAAHM CO[C@H](C[N-]S(=O)(=O)Cc1cc(F)ccc1F)c1ccc(Cl)s1 ZINC000225706862 206068686 /nfs/dbraw/zinc/06/86/86/206068686.db2.gz LFVWAIPLAMIGKZ-GFCCVEGCSA-N -1 3 381.853 3.487 50 0 GGAAHM CO[C@@H](C[N-]S(=O)(=O)Cc1cc(F)ccc1F)c1ccc(Cl)s1 ZINC000225706886 206069838 /nfs/dbraw/zinc/06/98/38/206069838.db2.gz LFVWAIPLAMIGKZ-LBPRGKRZSA-N -1 3 381.853 3.487 50 0 GGAAHM O=C(N[C@@H](Cn1c([O-])coc1=O)c1ccccc1)c1cc2ccccc2s1 ZINC000225637240 206062515 /nfs/dbraw/zinc/06/25/15/206062515.db2.gz ZRYXQOXYLLGKRC-HNNXBMFYSA-N -1 3 380.425 3.351 50 0 GGAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](c1cccnc1)C1CCOCC1 ZINC000225624477 206062929 /nfs/dbraw/zinc/06/29/29/206062929.db2.gz AXAMGHQBEMYAQG-SFHVURJKSA-N -1 3 396.896 3.190 50 0 GGAAHM COC(=O)C[C@@H](c1ccc(OCC(C)C)c(OC)c1)c1oc(C)cc(=O)c1[O-] ZINC000096114746 206117494 /nfs/dbraw/zinc/11/74/94/206117494.db2.gz CWKLCPBVIPDDGW-HNNXBMFYSA-N -1 3 390.432 3.392 50 0 biogenic GGAAHM COc1ccccc1[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC)OC ZINC000096385014 206122884 /nfs/dbraw/zinc/12/28/84/206122884.db2.gz XNIQQOLXNUGFSE-INIZCTEOSA-N -1 3 385.869 3.023 50 0 GGAAHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccco2)cc1 ZINC000229968316 206110233 /nfs/dbraw/zinc/11/02/33/206110233.db2.gz MLMNIIWAGRXMHP-XUVXKRRUSA-N -1 3 390.395 3.339 50 0 GGAAHM Cc1ccc2[n-]cc(C(=O)N[C@@H](Cc3ccccc3)[C@H]3C[C@H](O)C3)c(=O)c2c1 ZINC000253535028 206148944 /nfs/dbraw/zinc/14/89/44/206148944.db2.gz DVNNMAFIQJBQJX-FIKGOQFSSA-N -1 3 376.456 3.361 50 0 GGAAHM Cc1scc(C(=O)N[C@H]2C[C@@H](c3cc(=O)[n-]c(N)n3)C2)c1-c1ccccc1 ZINC000253534878 206149410 /nfs/dbraw/zinc/14/94/10/206149410.db2.gz OBQGGZWDRDBQHN-OKILXGFUSA-N -1 3 380.473 3.477 50 0 GGAAHM O=C(N[C@H]1C[C@@H](c2cc(=O)[n-]c(N3CCCC3)n2)C1)c1ccc(Cl)s1 ZINC000253535722 206149527 /nfs/dbraw/zinc/14/95/27/206149527.db2.gz NSBOVURCAVODGG-PHIMTYICSA-N -1 3 378.885 3.173 50 0 GGAAHM C[C@H](O)c1cccc(NC(=O)COc2cc([O-])c3c(c2)OC(C)(C)CC3=O)c1 ZINC000012893163 221242059 /nfs/dbraw/zinc/24/20/59/221242059.db2.gz HVFPEEXWRDHKFU-LBPRGKRZSA-N -1 3 385.416 3.207 50 0 biogenic GGAAHM CCc1cnc(C)nc1N1CCN(Cc2cc(Cl)c([O-])c(OC)c2)CC1 ZINC000065424167 136163924 /nfs/dbraw/zinc/16/39/24/136163924.db2.gz ZPMAPYXTYZLOPD-UHFFFAOYSA-N -1 3 376.888 3.037 50 0 GGAAHM Cc1cccc(N2CCC(N3CCCn4nc(CCC(=O)[O-])cc4C3)CC2)c1C ZINC000072420088 136169929 /nfs/dbraw/zinc/16/99/29/136169929.db2.gz DDWYMCSYJWZVMY-UHFFFAOYSA-N -1 3 396.535 3.392 50 0 GGAAHM CCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(OC)c(Cl)c3)ccc21 ZINC000008962390 535430610 /nfs/dbraw/zinc/43/06/10/535430610.db2.gz QTTKSAIMGJHZME-UHFFFAOYSA-N -1 3 394.880 3.449 50 0 GGAAHM COCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(C)cc3C)cc21 ZINC000021756799 536765309 /nfs/dbraw/zinc/76/53/09/536765309.db2.gz BLODSMXLJBOFFH-UHFFFAOYSA-N -1 3 388.489 3.030 50 0 GGAAHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NS(C)(=O)=O)c2)cc1 ZINC000001032589 564181998 /nfs/dbraw/zinc/18/19/98/564181998.db2.gz YWIAAECEYCRWIL-UHFFFAOYSA-N -1 3 382.507 3.120 50 0 GGAAHM CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc(Cl)c1[O-] ZINC000000981633 564182545 /nfs/dbraw/zinc/18/25/45/564182545.db2.gz KAXRFEVCQUJKCA-OTIXFSKASA-N -1 3 385.825 3.042 50 0 GGAAHM CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc(Cl)c1[O-] ZINC000000981635 564182689 /nfs/dbraw/zinc/18/26/89/564182689.db2.gz KAXRFEVCQUJKCA-LQGZHCLWSA-N -1 3 385.825 3.042 50 0 GGAAHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000001099421 564183385 /nfs/dbraw/zinc/18/33/85/564183385.db2.gz OVCIPWXFJNPVGQ-UHFFFAOYSA-N -1 3 395.289 3.166 50 0 GGAAHM CCCC(=O)N[C@@H](NC(=S)Nc1ccccc1[O-])C(Cl)(Cl)Cl ZINC000002688020 564189415 /nfs/dbraw/zinc/18/94/15/564189415.db2.gz CZHBZKQSOOLKMP-NSHDSACASA-N -1 3 384.716 3.291 50 0 GGAAHM CS(=O)(=O)[N-]c1nn(Cc2ccc(Cl)cc2Cl)cc1Br ZINC000002774797 564190260 /nfs/dbraw/zinc/19/02/60/564190260.db2.gz SGVZSFPLXBJYKR-UHFFFAOYSA-N -1 3 399.097 3.372 50 0 GGAAHM O=C1[C@H](c2ccccc2)S(=O)(=O)C=C([O-])N1c1ccc(Cl)c(Cl)c1 ZINC000003051030 564192983 /nfs/dbraw/zinc/19/29/83/564192983.db2.gz KCPTUSNGILSEIH-HNNXBMFYSA-N -1 3 384.240 3.023 50 0 GGAAHM O=C(CSc1nnc([N-]C(=O)c2ccco2)s1)Nc1ccc(F)cc1 ZINC000004078037 564200132 /nfs/dbraw/zinc/20/01/32/564200132.db2.gz OUOHEZSJEYLWOA-UHFFFAOYSA-N -1 3 378.410 3.253 50 0 GGAAHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2nccs2)c(Cl)cc1Cl ZINC000012382653 564267331 /nfs/dbraw/zinc/26/73/31/564267331.db2.gz MIXYKCYFERPBCM-UHFFFAOYSA-N -1 3 394.305 3.389 50 0 GGAAHM CCN1C(=O)S/C(=C\c2ccc([O-])c(I)c2)C1=O ZINC000020544949 564306268 /nfs/dbraw/zinc/30/62/68/564306268.db2.gz ZBJSAHXLRCTUES-POHAHGRESA-N -1 3 375.187 3.053 50 0 GGAAHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)c1cn(C)c2ccccc12 ZINC000021696025 564311734 /nfs/dbraw/zinc/31/17/34/564311734.db2.gz JPWCMBYGXGQWKO-HNNXBMFYSA-N -1 3 397.953 3.474 50 0 GGAAHM O=S(=O)([N-]c1ccc(I)cc1F)c1ccccc1 ZINC000033880740 564413657 /nfs/dbraw/zinc/41/36/57/564413657.db2.gz XJEYOEOXRXDTEJ-UHFFFAOYSA-N -1 3 377.178 3.231 50 0 GGAAHM O=S(=O)([N-]CC1(Sc2ccccc2)CCOCC1)c1ccccc1F ZINC000096119003 564900986 /nfs/dbraw/zinc/90/09/86/564900986.db2.gz SOEAEAIHYDFDHM-UHFFFAOYSA-N -1 3 381.494 3.446 50 0 GGAAHM CC(C)c1nc(C[N-]S(=O)(=O)c2ccc3c(c2)OC(F)(F)O3)cs1 ZINC000096101426 564901237 /nfs/dbraw/zinc/90/12/37/564901237.db2.gz UTYWHPGIJBQPPP-UHFFFAOYSA-N -1 3 376.406 3.067 50 0 GGAAHM Cc1ccc(N2C(=O)[C@@H]3C(c4ccc(Br)cc4)=NOC3=C2[O-])cc1 ZINC000100902085 564914837 /nfs/dbraw/zinc/91/48/37/564914837.db2.gz GOKITFBHMAYETD-ZBFHGGJFSA-N -1 3 385.217 3.050 50 0 GGAAHM O=S(=O)([N-]CCn1ccn2nc(-c3ccco3)cc12)c1ccc(Cl)s1 ZINC000206751278 565894335 /nfs/dbraw/zinc/89/43/35/565894335.db2.gz OYSNRXSNAIHVPY-UHFFFAOYSA-N -1 3 396.881 3.089 50 0 GGAAHM Cc1cc2ncc(CCC[N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cn2n1 ZINC000206824755 565894506 /nfs/dbraw/zinc/89/45/06/565894506.db2.gz FFSUKPKWNISECS-UHFFFAOYSA-N -1 3 399.303 3.256 50 0 GGAAHM O=S(=O)(Cc1ccccc1Cl)[N-]C[C@](O)(c1ccoc1)c1cccs1 ZINC000253471177 566118402 /nfs/dbraw/zinc/11/84/02/566118402.db2.gz BJYVOUBLGWKZPS-KRWDZBQOSA-N -1 3 397.905 3.350 50 0 GGAAHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccc(-c2cccs2)o1 ZINC000575608973 566275099 /nfs/dbraw/zinc/27/50/99/566275099.db2.gz MQGUCJAMZAOYEA-UHFFFAOYSA-N -1 3 383.472 3.335 50 0 GGAAHM CCCc1cc(C[N-]S(=O)(=O)c2cc(-c3cc(C)[nH]n3)sc2C)on1 ZINC000670436167 566361511 /nfs/dbraw/zinc/36/15/11/566361511.db2.gz VMEZZCIBRIKSHH-UHFFFAOYSA-N -1 3 380.495 3.174 50 0 GGAAHM CCCc1cc(C[N-]S(=O)(=O)c2ccc(-c3c(C)noc3C)s2)on1 ZINC000670452790 566363285 /nfs/dbraw/zinc/36/32/85/566363285.db2.gz HFDJPXHSRKMTHQ-UHFFFAOYSA-N -1 3 381.479 3.439 50 0 GGAAHM CCCCCOc1ccc(NC(=O)N2CCc3nc(C)[n-]c(=O)c3CC2)cc1 ZINC000096136007 570211837 /nfs/dbraw/zinc/21/18/37/570211837.db2.gz OPEYQULYIIXJMJ-UHFFFAOYSA-N -1 3 384.480 3.280 50 0 GGAAHM COc1cc([C@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OCc1ccccc1 ZINC000000642824 570213594 /nfs/dbraw/zinc/21/35/94/570213594.db2.gz SYQUVPGFBOJWDU-LJQANCHMSA-N -1 3 399.472 3.275 50 0 GGAAHM COc1ccccc1OCc1ccc(C(=O)N2NC(C)=C[C@@]2([O-])C(F)(F)F)o1 ZINC000000655848 570214646 /nfs/dbraw/zinc/21/46/46/570214646.db2.gz HZBHNZNKEWVHNJ-QGZVFWFLSA-N -1 3 398.337 3.340 50 0 GGAAHM COc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc(Cl)c1[O-] ZINC000000707156 570218909 /nfs/dbraw/zinc/21/89/09/570218909.db2.gz FFYQEQZKTXGRHH-PXNMLYILSA-N -1 3 386.860 3.441 50 0 GGAAHM O=C(c1cccnc1)N1CCc2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc21 ZINC000019819312 570222450 /nfs/dbraw/zinc/22/24/50/570222450.db2.gz KAKNQIZATXQWAL-UHFFFAOYSA-N -1 3 397.431 3.224 50 0 GGAAHM CCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1ccc(C(C)C)cc1)C3 ZINC000019821117 570222773 /nfs/dbraw/zinc/22/27/73/570222773.db2.gz FUCPKMDQNCGFLZ-HNNXBMFYSA-N -1 3 377.444 3.141 50 0 GGAAHM O=C(COc1ccccc1)Nc1ccc(Oc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000001116159 570243121 /nfs/dbraw/zinc/24/31/21/570243121.db2.gz WMPJQKFCBSKMJG-UHFFFAOYSA-N -1 3 388.379 3.380 50 0 GGAAHM CC(C)N1CCN(Cc2cc(-c3cccnc3)ccc2OCC(=O)[O-])C[C@@H]1C ZINC000097551218 570246020 /nfs/dbraw/zinc/24/60/20/570246020.db2.gz PQSOPBQAYDTREB-KRWDZBQOSA-N -1 3 383.492 3.127 50 0 GGAAHM [O-]c1ccc(CN2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)cc1Cl ZINC000020204443 570247305 /nfs/dbraw/zinc/24/73/05/570247305.db2.gz CSNOJQNUJMNTHN-GOSISDBHSA-N -1 3 378.875 3.254 50 0 GGAAHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc1 ZINC000001144982 570248174 /nfs/dbraw/zinc/24/81/74/570248174.db2.gz DPIFHADHVBUTQL-UHFFFAOYSA-N -1 3 389.351 3.058 50 0 GGAAHM CCOC(=O)COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2CC)cc1 ZINC000001148797 570248775 /nfs/dbraw/zinc/24/87/75/570248775.db2.gz REDQXEHQZUISPI-UHFFFAOYSA-N -1 3 377.462 3.300 50 0 GGAAHM Cc1cc2nc(CN3CCC[C@H](CCc4ccc(F)cc4F)C3)cc(=O)n2[n-]1 ZINC000101922128 570256118 /nfs/dbraw/zinc/25/61/18/570256118.db2.gz FLLQGZKUPMWIDE-OAHLLOKOSA-N -1 3 386.446 3.454 50 0 GGAAHM CCCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000002070857 570273537 /nfs/dbraw/zinc/27/35/37/570273537.db2.gz XHXVCVXXSBOXLR-HNNXBMFYSA-N -1 3 382.844 3.368 50 0 GGAAHM COc1cccc(N2CCN([C@@H](C(=O)[O-])c3c[nH]c4c3cccc4OC)CC2)c1 ZINC000020724595 570276631 /nfs/dbraw/zinc/27/66/31/570276631.db2.gz JJJDILRDMIGSBB-OAQYLSRUSA-N -1 3 395.459 3.133 50 0 GGAAHM COc1cccc(N2CCN([C@H](C(=O)[O-])c3c[nH]c4c3cccc4OC)CC2)c1 ZINC000020724598 570276665 /nfs/dbraw/zinc/27/66/65/570276665.db2.gz JJJDILRDMIGSBB-NRFANRHFSA-N -1 3 395.459 3.133 50 0 GGAAHM COc1ccc(-c2nc3ccccn3c2CN2CCC(C(=O)[O-])CC2)cc1OC ZINC000002599732 570291888 /nfs/dbraw/zinc/29/18/88/570291888.db2.gz UHXYYVQJPRJVDT-UHFFFAOYSA-N -1 3 395.459 3.315 50 0 GGAAHM CN(CCn1cccn1)Cc1cccc(-c2nc(-c3ccccc3)cc(=O)[n-]2)c1 ZINC000023380465 570359460 /nfs/dbraw/zinc/35/94/60/570359460.db2.gz ZJTRHJLCHRHSKD-UHFFFAOYSA-N -1 3 385.471 3.432 50 0 GGAAHM COc1c[n-]c(C(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)cc1=O ZINC000604419613 570363537 /nfs/dbraw/zinc/36/35/37/570363537.db2.gz ICQMXKRRYGZCBU-UHFFFAOYSA-N -1 3 385.323 3.144 50 0 GGAAHM C[C@@H](NC(=O)C(=C([O-])c1ccc(F)cc1)n1ccccc1=O)c1ccccc1 ZINC000000819473 570373262 /nfs/dbraw/zinc/37/32/62/570373262.db2.gz HNMJDWULAQKQDS-FOIQADDNSA-N -1 3 378.403 3.289 50 0 GGAAHM CCOc1cc(C(=O)[N-]c2nnc([C@@H]3CCCO3)o2)cc(OCC)c1OCC ZINC000010971043 570400009 /nfs/dbraw/zinc/40/00/09/570400009.db2.gz YMPULCMQBKIIQW-ZDUSSCGKSA-N -1 3 391.424 3.370 50 0 GGAAHM COc1ccccc1OCc1ccc(C(=O)N2NC=C[C@@]2([O-])C(F)(F)F)cc1 ZINC000006519501 570464890 /nfs/dbraw/zinc/46/48/90/570464890.db2.gz PQNDVJSURJWEMA-GOSISDBHSA-N -1 3 394.349 3.357 50 0 GGAAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccc(O)cc1 ZINC000135821840 570471799 /nfs/dbraw/zinc/47/17/99/570471799.db2.gz QKTFXYYTRSOINQ-PCCBWWKXSA-N -1 3 386.407 3.443 50 0 GGAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)NCc3ccccc3Cl)cc2O1 ZINC000006624332 570508683 /nfs/dbraw/zinc/50/86/83/570508683.db2.gz XVDMZJYSXFKWGY-UHFFFAOYSA-N -1 3 389.835 3.485 50 0 biogenic GGAAHM Cc1ccc(C)n1-c1c(C)c(C)sc1C(=O)NCCc1cc(=O)[n-]c(C)n1 ZINC000032573334 570511272 /nfs/dbraw/zinc/51/12/72/570511272.db2.gz DTCMDYAMLCSTGB-UHFFFAOYSA-N -1 3 384.505 3.137 50 0 GGAAHM COCCOC([O-])=NC(=O)Nc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000003124049 570518068 /nfs/dbraw/zinc/51/80/68/570518068.db2.gz LVIZEMKLAVJUKO-UHFFFAOYSA-N -1 3 376.796 3.476 50 0 GGAAHM COCCOC(=O)N=C([O-])Nc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000003124049 570518074 /nfs/dbraw/zinc/51/80/74/570518074.db2.gz LVIZEMKLAVJUKO-UHFFFAOYSA-N -1 3 376.796 3.476 50 0 GGAAHM CC(C)CCN1c2nc(Nc3cc(F)c([O-])c(F)c3)ncc2N(C)C(=O)[C@@H]1C ZINC000033359422 570525878 /nfs/dbraw/zinc/52/58/78/570525878.db2.gz DTEKTGDVSARYDS-NSHDSACASA-N -1 3 391.422 3.421 50 0 in-vitro GGAAHM CC(C)NC(=O)N([O-])[C@H]1N(C(C)C)C(=O)N(CCc2ccccc2F)C1(C)C ZINC000005259925 570533474 /nfs/dbraw/zinc/53/34/74/570533474.db2.gz OGEHJTUGZKGOOR-QGZVFWFLSA-N -1 3 394.491 3.428 50 0 GGAAHM CN(C)c1ccc(C(=S)N2CCN(C(=S)c3ccc([O-])cc3)CC2)cc1 ZINC000004331325 570575204 /nfs/dbraw/zinc/57/52/04/570575204.db2.gz XLKFTDSOMLWQER-UHFFFAOYSA-N -1 3 385.558 3.127 50 0 GGAAHM COC(=O)[C@]([O-])(c1ccc(N(C)C(=O)Nc2ccccc2)cc1)C(F)(F)F ZINC000012414100 570656982 /nfs/dbraw/zinc/65/69/82/570656982.db2.gz PTVTVOXBCWOETJ-QGZVFWFLSA-N -1 3 382.338 3.278 50 0 GGAAHM CC(=O)NCC1CCN(Cc2ccccc2-c2nc(C(C)(C)C)cc(=O)[n-]2)CC1 ZINC000048428414 570658398 /nfs/dbraw/zinc/65/83/98/570658398.db2.gz YDEWOWHIRFLGGU-UHFFFAOYSA-N -1 3 396.535 3.083 50 0 GGAAHM NC(=O)c1ccc(NC(=O)c2cnc3c(cccc3C(F)(F)F)c2[O-])cc1 ZINC000012421860 570673166 /nfs/dbraw/zinc/67/31/66/570673166.db2.gz WFZPTRIJLUSDGN-UHFFFAOYSA-N -1 3 375.306 3.310 50 0 GGAAHM C[C@@H](CCc1ccco1)NC(=O)COc1cc([O-])c2c(c1)OC(C)(C)CC2=O ZINC000008765223 570681858 /nfs/dbraw/zinc/68/18/58/570681858.db2.gz UBWKFCZJSUOTAD-ZDUSSCGKSA-N -1 3 387.432 3.245 50 0 biogenic GGAAHM CCC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(OC)c(C)c3)ccc21 ZINC000017248146 570702093 /nfs/dbraw/zinc/70/20/93/570702093.db2.gz GTYZFIYCXALREH-UHFFFAOYSA-N -1 3 388.489 3.494 50 0 GGAAHM O=c1[n-]c(=O)c2c([nH]1)Nc1n[nH]c(-c3ccc(Cl)cc3)c1[C@H]2c1ccccc1 ZINC000072332961 570706031 /nfs/dbraw/zinc/70/60/31/570706031.db2.gz GXUSUORXGSQKCH-CYBMUJFWSA-N -1 3 391.818 3.344 50 0 GGAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1cccnc1 ZINC000012971170 570733045 /nfs/dbraw/zinc/73/30/45/570733045.db2.gz CVCFJUHBGJCSBU-VAMGGRTRSA-N -1 3 389.386 3.272 50 0 GGAAHM Cc1cccc(C(=O)N2N=C(c3ccc(F)cc3)C[C@]2(O)C(F)(F)F)c1[O-] ZINC000001092536 570752575 /nfs/dbraw/zinc/75/25/75/570752575.db2.gz UNTOESWUZLHDBQ-KRWDZBQOSA-N -1 3 382.313 3.341 50 0 GGAAHM Cc1ccc(C([O-])=C2[C@H](c3ccc(F)cc3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000013562947 570758273 /nfs/dbraw/zinc/75/82/73/570758273.db2.gz XTEXKLOHKUNMQQ-MPGHIAIKSA-N -1 3 396.340 3.238 50 0 GGAAHM Cc1ccc(N2C(=O)C[C@H](Sc3nnc(-c4ccccc4[O-])o3)C2=O)cc1 ZINC000100921970 570780945 /nfs/dbraw/zinc/78/09/45/570780945.db2.gz OXZXVNFURBAVMY-HNNXBMFYSA-N -1 3 381.413 3.175 50 0 GGAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1cccc(O)c1 ZINC000013748212 570784702 /nfs/dbraw/zinc/78/47/02/570784702.db2.gz WBFBHGZYXQPKOV-NJDAHSKKSA-N -1 3 386.407 3.443 50 0 GGAAHM COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2C(c3ccc(F)cc3)=NOC2=C1[O-] ZINC000101178201 570816239 /nfs/dbraw/zinc/81/62/39/570816239.db2.gz VRERUZFCPFTSHT-WBVHZDCISA-N -1 3 388.782 3.089 50 0 GGAAHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)c3cc(-c4ccc(F)cc4)c[nH]3)CC2)n1 ZINC000238967105 570817123 /nfs/dbraw/zinc/81/71/23/570817123.db2.gz ZBHWDYDMSIOFBM-UHFFFAOYSA-N -1 3 395.438 3.024 50 0 GGAAHM COc1cc(Cl)c(C)cc1N1C(=O)[C@H]2C(c3ccc(F)cc3)=NOC2=C1[O-] ZINC000101361103 570820061 /nfs/dbraw/zinc/82/00/61/570820061.db2.gz VRERUZFCPFTSHT-RDJZCZTQSA-N -1 3 388.782 3.089 50 0 GGAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccnc2)cc1 ZINC000102005368 570840243 /nfs/dbraw/zinc/84/02/43/570840243.db2.gz JSTGERLJWPAZMN-PCCBWWKXSA-N -1 3 385.423 3.441 50 0 GGAAHM Nc1[n-]n(-c2ccccc2)c(=O)c1[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC000102411297 570847757 /nfs/dbraw/zinc/84/77/57/570847757.db2.gz BPDRIASEDWPKHH-OAQYLSRUSA-N -1 3 387.439 3.409 50 0 GGAAHM [O-]C(c1ccccc1)=C1[C@@H](c2ccc(F)cc2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000170591594 570849349 /nfs/dbraw/zinc/84/93/49/570849349.db2.gz FWOLYZZASPXYOH-VBQJREDUSA-N -1 3 398.381 3.095 50 0 GGAAHM Cc1cc(C)nc(-n2nc3[n-]cc4c(c-3c2=O)C[C@H](c2ccco2)CC4=O)n1 ZINC000102747066 570860925 /nfs/dbraw/zinc/86/09/25/570860925.db2.gz RCRHUUKXLVWQMM-LBPRGKRZSA-N -1 3 375.388 3.039 50 0 GGAAHM Cc1nc([C@@H]2CCCN(C(=O)Nc3cccc(-n4cccn4)c3)C2)cc(=O)[n-]1 ZINC000299796098 570896998 /nfs/dbraw/zinc/89/69/98/570896998.db2.gz NFKYFVWNXOANPN-OAHLLOKOSA-N -1 3 378.436 3.088 50 0 GGAAHM CCn1nc(C)c(-c2ccc(C(=O)N3Cc4nc(C)[n-]c(=O)c4C3)cc2)c1C ZINC000534587525 570905311 /nfs/dbraw/zinc/90/53/11/570905311.db2.gz XZODZYJEQYTNNS-UHFFFAOYSA-N -1 3 377.448 3.147 50 0 GGAAHM CCCc1cncnc1-c1cccc(C(=O)N2Cc3nc(C)[n-]c(=O)c3C2)c1 ZINC000534633457 570910759 /nfs/dbraw/zinc/91/07/59/570910759.db2.gz GHDXWQZTMUHZKQ-UHFFFAOYSA-N -1 3 375.432 3.056 50 0 GGAAHM Cc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3CCC(O)CC3)c([O-])n2n1 ZINC000023157159 570920444 /nfs/dbraw/zinc/92/04/44/570920444.db2.gz XTAFLVAFLOUUDI-KRWDZBQOSA-N -1 3 386.521 3.474 50 0 GGAAHM Cc1ccccc1COc1ccc([C@@H]2CC(=O)Nc3nc(C)[n-]c(=O)c32)cc1 ZINC000017043551 570938214 /nfs/dbraw/zinc/93/82/14/570938214.db2.gz BOVIHHHCKZLKEP-SFHVURJKSA-N -1 3 375.428 3.440 50 0 GGAAHM O=C(c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccccc3)c(=O)c1-2)c1ccccc1 ZINC000018173509 570951212 /nfs/dbraw/zinc/95/12/12/570951212.db2.gz LLBJGSNZMIRERE-TZIWHRDSSA-N -1 3 395.418 3.304 50 0 GGAAHM CCOC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)Nc1ccc(C(C)C)cc1 ZINC000011330454 570969078 /nfs/dbraw/zinc/96/90/78/570969078.db2.gz YOEKVVLGJWXEMI-UHFFFAOYSA-N -1 3 389.477 3.109 50 0 GGAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCCc2nc(-c3ccccc3)ncc21 ZINC000091391010 571005803 /nfs/dbraw/zinc/00/58/03/571005803.db2.gz HSTIQGKWBPSMMN-QGZVFWFLSA-N -1 3 384.461 3.104 50 0 GGAAHM CCCCN1C[C@@]2(CCCN(Cc3ccc(OC)c(C(=O)[O-])c3)C2)CCC1=O ZINC000091390940 571005808 /nfs/dbraw/zinc/00/58/08/571005808.db2.gz WAPXRQLGPVCOSK-QFIPXVFZSA-N -1 3 388.508 3.398 50 0 GGAAHM Cc1nc(-c2ccncc2)ncc1[C@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000091662987 571024230 /nfs/dbraw/zinc/02/42/30/571024230.db2.gz MYTOEDGXTTXFAE-AWEZNQCLSA-N -1 3 385.427 3.180 50 0 GGAAHM O=C(c1ccc([O-])cc1)N1CCC2(CCC(=O)N(CCc3ccccc3)C2)CC1 ZINC000095375319 571063553 /nfs/dbraw/zinc/06/35/53/571063553.db2.gz DSOHIIHXVRGMME-UHFFFAOYSA-N -1 3 392.499 3.480 50 0 GGAAHM COc1ccc([C@@H]2CN(C(=O)c3cccc(C)c3[O-])[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095374997 571063800 /nfs/dbraw/zinc/06/38/00/571063800.db2.gz MVHBLCFWXOPLFP-BHDDXSALSA-N -1 3 392.499 3.412 50 0 GGAAHM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000095376898 571064763 /nfs/dbraw/zinc/06/47/63/571064763.db2.gz IVYDLSDKWCAWBA-HXUWFJFHSA-N -1 3 378.472 3.251 50 0 GGAAHM COc1ccc([C@@H]2CN(C(=O)c3ccc(C)cc3[O-])[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095386280 571070402 /nfs/dbraw/zinc/07/04/02/571070402.db2.gz KOXYATVLMVPJPC-MDNUFGMLSA-N -1 3 392.499 3.412 50 0 GGAAHM Cc1cc(=O)[n-]c(CCNC(=O)C[C@@H](c2ccccc2)c2ccccc2C)n1 ZINC000095502186 571076768 /nfs/dbraw/zinc/07/67/68/571076768.db2.gz SWMGINXBNGWAEL-FQEVSTJZSA-N -1 3 375.472 3.268 50 0 GGAAHM O=C([O-])[C@@]12CN(Cc3cc(-c4ccccc4)no3)C[C@@H]1c1ccccc1OC2 ZINC000095511092 571082244 /nfs/dbraw/zinc/08/22/44/571082244.db2.gz XCEUOQNUJYDKRM-XMSQKQJNSA-N -1 3 376.412 3.404 50 0 GGAAHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C[C@H](c1ccccc1)c1ccccc1F)C2 ZINC000095512583 571083043 /nfs/dbraw/zinc/08/30/43/571083043.db2.gz BDXSQTNXVYKAIG-QGZVFWFLSA-N -1 3 377.419 3.282 50 0 GGAAHM Cc1cc(C(=O)N2CCC[C@@H](c3nccn3Cc3cscn3)C2)ccc1[O-] ZINC000095523747 571089005 /nfs/dbraw/zinc/08/90/05/571089005.db2.gz VBWAZZXAPZKEGW-MRXNPFEDSA-N -1 3 382.489 3.422 50 0 GGAAHM O=C(Nc1nnc(Sc2ncccc2[N+](=O)[O-])[n-]1)C(Cl)=C(Cl)Cl ZINC000002154188 1398304783 /nfs/dbraw/zinc/30/47/83/1398304783.db2.gz KLUYOVFUADTMSW-UHFFFAOYSA-N -1 3 395.615 3.083 50 0 GGAAHM O=C(Nc1nc(Sc2ncccc2[N+](=O)[O-])n[n-]1)C(Cl)=C(Cl)Cl ZINC000002154188 1398304793 /nfs/dbraw/zinc/30/47/93/1398304793.db2.gz KLUYOVFUADTMSW-UHFFFAOYSA-N -1 3 395.615 3.083 50 0 GGAAHM COc1ccccc1CN1C(=O)N(C(C)C)[C@@H](N([O-])C(=O)NC(C)C)C1(C)C ZINC000003985299 1398376253 /nfs/dbraw/zinc/37/62/53/1398376253.db2.gz AXPIMUVUCVGOMR-KRWDZBQOSA-N -1 3 392.500 3.255 50 0 biogenic GGAAHM COc1ccc(NC(=O)CSc2nnc([N-]C(=O)c3ccco3)s2)cc1 ZINC000004077875 1398378736 /nfs/dbraw/zinc/37/87/36/1398378736.db2.gz UFILOGBLEQYEJF-UHFFFAOYSA-N -1 3 390.446 3.123 50 0 GGAAHM O=C([O-])[C@@H](CC(=O)Nc1ccc(Oc2ccccc2)cc1)NCc1ccccn1 ZINC000004189768 1398382237 /nfs/dbraw/zinc/38/22/37/1398382237.db2.gz GWPPMINUEMZESR-HXUWFJFHSA-N -1 3 391.427 3.446 50 0 GGAAHM CCOc1cc(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc(OCC)c1OCC ZINC000004263887 1398387158 /nfs/dbraw/zinc/38/71/58/1398387158.db2.gz RAMRXITWEYJNIT-UHFFFAOYSA-N -1 3 398.415 3.019 50 0 GGAAHM Cc1c(CC(=O)N[C@@H](C)CCc2ccccc2)c(=O)oc2cc([O-])cc(O)c12 ZINC000008490567 1398834798 /nfs/dbraw/zinc/83/47/98/1398834798.db2.gz LBZAUJCRDQNSES-ZDUSSCGKSA-N -1 3 381.428 3.193 50 0 biogenic GGAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)C(C)(C)CO3)cc1 ZINC000009173435 1398854490 /nfs/dbraw/zinc/85/44/90/1398854490.db2.gz MCYIVQFXVGOVIK-UHFFFAOYSA-N -1 3 390.461 3.243 50 0 GGAAHM COc1cc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCCC2)ccc1O ZINC000095474363 1410314000 /nfs/dbraw/zinc/31/40/00/1410314000.db2.gz QGLNMMDMOGPCGF-MRXNPFEDSA-N -1 3 375.450 3.430 50 0 GGAAHM COc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCSCC2)cc1 ZINC000096117983 1410324115 /nfs/dbraw/zinc/32/41/15/1410324115.db2.gz HIXHFGVIBMGDKS-MRXNPFEDSA-N -1 3 391.518 3.440 50 0 GGAAHM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2cccc(O)c2)CCO1 ZINC000096230701 1410325765 /nfs/dbraw/zinc/32/57/65/1410325765.db2.gz NFVMPOCZCMJELM-LRDDRELGSA-N -1 3 389.477 3.199 50 0 GGAAHM CCCc1cnc(N2CCN(Cc3ccc(OC)c([O-])c3Cl)CC2)nc1 ZINC000199408688 1433352702 /nfs/dbraw/zinc/35/27/02/1433352702.db2.gz UXTQLFNCRDJAGP-UHFFFAOYSA-N -1 3 376.888 3.119 50 0 GGAAHM COCCn1ccnc1CN1C[C@@H]2C[C@@H](c3ccccc3)CC[C@]2(C(=O)[O-])C1 ZINC000426595133 231245333 /nfs/dbraw/zinc/24/53/33/231245333.db2.gz ZWXFWUCHDWUTRB-IPJJNNNSSA-N -1 3 383.492 3.000 50 0 GGAAHM CCOC(=O)c1csc(N2N=C(c3ccc(C)cc3)C[C@@]2([O-])C(F)(F)F)n1 ZINC000004478278 209121478 /nfs/dbraw/zinc/12/14/78/209121478.db2.gz TUXLHSHRECBKLM-MRXNPFEDSA-N -1 3 399.394 3.494 50 0 GGAAHM O=S(=O)(Cc1ccccc1Cl)[N-]C[C@@](O)(c1ccsc1)c1ccco1 ZINC000244983828 206279698 /nfs/dbraw/zinc/27/96/98/206279698.db2.gz ISMGRNBOSZEZMO-QGZVFWFLSA-N -1 3 397.905 3.350 50 0 GGAAHM Cc1[nH]nc(-c2ccc(OCCN3CCOCC3)cc2[O-])c1-c1ccccc1 ZINC000020412700 206296216 /nfs/dbraw/zinc/29/62/16/206296216.db2.gz FTRVUPBKDDFGRL-UHFFFAOYSA-N -1 3 379.460 3.469 50 0 GGAAHM COc1ccc(-c2c[nH]nc2-c2ccc(OCCN3CCOCC3)cc2[O-])cc1 ZINC000020590709 206297482 /nfs/dbraw/zinc/29/74/82/206297482.db2.gz QQDGGSDXLVCXIM-UHFFFAOYSA-N -1 3 395.459 3.169 50 0 GGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1C ZINC000009169959 206307309 /nfs/dbraw/zinc/30/73/09/206307309.db2.gz DWFIFXXSZMIWNA-UHFFFAOYSA-N -1 3 388.489 3.486 50 0 GGAAHM CN1c2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc2OCC(C)(C)C1=O ZINC000009169841 206307333 /nfs/dbraw/zinc/30/73/33/206307333.db2.gz OJTQRGAPLQVQEZ-UHFFFAOYSA-N -1 3 378.425 3.008 50 0 GGAAHM CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc([O-])cc1Cl ZINC000000632287 206309522 /nfs/dbraw/zinc/30/95/22/206309522.db2.gz LTAAGTOFOOWLPL-UHFFFAOYSA-N -1 3 379.840 3.407 50 0 GGAAHM CC[C@@H](C)OC(=O)c1c([N-]C(=O)c2nc3ncccn3n2)sc2c1CCCC2 ZINC000000646532 206311806 /nfs/dbraw/zinc/31/18/06/206311806.db2.gz WJTGQIBXOKYUCI-LLVKDONJSA-N -1 3 399.476 3.272 50 0 GGAAHM CCN(CC)C(=O)[C@H]1CCCN(Cc2cc(Br)c([O-])c(OC)c2)C1 ZINC000000755559 206320117 /nfs/dbraw/zinc/32/01/17/206320117.db2.gz JQZBGYVMVQSLAJ-AWEZNQCLSA-N -1 3 399.329 3.244 50 0 GGAAHM COc1ccc(C(=O)N2NC3=C(CCCCC3)[C@@]2([O-])C(F)(F)F)cc1OC ZINC000000793138 206321990 /nfs/dbraw/zinc/32/19/90/206321990.db2.gz IBCOQCAXKSDFOJ-YVEFUNNKSA-N -1 3 386.370 3.347 50 0 GGAAHM COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)c(Cl)c1[O-] ZINC000000814127 206324144 /nfs/dbraw/zinc/32/41/44/206324144.db2.gz DWSCSCPSFDRLOP-INIZCTEOSA-N -1 3 387.823 3.321 50 0 GGAAHM O=C(CSc1nnc([N-]C(=O)c2cccs2)s1)Nc1nccs1 ZINC000009366045 206324454 /nfs/dbraw/zinc/32/44/54/206324454.db2.gz YICAEHUCEYFZLM-UHFFFAOYSA-N -1 3 383.505 3.039 50 0 GGAAHM COc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4[O-])cc3C2=O)cc1 ZINC000000828983 206325016 /nfs/dbraw/zinc/32/50/16/206325016.db2.gz MTVRTBOEDDCWMV-UHFFFAOYSA-N -1 3 388.379 3.454 50 0 GGAAHM CO[C@@H](C[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)c1ccccc1Cl ZINC000153771101 206305723 /nfs/dbraw/zinc/30/57/23/206305723.db2.gz HYPQVGMAKZMJMQ-AXHNFQJDSA-N -1 3 399.940 3.342 50 0 GGAAHM COc1cccc2cc(C(=O)[N-]c3nnc(-c4ccc5c(c4)OCO5)o3)oc21 ZINC000009701734 206342510 /nfs/dbraw/zinc/34/25/10/206342510.db2.gz XATCTFHNWMTWMZ-UHFFFAOYSA-N -1 3 379.328 3.472 50 0 GGAAHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000001075188 206349772 /nfs/dbraw/zinc/34/97/72/206349772.db2.gz GRZNJWNQXQKQQL-UHFFFAOYSA-N -1 3 394.880 3.473 50 0 GGAAHM CS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1 ZINC000001112425 206354005 /nfs/dbraw/zinc/35/40/05/206354005.db2.gz DHNUWCAALJFMHE-UHFFFAOYSA-N -1 3 395.289 3.166 50 0 GGAAHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000001112425 206354012 /nfs/dbraw/zinc/35/40/12/206354012.db2.gz DHNUWCAALJFMHE-UHFFFAOYSA-N -1 3 395.289 3.166 50 0 GGAAHM CCOC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2)cc1 ZINC000001141758 206358480 /nfs/dbraw/zinc/35/84/80/206358480.db2.gz PECVTSDTSAXAPF-UHFFFAOYSA-N -1 3 381.475 3.151 50 0 GGAAHM CN1CCOc2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2C1=O ZINC000009828158 206371780 /nfs/dbraw/zinc/37/17/80/206371780.db2.gz CLOILDYBJJFRML-UHFFFAOYSA-N -1 3 388.489 3.249 50 0 GGAAHM COc1ccc(F)cc1S(=O)(=O)[N-]CCc1c(C)[nH]c2ccc(C)cc21 ZINC000001421217 206380179 /nfs/dbraw/zinc/38/01/79/206380179.db2.gz FPOPMERDYDKHSB-UHFFFAOYSA-N -1 3 376.453 3.453 50 0 GGAAHM CC(=O)Nc1ccc(Br)cc1[C@@H](NCC(=O)[O-])c1ccccc1 ZINC000001470827 206383205 /nfs/dbraw/zinc/38/32/05/206383205.db2.gz MJTDXCOZEFLGKC-KRWDZBQOSA-N -1 3 377.238 3.171 50 0 GGAAHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000001149256 206360072 /nfs/dbraw/zinc/36/00/72/206360072.db2.gz BBLFSBFOKSYZGF-UHFFFAOYSA-N -1 3 395.289 3.166 50 0 GGAAHM CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2[O-])c1 ZINC000001230369 206369063 /nfs/dbraw/zinc/36/90/63/206369063.db2.gz QWBQFZDJHMULIC-UHFFFAOYSA-N -1 3 382.869 3.328 50 0 GGAAHM COC(=O)[C@]([N-]c1ncc(C)s1)(NC(=O)c1ccccc1C)C(F)(F)F ZINC000002050502 206395383 /nfs/dbraw/zinc/39/53/83/206395383.db2.gz YOMVFLBHRVPXJX-OAHLLOKOSA-N -1 3 387.383 3.033 50 0 GGAAHM CCOC(=O)[C@]([O-])(c1ccc(NC(=O)Cc2ccccc2)c(C)c1)C(F)(F)F ZINC000002401708 206414070 /nfs/dbraw/zinc/41/40/70/206414070.db2.gz NFJIIPRNTDFJAZ-LJQANCHMSA-N -1 3 395.377 3.489 50 0 GGAAHM COc1cc(C(=S)N2CCN(c3ccccc3F)CC2)cc(OC)c1[O-] ZINC000002858787 206441524 /nfs/dbraw/zinc/44/15/24/206441524.db2.gz MMJKEYVGGSEWFB-UHFFFAOYSA-N -1 3 376.453 3.046 50 0 GGAAHM CCOC(=O)[C@]([N-]c1cccc(C(C)=O)c1)(NC(=O)c1ccco1)C(F)(F)F ZINC000003103610 206457768 /nfs/dbraw/zinc/45/77/68/206457768.db2.gz FKDNZDIAZLCZFE-KRWDZBQOSA-N -1 3 398.337 3.146 50 0 GGAAHM COc1cc(NC(C)=O)c(Cl)cc1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000004436620 206522072 /nfs/dbraw/zinc/52/20/72/206522072.db2.gz LPEOPNCYFRMTAK-UHFFFAOYSA-N -1 3 394.762 3.430 50 0 GGAAHM Cc1ccc(NC(=O)c2c([O-])c3c(n(Cc4ccco4)c2=O)CCCC3)nc1 ZINC000005448335 206612368 /nfs/dbraw/zinc/61/23/68/206612368.db2.gz SEVKCBVXDNPCFI-UHFFFAOYSA-N -1 3 379.416 3.030 50 0 GGAAHM CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1ccccc1[O-] ZINC000008742705 206763735 /nfs/dbraw/zinc/76/37/35/206763735.db2.gz KLWAKOSIRIRWGR-UHFFFAOYSA-N -1 3 375.479 3.166 50 0 GGAAHM CCOC(=O)[C@@]([N-]c1ccccc1)(NC(=O)COc1ccccc1)C(F)(F)F ZINC000012412299 206894160 /nfs/dbraw/zinc/89/41/60/206894160.db2.gz ALTMZJMKWMSVGU-GOSISDBHSA-N -1 3 396.365 3.115 50 0 GGAAHM CCOC(=O)COc1c(Cl)cc(C=C2SC(=O)[N-]C2=O)cc1Cl ZINC000013843858 207002862 /nfs/dbraw/zinc/00/28/62/207002862.db2.gz WXSMCBONKHBEPQ-YHYXMXQVSA-N -1 3 376.217 3.259 50 0 GGAAHM CC(=O)Nc1ccc(NC(=O)CSc2nc3nc(C)cc(C)c3c(=O)[n-]2)cc1 ZINC000015935076 207067159 /nfs/dbraw/zinc/06/71/59/207067159.db2.gz VJMVKLNXWLDMIB-UHFFFAOYSA-N -1 3 397.460 3.036 50 0 GGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(CN3CCCCC3)cc2)c(OC)c1 ZINC000017079681 207084168 /nfs/dbraw/zinc/08/41/68/207084168.db2.gz HEAZPILOCZDUOK-UHFFFAOYSA-N -1 3 390.505 3.491 50 0 GGAAHM O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)Nc1ccccc1 ZINC000018211956 207095563 /nfs/dbraw/zinc/09/55/63/207095563.db2.gz XZUPJVGKJKSHJW-UHFFFAOYSA-N -1 3 377.429 3.252 50 0 GGAAHM COc1cc(CN2CCN(Cc3ccc(C)o3)[C@@H](CCO)C2)cc(Cl)c1[O-] ZINC000019841710 207166488 /nfs/dbraw/zinc/16/64/88/207166488.db2.gz FBHWRLLSKBSZRN-INIZCTEOSA-N -1 3 394.899 3.024 50 0 GGAAHM CCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1ccc(C(C)C)cc1)C3 ZINC000019821115 207164119 /nfs/dbraw/zinc/16/41/19/207164119.db2.gz FUCPKMDQNCGFLZ-OAHLLOKOSA-N -1 3 377.444 3.141 50 0 GGAAHM CCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1cccc(Cl)c1)C3 ZINC000019821213 207164713 /nfs/dbraw/zinc/16/47/13/207164713.db2.gz SOSLRAJISDJVDD-GFCCVEGCSA-N -1 3 383.835 3.061 50 0 GGAAHM O=S(=O)([N-]CCc1csc(-c2ccccn2)n1)c1ccc(Cl)s1 ZINC000019942397 207171999 /nfs/dbraw/zinc/17/19/99/207171999.db2.gz OXELJSKLWBZDLF-UHFFFAOYSA-N -1 3 385.923 3.441 50 0 GGAAHM COCCc1cc(=O)[n-]c(-c2ccc(CN(C)[C@H](C)c3ccncc3)cc2)n1 ZINC000020637051 207208790 /nfs/dbraw/zinc/20/87/90/207208790.db2.gz UMTOSSXYCXGVNQ-MRXNPFEDSA-N -1 3 378.476 3.214 50 0 GGAAHM COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(c4ccccc4OC)CC3)c2c1 ZINC000020723438 207211556 /nfs/dbraw/zinc/21/15/56/207211556.db2.gz VVWJUGIOSRQPSM-OAQYLSRUSA-N -1 3 395.459 3.133 50 0 GGAAHM COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(c4cccc(OC)c4)CC3)c2c1 ZINC000020727390 207212419 /nfs/dbraw/zinc/21/24/19/207212419.db2.gz MQBPZSLZLQJEOY-OAQYLSRUSA-N -1 3 395.459 3.133 50 0 GGAAHM COc1cccc(N2CCN([C@@H](C(=O)[O-])c3c(C)[nH]c4ccccc43)CC2)c1 ZINC000020745477 207213385 /nfs/dbraw/zinc/21/33/85/207213385.db2.gz MDBYFUKOTYDTPD-OAQYLSRUSA-N -1 3 379.460 3.433 50 0 GGAAHM COc1ccccc1C1(C[N-]S(=O)(=O)c2cc(F)cc(F)c2)CCOCC1 ZINC000038680303 207314881 /nfs/dbraw/zinc/31/48/81/207314881.db2.gz JGPRZMOYFMGYPF-UHFFFAOYSA-N -1 3 397.443 3.000 50 0 GGAAHM COc1cc(-c2ccc3c([n-]n(-c4ccccc4)c3=O)n2)cc(OC)c1OC ZINC000031819338 207387101 /nfs/dbraw/zinc/38/71/01/207387101.db2.gz OEWCWVGHKCUPDU-UHFFFAOYSA-N -1 3 377.400 3.407 50 0 GGAAHM COc1cc2c(cc1OC)C(=O)[C@H](Sc1nnc(-c3ccc([O-])cc3)o1)C2 ZINC000032092714 207391123 /nfs/dbraw/zinc/39/11/23/207391123.db2.gz XIYSZSDMWPHASR-MRXNPFEDSA-N -1 3 384.413 3.359 50 0 GGAAHM CCC[C@@H](C)N1CC2(CCN(C(=O)c3cccc(OC)c3[O-])CC2)OC1=O ZINC000072469943 208029197 /nfs/dbraw/zinc/02/91/97/208029197.db2.gz APMVSMZKFIIPIY-CQSZACIVSA-N -1 3 376.453 3.016 50 0 GGAAHM CCc1[nH]c2c(cc(C)cc2CNC(=O)Cc2c(C)nc(CC)[n-]c2=O)c1C ZINC000077394317 208040195 /nfs/dbraw/zinc/04/01/95/208040195.db2.gz UTFPCQKJYLQIEM-UHFFFAOYSA-N -1 3 380.492 3.160 50 0 GGAAHM Cc1ccc([C@@H]2CN(C(=O)c3ccc([O-])c(C)c3)C[C@H]2NC(=O)C2CC2)cc1 ZINC000077390608 208041524 /nfs/dbraw/zinc/04/15/24/208041524.db2.gz YRWKQGLJJLBDGT-VQTJNVASSA-N -1 3 378.472 3.143 50 0 GGAAHM CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(Cc1ccc(CC(C)C)s1)CC2 ZINC000082083572 208077324 /nfs/dbraw/zinc/07/73/24/208077324.db2.gz ZVDLYXOFGFRWPS-GOSISDBHSA-N -1 3 378.538 3.234 50 0 GGAAHM COc1ccc(C(C)C)cc1CN1CCC2(C[C@H](C(=O)[O-])N(C(C)=O)C2)CC1 ZINC000082137222 208083423 /nfs/dbraw/zinc/08/34/23/208083423.db2.gz BOCGLDKYNXTSEM-LJQANCHMSA-N -1 3 388.508 3.106 50 0 GGAAHM CCn1nc(C)c(CN2CCC(Oc3ccccc3OC)(C(=O)[O-])CC2)c1C ZINC000082126691 208083623 /nfs/dbraw/zinc/08/36/23/208083623.db2.gz RHMKBTSATXOACF-UHFFFAOYSA-N -1 3 387.480 3.027 50 0 GGAAHM CCN(CC)[C@@H](CNC(=O)c1cnc(-c2cccs2)[n-]c1=O)c1ccco1 ZINC000091518610 208123763 /nfs/dbraw/zinc/12/37/63/208123763.db2.gz DYMWJRWYRQXHIK-AWEZNQCLSA-N -1 3 386.477 3.317 50 0 GGAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCCc2nc(-c3ccccc3)ncc21 ZINC000091391011 208117134 /nfs/dbraw/zinc/11/71/34/208117134.db2.gz HSTIQGKWBPSMMN-KRWDZBQOSA-N -1 3 384.461 3.104 50 0 GGAAHM CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2cnc[n-]c2=O)cc1 ZINC000091468561 208119064 /nfs/dbraw/zinc/11/90/64/208119064.db2.gz KHMZBZWVHZUMPQ-GOSISDBHSA-N -1 3 391.475 3.061 50 0 GGAAHM CC(C)(C)c1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2cnc[n-]c2=O)cc1 ZINC000091468562 208119113 /nfs/dbraw/zinc/11/91/13/208119113.db2.gz KHMZBZWVHZUMPQ-SFHVURJKSA-N -1 3 391.475 3.061 50 0 GGAAHM O=C([O-])[C@@H]1CC(=O)NC12CCN(Cc1ccc(-c3ccccc3F)cc1)CC2 ZINC000095361736 208161001 /nfs/dbraw/zinc/16/10/01/208161001.db2.gz HPZKOWJDXWGBJT-SFHVURJKSA-N -1 3 382.435 3.048 50 0 GGAAHM O=C(c1ccccc1[O-])N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095361467 208161224 /nfs/dbraw/zinc/16/12/24/208161224.db2.gz QJISNQWYDVZGDQ-ZLGUVYLKSA-N -1 3 384.426 3.373 50 0 GGAAHM O=C(c1ccc(N2CC(=O)[N-]C2=O)cc1)N1CCCC[C@H]1c1cccc(F)c1 ZINC000095366613 208164904 /nfs/dbraw/zinc/16/49/04/208164904.db2.gz AKTRFUGPDUXXQR-SFHVURJKSA-N -1 3 381.407 3.249 50 0 GGAAHM CN1CCC(Cn2cc(-c3ccc(C(=O)[O-])cc3)nn2)(c2ccccc2)CC1 ZINC000095381015 208173964 /nfs/dbraw/zinc/17/39/64/208173964.db2.gz NCGBQTIMINGLLQ-UHFFFAOYSA-N -1 3 376.460 3.307 50 0 GGAAHM Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)N1CCC[C@@H](c2cc(=O)[n-]c(C)n2)C1 ZINC000091892971 208140084 /nfs/dbraw/zinc/14/00/84/208140084.db2.gz HUMGCVZRJDSJCI-QGZVFWFLSA-N -1 3 392.503 3.434 50 0 GGAAHM Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)N1CCC[C@H](c2cc(=O)[n-]c(C)n2)C1 ZINC000091892968 208141352 /nfs/dbraw/zinc/14/13/52/208141352.db2.gz HUMGCVZRJDSJCI-KRWDZBQOSA-N -1 3 392.503 3.434 50 0 GGAAHM COCCC[C@@]1(C(=O)[O-])CCCN(Cc2cnn(-c3cccc(F)c3)c2)C1 ZINC000091849362 208141775 /nfs/dbraw/zinc/14/17/75/208141775.db2.gz XWQIXFODATWJFU-FQEVSTJZSA-N -1 3 375.444 3.105 50 0 GGAAHM CN1CC2(CCN(C(=O)c3cccc([O-])c3)CC2)C[C@H](c2ccccc2)C1=O ZINC000091943498 208145368 /nfs/dbraw/zinc/14/53/68/208145368.db2.gz JYJZFWCGOLTLCO-HXUWFJFHSA-N -1 3 378.472 3.261 50 0 GGAAHM Cc1cn2c(nc(CN3CCC[C@@H](c4ccc(C(=O)[O-])cc4)C3)cc2=O)s1 ZINC000095356065 208156771 /nfs/dbraw/zinc/15/67/71/208156771.db2.gz LUUQEQZDMCWEKX-MRXNPFEDSA-N -1 3 383.473 3.142 50 0 GGAAHM COc1cc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCCC2)ccc1O ZINC000095474364 208193772 /nfs/dbraw/zinc/19/37/72/208193772.db2.gz QGLNMMDMOGPCGF-INIZCTEOSA-N -1 3 375.450 3.430 50 0 GGAAHM Cc1cc(=O)c([O-])c(C(c2ccc(F)c(F)c2F)c2oc(C)cc(=O)c2O)o1 ZINC000095473573 208193919 /nfs/dbraw/zinc/19/39/19/208193919.db2.gz ZTGHBJLACZKHNP-UHFFFAOYSA-N -1 3 394.301 3.219 50 0 GGAAHM COc1cc(OC)c([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C(C)C)cc1OC ZINC000095479308 208195542 /nfs/dbraw/zinc/19/55/42/208195542.db2.gz REWZAMMJNYPZAI-INIZCTEOSA-N -1 3 393.465 3.207 50 0 GGAAHM Cc1ccc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)c([O-])c1 ZINC000095503234 208203695 /nfs/dbraw/zinc/20/36/95/208203695.db2.gz AVWNNILKFYXUMZ-QGZVFWFLSA-N -1 3 376.460 3.360 50 0 GGAAHM Cc1cc(C(=O)N2CCC[C@H](c3nccn3Cc3ccncc3)C2)ccc1[O-] ZINC000095518915 208217412 /nfs/dbraw/zinc/21/74/12/208217412.db2.gz SGQMFKQDFPNBIA-IBGZPJMESA-N -1 3 376.460 3.360 50 0 GGAAHM C[C@@H](CSC(F)(F)F)[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000095918466 208238843 /nfs/dbraw/zinc/23/88/43/208238843.db2.gz DPHOTJJCIYBMCA-ZETCQYMHSA-N -1 3 378.235 3.369 50 0 GGAAHM O=c1[n-]n(C2CCSCC2)c2c1[C@@H](c1ccc(O)cc1)SCC(=O)N2 ZINC000096117944 208264848 /nfs/dbraw/zinc/26/48/48/208264848.db2.gz MAAVEVFTOCDOIK-OAHLLOKOSA-N -1 3 377.491 3.137 50 0 GGAAHM O=c1[nH]n(C2CCOCC2)c2c1[C@H](c1ccc([O-])c(Cl)c1)SCC(=O)N2 ZINC000096117886 208264933 /nfs/dbraw/zinc/26/49/33/208264933.db2.gz OYXZDXQFBBHFNH-HNNXBMFYSA-N -1 3 395.868 3.074 50 0 GGAAHM CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2ccc(O)cc2)CCO1 ZINC000096223744 208287821 /nfs/dbraw/zinc/28/78/21/208287821.db2.gz ZXKOXSJVUAQRTE-WBMJQRKESA-N -1 3 389.477 3.199 50 0 GGAAHM O=C1[C@@H]2C(c3ccc(Cl)cc3Cl)=NOC2=C([O-])N1c1ccc(F)cc1 ZINC000101033704 208384835 /nfs/dbraw/zinc/38/48/35/208384835.db2.gz ZLIUAVBWRKFOJP-HIFRSBDPSA-N -1 3 379.174 3.425 50 0 GGAAHM Cc1cc(=O)[n-]c(CCNC(=O)c2cccc(-c3cc(C)c(C)c(C)n3)c2)n1 ZINC000299802031 209093244 /nfs/dbraw/zinc/09/32/44/209093244.db2.gz REUAOEBFFALIHL-UHFFFAOYSA-N -1 3 376.460 3.450 50 0 GGAAHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccccc1C ZINC000096105091 209009185 /nfs/dbraw/zinc/00/91/85/209009185.db2.gz SGRDFYBOQXJILN-LBPRGKRZSA-N -1 3 390.324 3.485 50 0 GGAAHM CO[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccccc1C ZINC000096105090 209009467 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Cc1cc([N-]C(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)cs2)no1 ZINC000006681088 564226333 /nfs/dbraw/zinc/22/63/33/564226333.db2.gz RHNXKQOVONINAA-UHFFFAOYSA-N -1 3 377.447 3.122 50 0 GGAAHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cccs1 ZINC000008714862 564250681 /nfs/dbraw/zinc/25/06/81/564250681.db2.gz PMAFZTNDGDIEHI-UHFFFAOYSA-N -1 3 376.297 3.388 50 0 GGAAHM O=C(Nc1cccc(Cl)c1Cl)[C@H]1C=C([O-])NC(Nc2ccccc2)=N1 ZINC000009192437 564253199 /nfs/dbraw/zinc/25/31/99/564253199.db2.gz WBSBMTMSIMGKOD-CYBMUJFWSA-N -1 3 377.231 3.289 50 0 GGAAHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1ccc(C)cc1 ZINC000009646539 564253883 /nfs/dbraw/zinc/25/38/83/564253883.db2.gz IWTLJYKJGBVTEG-UHFFFAOYSA-N -1 3 375.471 3.475 50 0 GGAAHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1ccc(F)cc1 ZINC000009646550 564254377 /nfs/dbraw/zinc/25/43/77/564254377.db2.gz MJHUYDAUZIQZJX-UHFFFAOYSA-N -1 3 379.434 3.306 50 0 GGAAHM O=C(CC1=CCCCC1)N1CCC[C@@H](C[N-]S(=O)(=O)c2cccs2)C1 ZINC000012201548 564267267 /nfs/dbraw/zinc/26/72/67/564267267.db2.gz 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GGAAHM CC(C)c1nc(S(=O)(=O)[N-]Cc2cccnc2-c2cccs2)cn1C ZINC000225763597 565917454 /nfs/dbraw/zinc/91/74/54/565917454.db2.gz MGOJKIHZLBBENE-UHFFFAOYSA-N -1 3 376.507 3.146 50 0 GGAAHM Cn1cc(-c2ncccc2C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cn1 ZINC000575618896 566277601 /nfs/dbraw/zinc/27/76/01/566277601.db2.gz QOEGOZYTAOFVLZ-UHFFFAOYSA-N -1 3 397.287 3.267 50 0 GGAAHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](c1csc2ccccc12)N(C)C ZINC000575618701 566277630 /nfs/dbraw/zinc/27/76/30/566277630.db2.gz BCZYKRSZHHRIOR-HNNXBMFYSA-N -1 3 379.507 3.087 50 0 GGAAHM Cc1ccc(NC(=O)CN2CCc3[n-]c4c(F)ccc(F)c4c(=O)c3C2)cc1C ZINC000049003234 570261787 /nfs/dbraw/zinc/26/17/87/570261787.db2.gz ADTRJBKHJANRGZ-UHFFFAOYSA-N -1 3 397.425 3.420 50 0 GGAAHM Cc1ccc(Cn2cc(-c3noc(C(=O)[N-]c4ccc(C)c(F)c4)n3)nn2)cc1 ZINC000049410314 570266199 /nfs/dbraw/zinc/26/61/99/570266199.db2.gz RPKXKTIYQKGEOM-UHFFFAOYSA-N -1 3 392.394 3.385 50 0 GGAAHM CCOC(=O)[C@]([N-]c1ccc(F)cc1)(NC(=O)c1ccccc1)C(F)(F)F ZINC000002272758 570280886 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O=C(CCCCCn1cccc1)Nc1n[n-]c([C@@H]2COc3ccccc3O2)n1 ZINC000604419255 570363081 /nfs/dbraw/zinc/36/30/81/570363081.db2.gz AYDBKDIRLRGMIR-KRWDZBQOSA-N -1 3 381.436 3.318 50 0 GGAAHM CCn1c(SCC(=O)Nc2cc(Cl)ccc2[O-])nnc1-c1ccncc1 ZINC000004937589 570374607 /nfs/dbraw/zinc/37/46/07/570374607.db2.gz MZVBAYYUOJJLFL-UHFFFAOYSA-N -1 3 389.868 3.450 50 0 GGAAHM S=c1[n-]nc(COc2ccc3c(c2)CCC3)n1-c1ccc2c(c1)OCCO2 ZINC000006402654 570405185 /nfs/dbraw/zinc/40/51/85/570405185.db2.gz QTFSRNNLSUQBLG-UHFFFAOYSA-N -1 3 381.457 3.395 50 0 GGAAHM Cc1ccc(C(NC(=O)C[C@H](N)C(=O)[O-])(c2ccccc2)c2ccccc2)cc1 ZINC000004899674 570416450 /nfs/dbraw/zinc/41/64/50/570416450.db2.gz RSGFXZGZDIQYCG-NRFANRHFSA-N -1 3 388.467 3.205 50 0 GGAAHM CC(C)CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)CCc2ccc3c(c2)OCO3)N1 ZINC000005063341 570427558 /nfs/dbraw/zinc/42/75/58/570427558.db2.gz DQVAHSFEOGPLIC-KRWDZBQOSA-N -1 3 386.370 3.233 50 0 GGAAHM CC(C)CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)CCc2ccc3c(c2)OCO3)N1 ZINC000005063338 570427588 /nfs/dbraw/zinc/42/75/88/570427588.db2.gz DQVAHSFEOGPLIC-QGZVFWFLSA-N -1 3 386.370 3.233 50 0 GGAAHM CCOc1ccc(OCc2ccc(C(=O)N3NC=C[C@@]3([O-])C(F)(F)F)o2)cc1 ZINC000006488244 570449413 /nfs/dbraw/zinc/44/94/13/570449413.db2.gz OCOJBMCCCWNAOZ-QGZVFWFLSA-N -1 3 398.337 3.340 50 0 GGAAHM O=S(=O)([N-]c1ccc(Cc2ccncc2)cc1)c1ccc2c(c1)OCCO2 ZINC000006024976 570464564 /nfs/dbraw/zinc/46/45/64/570464564.db2.gz ZSCZFEILABRIHU-UHFFFAOYSA-N -1 3 382.441 3.244 50 0 GGAAHM COc1ccccc1OCc1cccc(C(=O)N2NC=C[C@@]2([O-])C(F)(F)F)c1 ZINC000006519511 570464833 /nfs/dbraw/zinc/46/48/33/570464833.db2.gz UZHJVFWDWIKMBL-GOSISDBHSA-N -1 3 394.349 3.357 50 0 GGAAHM COc1ccc(NC(=O)Cc2c(C)c3ccc([O-])c(C)c3oc2=O)c(OC)c1 ZINC000006660943 570524796 /nfs/dbraw/zinc/52/47/96/570524796.db2.gz DDZZWTGOHANCMF-UHFFFAOYSA-N -1 3 383.400 3.314 50 0 GGAAHM CC(C)NC(=O)N([O-])[C@@H]1N(C(C)C)C(=O)N(CCc2ccccc2F)C1(C)C ZINC000005259929 570533496 /nfs/dbraw/zinc/53/34/96/570533496.db2.gz OGEHJTUGZKGOOR-KRWDZBQOSA-N -1 3 394.491 3.428 50 0 GGAAHM CCc1ccccc1N1C[C@@H](c2nnc([N-]C(=O)c3ccco3)s2)CC1=O ZINC000008673381 570536984 /nfs/dbraw/zinc/53/69/84/570536984.db2.gz ORMSKDLGLWXIES-ZDUSSCGKSA-N -1 3 382.445 3.466 50 0 GGAAHM COc1ccccc1-c1cc(=O)[n-]c(N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000009423217 570558117 /nfs/dbraw/zinc/55/81/17/570558117.db2.gz BZGSNEJGCYWUSX-UHFFFAOYSA-N -1 3 396.878 3.426 50 0 GGAAHM O=S(=O)([N-]C[C@H](c1ccco1)N1CCc2ccccc2C1)c1cccs1 ZINC000022907132 570563550 /nfs/dbraw/zinc/56/35/50/570563550.db2.gz IFBWBRCFAPFVAF-QGZVFWFLSA-N -1 3 388.514 3.419 50 0 GGAAHM CC[C@H](C)n1[n-]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc(OC)c(OC)c1 ZINC000005431434 570593123 /nfs/dbraw/zinc/59/31/23/570593123.db2.gz AUBHQGJUUQPJIK-MGPLVRAMSA-N -1 3 377.466 3.352 50 0 GGAAHM CC[C@@H](C)n1[n-]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc(OC)c(OC)c1 ZINC000005431123 570593185 /nfs/dbraw/zinc/59/31/85/570593185.db2.gz AUBHQGJUUQPJIK-QLJPJBMISA-N -1 3 377.466 3.352 50 0 GGAAHM CC(C)c1nnc([N-]C(=O)c2ccc(Cn3cnc4ccccc4c3=O)o2)s1 ZINC000036358445 570639335 /nfs/dbraw/zinc/63/93/35/570639335.db2.gz QQDZCYVGYDZLKD-UHFFFAOYSA-N -1 3 395.444 3.265 50 0 GGAAHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCc2[nH]nc(-c3cccc(F)c3)c2C1 ZINC000048115574 570655260 /nfs/dbraw/zinc/65/52/60/570655260.db2.gz XCNHHTRXSUPEJQ-UHFFFAOYSA-N -1 3 388.402 3.256 50 0 GGAAHM CCOc1ccc(-c2nc(CSc3nc4c(nc[n-]c4=O)n3C)c(C)o2)cc1 ZINC000012411977 570656486 /nfs/dbraw/zinc/65/64/86/570656486.db2.gz VOOMIIVLBKBSAK-UHFFFAOYSA-N -1 3 397.460 3.311 50 0 biogenic,in-vitro GGAAHM COC(=O)c1c([N-]C(=O)c2ccno2)sc2c1CCN(Cc1ccccc1)C2 ZINC000012443800 570678002 /nfs/dbraw/zinc/67/80/02/570678002.db2.gz MFUMKWPMJUOCGW-UHFFFAOYSA-N -1 3 397.456 3.333 50 0 GGAAHM COc1ccc(CCN(C)[C@@H](C(=O)[O-])c2cc(F)ccc2OC)cc1OC ZINC000055088325 570681876 /nfs/dbraw/zinc/68/18/76/570681876.db2.gz GMSQBUNSSJGLSK-LJQANCHMSA-N -1 3 377.412 3.152 50 0 GGAAHM COc1ccc(CCN(C)[C@H](C(=O)[O-])c2cc(F)ccc2OC)cc1OC ZINC000055088321 570681922 /nfs/dbraw/zinc/68/19/22/570681922.db2.gz GMSQBUNSSJGLSK-IBGZPJMESA-N -1 3 377.412 3.152 50 0 GGAAHM CS(=O)(=O)CC(=O)Nc1ccccc1/C=C/c1ccc2cccc([O-])c2n1 ZINC000055153432 570685296 /nfs/dbraw/zinc/68/52/96/570685296.db2.gz DRNHIXXQQHBNLE-PKNBQFBNSA-N -1 3 382.441 3.094 50 0 GGAAHM Cc1c([O-])ccc2c(C)c(CCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)c(=O)oc12 ZINC000016032588 570686455 /nfs/dbraw/zinc/68/64/55/570686455.db2.gz BPXMFZBVPOADGH-QMHKHESXSA-N -1 3 399.487 3.202 50 0 biogenic GGAAHM O=C(CCn1cnnn1)Nc1ccccc1/C=C/c1ccc2cccc([O-])c2n1 ZINC000055282156 570690345 /nfs/dbraw/zinc/69/03/45/570690345.db2.gz YVODRBUONZTGOV-CSKARUKUSA-N -1 3 386.415 3.126 50 0 GGAAHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(CC(=O)N2CCCC2)cc1 ZINC000013848776 570700619 /nfs/dbraw/zinc/70/06/19/570700619.db2.gz UAUNWEMSXRZHNH-UHFFFAOYSA-N -1 3 376.453 3.100 50 0 GGAAHM COc1cccc(-n2nnc(-c3nsc([N-]C(=O)c4cccs4)n3)c2C)c1 ZINC000006914538 570701329 /nfs/dbraw/zinc/70/13/29/570701329.db2.gz AKRANORYETXHGV-UHFFFAOYSA-N -1 3 398.473 3.417 50 0 GGAAHM O=C(c1ccc(COc2ccc(F)cc2F)o1)N1NC=C[C@]1([O-])C(F)(F)F ZINC000006925769 570707922 /nfs/dbraw/zinc/70/79/22/570707922.db2.gz WPAREYBVALHXRF-HNNXBMFYSA-N -1 3 390.264 3.219 50 0 GGAAHM CN1CCN(c2ccc(C(F)(F)F)cc2[N-]S(=O)(=O)c2ccccc2)CC1 ZINC000004371746 570718011 /nfs/dbraw/zinc/71/80/11/570718011.db2.gz NYQRVKOGHAQAKK-UHFFFAOYSA-N -1 3 399.438 3.258 50 0 GGAAHM Cc1cc(C)c2c(=O)[n-]c(SCC(=O)Nc3ccc(N(C)C)cc3)nc2n1 ZINC000013126108 570747858 /nfs/dbraw/zinc/74/78/58/570747858.db2.gz OJLYUSMNJKTCBH-UHFFFAOYSA-N -1 3 383.477 3.144 50 0 GGAAHM Cc1cc(C)n(CCc2c(-c3ccccc3)ncn2CCc2cc(=O)[n-]cn2)n1 ZINC000065366027 570761715 /nfs/dbraw/zinc/76/17/15/570761715.db2.gz XSIIOSSOEGKVBG-UHFFFAOYSA-N -1 3 388.475 3.344 50 0 GGAAHM Cc1cccc(-n2nc(CCc3ccccc3)nc2C(=O)[N-]c2nncs2)c1 ZINC000065418609 570767532 /nfs/dbraw/zinc/76/75/32/570767532.db2.gz DKFHHZVEZOXUPM-UHFFFAOYSA-N -1 3 390.472 3.465 50 0 GGAAHM COc1ccc(NC(=O)C[C@@H](c2ccsc2)n2cccc2)cc1-c1nnn[n-]1 ZINC000524733382 570768491 /nfs/dbraw/zinc/76/84/91/570768491.db2.gz MUZGOLIKVJYSHW-INIZCTEOSA-N -1 3 394.460 3.357 50 0 GGAAHM COc1ccc(NC(=O)C[C@@H](c2ccsc2)n2cccc2)cc1-c1nn[n-]n1 ZINC000524733382 570768494 /nfs/dbraw/zinc/76/84/94/570768494.db2.gz MUZGOLIKVJYSHW-INIZCTEOSA-N -1 3 394.460 3.357 50 0 GGAAHM COc1ccc(NC(=O)C[C@H](c2ccsc2)n2cccc2)cc1-c1nnn[n-]1 ZINC000524733383 570768509 /nfs/dbraw/zinc/76/85/09/570768509.db2.gz MUZGOLIKVJYSHW-MRXNPFEDSA-N -1 3 394.460 3.357 50 0 GGAAHM COc1ccc(NC(=O)C[C@H](c2ccsc2)n2cccc2)cc1-c1nn[n-]n1 ZINC000524733383 570768512 /nfs/dbraw/zinc/76/85/12/570768512.db2.gz MUZGOLIKVJYSHW-MRXNPFEDSA-N -1 3 394.460 3.357 50 0 GGAAHM Cc1ccc(NC2(C(=O)N3CCC[C@@H](c4cc(=O)[n-]cn4)C3)CCCC2)cc1 ZINC000065464454 570770198 /nfs/dbraw/zinc/77/01/98/570770198.db2.gz FFIYVPPAZPTSLL-QGZVFWFLSA-N -1 3 380.492 3.209 50 0 GGAAHM COc1ccccc1NC(=O)CSc1n[n-]c([C@H]2COc3ccccc3O2)n1 ZINC000524735029 570772504 /nfs/dbraw/zinc/77/25/04/570772504.db2.gz OYOWKXHSAYDCHS-MRXNPFEDSA-N -1 3 398.444 3.057 50 0 GGAAHM Cc1ccc2[nH]c(C(=O)[O-])c(CN3CCCN(Cc4ccncc4)CC3)c2c1 ZINC000067805707 570792545 /nfs/dbraw/zinc/79/25/45/570792545.db2.gz PLXKTQXOZLVWKX-UHFFFAOYSA-N -1 3 378.476 3.277 50 0 GGAAHM CC(C)[C@@H]1CN(C(=O)c2cccc([O-])c2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071524185 570839602 /nfs/dbraw/zinc/83/96/02/570839602.db2.gz UOIPUPYTPKNLPW-FQEVSTJZSA-N -1 3 384.451 3.431 50 0 GGAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccnc2)cc1 ZINC000102005373 570840386 /nfs/dbraw/zinc/84/03/86/570840386.db2.gz JSTGERLJWPAZMN-QHAWAJNXSA-N -1 3 385.423 3.441 50 0 GGAAHM N[C@@H](Cc1ccco1)[C@@H](C(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000071613437 570841443 /nfs/dbraw/zinc/84/14/43/570841443.db2.gz GIQJFKYMKGCUNZ-SFTDATJTSA-N -1 3 391.423 3.206 50 0 GGAAHM CC[C@H]1CN(C(=O)c2ccc(OC)cc2[O-])CCC(=O)N1Cc1ccccc1 ZINC000071639498 570841987 /nfs/dbraw/zinc/84/19/87/570841987.db2.gz QCKYLFCJPOAIBX-KRWDZBQOSA-N -1 3 382.460 3.054 50 0 GGAAHM Cc1cc(C(=O)N2CCc3c(nc(-c4ccccc4)nc3N(C)C)C2)ccc1[O-] ZINC000071745953 570845175 /nfs/dbraw/zinc/84/51/75/570845175.db2.gz CLISOXZYBXPCTQ-UHFFFAOYSA-N -1 3 388.471 3.422 50 0 GGAAHM O=C(c1cc(-c2ccccc2)nc2ccccc21)N1CCc2c(nc[n-]c2=O)C1 ZINC000071764708 570851363 /nfs/dbraw/zinc/85/13/63/570851363.db2.gz JEEXOWJHSHKPQS-UHFFFAOYSA-N -1 3 382.423 3.184 50 0 GGAAHM CCOc1cc(C(=O)Nc2cccc3c2C(=O)[N-]C3=O)cc(OCC)c1OCC ZINC000003313215 570855477 /nfs/dbraw/zinc/85/54/77/570855477.db2.gz QRQUUHYWROZWMV-UHFFFAOYSA-N -1 3 398.415 3.019 50 0 GGAAHM Cc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(F)cc2)cc1 ZINC000102693082 570857315 /nfs/dbraw/zinc/85/73/15/570857315.db2.gz UJFNHMRKXGRELJ-RVKKMQEKSA-N -1 3 396.340 3.238 50 0 GGAAHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccncc2)c1 ZINC000102730893 570859424 /nfs/dbraw/zinc/85/94/24/570859424.db2.gz OJHPYDFJLAURAB-PCCBWWKXSA-N -1 3 385.423 3.441 50 0 GGAAHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccnc2)c1 ZINC000102736204 570859805 /nfs/dbraw/zinc/85/98/05/570859805.db2.gz MEXIFCKJJODSBW-PCCBWWKXSA-N -1 3 385.423 3.441 50 0 GGAAHM Cc1cc(C)nc(-n2nc3[n-]cc4c(c-3c2=O)C[C@H](c2ccccc2)CC4=O)n1 ZINC000102752673 570862061 /nfs/dbraw/zinc/86/20/61/570862061.db2.gz FMHPDQAKVCBCJE-HNNXBMFYSA-N -1 3 385.427 3.446 50 0 GGAAHM O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)Nc1ccccc1F ZINC000003431914 570867954 /nfs/dbraw/zinc/86/79/54/570867954.db2.gz WKLBGEONXSXSRM-UHFFFAOYSA-N -1 3 395.419 3.391 50 0 GGAAHM COc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3ccc(C)cc3[O-])C2)cc1OC ZINC000072133578 570868678 /nfs/dbraw/zinc/86/86/78/570868678.db2.gz CDTBPRPYXWQWBP-MRXNPFEDSA-N -1 3 383.444 3.453 50 0 GGAAHM Cc1oncc1S(=O)(=O)[N-][C@@H]1CCCN(Cc2ccc(CC(C)C)cc2)C1 ZINC000072137221 570869492 /nfs/dbraw/zinc/86/94/92/570869492.db2.gz MNMFPWSLWVFRDX-LJQANCHMSA-N -1 3 391.537 3.124 50 0 GGAAHM Cc1ccc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1 ZINC000103156772 570878599 /nfs/dbraw/zinc/87/85/99/570878599.db2.gz HDJRWJZWECDZGG-RVKKMQEKSA-N -1 3 394.418 3.264 50 0 GGAAHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N(Cc1ccccn1)C1CCCCC1 ZINC000534638554 570912472 /nfs/dbraw/zinc/91/24/72/570912472.db2.gz UQPRASLQCUWVHJ-UHFFFAOYSA-N -1 3 391.479 3.306 50 0 GGAAHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N(Cc1ccccn1)C1CCCCC1 ZINC000534638554 570912476 /nfs/dbraw/zinc/91/24/76/570912476.db2.gz UQPRASLQCUWVHJ-UHFFFAOYSA-N -1 3 391.479 3.306 50 0 GGAAHM Cc1nc2sc([C@@H](c3ccc(C(C)C)cc3)N3CCC(O)CC3)c([O-])n2n1 ZINC000023157157 570920534 /nfs/dbraw/zinc/92/05/34/570920534.db2.gz XTAFLVAFLOUUDI-QGZVFWFLSA-N -1 3 386.521 3.474 50 0 GGAAHM Cc1nn(-c2ccccc2)c2ncc(C(=O)N3CCc4ccccc4C3)c([O-])c12 ZINC000015391740 570933847 /nfs/dbraw/zinc/93/38/47/570933847.db2.gz BYUYAANEFGPRQP-UHFFFAOYSA-N -1 3 384.439 3.221 50 0 GGAAHM Cc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OCc3ccccc3F)cc1)CC(=O)N2 ZINC000017028863 570937445 /nfs/dbraw/zinc/93/74/45/570937445.db2.gz SEOMDAPRMHWTSV-INIZCTEOSA-N -1 3 379.391 3.271 50 0 GGAAHM Cc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OCCc3ccccc3)cc1)CC(=O)N2 ZINC000017027888 570937501 /nfs/dbraw/zinc/93/75/01/570937501.db2.gz VNSYQIREAZGTBU-SFHVURJKSA-N -1 3 375.428 3.174 50 0 GGAAHM CC(C)NC(=O)N([O-])[C@@H]1N(C(C)C)C(=O)N(Cc2ccc(F)cc2)C1(C)C ZINC000001279108 570952749 /nfs/dbraw/zinc/95/27/49/570952749.db2.gz GKLXRIKSVYZZIJ-INIZCTEOSA-N -1 3 380.464 3.386 50 0 GGAAHM CC(C)(C(=O)[O-])N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000725240622 570974813 /nfs/dbraw/zinc/97/48/13/570974813.db2.gz RQJPJZWTGLIZQX-UHFFFAOYSA-N -1 3 394.471 3.416 50 0 GGAAHM CCOC(=O)[C@]([O-])(c1ccc(N(C)C(=O)c2cccs2)cc1)C(F)(F)F ZINC000004785906 570989728 /nfs/dbraw/zinc/98/97/28/570989728.db2.gz PZFDKZUSVHYKPA-MRXNPFEDSA-N -1 3 387.379 3.338 50 0 GGAAHM COc1c(F)cc(CN2C[C@@H]3c4ccccc4OC[C@]3(C(=O)[O-])C2)cc1F ZINC000095517904 571085040 /nfs/dbraw/zinc/08/50/40/571085040.db2.gz SQQYWXYDIWNTHW-JLTOFOAXSA-N -1 3 375.371 3.036 50 0 GGAAHM Cc1cccnc1NC(=O)c1c([O-])c2c(n(Cc3ccco3)c1=O)CCCC2 ZINC000002335965 1398308372 /nfs/dbraw/zinc/30/83/72/1398308372.db2.gz ACVDJOANBFCHEJ-UHFFFAOYSA-N -1 3 379.416 3.030 50 0 GGAAHM COc1ccccc1CN1C(=O)N(C(C)C)[C@H](N([O-])C(=O)NC(C)C)C1(C)C ZINC000003985298 1398375923 /nfs/dbraw/zinc/37/59/23/1398375923.db2.gz AXPIMUVUCVGOMR-QGZVFWFLSA-N -1 3 392.500 3.255 50 0 biogenic GGAAHM Cc1c(CC(=O)N[C@H](C)CCc2ccccc2)c(=O)oc2cc([O-])cc(O)c12 ZINC000008490569 1398834847 /nfs/dbraw/zinc/83/48/47/1398834847.db2.gz LBZAUJCRDQNSES-CYBMUJFWSA-N -1 3 381.428 3.193 50 0 biogenic GGAAHM CCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(CC)CCO3)cc1 ZINC000008961607 1398850835 /nfs/dbraw/zinc/85/08/35/1398850835.db2.gz KXTQJIHPCRANGU-UHFFFAOYSA-N -1 3 388.489 3.294 50 0 GGAAHM Cc1c([O-])ccc2c(C)c(CCC(=O)Nc3ccc4c(c3)OCO4)c(=O)oc12 ZINC000009348677 1398856954 /nfs/dbraw/zinc/85/69/54/1398856954.db2.gz OWPWQPOABWADBO-UHFFFAOYSA-N -1 3 381.384 3.415 50 0 GGAAHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1ccccc1OC ZINC000009646544 1398861699 /nfs/dbraw/zinc/86/16/99/1398861699.db2.gz IOIDYXHTVPWFIC-UHFFFAOYSA-N -1 3 391.470 3.175 50 0 GGAAHM CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(c1ccnc3c(C)cc(C)cc13)CC2 ZINC000082109560 1410026524 /nfs/dbraw/zinc/02/65/24/1410026524.db2.gz WDYKRBXWSVEFEV-LJQANCHMSA-N -1 3 381.476 3.144 50 0 GGAAHM Cc1ccnc(-n2cccc2-c2c(-c3ccccc3)ncn2Cc2nnn[n-]2)c1 ZINC000199322712 1433352748 /nfs/dbraw/zinc/35/27/48/1433352748.db2.gz NSVNESAVXWUKGL-UHFFFAOYSA-N -1 3 382.431 3.273 50 0 GGAAHM Cc1ccnc(-n2cccc2-c2c(-c3ccccc3)ncn2Cc2nn[n-]n2)c1 ZINC000199322712 1433352750 /nfs/dbraw/zinc/35/27/50/1433352750.db2.gz NSVNESAVXWUKGL-UHFFFAOYSA-N -1 3 382.431 3.273 50 0 GGAAHM COc1cc(CN2CCN(Cc3ccccc3)CC2)cc(Br)c1[O-] ZINC000019536774 210258025 /nfs/dbraw/zinc/25/80/25/210258025.db2.gz GBVWETTXONGVIH-UHFFFAOYSA-N -1 3 391.309 3.481 50 0 GGAAHM Cc1cc2ccccc2n1CCNC(=O)N1CCC[C@@H](c2cc(=O)[n-]cn2)C1 ZINC000426414647 231217517 /nfs/dbraw/zinc/21/75/17/231217517.db2.gz NAJXVSCGATVFES-QGZVFWFLSA-N -1 3 379.464 3.035 50 0 GGAAHM O=C(N[C@@H](CCn1cncn1)c1ccccc1)c1c[n-]nc1-c1cccs1 ZINC000426433695 231220432 /nfs/dbraw/zinc/22/04/32/231220432.db2.gz STYONJXBPVKZLX-INIZCTEOSA-N -1 3 378.461 3.291 50 0 GGAAHM Cc1nn(C)cc1CN(C)Cc1ccc(-c2nc(C3CCC3)cc(=O)[n-]2)cc1 ZINC000019222400 210233400 /nfs/dbraw/zinc/23/34/00/210233400.db2.gz KQVRRQORBFUHAV-UHFFFAOYSA-N -1 3 377.492 3.378 50 0 GGAAHM O=C([N-]c1nnc(S(=O)(=O)Cc2ccc(F)cc2)s1)c1ccccc1F ZINC000017043928 210201403 /nfs/dbraw/zinc/20/14/03/210201403.db2.gz PTDBTWDGSVZLRV-UHFFFAOYSA-N -1 3 395.412 3.043 50 0 GGAAHM CC1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)CC1 ZINC000015734819 210167641 /nfs/dbraw/zinc/16/76/41/210167641.db2.gz OUXOHVBFCWJBCC-UHFFFAOYSA-N -1 3 376.453 3.499 50 0 GGAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1cccc(O)c1 ZINC000013748214 210088775 /nfs/dbraw/zinc/08/87/75/210088775.db2.gz WBFBHGZYXQPKOV-QHAWAJNXSA-N -1 3 386.407 3.443 50 0 GGAAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(O)cc1 ZINC000013688747 210079605 /nfs/dbraw/zinc/07/96/05/210079605.db2.gz QKTFXYYTRSOINQ-NJDAHSKKSA-N -1 3 386.407 3.443 50 0 GGAAHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCSc2ccc(Cl)cc2)cc1 ZINC000004809170 209526167 /nfs/dbraw/zinc/52/61/67/209526167.db2.gz SBMNYKRXTROJIA-UHFFFAOYSA-N -1 3 384.910 3.234 50 0 GGAAHM Cc1nnc([N-]C(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)s1 ZINC000002781600 209385223 /nfs/dbraw/zinc/38/52/23/209385223.db2.gz PKDFVKBJMFGPHF-UHFFFAOYSA-N -1 3 396.270 3.316 50 0 GGAAHM Cc1ccn([C@H](C)c2n[n-]c(=S)n2-c2cnn(Cc3ccc(C)cc3)c2)n1 ZINC000002809540 209387806 /nfs/dbraw/zinc/38/78/06/209387806.db2.gz BOHALHNJHPTTQQ-OAHLLOKOSA-N -1 3 379.493 3.223 50 0 GGAAHM COc1ccc(CN[C@H](CC(=O)c2ccc(Br)cc2)C(=O)[O-])cc1 ZINC000002570978 209369443 /nfs/dbraw/zinc/36/94/43/209369443.db2.gz TWCOTRAOVBMTGI-MRXNPFEDSA-N -1 3 392.249 3.274 50 0 GGAAHM [O-]c1cc(O)ccc1-c1nc2c3cnn(-c4ccc(Cl)cc4)c3ncn2n1 ZINC000002406564 209361153 /nfs/dbraw/zinc/36/11/53/209361153.db2.gz XQLDATLILRTPRQ-UHFFFAOYSA-N -1 3 378.779 3.195 50 0 GGAAHM CCOC(=O)[C@@]([O-])(c1ccc(NC(=O)Cc2ccccc2)c(C)c1)C(F)(F)F ZINC000002401707 209361190 /nfs/dbraw/zinc/36/11/90/209361190.db2.gz NFJIIPRNTDFJAZ-IBGZPJMESA-N -1 3 395.377 3.489 50 0 GGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)nc(CN2CCCC2)n3C)cc1 ZINC000002348473 209359076 /nfs/dbraw/zinc/35/90/76/209359076.db2.gz PKYKCYYZFHBZPM-UHFFFAOYSA-N -1 3 384.505 3.278 50 0 GGAAHM CCOC(=O)N[C@@]([N-]c1cccc(C(F)(F)F)c1)(C(=O)OC)C(F)(F)F ZINC000002305916 209356078 /nfs/dbraw/zinc/35/60/78/209356078.db2.gz DZXSIQXZKQOMSV-LBPRGKRZSA-N -1 3 388.264 3.295 50 0 GGAAHM COP(=O)(OC)[C@H]([N-]S(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl ZINC000002310425 209355790 /nfs/dbraw/zinc/35/57/90/209355790.db2.gz ZRJQPLJJBIFPLE-VIFPVBQESA-N -1 3 396.616 3.147 50 0 GGAAHM COC(=O)c1ccc(S(=O)(=O)c2ccccc2)c([N-]C(=O)c2ccco2)c1 ZINC000001396156 209325392 /nfs/dbraw/zinc/32/53/92/209325392.db2.gz WRAXOJVHCCOJPQ-UHFFFAOYSA-N -1 3 385.397 3.151 50 0 GGAAHM [O-]C(c1ccccc1)=C1[C@@H](c2ccc(F)cc2)NC(=S)N[C@]1(O)C(F)(F)F ZINC000001317701 209319053 /nfs/dbraw/zinc/31/90/53/209319053.db2.gz FWOLYZZASPXYOH-JJRVBVJISA-N -1 3 398.381 3.095 50 0 GGAAHM O=C(Nc1cc(Cl)ccc1[O-])c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000001165750 209308307 /nfs/dbraw/zinc/30/83/07/209308307.db2.gz ARRZHUJAOCFWDX-UHFFFAOYSA-N -1 3 380.853 3.082 50 0 GGAAHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(Br)cc2F)cc1 ZINC000001078964 209298146 /nfs/dbraw/zinc/29/81/46/209298146.db2.gz NWBWRDNRQYVULH-UHFFFAOYSA-N -1 3 387.230 3.212 50 0 GGAAHM CCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccccc1[O-] ZINC000001060268 209294740 /nfs/dbraw/zinc/29/47/40/209294740.db2.gz DSNNSKALJDNOFD-UHFFFAOYSA-N -1 3 380.473 3.352 50 0 GGAAHM CCOC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000000982630 209285008 /nfs/dbraw/zinc/28/50/08/209285008.db2.gz SBVXNQIFNRKHOP-UHFFFAOYSA-N -1 3 383.853 3.391 50 0 GGAAHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)cc1 ZINC000000807240 209268063 /nfs/dbraw/zinc/26/80/63/209268063.db2.gz VFHSYBZRZWHRLI-UHFFFAOYSA-N -1 3 381.457 3.432 50 0 GGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1 ZINC000000705675 209261125 /nfs/dbraw/zinc/26/11/25/209261125.db2.gz NBTRAIIVJPUURM-UHFFFAOYSA-N -1 3 389.214 3.101 50 0 GGAAHM C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)[N-]N1C(=O)c2ccccc2C1=O ZINC000000671433 209258185 /nfs/dbraw/zinc/25/81/85/209258185.db2.gz TZMWRGXFVHOKKL-VIFPVBQESA-N -1 3 379.199 3.088 50 0 GGAAHM C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)[N-]N1C(=O)c2ccccc2C1=O ZINC000000671435 209257768 /nfs/dbraw/zinc/25/77/68/209257768.db2.gz TZMWRGXFVHOKKL-SECBINFHSA-N -1 3 379.199 3.088 50 0 GGAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(COc3ccc(F)cc3)o2)N1 ZINC000000655891 209255487 /nfs/dbraw/zinc/25/54/87/209255487.db2.gz PLWFIFWGCGULGB-MRXNPFEDSA-N -1 3 386.301 3.470 50 0 GGAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1 ZINC000009169784 209250458 /nfs/dbraw/zinc/25/04/58/209250458.db2.gz AAUFXWBPRALTTC-UHFFFAOYSA-N -1 3 388.489 3.431 50 0 GGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3)c(C)c1 ZINC000009169040 209250138 /nfs/dbraw/zinc/25/01/38/209250138.db2.gz BVTIPTJSJNEBDD-UHFFFAOYSA-N -1 3 390.461 3.162 50 0 GGAAHM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)ccc1F ZINC000009170117 209249922 /nfs/dbraw/zinc/24/99/22/209249922.db2.gz FASOKEXIYZPFMP-UHFFFAOYSA-N -1 3 392.452 3.316 50 0 GGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)c(C)c1 ZINC000009169968 209249831 /nfs/dbraw/zinc/24/98/31/209249831.db2.gz ZVIQCHDXVLSTDA-UHFFFAOYSA-N -1 3 388.489 3.486 50 0 GGAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3)cc1 ZINC000009168827 209248361 /nfs/dbraw/zinc/24/83/61/209248361.db2.gz XQCKFJGUZILJNX-UHFFFAOYSA-N -1 3 390.461 3.243 50 0 GGAAHM COC(=O)C[C@@H](c1ccc(OC)c(OC)c1)c1oc2ccccc2c(=O)c1[O-] ZINC000253412519 209218803 /nfs/dbraw/zinc/21/88/03/209218803.db2.gz RGCRGNIEZGVGQE-AWEZNQCLSA-N -1 3 384.384 3.211 50 0 biogenic GGAAHM [O-]C(c1ccccc1)=C1[C@H](c2ccc(F)cc2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000170591595 209185198 /nfs/dbraw/zinc/18/51/98/209185198.db2.gz FWOLYZZASPXYOH-ZQIUZPCESA-N -1 3 398.381 3.095 50 0 GGAAHM O=C1N[C@H](c2ccccc2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)C(F)F)N1 ZINC000005242265 212065571 /nfs/dbraw/zinc/06/55/71/212065571.db2.gz YCHBDOCDHQISDQ-KSMMKXTCSA-N -1 3 396.340 3.129 50 0 GGAAHM Cc1cc(COc2ccccc2)oc1C(=O)N[C@H]1C[C@H](c2cc(=O)[n-]cn2)C1 ZINC000253535493 211993468 /nfs/dbraw/zinc/99/34/68/211993468.db2.gz WXEXMJPAAGUXRW-SHTZXODSSA-N -1 3 379.416 3.339 50 0 GGAAHM CCOc1c(C)cc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(C)=O)CC3)cc1C ZINC000013697084 211701250 /nfs/dbraw/zinc/70/12/50/211701250.db2.gz NTHQYPQNINVTNY-UHFFFAOYSA-N -1 3 388.489 3.412 50 0 GGAAHM O=C1[C@H]2C(c3ccc(F)cc3)=NOC2=C([O-])N1c1cccc(C(F)(F)F)c1 ZINC000101361007 211399446 /nfs/dbraw/zinc/39/94/46/211399446.db2.gz LIJHUPDOOHISDH-ZFWWWQNUSA-N -1 3 378.281 3.137 50 0 GGAAHM O=C1[C@H]2C(c3ccc(F)cc3)=NOC2=C([O-])N1c1cccc(C(F)(F)F)c1 ZINC000101361008 211398790 /nfs/dbraw/zinc/39/87/90/211398790.db2.gz LIJHUPDOOHISDH-DZGCQCFKSA-N -1 3 378.281 3.137 50 0 GGAAHM CC(C)N1CCN(Cc2cc(-c3cccnc3)ccc2OCC(=O)[O-])C[C@H]1C ZINC000097551217 211367218 /nfs/dbraw/zinc/36/72/18/211367218.db2.gz PQSOPBQAYDTREB-QGZVFWFLSA-N -1 3 383.492 3.127 50 0 GGAAHM CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc(O)cc2)CCO1 ZINC000096223747 211319109 /nfs/dbraw/zinc/31/91/09/211319109.db2.gz ZXKOXSJVUAQRTE-MLGOLLRUSA-N -1 3 389.477 3.199 50 0 GGAAHM COc1ccc(-n2nc(C3CCOCC3)nc2-c2ccc3n[n-]nc3c2)cc1 ZINC000096148475 211309590 /nfs/dbraw/zinc/30/95/90/211309590.db2.gz LPOUXQGLUKFTNB-UHFFFAOYSA-N -1 3 376.420 3.108 50 0 GGAAHM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2cccc(O)c2)CCO1 ZINC000096230703 211321948 /nfs/dbraw/zinc/32/19/48/211321948.db2.gz NFVMPOCZCMJELM-BLLLJJGKSA-N -1 3 389.477 3.199 50 0 GGAAHM CCOC(=O)c1sc(NC(=O)c2[n-]nc3c2COc2ccccc2-3)nc1C ZINC000096231162 211321901 /nfs/dbraw/zinc/32/19/01/211321901.db2.gz MKAIHNOSWIKORU-UHFFFAOYSA-N -1 3 384.417 3.163 50 0 GGAAHM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2ccc(O)cc2)CCO1 ZINC000096223746 211320176 /nfs/dbraw/zinc/32/01/76/211320176.db2.gz ZXKOXSJVUAQRTE-LRDDRELGSA-N -1 3 389.477 3.199 50 0 GGAAHM O=c1[n-]n(C2CCOCC2)c2c1[C@H](c1ccc3ncccc3c1)SCC(=O)N2 ZINC000096118349 211302958 /nfs/dbraw/zinc/30/29/58/211302958.db2.gz BCUOIJXXBKBRFT-SFHVURJKSA-N -1 3 396.472 3.263 50 0 GGAAHM COc1ccccc1[C@@H]1SCC(=O)Nc2c1c(=O)[n-]n2C1CCSCC1 ZINC000096116660 211303119 /nfs/dbraw/zinc/30/31/19/211303119.db2.gz ZJWUSGPRCCTQHD-INIZCTEOSA-N -1 3 391.518 3.440 50 0 GGAAHM O=c1[n-]n(C2CCOCC2)c2c1[C@@H](c1ccc3ncccc3c1)SCC(=O)N2 ZINC000096118348 211302213 /nfs/dbraw/zinc/30/22/13/211302213.db2.gz BCUOIJXXBKBRFT-GOSISDBHSA-N -1 3 396.472 3.263 50 0 GGAAHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H](c3nccn3Cc3cscn3)C2)c1 ZINC000095517193 211264194 /nfs/dbraw/zinc/26/41/94/211264194.db2.gz BCDBWQGLCNPHQG-OAHLLOKOSA-N -1 3 382.489 3.422 50 0 GGAAHM Cc1nc(C)c(CN2CCC[C@H](C[N-]S(=O)(=O)c3cccs3)C2)s1 ZINC000095518996 211263829 /nfs/dbraw/zinc/26/38/29/211263829.db2.gz FLENIBIDKTZMJA-CQSZACIVSA-N -1 3 385.580 3.012 50 0 GGAAHM O=C1N[C@H](c2ccccc2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)C(F)F)N1 ZINC000016949379 211277527 /nfs/dbraw/zinc/27/75/27/211277527.db2.gz YCHBDOCDHQISDQ-PJIJBLCYSA-N -1 3 396.340 3.129 50 0 GGAAHM Cc1cc(C(=O)N2CCC[C@H](c3nccn3Cc3cscn3)C2)ccc1[O-] ZINC000095523746 211269159 /nfs/dbraw/zinc/26/91/59/211269159.db2.gz VBWAZZXAPZKEGW-INIZCTEOSA-N -1 3 382.489 3.422 50 0 GGAAHM Cc1nc(CCNC(=O)C[C@H](c2ccccc2)c2ccccc2F)cc(=O)[n-]1 ZINC000095510648 211259204 /nfs/dbraw/zinc/25/92/04/211259204.db2.gz PDHNSZVVASOSMB-LJQANCHMSA-N -1 3 379.435 3.098 50 0 GGAAHM Cc1ccccc1[C@H](CC(=O)NCCc1cc(=O)[n-]c(C)n1)c1ccccc1 ZINC000095507495 211257233 /nfs/dbraw/zinc/25/72/33/211257233.db2.gz DCZOPYZHSKUDIG-OAQYLSRUSA-N -1 3 375.472 3.268 50 0 GGAAHM Cc1cc(=O)[n-]c(CCNC(=O)C[C@H](c2ccccc2)c2ccccc2C)n1 ZINC000095502187 211255742 /nfs/dbraw/zinc/25/57/42/211255742.db2.gz SWMGINXBNGWAEL-HXUWFJFHSA-N -1 3 375.472 3.268 50 0 GGAAHM Cc1ccc([O-])c(C(=O)N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)c1 ZINC000095501217 211253310 /nfs/dbraw/zinc/25/33/10/211253310.db2.gz UTLOWLBZJUWQHP-GOSISDBHSA-N -1 3 376.460 3.360 50 0 GGAAHM CC(C)n1ccnc1[C@H]1CCCN(C(=O)c2c[n-]c3c(F)cccc3c2=O)C1 ZINC000095499251 211252701 /nfs/dbraw/zinc/25/27/01/211252701.db2.gz PYEFRYBRMHMSID-AWEZNQCLSA-N -1 3 382.439 3.464 50 0 GGAAHM Cc1ccc(-c2ccc(CN3CCC4(CC3)[C@H](C(=O)[O-])CC(=O)N4C)cc2)o1 ZINC000095390912 211237578 /nfs/dbraw/zinc/23/75/78/211237578.db2.gz OTIGXQIHHSRLGZ-SFHVURJKSA-N -1 3 382.460 3.153 50 0 GGAAHM COCc1cc(=O)c([O-])c([C@H](CC(=O)OC)c2ccc(Cl)cc2Cl)o1 ZINC000095480477 211248947 /nfs/dbraw/zinc/24/89/47/211248947.db2.gz SPSOJRGNBKXDDY-GFCCVEGCSA-N -1 3 387.215 3.494 50 0 GGAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)CS[C@H]2c1cc2ccccc2n(C)c1=O ZINC000095473458 211246650 /nfs/dbraw/zinc/24/66/50/211246650.db2.gz XJWULJWNBYVOJZ-INIZCTEOSA-N -1 3 384.461 3.033 50 0 GGAAHM CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(Cc1ccc(C3CCCC3)s1)CC2 ZINC000095378336 211232547 /nfs/dbraw/zinc/23/25/47/211232547.db2.gz IJZMEJDANJTSHF-INIZCTEOSA-N -1 3 376.522 3.303 50 0 GGAAHM O=C([O-])c1cccc([C@@H]2CCCN(Cc3cnc(N4CCOCC4)s3)C2)c1 ZINC000095382363 211231937 /nfs/dbraw/zinc/23/19/37/211231937.db2.gz GWLGTOFYANJWCZ-QGZVFWFLSA-N -1 3 387.505 3.058 50 0 GGAAHM O=C(c1ccc([O-])cc1)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095367649 211227519 /nfs/dbraw/zinc/22/75/19/211227519.db2.gz FPNOIEBEQXUAKA-PWRODBHTSA-N -1 3 384.426 3.373 50 0 GGAAHM COc1ccc([C@@H](C(=O)[O-])N2CCCN(c3ccc(F)cc3)CC2)cc1F ZINC000095367507 211227469 /nfs/dbraw/zinc/22/74/69/211227469.db2.gz OOOQWTXNDLIGSH-IBGZPJMESA-N -1 3 376.403 3.311 50 0 GGAAHM O=C(c1ccc(N2CC(=O)[N-]C2=O)cc1)N1CCCC[C@@H]1c1cccc(F)c1 ZINC000095366614 211225889 /nfs/dbraw/zinc/22/58/89/211225889.db2.gz AKTRFUGPDUXXQR-GOSISDBHSA-N -1 3 381.407 3.249 50 0 GGAAHM CN1CC2(CCN(C(=O)c3cccc([O-])c3)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091943499 211209936 /nfs/dbraw/zinc/20/99/36/211209936.db2.gz JYJZFWCGOLTLCO-FQEVSTJZSA-N -1 3 378.472 3.261 50 0 GGAAHM CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(Cc1cccc(-c3ccccc3)c1)CC2 ZINC000095354902 211221570 /nfs/dbraw/zinc/22/15/70/211221570.db2.gz ZZZDOIYCRORASM-FQEVSTJZSA-N -1 3 378.472 3.251 50 0 GGAAHM O=C(NC[C@H](c1ccco1)N1CCCC1)c1cnc(-c2ccccc2)[n-]c1=O ZINC000092036865 211214721 /nfs/dbraw/zinc/21/47/21/211214721.db2.gz DKCAYBXBMXISGJ-QGZVFWFLSA-N -1 3 378.432 3.009 50 0 GGAAHM CN1CC2(CCN(C(=O)c3ccccc3[O-])CC2)C[C@H](c2ccccc2)C1=O ZINC000092065850 211213644 /nfs/dbraw/zinc/21/36/44/211213644.db2.gz NAJVPMVRJZSUSQ-LJQANCHMSA-N -1 3 378.472 3.261 50 0 GGAAHM CSCCCNC(=O)c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O ZINC000091965237 211212846 /nfs/dbraw/zinc/21/28/46/211212846.db2.gz REUIARAKNASCBV-UHFFFAOYSA-N -1 3 386.304 3.150 50 0 GGAAHM CN1CC2(CCN(C(=O)c3ccc([O-])cc3)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091616294 211199350 /nfs/dbraw/zinc/19/93/50/211199350.db2.gz VYNMTHCBPYVPCQ-FQEVSTJZSA-N -1 3 378.472 3.261 50 0 GGAAHM COCCC[C@]1(C(=O)[O-])CCCN(Cc2cnn(-c3cccc(F)c3)c2)C1 ZINC000091849361 211207809 /nfs/dbraw/zinc/20/78/09/211207809.db2.gz XWQIXFODATWJFU-HXUWFJFHSA-N -1 3 375.444 3.105 50 0 GGAAHM Cc1cc(C(=O)N2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)ccc1[O-] ZINC000091848965 211207830 /nfs/dbraw/zinc/20/78/30/211207830.db2.gz IVLNMZPEYPQERA-UHFFFAOYSA-N -1 3 393.487 3.141 50 0 GGAAHM Cc1cccc2nc([C@@H]3CCCN3C(=O)c3cnc(C(C)(C)C)[n-]c3=O)[nH]c21 ZINC000091426787 211193074 /nfs/dbraw/zinc/19/30/74/211193074.db2.gz UIZRXVGYBVFJEO-HNNXBMFYSA-N -1 3 379.464 3.229 50 0 GGAAHM CCCCOc1ccc(CN2CCC3(C[C@@H](C(=O)[O-])N(C(C)=O)C3)CC2)cc1 ZINC000082161507 211163516 /nfs/dbraw/zinc/16/35/16/211163516.db2.gz YLSVWQILNAGJJL-FQEVSTJZSA-N -1 3 388.508 3.153 50 0 GGAAHM O=C([O-])[C@H]1CC2(CN1C(=O)C1CC1)CCN(Cc1cc3ccccc3o1)CC2 ZINC000072470212 211122150 /nfs/dbraw/zinc/12/21/50/211122150.db2.gz YCSQSHKOTXNQNZ-GOSISDBHSA-N -1 3 382.460 3.111 50 0 GGAAHM C/C(=C\c1ccccc1)CN1CCC2(C[C@@H](C(=O)[O-])N(C(=O)C3CC3)C2)CC1 ZINC000072429599 211118925 /nfs/dbraw/zinc/11/89/25/211118925.db2.gz NYLNFPAXOUJJST-NXNYUAIASA-N -1 3 382.504 3.268 50 0 GGAAHM CCC[C@@H](C)N1CC2(CCN(C(=O)c3ccc([O-])c(OC)c3)CC2)OC1=O ZINC000072421176 211115205 /nfs/dbraw/zinc/11/52/05/211115205.db2.gz SFELQEBZDMBQAM-CQSZACIVSA-N -1 3 376.453 3.016 50 0 GGAAHM O=C(c1ccc2n[n-]nc2c1)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000072410430 211113827 /nfs/dbraw/zinc/11/38/27/211113827.db2.gz HTINCZCBBBEGFW-RBDMOPTHSA-N -1 3 376.460 3.250 50 0 GGAAHM COCc1nnc([N-]C(=O)c2sc(C)nc2-c2ccc(OC)cc2)s1 ZINC000072402728 211112650 /nfs/dbraw/zinc/11/26/50/211112650.db2.gz FFWOYIBQUNEFKE-UHFFFAOYSA-N -1 3 376.463 3.377 50 0 GGAAHM COc1cc(OC)cc(-c2nn3c(nnc3-c3cc(CC(C)C)n[n-]3)s2)c1 ZINC000072333581 211091566 /nfs/dbraw/zinc/09/15/66/211091566.db2.gz RJOGXIIJDQIZSB-UHFFFAOYSA-N -1 3 384.465 3.459 50 0 GGAAHM O=C(c1ccc(Cl)c(F)c1)N1CCc2c(=O)[n-]c(-c3ccccc3)nc2C1 ZINC000072168281 211079584 /nfs/dbraw/zinc/07/95/84/211079584.db2.gz YUUZPGHBXKIJJG-UHFFFAOYSA-N -1 3 383.810 3.428 50 0 GGAAHM COc1ccc(N[C@@H]2CCCN(C(=O)c3cc(=O)c4ccccc4[n-]3)C2)cc1 ZINC000072162102 211077818 /nfs/dbraw/zinc/07/78/18/211077818.db2.gz GIKFZPSOTLSGDM-MRXNPFEDSA-N -1 3 377.444 3.253 50 0 GGAAHM CC(C)[C@H]1CN(C(=O)c2ccccc2[O-])CCC(=O)N1Cc1ccc(F)cc1 ZINC000071765139 211060724 /nfs/dbraw/zinc/06/07/24/211060724.db2.gz JBXXZQRBAJLKST-LJQANCHMSA-N -1 3 384.451 3.431 50 0 GGAAHM CCOC(=O)C[C@@H](c1ccc(Cl)cc1Cl)c1oc(CO)cc(=O)c1[O-] ZINC000071280146 211043062 /nfs/dbraw/zinc/04/30/62/211043062.db2.gz NXWCFBWFBWTIRS-LBPRGKRZSA-N -1 3 387.215 3.230 50 0 GGAAHM CCOC(=O)C[C@H](c1oc(CO)cc(=O)c1[O-])c1c(Cl)cccc1Cl ZINC000071281310 211042718 /nfs/dbraw/zinc/04/27/18/211042718.db2.gz VUGGUTVLDPCRAS-JTQLQIEISA-N -1 3 387.215 3.230 50 0 GGAAHM CN(C)c1ccc([C@H](O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000090746474 211038529 /nfs/dbraw/zinc/03/85/29/211038529.db2.gz JTVHPMNEVXXRTG-OAHLLOKOSA-N -1 3 389.304 3.071 50 0 GGAAHM Cc1ccc(NC2(C(=O)N3CCC(c4cc(=O)[n-]cn4)CC3)CCCC2)cc1 ZINC000067459425 211010452 /nfs/dbraw/zinc/01/04/52/211010452.db2.gz YLFYDNQRKGONHG-UHFFFAOYSA-N -1 3 380.492 3.209 50 0 GGAAHM CCCN1CCc2nc(SCC(=O)Nc3ccccc3CC)[n-]c(=O)c2C1 ZINC000067291724 211006643 /nfs/dbraw/zinc/00/66/43/211006643.db2.gz PCSAJMLGFNCYAM-UHFFFAOYSA-N -1 3 386.521 3.244 50 0 GGAAHM CCCN1CCc2nc(SCC(=O)Nc3cccc(CC)c3)[n-]c(=O)c2C1 ZINC000067291782 211006141 /nfs/dbraw/zinc/00/61/41/211006141.db2.gz GQTOLCALWVQHJW-UHFFFAOYSA-N -1 3 386.521 3.244 50 0 GGAAHM COc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(Cc4ccccc4)CC3)c2c1 ZINC000020714271 210356228 /nfs/dbraw/zinc/35/62/28/210356228.db2.gz ACOCEQJNFCPYIN-NRFANRHFSA-N -1 3 379.460 3.120 50 0 GGAAHM COc1cccc2c([C@H](C(=O)[O-])N3CCN(c4ccc(F)cc4)CC3)c[nH]c21 ZINC000020745130 210359469 /nfs/dbraw/zinc/35/94/69/210359469.db2.gz XLHRLFYMBHVYFU-HXUWFJFHSA-N -1 3 383.423 3.264 50 0 GGAAHM COc1ccccc1N1CCN([C@H](C(=O)[O-])c2c(C)[nH]c3ccccc32)CC1 ZINC000020721389 210357946 /nfs/dbraw/zinc/35/79/46/210357946.db2.gz UBAYKMDNGOARMR-NRFANRHFSA-N -1 3 379.460 3.433 50 0 GGAAHM CN(Cc1cnc2ccccn12)Cc1cccc(-c2nc3c(c(=O)[n-]2)CCC3)c1 ZINC000020539035 210346838 /nfs/dbraw/zinc/34/68/38/210346838.db2.gz DTISUUWZMSQOBL-UHFFFAOYSA-N -1 3 385.471 3.205 50 0 GGAAHM Cc1cccc(NC(=O)CSc2nc3c(nc[n-]c3=O)n2-c2ccccc2)c1 ZINC000020408244 210330517 /nfs/dbraw/zinc/33/05/17/210330517.db2.gz CHMIENUUIQJAQS-UHFFFAOYSA-N -1 3 391.456 3.148 50 0 GGAAHM [O-]c1ccc(CN2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)cc1Cl ZINC000020204446 210322451 /nfs/dbraw/zinc/32/24/51/210322451.db2.gz CSNOJQNUJMNTHN-SFHVURJKSA-N -1 3 378.875 3.254 50 0 GGAAHM CC(C)CCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1cccs1)C3 ZINC000019962273 210311280 /nfs/dbraw/zinc/31/12/80/210311280.db2.gz RZTFNDVKCACPPZ-GFCCVEGCSA-N -1 3 383.473 3.105 50 0 GGAAHM CCc1c(C)nc(-c2cccc(CN(C)CCn3nc(C)cc3C)c2)[n-]c1=O ZINC000019758948 210294184 /nfs/dbraw/zinc/29/41/84/210294184.db2.gz OCDOSMNWCIIXFG-UHFFFAOYSA-N -1 3 379.508 3.253 50 0 GGAAHM C[C@H](CCc1ccco1)NC(=O)COc1cc([O-])c2c(c1)OC(C)(C)CC2=O ZINC000008765224 221056975 /nfs/dbraw/zinc/05/69/75/221056975.db2.gz UBWKFCZJSUOTAD-CYBMUJFWSA-N -1 3 387.432 3.245 50 0 biogenic GGAAHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)CCO3)c1C ZINC000009828165 221091409 /nfs/dbraw/zinc/09/14/09/221091409.db2.gz 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CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC)cc1C ZINC000008962381 535402027 /nfs/dbraw/zinc/40/20/27/535402027.db2.gz KCFQURWWNFUVDZ-UHFFFAOYSA-N -1 3 388.489 3.494 50 0 GGAAHM O=C(NC(=S)Nc1ccccc1[O-])c1cccc(I)c1 ZINC000001183457 564184572 /nfs/dbraw/zinc/18/45/72/564184572.db2.gz LIXMWXWBHCBGGY-UHFFFAOYSA-N -1 3 398.225 3.124 50 0 GGAAHM O=C1[C@@H](c2ccccc2)S(=O)(=O)C=C([O-])N1c1ccc(Cl)c(Cl)c1 ZINC000003051032 564193640 /nfs/dbraw/zinc/19/36/40/564193640.db2.gz KCPTUSNGILSEIH-OAHLLOKOSA-N -1 3 384.240 3.023 50 0 GGAAHM CC(C)C(=O)N[C@H](NC(=S)Nc1ccccc1[O-])C(Cl)(Cl)Cl ZINC000003877974 564200425 /nfs/dbraw/zinc/20/04/25/564200425.db2.gz IHVCTGFIKRVJBP-LLVKDONJSA-N -1 3 384.716 3.147 50 0 GGAAHM O=C1N/C(=C/c2cc(Br)ccc2[O-])C(=O)N1Cc1ccccc1F ZINC000004472402 564203418 /nfs/dbraw/zinc/20/34/18/564203418.db2.gz NRSDNQVFTSHCMC-RIYZIHGNSA-N -1 3 391.196 3.387 50 0 GGAAHM CCC/C=C\C[C@]([N-]S(=O)(=O)c1ccccc1)(C(=O)OC)C(F)(F)F ZINC000004594302 564205188 /nfs/dbraw/zinc/20/51/88/564205188.db2.gz 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390.911 3.123 50 0 GGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)cc1OC ZINC000001431494 570263086 /nfs/dbraw/zinc/26/30/86/570263086.db2.gz ZTVCKPVUAYKBPV-UHFFFAOYSA-N -1 3 384.457 3.490 50 0 GGAAHM O=C([N-]c1ccc(Cl)cc1)c1nc(-c2cn(Cc3ccc(F)cc3)nn2)no1 ZINC000049410329 570266169 /nfs/dbraw/zinc/26/61/69/570266169.db2.gz LSCKENVRADZOHX-UHFFFAOYSA-N -1 3 398.785 3.421 50 0 GGAAHM CCOc1cc(C(=O)[N-]c2nnc(-c3ccno3)o2)cc(OCC)c1OCC ZINC000012234514 570276220 /nfs/dbraw/zinc/27/62/20/570276220.db2.gz BOMYMWBHODVCPP-UHFFFAOYSA-N -1 3 388.380 3.173 50 0 GGAAHM CC(C)Cc1cc(-c2nnc3sc(-c4ccc5c(c4)OCCO5)nn32)[n-]n1 ZINC000012324037 570314624 /nfs/dbraw/zinc/31/46/24/570314624.db2.gz UWAMLCKRYFJUNM-UHFFFAOYSA-N -1 3 382.449 3.213 50 0 GGAAHM COc1ccc(Cc2nn3c(nnc3-c3cc(CC(C)C)n[n-]3)s2)cc1OC ZINC000012323996 570314650 /nfs/dbraw/zinc/31/46/50/570314650.db2.gz PGOJTSABHOXYEW-UHFFFAOYSA-N -1 3 398.492 3.382 50 0 GGAAHM COC(=O)c1ccc(CSc2nc3[n-]ncc3c(=O)n2-c2ccccc2)cc1 ZINC000006187449 570318291 /nfs/dbraw/zinc/31/82/91/570318291.db2.gz VWUJMZUKOBYAKX-UHFFFAOYSA-N -1 3 392.440 3.188 50 0 GGAAHM COC(=O)c1ccc(CSc2nc3n[n-]cc3c(=O)n2-c2ccccc2)cc1 ZINC000006187449 570318296 /nfs/dbraw/zinc/31/82/96/570318296.db2.gz VWUJMZUKOBYAKX-UHFFFAOYSA-N -1 3 392.440 3.188 50 0 GGAAHM O=C(Nc1cccnc1)c1c([O-])c2c(n(Cc3ccccc3)c1=O)CCCC2 ZINC000004082753 570357097 /nfs/dbraw/zinc/35/70/97/570357097.db2.gz NIVRSVVKSYHBRU-UHFFFAOYSA-N -1 3 375.428 3.128 50 0 GGAAHM COc1ccc([C@H](NC(=O)Nc2ccc3nn[n-]c(=O)c3c2)C(C)C)cc1OC ZINC000604419796 570363655 /nfs/dbraw/zinc/36/36/55/570363655.db2.gz YNRPRFIOUCVQNT-GOSISDBHSA-N -1 3 397.435 3.266 50 0 GGAAHM COc1ccc([C@@H](NC(=O)Nc2ccc3nn[n-]c(=O)c3c2)C(C)C)cc1OC ZINC000604419798 570363731 /nfs/dbraw/zinc/36/37/31/570363731.db2.gz YNRPRFIOUCVQNT-SFHVURJKSA-N -1 3 397.435 3.266 50 0 GGAAHM CN1CCN(c2ccc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000004347361 570369984 /nfs/dbraw/zinc/36/99/84/570369984.db2.gz LJPCGAFEOFLDDB-UHFFFAOYSA-N -1 3 399.438 3.258 50 0 GGAAHM Cc1cc(N2N=C(c3cccc4ccccc43)C[C@@]2([O-])C(F)(F)F)nc(N)n1 ZINC000004942631 570378760 /nfs/dbraw/zinc/37/87/60/570378760.db2.gz BCBWBFKKFQQIQV-GOSISDBHSA-N -1 3 387.365 3.386 50 0 GGAAHM COCCN1CCCc2ccc([N-]S(=O)(=O)c3ccc(F)c(C)c3)cc21 ZINC000035588252 570402535 /nfs/dbraw/zinc/40/25/35/570402535.db2.gz FZEJDDJZFJXEJE-UHFFFAOYSA-N -1 3 378.469 3.334 50 0 GGAAHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2)c1ccccc1 ZINC000004779445 570405320 /nfs/dbraw/zinc/40/53/20/570405320.db2.gz HPUHHZSUOQZCFA-NRFANRHFSA-N -1 3 393.464 3.450 50 0 GGAAHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCCCCC1 ZINC000004809218 570406582 /nfs/dbraw/zinc/40/65/82/570406582.db2.gz LEHPHUFUVDSUJH-UHFFFAOYSA-N -1 3 388.489 3.269 50 0 GGAAHM Cc1nc(N2CCN(c3ccc(F)cc3)CC2)[n-]c(=O)c1Cc1ccccc1 ZINC000004818145 570408304 /nfs/dbraw/zinc/40/83/04/570408304.db2.gz YUOHRXWLIRPTAA-UHFFFAOYSA-N -1 3 378.451 3.135 50 0 GGAAHM O=C(N[C@H]1CC[C@H](O)CC1)c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O ZINC000247795775 570440483 /nfs/dbraw/zinc/44/04/83/570440483.db2.gz CMTOPKHLYGLOOU-XYPYZODXSA-N -1 3 396.274 3.113 50 0 GGAAHM O=c1[n-]c(=S)n(-c2ccccc2)c(O)c1[C@@H]1NCCc2c3ccccc3[nH]c21 ZINC000100758518 570441840 /nfs/dbraw/zinc/44/18/40/570441840.db2.gz IQXHSMNONIKKQE-SFHVURJKSA-N -1 3 390.468 3.317 50 0 biogenic GGAAHM CCOc1ccc(OCc2ccc(C(=O)N3NC=C[C@]3([O-])C(F)(F)F)o2)cc1 ZINC000006488250 570449684 /nfs/dbraw/zinc/44/96/84/570449684.db2.gz OCOJBMCCCWNAOZ-KRWDZBQOSA-N -1 3 398.337 3.340 50 0 GGAAHM COc1ccc(OCc2ccc(C(=O)N3NC=C[C@@]3([O-])C(F)(F)F)cc2)cc1 ZINC000006490678 570454431 /nfs/dbraw/zinc/45/44/31/570454431.db2.gz CLUVIHMUAKBJRA-GOSISDBHSA-N -1 3 394.349 3.357 50 0 GGAAHM NC(=O)c1cnc(NCCc2ccc([O-])c(Cl)c2)nc1NCc1ccccc1 ZINC000028641215 570462061 /nfs/dbraw/zinc/46/20/61/570462061.db2.gz OZRMEKAUZBKTTC-UHFFFAOYSA-N -1 3 397.866 3.201 50 0 GGAAHM Cc1ccc(C([O-])=C2[C@@H](c3cccs3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000006576927 570481019 /nfs/dbraw/zinc/48/10/19/570481019.db2.gz UCMYEYOMPOHFNP-ZENOOKHLSA-N -1 3 384.379 3.160 50 0 GGAAHM COc1ccc(NC(=O)c2cc(=O)c(OCc3ccccc3Cl)c[n-]2)cn1 ZINC000061720656 570503237 /nfs/dbraw/zinc/50/32/37/570503237.db2.gz LDFKVIUOJPAIDE-UHFFFAOYSA-N -1 3 385.807 3.263 50 0 GGAAHM CCOc1ccc(-c2cccc([N-]S(=O)(=O)c3ccc(OC)cc3)c2)nn1 ZINC000005204272 570506193 /nfs/dbraw/zinc/50/61/93/570506193.db2.gz BPBSEWREOVPLGA-UHFFFAOYSA-N -1 3 385.445 3.352 50 0 GGAAHM CC(=O)Nc1ccc(NC(=O)COc2cc([O-])c3c(c2)OC(C)(C)CC3=O)cc1 ZINC000006624187 570508160 /nfs/dbraw/zinc/50/81/60/570508160.db2.gz UEHSUUVWQIHXEP-UHFFFAOYSA-N -1 3 398.415 3.112 50 0 biogenic GGAAHM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3c(C)cc(C)cc3C)n2)cc1 ZINC000007668438 570511603 /nfs/dbraw/zinc/51/16/03/570511603.db2.gz GUNFMHUIZNRHBU-UHFFFAOYSA-N -1 3 387.461 3.149 50 0 GGAAHM Cc1c([O-])ccc2c(C)c(CC(=O)N3CCN(c4ccccc4)CC3)c(=O)oc12 ZINC000006660891 570524877 /nfs/dbraw/zinc/52/48/77/570524877.db2.gz HWCVHOCNEAQSEO-UHFFFAOYSA-N -1 3 392.455 3.007 50 0 GGAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)Nc3ccc(F)cc3F)cc2O1 ZINC000006662741 570526294 /nfs/dbraw/zinc/52/62/94/570526294.db2.gz IVJOHNGNMTXWHL-UHFFFAOYSA-N -1 3 377.343 3.432 50 0 GGAAHM NC(=O)CC[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000034194589 570531913 /nfs/dbraw/zinc/53/19/13/570531913.db2.gz YYDGZQRGAMRHNE-NRFANRHFSA-N -1 3 388.467 3.287 50 0 GGAAHM CCOc1ccc(NC(=N)Nc2nc(CSc3ncccn3)cc(=O)[n-]2)cc1 ZINC000009089657 570548355 /nfs/dbraw/zinc/54/83/55/570548355.db2.gz GXYMJNVGXAKOGX-UHFFFAOYSA-N -1 3 397.464 3.122 50 0 GGAAHM CCn1c(SCC(=O)NCCc2ccccc2)nnc1-c1ccccc1[O-] ZINC000009236173 570553271 /nfs/dbraw/zinc/55/32/71/570553271.db2.gz KJGRDMYPZFGQHT-UHFFFAOYSA-N -1 3 382.489 3.122 50 0 GGAAHM CC(=O)Nc1ccc(C(=O)CSc2nc3nc(C)cc(C)c3c(=O)[n-]2)cc1 ZINC000009438765 570558328 /nfs/dbraw/zinc/55/83/28/570558328.db2.gz VXOVJISNMWCTOB-UHFFFAOYSA-N -1 3 382.445 3.281 50 0 GGAAHM COc1cc(NC(=O)Cc2c(C)c3ccc([O-])c(C)c3oc2=O)cc(OC)c1 ZINC000005350698 570558998 /nfs/dbraw/zinc/55/89/98/570558998.db2.gz CNOYDAPESMGHMH-UHFFFAOYSA-N -1 3 383.400 3.314 50 0 GGAAHM COC(=O)c1ccc(C(=O)OC)c([N-]C(=O)c2ncc(-c3ccccc3)o2)c1 ZINC000206584486 570563178 /nfs/dbraw/zinc/56/31/78/570563178.db2.gz IEEHZGAAWJXOPR-UHFFFAOYSA-N -1 3 380.356 3.167 50 0 GGAAHM O=S(=O)([N-]C[C@@H](c1ccco1)N1CCc2ccccc2C1)c1cccs1 ZINC000022907136 570563624 /nfs/dbraw/zinc/56/36/24/570563624.db2.gz IFBWBRCFAPFVAF-KRWDZBQOSA-N -1 3 388.514 3.419 50 0 GGAAHM O=C1[C@H]2C(C3=Cc4ccccc4OC3)=NOC2=C([O-])N1c1ccc(F)c(Cl)c1 ZINC000006754725 570570621 /nfs/dbraw/zinc/57/06/21/570570621.db2.gz ZZHUWJGDLSDETH-FUHWJXTLSA-N -1 3 398.777 3.199 50 0 GGAAHM O=C(Nc1ccc(F)cc1)c1c([O-])c2c(n(Cc3ccco3)c1=O)CCCC2 ZINC000005522328 570625872 /nfs/dbraw/zinc/62/58/72/570625872.db2.gz SEBQXNRJHSPQFQ-UHFFFAOYSA-N -1 3 382.391 3.465 50 0 GGAAHM O=C(CCCCCn1nnc2ccccc2c1=O)Nc1cc(Cl)ccc1[O-] ZINC000036360154 570641942 /nfs/dbraw/zinc/64/19/42/570641942.db2.gz ZYAHKCVZBMVGEH-UHFFFAOYSA-N -1 3 386.839 3.350 50 0 GGAAHM CCOC(=O)[C@]([N-]c1ccccc1)(NC(=O)COc1ccccc1)C(F)(F)F ZINC000012412301 570656388 /nfs/dbraw/zinc/65/63/88/570656388.db2.gz ALTMZJMKWMSVGU-SFHVURJKSA-N -1 3 396.365 3.115 50 0 GGAAHM CCOC(=O)[C@]([N-]c1cccc(C(F)(F)F)c1)(NC(=O)CC)C(F)(F)F ZINC000012418330 570657231 /nfs/dbraw/zinc/65/72/31/570657231.db2.gz SDYVKNAVQFHCGS-ZDUSSCGKSA-N -1 3 386.292 3.465 50 0 GGAAHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccncc1 ZINC000229995665 570667931 /nfs/dbraw/zinc/66/79/31/570667931.db2.gz GXCOQECPHALNOB-PWRODBHTSA-N -1 3 385.423 3.441 50 0 GGAAHM COc1cccc(NC(=O)c2c([O-])c3c(n(Cc4ccco4)c2=O)CCCC3)c1 ZINC000005607273 570668463 /nfs/dbraw/zinc/66/84/63/570668463.db2.gz NXCNWLACPHNRKO-UHFFFAOYSA-N -1 3 394.427 3.335 50 0 GGAAHM Cc1ccccc1Cc1c(C)nc(N2CCN(Cc3ccccc3)CC2)[n-]c1=O ZINC000054253593 570676693 /nfs/dbraw/zinc/67/66/93/570676693.db2.gz WMUGSVGZGPEZRA-UHFFFAOYSA-N -1 3 388.515 3.300 50 0 GGAAHM Cc1ccc(OCCc2nnc([N-]C(=O)c3ccc(CN(C)C)o3)s2)cc1 ZINC000055099146 570682386 /nfs/dbraw/zinc/68/23/86/570682386.db2.gz PAUQKXMRWDVIPW-UHFFFAOYSA-N -1 3 386.477 3.375 50 0 GGAAHM Cc1nccn1CC1CCN(Cc2cc(Cl)ccc2OCC(=O)[O-])CC1 ZINC000244691587 570694870 /nfs/dbraw/zinc/69/48/70/570694870.db2.gz JFKRJDNBGQENRP-UHFFFAOYSA-N -1 3 377.872 3.221 50 0 GGAAHM COc1ccc(C)cc1[C@@H](C(=O)[O-])N(CCCn1ccnc1)Cc1ccncc1 ZINC000055404804 570694925 /nfs/dbraw/zinc/69/49/25/570694925.db2.gz QAYBKHOVCGRREA-NRFANRHFSA-N -1 3 394.475 3.313 50 0 GGAAHM Cn1cc(-c2cc(C[N-]S(=O)(=O)c3c(Cl)cccc3Cl)ccn2)cn1 ZINC000585150055 570712684 /nfs/dbraw/zinc/71/26/84/570712684.db2.gz MYNUUOONQBVOFQ-UHFFFAOYSA-N -1 3 397.287 3.267 50 0 GGAAHM COc1ccc(F)cc1S(=O)(=O)[N-]Cc1ccc([C@H](O)c2ccco2)s1 ZINC000206685937 570717676 /nfs/dbraw/zinc/71/76/76/570717676.db2.gz CRHHUBHQTKEHJH-QGZVFWFLSA-N -1 3 397.449 3.049 50 0 GGAAHM C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)Nc2ccccc2[O-])n1C ZINC000004736186 570729611 /nfs/dbraw/zinc/72/96/11/570729611.db2.gz KBEIOMBJNMVLLF-CYBMUJFWSA-N -1 3 384.461 3.392 50 0 GGAAHM O=S(=O)([N-]Cc1nccnc1-c1ccncc1)c1ccccc1C(F)(F)F ZINC000585150650 570742756 /nfs/dbraw/zinc/74/27/56/570742756.db2.gz LBVNDCBFMKOSJZ-UHFFFAOYSA-N -1 3 394.378 3.036 50 0 GGAAHM O=c1[n-]n(C2CCCCC2)c2c1[C@@H](Cn1c3ccccc3oc1=O)CC(=O)N2 ZINC000065387292 570763950 /nfs/dbraw/zinc/76/39/50/570763950.db2.gz MOXBPRJJEKLVRR-GFCCVEGCSA-N -1 3 382.420 3.128 50 0 GGAAHM O=c1[n-]n(C2CCCCC2)c2c1[C@H](Cn1c3ccccc3oc1=O)CC(=O)N2 ZINC000065387291 570763993 /nfs/dbraw/zinc/76/39/93/570763993.db2.gz MOXBPRJJEKLVRR-LBPRGKRZSA-N -1 3 382.420 3.128 50 0 GGAAHM CSCc1noc(-c2nc3c([n-]2)C[C@H](c2ccc(Cl)cc2)CNC3=O)n1 ZINC000065530812 570772215 /nfs/dbraw/zinc/77/22/15/570772215.db2.gz CUNWUKWJNLTKIA-JTQLQIEISA-N -1 3 389.868 3.046 50 0 GGAAHM CSCc1noc(-c2nc3c([n-]2)C(=O)NC[C@@H](c2ccc(Cl)cc2)C3)n1 ZINC000065530812 570772216 /nfs/dbraw/zinc/77/22/16/570772216.db2.gz CUNWUKWJNLTKIA-JTQLQIEISA-N -1 3 389.868 3.046 50 0 GGAAHM CCOC(=O)c1csc(N2N=C(c3ccccc3)C[C@]2([O-])C(F)(F)F)n1 ZINC000004478277 570800793 /nfs/dbraw/zinc/80/07/93/570800793.db2.gz ZEQCGDOEODERSV-HNNXBMFYSA-N -1 3 385.367 3.185 50 0 GGAAHM COc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1C(=O)N1CCCCC1 ZINC000007361434 570833810 /nfs/dbraw/zinc/83/38/10/570833810.db2.gz KKBXBPPDQHAFRT-UHFFFAOYSA-N -1 3 388.489 3.431 50 0 GGAAHM O=C(CSc1nnc([N-]C(=O)c2ccco2)s1)Nc1ccc(F)cc1F ZINC000007388739 570836462 /nfs/dbraw/zinc/83/64/62/570836462.db2.gz JOOQQMZRYYNCEJ-UHFFFAOYSA-N -1 3 396.400 3.392 50 0 GGAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1cccnc1 ZINC000102005411 570840347 /nfs/dbraw/zinc/84/03/47/570840347.db2.gz CVCFJUHBGJCSBU-SLFFLAALSA-N -1 3 389.386 3.272 50 0 GGAAHM O=C(Nc1ccc(F)cc1)N1CCC(C[N-]S(=O)(=O)c2cccs2)CC1 ZINC000043962194 570845924 /nfs/dbraw/zinc/84/59/24/570845924.db2.gz PIONHAZSGCMRBI-UHFFFAOYSA-N -1 3 397.497 3.110 50 0 GGAAHM Nc1[n-]n(-c2ccccc2)c(=O)c1[C@@H](O)c1cccc(OCc2ccccc2)c1 ZINC000102411295 570847754 /nfs/dbraw/zinc/84/77/54/570847754.db2.gz BPDRIASEDWPKHH-NRFANRHFSA-N -1 3 387.439 3.409 50 0 GGAAHM Cc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1 ZINC000106213407 570954707 /nfs/dbraw/zinc/95/47/07/570954707.db2.gz ZFRUHMKBOJVGGP-RVKKMQEKSA-N -1 3 378.350 3.099 50 0 GGAAHM O=C(Nc1ccc2c(c1)OCCO2)c1cc(=O)c(OCc2ccccc2)c[n-]1 ZINC000012168162 570961183 /nfs/dbraw/zinc/96/11/83/570961183.db2.gz IEUXZIWDOKRKHW-UHFFFAOYSA-N -1 3 378.384 3.390 50 0 GGAAHM COc1cc(Nc2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2)nc(C)n1 ZINC000012226208 570968747 /nfs/dbraw/zinc/96/87/47/570968747.db2.gz ZVGURVAOEWUCDS-UHFFFAOYSA-N -1 3 388.424 3.477 50 0 GGAAHM COc1ccc(NC(C)=O)cc1NC(=O)c1cnc2ccc(Cl)cc2c1[O-] ZINC000044901535 570981932 /nfs/dbraw/zinc/98/19/32/570981932.db2.gz MFPUVUIRQFLCAY-UHFFFAOYSA-N -1 3 385.807 3.401 50 0 GGAAHM Cc1cc([N-]C(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)cs2)no1 ZINC000016651212 570994668 /nfs/dbraw/zinc/99/46/68/570994668.db2.gz GPPLCSKVOVGESX-UHFFFAOYSA-N -1 3 389.458 3.048 50 0 GGAAHM Cc1c([O-])ccc2c(C)c(CC(=O)NCCc3c[nH]c4ccccc34)c(=O)oc12 ZINC000004085523 1398379170 /nfs/dbraw/zinc/37/91/70/1398379170.db2.gz CNZKANKTXFLNIP-UHFFFAOYSA-N -1 3 390.439 3.498 50 0 biogenic GGAAHM CCOc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)cc1 ZINC000004270499 1398387935 /nfs/dbraw/zinc/38/79/35/1398387935.db2.gz RCRZDUAMSATHAS-UHFFFAOYSA-N -1 3 386.473 3.112 50 0 GGAAHM O=C1[N-]C(=O)c2cc(-c3ccc(/C=C4/N=C(c5ccccc5)OC4=O)o3)ccc21 ZINC000005773083 1398475714 /nfs/dbraw/zinc/47/57/14/1398475714.db2.gz KAYUCFPVIVLPDX-GZTJUZNOSA-N -1 3 384.347 3.175 50 0 GGAAHM COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]Cc1ccc(F)cc1 ZINC000008604956 1398841534 /nfs/dbraw/zinc/84/15/34/1398841534.db2.gz HQZWDAMOBQWJMI-UHFFFAOYSA-N -1 3 397.424 3.445 50 0 GGAAHM CCC(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2C1 ZINC000008977003 1398850655 /nfs/dbraw/zinc/85/06/55/1398850655.db2.gz UONIFAHICGXZEH-UHFFFAOYSA-N -1 3 376.453 3.230 50 0 GGAAHM Cc1c([O-])ccc2c(C)c(CCC(=O)Nc3ccc4c(c3)OCCO4)c(=O)oc12 ZINC000009215943 1398855406 /nfs/dbraw/zinc/85/54/06/1398855406.db2.gz JNWZXRCWYMATID-UHFFFAOYSA-N -1 3 395.411 3.458 50 0 GGAAHM CCC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@H]1c1ccccc1C ZINC000009378585 1398857978 /nfs/dbraw/zinc/85/79/78/1398857978.db2.gz SJCCZTACZIESCQ-IBGZPJMESA-N -1 3 385.489 3.454 50 0 GGAAHM CCOc1ccccc1-n1nnc(-c2nsc([N-]C(=O)c3ccco3)n2)c1C ZINC000009941243 1398871220 /nfs/dbraw/zinc/87/12/20/1398871220.db2.gz WEDYLVJKFOEFBM-UHFFFAOYSA-N -1 3 396.432 3.338 50 0 GGAAHM CCOC(=O)c1c(C)oc2c1c([O-])c(OC)c(Br)c2CN(C)C ZINC000022147332 1399440219 /nfs/dbraw/zinc/44/02/19/1399440219.db2.gz RDAYNRSLKOFBPM-UHFFFAOYSA-N -1 3 386.242 3.456 50 0 GGAAHM O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(CCc2nnn[n-]2)C1 ZINC000071738690 1423315855 /nfs/dbraw/zinc/31/58/55/1423315855.db2.gz BTNANUHWPVMISU-QGZVFWFLSA-N -1 3 377.448 3.129 50 0 GGAAHM O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(CCc2nn[n-]n2)C1 ZINC000071738690 1423315862 /nfs/dbraw/zinc/31/58/62/1423315862.db2.gz BTNANUHWPVMISU-QGZVFWFLSA-N -1 3 377.448 3.129 50 0 GGAAHM CC[C@@](C[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)(OC)c1ccccc1 ZINC000227685042 1433370146 /nfs/dbraw/zinc/37/01/46/1433370146.db2.gz YLGNPOYYKRPTCB-YYWHXJBOSA-N -1 3 393.549 3.253 50 0 GGAAHM CC[C@](C[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)(OC)c1ccccc1 ZINC000227685049 1433370354 /nfs/dbraw/zinc/37/03/54/1433370354.db2.gz YLGNPOYYKRPTCB-DZFGPLHGSA-N -1 3 393.549 3.253 50 0 GGAAHM O=C(NCC1(CO)CCOCC1)c1ccc(-c2cc(Cl)ccc2[O-])cc1 ZINC000426588961 231243440 /nfs/dbraw/zinc/24/34/40/231243440.db2.gz JSQCUHNPCJOLIZ-UHFFFAOYSA-N -1 3 375.852 3.232 50 0 GGAAHM CN(Cc1ccccc1CN1CCCC1)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000426497167 530001513 /nfs/dbraw/zinc/00/15/13/530001513.db2.gz IAJHAYBLNKRBCB-FQEVSTJZSA-N -1 3 381.476 3.250 50 0 GGAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccnc1-c1ccco1 ZINC000225662861 222688835 /nfs/dbraw/zinc/68/88/35/222688835.db2.gz GNVYJPCRHNNLGY-UHFFFAOYSA-N -1 3 378.837 3.482 50 0 GGAAHM O=C([N-]c1nnc(CS(=O)(=O)c2ccccc2)o1)c1cc2ccccc2o1 ZINC000010381658 212255994 /nfs/dbraw/zinc/25/59/94/212255994.db2.gz PEBVIKMWODFZTC-UHFFFAOYSA-N -1 3 383.385 3.042 50 0 GGAAHM CCOC(=O)[C@@]([O-])(c1ccc(N(C)C(=O)c2cccc(F)c2)cc1)C(F)(F)F ZINC000002050572 212262061 /nfs/dbraw/zinc/26/20/61/212262061.db2.gz WOWNKKMXIUYSDD-SFHVURJKSA-N -1 3 399.340 3.415 50 0 GGAAHM Cc1ccc(C([O-])=C2[C@H](c3cccs3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000001464494 212246499 /nfs/dbraw/zinc/24/64/99/212246499.db2.gz UCMYEYOMPOHFNP-XEZPLFJOSA-N -1 3 384.379 3.160 50 0 GGAAHM Cc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(F)cc2)cc1 ZINC000001464507 212246275 /nfs/dbraw/zinc/24/62/75/212246275.db2.gz UJFNHMRKXGRELJ-VKJFTORMSA-N -1 3 396.340 3.238 50 0 GGAAHM CCOc1nc(NC([O-])=NC(=O)c2c(F)cccc2F)nc(-c2ccccc2)n1 ZINC000001439778 212245311 /nfs/dbraw/zinc/24/53/11/212245311.db2.gz DQZMDXMKHMCUIV-UHFFFAOYSA-N -1 3 399.357 3.177 50 0 GGAAHM CCOc1nc(NC(=O)[N-]C(=O)c2c(F)cccc2F)nc(-c2ccccc2)n1 ZINC000001439778 212245313 /nfs/dbraw/zinc/24/53/13/212245313.db2.gz DQZMDXMKHMCUIV-UHFFFAOYSA-N -1 3 399.357 3.177 50 0 GGAAHM CCN1c2ccc([N-]S(=O)(=O)c3ccc(OCC(C)C)cc3)cc2CC1=O ZINC000010063737 212237794 /nfs/dbraw/zinc/23/77/94/212237794.db2.gz NYRIPKQHKJKDHK-UHFFFAOYSA-N -1 3 388.489 3.431 50 0 GGAAHM CCOc1c(C)cc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3CC)cc1C ZINC000010063739 212237290 /nfs/dbraw/zinc/23/72/90/212237290.db2.gz SJXAYEBXGSAQBM-UHFFFAOYSA-N -1 3 388.489 3.412 50 0 GGAAHM CCOc1ccc(CC[N-]S(=O)(=O)c2cc(F)ccc2OC)cc1OCC ZINC000001430041 212244204 /nfs/dbraw/zinc/24/42/04/212244204.db2.gz DDQCCEPKUANAQA-UHFFFAOYSA-N -1 3 397.468 3.153 50 0 GGAAHM CC(C)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3cccs3)o2)cc1 ZINC000010253687 212240548 /nfs/dbraw/zinc/24/05/48/212240548.db2.gz COYQIEUCZGYKEW-UHFFFAOYSA-N -1 3 377.447 3.233 50 0 GGAAHM O=S(=O)([N-]c1ccccc1F)c1cccc(S(=O)(=O)c2ccccc2)c1 ZINC000001136775 212222338 /nfs/dbraw/zinc/22/23/38/212222338.db2.gz ABIBCIPUPPVVLT-UHFFFAOYSA-N -1 3 391.445 3.459 50 0 GGAAHM O=C(COc1ccccc1)Nc1cccc(Oc2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000001141786 212222161 /nfs/dbraw/zinc/22/21/61/212222161.db2.gz WJGZPSOTMGSFFP-UHFFFAOYSA-N -1 3 388.379 3.380 50 0 GGAAHM Cc1cccc(C(=O)N2N=C(c3ccc(F)cc3)C[C@@]2(O)C(F)(F)F)c1[O-] ZINC000001092537 212216852 /nfs/dbraw/zinc/21/68/52/212216852.db2.gz UNTOESWUZLHDBQ-QGZVFWFLSA-N -1 3 382.313 3.341 50 0 GGAAHM Cn1cnc(S(=O)(=O)[N-]Cc2c(Cl)cccc2Oc2ccccc2)c1 ZINC000001032621 212207417 /nfs/dbraw/zinc/20/74/17/212207417.db2.gz SSDYYUJQYNBQCN-UHFFFAOYSA-N -1 3 377.853 3.344 50 0 GGAAHM COc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccccc3[O-])cc2C1=O ZINC000001031866 212207030 /nfs/dbraw/zinc/20/70/30/212207030.db2.gz YBEFJVYWXXFDKK-UHFFFAOYSA-N -1 3 388.379 3.454 50 0 GGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1OC ZINC000001012515 212204892 /nfs/dbraw/zinc/20/48/92/212204892.db2.gz BLAZZXOZBYLLTP-UHFFFAOYSA-N -1 3 390.230 3.406 50 0 GGAAHM COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)c(Cl)c1[O-] ZINC000000814126 212184014 /nfs/dbraw/zinc/18/40/14/212184014.db2.gz DWSCSCPSFDRLOP-MRXNPFEDSA-N -1 3 387.823 3.321 50 0 GGAAHM CCOC(=O)CCc1c(C(=O)OCC)[n-]c(C)c1C(=O)OCc1ccccc1 ZINC000000638383 212168471 /nfs/dbraw/zinc/16/84/71/212168471.db2.gz XOJORSYVKCEKNY-UHFFFAOYSA-N -1 3 387.432 3.353 50 0 GGAAHM COc1cc([C@@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OCc1ccccc1 ZINC000000642825 212168265 /nfs/dbraw/zinc/16/82/65/212168265.db2.gz SYQUVPGFBOJWDU-IBGZPJMESA-N -1 3 399.472 3.275 50 0 GGAAHM O=C1C[C@H](C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CN1c1ccccc1 ZINC000009035453 212160691 /nfs/dbraw/zinc/16/06/91/212160691.db2.gz ALFIPIOLUVENLY-CYBMUJFWSA-N -1 3 398.406 3.037 50 0 GGAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CC(OC)C3)cc2)cc1C ZINC000244970208 212133141 /nfs/dbraw/zinc/13/31/41/212133141.db2.gz HOARALGDFSXZSK-UHFFFAOYSA-N -1 3 376.478 3.030 50 0 GGAAHM O=S(=O)(Cc1ccc(F)cc1)[N-]C[C@@](O)(c1ccsc1)c1cccs1 ZINC000253404288 212136203 /nfs/dbraw/zinc/13/62/03/212136203.db2.gz QWPXXYUHTFMQGB-QGZVFWFLSA-N -1 3 397.518 3.304 50 0 GGAAHM O=S(=O)(Cc1ccc(F)cc1)[N-]C[C@](O)(c1ccsc1)c1cccs1 ZINC000253404286 212136217 /nfs/dbraw/zinc/13/62/17/212136217.db2.gz QWPXXYUHTFMQGB-KRWDZBQOSA-N -1 3 397.518 3.304 50 0 GGAAHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccnc2)c1 ZINC000245326854 212134256 /nfs/dbraw/zinc/13/42/56/212134256.db2.gz MEXIFCKJJODSBW-NJDAHSKKSA-N -1 3 385.423 3.441 50 0 GGAAHM CCOC(=O)c1c(C)c(I)[n-]c1C(=O)OC(C)(C)C ZINC000000638814 212099529 /nfs/dbraw/zinc/09/95/29/212099529.db2.gz LYZAXIZGUPQXFA-UHFFFAOYSA-N -1 3 379.194 3.060 50 0 GGAAHM CCn1c(S[C@H](C)C(=O)Nc2nccs2)nnc1-c1ccccc1[O-] ZINC000008391770 221039383 /nfs/dbraw/zinc/03/93/83/221039383.db2.gz TXHHTZFXFPUOFP-SNVBAGLBSA-N -1 3 375.479 3.246 50 0 GGAAHM CCS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2nc3ccc(C)cc3s2)n1 ZINC000008868070 221060802 /nfs/dbraw/zinc/06/08/02/221060802.db2.gz IZPMVBCFLMZWOR-UHFFFAOYSA-N -1 3 396.881 3.094 50 0 GGAAHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)c(C)c1 ZINC000008962489 221065808 /nfs/dbraw/zinc/06/58/08/221065808.db2.gz ORIUTDMMQKCVMV-UHFFFAOYSA-N -1 3 387.461 3.029 50 0 GGAAHM CCc1ccccc1N1C[C@H](c2nnc([N-]C(=O)c3ccco3)s2)CC1=O ZINC000008654690 221048792 /nfs/dbraw/zinc/04/87/92/221048792.db2.gz ORMSKDLGLWXIES-CYBMUJFWSA-N -1 3 382.445 3.466 50 0 GGAAHM COc1cc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C)c(OC)cc1Br ZINC000008714820 221051772 /nfs/dbraw/zinc/05/17/72/221051772.db2.gz UHQSYVWBLNBMIR-JQWIXIFHSA-N -1 3 392.315 3.323 50 0 GGAAHM Cn1cccc1[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1F)N1CCCCCC1 ZINC000011897702 221134212 /nfs/dbraw/zinc/13/42/12/221134212.db2.gz SGVISBSIQSTSDQ-SFHVURJKSA-N -1 3 397.491 3.199 50 0 GGAAHM Cn1cccc1[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1F)N1CCCCCC1 ZINC000011897701 221134536 /nfs/dbraw/zinc/13/45/36/221134536.db2.gz SGVISBSIQSTSDQ-GOSISDBHSA-N -1 3 397.491 3.199 50 0 GGAAHM COc1cccc(COc2c[n-]c(C(=O)Nc3ccc4c(c3)OCO4)cc2=O)c1 ZINC000012169290 221161062 /nfs/dbraw/zinc/16/10/62/221161062.db2.gz ZFTMCESAEXSVFG-UHFFFAOYSA-N -1 3 394.383 3.356 50 0 GGAAHM COC(=O)c1ccc(NC(=O)c2cc(=O)c(OCc3ccccc3)c[n-]2)cc1 ZINC000012168139 221161553 /nfs/dbraw/zinc/16/15/53/221161553.db2.gz PKWGXHGLRZPWRJ-UHFFFAOYSA-N -1 3 378.384 3.405 50 0 GGAAHM Cc1ccc(C([O-])=C2[C@H](c3ccc(C)cc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000012946403 221249251 /nfs/dbraw/zinc/24/92/51/221249251.db2.gz MOXGFSXLIUBXOG-TXPKVOOTSA-N -1 3 392.377 3.407 50 0 GGAAHM C[C@@H](Sc1nc2ccccc2c(=O)[n-]1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000013654893 221279505 /nfs/dbraw/zinc/27/95/05/221279505.db2.gz SCOKGMVYMLGPEJ-CYBMUJFWSA-N -1 3 392.484 3.244 50 0 GGAAHM COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3[O-])on2)CC1 ZINC000015973624 221353412 /nfs/dbraw/zinc/35/34/12/221353412.db2.gz CVRHTLFLVBROLW-UHFFFAOYSA-N -1 3 379.416 3.018 50 0 GGAAHM CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2Cl)ccc1OC ZINC000016647768 221368291 /nfs/dbraw/zinc/36/82/91/221368291.db2.gz JOCNRJCCHPLQKT-UHFFFAOYSA-N -1 3 382.869 3.289 50 0 GGAAHM CCC(=O)N1CCCc2ccc([N-]S(=O)(=O)Cc3ccccc3F)cc21 ZINC000017247907 221382388 /nfs/dbraw/zinc/38/23/88/221382388.db2.gz FTRYWHLDQRDDSS-UHFFFAOYSA-N -1 3 376.453 3.457 50 0 GGAAHM CCc1ccc(-n2c(O)c([C@H]3NCCc4ccccc43)c(=O)[n-]c2=S)cc1 ZINC000017046026 221375794 /nfs/dbraw/zinc/37/57/94/221375794.db2.gz VKNOCKSSMQUSKG-SFHVURJKSA-N -1 3 379.485 3.398 50 0 GGAAHM CCCn1c(=O)c(C(=O)N=c2[nH]c3ccccc3s2)c([O-])c2c1CCCC2 ZINC000018096945 221387144 /nfs/dbraw/zinc/38/71/44/221387144.db2.gz NOKXUNFQJZQPKG-UHFFFAOYSA-N -1 3 383.473 3.127 50 0 GGAAHM Cc1nccn1CCN(C)Cc1cccc(-c2nc3c(c(=O)[n-]2)CCCCC3)c1 ZINC000019113591 221396552 /nfs/dbraw/zinc/39/65/52/221396552.db2.gz LBOBJFUNDJQRQR-UHFFFAOYSA-N -1 3 391.519 3.343 50 0 GGAAHM COc1ccccc1N1CCN([C@@H](C(=O)[O-])c2c(C)[nH]c3ccccc32)CC1 ZINC000020721386 221508781 /nfs/dbraw/zinc/50/87/81/221508781.db2.gz UBAYKMDNGOARMR-OAQYLSRUSA-N -1 3 379.460 3.433 50 0 GGAAHM COc1cccc(-c2ccc(C(=O)N3CCc4nc(C)[n-]c(=O)c4CC3)o2)c1 ZINC000426648154 533370494 /nfs/dbraw/zinc/37/04/94/533370494.db2.gz QFVIWLNUGDSWKY-UHFFFAOYSA-N -1 3 379.416 3.000 50 0 GGAAHM Cc1nc([C@H]2CCCN(c3ccc(-c4nc(CC(C)C)no4)cn3)C2)cc(=O)[n-]1 ZINC000072453658 136170762 /nfs/dbraw/zinc/17/07/62/136170762.db2.gz DLJAXQUUPBAPSU-INIZCTEOSA-N -1 3 394.479 3.106 50 0 GGAAHM Cc1cc(N2CCC(N(C)Cc3ccon3)CC2)nc(-c2ccccc2[O-])n1 ZINC000095507029 136180521 /nfs/dbraw/zinc/18/05/21/136180521.db2.gz INDSOXDQHHJDQK-UHFFFAOYSA-N -1 3 379.464 3.246 50 0 GGAAHM COc1ccc(S(=O)(=O)[N-]c2cc3c4c(c2)CCC(=O)N4CCC3)cc1C ZINC000005154093 136194580 /nfs/dbraw/zinc/19/45/80/136194580.db2.gz IYPTUZYPMPEQJA-UHFFFAOYSA-N -1 3 386.473 3.030 50 0 GGAAHM CN1CCN(c2ccc([N-]S(=O)(=O)c3ccc4ccccc4c3)cc2)CC1 ZINC000007109190 136195241 /nfs/dbraw/zinc/19/52/41/136195241.db2.gz ZMZUUMCJRWBPBC-UHFFFAOYSA-N -1 3 381.501 3.392 50 0 GGAAHM CCN1c2ccc([N-]S(=O)(=O)c3cc(C)c(OC)c(C)c3)cc2CCC1=O ZINC000008962382 136195794 /nfs/dbraw/zinc/19/57/94/136195794.db2.gz IFPYSROCRBVNAH-UHFFFAOYSA-N -1 3 388.489 3.412 50 0 GGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3C)cc1Cl ZINC000008962445 136195883 /nfs/dbraw/zinc/19/58/83/136195883.db2.gz TYMFVUQKJXSSJH-UHFFFAOYSA-N -1 3 380.853 3.058 50 0 GGAAHM O=S(=O)([N-]c1ccc(N2CCOCC2)c(Br)c1)c1ccccc1 ZINC000016651500 136202077 /nfs/dbraw/zinc/20/20/77/136202077.db2.gz URDRYQIZTLNFSE-UHFFFAOYSA-N -1 3 397.294 3.087 50 0 GGAAHM COc1ccc(OC)c2c(=O)c(CN3CCN(c4ccccc4)CC3)c(C)[n-]c12 ZINC000019793609 136202319 /nfs/dbraw/zinc/20/23/19/136202319.db2.gz DUHGJSTYJSJOLU-UHFFFAOYSA-N -1 3 393.487 3.176 50 0 GGAAHM [O-]c1ccc(CN2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)cc1Cl ZINC000023145017 221585987 /nfs/dbraw/zinc/58/59/87/221585987.db2.gz ZXJOVHHETRZGSD-INIZCTEOSA-N -1 3 396.865 3.393 50 0 GGAAHM Cc1cc2nc(SCC(=O)Nc3ccc(Br)cc3)[n-]c(=O)c2[nH]1 ZINC000057520963 222034976 /nfs/dbraw/zinc/03/49/76/222034976.db2.gz IWRQFAWWTQRUBN-UHFFFAOYSA-N -1 3 393.266 3.053 50 0 GGAAHM Cc1ccccc1NC(=O)CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1 ZINC000051316649 222004444 /nfs/dbraw/zinc/00/44/44/222004444.db2.gz NTPVULQENRIUCZ-UHFFFAOYSA-N -1 3 391.456 3.148 50 0 GGAAHM Cc1ccccc1NC(=O)CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1 ZINC000051316649 222004449 /nfs/dbraw/zinc/00/44/49/222004449.db2.gz NTPVULQENRIUCZ-UHFFFAOYSA-N -1 3 391.456 3.148 50 0 GGAAHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2cccnc2)cc1Cl ZINC000054363184 222013005 /nfs/dbraw/zinc/01/30/05/222013005.db2.gz BHCDTPSDRFNSDF-UHFFFAOYSA-N -1 3 375.675 3.284 50 0 GGAAHM COc1ccc(CN(Cc2cccc(C)c2)C(=O)c2cnc(C)[n-]c2=O)cc1 ZINC000055393012 222020194 /nfs/dbraw/zinc/02/01/94/222020194.db2.gz CVABDMZTOWAUEW-UHFFFAOYSA-N -1 3 377.444 3.238 50 0 GGAAHM COc1ccc(NC(=O)c2cc(=O)c(OCc3cccc(Cl)c3)c[n-]2)cn1 ZINC000061721590 222063360 /nfs/dbraw/zinc/06/33/60/222063360.db2.gz RFDWOAWKDPZDIT-UHFFFAOYSA-N -1 3 385.807 3.263 50 0 GGAAHM CC[C@@H]1CN(C(=O)c2cccc(OC)c2[O-])CCC(=O)N1Cc1ccccc1 ZINC000071749075 222189305 /nfs/dbraw/zinc/18/93/05/222189305.db2.gz RFVUKSUNSIUSQK-QGZVFWFLSA-N -1 3 382.460 3.054 50 0 GGAAHM Cc1cc(=O)[n-]c(NCCn2cnc(-c3ccccc3)c2-c2ccc(O)cc2)n1 ZINC000065403542 222128463 /nfs/dbraw/zinc/12/84/63/222128463.db2.gz QBMIYOTVJSFLFL-UHFFFAOYSA-N -1 3 387.443 3.427 50 0 GGAAHM Cc1ccsc1CNc1ccccc1C(=O)NCCc1cc(=O)[n-]c(C)n1 ZINC000065460115 222130657 /nfs/dbraw/zinc/13/06/57/222130657.db2.gz ACZKBCOSQLXHAD-UHFFFAOYSA-N -1 3 382.489 3.033 50 0 GGAAHM Cc1ccc(NC2(C(=O)N3CCC[C@H](c4cc(=O)[n-]cn4)C3)CCCC2)cc1 ZINC000065464449 222130987 /nfs/dbraw/zinc/13/09/87/222130987.db2.gz FFIYVPPAZPTSLL-KRWDZBQOSA-N -1 3 380.492 3.209 50 0 GGAAHM CCCN1CCc2nc(SCC(=O)Nc3cccc(C)c3C)[n-]c(=O)c2C1 ZINC000067291859 222143727 /nfs/dbraw/zinc/14/37/27/222143727.db2.gz HVFYTNLVAIHOSJ-UHFFFAOYSA-N -1 3 386.521 3.298 50 0 GGAAHM CCCN1CCc2nc(SCC(=O)Nc3ccc(C)c(F)c3)[n-]c(=O)c2C1 ZINC000067291779 222144039 /nfs/dbraw/zinc/14/40/39/222144039.db2.gz VXPUDZCFAFWMHD-UHFFFAOYSA-N -1 3 390.484 3.129 50 0 GGAAHM O=C([O-])c1cc2c(nc1N1CCN(Cc3cccc4[nH]ccc43)CC1)CCC2 ZINC000067473249 222146906 /nfs/dbraw/zinc/14/69/06/222146906.db2.gz STLOQGBJKLFMPJ-UHFFFAOYSA-N -1 3 376.460 3.072 50 0 GGAAHM O=c1cc(CN2CCc3[nH]nc(-c4ccc(Cl)cc4)c3C2)nc(C2CC2)[n-]1 ZINC000067679242 222154245 /nfs/dbraw/zinc/15/42/45/222154245.db2.gz CNMDFGDVLOYXIU-UHFFFAOYSA-N -1 3 381.867 3.249 50 0 GGAAHM Cc1cccc(C(=O)NCc2cccnc2N(C)CCc2ccccn2)c1[O-] ZINC000067675425 222154494 /nfs/dbraw/zinc/15/44/94/222154494.db2.gz OBBMHCUFFZZQNC-UHFFFAOYSA-N -1 3 376.460 3.100 50 0 GGAAHM Cc1ccc(C(=O)N2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)c([O-])c1 ZINC000067695560 222155392 /nfs/dbraw/zinc/15/53/92/222155392.db2.gz GBECLRMXMWRWAU-UHFFFAOYSA-N -1 3 378.384 3.283 50 0 GGAAHM CC(C)c1ncc(C(=O)N2CCC[C@H](c3[nH]ncc3-c3ccccc3)C2)c(=O)[n-]1 ZINC000067741138 222157590 /nfs/dbraw/zinc/15/75/90/222157590.db2.gz PQHFWLUPXGBKSX-INIZCTEOSA-N -1 3 391.475 3.303 50 0 GGAAHM Cc1cnc(C)c(-c2cc(O)c3c(c2)CN(C(=O)c2cccc([O-])c2)CCO3)n1 ZINC000067754354 222158301 /nfs/dbraw/zinc/15/83/01/222158301.db2.gz UBQFGNWAXMBKBP-UHFFFAOYSA-N -1 3 391.427 3.206 50 0 GGAAHM CC(C)c1ncc(C(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccccc3)C2)c(=O)[n-]1 ZINC000067741140 222158447 /nfs/dbraw/zinc/15/84/47/222158447.db2.gz PQHFWLUPXGBKSX-MRXNPFEDSA-N -1 3 391.475 3.303 50 0 GGAAHM COc1ccc([O-])c(C(=O)NCc2cccnc2N2CCc3ccccc3C2)c1 ZINC000067871511 222165091 /nfs/dbraw/zinc/16/50/91/222165091.db2.gz MEZXJZOXTZULHG-UHFFFAOYSA-N -1 3 389.455 3.289 50 0 GGAAHM Cc1ccc(C(=O)NCc2cccnc2N(C)CCc2ccccn2)c([O-])c1 ZINC000067934714 222168975 /nfs/dbraw/zinc/16/89/75/222168975.db2.gz UMIWLAYHLSFJAE-UHFFFAOYSA-N -1 3 376.460 3.100 50 0 GGAAHM COc1cc([C@@H]2CC(=O)Nc3c2c(=O)[n-]n3C2CCCC2)cc(OC)c1OC ZINC000071279201 222178586 /nfs/dbraw/zinc/17/85/86/222178586.db2.gz LJDXENXHDGHDIW-ZDUSSCGKSA-N -1 3 387.436 3.441 50 0 GGAAHM Cc1cccc(OCC(=O)N2CCc3c(nc(-c4ccccc4)[n-]c3=O)C2)c1C ZINC000072121932 222206728 /nfs/dbraw/zinc/20/67/28/222206728.db2.gz LEEQXHRALVRLIX-UHFFFAOYSA-N -1 3 389.455 3.017 50 0 GGAAHM O=C(c1ccc2ccccc2n1)N1CCc2c(nc(-c3ccccc3)[n-]c2=O)C1 ZINC000072140022 222211143 /nfs/dbraw/zinc/21/11/43/222211143.db2.gz FGYVQSTVEDGJOP-UHFFFAOYSA-N -1 3 382.423 3.184 50 0 GGAAHM Cc1ccc([O-])c(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c1 ZINC000072154044 222213464 /nfs/dbraw/zinc/21/34/64/222213464.db2.gz ACGLRHRNOLCYOQ-AWEZNQCLSA-N -1 3 392.377 3.250 50 0 GGAAHM CC[C@@H](Oc1ccccc1)C(=O)N1CCc2c(nc(-c3ccccc3)[n-]c2=O)C1 ZINC000072167621 222213877 /nfs/dbraw/zinc/21/38/77/222213877.db2.gz GVXQMKVEYPYQGR-HXUWFJFHSA-N -1 3 389.455 3.179 50 0 GGAAHM COC(=O)c1nc(NC([O-])=Cc2cn(C)c3ccccc23)sc1CC(C)C ZINC000072405920 222255045 /nfs/dbraw/zinc/25/50/45/222255045.db2.gz GRSUMADLTKZPGG-UHFFFAOYSA-N -1 3 385.489 3.223 50 0 GGAAHM Cc1cc(C(=O)N2CCC[C@H](c3cc(N4CCCC4)nc(C)n3)C2)ccc1[O-] ZINC000072447381 222262731 /nfs/dbraw/zinc/26/27/31/222262731.db2.gz LKDXINKNHYTELX-SFHVURJKSA-N -1 3 380.492 3.419 50 0 GGAAHM Cc1cc(C(=O)N2CCC[C@@H](c3cc(N4CCCC4)nc(C)n3)C2)ccc1[O-] ZINC000072447382 222262966 /nfs/dbraw/zinc/26/29/66/222262966.db2.gz LKDXINKNHYTELX-GOSISDBHSA-N -1 3 380.492 3.419 50 0 GGAAHM O=C([O-])[C@@H]1CC2(CN1C(=O)C1CC1)CCN(Cc1cc3ccccc3o1)CC2 ZINC000072470214 222263131 /nfs/dbraw/zinc/26/31/31/222263131.db2.gz YCSQSHKOTXNQNZ-SFHVURJKSA-N -1 3 382.460 3.111 50 0 GGAAHM COC(=O)COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C(C)C)cc1 ZINC000085412443 222323652 /nfs/dbraw/zinc/32/36/52/222323652.db2.gz GXNUUAHHCRDUCV-MRXNPFEDSA-N -1 3 375.450 3.195 50 0 GGAAHM COC(=O)c1[n-]nc(-c2ccc(OC)c(Br)c2)c1Br ZINC000095097256 222330891 /nfs/dbraw/zinc/33/08/91/222330891.db2.gz CBSWGKCDXHNITI-UHFFFAOYSA-N -1 3 390.031 3.397 50 0 GGAAHM COC(=O)c1n[n-]c(-c2ccc(OC)c(Br)c2)c1Br ZINC000095097256 222330894 /nfs/dbraw/zinc/33/08/94/222330894.db2.gz CBSWGKCDXHNITI-UHFFFAOYSA-N -1 3 390.031 3.397 50 0 GGAAHM Cc1ccccc1[C@@H](CC(=O)NCCc1cc(=O)[n-]c(C)n1)c1ccccc1 ZINC000095507494 222337781 /nfs/dbraw/zinc/33/77/81/222337781.db2.gz DCZOPYZHSKUDIG-NRFANRHFSA-N -1 3 375.472 3.268 50 0 GGAAHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)C[C@@H](c1ccccc1)c1ccccc1F)C2 ZINC000095512582 222342220 /nfs/dbraw/zinc/34/22/20/222342220.db2.gz BDXSQTNXVYKAIG-KRWDZBQOSA-N -1 3 377.419 3.282 50 0 GGAAHM COc1ccc(F)cc1S(=O)(=O)[N-]CC[C@@H](O)c1cccc2ccccc21 ZINC000077117899 222274755 /nfs/dbraw/zinc/27/47/55/222274755.db2.gz JAYXLMAYQRJOLR-GOSISDBHSA-N -1 3 389.448 3.390 50 0 GGAAHM O=C(c1ccc([O-])cc1)N1CCC2(CN(CCc3ccccc3)C(=O)O2)CC1 ZINC000077406409 222281345 /nfs/dbraw/zinc/28/13/45/222281345.db2.gz WHWPNDTXBBJUOB-UHFFFAOYSA-N -1 3 380.444 3.062 50 0 GGAAHM O=C(c1cccc([O-])c1)N1CCC2(CN(CCc3ccccc3)C(=O)O2)CC1 ZINC000077470999 222283368 /nfs/dbraw/zinc/28/33/68/222283368.db2.gz CQOUBYHRTPGUSH-UHFFFAOYSA-N -1 3 380.444 3.062 50 0 GGAAHM CC(C)(C)c1cc(CN2CCC(Oc3ccccc3F)(C(=O)[O-])CC2)n[nH]1 ZINC000082087695 222308113 /nfs/dbraw/zinc/30/81/13/222308113.db2.gz VMQGEBCIOLTHSX-UHFFFAOYSA-N -1 3 375.444 3.345 50 0 GGAAHM Cc1cccc(-c2ncc(C(=O)N3CCN(C4CCCCC4)CC3)c(=O)[n-]2)c1 ZINC000082096819 222309396 /nfs/dbraw/zinc/30/93/96/222309396.db2.gz PCCIJCGGBMJSSB-UHFFFAOYSA-N -1 3 380.492 3.248 50 0 GGAAHM Cc1nn(C(C)C)c(C)c1CNc1nc2c(c(=O)[n-]1)Cc1ccccc1OC2 ZINC000095523892 222349478 /nfs/dbraw/zinc/34/94/78/222349478.db2.gz ZQCPYRQNSOEJTC-UHFFFAOYSA-N -1 3 379.464 3.259 50 0 GGAAHM O=c1c2ccccc2c(C[N-]S(=O)(=O)c2cccs2)nn1C1CCCC1 ZINC000096096322 222378177 /nfs/dbraw/zinc/37/81/77/222378177.db2.gz XEUPXVJGYXCEKP-UHFFFAOYSA-N -1 3 389.502 3.052 50 0 GGAAHM O=S(=O)([N-]CCn1nc(C(F)(F)F)cc1C1CC1)c1ccc(Cl)s1 ZINC000096103773 222380141 /nfs/dbraw/zinc/38/01/41/222380141.db2.gz FSQAXZIOBJVYEO-UHFFFAOYSA-N -1 3 399.847 3.473 50 0 GGAAHM O=S(=O)([N-]Cc1nn(C2CCCC2)c2c1CCCC2)c1ccccc1F ZINC000096099245 222380178 /nfs/dbraw/zinc/38/01/78/222380178.db2.gz CJZBZWNCUUZFCN-UHFFFAOYSA-N -1 3 377.485 3.495 50 0 GGAAHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccsc1 ZINC000096103340 222380342 /nfs/dbraw/zinc/38/03/42/222380342.db2.gz XWFNAJHCVCMBSK-VIFPVBQESA-N -1 3 382.326 3.238 50 0 GGAAHM Cc1noc(C)c1S(=O)(=O)[N-]CCn1nc(-c2cccs2)cc1C1CC1 ZINC000096121618 222384023 /nfs/dbraw/zinc/38/40/23/222384023.db2.gz RYEYTHHNCMKOLZ-UHFFFAOYSA-N -1 3 392.506 3.072 50 0 GGAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CC[C@H](OC)C3)cc2)cc1F ZINC000096122373 222384093 /nfs/dbraw/zinc/38/40/93/222384093.db2.gz FCXDYRBMXRSZEC-INIZCTEOSA-N -1 3 394.468 3.250 50 0 GGAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CC[C@@H](OC)C3)cc2)cc1F ZINC000096122374 222384533 /nfs/dbraw/zinc/38/45/33/222384533.db2.gz FCXDYRBMXRSZEC-MRXNPFEDSA-N -1 3 394.468 3.250 50 0 GGAAHM COc1cccc2c(=O)c(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)c[n-]c12 ZINC000096223217 222398202 /nfs/dbraw/zinc/39/82/02/222398202.db2.gz BNQCXHDDUQAEKK-KRWDZBQOSA-N -1 3 388.427 3.390 50 0 GGAAHM COc1ccccc1C1=NO[C@H](C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000006738284 518168321 /nfs/dbraw/zinc/16/83/21/518168321.db2.gz XLGLUPMRHXMNGQ-INIZCTEOSA-N -1 3 391.221 3.295 50 0 GGAAHM CCOc1cc2c(cc1CN1CCC[C@@H](c3ccnn3CC(=O)[O-])C1)CCC2 ZINC000426441695 528338112 /nfs/dbraw/zinc/33/81/12/528338112.db2.gz CSRPFKZMSXJSFT-GOSISDBHSA-N -1 3 383.492 3.235 50 0 GGAAHM CCCN1c2ccc([N-]S(=O)(=O)c3ccc(OC)c(C)c3)cc2CCC1=O ZINC000013011086 535003506 /nfs/dbraw/zinc/00/35/06/535003506.db2.gz QJALMUZCAANGAP-UHFFFAOYSA-N -1 3 388.489 3.494 50 0 GGAAHM CCOC(=O)N[C@@]([N-]c1ccc(F)c(Cl)c1)(C(=O)OCC)C(F)(F)F ZINC000002274498 564186868 /nfs/dbraw/zinc/18/68/68/564186868.db2.gz FVMBLFGURJXCGA-ZDUSSCGKSA-N -1 3 386.729 3.459 50 0 GGAAHM Cc1nc([N-]C(=O)c2c(F)c(F)c(F)c(F)c2F)sc1C(=O)N(C)C ZINC000002767619 564189725 /nfs/dbraw/zinc/18/97/25/564189725.db2.gz AUPHPKMZIMKHQG-UHFFFAOYSA-N -1 3 379.310 3.101 50 0 GGAAHM CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c([O-])c(OC)c2)C1=O ZINC000004472134 564202930 /nfs/dbraw/zinc/20/29/30/564202930.db2.gz KAYQHVXSMKKGDP-LQGZHCLWSA-N -1 3 385.825 3.042 50 0 GGAAHM Cc1nc(-c2cccnc2)sc1CC[N-]S(=O)(=O)c1ccccc1F ZINC000004392371 564203536 /nfs/dbraw/zinc/20/35/36/564203536.db2.gz FVDSRJHIELIVQQ-UHFFFAOYSA-N -1 3 377.466 3.174 50 0 GGAAHM CS(=O)(=O)c1ccccc1C(=O)[N-]c1nnc(-c2ccc(Cl)cc2)o1 ZINC000004517792 564203747 /nfs/dbraw/zinc/20/37/47/564203747.db2.gz MIKZWORJORPLLX-UHFFFAOYSA-N -1 3 377.809 3.046 50 0 GGAAHM O=C(NCc1ccccc1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000004751290 564206658 /nfs/dbraw/zinc/20/66/58/564206658.db2.gz XTZNZVKILUBKFO-UHFFFAOYSA-N -1 3 399.299 3.364 50 0 GGAAHM COc1cccc(C2=NO[C@H](C(=O)Nc3cc(Br)ccc3[O-])C2)c1 ZINC000005029334 564211356 /nfs/dbraw/zinc/21/13/56/564211356.db2.gz IRTSIHWCTZUXSZ-INIZCTEOSA-N -1 3 391.221 3.295 50 0 GGAAHM O=c1nnc(SCc2ccc(Cl)cc2Cl)c(NC[C@H]2CCCO2)[n-]1 ZINC000005009570 564211439 /nfs/dbraw/zinc/21/14/39/564211439.db2.gz LVERYZSLNHVQOO-LLVKDONJSA-N -1 3 387.292 3.355 50 0 GGAAHM COc1cc(C(=S)N2CCC(C)CC2)cc(I)c1[O-] ZINC000006348766 564223281 /nfs/dbraw/zinc/22/32/81/564223281.db2.gz ZVTFATDIRDLXKB-UHFFFAOYSA-N -1 3 391.274 3.413 50 0 GGAAHM O=C(c1ccccc1Br)N1NC(C2CC2)=C[C@]1([O-])C(F)(F)F ZINC000006528599 564224519 /nfs/dbraw/zinc/22/45/19/564224519.db2.gz SUDKRDRLPORRNX-ZDUSSCGKSA-N -1 3 377.160 3.312 50 0 GGAAHM Cc1cc([N-]C(=O)c2cc(S(=O)(=O)NC3CCCCCC3)cs2)no1 ZINC000006681824 564227189 /nfs/dbraw/zinc/22/71/89/564227189.db2.gz KEIWWHGNUNBFOH-UHFFFAOYSA-N -1 3 383.495 3.298 50 0 GGAAHM O=C(Nc1cc(Br)ccc1[O-])[C@@H]1CC(c2ccccc2F)=NO1 ZINC000006738404 564227357 /nfs/dbraw/zinc/22/73/57/564227357.db2.gz BLYKIPBOYQAKFP-HNNXBMFYSA-N -1 3 379.185 3.426 50 0 GGAAHM COc1cc(S(=O)(=O)[N-]C2CCCCCC2)c(OC)cc1Br ZINC000019909600 564304305 /nfs/dbraw/zinc/30/43/05/564304305.db2.gz LGJMVZYKUHFPJT-UHFFFAOYSA-N -1 3 392.315 3.467 50 0 GGAAHM CS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2c(Cl)cccc2Cl)n1 ZINC000027666191 564355933 /nfs/dbraw/zinc/35/59/33/564355933.db2.gz YTACREHJKPNCOE-UHFFFAOYSA-N -1 3 380.640 3.093 50 0 GGAAHM COCc1nnc([N-]C(=O)c2sc(-c3cccc(OC)c3)nc2C)s1 ZINC000044892772 564475062 /nfs/dbraw/zinc/47/50/62/564475062.db2.gz XMRBMIHEGZQPLH-UHFFFAOYSA-N -1 3 376.463 3.377 50 0 GGAAHM COc1[n-]c(Br)c(Br)c2c(Br)nnc1-2 ZINC000045067974 564478229 /nfs/dbraw/zinc/47/82/29/564478229.db2.gz ZTHAEZFOVCMSQH-UHFFFAOYSA-N -1 3 385.841 3.254 50 0 GGAAHM COc1nc(Br)c(Br)c2c(Br)n[n-]c21 ZINC000045067974 564478231 /nfs/dbraw/zinc/47/82/31/564478231.db2.gz ZTHAEZFOVCMSQH-UHFFFAOYSA-N -1 3 385.841 3.254 50 0 GGAAHM COc1nc(Br)c(Br)c2c(Br)[n-]nc21 ZINC000045067974 564478233 /nfs/dbraw/zinc/47/82/33/564478233.db2.gz ZTHAEZFOVCMSQH-UHFFFAOYSA-N -1 3 385.841 3.254 50 0 GGAAHM CC[C@@H]1C=CCN1C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O ZINC000091519408 564871808 /nfs/dbraw/zinc/87/18/08/564871808.db2.gz BLUWTFPVKMMVKK-LLVKDONJSA-N -1 3 378.259 3.458 50 0 GGAAHM Cc1ccc(N2C(=O)[C@@H]3C(c4ccc(Br)cc4)=NOC3=C2[O-])c(C)c1 ZINC000101070753 564914753 /nfs/dbraw/zinc/91/47/53/564914753.db2.gz XLPDYEBAKGBEDZ-NVXWUHKLSA-N -1 3 399.244 3.358 50 0 GGAAHM Cc1ccc(N2C(=O)[C@H]3C(c4ccc(Br)cc4)=NOC3=C2[O-])cc1 ZINC000101362030 564915496 /nfs/dbraw/zinc/91/54/96/564915496.db2.gz GOKITFBHMAYETD-HOCLYGCPSA-N -1 3 385.217 3.050 50 0 GGAAHM Cc1ccc(N2C(=O)[C@@H]3C(c4ccc(Br)cc4)=NOC3=C2[O-])cc1 ZINC000101362033 564915628 /nfs/dbraw/zinc/91/56/28/564915628.db2.gz GOKITFBHMAYETD-GDBMZVCRSA-N -1 3 385.217 3.050 50 0 GGAAHM Cc1cccc(C)c1N1C(=O)[C@H]2C(c3ccc(Br)cc3)=NOC2=C1[O-] ZINC000102868900 564938140 /nfs/dbraw/zinc/93/81/40/564938140.db2.gz XQLMKRDOJVEJJK-YOEHRIQHSA-N -1 3 399.244 3.358 50 0 GGAAHM Cc1cccc(C)c1N1C(=O)[C@@H]2C(c3ccc(Br)cc3)=NOC2=C1[O-] ZINC000102868907 564938196 /nfs/dbraw/zinc/93/81/96/564938196.db2.gz XQLMKRDOJVEJJK-RHSMWYFYSA-N -1 3 399.244 3.358 50 0 GGAAHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccc(-c2ccoc2)cc1 ZINC000390830979 565558669 /nfs/dbraw/zinc/55/86/69/565558669.db2.gz OSRQEZRSLDOOHH-UHFFFAOYSA-N -1 3 377.443 3.273 50 0 GGAAHM [O-]C(c1ccccc1)=C1[C@H](c2cccs2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000226356019 565919208 /nfs/dbraw/zinc/91/92/08/565919208.db2.gz YIYLAKHZHJTMLQ-HUBLWGQQSA-N -1 3 386.420 3.017 50 0 GGAAHM COc1ccc(F)cc1S(=O)(=O)[N-]Cc1ccnc(-c2cccs2)c1 ZINC000252549307 566115772 /nfs/dbraw/zinc/11/57/72/566115772.db2.gz RDKNWQTZFYURGD-UHFFFAOYSA-N -1 3 378.450 3.436 50 0 GGAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@@H](CCO)c1cccs1 ZINC000575608366 566275404 /nfs/dbraw/zinc/27/54/04/566275404.db2.gz STVJAFVBODBSDI-LBPRGKRZSA-N -1 3 389.926 3.245 50 0 GGAAHM [O-]c1ccc(CN2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)cc1Cl ZINC000019739827 570212115 /nfs/dbraw/zinc/21/21/15/570212115.db2.gz ZXJOVHHETRZGSD-MRXNPFEDSA-N -1 3 396.865 3.393 50 0 GGAAHM COc1ccccc1OCc1ccc(C(=O)N2NC(C)=C[C@]2([O-])C(F)(F)F)o1 ZINC000000655845 570214699 /nfs/dbraw/zinc/21/46/99/570214699.db2.gz HZBHNZNKEWVHNJ-KRWDZBQOSA-N -1 3 398.337 3.340 50 0 GGAAHM O=c1nc(CN2CCCC2)[n-]c2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000019926516 570229984 /nfs/dbraw/zinc/22/99/84/570229984.db2.gz SPKMKYCHDIPUQF-UHFFFAOYSA-N -1 3 380.517 3.139 50 0 GGAAHM CC(C)CCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1cccs1)C3 ZINC000019962275 570233883 /nfs/dbraw/zinc/23/38/83/570233883.db2.gz RZTFNDVKCACPPZ-LBPRGKRZSA-N -1 3 383.473 3.105 50 0 GGAAHM Cc1cc2nc(CN3CCC[C@@H](CCc4ccc(F)c(F)c4)C3)cc(=O)n2[n-]1 ZINC000102070231 570256573 /nfs/dbraw/zinc/25/65/73/570256573.db2.gz HBKOQPXOORCCJX-INIZCTEOSA-N -1 3 386.446 3.454 50 0 GGAAHM CN1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(OCc4ccccc4)cc32)CC1 ZINC000020676630 570274980 /nfs/dbraw/zinc/27/49/80/570274980.db2.gz HVHPURIEHYCFRJ-OAQYLSRUSA-N -1 3 379.460 3.120 50 0 GGAAHM COc1cccc(N2CCN([C@@H](C(=O)[O-])c3c[nH]c4ccc(C)cc43)CC2)c1 ZINC000020717084 570275904 /nfs/dbraw/zinc/27/59/04/570275904.db2.gz IXROSGNFDQAIJV-OAQYLSRUSA-N -1 3 379.460 3.433 50 0 GGAAHM COc1ccccc1N1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(C)cc32)CC1 ZINC000020727757 570276945 /nfs/dbraw/zinc/27/69/45/570276945.db2.gz MMGXESCARQWSRY-OAQYLSRUSA-N -1 3 379.460 3.433 50 0 GGAAHM COc1cccc(N2CCN([C@@H](C(=O)[O-])c3c[nH]c4cc(F)ccc43)CC2)c1 ZINC000020731758 570277611 /nfs/dbraw/zinc/27/76/11/570277611.db2.gz ZMDWRUGSXDCWCQ-HXUWFJFHSA-N -1 3 383.423 3.264 50 0 GGAAHM COc1cccc2c([C@H](C(=O)[O-])N3CCN(c4ccccc4OC)CC3)c[nH]c21 ZINC000020744627 570278721 /nfs/dbraw/zinc/27/87/21/570278721.db2.gz YKXMXQUKLONXTO-OAQYLSRUSA-N -1 3 395.459 3.133 50 0 GGAAHM CCOC(=O)[C@@]([N-]c1ccc(F)cc1)(NC(=O)c1ccccc1)C(F)(F)F ZINC000002272757 570280894 /nfs/dbraw/zinc/28/08/94/570280894.db2.gz FQIIEAPEABEMPE-QGZVFWFLSA-N -1 3 384.329 3.489 50 0 GGAAHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccco2)cc1 ZINC000101171567 570281488 /nfs/dbraw/zinc/28/14/88/570281488.db2.gz MLMNIIWAGRXMHP-SLFFLAALSA-N -1 3 390.395 3.339 50 0 GGAAHM C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(c3c(cc1O)C(=O)[N-]C3=O)O2 ZINC000103237835 570284175 /nfs/dbraw/zinc/28/41/75/570284175.db2.gz JGLXRTLGZYXTLO-NMBLNHEASA-N -1 3 399.487 3.183 50 0 biogenic GGAAHM C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(c3c(cc1[O-])C(=O)NC3=O)O2 ZINC000103237835 570284177 /nfs/dbraw/zinc/28/41/77/570284177.db2.gz JGLXRTLGZYXTLO-NMBLNHEASA-N -1 3 399.487 3.183 50 0 biogenic GGAAHM O=C(c1ccc(COc2ccc3c(c2)CCC3)o1)N1NC=C[C@@]1([O-])C(F)(F)F ZINC000006829261 570286442 /nfs/dbraw/zinc/28/64/42/570286442.db2.gz FKIDBQIORYJEFN-GOSISDBHSA-N -1 3 394.349 3.430 50 0 GGAAHM Cc1ccc(C([O-])=C2[C@H](c3ccc(F)cc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000004163693 570360569 /nfs/dbraw/zinc/36/05/69/570360569.db2.gz XTEXKLOHKUNMQQ-RLFYNMQTSA-N -1 3 396.340 3.238 50 0 GGAAHM Cc1onc(-c2ccccc2)c1C(=O)N1CCC(c2cc(=O)[n-]c(C)n2)CC1 ZINC000023619067 570366863 /nfs/dbraw/zinc/36/68/63/570366863.db2.gz JSZOKUBALDEJEQ-UHFFFAOYSA-N -1 3 378.432 3.062 50 0 GGAAHM COc1cccc([C@H]2c3c(=O)[n-]c(C)nc3Oc3c4ccccc4oc(=O)c32)c1 ZINC000004334676 570368701 /nfs/dbraw/zinc/36/87/01/570368701.db2.gz UOMAXTNTVPPHFI-MRXNPFEDSA-N -1 3 388.379 3.479 50 0 GGAAHM COC(=O)[C@@]([N-]c1ncc(C)s1)(NC(=O)c1cccc(C)c1)C(F)(F)F ZINC000004602720 570387074 /nfs/dbraw/zinc/38/70/74/570387074.db2.gz KJNNJXYVRVFTET-HNNXBMFYSA-N -1 3 387.383 3.033 50 0 GGAAHM COc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc(Cl)c1[O-] ZINC000004699068 570394711 /nfs/dbraw/zinc/39/47/11/570394711.db2.gz ULUHXSZVAGBEEY-VGOFMYFVSA-N -1 3 376.771 3.286 50 0 GGAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(CCOC)CCC3)cc1 ZINC000035588237 570402504 /nfs/dbraw/zinc/40/25/04/570402504.db2.gz NQQYBZTYIXXCOS-UHFFFAOYSA-N -1 3 390.505 3.285 50 0 GGAAHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2)c1ccccc1 ZINC000004779444 570405358 /nfs/dbraw/zinc/40/53/58/570405358.db2.gz HPUHHZSUOQZCFA-OAQYLSRUSA-N -1 3 393.464 3.450 50 0 GGAAHM O=C(Nc1ccccc1[O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000004838440 570410133 /nfs/dbraw/zinc/41/01/33/570410133.db2.gz BYEHTQBHZQCTEU-UHFFFAOYSA-N -1 3 394.880 3.473 50 0 GGAAHM O=C(CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1)N1CCCC1 ZINC000004842022 570410912 /nfs/dbraw/zinc/41/09/12/570410912.db2.gz KRUCNOZYHARAFD-UHFFFAOYSA-N -1 3 380.473 3.354 50 0 GGAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccco2)cc1 ZINC000238901754 570427857 /nfs/dbraw/zinc/42/78/57/570427857.db2.gz MLMNIIWAGRXMHP-VAMGGRTRSA-N -1 3 390.395 3.339 50 0 GGAAHM O=c1[n-]c(=S)n(-c2ccccc2)c(O)c1[C@H]1NCCc2c3ccccc3[nH]c21 ZINC000100758517 570441788 /nfs/dbraw/zinc/44/17/88/570441788.db2.gz IQXHSMNONIKKQE-GOSISDBHSA-N -1 3 390.468 3.317 50 0 biogenic GGAAHM COc1ccccc1OCc1cccc(C(=O)N2NC=C[C@]2([O-])C(F)(F)F)c1 ZINC000006519517 570464931 /nfs/dbraw/zinc/46/49/31/570464931.db2.gz UZHJVFWDWIKMBL-SFHVURJKSA-N -1 3 394.349 3.357 50 0 GGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCCCC3)c2)cc1 ZINC000004878986 570498511 /nfs/dbraw/zinc/49/85/11/570498511.db2.gz MXPROCZAUOHCBP-UHFFFAOYSA-N -1 3 388.489 3.431 50 0 GGAAHM CC(=O)c1cccc(NC(=O)COc2cc([O-])c3c(c2)OC(C)(C)CC3=O)c1 ZINC000006624166 570508185 /nfs/dbraw/zinc/50/81/85/570508185.db2.gz GDKPNOZWADPKQT-UHFFFAOYSA-N -1 3 383.400 3.356 50 0 biogenic GGAAHM Cc1c(C(N)=O)sc([N-]C(=O)c2c(F)cccc2F)c1C(=O)OC(C)C ZINC000002762998 570512272 /nfs/dbraw/zinc/51/22/72/570512272.db2.gz FXTOPMQSAHQRTG-UHFFFAOYSA-N -1 3 382.388 3.251 50 0 GGAAHM CCCC(=O)C1C(N=c2[nH]c3ccccc3[nH]2)=CC(C)(C)C(C(=O)OC)=C1[O-] ZINC000001234027 570535843 /nfs/dbraw/zinc/53/58/43/570535843.db2.gz ORUYGWMTYAVBAF-KRWDZBQOSA-N -1 3 383.448 3.386 50 0 GGAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(N3CCCC3=O)c2)cc1 ZINC000005329655 570554650 /nfs/dbraw/zinc/55/46/50/570554650.db2.gz QMTIHJUYEOLPOL-UHFFFAOYSA-N -1 3 390.461 3.022 50 0 GGAAHM Cc1cc([O-])c(-c2n[nH]c3c2[C@@H](c2ccccc2)N(CCO)C3=O)cc1Cl ZINC000005342036 570557793 /nfs/dbraw/zinc/55/77/93/570557793.db2.gz SFPKBNLNRJMOFY-LJQANCHMSA-N -1 3 383.835 3.282 50 0 GGAAHM CCc1nc2sc([C@@H](c3ccc(CC)cc3)N3CCC(O)CC3)c([O-])n2n1 ZINC000022855199 570557954 /nfs/dbraw/zinc/55/79/54/570557954.db2.gz STPJJFXEYRFYFY-QGZVFWFLSA-N -1 3 386.521 3.167 50 0 GGAAHM COc1ccc(OC)c(NC(=O)Cc2c(C)c3ccc([O-])c(C)c3oc2=O)c1 ZINC000005350003 570563010 /nfs/dbraw/zinc/56/30/10/570563010.db2.gz NVBVZNUMOKXIEW-UHFFFAOYSA-N -1 3 383.400 3.314 50 0 GGAAHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)(F)F)[nH]c3c2)cc1 ZINC000036354471 570635626 /nfs/dbraw/zinc/63/56/26/570635626.db2.gz QZJDNSZZWBEIQR-UHFFFAOYSA-N -1 3 398.366 3.341 50 0 GGAAHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccncc2)c1 ZINC000229990085 570667856 /nfs/dbraw/zinc/66/78/56/570667856.db2.gz OJHPYDFJLAURAB-PWRODBHTSA-N -1 3 385.423 3.441 50 0 GGAAHM O=c1cc(-c2ccc(Cl)cc2)nc(N2CCN(Cc3ccccc3)CC2)[n-]1 ZINC000054253568 570676668 /nfs/dbraw/zinc/67/66/68/570676668.db2.gz GBSYFOUMRCGGND-UHFFFAOYSA-N -1 3 380.879 3.413 50 0 GGAAHM O=C(c1ccc(COc2ccc(F)cc2F)o1)N1NC=C[C@@]1([O-])C(F)(F)F ZINC000006925768 570707840 /nfs/dbraw/zinc/70/78/40/570707840.db2.gz WPAREYBVALHXRF-OAHLLOKOSA-N -1 3 390.264 3.219 50 0 GGAAHM C[C@H](Oc1ccccc1)c1nnc(SCC(=O)Nc2ccccc2[O-])n1C ZINC000004736185 570729521 /nfs/dbraw/zinc/72/95/21/570729521.db2.gz KBEIOMBJNMVLLF-ZDUSSCGKSA-N -1 3 384.461 3.392 50 0 GGAAHM Cc1ccc2[n-]cc(C(=O)N[C@H](Cc3ccccc3)[C@H]3C[C@H](O)C3)c(=O)c2c1 ZINC000253535027 570733678 /nfs/dbraw/zinc/73/36/78/570733678.db2.gz DVNNMAFIQJBQJX-CBGDNZLLSA-N -1 3 376.456 3.361 50 0 GGAAHM COc1ccccc1NC(=O)CSc1n[n-]c([C@@H]2COc3ccccc3O2)n1 ZINC000524735028 570772486 /nfs/dbraw/zinc/77/24/86/570772486.db2.gz OYOWKXHSAYDCHS-INIZCTEOSA-N -1 3 398.444 3.057 50 0 GGAAHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cccc2CC)ccc1OC ZINC000013678107 570772556 /nfs/dbraw/zinc/77/25/56/570772556.db2.gz YZFWNHCESRMRLP-UHFFFAOYSA-N -1 3 376.478 3.117 50 0 GGAAHM CCOC(=O)c1csc(N2N=C(c3ccccc3)C[C@@]2([O-])C(F)(F)F)n1 ZINC000004478276 570800771 /nfs/dbraw/zinc/80/07/71/570800771.db2.gz ZEQCGDOEODERSV-OAHLLOKOSA-N -1 3 385.367 3.185 50 0 GGAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1)c1ccc(F)cc1 ZINC000007424882 570841300 /nfs/dbraw/zinc/84/13/00/570841300.db2.gz FCQMBRGZCUFCAA-UHFFFAOYSA-N -1 3 380.404 3.223 50 0 GGAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1)c1ccc(F)cc1 ZINC000007424882 570841303 /nfs/dbraw/zinc/84/13/03/570841303.db2.gz FCQMBRGZCUFCAA-UHFFFAOYSA-N -1 3 380.404 3.223 50 0 GGAAHM Cc1ccc(CNC(=O)C(=C([O-])c2ccc(F)cc2)n2ccccc2=O)cc1 ZINC000004698766 570843335 /nfs/dbraw/zinc/84/33/35/570843335.db2.gz YZLAHVDEMJJJSG-FQEVSTJZSA-N -1 3 378.403 3.036 50 0 GGAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccncc1 ZINC000102728917 570859054 /nfs/dbraw/zinc/85/90/54/570859054.db2.gz KCOBPCXTEANSGM-SLFFLAALSA-N -1 3 389.386 3.272 50 0 GGAAHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccncc2)c1 ZINC000102730895 570859534 /nfs/dbraw/zinc/85/95/34/570859534.db2.gz OJHPYDFJLAURAB-QHAWAJNXSA-N -1 3 385.423 3.441 50 0 GGAAHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccncc1 ZINC000102733933 570859851 /nfs/dbraw/zinc/85/98/51/570859851.db2.gz GXCOQECPHALNOB-PCCBWWKXSA-N -1 3 385.423 3.441 50 0 GGAAHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccnc2)c1 ZINC000102736208 570859859 /nfs/dbraw/zinc/85/98/59/570859859.db2.gz MEXIFCKJJODSBW-QHAWAJNXSA-N -1 3 385.423 3.441 50 0 GGAAHM Cc1cc(C)nc(-n2nc3[n-]cc4c(c-3c2=O)C[C@@H](c2ccco2)CC4=O)n1 ZINC000102747065 570860777 /nfs/dbraw/zinc/86/07/77/570860777.db2.gz RCRHUUKXLVWQMM-GFCCVEGCSA-N -1 3 375.388 3.039 50 0 GGAAHM O=C(c1cccc([O-])c1)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072147918 570872867 /nfs/dbraw/zinc/87/28/67/570872867.db2.gz IFGWZHKZKYADIT-NJDAHSKKSA-N -1 3 384.426 3.373 50 0 GGAAHM Cc1ccccc1-c1noc([C@@H](C)NC(=O)c2cc(C(C)(C)C)nc(=O)[n-]2)n1 ZINC000299762180 570892835 /nfs/dbraw/zinc/89/28/35/570892835.db2.gz LRWSCGKLDASBNY-GFCCVEGCSA-N -1 3 381.436 3.329 50 0 GGAAHM COCCCCN1CCN(C(=O)c2cccc(-c3cccc(F)c3[O-])c2)CC1 ZINC000299777659 570894698 /nfs/dbraw/zinc/89/46/98/570894698.db2.gz OLFCDRDZWXGHCE-UHFFFAOYSA-N -1 3 386.467 3.383 50 0 GGAAHM Cc1nc(C2CCN(C(=O)Nc3cccc(-n4cccn4)c3)CC2)cc(=O)[n-]1 ZINC000299779281 570894993 /nfs/dbraw/zinc/89/49/93/570894993.db2.gz UWXSPQDDSHPMRO-UHFFFAOYSA-N -1 3 378.436 3.088 50 0 GGAAHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1cccc(-c3ccc(C(C)C)nn3)c1)C2 ZINC000299787836 570896014 /nfs/dbraw/zinc/89/60/14/570896014.db2.gz RNJWSERHWQHCGT-UHFFFAOYSA-N -1 3 375.432 3.227 50 0 GGAAHM Cc1nc([C@@H]2CCCN(C(=O)Nc3ccnn3-c3ccccc3)C2)cc(=O)[n-]1 ZINC000299791576 570896376 /nfs/dbraw/zinc/89/63/76/570896376.db2.gz DJBFJRAYHBIBTJ-OAHLLOKOSA-N -1 3 378.436 3.088 50 0 GGAAHM Cc1nc([C@H]2CCCN(C(=O)Nc3cccc(-n4cccn4)c3)C2)cc(=O)[n-]1 ZINC000299796083 570897018 /nfs/dbraw/zinc/89/70/18/570897018.db2.gz NFKYFVWNXOANPN-HNNXBMFYSA-N -1 3 378.436 3.088 50 0 GGAAHM CC(C)NC(=O)N([O-])[C@H]1N(C(C)C)C(=O)N(Cc2ccc(F)cc2)C1(C)C ZINC000001279109 570952737 /nfs/dbraw/zinc/95/27/37/570952737.db2.gz GKLXRIKSVYZZIJ-MRXNPFEDSA-N -1 3 380.464 3.386 50 0 GGAAHM COc1cccc(CNC(=O)CCc2c(C)c3ccc([O-])c(C)c3oc2=O)c1 ZINC000004743386 570957313 /nfs/dbraw/zinc/95/73/13/570957313.db2.gz KBFHANQVNVZLEB-UHFFFAOYSA-N -1 3 381.428 3.373 50 0 biogenic GGAAHM COc1ccccc1CNC(=O)CCc1c(C)c2ccc([O-])c(C)c2oc1=O ZINC000004743382 570957367 /nfs/dbraw/zinc/95/73/67/570957367.db2.gz LCNXSDNEIBVSFJ-UHFFFAOYSA-N -1 3 381.428 3.373 50 0 GGAAHM COC(=O)c1sccc1S(=O)(=O)[N-]C[C@H](c1ccco1)c1cccs1 ZINC000585146680 570975829 /nfs/dbraw/zinc/97/58/29/570975829.db2.gz BNMMCCKIUMDRJF-LLVKDONJSA-N -1 3 397.499 3.300 50 0 GGAAHM O=S(=O)([N-]Cc1cn(-c2ccsc2)nn1)c1c(Cl)cccc1Cl ZINC000585150267 570983196 /nfs/dbraw/zinc/98/31/96/570983196.db2.gz IQXVZSUMDPDWEL-UHFFFAOYSA-N -1 3 389.289 3.114 50 0 GGAAHM Cc1cccc2nc([C@H]3CCCN3C(=O)c3cnc(C(C)(C)C)[n-]c3=O)[nH]c21 ZINC000091426793 571007754 /nfs/dbraw/zinc/00/77/54/571007754.db2.gz UIZRXVGYBVFJEO-OAHLLOKOSA-N -1 3 379.464 3.229 50 0 GGAAHM O=C(NCC1(c2ccc(F)cc2)CCCC1)c1ccc(N2CC(=O)[N-]C2=O)cc1 ZINC000091460244 571009194 /nfs/dbraw/zinc/00/91/94/571009194.db2.gz HJPSCIDVJWUDBI-UHFFFAOYSA-N -1 3 395.434 3.124 50 0 GGAAHM COc1ccccc1[C@@H]1CN(Cc2cnc(-c3ccco3)nc2)C[C@H]1C(=O)[O-] ZINC000091585714 571015485 /nfs/dbraw/zinc/01/54/85/571015485.db2.gz FGIHZINDMCZSII-DLBZAZTESA-N -1 3 379.416 3.045 50 0 GGAAHM Cc1nc(-c2ccncc2)ncc1[C@@H](C)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000091662986 571024244 /nfs/dbraw/zinc/02/42/44/571024244.db2.gz MYTOEDGXTTXFAE-CQSZACIVSA-N -1 3 385.427 3.180 50 0 GGAAHM Cc1nc(CCN2CC(c3ccccc3)(c3ccccc3)CCC2=O)cc(=O)[n-]1 ZINC000091691058 571026068 /nfs/dbraw/zinc/02/60/68/571026068.db2.gz TUWRGCZQKOTQTB-UHFFFAOYSA-N -1 3 387.483 3.230 50 0 GGAAHM CCCCN1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(C)cc1[O-])CC2 ZINC000091818285 571031830 /nfs/dbraw/zinc/03/18/30/571031830.db2.gz XINHAUGMCJSXRW-UHFFFAOYSA-N -1 3 382.508 3.213 50 0 GGAAHM COc1ccc(F)c([C@H](C(=O)[O-])N2CCCN(c3ccc(F)cc3)CC2)c1 ZINC000095361644 571055636 /nfs/dbraw/zinc/05/56/36/571055636.db2.gz MMFQZQBXXVDQFK-LJQANCHMSA-N -1 3 376.403 3.311 50 0 GGAAHM Cc1ccc(-c2cccc(CN3CCC4(CC3)[C@H](C(=O)[O-])CC(=O)N4C)c2)o1 ZINC000095361386 571055709 /nfs/dbraw/zinc/05/57/09/571055709.db2.gz IRLZPQPCRUWIBH-SFHVURJKSA-N -1 3 382.460 3.153 50 0 GGAAHM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(Cc1ccc(C3CCCC3)s1)CC2 ZINC000095378335 571065736 /nfs/dbraw/zinc/06/57/36/571065736.db2.gz IJZMEJDANJTSHF-MRXNPFEDSA-N -1 3 376.522 3.303 50 0 GGAAHM O=C([O-])c1cccc([C@H]2CCCN(Cc3cnc(N4CCOCC4)s3)C2)c1 ZINC000095382364 571068265 /nfs/dbraw/zinc/06/82/65/571068265.db2.gz GWLGTOFYANJWCZ-KRWDZBQOSA-N -1 3 387.505 3.058 50 0 GGAAHM Cc1ccc(C(=O)[O-])c(N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)n1 ZINC000095382512 571068669 /nfs/dbraw/zinc/06/86/69/571068669.db2.gz GFITUEZMRHKVDC-XUVXKRRUSA-N -1 3 381.451 3.294 50 0 GGAAHM CC(C)Oc1ccccc1[C@@H](C(=O)[O-])N1CCCN(Cc2ccccn2)CC1 ZINC000095384749 571069499 /nfs/dbraw/zinc/06/94/99/571069499.db2.gz DOKLOBWQCFUGFB-NRFANRHFSA-N -1 3 383.492 3.202 50 0 GGAAHM Cc1ccc(-c2ccc(CN3CCC4(CC3)[C@@H](C(=O)[O-])CC(=O)N4C)cc2)o1 ZINC000095390913 571072576 /nfs/dbraw/zinc/07/25/76/571072576.db2.gz OTIGXQIHHSRLGZ-GOSISDBHSA-N -1 3 382.460 3.153 50 0 GGAAHM O=C([O-])[C@@H]1CC(=O)NC12CCN(Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000095392330 571073496 /nfs/dbraw/zinc/07/34/96/571073496.db2.gz BMZAATVBMQMWRU-IBGZPJMESA-N -1 3 380.444 3.034 50 0 GGAAHM O=C([O-])[C@H]1CC(=O)NC12CCN(Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000095392331 571073547 /nfs/dbraw/zinc/07/35/47/571073547.db2.gz BMZAATVBMQMWRU-LJQANCHMSA-N -1 3 380.444 3.034 50 0 GGAAHM Cc1ccc(C(=O)N2CCC[C@H](c3nccn3Cc3ccccn3)C2)c([O-])c1 ZINC000095503233 571077155 /nfs/dbraw/zinc/07/71/55/571077155.db2.gz AVWNNILKFYXUMZ-KRWDZBQOSA-N -1 3 376.460 3.360 50 0 GGAAHM Cc1nc([C@H]2CCCN(C(=O)c3ccc4oc(C(C)C)nc4c3)C2)cc(=O)[n-]1 ZINC000095517878 571084597 /nfs/dbraw/zinc/08/45/97/571084597.db2.gz XMLICDPVPYMNFY-HNNXBMFYSA-N -1 3 380.448 3.363 50 0 GGAAHM COc1ccc(-c2nnc3c4cnn(-c5cccc(Cl)c5)c4ncn32)c([O-])c1 ZINC000002225486 1398304731 /nfs/dbraw/zinc/30/47/31/1398304731.db2.gz VNBONFDIGHDOMZ-UHFFFAOYSA-N -1 3 392.806 3.498 50 0 GGAAHM Cc1ccc(C([O-])=C2[C@H](c3ccccc3F)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000004279739 1398388679 /nfs/dbraw/zinc/38/86/79/1398388679.db2.gz FNUFUXVFAHXWNU-RLFYNMQTSA-N -1 3 396.340 3.238 50 0 GGAAHM CC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@@H]1c1ccccc1Cl ZINC000009378584 1398857891 /nfs/dbraw/zinc/85/78/91/1398857891.db2.gz OBSHQLCHAYQOTF-GOSISDBHSA-N -1 3 391.880 3.409 50 0 GGAAHM [O-]c1ccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)cc1Cl ZINC000023145541 1399535537 /nfs/dbraw/zinc/53/55/37/1399535537.db2.gz HUTWKPFSSHLAFG-UHFFFAOYSA-N -1 3 382.895 3.481 50 0 GGAAHM COc1ccccc1OC1CN(Cc2cccc(-c3nc(C)cc(=O)[n-]3)c2)C1 ZINC000023338335 1399550285 /nfs/dbraw/zinc/55/02/85/1399550285.db2.gz OGWIGSTXKXPTTH-UHFFFAOYSA-N -1 3 377.444 3.017 50 0 GGAAHM O=C1c2ccccc2C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000147805232 1417754218 /nfs/dbraw/zinc/75/42/18/1417754218.db2.gz VYAVABWLUYIZAK-UHFFFAOYSA-N -1 3 381.395 3.330 50 0 GGAAHM O=C1c2ccccc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000147805232 1417754225 /nfs/dbraw/zinc/75/42/25/1417754225.db2.gz VYAVABWLUYIZAK-UHFFFAOYSA-N -1 3 381.395 3.330 50 0 GGAAHM COC(=O)C[C@H](c1ccc(OC)cc1OC)c1oc2ccccc2c(=O)c1[O-] ZINC000253397685 203813610 /nfs/dbraw/zinc/81/36/10/203813610.db2.gz BOSWRTJVWIKROK-OAHLLOKOSA-N -1 3 384.384 3.211 50 0 biogenic GGAAHM COc1cccc([C@@H]2c3c(=O)[n-]c(C)nc3Oc3c4ccccc4oc(=O)c32)c1 ZINC000004334675 204039338 /nfs/dbraw/zinc/03/93/38/204039338.db2.gz UOMAXTNTVPPHFI-INIZCTEOSA-N -1 3 388.379 3.479 50 0 GGAAHM CCOCCCNC(=O)[C@@H](NC(=O)c1ccccc1[O-])c1ccc(Cl)cc1 ZINC000003626111 204015850 /nfs/dbraw/zinc/01/58/50/204015850.db2.gz SQJXUSXKAHLLGN-SFHVURJKSA-N -1 3 390.867 3.060 50 0 GGAAHM COc1cc2c(cc1OC)C(N[C@H](Cc1ccccc1)C(=O)[O-])=NC(C)(C)C2 ZINC000003616577 204016054 /nfs/dbraw/zinc/01/60/54/204016054.db2.gz QPLMGAOVCHWXIC-QGZVFWFLSA-N -1 3 382.460 3.071 50 0 GGAAHM O=C(C[C@@H](c1ccccc1)c1cc(Br)ccc1[O-])N1CCNCC1 ZINC000004178471 204031444 /nfs/dbraw/zinc/03/14/44/204031444.db2.gz WRUQAGHWILNPLR-INIZCTEOSA-N -1 3 389.293 3.109 50 0 GGAAHM Cc1ccc(CNC(=O)C(=C([O-])c2ccc(F)cc2)n2cc(C)ccc2=O)cc1 ZINC000004698777 204065122 /nfs/dbraw/zinc/06/51/22/204065122.db2.gz OVMHBDSXYRXBHT-OAQYLSRUSA-N -1 3 392.430 3.345 50 0 GGAAHM Cc1ccc(=O)n(C(C(=O)NCCc2ccccc2)=C([O-])c2ccc(F)cc2)c1 ZINC000004700455 204065509 /nfs/dbraw/zinc/06/55/09/204065509.db2.gz ZLYSUNCFDBNFIP-OAQYLSRUSA-N -1 3 392.430 3.079 50 0 GGAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccco1 ZINC000004721482 204068543 /nfs/dbraw/zinc/06/85/43/204068543.db2.gz CXIOBYOTIYUKFC-GUDVDZBRSA-N -1 3 378.359 3.470 50 0 GGAAHM O=C(Nc1nccs1)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000004751289 204073219 /nfs/dbraw/zinc/07/32/19/204073219.db2.gz ZOMQOICETVCWTK-UHFFFAOYSA-N -1 3 392.289 3.143 50 0 GGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)C2CC2)cc1 ZINC000005099550 204111556 /nfs/dbraw/zinc/11/15/56/204111556.db2.gz BKFWESMOBMBRRR-UHFFFAOYSA-N -1 3 386.473 3.185 50 0 GGAAHM Cc1c([O-])ccc2c(C)c(CCC(=O)Nc3ccc(CCO)cc3)c(=O)oc12 ZINC000005345626 204126536 /nfs/dbraw/zinc/12/65/36/204126536.db2.gz XWIFZQYEOMOTMT-UHFFFAOYSA-N -1 3 381.428 3.222 50 0 GGAAHM CCCSc1nnc([N-]C(=O)c2nnn(-c3ccc(OC)cc3)c2C)s1 ZINC000004938657 204094735 /nfs/dbraw/zinc/09/47/35/204094735.db2.gz ZGOUUVACQWGUNA-UHFFFAOYSA-N -1 3 390.494 3.190 50 0 GGAAHM Cc1cc(N2N=C(c3cccc4ccccc43)C[C@]2([O-])C(F)(F)F)nc(N)n1 ZINC000004942632 204095215 /nfs/dbraw/zinc/09/52/15/204095215.db2.gz BCBWBFKKFQQIQV-SFHVURJKSA-N -1 3 387.365 3.386 50 0 GGAAHM Cc1c([O-])ccc2c(C)c(CCC(=O)N(C(=O)NC(C)C)C(C)C)c(=O)oc12 ZINC000005354854 204128480 /nfs/dbraw/zinc/12/84/80/204128480.db2.gz AILHPXYGMVSMHD-UHFFFAOYSA-N -1 3 388.464 3.403 50 0 GGAAHM COc1cc(CN2C[C@@H](C)C[C@H](C)C2)cc(I)c1[O-] ZINC000004988610 204100203 /nfs/dbraw/zinc/10/02/03/204100203.db2.gz URBSGCAVGSCUOX-QWRGUYRKSA-N -1 3 375.250 3.483 50 0 GGAAHM O=c1nnc(SCc2ccc(Cl)cc2Cl)c(NC[C@@H]2CCCO2)[n-]1 ZINC000005009569 204102440 /nfs/dbraw/zinc/10/24/40/204102440.db2.gz LVERYZSLNHVQOO-NSHDSACASA-N -1 3 387.292 3.355 50 0 GGAAHM Cn1nnnc1S[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000005748934 204150330 /nfs/dbraw/zinc/15/03/30/204150330.db2.gz RBPKNJVQHQGQEL-CQSZACIVSA-N -1 3 375.841 3.041 50 0 GGAAHM Cc1ccc(CSCCNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000006146714 204168502 /nfs/dbraw/zinc/16/85/02/204168502.db2.gz UVXBOPQRJZJVIT-UHFFFAOYSA-N -1 3 378.519 3.030 50 0 GGAAHM O=C(Nc1cccc(F)c1)c1c([O-])c2c(n(Cc3ccco3)c1=O)CCCC2 ZINC000005521893 204137139 /nfs/dbraw/zinc/13/71/39/204137139.db2.gz PEKCRHXUGZXKBL-UHFFFAOYSA-N -1 3 382.391 3.465 50 0 GGAAHM COC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1nc(SC)ncc1Cl ZINC000006810467 204210586 /nfs/dbraw/zinc/21/05/86/204210586.db2.gz SHEZHVZTHREXHH-UHFFFAOYSA-N -1 3 399.881 3.463 50 0 GGAAHM COc1ccc(OCc2ccc(C(=O)N3NC=C[C@]3([O-])C(F)(F)F)cc2)cc1 ZINC000006412919 204177739 /nfs/dbraw/zinc/17/77/39/204177739.db2.gz CLUVIHMUAKBJRA-SFHVURJKSA-N -1 3 394.349 3.357 50 0 GGAAHM O=C([O-])[C@@H](CC(=O)Nc1ccc(Oc2ccccc2)cc1)NCc1cccnc1 ZINC000006423198 204178797 /nfs/dbraw/zinc/17/87/97/204178797.db2.gz CULXRZFEVYLTAH-HXUWFJFHSA-N -1 3 391.427 3.446 50 0 GGAAHM CCOc1cc(C(=O)N2NC(C)=C[C@@]2([O-])C(F)(F)F)ccc1OC(F)F ZINC000006487609 204179668 /nfs/dbraw/zinc/17/96/68/204179668.db2.gz BWJZYBPWUYSLPH-CQSZACIVSA-N -1 3 382.285 3.159 50 0 GGAAHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NC1CCCCC1 ZINC000006700676 204192658 /nfs/dbraw/zinc/19/26/58/204192658.db2.gz IGEQOVNVMWCBRU-JTQLQIEISA-N -1 3 379.309 3.109 50 0 GGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1Cl ZINC000007708613 204247301 /nfs/dbraw/zinc/24/73/01/204247301.db2.gz GCVGGZYQXJHRGQ-UHFFFAOYSA-N -1 3 380.853 3.276 50 0 GGAAHM COc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1C(=O)N1CCCC1 ZINC000008560303 204279932 /nfs/dbraw/zinc/27/99/32/204279932.db2.gz HZSGMFUMFYXRTQ-UHFFFAOYSA-N -1 3 394.880 3.385 50 0 GGAAHM Cc1nc2c(c(=O)[n-]1)[C@H](c1ccc(OCc3ccc(F)cc3)cc1)CC(=O)N2 ZINC000008770783 204290012 /nfs/dbraw/zinc/29/00/12/204290012.db2.gz JPSRCNKZXCBGHO-KRWDZBQOSA-N -1 3 379.391 3.271 50 0 GGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC(C)C)cc1 ZINC000008840836 204290823 /nfs/dbraw/zinc/29/08/23/204290823.db2.gz RZUYYLCHEJUQQU-UHFFFAOYSA-N -1 3 388.489 3.431 50 0 GGAAHM Cc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OCc3ccc(F)cc3)cc1)CC(=O)N2 ZINC000008856685 204291656 /nfs/dbraw/zinc/29/16/56/204291656.db2.gz JPSRCNKZXCBGHO-QGZVFWFLSA-N -1 3 379.391 3.271 50 0 GGAAHM Cc1ccc(COc2ccc([C@H]3CC(=O)Nc4nc(C)[n-]c(=O)c43)cc2)cc1 ZINC000008995609 204296581 /nfs/dbraw/zinc/29/65/81/204296581.db2.gz BEUMISMMWVWLPB-GOSISDBHSA-N -1 3 375.428 3.440 50 0 GGAAHM COCCN1CCCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc21 ZINC000035588251 204262671 /nfs/dbraw/zinc/26/26/71/204262671.db2.gz YOKKKLZCQVICTM-UHFFFAOYSA-N -1 3 378.469 3.334 50 0 GGAAHM CCC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@@H]1c1ccc(C)cc1 ZINC000009260439 204304111 /nfs/dbraw/zinc/30/41/11/204304111.db2.gz WDKXCIFRECCXDB-LJQANCHMSA-N -1 3 385.489 3.454 50 0 GGAAHM CCCCOC(=O)c1ccc(NC(=O)c2c([O-])c3c([nH]c2=O)CCCC3)cc1 ZINC000009302140 204306171 /nfs/dbraw/zinc/30/61/71/204306171.db2.gz SMXPCDUHZIGMIS-UHFFFAOYSA-N -1 3 384.432 3.169 50 0 GGAAHM COc1ccccc1N1CCN(c2nc(-c3ccc(C)cc3)cc(=O)[n-]2)CC1 ZINC000009668951 204319498 /nfs/dbraw/zinc/31/94/98/204319498.db2.gz NPALXYBTFZPTSG-UHFFFAOYSA-N -1 3 376.460 3.081 50 0 GGAAHM CCC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@@H]1c1ccccc1F ZINC000010233921 204332406 /nfs/dbraw/zinc/33/24/06/204332406.db2.gz TULUYGQJJPAJNJ-GOSISDBHSA-N -1 3 389.452 3.285 50 0 GGAAHM O=C(CC1=CCCCC1)N1CCC[C@H](C[N-]S(=O)(=O)c2cccs2)C1 ZINC000012201556 204382119 /nfs/dbraw/zinc/38/21/19/204382119.db2.gz KSQBOXFVXUVMSJ-MRXNPFEDSA-N -1 3 382.551 3.156 50 0 GGAAHM COc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(c4ccc(F)cc4)CC3)c2c1 ZINC000012325084 204396724 /nfs/dbraw/zinc/39/67/24/204396724.db2.gz JLVANJIDVYADAF-FQEVSTJZSA-N -1 3 383.423 3.264 50 0 GGAAHM O=S(=O)([N-]CC1CCN(c2nc3ccccc3o2)CC1)c1cccs1 ZINC000070923810 205023994 /nfs/dbraw/zinc/02/39/94/205023994.db2.gz BGYRJOKTLVEPIB-UHFFFAOYSA-N -1 3 377.491 3.084 50 0 GGAAHM CC(C)(C)c1cc([N-]C(=O)c2nnn(-c3ccc(C(F)(F)F)cc3)n2)on1 ZINC000077100358 205032425 /nfs/dbraw/zinc/03/24/25/205032425.db2.gz FOGSMLVQAWKXLV-UHFFFAOYSA-N -1 3 380.330 3.219 50 0 GGAAHM CC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)[N-]c2nnc(C)s2)s1 ZINC000044903042 205089581 /nfs/dbraw/zinc/08/95/81/205089581.db2.gz UEGACEPZYXXHTB-UHFFFAOYSA-N -1 3 387.490 3.417 50 0 GGAAHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]CCc1c[nH]c2ccccc12 ZINC000044900629 205089894 /nfs/dbraw/zinc/08/98/94/205089894.db2.gz JJKVWFKQXPDALT-UHFFFAOYSA-N -1 3 398.893 3.190 50 0 GGAAHM COCc1nc2ccc([N-]S(=O)(=O)c3ccc(Br)cc3)cc2[nH]1 ZINC000044921522 205090877 /nfs/dbraw/zinc/09/08/77/205090877.db2.gz ZYFCQCZKBGISED-UHFFFAOYSA-N -1 3 396.266 3.273 50 0 GGAAHM Cc1cc(F)ccc1[N-]C(=O)c1nc(-c2cn(-c3ccc(F)cc3)nn2)no1 ZINC000049410297 205126515 /nfs/dbraw/zinc/12/65/15/205126515.db2.gz QRJUNVZODZGCJR-UHFFFAOYSA-N -1 3 382.330 3.156 50 0 GGAAHM O=C([N-]c1cccc(Cl)c1)c1nc(-c2cn(-c3ccc(F)cc3)nn2)no1 ZINC000049410293 205127178 /nfs/dbraw/zinc/12/71/78/205127178.db2.gz GVIFCDMJIRVGKY-UHFFFAOYSA-N -1 3 384.758 3.362 50 0 GGAAHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccccn2)cc1Cl ZINC000054363183 205139166 /nfs/dbraw/zinc/13/91/66/205139166.db2.gz AEEMLCIFNUFQKI-UHFFFAOYSA-N -1 3 375.675 3.284 50 0 GGAAHM Cc1cc(S(=O)(=O)[N-]CC(C)C)c(Br)cc1Br ZINC000054362956 205139960 /nfs/dbraw/zinc/13/99/60/205139960.db2.gz HDDXQKFNBXRFFE-UHFFFAOYSA-N -1 3 385.121 3.454 50 0 GGAAHM Cc1cc2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c2[nH]1 ZINC000057520764 205159254 /nfs/dbraw/zinc/15/92/54/205159254.db2.gz NGOFIXQJROHCTB-UHFFFAOYSA-N -1 3 382.367 3.309 50 0 GGAAHM Cc1ccc(NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccccc2)cc1 ZINC000051316651 205131918 /nfs/dbraw/zinc/13/19/18/205131918.db2.gz XMAGVTRMDKVMOV-UHFFFAOYSA-N -1 3 391.456 3.148 50 0 GGAAHM Cc1ccc(NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccccc2)cc1 ZINC000051316651 205131922 /nfs/dbraw/zinc/13/19/22/205131922.db2.gz XMAGVTRMDKVMOV-UHFFFAOYSA-N -1 3 391.456 3.148 50 0 GGAAHM O=C(Nc1nnc([C@H]2CCCO2)s1)c1cc(=O)c(OCc2ccccc2)c[n-]1 ZINC000061721459 205183016 /nfs/dbraw/zinc/18/30/16/205183016.db2.gz UDZKUSXJPPLLOI-OAHLLOKOSA-N -1 3 398.444 3.322 50 0 GGAAHM CCCN1CCc2nc(SCC(=O)Nc3ccccc3Cl)[n-]c(=O)c2C1 ZINC000067291701 205243569 /nfs/dbraw/zinc/24/35/69/205243569.db2.gz VJYHYFTWVMEOEB-UHFFFAOYSA-N -1 3 392.912 3.335 50 0 GGAAHM CCCN1CCc2nc(SCC(=O)Nc3ccc(Cl)cc3)[n-]c(=O)c2C1 ZINC000067291801 205243625 /nfs/dbraw/zinc/24/36/25/205243625.db2.gz UZUHIQGMAZWAEO-UHFFFAOYSA-N -1 3 392.912 3.335 50 0 GGAAHM Cc1cc(=O)[n-]c(Cn2cnc(-c3ccccc3)c2-c2ccc(N(C)C)nc2)n1 ZINC000067804666 205260935 /nfs/dbraw/zinc/26/09/35/205260935.db2.gz OCEZXUATEJYDBS-UHFFFAOYSA-N -1 3 386.459 3.118 50 0 GGAAHM CCn1nc(C(=O)[O-])c2c1CC[C@@H](NCc1cc(-c3ccc(F)cc3)no1)C2 ZINC000067878453 205266619 /nfs/dbraw/zinc/26/66/19/205266619.db2.gz ZMNMYVKTINEXDH-CQSZACIVSA-N -1 3 384.411 3.042 50 0 GGAAHM COc1cccc(C(=O)N2CCc3[nH]nc(-c4ccc(F)c(F)c4)c3C2)c1[O-] ZINC000067872624 205266713 /nfs/dbraw/zinc/26/67/13/205266713.db2.gz FLGKJTKDETWSDS-UHFFFAOYSA-N -1 3 385.370 3.268 50 0 GGAAHM COc1ccc(NC(=O)c2coc([N-]C(=O)c3cc(C)on3)n2)cc1Cl ZINC000090583059 205273668 /nfs/dbraw/zinc/27/36/68/205273668.db2.gz SVLCFRKTIYORTB-UHFFFAOYSA-N -1 3 376.756 3.138 50 0 GGAAHM Cn1cc(-c2cccs2)nc1CC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000090606975 205273882 /nfs/dbraw/zinc/27/38/82/205273882.db2.gz ZPHSOYGLPGGWKE-UHFFFAOYSA-N -1 3 387.939 3.385 50 0 GGAAHM Cc1ccc([O-])c(C(=O)NCc2cccnc2N(C)CCc2ccccn2)c1 ZINC000067457907 205248352 /nfs/dbraw/zinc/24/83/52/205248352.db2.gz UZUFLTKCYBQNNE-UHFFFAOYSA-N -1 3 376.460 3.100 50 0 GGAAHM COc1ccc([C@@H]2CN(C(=O)c3ccccc3[O-])[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000071422149 205283360 /nfs/dbraw/zinc/28/33/60/205283360.db2.gz WCBXLEYLBJSXTO-KSEOMHKRSA-N -1 3 378.472 3.103 50 0 GGAAHM CC[C@@H]1CN(C(=O)c2ccc(OC)cc2[O-])CCC(=O)N1Cc1ccccc1 ZINC000071639496 205284745 /nfs/dbraw/zinc/28/47/45/205284745.db2.gz QCKYLFCJPOAIBX-QGZVFWFLSA-N -1 3 382.460 3.054 50 0 GGAAHM CC[C@@H]1CN(C(=O)c2ccc([O-])c(OC)c2)CCC(=O)N1Cc1ccccc1 ZINC000071750283 205289206 /nfs/dbraw/zinc/28/92/06/205289206.db2.gz FBCZVPCPVGMIDZ-GOSISDBHSA-N -1 3 382.460 3.054 50 0 GGAAHM O=C(c1ccc(N2CC(=O)[N-]C2=O)cc1)N1CCC[C@@H](CCc2ccccc2)C1 ZINC000071760165 205294172 /nfs/dbraw/zinc/29/41/72/205294172.db2.gz BNLWNLARTKMZGL-SFHVURJKSA-N -1 3 391.471 3.228 50 0 GGAAHM CCOC(=O)C[C@@H](c1oc(CO)cc(=O)c1[O-])c1c(Cl)cccc1Cl ZINC000071281312 205279178 /nfs/dbraw/zinc/27/91/78/205279178.db2.gz VUGGUTVLDPCRAS-SNVBAGLBSA-N -1 3 387.215 3.230 50 0 GGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccncc4)[nH]c3c2)cc1 ZINC000071284034 205279399 /nfs/dbraw/zinc/27/93/99/205279399.db2.gz YNIFDPYYYIOCAB-UHFFFAOYSA-N -1 3 380.429 3.434 50 0 GGAAHM CC(C)CCN1c2ccccc2[C@@]2(CC(=O)Nc3c2c(=O)[n-]n3C(C)C)C1=O ZINC000071280264 205280129 /nfs/dbraw/zinc/28/01/29/205280129.db2.gz PNTKHJGXITXOAV-OAQYLSRUSA-N -1 3 382.464 3.428 50 0 GGAAHM COc1ccc(-c2nn3c(nnc3-c3cc(CC(C)C)n[n-]3)s2)cc1OC ZINC000072333585 205325900 /nfs/dbraw/zinc/32/59/00/205325900.db2.gz QGKOYQGILURMAY-UHFFFAOYSA-N -1 3 384.465 3.459 50 0 GGAAHM COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3cccc(C)c3[O-])C2)cc1OC ZINC000072146317 205310401 /nfs/dbraw/zinc/31/04/01/205310401.db2.gz QHBAFGOETOHYGF-INIZCTEOSA-N -1 3 383.444 3.453 50 0 GGAAHM O=C(c1cccc2cnccc21)N1CCc2c(nc(-c3ccccc3)[n-]c2=O)C1 ZINC000072150147 205310726 /nfs/dbraw/zinc/31/07/26/205310726.db2.gz DVZLPSOEXNXTGT-UHFFFAOYSA-N -1 3 382.423 3.184 50 0 GGAAHM Cc1ccc([O-])c(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c1 ZINC000072154043 205312583 /nfs/dbraw/zinc/31/25/83/205312583.db2.gz ACGLRHRNOLCYOQ-CQSZACIVSA-N -1 3 392.377 3.250 50 0 GGAAHM O=C(Cc1ccc([O-])c(F)c1)N[C@@H]1CC(=O)N(Cc2cccc3ccccc32)C1 ZINC000072156131 205313572 /nfs/dbraw/zinc/31/35/72/205313572.db2.gz MVBWLDCATQLBAV-GOSISDBHSA-N -1 3 392.430 3.144 50 0 GGAAHM O=S(=O)([N-]c1cc(-n2cnnn2)ccc1Cl)c1ccc2ccccc2c1 ZINC000072405373 205346144 /nfs/dbraw/zinc/34/61/44/205346144.db2.gz RTOHHTJEVSKPPX-UHFFFAOYSA-N -1 3 385.836 3.270 50 0 GGAAHM O=c1cc(CNc2ccc(-c3nc(CCCc4ccccc4)no3)cn2)nc[n-]1 ZINC000072423816 205348757 /nfs/dbraw/zinc/34/87/57/205348757.db2.gz NDXDKHQTEJQJLF-UHFFFAOYSA-N -1 3 388.431 3.002 50 0 GGAAHM COc1ccccc1OC1(C(=O)[O-])CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000082138355 205387489 /nfs/dbraw/zinc/38/74/89/205387489.db2.gz PTIPMKFOHJPZTF-UHFFFAOYSA-N -1 3 397.431 3.177 50 0 GGAAHM O=C1[C@@H]2C(c3ccc(Cl)cc3Cl)=NOC2=C([O-])N1c1ccc(F)cc1 ZINC000103514835 205817005 /nfs/dbraw/zinc/81/70/05/205817005.db2.gz ZLIUAVBWRKFOJP-UKRRQHHQSA-N -1 3 379.174 3.425 50 0 GGAAHM Cc1nn(-c2ccccn2)c(C)c1CC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000225583487 206058345 /nfs/dbraw/zinc/05/83/45/206058345.db2.gz HBOAQCPMYHOJCC-UHFFFAOYSA-N -1 3 396.925 3.120 50 0 GGAAHM O=C(C=Cc1ccccc1Cl)N[C@@H](Cn1c([O-])coc1=O)c1ccccc1 ZINC000225636549 206063020 /nfs/dbraw/zinc/06/30/20/206063020.db2.gz DVVROUSIWHJINR-DVQDXYAYSA-N -1 3 384.819 3.190 50 0 GGAAHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccnc1 ZINC000229971413 206109778 /nfs/dbraw/zinc/10/97/78/206109778.db2.gz OKIOGBUHXQLPFA-PWRODBHTSA-N -1 3 385.423 3.441 50 0 GGAAHM O=C(N[C@H]1C[C@H](c2cc(=O)[n-]c(C3CC3)n2)C1)c1cnoc1-c1ccccc1 ZINC000253535387 206148867 /nfs/dbraw/zinc/14/88/67/206148867.db2.gz OAHXFECGKCGGAM-SHTZXODSSA-N -1 3 376.416 3.391 50 0 GGAAHM Nc1nc([C@H]2C[C@@H](NC(=O)CCc3ccc(-c4cccs4)o3)C2)cc(=O)[n-]1 ZINC000253534807 206149656 /nfs/dbraw/zinc/14/96/56/206149656.db2.gz GFQHJNFCTCGUEL-TXEJJXNPSA-N -1 3 384.461 3.081 50 0 GGAAHM Cc1ccccc1-c1noc([C@H](C)NC(=O)c2cc(C(C)(C)C)nc(=O)[n-]2)n1 ZINC000299762182 206186065 /nfs/dbraw/zinc/18/60/65/206186065.db2.gz LRWSCGKLDASBNY-LBPRGKRZSA-N -1 3 381.436 3.329 50 0 GGAAHM O=C(c1cccc(-c2cc(=O)[n-]cn2)c1)N1CCCC[C@H]1CCn1cccn1 ZINC000299779081 206189749 /nfs/dbraw/zinc/18/97/49/206189749.db2.gz PSSYUTRTRKXRBH-SFHVURJKSA-N -1 3 377.448 3.131 50 0 GGAAHM Cc1ccc(C([O-])=C2[C@@H](c3ccccc3F)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000004279741 206215339 /nfs/dbraw/zinc/21/53/39/206215339.db2.gz FNUFUXVFAHXWNU-HDMKZQKVSA-N -1 3 396.340 3.238 50 0 GGAAHM Cc1nc(N2CCC(C)CC2)ncc1-c1cc(=O)[n-]c(NCc2ccccc2)n1 ZINC000039383707 132390916 /nfs/dbraw/zinc/39/09/16/132390916.db2.gz VMFZZJMKRPQKET-UHFFFAOYSA-N -1 3 390.491 3.384 50 0 GGAAHM Cc1nc([C@@H]2CCCN(c3ccc(-c4nc(CC(C)C)no4)cn3)C2)cc(=O)[n-]1 ZINC000072453657 136170725 /nfs/dbraw/zinc/17/07/25/136170725.db2.gz DLJAXQUUPBAPSU-MRXNPFEDSA-N -1 3 394.479 3.106 50 0 GGAAHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)Nc1ccc(F)cc1 ZINC000000665347 564180023 /nfs/dbraw/zinc/18/00/23/564180023.db2.gz HMLQIONWMRVZTM-UHFFFAOYSA-N -1 3 377.224 3.050 50 0 GGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(I)cc2)cc1 ZINC000000642709 564180073 /nfs/dbraw/zinc/18/00/73/564180073.db2.gz IZFXUDFLHCDFFD-UHFFFAOYSA-N -1 3 389.214 3.101 50 0 GGAAHM COc1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)OCO3)c(Cl)c1Cl ZINC000000810778 564181483 /nfs/dbraw/zinc/18/14/83/564181483.db2.gz NZZBTRAUEZBFQG-UHFFFAOYSA-N -1 3 390.244 3.209 50 0 GGAAHM CC1=NN(C(=O)c2cccc([O-])c2)[C@](O)(c2ccc(Br)cc2)C1 ZINC000000845814 564181534 /nfs/dbraw/zinc/18/15/34/564181534.db2.gz WJGXTLJXRYQNPG-QGZVFWFLSA-N -1 3 375.222 3.222 50 0 GGAAHM CCOC(=O)c1c(C)c(C)sc1[N-]C(=O)c1nn2cccnc2c1Cl ZINC000001068546 564182562 /nfs/dbraw/zinc/18/25/62/564182562.db2.gz ZDYIZDVOFFJAPP-UHFFFAOYSA-N -1 3 378.841 3.490 50 0 GGAAHM O=C1[N-]C(=O)C(=Cc2cccn2-c2ccc(I)cc2)S1 ZINC000001176032 564184519 /nfs/dbraw/zinc/18/45/19/564184519.db2.gz WULPZLALUZGQBV-XYOKQWHBSA-N -1 3 396.209 3.406 50 0 GGAAHM COc1cc(S(=O)(=O)[N-]CCOc2ccc(C)cc2)c(OC)cc1Cl ZINC000002170588 564186890 /nfs/dbraw/zinc/18/68/90/564186890.db2.gz QCNKROINZYGIAX-UHFFFAOYSA-N -1 3 385.869 3.023 50 0 GGAAHM CCOC(=O)C(Sc1nn(CCOc2ccccc2)c(=S)s1)=C(C)[O-] ZINC000002422055 564187862 /nfs/dbraw/zinc/18/78/62/564187862.db2.gz FQTGXIKEKOKLEM-CYBMUJFWSA-N -1 3 398.531 3.366 50 0 GGAAHM O=C([N-]c1ccc(F)cc1)c1nnsc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000003105651 564193587 /nfs/dbraw/zinc/19/35/87/564193587.db2.gz ICDOKZOUOOXWGT-UHFFFAOYSA-N -1 3 397.840 3.416 50 0 GGAAHM CS(=O)(=O)c1cccc(-c2nnc([N-]C(=O)c3ccc(Cl)s3)o2)c1 ZINC000004585664 564203761 /nfs/dbraw/zinc/20/37/61/564203761.db2.gz FZIRZKDBDAHIDY-UHFFFAOYSA-N -1 3 383.838 3.107 50 0 GGAAHM Cc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)cs2)no1 ZINC000006681810 564227156 /nfs/dbraw/zinc/22/71/56/564227156.db2.gz LPRKJISHHIOXTB-UHFFFAOYSA-N -1 3 381.410 3.237 50 0 GGAAHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC2)c(Cl)cc1Cl ZINC000012382650 564266829 /nfs/dbraw/zinc/26/68/29/564266829.db2.gz JXSKOAZUHPLGEJ-UHFFFAOYSA-N -1 3 379.309 3.306 50 0 GGAAHM Cc1nnc(=O)[n-]c1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000015831103 564290143 /nfs/dbraw/zinc/29/01/43/564290143.db2.gz FRHYJZRETUWAKN-UHFFFAOYSA-N -1 3 378.763 3.289 50 0 GGAAHM COC(=O)c1c([N-]C(=O)c2nc(SC)ncc2Cl)sc2c1CCC2 ZINC000016742526 564296229 /nfs/dbraw/zinc/29/62/29/564296229.db2.gz LXDVKNKKBKKDIA-UHFFFAOYSA-N -1 3 383.882 3.441 50 0 GGAAHM COc1nn(C)cc1C(=O)[N-]c1nnc(SCc2ccccc2Cl)s1 ZINC000021011370 564308803 /nfs/dbraw/zinc/30/88/03/564308803.db2.gz OEIQSSCNGXISOV-UHFFFAOYSA-N -1 3 395.897 3.478 50 0 GGAAHM Cc1oc(C(=O)[N-]c2nccs2)cc1S(=O)(=O)N(C)c1ccccc1 ZINC000038489387 564423518 /nfs/dbraw/zinc/42/35/18/564423518.db2.gz FRCCIKRFVAVDOY-UHFFFAOYSA-N -1 3 377.447 3.122 50 0 GGAAHM Cc1ccc2[nH]c(=O)c(CC[N-]S(=O)(=O)c3ccc(Cl)s3)cc2c1 ZINC000041169989 564429996 /nfs/dbraw/zinc/42/99/96/564429996.db2.gz LHGNNBOZEVICKU-UHFFFAOYSA-N -1 3 382.894 3.072 50 0 GGAAHM O=C(Cn1ccc2ccc(Br)cc21)Nc1nnc(C(F)(F)F)[n-]1 ZINC000095475578 564899903 /nfs/dbraw/zinc/89/99/03/564899903.db2.gz WURIRFWPMAZYIE-UHFFFAOYSA-N -1 3 388.147 3.179 50 0 GGAAHM O=C(Cn1ccc2ccc(Br)cc21)Nc1nc(C(F)(F)F)n[n-]1 ZINC000095475578 564899906 /nfs/dbraw/zinc/89/99/06/564899906.db2.gz WURIRFWPMAZYIE-UHFFFAOYSA-N -1 3 388.147 3.179 50 0 GGAAHM O=C1[C@@H]2C(c3ccccc3Cl)=NOC2=C([O-])N1c1ccc(F)c(Cl)c1 ZINC000101359348 564915573 /nfs/dbraw/zinc/91/55/73/564915573.db2.gz USLQNDYHEGTRBN-UKRRQHHQSA-N -1 3 379.174 3.425 50 0 GGAAHM O=C1[C@H]2C(c3ccc(Cl)cc3Cl)=NOC2=C([O-])N1c1ccc(F)cc1 ZINC000103514828 564950453 /nfs/dbraw/zinc/95/04/53/564950453.db2.gz ZLIUAVBWRKFOJP-ZFWWWQNUSA-N -1 3 379.174 3.425 50 0 GGAAHM O=C1[C@H]2C(c3ccc(Cl)cc3Cl)=NOC2=C([O-])N1c1ccc(F)cc1 ZINC000103514832 564950686 /nfs/dbraw/zinc/95/06/86/564950686.db2.gz ZLIUAVBWRKFOJP-DZGCQCFKSA-N -1 3 379.174 3.425 50 0 GGAAHM O=S(=O)(Cc1ccccc1F)[N-]CC(O)(c1cccs1)c1cccs1 ZINC000390827597 565558976 /nfs/dbraw/zinc/55/89/76/565558976.db2.gz IETPQPYMJOXPHR-UHFFFAOYSA-N -1 3 397.518 3.304 50 0 GGAAHM COc1ccc(-c2ccc(C(=O)N3CCC[C@@H](c4cc(=O)[n-]cn4)C3)o2)cc1 ZINC000096161591 570216914 /nfs/dbraw/zinc/21/69/14/570216914.db2.gz BFXNYTQLAUMATC-OAHLLOKOSA-N -1 3 379.416 3.058 50 0 GGAAHM CC(C)CCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1ccc(F)cc1)C3 ZINC000019821157 570222724 /nfs/dbraw/zinc/22/27/24/570222724.db2.gz QKTATTLQOZIDFO-CQSZACIVSA-N -1 3 395.434 3.183 50 0 GGAAHM CCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1ccc(Cl)cc1)C3 ZINC000019821135 570222943 /nfs/dbraw/zinc/22/29/43/570222943.db2.gz QAFFOLSXTVPEJS-LBPRGKRZSA-N -1 3 383.835 3.061 50 0 GGAAHM COc1ccc(C(=O)N2NC3=C(CCCCC3)[C@]2([O-])C(F)(F)F)cc1OC ZINC000000793136 570223507 /nfs/dbraw/zinc/22/35/07/570223507.db2.gz IBCOQCAXKSDFOJ-SJCJKPOMSA-N -1 3 386.370 3.347 50 0 GGAAHM COc1ccc(C(=O)N2NC3=C(CCCCC3)[C@]2([O-])C(F)(F)F)cc1OC ZINC000000793137 570223569 /nfs/dbraw/zinc/22/35/69/570223569.db2.gz IBCOQCAXKSDFOJ-PXAZEXFGSA-N -1 3 386.370 3.347 50 0 GGAAHM COc1ccc(C(=O)N2NC3=C(CCCCC3)[C@@]2([O-])C(F)(F)F)cc1OC ZINC000000793139 570223631 /nfs/dbraw/zinc/22/36/31/570223631.db2.gz IBCOQCAXKSDFOJ-SJKOYZFVSA-N -1 3 386.370 3.347 50 0 GGAAHM COc1cccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4[O-])cc3C2=O)c1 ZINC000001023809 570235535 /nfs/dbraw/zinc/23/55/35/570235535.db2.gz JNUCQLRMRGGZKU-UHFFFAOYSA-N -1 3 388.379 3.454 50 0 GGAAHM Cc1ccc(-n2c(SCC(=O)Nc3ccccc3)nc3c2nc[n-]c3=O)cc1 ZINC000020394346 570254002 /nfs/dbraw/zinc/25/40/02/570254002.db2.gz RQRFYRWQAWMJIC-UHFFFAOYSA-N -1 3 391.456 3.148 50 0 GGAAHM Cn1c2cc(Cl)c(S(=O)(=O)[N-][C@@H]3CCCc4ccccc43)cc2oc1=O ZINC000020428114 570255474 /nfs/dbraw/zinc/25/54/74/570255474.db2.gz OMHKDGOZXLXVCJ-CQSZACIVSA-N -1 3 392.864 3.141 50 0 GGAAHM Cc1cc2nc(CN3CCC[C@H](CCc4ccc(F)c(F)c4)C3)cc(=O)n2[n-]1 ZINC000102070227 570256660 /nfs/dbraw/zinc/25/66/60/570256660.db2.gz HBKOQPXOORCCJX-MRXNPFEDSA-N -1 3 386.446 3.454 50 0 GGAAHM Cc1ccc(C([O-])=C2[C@@H](c3ccc(F)cc3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000001464485 570263936 /nfs/dbraw/zinc/26/39/36/570263936.db2.gz XTEXKLOHKUNMQQ-DAYGRLMNSA-N -1 3 396.340 3.238 50 0 GGAAHM CCCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000002070858 570273362 /nfs/dbraw/zinc/27/33/62/570273362.db2.gz XHXVCVXXSBOXLR-OAHLLOKOSA-N -1 3 382.844 3.368 50 0 GGAAHM CN1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(OCc4ccccc4)cc32)CC1 ZINC000020676634 570275028 /nfs/dbraw/zinc/27/50/28/570275028.db2.gz HVHPURIEHYCFRJ-NRFANRHFSA-N -1 3 379.460 3.120 50 0 GGAAHM COc1ccccc1N1CCN([C@H](C(=O)[O-])c2c[nH]c3cc(F)ccc32)CC1 ZINC000020714364 570275407 /nfs/dbraw/zinc/27/54/07/570275407.db2.gz WOQWCAFNCNKGOQ-FQEVSTJZSA-N -1 3 383.423 3.264 50 0 GGAAHM Cc1noc(C)c1CN1CCN([C@@H](C(=O)[O-])c2c(C)[nH]c3ccccc32)CC1 ZINC000020716894 570275803 /nfs/dbraw/zinc/27/58/03/570275803.db2.gz GRFJJXCNNMXSCB-HXUWFJFHSA-N -1 3 382.464 3.025 50 0 GGAAHM COc1cccc(N2CCN([C@H](C(=O)[O-])c3c[nH]c4ccc(C)cc43)CC2)c1 ZINC000020717087 570275841 /nfs/dbraw/zinc/27/58/41/570275841.db2.gz IXROSGNFDQAIJV-NRFANRHFSA-N -1 3 379.460 3.433 50 0 GGAAHM COc1ccccc1N1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(C)cc32)CC1 ZINC000020727761 570276973 /nfs/dbraw/zinc/27/69/73/570276973.db2.gz MMGXESCARQWSRY-NRFANRHFSA-N -1 3 379.460 3.433 50 0 GGAAHM COC(=O)[C@]([O-])(c1ccc(NC(=O)Oc2ccccc2)c(OC)c1)C(F)(F)F ZINC000002274127 570280941 /nfs/dbraw/zinc/28/09/41/570280941.db2.gz JHDMKHOPCAUVLU-QGZVFWFLSA-N -1 3 399.321 3.229 50 0 GGAAHM O=C([N-]c1nnc(CCS(=O)(=O)c2ccccc2)o1)c1cc2ccccc2o1 ZINC000010692503 570282582 /nfs/dbraw/zinc/28/25/82/570282582.db2.gz GMXWHJJRMNXNRS-UHFFFAOYSA-N -1 3 397.412 3.085 50 0 GGAAHM CCCOC(=O)c1c(C)c(C(=O)OC)sc1[N-]C(=O)c1c(C)noc1C ZINC000002486502 570288308 /nfs/dbraw/zinc/28/83/08/570288308.db2.gz OSNFAIRJMJZZHJ-UHFFFAOYSA-N -1 3 380.422 3.267 50 0 GGAAHM CCS(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccccc3Cl)o2)cc1 ZINC000005241852 570306741 /nfs/dbraw/zinc/30/67/41/570306741.db2.gz MJOGMDWMJQSMNM-UHFFFAOYSA-N -1 3 391.836 3.436 50 0 GGAAHM [O-]c1ccc(CN2CCN(Cc3ccccc3F)[C@H](CCO)C2)cc1Cl ZINC000107100723 570308516 /nfs/dbraw/zinc/30/85/16/570308516.db2.gz DQHRDMFLSKACKS-QGZVFWFLSA-N -1 3 378.875 3.254 50 0 GGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCCC3)cc2)cc1 ZINC000002888495 570316766 /nfs/dbraw/zinc/31/67/66/570316766.db2.gz FHKLXUFKMDHFPH-UHFFFAOYSA-N -1 3 388.489 3.187 50 0 GGAAHM CCOC(=O)[C@@]([N-]c1cccc(C(C)=O)c1)(NC(=O)c1ccco1)C(F)(F)F ZINC000003103609 570328769 /nfs/dbraw/zinc/32/87/69/570328769.db2.gz FKDNZDIAZLCZFE-QGZVFWFLSA-N -1 3 398.337 3.146 50 0 GGAAHM CCCc1cc(=O)[n-]c(-c2cccc(CN3CCC(Cn4cccn4)CC3)c2)n1 ZINC000023215160 570350528 /nfs/dbraw/zinc/35/05/28/570350528.db2.gz FMCLMTNVHTWQQU-UHFFFAOYSA-N -1 3 391.519 3.498 50 0 GGAAHM COc1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](c1cc2ccccc2o1)N(C)C ZINC000575618722 570363843 /nfs/dbraw/zinc/36/38/43/570363843.db2.gz BIOCJEJVOGEEEV-HNNXBMFYSA-N -1 3 392.452 3.162 50 0 GGAAHM CC(C)n1cnc(S(=O)(=O)[N-]C[C@H](c2csc3ccccc32)N(C)C)c1 ZINC000575620954 570369282 /nfs/dbraw/zinc/36/92/82/570369282.db2.gz NDJSVUZUASIGFP-MRXNPFEDSA-N -1 3 392.550 3.260 50 0 GGAAHM CC(C)n1cnc(S(=O)(=O)[N-]C[C@@H](c2csc3ccccc32)N(C)C)c1 ZINC000575620946 570369318 /nfs/dbraw/zinc/36/93/18/570369318.db2.gz NDJSVUZUASIGFP-INIZCTEOSA-N -1 3 392.550 3.260 50 0 GGAAHM CCOC(=O)c1sc([N-]C(=O)c2snnc2CC)c(C(=O)OCC)c1C ZINC000004941929 570377263 /nfs/dbraw/zinc/37/72/63/570377263.db2.gz JNUNCTGVPXRLKW-UHFFFAOYSA-N -1 3 397.478 3.076 50 0 GGAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccnc2)cc1 ZINC000245310685 570435354 /nfs/dbraw/zinc/43/53/54/570435354.db2.gz JSTGERLJWPAZMN-NJDAHSKKSA-N -1 3 385.423 3.441 50 0 GGAAHM Cc1ccnn1Cc1n[n-]c(=S)n1-c1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000002730907 570511713 /nfs/dbraw/zinc/51/17/13/570511713.db2.gz HGNFWJVRDYNIEF-UHFFFAOYSA-N -1 3 393.520 3.279 50 0 GGAAHM CC(C)CCN1c2nc(Nc3cc(F)c([O-])c(F)c3)ncc2N(C)C(=O)[C@H]1C ZINC000033359423 570525905 /nfs/dbraw/zinc/52/59/05/570525905.db2.gz DTEKTGDVSARYDS-LLVKDONJSA-N -1 3 391.422 3.421 50 0 in-vitro GGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1N1CCCC1=O ZINC000005329720 570554753 /nfs/dbraw/zinc/55/47/53/570554753.db2.gz KKHSKUGKKFTFNW-UHFFFAOYSA-N -1 3 378.425 3.070 50 0 GGAAHM O=C(c1ccc(COc2ccc3c(c2)CCC3)o1)N1NC=C[C@]1([O-])C(F)(F)F ZINC000006829262 570626497 /nfs/dbraw/zinc/62/64/97/570626497.db2.gz FKIDBQIORYJEFN-SFHVURJKSA-N -1 3 394.349 3.430 50 0 GGAAHM NC(=O)c1ccccc1NC(=O)c1cnc2c(cccc2C(F)(F)F)c1[O-] ZINC000012421846 570673123 /nfs/dbraw/zinc/67/31/23/570673123.db2.gz TZTQIHONGXPFJK-UHFFFAOYSA-N -1 3 375.306 3.310 50 0 GGAAHM Cc1c([O-])ccc2c(C)c(CCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)c(=O)oc12 ZINC000016032587 570686290 /nfs/dbraw/zinc/68/62/90/570686290.db2.gz BPXMFZBVPOADGH-MWTRTKDXSA-N -1 3 399.487 3.202 50 0 biogenic GGAAHM CC(C)NC(=O)N([O-])[C@@H]1N(Cc2ccc3c(c2)OCO3)C(=S)SC1(C)C ZINC000013115932 570746957 /nfs/dbraw/zinc/74/69/57/570746957.db2.gz IUFTXJCVBHPPLE-AWEZNQCLSA-N -1 3 397.522 3.163 50 0 GGAAHM CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1[O-] ZINC000013124561 570747413 /nfs/dbraw/zinc/74/74/13/570747413.db2.gz XBXFKYLICJNQPK-UHFFFAOYSA-N -1 3 398.444 3.130 50 0 GGAAHM Cc1cc(C(=O)[N-]c2nncs2)c2c(n1)onc2-c1ccc2c(c1)OCO2 ZINC000013641170 570765609 /nfs/dbraw/zinc/76/56/09/570765609.db2.gz WHBLEJANCXWFPT-UHFFFAOYSA-N -1 3 381.373 3.031 50 0 GGAAHM C[C@@H]1c2cc(S(=O)(=O)[N-]c3ccc(F)cc3F)cc3c2N(CCC3)C1=O ZINC000101079030 570793799 /nfs/dbraw/zinc/79/37/99/570793799.db2.gz RANUZABYBBLNQV-SNVBAGLBSA-N -1 3 378.400 3.162 50 0 GGAAHM C[C@@H]1c2cc(S(=O)(=O)[N-]c3cc(F)ccc3F)cc3c2N(CCC3)C1=O ZINC000101079035 570793882 /nfs/dbraw/zinc/79/38/82/570793882.db2.gz WYVGBACFCXWTSB-SNVBAGLBSA-N -1 3 378.400 3.162 50 0 GGAAHM COc1ccc(-c2cc(=O)[n-]c(N3CCN(c4ccc(Cl)cc4)CC3)n2)cc1 ZINC000013847873 570794761 /nfs/dbraw/zinc/79/47/61/570794761.db2.gz LVABOTDVLLLSSU-UHFFFAOYSA-N -1 3 396.878 3.426 50 0 GGAAHM COc1cc(/N=c2\scc(-c3ccc(O)cc3[O-])n2C)cc(OC)c1OC ZINC000101716978 570829567 /nfs/dbraw/zinc/82/95/67/570829567.db2.gz BGGGDEPJKCFQLZ-VXPUYCOJSA-N -1 3 388.445 3.423 50 0 GGAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccncc2)cc1 ZINC000102732115 570859431 /nfs/dbraw/zinc/85/94/31/570859431.db2.gz YDZKQEDKBUHTJD-QHAWAJNXSA-N -1 3 385.423 3.441 50 0 GGAAHM CCn1c(SCC(=O)[N-]C2=NCCS2)nnc1-c1cc2ccccc2o1 ZINC000013956576 570868189 /nfs/dbraw/zinc/86/81/89/570868189.db2.gz HXYJEMUXZYPJTF-UHFFFAOYSA-N -1 3 387.490 3.022 50 0 GGAAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccco1 ZINC000102954327 570872399 /nfs/dbraw/zinc/87/23/99/570872399.db2.gz CXIOBYOTIYUKFC-GBESFXJTSA-N -1 3 378.359 3.470 50 0 GGAAHM Cc1cc(N(C)C)nc(Nc2ccc([N-]S(=O)(=O)c3ccccc3)cc2)n1 ZINC000017013932 570924201 /nfs/dbraw/zinc/92/42/01/570924201.db2.gz ZQCZDNCTYGHQCI-UHFFFAOYSA-N -1 3 383.477 3.395 50 0 GGAAHM COCCn1ccc2c1cccc2OCC(=O)Nc1n[n-]c(-c2cccs2)n1 ZINC000263587130 570928998 /nfs/dbraw/zinc/92/89/98/570928998.db2.gz COVLNPAOPHYMPF-UHFFFAOYSA-N -1 3 397.460 3.152 50 0 GGAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)N3CCCC3)cc2)cc1 ZINC000017079996 570940716 /nfs/dbraw/zinc/94/07/16/570940716.db2.gz LOUPDIATPIIGDP-UHFFFAOYSA-N -1 3 391.518 3.289 50 0 GGAAHM Cc1ccccc1CS(=O)(=O)c1nnc([N-]C(=O)c2ccccc2F)s1 ZINC000017113172 570941668 /nfs/dbraw/zinc/94/16/68/570941668.db2.gz VJJCMLLBAQZRNX-UHFFFAOYSA-N -1 3 391.449 3.212 50 0 GGAAHM COc1ccc([C@@H]2Cn3nnc(C(=O)[N-]c4cc(F)ccc4F)c3CO2)cc1 ZINC000263615815 570953538 /nfs/dbraw/zinc/95/35/38/570953538.db2.gz FHWRXYILDHHDAT-KRWDZBQOSA-N -1 3 386.358 3.089 50 0 GGAAHM COc1cc(Nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)nc(C)n1 ZINC000012226125 570968171 /nfs/dbraw/zinc/96/81/71/570968171.db2.gz DZOPDCXXYXXWOJ-UHFFFAOYSA-N -1 3 388.424 3.477 50 0 GGAAHM O=C(c1cccc([O-])c1)N1CCC2(CCC(=O)N(CCc3ccccc3)C2)CC1 ZINC000091651239 571023050 /nfs/dbraw/zinc/02/30/50/571023050.db2.gz ZKXOGHAXIQFMNX-UHFFFAOYSA-N -1 3 392.499 3.480 50 0 GGAAHM COc1ccc([C@@H]2CN(C(=O)c3cc(C)ccc3[O-])[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095355592 571051718 /nfs/dbraw/zinc/05/17/18/571051718.db2.gz CUHLEILKYYIHBK-MDNUFGMLSA-N -1 3 392.499 3.412 50 0 GGAAHM COc1ccc(C)cc1[C@@H](C(=O)[O-])N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000095360753 571055218 /nfs/dbraw/zinc/05/52/18/571055218.db2.gz IGUGLUCXAZIUIU-NRFANRHFSA-N -1 3 386.467 3.476 50 0 GGAAHM Cc1ccc(-c2cccc(CN3CCC4(CC3)[C@@H](C(=O)[O-])CC(=O)N4C)c2)o1 ZINC000095361387 571055658 /nfs/dbraw/zinc/05/56/58/571055658.db2.gz IRLZPQPCRUWIBH-GOSISDBHSA-N -1 3 382.460 3.153 50 0 GGAAHM O=C([O-])[C@@H](c1ccc(NC(=O)N2CCCC2)cc1)N1CCc2ccccc2C1 ZINC000095363069 571056629 /nfs/dbraw/zinc/05/66/29/571056629.db2.gz SOMYUUSILWHFAX-HXUWFJFHSA-N -1 3 379.460 3.498 50 0 GGAAHM COc1ccc([C@H](C(=O)[O-])N2CCCN(c3ccc(F)cc3)CC2)cc1F ZINC000095367508 571059531 /nfs/dbraw/zinc/05/95/31/571059531.db2.gz OOOQWTXNDLIGSH-LJQANCHMSA-N -1 3 376.403 3.311 50 0 GGAAHM Cc1ccc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)c([O-])c1 ZINC000095383781 571069193 /nfs/dbraw/zinc/06/91/93/571069193.db2.gz AUZKNSJLZUMMTB-KSEOMHKRSA-N -1 3 378.472 3.109 50 0 GGAAHM Cc1ccc(C(=O)N2CCC(c3nccn3Cc3ccncc3)CC2)c([O-])c1 ZINC000095502796 571077147 /nfs/dbraw/zinc/07/71/47/571077147.db2.gz ABACTNYTXHIFDP-UHFFFAOYSA-N -1 3 376.460 3.360 50 0 GGAAHM Cc1cc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)ccc1[O-] ZINC000095518916 571085520 /nfs/dbraw/zinc/08/55/20/571085520.db2.gz SGQMFKQDFPNBIA-LJQANCHMSA-N -1 3 376.460 3.360 50 0 GGAAHM COc1ccccc1OC1(C(=O)[O-])CCN(Cc2cc(C(C)(C)C)[nH]n2)CC1 ZINC000095526261 571090743 /nfs/dbraw/zinc/09/07/43/571090743.db2.gz YHCIVXMRTOUCLX-UHFFFAOYSA-N -1 3 387.480 3.214 50 0 GGAAHM Cc1ccc(N2C(=O)C[C@@H](Sc3nnc(-c4ccccc4[O-])o3)C2=O)cc1 ZINC000001298635 1398302134 /nfs/dbraw/zinc/30/21/34/1398302134.db2.gz OXZXVNFURBAVMY-OAHLLOKOSA-N -1 3 381.413 3.175 50 0 GGAAHM O=C(Nc1nnc(Sc2ccc([N+](=O)[O-])cn2)[n-]1)C(Cl)=C(Cl)Cl ZINC000002154193 1398304842 /nfs/dbraw/zinc/30/48/42/1398304842.db2.gz VLFDKDLZBIKCPM-UHFFFAOYSA-N -1 3 395.615 3.083 50 0 GGAAHM O=C(Nc1nc(Sc2ccc([N+](=O)[O-])cn2)n[n-]1)C(Cl)=C(Cl)Cl ZINC000002154193 1398304852 /nfs/dbraw/zinc/30/48/52/1398304852.db2.gz VLFDKDLZBIKCPM-UHFFFAOYSA-N -1 3 395.615 3.083 50 0 GGAAHM O=C(Nc1n[n-]c(Sc2ccc([N+](=O)[O-])cn2)n1)C(Cl)=C(Cl)Cl ZINC000002154193 1398304862 /nfs/dbraw/zinc/30/48/62/1398304862.db2.gz VLFDKDLZBIKCPM-UHFFFAOYSA-N -1 3 395.615 3.083 50 0 GGAAHM [O-]c1cc(O)ccc1-c1nc2c3cnn(-c4cccc(Cl)c4)c3ncn2n1 ZINC000002408161 1398310172 /nfs/dbraw/zinc/31/01/72/1398310172.db2.gz WQHSDCQZDKQRET-UHFFFAOYSA-N -1 3 378.779 3.195 50 0 GGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)C(C)(C)CO3)cc1C ZINC000009173372 1398854542 /nfs/dbraw/zinc/85/45/42/1398854542.db2.gz STIQWZOLTCOZPB-UHFFFAOYSA-N -1 3 390.461 3.162 50 0 GGAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)c1 ZINC000009170104 1398854621 /nfs/dbraw/zinc/85/46/21/1398854621.db2.gz KSOGOSAVYQLUFC-UHFFFAOYSA-N -1 3 388.489 3.486 50 0 GGAAHM Cc1cc(C)nc(-n2nc3[n-]cc4c(c-3c2=O)C[C@@H](c2ccccc2)CC4=O)n1 ZINC000009484479 1398859459 /nfs/dbraw/zinc/85/94/59/1398859459.db2.gz DGAQRCOETXBECS-OAHLLOKOSA-N -1 3 385.427 3.033 50 0 GGAAHM Cc1ccc(C(=O)N2CCC(c3cc(=O)[n-]c(C)n3)CC2)cc1-n1cccc1 ZINC000023250603 1399544317 /nfs/dbraw/zinc/54/43/17/1399544317.db2.gz UCIDAKBKKWSHPT-UHFFFAOYSA-N -1 3 376.460 3.197 50 0 GGAAHM Cc1nc(-c2cccc(CN(CCO)Cc3ccccc3F)c2)[n-]c(=O)c1C ZINC000023428636 1399559734 /nfs/dbraw/zinc/55/97/34/1399559734.db2.gz CURHVXSZSOJAIN-UHFFFAOYSA-N -1 3 381.451 3.187 50 0 GGAAHM COc1c(F)cc(-c2c(-c3ccccc3)ncn2CCc2nnn[n-]2)cc1F ZINC000067817587 1409237300 /nfs/dbraw/zinc/23/73/00/1409237300.db2.gz ILUWYZICTPDKMV-UHFFFAOYSA-N -1 3 382.374 3.260 50 0 GGAAHM COc1c(F)cc(-c2c(-c3ccccc3)ncn2CCc2nn[n-]n2)cc1F ZINC000067817587 1409237304 /nfs/dbraw/zinc/23/73/04/1409237304.db2.gz ILUWYZICTPDKMV-UHFFFAOYSA-N -1 3 382.374 3.260 50 0 GGAAHM CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2cccc(O)c2)CCO1 ZINC000096230702 1410325626 /nfs/dbraw/zinc/32/56/26/1410325626.db2.gz NFVMPOCZCMJELM-MLGOLLRUSA-N -1 3 389.477 3.199 50 0 GGAAHM CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2cccc(O)c2)CCO1 ZINC000096230700 1410326026 /nfs/dbraw/zinc/32/60/26/1410326026.db2.gz NFVMPOCZCMJELM-WBMJQRKESA-N -1 3 389.477 3.199 50 0 GGAAHM CCc1ccc2occ(CC(=O)N3CCC(c4cc(=O)[n-]c(C)n4)CC3)c2c1 ZINC000102586426 1410660784 /nfs/dbraw/zinc/66/07/84/1410660784.db2.gz ZENOXHQBKKZVFJ-UHFFFAOYSA-N -1 3 379.460 3.336 50 0 GGAAHM Cc1ccnc(NC(=O)c2c([O-])n(Cc3ccco3)c3c(c2=O)CCCC3)c1 ZINC000137138634 1417370498 /nfs/dbraw/zinc/37/04/98/1417370498.db2.gz POBWHUFAKPAEKU-UHFFFAOYSA-N -1 3 379.416 3.030 50 0 GGAAHM Cc1ccnc(NC(=O)c2c([O-])c3c(n(Cc4ccco4)c2=O)CCCC3)c1 ZINC000137138634 1417370505 /nfs/dbraw/zinc/37/05/05/1417370505.db2.gz POBWHUFAKPAEKU-UHFFFAOYSA-N -1 3 379.416 3.030 50 0 GGAAHM O=C(N[C@H](CCn1cncn1)c1ccccc1)c1c[n-]nc1-c1cccs1 ZINC000426433696 231220952 /nfs/dbraw/zinc/22/09/52/231220952.db2.gz STYONJXBPVKZLX-MRXNPFEDSA-N -1 3 378.461 3.291 50 0 GGAAHM CCOC(=O)c1csc(N2N=C(c3ccc(C)cc3)C[C@]2([O-])C(F)(F)F)n1 ZINC000004478279 209120162 /nfs/dbraw/zinc/12/01/62/209120162.db2.gz TUXLHSHRECBKLM-INIZCTEOSA-N -1 3 399.394 3.494 50 0 GGAAHM O=C1N[C@H](c2ccccc2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)C(F)F)N1 ZINC000005242256 209122104 /nfs/dbraw/zinc/12/21/04/209122104.db2.gz YCHBDOCDHQISDQ-LPMFXHHGSA-N -1 3 396.340 3.129 50 0 GGAAHM O=S(=O)([N-]C[C@](O)(c1ccoc1)c1cccs1)c1ccc(Cl)s1 ZINC000244970254 206279893 /nfs/dbraw/zinc/27/98/93/206279893.db2.gz HPSRHHFLEKMIOI-AWEZNQCLSA-N -1 3 389.907 3.270 50 0 GGAAHM O=S(=O)(Cc1ccccc1Cl)[N-]C[C@](O)(c1ccsc1)c1ccco1 ZINC000244983827 206280045 /nfs/dbraw/zinc/28/00/45/206280045.db2.gz ISMGRNBOSZEZMO-KRWDZBQOSA-N -1 3 397.905 3.350 50 0 GGAAHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccncc2)c1 ZINC000245327322 206281032 /nfs/dbraw/zinc/28/10/32/206281032.db2.gz OJHPYDFJLAURAB-NJDAHSKKSA-N -1 3 385.423 3.441 50 0 GGAAHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccnc1 ZINC000245327326 206281410 /nfs/dbraw/zinc/28/14/10/206281410.db2.gz OKIOGBUHXQLPFA-NJDAHSKKSA-N -1 3 385.423 3.441 50 0 GGAAHM COC(=O)C[C@@H](c1ccc(OC)cc1OC)c1oc2ccccc2c(=O)c1[O-] ZINC000253397673 206282887 /nfs/dbraw/zinc/28/28/87/206282887.db2.gz BOSWRTJVWIKROK-HNNXBMFYSA-N -1 3 384.384 3.211 50 0 biogenic GGAAHM O=S(=O)(Cc1ccccc1Cl)[N-]C[C@@](O)(c1ccoc1)c1cccs1 ZINC000253471179 206283197 /nfs/dbraw/zinc/28/31/97/206283197.db2.gz BJYVOUBLGWKZPS-QGZVFWFLSA-N -1 3 397.905 3.350 50 0 GGAAHM COc1ccc([C@H]2Cn3nnc(C(=O)[N-]c4cc(F)ccc4F)c3CO2)cc1 ZINC000263615816 206288558 /nfs/dbraw/zinc/28/85/58/206288558.db2.gz FHWRXYILDHHDAT-QGZVFWFLSA-N -1 3 386.358 3.089 50 0 GGAAHM CCc1cc2c(CN3CCN(Cc4ccccc4)CC3)cc(=O)oc2cc1[O-] ZINC000020547352 206296558 /nfs/dbraw/zinc/29/65/58/206296558.db2.gz GHGBUVFGWVYFOX-UHFFFAOYSA-N -1 3 378.472 3.379 50 0 GGAAHM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)C(C)(C)CO3)ccc1F ZINC000009173585 206307129 /nfs/dbraw/zinc/30/71/29/206307129.db2.gz OMGLTNFISSVHHN-UHFFFAOYSA-N -1 3 378.425 3.292 50 0 GGAAHM CCN1c2cc([N-]S(=O)(=O)c3ccc(F)cc3)ccc2OCC(C)(C)C1=O ZINC000009170484 206307173 /nfs/dbraw/zinc/30/71/73/206307173.db2.gz BARNDORZCJKLRP-UHFFFAOYSA-N -1 3 392.452 3.398 50 0 GGAAHM CC[C@H](C)OC(=O)c1c([N-]C(=O)c2nc3ncccn3n2)sc2c1CCCC2 ZINC000000646533 206311888 /nfs/dbraw/zinc/31/18/88/206311888.db2.gz WJTGQIBXOKYUCI-NSHDSACASA-N -1 3 399.476 3.272 50 0 GGAAHM COc1cccc([C@]2(O)C=C(C(F)(F)F)NN2C(=O)c2ccccc2[O-])c1 ZINC000000705317 206318418 /nfs/dbraw/zinc/31/84/18/206318418.db2.gz ZURGAGJCMCTDTK-QGZVFWFLSA-N -1 3 380.322 3.010 50 0 GGAAHM O=C1C[C@@H](C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CN1c1ccccc1 ZINC000009035449 206304938 /nfs/dbraw/zinc/30/49/38/206304938.db2.gz ALFIPIOLUVENLY-ZDUSSCGKSA-N -1 3 398.406 3.037 50 0 GGAAHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)C(C)(C)CO2 ZINC000009173578 206306356 /nfs/dbraw/zinc/30/63/56/206306356.db2.gz FVVIWMGNDZELMM-UHFFFAOYSA-N -1 3 378.425 3.292 50 0 GGAAHM COc1ccccc1C[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000000983197 206338327 /nfs/dbraw/zinc/33/83/27/206338327.db2.gz QVZQKAZIMFTSQO-UHFFFAOYSA-N -1 3 376.261 3.489 50 0 GGAAHM COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3[O-])C2=O)cc1 ZINC000000985992 206338860 /nfs/dbraw/zinc/33/88/60/206338860.db2.gz SSDABYBQRSWDLJ-MHWRWJLKSA-N -1 3 384.413 3.076 50 0 GGAAHM O=C(NCc1ccc(S(=O)(=O)[N-]C2CCCCC2)s1)c1ccccc1 ZINC000001040383 206344966 /nfs/dbraw/zinc/34/49/66/206344966.db2.gz YYVDJLRXWKLDGX-UHFFFAOYSA-N -1 3 378.519 3.289 50 0 GGAAHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)N2CCCCC2)cc1 ZINC000001073067 206350374 /nfs/dbraw/zinc/35/03/74/206350374.db2.gz BFRIUDDJWSNAFI-UHFFFAOYSA-N -1 3 388.489 3.187 50 0 GGAAHM CCN1CCOc2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc2C1=O ZINC000009828210 206371413 /nfs/dbraw/zinc/37/14/13/206371413.db2.gz BJSIJTFOESXSFG-UHFFFAOYSA-N -1 3 388.489 3.267 50 0 GGAAHM CCN1CCOc2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2C1=O ZINC000009828220 206372456 /nfs/dbraw/zinc/37/24/56/206372456.db2.gz GDUUIELZKXFWKP-UHFFFAOYSA-N -1 3 388.489 3.465 50 0 GGAAHM CN(C)c1ccc(C(=S)N2CCN(C(=S)c3ccccc3[O-])CC2)cc1 ZINC000010272158 206380053 /nfs/dbraw/zinc/38/00/53/206380053.db2.gz XFFCEXDQGMEQLB-UHFFFAOYSA-N -1 3 385.558 3.127 50 0 GGAAHM COc1ccc(F)cc1S(=O)(=O)[N-]CCc1c(C)[nH]c2c1cccc2C ZINC000001424310 206380654 /nfs/dbraw/zinc/38/06/54/206380654.db2.gz AHGZFEUYKWBICV-UHFFFAOYSA-N -1 3 376.453 3.453 50 0 GGAAHM COc1ccc2[nH]c(C)c(CC[N-]S(=O)(=O)c3cc(F)ccc3OC)c2c1 ZINC000001430037 206380951 /nfs/dbraw/zinc/38/09/51/206380951.db2.gz YXOONQATKIDCSS-UHFFFAOYSA-N -1 3 392.452 3.154 50 0 GGAAHM Cc1ccc(C([O-])=C2[C@@H](c3ccccc3F)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000001464515 206383009 /nfs/dbraw/zinc/38/30/09/206383009.db2.gz FNUFUXVFAHXWNU-DAYGRLMNSA-N -1 3 396.340 3.238 50 0 GGAAHM COc1ccc(-c2cc([O-])c3c(=O)c(OC)c(OC)c(OC)c-3o2)cc1OC ZINC000001614079 206386786 /nfs/dbraw/zinc/38/67/86/206386786.db2.gz DOFJNFPSMUCECH-UHFFFAOYSA-N -1 3 388.372 3.209 50 0 endogenous,in-man GGAAHM COc1ccc(-c2cc(=O)c3c([O-])c(OC)c(OC)c(OC)c3o2)cc1OC ZINC000001614079 206386790 /nfs/dbraw/zinc/38/67/90/206386790.db2.gz DOFJNFPSMUCECH-UHFFFAOYSA-N -1 3 388.372 3.209 50 0 endogenous,in-man GGAAHM O=C(NC(=S)Nc1ccccc1[O-])c1ccccc1I ZINC000001181435 206363814 /nfs/dbraw/zinc/36/38/14/206363814.db2.gz FFXALYUWWDVKOK-UHFFFAOYSA-N -1 3 398.225 3.124 50 0 GGAAHM Cc1c(C(=O)OC(C)C)sc([N-]C(=O)c2cnccn2)c1C(=O)OC(C)C ZINC000001200701 206366764 /nfs/dbraw/zinc/36/67/64/206366764.db2.gz DFLPZQWALKXRPG-UHFFFAOYSA-N -1 3 391.449 3.229 50 0 GGAAHM O=c1cc(CO)oc([C@H](Nc2cccc(C(F)(F)F)c2)c2ccccn2)c1[O-] ZINC000001236071 206370716 /nfs/dbraw/zinc/37/07/16/206370716.db2.gz QXXFYAVFYIHEBC-MRXNPFEDSA-N -1 3 392.333 3.453 50 0 GGAAHM CCOC(=O)[C@]([O-])(c1ccc(N(C)C(=O)c2cccc(F)c2)cc1)C(F)(F)F ZINC000002050573 206395979 /nfs/dbraw/zinc/39/59/79/206395979.db2.gz WOWNKKMXIUYSDD-GOSISDBHSA-N -1 3 399.340 3.415 50 0 GGAAHM COc1ccc(CCNC(=O)CCc2c(C)c3ccc([O-])c(C)c3oc2=O)cc1 ZINC000004743459 206550962 /nfs/dbraw/zinc/55/09/62/206550962.db2.gz SONNQRMZSSDQJK-UHFFFAOYSA-N -1 3 395.455 3.416 50 0 aggregator GGAAHM Cc1ccc(CS(=O)(=O)c2nnc([N-]C(=O)c3cccs3)s2)cc1 ZINC000013551910 206979285 /nfs/dbraw/zinc/97/92/85/206979285.db2.gz GRNHQBXXMUBPOQ-UHFFFAOYSA-N -1 3 379.488 3.134 50 0 GGAAHM O=C(CSc1nc(-c2cc(Br)ccc2[O-])n[nH]1)N1CCCCC1 ZINC000013942005 207004663 /nfs/dbraw/zinc/00/46/63/207004663.db2.gz JFEHNSGKYUZKHV-UHFFFAOYSA-N -1 3 397.298 3.044 50 0 GGAAHM O=C(CSc1n[nH]c(-c2cc(Br)ccc2[O-])n1)N1CCCCC1 ZINC000013942005 207004669 /nfs/dbraw/zinc/00/46/69/207004669.db2.gz JFEHNSGKYUZKHV-UHFFFAOYSA-N -1 3 397.298 3.044 50 0 GGAAHM Cc1c(NC(=O)c2cc(-c3ccccc3[O-])on2)c(=O)n(-c2ccccc2)n1C ZINC000015953239 207069351 /nfs/dbraw/zinc/06/93/51/207069351.db2.gz UCWCLDWOKRRWNF-UHFFFAOYSA-N -1 3 390.399 3.097 50 0 GGAAHM COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2C(c3ccc(F)cc3)=NOC2=C1[O-] ZINC000015999262 207070203 /nfs/dbraw/zinc/07/02/03/207070203.db2.gz VRERUZFCPFTSHT-NVXWUHKLSA-N -1 3 388.782 3.089 50 0 GGAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccncc1 ZINC000017862063 207090406 /nfs/dbraw/zinc/09/04/06/207090406.db2.gz KCOBPCXTEANSGM-HSALFYBXSA-N -1 3 389.386 3.272 50 0 GGAAHM O=C(c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccccc3)c(=O)c1-2)c1ccccc1 ZINC000018173507 207094394 /nfs/dbraw/zinc/09/43/94/207094394.db2.gz LLBJGSNZMIRERE-PZJWPPBQSA-N -1 3 395.418 3.304 50 0 GGAAHM CN(Cc1cnn(C)c1)Cc1cccc(-c2nc(-c3ccccc3)cc(=O)[n-]2)c1 ZINC000019145706 207104213 /nfs/dbraw/zinc/10/42/13/207104213.db2.gz BHYOEQRAKXIYQZ-UHFFFAOYSA-N -1 3 385.471 3.469 50 0 GGAAHM COc1cccc(N2CCN(Cc3ccc(-c4nc(C)cc(=O)[n-]4)cc3)CC2)c1 ZINC000019770589 207162009 /nfs/dbraw/zinc/16/20/09/207162009.db2.gz WDZCPCMOGJLSNN-UHFFFAOYSA-N -1 3 390.487 3.076 50 0 GGAAHM CCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1cccc(Cl)c1)C3 ZINC000019821215 207164114 /nfs/dbraw/zinc/16/41/14/207164114.db2.gz SOSLRAJISDJVDD-LBPRGKRZSA-N -1 3 383.835 3.061 50 0 GGAAHM CC(C)CCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1ccccc1)C3 ZINC000019821091 207165324 /nfs/dbraw/zinc/16/53/24/207165324.db2.gz SHFXRFBGPYWLAV-HNNXBMFYSA-N -1 3 377.444 3.044 50 0 GGAAHM O=S(=O)([N-]CCc1csc(-c2ccncc2)n1)c1ccc(Cl)s1 ZINC000019942567 207171639 /nfs/dbraw/zinc/17/16/39/207171639.db2.gz SOVDRJOCLHHOOF-UHFFFAOYSA-N -1 3 385.923 3.441 50 0 GGAAHM O=C(C[C@H](c1ccccc1)c1cc(Cl)ccc1[O-])NCCN1CCOCC1 ZINC000020001432 207173081 /nfs/dbraw/zinc/17/30/81/207173081.db2.gz PRQIPHCPPAMKFP-GOSISDBHSA-N -1 3 388.895 3.016 50 0 GGAAHM COc1cccc(CN2CCN(Cc3ccc([O-])c(Cl)c3)C[C@@H]2CCO)c1 ZINC000020472419 207196304 /nfs/dbraw/zinc/19/63/04/207196304.db2.gz MHWUZNVRDWCGAK-SFHVURJKSA-N -1 3 390.911 3.123 50 0 GGAAHM COCCc1cc(=O)[n-]c(-c2ccc(CN(C)[C@@H](C)c3ccncc3)cc2)n1 ZINC000020637048 207208694 /nfs/dbraw/zinc/20/86/94/207208694.db2.gz UMTOSSXYCXGVNQ-INIZCTEOSA-N -1 3 378.476 3.214 50 0 GGAAHM COc1ccc(C)cc1-n1nnc(-c2nsc([N-]C(=O)c3ccco3)n2)c1C ZINC000020848798 207214372 /nfs/dbraw/zinc/21/43/72/207214372.db2.gz KJQNVRGRRCIQOF-UHFFFAOYSA-N -1 3 396.432 3.257 50 0 GGAAHM O=c1cc(CCc2ccccc2)nc(-c2ccc(CN3CCOCC3)cc2)[n-]1 ZINC000020861501 207216439 /nfs/dbraw/zinc/21/64/39/207216439.db2.gz WSJUZRAMGFYIQZ-UHFFFAOYSA-N -1 3 375.472 3.054 50 0 GGAAHM CN1CCN([C@H](C(=O)[O-])c2c[nH]c3cc(OCc4ccccc4)ccc32)CC1 ZINC000020713761 207210253 /nfs/dbraw/zinc/21/02/53/207210253.db2.gz MPETUCCUWLTHTF-NRFANRHFSA-N -1 3 379.460 3.120 50 0 GGAAHM COc1cccc(N2CCN([C@H](C(=O)[O-])c3c[nH]c4cc(F)ccc43)CC2)c1 ZINC000020731761 207212405 /nfs/dbraw/zinc/21/24/05/207212405.db2.gz ZMDWRUGSXDCWCQ-FQEVSTJZSA-N -1 3 383.423 3.264 50 0 GGAAHM COc1cc(/C=c2/sc3nc4cc(C)c(C)cc4n3c2=O)cc(Cl)c1[O-] ZINC000022108914 207248862 /nfs/dbraw/zinc/24/88/62/207248862.db2.gz FFYQEQZKTXGRHH-LZYBPNLTSA-N -1 3 386.860 3.441 50 0 GGAAHM Cc1cc(=O)[n-]c(-c2ccccc2CN2CCN(c3ccc(F)cc3F)CC2)n1 ZINC000023339950 207275897 /nfs/dbraw/zinc/27/58/97/207275897.db2.gz ZDNVJJQLTZXRSY-UHFFFAOYSA-N -1 3 396.441 3.346 50 0 GGAAHM CN(Cc1cccc(-c2nc3c(c(=O)[n-]2)CCC3)c1)C[C@@H]1Cc2ccccc2O1 ZINC000023379580 207276818 /nfs/dbraw/zinc/27/68/18/207276818.db2.gz MDFGMEHQFNJMLR-IBGZPJMESA-N -1 3 387.483 3.361 50 0 GGAAHM CN(Cc1cnn(C)c1)Cc1ccc(-c2nc(-c3ccoc3)cc(=O)[n-]2)cc1 ZINC000023620034 207279730 /nfs/dbraw/zinc/27/97/30/207279730.db2.gz BDUFOTGQVUQPFV-UHFFFAOYSA-N -1 3 375.432 3.062 50 0 GGAAHM O=C([O-])[C@@H](c1c[nH]c2cc(Cl)ccc21)N1CCN(Cc2cccnc2)CC1 ZINC000031820477 207386315 /nfs/dbraw/zinc/38/63/15/207386315.db2.gz GENLJAYNNUZGPK-LJQANCHMSA-N -1 3 384.867 3.160 50 0 GGAAHM COc1cc2c(cc1OC)C(=O)[C@@H](Sc1nnc(-c3ccc([O-])cc3)o1)C2 ZINC000032092716 207391515 /nfs/dbraw/zinc/39/15/15/207391515.db2.gz XIYSZSDMWPHASR-INIZCTEOSA-N -1 3 384.413 3.359 50 0 GGAAHM O=C(c1c([O-])cccc1O)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1 ZINC000067840025 207911663 /nfs/dbraw/zinc/91/16/63/207911663.db2.gz UKTZCEJEDKEQGO-UHFFFAOYSA-N -1 3 377.444 3.432 50 0 GGAAHM CCC[C@H](C)N1CC2(CCN(C(=O)c3ccc([O-])c(OC)c3)CC2)OC1=O ZINC000072421177 208019857 /nfs/dbraw/zinc/01/98/57/208019857.db2.gz SFELQEBZDMBQAM-AWEZNQCLSA-N -1 3 376.453 3.016 50 0 GGAAHM COc1cc(CN2CCN(CCOc3ccccc3)CC2)cc(Cl)c1[O-] ZINC000072422913 208021457 /nfs/dbraw/zinc/02/14/57/208021457.db2.gz VRBRYHKGPJIGHU-UHFFFAOYSA-N -1 3 376.884 3.251 50 0 GGAAHM Cc1cnn(C2(C(=O)[O-])CCN(Cc3ccc(-c4ccccn4)cc3)CC2)c1 ZINC000077357585 208042164 /nfs/dbraw/zinc/04/21/64/208042164.db2.gz IEEAIQAPDULUGQ-UHFFFAOYSA-N -1 3 376.460 3.329 50 0 GGAAHM CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(Cc1ccc(CC(C)C)s1)CC2 ZINC000082083575 208077007 /nfs/dbraw/zinc/07/70/07/208077007.db2.gz ZVDLYXOFGFRWPS-SFHVURJKSA-N -1 3 378.538 3.234 50 0 GGAAHM COc1ccc(C(C)C)cc1CN1CCC2(C[C@@H](C(=O)[O-])N(C(C)=O)C2)CC1 ZINC000082137224 208082593 /nfs/dbraw/zinc/08/25/93/208082593.db2.gz BOCGLDKYNXTSEM-IBGZPJMESA-N -1 3 388.508 3.106 50 0 GGAAHM Cc1cccc(C(=O)N2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)c1[O-] ZINC000091562922 208122124 /nfs/dbraw/zinc/12/21/24/208122124.db2.gz FDMFEXFEZDGXAV-UHFFFAOYSA-N -1 3 393.487 3.141 50 0 GGAAHM CCN(CC)[C@H](CNC(=O)c1cnc(-c2cccs2)[n-]c1=O)c1ccco1 ZINC000091518611 208122449 /nfs/dbraw/zinc/12/24/49/208122449.db2.gz DYMWJRWYRQXHIK-CQSZACIVSA-N -1 3 386.477 3.317 50 0 GGAAHM Cc1ccc(-c2ncc(C(=O)N(C)Cc3nc4ccc(C)cc4[nH]3)c(=O)[n-]2)cc1 ZINC000091548117 208122833 /nfs/dbraw/zinc/12/28/33/208122833.db2.gz UFQSXFBADZMXBU-UHFFFAOYSA-N -1 3 387.443 3.202 50 0 GGAAHM CN1CC2(CCN(C(=O)c3ccc([O-])cc3)CC2)C[C@H](c2ccccc2)C1=O ZINC000091616293 208126228 /nfs/dbraw/zinc/12/62/28/208126228.db2.gz VYNMTHCBPYVPCQ-HXUWFJFHSA-N -1 3 378.472 3.261 50 0 GGAAHM COc1ccc(C)cc1[C@H](C(=O)[O-])N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000095360754 208161374 /nfs/dbraw/zinc/16/13/74/208161374.db2.gz IGUGLUCXAZIUIU-OAQYLSRUSA-N -1 3 386.467 3.476 50 0 GGAAHM O=C([O-])[C@H](c1ccc(NC(=O)N2CCCC2)cc1)N1CCc2ccccc2C1 ZINC000095363068 208165018 /nfs/dbraw/zinc/16/50/18/208165018.db2.gz SOMYUUSILWHFAX-FQEVSTJZSA-N -1 3 379.460 3.498 50 0 GGAAHM O=C(c1cccc([O-])c1)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095370805 208166072 /nfs/dbraw/zinc/16/60/72/208166072.db2.gz OUDPSUCXBJCKJT-IOMROCGXSA-N -1 3 384.426 3.373 50 0 GGAAHM CN1CC2(CCN(C(=O)c3ccccc3[O-])CC2)C[C@@H](c2ccccc2)C1=O ZINC000092065852 208148970 /nfs/dbraw/zinc/14/89/70/208148970.db2.gz NAJVPMVRJZSUSQ-IBGZPJMESA-N -1 3 378.472 3.261 50 0 GGAAHM COc1cc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C(C)C)cc(OC)c1OC ZINC000095475381 208192379 /nfs/dbraw/zinc/19/23/79/208192379.db2.gz JNBAQBUPKVCSTH-MRXNPFEDSA-N -1 3 393.465 3.207 50 0 GGAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)CS[C@@H]2c1cc2ccccc2n(C)c1=O ZINC000095473459 208193545 /nfs/dbraw/zinc/19/35/45/208193545.db2.gz XJWULJWNBYVOJZ-MRXNPFEDSA-N -1 3 384.461 3.033 50 0 GGAAHM COCc1cc(=O)c([O-])c([C@@H](CC(=O)OC)c2ccc(Cl)cc2Cl)o1 ZINC000095480476 208194411 /nfs/dbraw/zinc/19/44/11/208194411.db2.gz SPSOJRGNBKXDDY-LBPRGKRZSA-N -1 3 387.215 3.494 50 0 GGAAHM COCCn1ccc2c1cccc2C(=O)Nc1n[n-]c(-c2ccccc2OC)n1 ZINC000095480361 208195874 /nfs/dbraw/zinc/19/58/74/208195874.db2.gz FWYHSJSTHYWSCO-UHFFFAOYSA-N -1 3 391.431 3.334 50 0 GGAAHM COc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C(C)C)c(OC)c1OC ZINC000095478608 208196011 /nfs/dbraw/zinc/19/60/11/208196011.db2.gz QWCDJCUBAFECJA-INIZCTEOSA-N -1 3 393.465 3.207 50 0 GGAAHM CC(C)n1ccnc1[C@@H]1CCCN(C(=O)c2c[n-]c3c(F)cccc3c2=O)C1 ZINC000095499250 208201763 /nfs/dbraw/zinc/20/17/63/208201763.db2.gz PYEFRYBRMHMSID-CQSZACIVSA-N -1 3 382.439 3.464 50 0 GGAAHM Cc1nc(C)c(CN2CCC[C@@H](C[N-]S(=O)(=O)c3cccs3)C2)s1 ZINC000095518997 208217481 /nfs/dbraw/zinc/21/74/81/208217481.db2.gz FLENIBIDKTZMJA-AWEZNQCLSA-N -1 3 385.580 3.012 50 0 GGAAHM Cc1cc(C(=O)N2CCC(c3nccn3Cc3ccncc3)CC2)ccc1[O-] ZINC000095531102 208228888 /nfs/dbraw/zinc/22/88/88/208228888.db2.gz WCHFHIWTLBVSOI-UHFFFAOYSA-N -1 3 376.460 3.360 50 0 GGAAHM Cc1ccc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)c([O-])c1 ZINC000095531312 208229952 /nfs/dbraw/zinc/22/99/52/208229952.db2.gz PYBOPNQCGQBQOV-GOSISDBHSA-N -1 3 376.460 3.360 50 0 GGAAHM O=c1[n-]n(C2CCOCC2)c2c1[C@@H](c1cccc3cccnc31)SCC(=O)N2 ZINC000096117503 208263120 /nfs/dbraw/zinc/26/31/20/208263120.db2.gz KRJKOHPAFMCYNZ-GOSISDBHSA-N -1 3 396.472 3.263 50 0 GGAAHM CSc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCOCC2)cc1 ZINC000096118033 208263287 /nfs/dbraw/zinc/26/32/87/208263287.db2.gz XFJNMPMISDZMDG-INIZCTEOSA-N -1 3 391.518 3.437 50 0 GGAAHM O=c1[n-]n(C2CCOCC2)c2c1[C@H](c1cccc3cccnc31)SCC(=O)N2 ZINC000096117504 208264710 /nfs/dbraw/zinc/26/47/10/208264710.db2.gz KRJKOHPAFMCYNZ-SFHVURJKSA-N -1 3 396.472 3.263 50 0 GGAAHM COc1ccccc1[C@H]1SCC(=O)Nc2c1c(=O)[n-]n2C1CCSCC1 ZINC000096116659 208264873 /nfs/dbraw/zinc/26/48/73/208264873.db2.gz ZJWUSGPRCCTQHD-MRXNPFEDSA-N -1 3 391.518 3.440 50 0 GGAAHM O=C(Nc1cccc2n[n-]nc21)N(CCOc1ccccc1)C[C@H]1CCCO1 ZINC000096132757 208269288 /nfs/dbraw/zinc/26/92/88/208269288.db2.gz JSFIHUDITXETSM-MRXNPFEDSA-N -1 3 381.436 3.050 50 0 GGAAHM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2ccc(O)cc2)CCO1 ZINC000096223749 208289609 /nfs/dbraw/zinc/28/96/09/208289609.db2.gz ZXKOXSJVUAQRTE-BLLLJJGKSA-N -1 3 389.477 3.199 50 0 GGAAHM O=C(NCCCc1nc2ccccc2[nH]1)c1c[n-]c2c(Cl)cccc2c1=O ZINC000096232260 208290633 /nfs/dbraw/zinc/29/06/33/208290633.db2.gz WPYSYDRIBGDBBG-UHFFFAOYSA-N -1 3 380.835 3.420 50 0 GGAAHM Cn1c(CCCNC(=O)c2c[n-]c3ccc(Cl)cc3c2=O)nc2ccccc21 ZINC000096232604 208291881 /nfs/dbraw/zinc/29/18/81/208291881.db2.gz ZMIKWXDFCYSCQN-UHFFFAOYSA-N -1 3 394.862 3.431 50 0 GGAAHM Cn1c(CCCNC(=O)c2cnc3ccc(Cl)cc3c2[O-])nc2ccccc21 ZINC000096232604 208291884 /nfs/dbraw/zinc/29/18/84/208291884.db2.gz ZMIKWXDFCYSCQN-UHFFFAOYSA-N -1 3 394.862 3.431 50 0 GGAAHM Cc1ccc(N2C(=O)[C@H]3C(c4ccc(Br)cc4)=NOC3=C2[O-])c(C)c1 ZINC000101070746 208385481 /nfs/dbraw/zinc/38/54/81/208385481.db2.gz XLPDYEBAKGBEDZ-RDJZCZTQSA-N -1 3 399.244 3.358 50 0 GGAAHM O=C1[C@@H]2C(c3ccc(F)cc3)=NOC2=C([O-])N1c1cccc(C(F)(F)F)c1 ZINC000101180660 208388150 /nfs/dbraw/zinc/38/81/50/208388150.db2.gz LIJHUPDOOHISDH-HIFRSBDPSA-N -1 3 378.281 3.137 50 0 GGAAHM O=C(c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccccc3)c(=O)c1-2)c1ccccc1 ZINC000100058773 208371917 /nfs/dbraw/zinc/37/19/17/208371917.db2.gz LLBJGSNZMIRERE-CTNGQTDRSA-N -1 3 395.418 3.304 50 0 GGAAHM Cc1ccc2nc(N3C(=O)C(=C4C(=O)Nc5ccccc54)[N-]C3=S)sc2c1 ZINC000100587949 208375612 /nfs/dbraw/zinc/37/56/12/208375612.db2.gz MNDIFMWROHMXIZ-CCEZHUSRSA-N -1 3 392.465 3.189 50 0 GGAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccnc2)cc1 ZINC000229981518 209004196 /nfs/dbraw/zinc/00/41/96/209004196.db2.gz JSTGERLJWPAZMN-PWRODBHTSA-N -1 3 385.423 3.441 50 0 GGAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccncc2)cc1 ZINC000229992266 209004880 /nfs/dbraw/zinc/00/48/80/209004880.db2.gz YDZKQEDKBUHTJD-PWRODBHTSA-N -1 3 385.423 3.441 50 0 GGAAHM CO[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccsc1 ZINC000096103341 209008588 /nfs/dbraw/zinc/00/85/88/209008588.db2.gz XWFNAJHCVCMBSK-SECBINFHSA-N -1 3 382.326 3.238 50 0 GGAAHM COC(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2C1 ZINC000096096299 209010322 /nfs/dbraw/zinc/01/03/22/209010322.db2.gz ZMDASXQAXYHVPH-UHFFFAOYSA-N -1 3 378.425 3.059 50 0 GGAAHM COC(=O)C[C@H](c1ccc(OCC(C)C)c(OC)c1)c1oc(C)cc(=O)c1[O-] ZINC000096114747 209010442 /nfs/dbraw/zinc/01/04/42/209010442.db2.gz CWKLCPBVIPDDGW-OAHLLOKOSA-N -1 3 390.432 3.392 50 0 biogenic GGAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CC1(OC)C2CC3CC(C2)CC1C3 ZINC000096123895 209012292 /nfs/dbraw/zinc/01/22/92/209012292.db2.gz FLANNXYUPIOPRQ-UHFFFAOYSA-N -1 3 399.940 3.468 50 0 GGAAHM CO[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1cccc(F)c1 ZINC000096388562 209016416 /nfs/dbraw/zinc/01/64/16/209016416.db2.gz FSKNNDZPHZOGSZ-LLVKDONJSA-N -1 3 394.287 3.316 50 0 GGAAHM CN(CCC(=O)Nc1ccsc1C(=O)[O-])Cc1c[nH]nc1-c1ccccc1 ZINC000244778668 209024251 /nfs/dbraw/zinc/02/42/51/209024251.db2.gz PULYDBMEPADADM-UHFFFAOYSA-N -1 3 384.461 3.297 50 0 GGAAHM COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC)OC ZINC000096385013 209016099 /nfs/dbraw/zinc/01/60/99/209016099.db2.gz XNIQQOLXNUGFSE-MRXNPFEDSA-N -1 3 385.869 3.023 50 0 GGAAHM Cc1ccccc1COc1ccc([C@H]2CC(=O)Nc3nc(C)[n-]c(=O)c32)cc1 ZINC000017043548 221375754 /nfs/dbraw/zinc/37/57/54/221375754.db2.gz BOVIHHHCKZLKEP-GOSISDBHSA-N -1 3 375.428 3.440 50 0 GGAAHM CCC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(OC)cc3C)ccc21 ZINC000012180391 136199994 /nfs/dbraw/zinc/19/99/94/136199994.db2.gz XEUMNGMTCGVBTA-UHFFFAOYSA-N -1 3 388.489 3.494 50 0 GGAAHM Cc1nc([C@H]2CCCN(C(=O)Nc3cccc(-c4c[nH]cn4)c3)C2)cc(=O)[n-]1 ZINC000426641528 534503239 /nfs/dbraw/zinc/50/32/39/534503239.db2.gz ZPBBONSYWSHVOG-HNNXBMFYSA-N 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ZINC000005029675 564211583 /nfs/dbraw/zinc/21/15/83/564211583.db2.gz OYFXSDCXMKHAFY-OAHLLOKOSA-N -1 3 379.185 3.426 50 0 GGAAHM COc1ccc(C2=NO[C@@H](C(=O)Nc3cc(Br)ccc3[O-])C2)cc1 ZINC000005028949 564211675 /nfs/dbraw/zinc/21/16/75/564211675.db2.gz GHWRCTXXORKQLI-MRXNPFEDSA-N -1 3 391.221 3.295 50 0 GGAAHM CCOC(=O)c1sc([N-]C(=S)n2cc(C)cn2)c(C(=O)OCC)c1C ZINC000006492378 564224584 /nfs/dbraw/zinc/22/45/84/564224584.db2.gz SKTGXLHOBUJARO-UHFFFAOYSA-N -1 3 381.479 3.160 50 0 GGAAHM CC[C@@H](Sc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[n-]1)C(=O)OC ZINC000006531127 564225085 /nfs/dbraw/zinc/22/50/85/564225085.db2.gz AZLBASUWSQVRKL-GFCCVEGCSA-N -1 3 378.841 3.218 50 0 aggregator GGAAHM O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1ccc(OC(F)(F)F)cc1 ZINC000007052160 564230759 /nfs/dbraw/zinc/23/07/59/564230759.db2.gz ORFGAZZNEWYSCN-UHFFFAOYSA-N -1 3 375.324 3.157 50 0 GGAAHM O=C(Nc1cccc(Cl)c1Cl)[C@@H]1C=C([O-])NC(Nc2ccccc2)=N1 ZINC000009192440 564252934 /nfs/dbraw/zinc/25/29/34/564252934.db2.gz 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ZINC000005250722 570528687 /nfs/dbraw/zinc/52/86/87/570528687.db2.gz NZSKDMPXGBELCF-UHFFFAOYSA-N -1 3 394.518 3.034 50 0 GGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@](C)(c2cccc(OC(=O)c3ccccc3)c2)S1 ZINC000001210714 570535356 /nfs/dbraw/zinc/53/53/56/570535356.db2.gz TZXAQXQTPKMSFI-HXUWFJFHSA-N -1 3 397.456 3.081 50 0 GGAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@](C)(c2cccc(OC(=O)c3ccccc3)c2)S1 ZINC000001210712 570535396 /nfs/dbraw/zinc/53/53/96/570535396.db2.gz TZXAQXQTPKMSFI-FQEVSTJZSA-N -1 3 397.456 3.081 50 0 GGAAHM CCc1ccc(N2C[C@H](c3nnc([N-]C(=O)c4ccco4)s3)CC2=O)cc1 ZINC000008654692 570536425 /nfs/dbraw/zinc/53/64/25/570536425.db2.gz ZBIDWULIOONXAP-CYBMUJFWSA-N -1 3 382.445 3.466 50 0 GGAAHM COc1cc(C)c([N-]S(=O)(=O)c2ccc3oc(=O)n(C)c3c2)cc1C(C)C ZINC000008783517 570542003 /nfs/dbraw/zinc/54/20/03/570542003.db2.gz ZHOGXAQVKQGXTG-UHFFFAOYSA-N -1 3 390.461 3.373 50 0 GGAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)NCCc3cccc(F)c3)cc2O1 ZINC000006764197 570575988 /nfs/dbraw/zinc/57/59/88/570575988.db2.gz 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O=C(Cc1ccc([O-])c(Cl)c1)N(CCCn1ccnc1)Cc1ccncc1 ZINC000055326757 570691376 /nfs/dbraw/zinc/69/13/76/570691376.db2.gz PTGRAIWAIMXKFZ-UHFFFAOYSA-N -1 3 384.867 3.299 50 0 GGAAHM COc1ccc(F)cc1S(=O)(=O)[N-]C[C@H](O)c1ccc(-c2ccco2)cc1 ZINC000585147848 570742042 /nfs/dbraw/zinc/74/20/42/570742042.db2.gz CECXFLDFSOZXSL-INIZCTEOSA-N -1 3 391.420 3.106 50 0 GGAAHM CC(C)NC(=O)N([O-])[C@H]1N(Cc2ccc3c(c2)OCO3)C(=S)SC1(C)C ZINC000013115933 570746929 /nfs/dbraw/zinc/74/69/29/570746929.db2.gz IUFTXJCVBHPPLE-CQSZACIVSA-N -1 3 397.522 3.163 50 0 GGAAHM S=c1[n-]nc(Cn2c3ccccc3nc2-c2ccccn2)n1-c1cccnc1 ZINC000013683116 570773760 /nfs/dbraw/zinc/77/37/60/570773760.db2.gz WBJVXCKFZHIDML-UHFFFAOYSA-N -1 3 385.456 3.411 50 0 GGAAHM COc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3ccc([O-])cn3)CC2)c1 ZINC000067433088 570779409 /nfs/dbraw/zinc/77/94/09/570779409.db2.gz YYNSVLDIIJEPBG-UHFFFAOYSA-N -1 3 378.432 3.206 50 0 GGAAHM COc1ccc(Cc2ncc3c(n2)CN(C(=O)c2ccc(C)cc2[O-])C3)cc1 ZINC000067560298 570781657 /nfs/dbraw/zinc/78/16/57/570781657.db2.gz UUSDGPCJFQKKPX-UHFFFAOYSA-N -1 3 375.428 3.246 50 0 GGAAHM COc1cccc(-c2cn[nH]c2C2CCN(C(=O)c3ncccc3[O-])CC2)c1 ZINC000067834240 570793528 /nfs/dbraw/zinc/79/35/28/570793528.db2.gz WPBRHUKUNZEKED-UHFFFAOYSA-N -1 3 378.432 3.206 50 0 GGAAHM COc1ccc(C(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000005702548 570828188 /nfs/dbraw/zinc/82/81/88/570828188.db2.gz QUIQIEOUSVHMPB-UHFFFAOYSA-N -1 3 392.440 3.092 50 0 GGAAHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)NC1CCCC1 ZINC000007361655 570833939 /nfs/dbraw/zinc/83/39/39/570833939.db2.gz NDBSNVXYGCTWTN-UHFFFAOYSA-N -1 3 388.489 3.233 50 0 GGAAHM COc1ccccc1NC(=O)CSc1nnc([N-]C(=O)c2ccco2)s1 ZINC000007388744 570836603 /nfs/dbraw/zinc/83/66/03/570836603.db2.gz YXGRCTZMGUGOME-UHFFFAOYSA-N -1 3 390.446 3.123 50 0 GGAAHM N[C@H](Cc1ccco1)[C@@H](C(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000071613432 570841266 /nfs/dbraw/zinc/84/12/66/570841266.db2.gz GIQJFKYMKGCUNZ-RTWAWAEBSA-N -1 3 391.423 3.206 50 0 GGAAHM Cc1ccc(NC(=O)[C@@H]2C[C@H](C(=O)[O-])CN(C/C=C/c3ccccc3)C2)cn1 ZINC000071638911 570842021 /nfs/dbraw/zinc/84/20/21/570842021.db2.gz PMWNKWWAINLJID-UZCSHQTLSA-N -1 3 379.460 3.065 50 0 GGAAHM Cc1ccc(CNC(=O)C(=C([O-])c2ccc(F)cc2)n2ccccc2=O)cc1 ZINC000004698765 570843384 /nfs/dbraw/zinc/84/33/84/570843384.db2.gz YZLAHVDEMJJJSG-HXUWFJFHSA-N -1 3 378.403 3.036 50 0 GGAAHM Cc1nc(S(=O)(=O)[N-]Cc2ccc3[nH]c4c(c3c2)CCCCCC4)cn1C ZINC000071721434 570844001 /nfs/dbraw/zinc/84/40/01/570844001.db2.gz DFLNCQMMQJXDNS-UHFFFAOYSA-N -1 3 386.521 3.347 50 0 GGAAHM Cc1ccc(=O)n(C(C(=O)NCCc2ccccc2)=C([O-])c2ccc(F)cc2)c1 ZINC000004700454 570844100 /nfs/dbraw/zinc/84/41/00/570844100.db2.gz ZLYSUNCFDBNFIP-NRFANRHFSA-N -1 3 392.430 3.079 50 0 GGAAHM Cc1ccc(=O)n(C(C(=O)NCc2ccccc2)=C([O-])c2ccc(F)cc2)c1 ZINC000004699999 570844133 /nfs/dbraw/zinc/84/41/33/570844133.db2.gz MKLRIQAKHNMDHW-HXUWFJFHSA-N -1 3 378.403 3.036 50 0 GGAAHM COc1cc(-c2nccn2Cc2nc(-c3cccnc3)no2)cc(Cl)c1[O-] ZINC000071764235 570851024 /nfs/dbraw/zinc/85/10/24/570851024.db2.gz VLHGZIGWHTVSKW-UHFFFAOYSA-N -1 3 383.795 3.411 50 0 GGAAHM Cc1c(F)cccc1CN1C[C@@H](C(=O)[O-])C[C@H](C(=O)Nc2ccc(F)cc2)C1 ZINC000071777145 570853053 /nfs/dbraw/zinc/85/30/53/570853053.db2.gz BXSMJWKJTMIAAB-HOTGVXAUSA-N -1 3 388.414 3.435 50 0 GGAAHM O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)Nc1cccc(F)c1 ZINC000003343513 570859718 /nfs/dbraw/zinc/85/97/18/570859718.db2.gz AGPKFMXZHJGFSQ-UHFFFAOYSA-N -1 3 395.419 3.391 50 0 GGAAHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccncc1 ZINC000102733938 570859965 /nfs/dbraw/zinc/85/99/65/570859965.db2.gz GXCOQECPHALNOB-QHAWAJNXSA-N -1 3 385.423 3.441 50 0 GGAAHM Cc1oncc1S(=O)(=O)[N-][C@H]1CCCN(Cc2ccc(CC(C)C)cc2)C1 ZINC000072137222 570869504 /nfs/dbraw/zinc/86/95/04/570869504.db2.gz MNMFPWSLWVFRDX-IBGZPJMESA-N -1 3 391.537 3.124 50 0 GGAAHM Cc1nn2c([n-]1)nc(CN1CCC[C@@H](Nc3ccc(C(C)C)cc3)C1)cc2=O ZINC000072169867 570877533 /nfs/dbraw/zinc/87/75/33/570877533.db2.gz ZMEVHLAZOWSENL-GOSISDBHSA-N -1 3 380.496 3.338 50 0 GGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC(C)(C)C)c(C)c2)cc1 ZINC000002871714 570933773 /nfs/dbraw/zinc/93/37/73/570933773.db2.gz LUEPFHRTMDMYLP-UHFFFAOYSA-N -1 3 390.505 3.398 50 0 GGAAHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)NC1CCCC1 ZINC000002873195 570933786 /nfs/dbraw/zinc/93/37/86/570933786.db2.gz KAAWQXXZLJXOTC-UHFFFAOYSA-N -1 3 392.452 3.064 50 0 GGAAHM Cc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1 ZINC000106213413 570954825 /nfs/dbraw/zinc/95/48/25/570954825.db2.gz ZFRUHMKBOJVGGP-RLFYNMQTSA-N -1 3 378.350 3.099 50 0 GGAAHM Cc1nc([C@@H]2CCCN(C(=O)c3ccc4oc(C(C)C)nc4c3)C2)cc(=O)[n-]1 ZINC000095517877 571084786 /nfs/dbraw/zinc/08/47/86/571084786.db2.gz XMLICDPVPYMNFY-OAHLLOKOSA-N -1 3 380.448 3.363 50 0 GGAAHM COCCN(Cc1nccs1)Cc1ccc(-c2nc(C)c(C)c(=O)[n-]2)cc1 ZINC000055308871 1406926401 /nfs/dbraw/zinc/92/64/01/1406926401.db2.gz BNDBRBKHGISOKE-UHFFFAOYSA-N -1 3 384.505 3.159 50 0 GGAAHM Cc1c([O-])ccc2c(C)c(CCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)c(=O)oc12 ZINC000004073796 1398378313 /nfs/dbraw/zinc/37/83/13/1398378313.db2.gz BPXMFZBVPOADGH-HJPURHCSSA-N -1 3 399.487 3.202 50 0 biogenic GGAAHM Cc1cccc(NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccccc2)c1 ZINC000008828509 1398847190 /nfs/dbraw/zinc/84/71/90/1398847190.db2.gz GDFXPZAWJWREFY-UHFFFAOYSA-N -1 3 391.456 3.148 50 0 GGAAHM Cc1cccc(NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccccc2)c1 ZINC000008828509 1398847192 /nfs/dbraw/zinc/84/71/92/1398847192.db2.gz GDFXPZAWJWREFY-UHFFFAOYSA-N -1 3 391.456 3.148 50 0 GGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)C(C)C)CC3)cc1 ZINC000008977074 1398850648 /nfs/dbraw/zinc/85/06/48/1398850648.db2.gz YISXWUBETQCOFI-UHFFFAOYSA-N -1 3 388.489 3.037 50 0 GGAAHM Cc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OCCc3ccccc3)cc1)CC(=O)N2 ZINC000008972154 1398850800 /nfs/dbraw/zinc/85/08/00/1398850800.db2.gz VNSYQIREAZGTBU-GOSISDBHSA-N -1 3 375.428 3.174 50 0 GGAAHM Cc1c([O-])ccc2c(C)c(CC(=O)Nc3ccc4c(c3)OCCO4)c(=O)oc12 ZINC000009252603 1398855934 /nfs/dbraw/zinc/85/59/34/1398855934.db2.gz UBQUXODRCMEVAO-UHFFFAOYSA-N -1 3 381.384 3.068 50 0 GGAAHM CC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@H]1c1ccccc1Cl ZINC000009378583 1398857879 /nfs/dbraw/zinc/85/78/79/1398857879.db2.gz OBSHQLCHAYQOTF-SFHVURJKSA-N -1 3 391.880 3.409 50 0 GGAAHM COc1cc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc(OC)c1 ZINC000009621893 1398861513 /nfs/dbraw/zinc/86/15/13/1398861513.db2.gz FWVQNAOWKZTVSM-UHFFFAOYSA-N -1 3 394.456 3.418 50 0 GGAAHM Cc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(F)cc2)cc1 ZINC000012377913 1399040803 /nfs/dbraw/zinc/04/08/03/1399040803.db2.gz UJFNHMRKXGRELJ-RLFYNMQTSA-N -1 3 396.340 3.238 50 0 GGAAHM COc1c([O-])cc2oc(=O)c(Oc3ccc4ccc(=O)oc4c3)cc2c1OC ZINC000015149430 1399142928 /nfs/dbraw/zinc/14/29/28/1399142928.db2.gz UKSJYKPMAYMIRA-UHFFFAOYSA-N -1 3 382.324 3.415 50 0 biogenic GGAAHM CCN(Cc1cnn(CC)c1)Cc1cccc(-c2nc3c(c(=O)[n-]2)CCC3)c1 ZINC000023310640 1399549193 /nfs/dbraw/zinc/54/91/93/1399549193.db2.gz ALIAPBPWEFAXIT-UHFFFAOYSA-N -1 3 377.492 3.164 50 0 GGAAHM CN1CCN(C(=O)c2ccc(-c3ccc4c(ccc([O-])c4C=O)c3)s2)CC1 ZINC000043202385 1403729901 /nfs/dbraw/zinc/72/99/01/1403729901.db2.gz IVQVBMWPWPTSNO-UHFFFAOYSA-N -1 3 380.469 3.474 50 0 GGAAHM COc1cc([C@H]2CC(=O)Nc3c2c(=O)[n-]n3C2CCCC2)cc(OC)c1OC ZINC000071279202 1409823103 /nfs/dbraw/zinc/82/31/03/1409823103.db2.gz LJDXENXHDGHDIW-CYBMUJFWSA-N -1 3 387.436 3.441 50 0 GGAAHM O=C(Nc1cc(Cl)ccc1[O-])c1nnn(-c2ccc(C(F)(F)F)cc2)n1 ZINC000077100384 1409893519 /nfs/dbraw/zinc/89/35/19/1409893519.db2.gz GSAZYAFOVJDCCW-UHFFFAOYSA-N -1 3 383.717 3.292 50 0 GGAAHM CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(c1ccnc3c(C)cc(C)cc13)CC2 ZINC000082109561 1410026211 /nfs/dbraw/zinc/02/62/11/1410026211.db2.gz WDYKRBXWSVEFEV-IBGZPJMESA-N -1 3 381.476 3.144 50 0 GGAAHM Cc1cc2ccccc2n1CCNC(=O)N1CCC[C@H](c2cc(=O)[n-]cn2)C1 ZINC000426414646 231218495 /nfs/dbraw/zinc/21/84/95/231218495.db2.gz NAJXVSCGATVFES-KRWDZBQOSA-N -1 3 379.464 3.035 50 0 GGAAHM Cc1cc(=O)[n-]c(CCNC(=O)N(Cc2c(F)cccc2Cl)C2CC2)n1 ZINC000426521568 231234042 /nfs/dbraw/zinc/23/40/42/231234042.db2.gz XWRBXYRALSBFFE-UHFFFAOYSA-N -1 3 378.835 3.200 50 0 GGAAHM O=C(c1[n-]c(=O)nc2ccccc21)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000426535373 231236934 /nfs/dbraw/zinc/23/69/34/231236934.db2.gz AEPHLRCCSOUJJD-UHFFFAOYSA-N -1 3 383.835 3.113 50 0 GGAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccco1 ZINC000018218100 210218181 /nfs/dbraw/zinc/21/81/81/210218181.db2.gz CXIOBYOTIYUKFC-CEXWTWQISA-N -1 3 378.359 3.470 50 0 GGAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1cccnc1 ZINC000017952868 210212235 /nfs/dbraw/zinc/21/22/35/210212235.db2.gz CVCFJUHBGJCSBU-HSALFYBXSA-N -1 3 389.386 3.272 50 0 GGAAHM CCCn1nnc([N-]C(=O)c2ccc(-c3cccc(Br)c3)o2)n1 ZINC000017083839 210204108 /nfs/dbraw/zinc/20/41/08/210204108.db2.gz FLEZYYDVINEIFC-UHFFFAOYSA-N -1 3 376.214 3.358 50 0 GGAAHM Cc1cccc(COc2ccc([C@H]3CC(=O)Nc4nc(C)[n-]c(=O)c43)cc2)c1 ZINC000017029147 210201719 /nfs/dbraw/zinc/20/17/19/210201719.db2.gz XQIWUUKPLDBPFG-GOSISDBHSA-N -1 3 375.428 3.440 50 0 GGAAHM Cc1cccc(COc2ccc([C@@H]3CC(=O)Nc4nc(C)[n-]c(=O)c43)cc2)c1 ZINC000017029146 210201800 /nfs/dbraw/zinc/20/18/00/210201800.db2.gz XQIWUUKPLDBPFG-SFHVURJKSA-N -1 3 375.428 3.440 50 0 GGAAHM CN1CC[C@@]2(C1)CCCN(C(=O)c1ccc(-c3ccc(C(=O)[O-])cn3)cc1)C2 ZINC000426406309 529800971 /nfs/dbraw/zinc/80/09/71/529800971.db2.gz PXDGFDGXPLOQNF-JOCHJYFZSA-N -1 3 379.460 3.005 50 0 GGAAHM O=C([N-]c1nnc(S(=O)(=O)Cc2ccccc2F)s1)c1ccccc1F ZINC000017056563 210200976 /nfs/dbraw/zinc/20/09/76/210200976.db2.gz ISLKIUDJQTVDNZ-UHFFFAOYSA-N -1 3 395.412 3.043 50 0 GGAAHM CN1CC[C@]2(C1)CCCN(C(=O)c1ccc(-c3ccc(C(=O)[O-])cn3)cc1)C2 ZINC000426406310 529810264 /nfs/dbraw/zinc/81/02/64/529810264.db2.gz PXDGFDGXPLOQNF-QFIPXVFZSA-N -1 3 379.460 3.005 50 0 GGAAHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cccnc1 ZINC000016661366 210192395 /nfs/dbraw/zinc/19/23/95/210192395.db2.gz MSTIRZIBWSHMMI-UHFFFAOYSA-N -1 3 385.283 3.111 50 0 GGAAHM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccccn1 ZINC000016650481 210192453 /nfs/dbraw/zinc/19/24/53/210192453.db2.gz DVSQXWBLVKEARG-UHFFFAOYSA-N -1 3 385.283 3.111 50 0 GGAAHM Cc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4ccc([O-])cc4)C3)C2=O)c1 ZINC000015062724 210145814 /nfs/dbraw/zinc/14/58/14/210145814.db2.gz BEWYTLVRGMTOML-QHCPKHFHSA-N -1 3 378.472 3.356 50 0 GGAAHM COc1ccc([C@@H]2c3c(=O)[n-]c(C)nc3Oc3c4ccccc4oc(=O)c32)cc1 ZINC000013657808 210076710 /nfs/dbraw/zinc/07/67/10/210076710.db2.gz JTAQFGRGCRQDJT-INIZCTEOSA-N -1 3 388.379 3.479 50 0 GGAAHM COc1ccc([C@H]2c3c(=O)[n-]c(C)nc3Oc3c4ccccc4oc(=O)c32)cc1 ZINC000013657810 210076084 /nfs/dbraw/zinc/07/60/84/210076084.db2.gz JTAQFGRGCRQDJT-MRXNPFEDSA-N -1 3 388.379 3.479 50 0 GGAAHM COc1cccc(NC(=N)Nc2nc(CSc3ccccn3)cc(=O)[n-]2)c1 ZINC000009015821 209810258 /nfs/dbraw/zinc/81/02/58/209810258.db2.gz SNHFBKIAFQMJCQ-UHFFFAOYSA-N -1 3 382.449 3.337 50 0 GGAAHM Cc1ccc(Nc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)nn1 ZINC000035597978 209778097 /nfs/dbraw/zinc/77/80/97/209778097.db2.gz MNZIASNBWSMABL-UHFFFAOYSA-N -1 3 398.444 3.101 50 0 GGAAHM CCOC(=O)c1c([N-]C(=O)c2nn3cccnc3c2Cl)sc2c1CCC2 ZINC000002791077 209385651 /nfs/dbraw/zinc/38/56/51/209385651.db2.gz MLVSGXPAHNKBEP-UHFFFAOYSA-N -1 3 390.852 3.362 50 0 GGAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCC3)cc2)cc1 ZINC000002872370 209394273 /nfs/dbraw/zinc/39/42/73/209394273.db2.gz MPQAYACFUMOPEL-UHFFFAOYSA-N -1 3 388.489 3.233 50 0 GGAAHM COc1cc(C(=S)N2CCN(c3ccc(F)cc3)CC2)cc(OC)c1[O-] ZINC000002856021 209391935 /nfs/dbraw/zinc/39/19/35/209391935.db2.gz CHDIEBLOYBADCE-UHFFFAOYSA-N -1 3 376.453 3.046 50 0 GGAAHM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(OCC(=O)OC)c(C)c1 ZINC000002855394 209391706 /nfs/dbraw/zinc/39/17/06/209391706.db2.gz KOPUIPSBKICQBX-UHFFFAOYSA-N -1 3 391.489 3.472 50 0 GGAAHM Cc1nn(Cc2n[n-]c(=S)n2-c2cnn(Cc3ccc(C)cc3)c2)cc1Cl ZINC000002809620 209387697 /nfs/dbraw/zinc/38/76/97/209387697.db2.gz DSZUTQSRPAFMPC-UHFFFAOYSA-N -1 3 399.911 3.316 50 0 GGAAHM Cc1ccc(-n2ncc3c2nc(SCC(=O)Nc2nccs2)[n-]c3=O)cc1 ZINC000002717935 209380122 /nfs/dbraw/zinc/38/01/22/209380122.db2.gz PJHWHQQRLBVCPS-UHFFFAOYSA-N -1 3 398.473 3.017 50 0 GGAAHM CCOC(=O)C(Sc1nn(CCOc2ccccc2)c(=S)s1)=C(C)[O-] ZINC000002422056 209362557 /nfs/dbraw/zinc/36/25/57/209362557.db2.gz FQTGXIKEKOKLEM-ZDUSSCGKSA-N -1 3 398.531 3.366 50 0 GGAAHM COP(=O)(OC)[C@@H]([N-]S(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl ZINC000002310426 209356280 /nfs/dbraw/zinc/35/62/80/209356280.db2.gz ZRJQPLJJBIFPLE-SECBINFHSA-N -1 3 396.616 3.147 50 0 GGAAHM COC(=O)[C@@]([O-])(c1ccc(NC(=O)Oc2ccccc2)c(OC)c1)C(F)(F)F ZINC000002274128 209353564 /nfs/dbraw/zinc/35/35/64/209353564.db2.gz JHDMKHOPCAUVLU-KRWDZBQOSA-N -1 3 399.321 3.229 50 0 GGAAHM Cc1ccc([N-]S(=O)(=O)c2c(C)cc(C)c(N(C)S(C)(=O)=O)c2C)cc1 ZINC000010233945 209323166 /nfs/dbraw/zinc/32/31/66/209323166.db2.gz ALRWHZAYGLXRKG-UHFFFAOYSA-N -1 3 396.534 3.117 50 0 GGAAHM Cc1csc2nc([O-])c(C(=O)NC(c3ccccc3)c3ccccc3)c(=O)n12 ZINC000010166713 209321016 /nfs/dbraw/zinc/32/10/16/209321016.db2.gz OLCZEBUTQOCMKC-UHFFFAOYSA-N -1 3 391.452 3.289 50 0 GGAAHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3CC)cc1C ZINC000010063738 209320893 /nfs/dbraw/zinc/32/08/93/209320893.db2.gz HVFMKHXCZJWLFL-UHFFFAOYSA-N -1 3 388.489 3.494 50 0 GGAAHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000001145438 209306469 /nfs/dbraw/zinc/30/64/69/209306469.db2.gz QHQLCMSZISAPTD-UHFFFAOYSA-N -1 3 376.297 3.040 50 0 GGAAHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCC3)cc2)c1 ZINC000001072754 209296802 /nfs/dbraw/zinc/29/68/02/209296802.db2.gz IFKUUJRMOQVXJN-UHFFFAOYSA-N -1 3 388.489 3.105 50 0 GGAAHM Cc1cc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)ccc1Br ZINC000001063689 209295599 /nfs/dbraw/zinc/29/55/99/209295599.db2.gz SZVDHWIHEAPLAS-UHFFFAOYSA-N -1 3 383.267 3.381 50 0 GGAAHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]Cc1ccc(Cl)cc1Cl ZINC000001029242 209290454 /nfs/dbraw/zinc/29/04/54/209290454.db2.gz FFOHXSUCKRFHFC-UHFFFAOYSA-N -1 3 392.260 3.468 50 0 GGAAHM Cc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1 ZINC000001009637 209288327 /nfs/dbraw/zinc/28/83/27/209288327.db2.gz ZFRUHMKBOJVGGP-VKJFTORMSA-N -1 3 378.350 3.099 50 0 GGAAHM CCOC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000000982874 209286573 /nfs/dbraw/zinc/28/65/73/209286573.db2.gz XIYPQXHJTZCZAM-UHFFFAOYSA-N -1 3 383.853 3.391 50 0 GGAAHM Cc1cc(C)nc(-n2nc3[n-]cc4c(c-3c2=O)C[C@H](c2ccccc2)CC4=O)n1 ZINC000009484481 209274893 /nfs/dbraw/zinc/27/48/93/209274893.db2.gz DGAQRCOETXBECS-HNNXBMFYSA-N -1 3 385.427 3.033 50 0 GGAAHM CC1=NN(C(=O)c2cccc([O-])c2)[C@@](O)(c2ccc(Br)cc2)C1 ZINC000000845813 209271439 /nfs/dbraw/zinc/27/14/39/209271439.db2.gz WJGXTLJXRYQNPG-KRWDZBQOSA-N -1 3 375.222 3.222 50 0 GGAAHM C[C@H](NC(=O)C(=C([O-])c1ccc(F)cc1)n1ccccc1=O)c1ccccc1 ZINC000000819474 209269599 /nfs/dbraw/zinc/26/95/99/209269599.db2.gz HNMJDWULAQKQDS-YWZLYKJASA-N -1 3 378.403 3.289 50 0 GGAAHM C[C@H](NC(=O)C(=C([O-])c1ccc(F)cc1)n1ccccc1=O)c1ccccc1 ZINC000000819472 209269188 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378.472 3.251 50 0 GGAAHM O=C(c1cccc([O-])c1)N1CCC2(CC(=O)N(CCCc3ccccc3)C2)CC1 ZINC000095371440 211227235 /nfs/dbraw/zinc/22/72/35/211227235.db2.gz SVYNUORGMMRSJL-UHFFFAOYSA-N -1 3 392.499 3.480 50 0 GGAAHM Cc1noc(C)c1CN1C[C@H]2CC[C@H](CN2C(=O)c2cc(Cl)ccc2[O-])C1 ZINC000095362550 211225586 /nfs/dbraw/zinc/22/55/86/211225586.db2.gz IDHAQCYTWCHWAL-GOEBONIOSA-N -1 3 389.883 3.387 50 0 GGAAHM COc1ccc([C@@H](C(=O)[O-])N2CCCN(Cc3ccncc3)CC2)cc1Cl ZINC000095364477 211225442 /nfs/dbraw/zinc/22/54/42/211225442.db2.gz HOEYEXMNELEOHZ-IBGZPJMESA-N -1 3 389.883 3.077 50 0 GGAAHM COc1ccc([C@H](C(=O)[O-])N2CCCN(Cc3ccncc3)CC2)cc1Cl ZINC000095364478 211224793 /nfs/dbraw/zinc/22/47/93/211224793.db2.gz HOEYEXMNELEOHZ-LJQANCHMSA-N -1 3 389.883 3.077 50 0 GGAAHM C[C@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000091781825 211206487 /nfs/dbraw/zinc/20/64/87/211206487.db2.gz NKMGMCWHKMSCJH-OAQYLSRUSA-N -1 3 378.432 3.172 50 0 GGAAHM COc1ccccc1CN(Cc1ccccc1C)C(=O)c1cnc(C)[n-]c1=O ZINC000091321568 211190993 /nfs/dbraw/zinc/19/09/93/211190993.db2.gz OUUMKYPHLDLBPL-UHFFFAOYSA-N -1 3 377.444 3.238 50 0 GGAAHM CC(=O)Nc1ccc(CN2CCC(Oc3ccccc3C)(C(=O)[O-])CC2)cc1 ZINC000082116339 211161585 /nfs/dbraw/zinc/16/15/85/211161585.db2.gz LSAUVOQFBDYQLD-UHFFFAOYSA-N -1 3 382.460 3.452 50 0 GGAAHM Cc1cc(C(=O)N2CCC[C@H](c3cc(=O)[n-]c(C)n3)C2)c2cccc(C)c2n1 ZINC000082125420 211162720 /nfs/dbraw/zinc/16/27/20/211162720.db2.gz QJSSFWHJPVXRMF-INIZCTEOSA-N -1 3 376.460 3.263 50 0 GGAAHM O=C(c1ccccc1[O-])N1CCC2(CN(CCc3ccccc3)C(=O)O2)CC1 ZINC000077322840 211130746 /nfs/dbraw/zinc/13/07/46/211130746.db2.gz WCARDQAEDBQMAE-UHFFFAOYSA-N -1 3 380.444 3.062 50 0 GGAAHM CC[C@H](Oc1ccccc1)C(=O)N1CCc2c(nc(-c3ccccc3)[n-]c2=O)C1 ZINC000072167620 211079258 /nfs/dbraw/zinc/07/92/58/211079258.db2.gz GVXQMKVEYPYQGR-FQEVSTJZSA-N -1 3 389.455 3.179 50 0 GGAAHM Cc1nn2c([n-]1)nc(CN1CCC[C@H](CCc3c(F)cccc3F)C1)cc2=O ZINC000072138682 211073870 /nfs/dbraw/zinc/07/38/70/211073870.db2.gz LFCMXWSBOSMBGB-CQSZACIVSA-N -1 3 387.434 3.261 50 0 GGAAHM CC(C)[C@H]1CN(C(=O)CCc2cc(=O)[n-]o2)CCCN1Cc1ccc(F)cc1 ZINC000071764629 211060533 /nfs/dbraw/zinc/06/05/33/211060533.db2.gz APKLLLVLNCIWBV-LJQANCHMSA-N -1 3 389.471 3.211 50 0 GGAAHM O=C(c1cnc[n-]c1=O)N1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071736154 211051926 /nfs/dbraw/zinc/05/19/26/211051926.db2.gz FSWKWWXHZRINPK-CYBMUJFWSA-N -1 3 379.382 3.274 50 0 GGAAHM CC[C@H]1CN(C(=O)c2ccc([O-])c(OC)c2)CCC(=O)N1Cc1ccccc1 ZINC000071750284 211056001 /nfs/dbraw/zinc/05/60/01/211056001.db2.gz FBCZVPCPVGMIDZ-SFHVURJKSA-N -1 3 382.460 3.054 50 0 GGAAHM CC(C)[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)CCC(=O)N1CC1CC1 ZINC000071730224 211051075 /nfs/dbraw/zinc/05/10/75/211051075.db2.gz HQLIYDBENKQAGC-IBGZPJMESA-N -1 3 381.476 3.050 50 0 GGAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)C[C@@]21c2cc(Cl)ccc2N(C(C)C)C1=O ZINC000071280049 211043001 /nfs/dbraw/zinc/04/30/01/211043001.db2.gz DRQXURXAFFGSSB-LJQANCHMSA-N -1 3 388.855 3.444 50 0 GGAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)C[C@]21c2cc(Cl)ccc2N(C(C)C)C1=O 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386.521 3.298 50 0 GGAAHM COc1cccc(N2CCN([C@H](C(=O)[O-])c3c(C)[nH]c4ccccc43)CC2)c1 ZINC000020745478 210361619 /nfs/dbraw/zinc/36/16/19/210361619.db2.gz MDBYFUKOTYDTPD-NRFANRHFSA-N -1 3 379.460 3.433 50 0 GGAAHM [O-]c1ccc(Cl)cc1C1N=NC(=S)N1c1ccc(Cn2cncn2)cc1 ZINC000020731103 210359880 /nfs/dbraw/zinc/35/98/80/210359880.db2.gz JUDGLPRIPYSYQW-UHFFFAOYSA-N -1 3 384.852 3.222 50 0 GGAAHM COc1cccc2c([C@@H](C(=O)[O-])N3CCN(c4ccc(F)cc4)CC3)c[nH]c21 ZINC000020745131 210359502 /nfs/dbraw/zinc/35/95/02/210359502.db2.gz XLHRLFYMBHVYFU-FQEVSTJZSA-N -1 3 383.423 3.264 50 0 GGAAHM COc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(c4cccc(OC)c4)CC3)c2c1 ZINC000020727394 210357568 /nfs/dbraw/zinc/35/75/68/210357568.db2.gz MQBPZSLZLQJEOY-NRFANRHFSA-N -1 3 395.459 3.133 50 0 GGAAHM COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(Cc4ccccc4)CC3)c2c1 ZINC000020714267 210355461 /nfs/dbraw/zinc/35/54/61/210355461.db2.gz ACOCEQJNFCPYIN-OAQYLSRUSA-N -1 3 379.460 3.120 50 0 GGAAHM CN1CCN([C@@H](C(=O)[O-])c2c[nH]c3cc(OCc4ccccc4)ccc32)CC1 ZINC000020713757 210354941 /nfs/dbraw/zinc/35/49/41/210354941.db2.gz MPETUCCUWLTHTF-OAQYLSRUSA-N -1 3 379.460 3.120 50 0 GGAAHM Cc1ccc(NC(=O)CSc2nc3c(nc[n-]c3=O)n2-c2ccccc2)cc1 ZINC000020367738 210329124 /nfs/dbraw/zinc/32/91/24/210329124.db2.gz IEUPSSLOIYTAHD-UHFFFAOYSA-N -1 3 391.456 3.148 50 0 GGAAHM O=C(C[C@@H](c1ccccc1)c1cc(Cl)ccc1[O-])NCCN1CCOCC1 ZINC000020001429 210310926 /nfs/dbraw/zinc/31/09/26/210310926.db2.gz PRQIPHCPPAMKFP-SFHVURJKSA-N -1 3 388.895 3.016 50 0 GGAAHM CC(C)CCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1ccccc1)C3 ZINC000019821089 210300909 /nfs/dbraw/zinc/30/09/09/210300909.db2.gz SHFXRFBGPYWLAV-OAHLLOKOSA-N -1 3 377.444 3.044 50 0 GGAAHM COC[C@@H]1CCCN(C(=O)c2cccc(-c3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000426492770 533363650 /nfs/dbraw/zinc/36/36/50/533363650.db2.gz HSCASIFCYJNNNM-OAHLLOKOSA-N -1 3 377.448 3.032 50 0 GGAAHM COC[C@@H]1CCCN(C(=O)c2cccc(-c3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000426492770 533363653 /nfs/dbraw/zinc/36/36/53/533363653.db2.gz HSCASIFCYJNNNM-OAHLLOKOSA-N -1 3 377.448 3.032 50 0 GGAAHM Cc1nc(N2CCCCC2)ncc1-c1cc(=O)[n-]c(NCc2ccccc2)n1 ZINC000039383648 132390895 /nfs/dbraw/zinc/39/08/95/132390895.db2.gz MICHBLMDTJTOEV-UHFFFAOYSA-N -1 3 376.464 3.138 50 0 GGAAHM Cc1cccc(Cc2c(C)nc(N3CCN(Cc4ccccc4)CC3)[n-]c2=O)c1 ZINC000054253840 132441982 /nfs/dbraw/zinc/44/19/82/132441982.db2.gz PKRMPWCHYMOMRV-UHFFFAOYSA-N -1 3 388.515 3.300 50 0 GGAAHM Cc1nc([C@@H]2CCCN(C(=O)Nc3cccc(-c4c[nH]cn4)c3)C2)cc(=O)[n-]1 ZINC000426641530 534502260 /nfs/dbraw/zinc/50/22/60/534502260.db2.gz ZPBBONSYWSHVOG-OAHLLOKOSA-N -1 3 378.436 3.292 50 0 GGAAHM O=C(c1ccc(-c2ccc([O-])cc2F)cc1)N1CCN(C2CCCC2)C(=O)C1 ZINC000426394749 534679280 /nfs/dbraw/zinc/67/92/80/534679280.db2.gz VNLLJGKYFLZWTB-UHFFFAOYSA-N -1 3 382.435 3.425 50 0 GGAAHM CCOc1cc2c(cc1CN1CCC[C@H](c3ccnn3CC(=O)[O-])C1)CCC2 ZINC000426441696 528338129 /nfs/dbraw/zinc/33/81/29/528338129.db2.gz CSRPFKZMSXJSFT-SFHVURJKSA-N -1 3 383.492 3.235 50 0 GGAAHM N[C@H](C(=O)[O-])[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000004577479 560198716 /nfs/dbraw/zinc/19/87/16/560198716.db2.gz GZLRNTMXOXBIRR-FCHUYYIVSA-N -1 3 393.439 3.290 50 0 biogenic,in-vitro GGAAHM N[C@@H](C(=O)[O-])[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000004577485 560198726 /nfs/dbraw/zinc/19/87/26/560198726.db2.gz GZLRNTMXOXBIRR-FGZHOGPDSA-N -1 3 393.439 3.290 50 0 biogenic,in-vitro GGAAHM Cc1ccc(-n2c(SCc3cn4ccccc4n3)nc3c2nc[n-]c3=O)cc1 ZINC000012462163 560212188 /nfs/dbraw/zinc/21/21/88/560212188.db2.gz PFQUFHPKSRIFKW-UHFFFAOYSA-N -1 3 388.456 3.357 50 0 biogenic,in-vitro GGAAHM COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccccc1[O-] ZINC000001180872 564184203 /nfs/dbraw/zinc/18/42/03/564184203.db2.gz NDVSTDFPXORLOT-UHFFFAOYSA-N -1 3 381.251 3.290 50 0 GGAAHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1F ZINC000002876573 564191726 /nfs/dbraw/zinc/19/17/26/564191726.db2.gz GLMRZRNRHPPOKS-VIFPVBQESA-N -1 3 391.251 3.438 50 0 GGAAHM O=S(=O)(c1ccccc1)N1NC(C2CCCCC2)=C[C@@]1([O-])C(F)(F)F ZINC000004199227 564201287 /nfs/dbraw/zinc/20/12/87/564201287.db2.gz ZORCUXUIBSLCPX-OAHLLOKOSA-N -1 3 376.400 3.268 50 0 GGAAHM O=C(C[C@H](c1ccccc1)c1cc(Br)ccc1[O-])N1CCNCC1 ZINC000004178468 564201351 /nfs/dbraw/zinc/20/13/51/564201351.db2.gz WRUQAGHWILNPLR-MRXNPFEDSA-N -1 3 389.293 3.109 50 0 GGAAHM CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c([O-])c(OC)c2)C1=O ZINC000004472136 564203360 /nfs/dbraw/zinc/20/33/60/564203360.db2.gz KAYQHVXSMKKGDP-OTIXFSKASA-N -1 3 385.825 3.042 50 0 GGAAHM Cc1cc(OCC(=O)[N-]C(=S)Nc2nccs2)ccc1Br ZINC000004698876 564205312 /nfs/dbraw/zinc/20/53/12/564205312.db2.gz OPUYTVKPOQCAAK-UHFFFAOYSA-N -1 3 386.296 3.106 50 0 GGAAHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1 ZINC000004817933 564207118 /nfs/dbraw/zinc/20/71/18/564207118.db2.gz LSBLUSLWBMHHRT-UHFFFAOYSA-N -1 3 376.459 3.012 50 0 GGAAHM COc1ccccc1CN1C(=S)SC(C)(C)[C@H]1N([O-])C(=O)NC(C)C ZINC000004784653 564207246 /nfs/dbraw/zinc/20/72/46/564207246.db2.gz PFSJOAFITGXTBL-CQSZACIVSA-N -1 3 383.539 3.443 50 0 GGAAHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCSCc2ccccc2Cl)cc1 ZINC000004809145 564207398 /nfs/dbraw/zinc/20/73/98/564207398.db2.gz XYUJLUAHCAZWJB-UHFFFAOYSA-N -1 3 398.937 3.375 50 0 GGAAHM COc1cc(CN2C[C@H](C)C[C@H](C)C2)cc(I)c1[O-] ZINC000004988607 564210638 /nfs/dbraw/zinc/21/06/38/564210638.db2.gz URBSGCAVGSCUOX-PHIMTYICSA-N -1 3 375.250 3.483 50 0 GGAAHM COc1cccc(C2=NO[C@@H](C(=O)Nc3cc(Br)ccc3[O-])C2)c1 ZINC000005029338 564211522 /nfs/dbraw/zinc/21/15/22/564211522.db2.gz IRTSIHWCTZUXSZ-MRXNPFEDSA-N -1 3 391.221 3.295 50 0 GGAAHM CS(=O)(=O)c1ccc(-c2nnc([N-]C(=O)c3ccc(Cl)s3)o2)cc1 ZINC000005240604 564214575 /nfs/dbraw/zinc/21/45/75/564214575.db2.gz ZZNQINFGEUUYKC-UHFFFAOYSA-N -1 3 383.838 3.107 50 0 GGAAHM Cn1nnnc1S[C@H](C(=O)Nc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000005748931 564218842 /nfs/dbraw/zinc/21/88/42/564218842.db2.gz RBPKNJVQHQGQEL-AWEZNQCLSA-N -1 3 375.841 3.041 50 0 GGAAHM O=C(Nc1cc(Br)ccc1[O-])[C@H]1CC(c2ccccc2F)=NO1 ZINC000006738405 564226968 /nfs/dbraw/zinc/22/69/68/564226968.db2.gz BLYKIPBOYQAKFP-OAHLLOKOSA-N -1 3 379.185 3.426 50 0 GGAAHM O=C(CSc1nnc([N-]C(=O)c2ccco2)s1)Nc1cccc(F)c1 ZINC000007388730 564236247 /nfs/dbraw/zinc/23/62/47/564236247.db2.gz LBZGPEASBGJRIL-UHFFFAOYSA-N -1 3 378.410 3.253 50 0 GGAAHM COc1cc(S(=O)(=O)[N-]CC2=CCCCC2)c(OC)cc1Br ZINC000019942790 564304007 /nfs/dbraw/zinc/30/40/07/564304007.db2.gz VXLQNMNNNUJTAC-UHFFFAOYSA-N -1 3 390.299 3.245 50 0 GGAAHM O=S(=O)([N-]CCOc1ccc2c(c1)OCO2)c1cccc(Cl)c1Cl ZINC000023143689 564322372 /nfs/dbraw/zinc/32/23/72/564322372.db2.gz WMAMVPMJYJVOBC-UHFFFAOYSA-N -1 3 390.244 3.079 50 0 GGAAHM O=S(=O)([N-]c1cc(F)ccc1I)c1ccccc1 ZINC000035323286 564415159 /nfs/dbraw/zinc/41/51/59/564415159.db2.gz UWLCAMSHFCATMG-UHFFFAOYSA-N -1 3 377.178 3.231 50 0 GGAAHM Cc1sc2[nH]c(CSCC(=O)Nc3ccccc3[O-])nc(=O)c2c1C ZINC000036359052 564417708 /nfs/dbraw/zinc/41/77/08/564417708.db2.gz AGZGIOQHONWUTB-UHFFFAOYSA-N -1 3 375.475 3.179 50 0 GGAAHM COC(=O)N1CCC(C[N-]S(=O)(=O)c2cc(C)c(Cl)cc2Cl)CC1 ZINC000043956969 564463037 /nfs/dbraw/zinc/46/30/37/564463037.db2.gz GWRHMUKOCPWCIL-UHFFFAOYSA-N -1 3 395.308 3.059 50 0 GGAAHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]CCc1ccc(Cl)cc1 ZINC000044894032 564475368 /nfs/dbraw/zinc/47/53/68/564475368.db2.gz NTNRQKYFZVXYNX-UHFFFAOYSA-N -1 3 394.301 3.363 50 0 GGAAHM Cc1csc(C(=O)[N-]c2nnc(SCC(=O)Nc3cc(C)on3)s2)c1 ZINC000070635015 564849412 /nfs/dbraw/zinc/84/94/12/564849412.db2.gz CAHQWVBURLCZDM-UHFFFAOYSA-N -1 3 395.491 3.188 50 0 GGAAHM O=S(=O)([N-]C[C@](O)(c1ccccc1)C(F)(F)F)c1ccccc1Cl ZINC000070762665 564851338 /nfs/dbraw/zinc/85/13/38/564851338.db2.gz LFKHGFKEZNRHHX-AWEZNQCLSA-N -1 3 379.787 3.068 50 0 GGAAHM Cc1cccc(CS(=O)(=O)[N-]CC(O)(c2cccs2)c2cccs2)c1 ZINC000090617346 564870520 /nfs/dbraw/zinc/87/05/20/564870520.db2.gz ZVXJTLSUKZCGFX-UHFFFAOYSA-N -1 3 393.555 3.474 50 0 GGAAHM COC(=O)c1sccc1S(=O)(=O)[N-]CCc1ccc(-c2ccoc2)s1 ZINC000390832388 565558594 /nfs/dbraw/zinc/55/85/94/565558594.db2.gz ZEIXOPUWWSFOQQ-UHFFFAOYSA-N -1 3 397.499 3.377 50 0 GGAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@H](CCO)c1ccccc1 ZINC000206627659 565895159 /nfs/dbraw/zinc/89/51/59/565895159.db2.gz XHUQZEBEVSRAKU-OAHLLOKOSA-N -1 3 383.897 3.183 50 0 GGAAHM Cc1cc2n(CC[N-]S(=O)(=O)c3cc(C)c(Cl)cc3Cl)ccn2n1 ZINC000225580138 565914440 /nfs/dbraw/zinc/91/44/40/565914440.db2.gz DMYYZVJBUMOOAE-UHFFFAOYSA-N -1 3 387.292 3.038 50 0 GGAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)Cc1ccc2c(c1)CCO2 ZINC000225602619 565914785 /nfs/dbraw/zinc/91/47/85/565914785.db2.gz WCDBYVCPEIRGLI-GFCCVEGCSA-N -1 3 381.881 3.193 50 0 GGAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)Cc1ccc2c(c1)CCO2 ZINC000225602654 565915122 /nfs/dbraw/zinc/91/51/22/565915122.db2.gz WCDBYVCPEIRGLI-LBPRGKRZSA-N -1 3 381.881 3.193 50 0 GGAAHM O=S(=O)([N-]Cc1ccc(-c2ccsc2)o1)c1cccc2nsnc21 ZINC000575609864 566275707 /nfs/dbraw/zinc/27/57/07/566275707.db2.gz ITXYGJBRGIRXQV-UHFFFAOYSA-N -1 3 377.472 3.491 50 0 GGAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@H](CCO)c1cccs1 ZINC000575608340 566275813 /nfs/dbraw/zinc/27/58/13/566275813.db2.gz STVJAFVBODBSDI-GFCCVEGCSA-N -1 3 389.926 3.245 50 0 GGAAHM O=S(=O)(Cc1ccccc1Cl)[N-]Cc1nccnc1-c1cccs1 ZINC000575619286 566277791 /nfs/dbraw/zinc/27/77/91/566277791.db2.gz CGVSWULKOZHMGF-UHFFFAOYSA-N -1 3 379.894 3.478 50 0 GGAAHM O=S(=O)([N-]C[C@H](c1ccco1)n1cccn1)c1cc(Cl)ccc1Cl ZINC000575612883 566277881 /nfs/dbraw/zinc/27/78/81/566277881.db2.gz CVCPCYTWIGDRFN-CYBMUJFWSA-N -1 3 386.260 3.351 50 0 GGAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](c1ccsc1)n1cccn1 ZINC000575614220 566277944 /nfs/dbraw/zinc/27/79/44/566277944.db2.gz PTGYXJCLYOILHV-AWEZNQCLSA-N -1 3 397.909 3.175 50 0 GGAAHM CC(C)Cc1cc(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)on1 ZINC000670434637 566361623 /nfs/dbraw/zinc/36/16/23/566361623.db2.gz HNMISDOWGJKQQF-UHFFFAOYSA-N -1 3 378.372 3.250 50 0 GGAAHM Cc1nc(C[N-]S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)o2)cs1 ZINC000670457286 566362903 /nfs/dbraw/zinc/36/29/03/566362903.db2.gz XIWMPNDOKYKBBS-UHFFFAOYSA-N -1 3 393.368 3.197 50 0 GGAAHM COc1cc(CN2CCN(Cc3ccc(C)o3)[C@H](CCO)C2)cc(Cl)c1[O-] ZINC000104335242 570257059 /nfs/dbraw/zinc/25/70/59/570257059.db2.gz FBHWRLLSKBSZRN-MRXNPFEDSA-N -1 3 394.899 3.024 50 0 GGAAHM CCOc1nn(CC)cc1C(=O)[N-]c1nnc(SCc2cccnc2)s1 ZINC000021011520 570289081 /nfs/dbraw/zinc/28/90/81/570289081.db2.gz UYNZIUOJUYHKGW-UHFFFAOYSA-N -1 3 390.494 3.093 50 0 GGAAHM Cc1ccc(C([O-])=C2[C@@H](c3ccc(F)cc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000004163697 570360460 /nfs/dbraw/zinc/36/04/60/570360460.db2.gz XTEXKLOHKUNMQQ-HDMKZQKVSA-N -1 3 396.340 3.238 50 0 GGAAHM O=C(CCCCCn1cccc1)Nc1n[n-]c([C@H]2COc3ccccc3O2)n1 ZINC000604419256 570363025 /nfs/dbraw/zinc/36/30/25/570363025.db2.gz AYDBKDIRLRGMIR-QGZVFWFLSA-N -1 3 381.436 3.318 50 0 GGAAHM Cc1ccc(-c2cc(C(=O)N(C)Cc3nc(=O)c4sccc4[n-]3)n[nH]2)s1 ZINC000024450087 570383809 /nfs/dbraw/zinc/38/38/09/570383809.db2.gz JEJDJXDYTLCQMW-UHFFFAOYSA-N -1 3 385.474 3.017 50 0 GGAAHM CCOc1cc(C(=O)[N-]c2nnc([C@H]3CCCO3)o2)cc(OCC)c1OCC ZINC000010971046 570399898 /nfs/dbraw/zinc/39/98/98/570399898.db2.gz YMPULCMQBKIIQW-CYBMUJFWSA-N -1 3 391.424 3.370 50 0 GGAAHM COCCN1CCCc2ccc([N-]S(=O)(=O)c3ccc(OC)c(C)c3)cc21 ZINC000035588221 570402457 /nfs/dbraw/zinc/40/24/57/570402457.db2.gz PTDIARZOEPPWPT-UHFFFAOYSA-N -1 3 390.505 3.203 50 0 GGAAHM COCCN1CCCc2ccc([N-]S(=O)(=O)c3ccc(OC)cc3C)cc21 ZINC000035588265 570402507 /nfs/dbraw/zinc/40/25/07/570402507.db2.gz PDSXATQEUJAMDQ-UHFFFAOYSA-N -1 3 390.505 3.203 50 0 GGAAHM COc1ccccc1C([O-])=C1Nc2ccccc2-c2nnc(SC)nc2O1 ZINC000004755136 570403395 /nfs/dbraw/zinc/40/33/95/570403395.db2.gz SVRHZTFGWDYKCB-SFHVURJKSA-N -1 3 380.429 3.282 50 0 GGAAHM Cc1ccc(C([O-])=C2[C@@H](c3ccc(C)cc3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000004818427 570408343 /nfs/dbraw/zinc/40/83/43/570408343.db2.gz MOXGFSXLIUBXOG-FCEWJHQRSA-N -1 3 392.377 3.407 50 0 GGAAHM Cc1ccc(C(NC(=O)C[C@@H](N)C(=O)[O-])(c2ccccc2)c2ccccc2)cc1 ZINC000004899675 570416284 /nfs/dbraw/zinc/41/62/84/570416284.db2.gz RSGFXZGZDIQYCG-OAQYLSRUSA-N -1 3 388.467 3.205 50 0 GGAAHM CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1ccccc1[O-] ZINC000004945548 570419290 /nfs/dbraw/zinc/41/92/90/570419290.db2.gz WNQJHESNQVPEKP-UHFFFAOYSA-N -1 3 379.445 3.199 50 0 GGAAHM Cc1ccnc(NC(=O)c2c([O-])c3c(n(Cc4ccco4)c2=O)CCCC3)c1 ZINC000006444264 570423748 /nfs/dbraw/zinc/42/37/48/570423748.db2.gz KPGDXHRYROHGFG-UHFFFAOYSA-N -1 3 379.416 3.030 50 0 GGAAHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccncc1 ZINC000245310046 570435306 /nfs/dbraw/zinc/43/53/06/570435306.db2.gz GXCOQECPHALNOB-NJDAHSKKSA-N -1 3 385.423 3.441 50 0 GGAAHM CCOc1cc(C(=O)N2NC(C)=C[C@]2([O-])C(F)(F)F)ccc1OC(F)F ZINC000006487624 570449195 /nfs/dbraw/zinc/44/91/95/570449195.db2.gz BWJZYBPWUYSLPH-AWEZNQCLSA-N -1 3 382.285 3.159 50 0 GGAAHM COCc1cc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C(C)C)ccc1OC ZINC000004196048 570496481 /nfs/dbraw/zinc/49/64/81/570496481.db2.gz IGCVWDRDILSLHR-INIZCTEOSA-N -1 3 377.466 3.099 50 0 GGAAHM COc1ccc(NC(=O)c2cc(=O)c(OCc3ccc(Cl)cc3)c[n-]2)cn1 ZINC000061718289 570501111 /nfs/dbraw/zinc/50/11/11/570501111.db2.gz ULVUAQIHNKCDCP-UHFFFAOYSA-N -1 3 385.807 3.263 50 0 GGAAHM O=C1[C@H]2C(C3=Cc4ccccc4OC3)=NOC2=C([O-])N1c1cccc(Cl)c1 ZINC000006661928 570525600 /nfs/dbraw/zinc/52/56/00/570525600.db2.gz ZSXJASLTXXULHF-FUHWJXTLSA-N -1 3 380.787 3.060 50 0 GGAAHM COc1ccc(-c2nnc3c4cnn(-c5cc(C)cc(C)c5)c4ncn32)c([O-])c1 ZINC000005244567 570526450 /nfs/dbraw/zinc/52/64/50/570526450.db2.gz GYMIJXXZKZZKFV-UHFFFAOYSA-N -1 3 386.415 3.461 50 0 GGAAHM COc1cccc(-c2nc(CC[N-]S(=O)(=O)c3ccccc3F)cs2)c1 ZINC000006668939 570527416 /nfs/dbraw/zinc/52/74/16/570527416.db2.gz FPGPCLQAIWCMKM-UHFFFAOYSA-N -1 3 392.477 3.479 50 0 GGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCS3(=O)=O)cc2)cc1C ZINC000005250687 570528723 /nfs/dbraw/zinc/52/87/23/570528723.db2.gz XKDCDOFZPIGZAA-UHFFFAOYSA-N -1 3 394.518 3.034 50 0 GGAAHM COc1ccc(CN2C(=O)N(C(C)C)[C@@H](N([O-])C(=O)NC(C)C)C2(C)C)cc1 ZINC000005259930 570533397 /nfs/dbraw/zinc/53/33/97/570533397.db2.gz URCZJBJDZHNWDN-KRWDZBQOSA-N -1 3 392.500 3.255 50 0 biogenic GGAAHM CCc1ccc(N2C[C@@H](c3nnc([N-]C(=O)c4ccco4)s3)CC2=O)cc1 ZINC000008654693 570536407 /nfs/dbraw/zinc/53/64/07/570536407.db2.gz ZBIDWULIOONXAP-ZDUSSCGKSA-N -1 3 382.445 3.466 50 0 GGAAHM Cc1ccc(NC2=N[C@@H](C(=O)Nc3ccccc3C(F)(F)F)C=C([O-])N2)cc1 ZINC000009192449 570551580 /nfs/dbraw/zinc/55/15/80/570551580.db2.gz FKOCXLHKBRDZRL-OAHLLOKOSA-N -1 3 390.365 3.309 50 0 GGAAHM Cc1ccc(NC2=N[C@H](C(=O)Nc3ccccc3C(F)(F)F)C=C([O-])N2)cc1 ZINC000009192451 570551682 /nfs/dbraw/zinc/55/16/82/570551682.db2.gz FKOCXLHKBRDZRL-HNNXBMFYSA-N -1 3 390.365 3.309 50 0 GGAAHM CC(C)Cn1c(SCC(=O)Nc2ccccc2[O-])nnc1-c1ccncc1 ZINC000009426923 570558018 /nfs/dbraw/zinc/55/80/18/570558018.db2.gz JMBYWHSMHAWRHC-UHFFFAOYSA-N -1 3 383.477 3.433 50 0 GGAAHM CCOC(=O)[C@@]1(CCOC)CCCN(Cc2cc(Cl)c([O-])c(OC)c2)C1 ZINC000012195630 570623312 /nfs/dbraw/zinc/62/33/12/570623312.db2.gz QFQYHCHEQOYXLX-LJQANCHMSA-N -1 3 385.888 3.236 50 0 GGAAHM COCc1nnc([N-]C(=O)c2cc(-c3ccccc3)nc3onc(C)c32)s1 ZINC000036354780 570636171 /nfs/dbraw/zinc/63/61/71/570636171.db2.gz ZVXVTPVDNQPPSY-UHFFFAOYSA-N -1 3 381.417 3.448 50 0 GGAAHM CCOC(=O)c1sc(NC(=O)c2c[n-]c3ccc(F)cc3c2=O)nc1C ZINC000012389391 570639008 /nfs/dbraw/zinc/63/90/08/570639008.db2.gz NXQOOJOOTFTQHK-UHFFFAOYSA-N -1 3 375.381 3.273 50 0 GGAAHM CCOC(=O)c1sc(NC(=O)c2cnc3ccc(F)cc3c2[O-])nc1C ZINC000012389391 570639010 /nfs/dbraw/zinc/63/90/10/570639010.db2.gz NXQOOJOOTFTQHK-UHFFFAOYSA-N -1 3 375.381 3.273 50 0 GGAAHM CCOc1ccccc1-c1nc(CSc2nc3c(nc[n-]c3=O)n2C)c(C)o1 ZINC000012412519 570656378 /nfs/dbraw/zinc/65/63/78/570656378.db2.gz RGMGYJSGTCRQPA-UHFFFAOYSA-N -1 3 397.460 3.311 50 0 biogenic,in-vitro GGAAHM Cc1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1 ZINC000004338073 570677444 /nfs/dbraw/zinc/67/74/44/570677444.db2.gz HDJRWJZWECDZGG-MPGHIAIKSA-N -1 3 394.418 3.264 50 0 GGAAHM CCC(CC)n1[n-]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc2c(c1)OCO2 ZINC000005642673 570678775 /nfs/dbraw/zinc/67/87/75/570678775.db2.gz WNLBIQFQNYSNFT-MRXNPFEDSA-N -1 3 375.450 3.453 50 0 GGAAHM Cc1ccc(-c2ccccc2CN2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)o1 ZINC000244718930 570695099 /nfs/dbraw/zinc/69/50/99/570695099.db2.gz LTOKMIOQGGSUNQ-SFHVURJKSA-N -1 3 382.460 3.153 50 0 GGAAHM COc1ccc(C)cc1[C@H](C(=O)[O-])N(CCCn1ccnc1)Cc1ccncc1 ZINC000055404807 570695111 /nfs/dbraw/zinc/69/51/11/570695111.db2.gz QAYBKHOVCGRREA-OAQYLSRUSA-N -1 3 394.475 3.313 50 0 GGAAHM COc1ccc(F)cc1S(=O)(=O)[N-]Cc1ccc([C@@H](O)c2ccco2)s1 ZINC000206685976 570717499 /nfs/dbraw/zinc/71/74/99/570717499.db2.gz CRHHUBHQTKEHJH-KRWDZBQOSA-N -1 3 397.449 3.049 50 0 GGAAHM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(OC2CCN(C)CC2)cc1 ZINC000065361841 570759645 /nfs/dbraw/zinc/75/96/45/570759645.db2.gz KGGBPQXJQJHMDV-UHFFFAOYSA-N -1 3 394.468 3.108 50 0 GGAAHM Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000009615059 570776656 /nfs/dbraw/zinc/77/66/56/570776656.db2.gz ADVYIGZXOAGLRT-UHFFFAOYSA-N -1 3 388.880 3.496 50 0 GGAAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccncc2)cc1 ZINC000102732111 570859518 /nfs/dbraw/zinc/85/95/18/570859518.db2.gz YDZKQEDKBUHTJD-PCCBWWKXSA-N -1 3 385.423 3.441 50 0 GGAAHM O=C(Nc1ccccc1[O-])C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000016607268 570888681 /nfs/dbraw/zinc/88/86/81/570888681.db2.gz FLWKSVGMLQTLCN-UHFFFAOYSA-N -1 3 394.880 3.085 50 0 GGAAHM COc1cc2c(cc1OC)C(N[C@@H](Cc1ccccc1)C(=O)[O-])=NC(C)(C)C2 ZINC000004573045 570897608 /nfs/dbraw/zinc/89/76/08/570897608.db2.gz QPLMGAOVCHWXIC-KRWDZBQOSA-N -1 3 382.460 3.071 50 0 GGAAHM O=S(=O)([N-]CC1CCN(Cc2ccccc2)CC1)c1cc(F)ccc1F ZINC000023127633 570912752 /nfs/dbraw/zinc/91/27/52/570912752.db2.gz KWNWJICIYFUNAM-UHFFFAOYSA-N -1 3 380.460 3.155 50 0 GGAAHM COc1ccc(F)cc1S(=O)(=O)[N-]CCOc1cccc(C(F)(F)F)c1 ZINC000023143567 570918821 /nfs/dbraw/zinc/91/88/21/570918821.db2.gz SURQTFBJMYQEBA-UHFFFAOYSA-N -1 3 393.358 3.210 50 0 GGAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC)c(NC(C)=O)c2)cc1 ZINC000004742203 570956487 /nfs/dbraw/zinc/95/64/87/570956487.db2.gz LDHAVVSOLGAGGQ-UHFFFAOYSA-N -1 3 378.450 3.243 50 0 GGAAHM Cc1nc(N2CCN(c3ccccc3F)CC2)[n-]c(=O)c1Cc1ccccc1 ZINC000004741661 570956522 /nfs/dbraw/zinc/95/65/22/570956522.db2.gz RRCNJLHRTMPXCN-UHFFFAOYSA-N -1 3 378.451 3.135 50 0 GGAAHM Cc1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1 ZINC000001317697 570957378 /nfs/dbraw/zinc/95/73/78/570957378.db2.gz HDJRWJZWECDZGG-VKJFTORMSA-N -1 3 394.418 3.264 50 0 GGAAHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CC2(CCCC2)c2c1cccc2F ZINC000194987500 570961023 /nfs/dbraw/zinc/96/10/23/570961023.db2.gz XMENZHDBGCCEFS-UHFFFAOYSA-N -1 3 394.493 3.024 50 0 GGAAHM Cc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(F)cc2)cc1 ZINC000004144358 570963742 /nfs/dbraw/zinc/96/37/42/570963742.db2.gz UJFNHMRKXGRELJ-MPGHIAIKSA-N -1 3 396.340 3.238 50 0 GGAAHM Cc1ccc(C([O-])=C2[C@H](c3cccs3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000004144263 570963956 /nfs/dbraw/zinc/96/39/56/570963956.db2.gz UCMYEYOMPOHFNP-HEHGZKQESA-N -1 3 384.379 3.160 50 0 GGAAHM COC(=O)c1sccc1S(=O)(=O)[N-]C[C@@H](c1ccco1)c1cccs1 ZINC000585146681 570975780 /nfs/dbraw/zinc/97/57/80/570975780.db2.gz BNMMCCKIUMDRJF-NSHDSACASA-N -1 3 397.499 3.300 50 0 GGAAHM CCN(CC)C(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000004778231 570985254 /nfs/dbraw/zinc/98/52/54/570985254.db2.gz GRVXXIAGRKCYRF-UHFFFAOYSA-N -1 3 396.896 3.388 50 0 GGAAHM CCOC(=O)[C@@]([O-])(c1ccc(N(C)C(=O)c2cccs2)cc1)C(F)(F)F ZINC000004785905 570989819 /nfs/dbraw/zinc/98/98/19/570989819.db2.gz PZFDKZUSVHYKPA-INIZCTEOSA-N -1 3 387.379 3.338 50 0 GGAAHM COc1ccc(CN2C(=O)N(C(C)C)[C@H](N([O-])C(=O)NC(C)C)C2(C)C)cc1 ZINC000003985296 1398375882 /nfs/dbraw/zinc/37/58/82/1398375882.db2.gz URCZJBJDZHNWDN-QGZVFWFLSA-N -1 3 392.500 3.255 50 0 biogenic GGAAHM Cc1ccc(COc2ccc([C@@H]3CC(=O)Nc4nc(C)[n-]c(=O)c43)cc2)cc1 ZINC000008995608 1398851683 /nfs/dbraw/zinc/85/16/83/1398851683.db2.gz BEUMISMMWVWLPB-SFHVURJKSA-N -1 3 375.428 3.440 50 0 GGAAHM Cc1cc(C)nc(-n2nc3[n-]cc4c(c-3c2=O)C[C@@H](c2ccccc2C)CC4=O)n1 ZINC000009047138 1398852578 /nfs/dbraw/zinc/85/25/78/1398852578.db2.gz CFYJVPAAVZUFIE-OAHLLOKOSA-N -1 3 399.454 3.342 50 0 GGAAHM CCNC(=O)[C@@H]1CCCN1Cc1cccc(-c2nc(C3CCCC3)cc(=O)[n-]2)c1 ZINC000023250391 1399544271 /nfs/dbraw/zinc/54/42/71/1399544271.db2.gz TTYWLXKVVMCQKJ-FQEVSTJZSA-N -1 3 394.519 3.195 50 0 GGAAHM Cc1cccc(NC(=O)c2c([O-])n(Cc3ccco3)c3c(c2=O)CCCC3)n1 ZINC000135747816 1417264257 /nfs/dbraw/zinc/26/42/57/1417264257.db2.gz XCZUCYHZLQYHPE-UHFFFAOYSA-N -1 3 379.416 3.030 50 0 GGAAHM Cc1cccc(NC(=O)c2c([O-])c3c(n(Cc4ccco4)c2=O)CCCC3)n1 ZINC000135747816 1417264260 /nfs/dbraw/zinc/26/42/60/1417264260.db2.gz XCZUCYHZLQYHPE-UHFFFAOYSA-N -1 3 379.416 3.030 50 0 GGAAHM O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(CCc2nnn[n-]2)C1 ZINC000071738691 1424595468 /nfs/dbraw/zinc/59/54/68/1424595468.db2.gz BTNANUHWPVMISU-KRWDZBQOSA-N -1 3 377.448 3.129 50 0 GGAAHM O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(CCc2nn[n-]n2)C1 ZINC000071738691 1424595472 /nfs/dbraw/zinc/59/54/72/1424595472.db2.gz BTNANUHWPVMISU-KRWDZBQOSA-N -1 3 377.448 3.129 50 0 GGAAHM COC[C@H]1CCCN(C(=O)c2cccc(-c3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000426492769 231228925 /nfs/dbraw/zinc/22/89/25/231228925.db2.gz HSCASIFCYJNNNM-HNNXBMFYSA-N -1 3 377.448 3.032 50 0 GGAAHM COC[C@H]1CCCN(C(=O)c2cccc(-c3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000426492769 231228929 /nfs/dbraw/zinc/22/89/29/231228929.db2.gz HSCASIFCYJNNNM-HNNXBMFYSA-N -1 3 377.448 3.032 50 0 GGAAHM CO[C@H](C[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)c1ccccc1Cl ZINC000227684027 222709230 /nfs/dbraw/zinc/70/92/30/222709230.db2.gz HYPQVGMAKZMJMQ-CRFBAAHOSA-N -1 3 399.940 3.342 50 0 GGAAHM COC(=O)[C@@]([N-]c1ncc(C)s1)(NC(=O)c1ccccc1C)C(F)(F)F ZINC000002050503 212261339 /nfs/dbraw/zinc/26/13/39/212261339.db2.gz YOMVFLBHRVPXJX-HNNXBMFYSA-N -1 3 387.383 3.033 50 0 GGAAHM Cc1ccccc1[N-]S(=O)(=O)c1c(C)cc(C)c(N(C)S(C)(=O)=O)c1C ZINC000010233947 212238923 /nfs/dbraw/zinc/23/89/23/212238923.db2.gz CEQMOVSYRCAYCF-UHFFFAOYSA-N -1 3 396.534 3.117 50 0 GGAAHM COc1ccc(F)cc1S(=O)(=O)[N-]CCc1c(C)[nH]c2ccc(F)cc21 ZINC000001424303 212243860 /nfs/dbraw/zinc/24/38/60/212243860.db2.gz FIWKUOZTNNHURA-UHFFFAOYSA-N -1 3 380.416 3.284 50 0 GGAAHM Cc1c([O-])ccc(C(=O)COc2ccc(I)cc2)c1O ZINC000001314875 212235166 /nfs/dbraw/zinc/23/51/66/212235166.db2.gz BSTPBTDHJDPAJX-UHFFFAOYSA-N -1 3 384.169 3.273 50 0 GGAAHM CCN1CCOc2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2C1=O ZINC000009828201 212233919 /nfs/dbraw/zinc/23/39/19/212233919.db2.gz CPMREMNMQMNABX-UHFFFAOYSA-N -1 3 388.489 3.267 50 0 GGAAHM O=c1cc(CO)oc([C@@H](Nc2cccc(C(F)(F)F)c2)c2ccccn2)c1[O-] ZINC000001236070 212232290 /nfs/dbraw/zinc/23/22/90/212232290.db2.gz QXXFYAVFYIHEBC-INIZCTEOSA-N -1 3 392.333 3.453 50 0 GGAAHM CCN1C(=O)/C(=C/c2cc(I)ccc2[O-])SC1=S ZINC000001196465 212228888 /nfs/dbraw/zinc/22/88/88/212228888.db2.gz PIMXBBYPRRBAKO-POHAHGRESA-N -1 3 391.255 3.218 50 0 GGAAHM O=C(Nc1ccccc1[O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000001144851 212223104 /nfs/dbraw/zinc/22/31/04/212223104.db2.gz FGKRJTXPVKZBRQ-UHFFFAOYSA-N -1 3 380.853 3.082 50 0 GGAAHM O=C(Nc1cccc(Cl)c1)c1ccccc1[N-]S(=O)(=O)N1CCCC1 ZINC000001076405 212213720 /nfs/dbraw/zinc/21/37/20/212213720.db2.gz CJICECUZGMUFDG-UHFFFAOYSA-N -1 3 379.869 3.345 50 0 GGAAHM O=S(=O)([N-]Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1cccs1 ZINC000001028465 212207156 /nfs/dbraw/zinc/20/71/56/212207156.db2.gz PFRMFJTXSQOBCJ-UHFFFAOYSA-N -1 3 389.380 3.295 50 0 GGAAHM CCOC(=O)c1sc([N-]C(=O)c2c(C)noc2C)c(C(=O)OCC)c1C ZINC000001055312 212211032 /nfs/dbraw/zinc/21/10/32/212211032.db2.gz HZWDAJZHZVRHOF-UHFFFAOYSA-N -1 3 380.422 3.267 50 0 GGAAHM COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccc([O-])cc3)o2)c1 ZINC000000872548 212191835 /nfs/dbraw/zinc/19/18/35/212191835.db2.gz ULYYFCUECSNTHD-UHFFFAOYSA-N -1 3 387.417 3.190 50 0 GGAAHM O=S(=O)([N-]Cc1ccco1)c1cc(Br)ccc1Br ZINC000000863584 212190376 /nfs/dbraw/zinc/19/03/76/212190376.db2.gz PMMWNOSTYXIWQH-UHFFFAOYSA-N -1 3 395.072 3.283 50 0 GGAAHM Cc1ccc(-n2ncc3c2ncn([N-]C(=O)c2ccccc2Cl)c3=O)cc1C ZINC000009563078 212194081 /nfs/dbraw/zinc/19/40/81/212194081.db2.gz DMUZTHXGAFLQCP-UHFFFAOYSA-N -1 3 393.834 3.236 50 0 GGAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CN3CCCCC3)cc2)cc1 ZINC000000801824 212182333 /nfs/dbraw/zinc/18/23/33/212182333.db2.gz OKESIFQEEJUYCQ-UHFFFAOYSA-N -1 3 387.505 3.220 50 0 GGAAHM C[C@@H](NC(=O)C(=C([O-])c1ccc(F)cc1)n1ccccc1=O)c1ccccc1 ZINC000000819475 212186030 /nfs/dbraw/zinc/18/60/30/212186030.db2.gz HNMJDWULAQKQDS-QRWLVFNGSA-N -1 3 378.403 3.289 50 0 GGAAHM CCN(CC)C(=O)[C@@H]1CCCN(Cc2cc(Br)c([O-])c(OC)c2)C1 ZINC000000755560 212178856 /nfs/dbraw/zinc/17/88/56/212178856.db2.gz JQZBGYVMVQSLAJ-CQSZACIVSA-N -1 3 399.329 3.244 50 0 GGAAHM COc1cccc([C@@]2(O)C=C(C(F)(F)F)NN2C(=O)c2ccccc2[O-])c1 ZINC000000705316 212175185 /nfs/dbraw/zinc/17/51/85/212175185.db2.gz ZURGAGJCMCTDTK-KRWDZBQOSA-N -1 3 380.322 3.010 50 0 GGAAHM COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1I ZINC000000687830 212175247 /nfs/dbraw/zinc/17/52/47/212175247.db2.gz XJIRGEQWIUKFPP-UHFFFAOYSA-N -1 3 389.214 3.101 50 0 GGAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1 ZINC000000674227 212172756 /nfs/dbraw/zinc/17/27/56/212172756.db2.gz AEAWMSBEJMDZIN-UHFFFAOYSA-N -1 3 388.367 3.387 50 0 GGAAHM CN1c2ccc([N-]S(=O)(=O)Cc3ccccc3F)cc2OCC(C)(C)C1=O ZINC000009165953 212164519 /nfs/dbraw/zinc/16/45/19/212164519.db2.gz OYBRNVVNRUWLLV-UHFFFAOYSA-N -1 3 392.452 3.149 50 0 GGAAHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)N(C)C(=O)C(C)(C)CO2 ZINC000009170111 212164416 /nfs/dbraw/zinc/16/44/16/212164416.db2.gz TVLOSBMBGWKIIN-UHFFFAOYSA-N -1 3 392.452 3.316 50 0 GGAAHM O=S(=O)([N-]C[C@@](O)(c1ccoc1)c1cccs1)c1ccc(Cl)s1 ZINC000244970255 212132985 /nfs/dbraw/zinc/13/29/85/212132985.db2.gz HPSRHHFLEKMIOI-CQSZACIVSA-N -1 3 389.907 3.270 50 0 GGAAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccncc2)cc1 ZINC000245329187 212134320 /nfs/dbraw/zinc/13/43/20/212134320.db2.gz YDZKQEDKBUHTJD-NJDAHSKKSA-N -1 3 385.423 3.441 50 0 GGAAHM Cc1ccc(CNC(=O)C(=C([O-])c2ccc(F)cc2)n2cc(C)ccc2=O)cc1 ZINC000004698778 220749744 /nfs/dbraw/zinc/74/97/44/220749744.db2.gz OVMHBDSXYRXBHT-NRFANRHFSA-N -1 3 392.430 3.345 50 0 GGAAHM COc1ccc(NC(=O)c2c([O-])c3c(n(Cc4ccco4)c2=O)CCCC3)cc1 ZINC000008208536 221030153 /nfs/dbraw/zinc/03/01/53/221030153.db2.gz UKTAVDCROHRHDO-UHFFFAOYSA-N -1 3 394.427 3.335 50 0 GGAAHM CCn1ncc(-n2c(Cn3nc(C(F)F)cc3C(F)F)n[n-]c2=S)c1C ZINC000008339764 221038323 /nfs/dbraw/zinc/03/83/23/221038323.db2.gz ZCSFJYXJYDTZIA-UHFFFAOYSA-N -1 3 389.382 3.201 50 0 GGAAHM Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NCCO3)c(C)c1C ZINC000008961776 221065356 /nfs/dbraw/zinc/06/53/56/221065356.db2.gz RRSXXQIYNWVKMP-UHFFFAOYSA-N -1 3 388.489 3.152 50 0 GGAAHM Cc1ccccc1NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000008511082 221043953 /nfs/dbraw/zinc/04/39/53/221043953.db2.gz SUKMYAZEMHHGQA-UHFFFAOYSA-N -1 3 391.456 3.148 50 0 GGAAHM O=c1c2c[n-]nc2nc(SCc2ccc3c(c2)OCCO3)n1-c1ccccc1 ZINC000008580195 221044606 /nfs/dbraw/zinc/04/46/06/221044606.db2.gz DFRAZZGRPGTKQR-UHFFFAOYSA-N -1 3 392.440 3.172 50 0 GGAAHM O=c1c2cn[n-]c2nc(SCc2ccc3c(c2)OCCO3)n1-c1ccccc1 ZINC000008580195 221044608 /nfs/dbraw/zinc/04/46/08/221044608.db2.gz DFRAZZGRPGTKQR-UHFFFAOYSA-N -1 3 392.440 3.172 50 0 GGAAHM COc1cc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C)c(OC)cc1Br ZINC000008714819 221051516 /nfs/dbraw/zinc/05/15/16/221051516.db2.gz UHQSYVWBLNBMIR-PWSUYJOCSA-N -1 3 392.315 3.323 50 0 GGAAHM COc1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C)c(OC)cc1Br ZINC000008714822 221051917 /nfs/dbraw/zinc/05/19/17/221051917.db2.gz UHQSYVWBLNBMIR-CMPLNLGQSA-N -1 3 392.315 3.323 50 0 GGAAHM CCC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@H]1c1ccc(C)cc1 ZINC000009260437 221075544 /nfs/dbraw/zinc/07/55/44/221075544.db2.gz WDKXCIFRECCXDB-IBGZPJMESA-N -1 3 385.489 3.454 50 0 GGAAHM CC(C)Cn1c(SCC(=O)Nc2ccccc2[O-])nnc1-c1cccnc1 ZINC000009426921 221081543 /nfs/dbraw/zinc/08/15/43/221081543.db2.gz COGGECRAHCGLIE-UHFFFAOYSA-N -1 3 383.477 3.433 50 0 GGAAHM C[C@H](Sc1nc2ccccc2c(=O)[n-]1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000009576948 221086288 /nfs/dbraw/zinc/08/62/88/221086288.db2.gz SCOKGMVYMLGPEJ-ZDUSSCGKSA-N -1 3 392.484 3.244 50 0 GGAAHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CN(C(=O)C1CC1)CC2 ZINC000008977399 221067420 /nfs/dbraw/zinc/06/74/20/221067420.db2.gz ZJCLPASCJAUWHJ-UHFFFAOYSA-N -1 3 388.464 3.230 50 0 GGAAHM O=C([N-]c1sc2c(c1C(=O)NCc1cccnc1)CCCC2)c1csnn1 ZINC000011915820 221135581 /nfs/dbraw/zinc/13/55/81/221135581.db2.gz NMONPZCJIMVPFS-UHFFFAOYSA-N -1 3 399.501 3.056 50 0 GGAAHM COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(c4ccc(F)cc4)CC3)c2c1 ZINC000012325083 221182814 /nfs/dbraw/zinc/18/28/14/221182814.db2.gz JLVANJIDVYADAF-HXUWFJFHSA-N -1 3 383.423 3.264 50 0 GGAAHM O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(=O)n(-c2ccccc2)c(=O)[n-]1 ZINC000012338529 221184096 /nfs/dbraw/zinc/18/40/96/221184096.db2.gz XUBIKBFEUZDLIF-UHFFFAOYSA-N -1 3 391.305 3.089 50 0 GGAAHM O=C(Nc1ccc2c(c1)OCO2)c1cc(=O)c(OCc2ccc(F)cc2)c[n-]1 ZINC000012168739 221162041 /nfs/dbraw/zinc/16/20/41/221162041.db2.gz SOJDKFYEXWBJHD-UHFFFAOYSA-N -1 3 382.347 3.486 50 0 GGAAHM Cc1ccc(C([O-])=C2[C@H](c3ccccc3F)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000012377917 221186171 /nfs/dbraw/zinc/18/61/71/221186171.db2.gz FNUFUXVFAHXWNU-MPGHIAIKSA-N -1 3 396.340 3.238 50 0 GGAAHM CCOC(=O)[C@@]([N-]c1cccc(C(F)(F)F)c1)(NC(=O)CC)C(F)(F)F ZINC000012418333 221190014 /nfs/dbraw/zinc/19/00/14/221190014.db2.gz SDYVKNAVQFHCGS-CYBMUJFWSA-N -1 3 386.292 3.465 50 0 GGAAHM C[C@@H](O)c1cccc(NC(=O)COc2cc([O-])c3c(c2)OC(C)(C)CC3=O)c1 ZINC000012893154 221242233 /nfs/dbraw/zinc/24/22/33/221242233.db2.gz HVFPEEXWRDHKFU-GFCCVEGCSA-N -1 3 385.416 3.207 50 0 biogenic GGAAHM Cc1ccc(C([O-])=C2[C@@H](c3ccc(C)cc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000012946407 221250026 /nfs/dbraw/zinc/25/00/26/221250026.db2.gz MOXGFSXLIUBXOG-FRQCXROJSA-N -1 3 392.377 3.407 50 0 GGAAHM COc1cccc(N2CCN(c3nc(-c4ccccc4C)cc(=O)[n-]3)CC2)c1 ZINC000013119556 221262106 /nfs/dbraw/zinc/26/21/06/221262106.db2.gz KYXCMUNPUKTMEP-UHFFFAOYSA-N -1 3 376.460 3.081 50 0 GGAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)Nc3ccc(Cl)cn3)cc2O1 ZINC000013571248 221274336 /nfs/dbraw/zinc/27/43/36/221274336.db2.gz YIATUDJXBLLMSC-UHFFFAOYSA-N -1 3 376.796 3.202 50 0 GGAAHM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1)NC1CC1 ZINC000013849833 221292321 /nfs/dbraw/zinc/29/23/21/221292321.db2.gz NKQJLRKGLJEQFQ-UHFFFAOYSA-N -1 3 384.501 3.187 50 0 GGAAHM Cc1nnc(=O)[n-]c1SCC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000015859734 221349294 /nfs/dbraw/zinc/34/92/94/221349294.db2.gz FOUZWLAAWVAXRU-UHFFFAOYSA-N -1 3 380.473 3.207 50 0 GGAAHM Cc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c1 ZINC000016607330 221366236 /nfs/dbraw/zinc/36/62/36/221366236.db2.gz GYTBJFZRYXDHDT-UHFFFAOYSA-N -1 3 388.489 3.048 50 0 GGAAHM CCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(OC)c(C)c3)cc21 ZINC000017247943 221381869 /nfs/dbraw/zinc/38/18/69/221381869.db2.gz DBVBRZQKQXQVOK-UHFFFAOYSA-N -1 3 388.489 3.494 50 0 GGAAHM CCc1ccc(-n2c(O)c([C@@H]3NCCc4ccccc43)c(=O)[n-]c2=S)cc1 ZINC000017046023 221375904 /nfs/dbraw/zinc/37/59/04/221375904.db2.gz VKNOCKSSMQUSKG-GOSISDBHSA-N -1 3 379.485 3.398 50 0 GGAAHM CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000017078140 221377252 /nfs/dbraw/zinc/37/72/52/221377252.db2.gz FNXSVTUHYMMQOA-UHFFFAOYSA-N -1 3 382.507 3.338 50 0 GGAAHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccccc2C)cc1 ZINC000017078140 221377255 /nfs/dbraw/zinc/37/72/55/221377255.db2.gz FNXSVTUHYMMQOA-UHFFFAOYSA-N -1 3 382.507 3.338 50 0 GGAAHM Cc1ccc(SCc2cc(=O)[n-]c(N3CCN(c4ccccn4)CC3)n2)cc1 ZINC000018149014 221388503 /nfs/dbraw/zinc/38/85/03/221388503.db2.gz UGMDRPRFDCSDBE-UHFFFAOYSA-N -1 3 393.516 3.092 50 0 GGAAHM O=c1[n-]c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2c1CCC2 ZINC000018191025 221388622 /nfs/dbraw/zinc/38/86/22/221388622.db2.gz BSYZDYQILDWLIY-UHFFFAOYSA-N -1 3 386.499 3.170 50 0 GGAAHM Cc1ccc(Cc2c(C)nc(N3CCN(Cc4ccccc4)CC3)[n-]c2=O)cc1 ZINC000018219705 221390232 /nfs/dbraw/zinc/39/02/32/221390232.db2.gz QSFJKSQJPNIRQW-UHFFFAOYSA-N -1 3 388.515 3.300 50 0 GGAAHM Cc1cc(N2CCC(Oc3ccc4ccccc4c3)(C(=O)[O-])CC2)nc(N)n1 ZINC000082087248 136173375 /nfs/dbraw/zinc/17/33/75/136173375.db2.gz ZSJKFSOIYTZXNL-UHFFFAOYSA-N -1 3 378.432 3.023 50 0 GGAAHM Cc1ccc(-n2cccn2)c(CN2CCN(c3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000097527335 136188492 /nfs/dbraw/zinc/18/84/92/136188492.db2.gz DVPKGJYKLJJXTD-UHFFFAOYSA-N -1 3 376.460 3.201 50 0 GGAAHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3C)cc1C ZINC000008962449 136195831 /nfs/dbraw/zinc/19/58/31/136195831.db2.gz ZUXMHJLNFJSTRJ-UHFFFAOYSA-N -1 3 388.489 3.494 50 0 GGAAHM COc1cc(CN2CCN(c3ccccc3)CC2)cc(Br)c1[O-] ZINC000055543883 222022111 /nfs/dbraw/zinc/02/21/11/222022111.db2.gz ATLXNNXMEJKNEN-UHFFFAOYSA-N -1 3 377.282 3.486 50 0 GGAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCN(C)CC3)cc2)cc1F ZINC000067602048 222148864 /nfs/dbraw/zinc/14/88/64/222148864.db2.gz XYPWXDQFFOQNRJ-UHFFFAOYSA-N -1 3 394.468 3.108 50 0 GGAAHM Cc1cc(C(=O)NCc2cccnc2N(C)CCc2ccccn2)ccc1[O-] ZINC000067688936 222156666 /nfs/dbraw/zinc/15/66/66/222156666.db2.gz IDJDATWNKWQZQI-UHFFFAOYSA-N -1 3 376.460 3.100 50 0 GGAAHM CCn1nc(C(=O)[O-])c2c1CC[C@H](NCc1cc(-c3ccc(F)cc3)no1)C2 ZINC000067878455 222165603 /nfs/dbraw/zinc/16/56/03/222165603.db2.gz ZMNMYVKTINEXDH-AWEZNQCLSA-N -1 3 384.411 3.042 50 0 GGAAHM CCN(CC)CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000068740903 222172897 /nfs/dbraw/zinc/17/28/97/222172897.db2.gz FRECXOWKECKAHX-UHFFFAOYSA-N -1 3 394.468 3.125 50 0 GGAAHM COc1ccc(-c2nccn2CCNc2nc(C)cc(=O)[n-]2)c2ccccc12 ZINC000071404214 222184356 /nfs/dbraw/zinc/18/43/56/222184356.db2.gz FRMNMUXRIPXXIR-UHFFFAOYSA-N -1 3 375.432 3.216 50 0 GGAAHM O=C(c1cnc[n-]c1=O)N1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000071736152 222188679 /nfs/dbraw/zinc/18/86/79/222188679.db2.gz FSWKWWXHZRINPK-ZDUSSCGKSA-N -1 3 379.382 3.274 50 0 GGAAHM CC[C@@H]1CN(C(=O)c2cc(OC)ccc2[O-])CCC(=O)N1Cc1ccccc1 ZINC000071749651 222188999 /nfs/dbraw/zinc/18/89/99/222188999.db2.gz FMICJAPFDCGRRZ-QGZVFWFLSA-N -1 3 382.460 3.054 50 0 GGAAHM O=C(c1ccc(N2CC(=O)[N-]C2=O)cc1)N1CCC[C@H](CCc2ccccc2)C1 ZINC000071760166 222193424 /nfs/dbraw/zinc/19/34/24/222193424.db2.gz BNLWNLARTKMZGL-GOSISDBHSA-N -1 3 391.471 3.228 50 0 GGAAHM CC(C)[C@@H]1CN(C(=O)CCc2cc(=O)[n-]o2)CCCN1Cc1ccc(F)cc1 ZINC000071764628 222195197 /nfs/dbraw/zinc/19/51/97/222195197.db2.gz APKLLLVLNCIWBV-IBGZPJMESA-N -1 3 389.471 3.211 50 0 GGAAHM Cc1cccc(C(=O)N2CCc3c(nc(-c4ccccc4)nc3N(C)C)C2)c1[O-] ZINC000071765289 222195345 /nfs/dbraw/zinc/19/53/45/222195345.db2.gz YCQRQNCUHNXBEL-UHFFFAOYSA-N -1 3 388.471 3.422 50 0 GGAAHM CC(C)[C@@H]1CN(C(=O)c2ccccc2[O-])CCC(=O)N1Cc1ccc(F)cc1 ZINC000071765138 222196096 /nfs/dbraw/zinc/19/60/96/222196096.db2.gz JBXXZQRBAJLKST-IBGZPJMESA-N -1 3 384.451 3.431 50 0 GGAAHM O=C(N[C@H]1CC[C@H](Nc2nccc(-c3cccnc3)n2)C1)c1ccc([O-])cc1 ZINC000072124224 222208516 /nfs/dbraw/zinc/20/85/16/222208516.db2.gz JEIGTLXPTDQYPS-IRXDYDNUSA-N -1 3 375.432 3.007 50 0 GGAAHM COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3ccc(C)cc3[O-])C2)cc1OC ZINC000072133577 222210669 /nfs/dbraw/zinc/21/06/69/222210669.db2.gz CDTBPRPYXWQWBP-INIZCTEOSA-N -1 3 383.444 3.453 50 0 GGAAHM Cc1nn2c([n-]1)nc(CN1CCC[C@@H](CCc3c(F)cccc3F)C1)cc2=O ZINC000072138683 222211455 /nfs/dbraw/zinc/21/14/55/222211455.db2.gz LFCMXWSBOSMBGB-AWEZNQCLSA-N -1 3 387.434 3.261 50 0 GGAAHM O=C(Cc1ccc([O-])c(F)c1)N[C@H]1CC(=O)N(Cc2cccc3ccccc32)C1 ZINC000072156134 222213068 /nfs/dbraw/zinc/21/30/68/222213068.db2.gz MVBWLDCATQLBAV-SFHVURJKSA-N -1 3 392.430 3.144 50 0 GGAAHM O=C(c1cccc([O-])c1)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072162467 222214713 /nfs/dbraw/zinc/21/47/13/222214713.db2.gz IFGWZHKZKYADIT-PWRODBHTSA-N -1 3 384.426 3.373 50 0 GGAAHM Cc1nn2c([n-]1)nc(CN1CCC[C@H](Nc3ccc(C(C)C)cc3)C1)cc2=O ZINC000072169866 222215565 /nfs/dbraw/zinc/21/55/65/222215565.db2.gz ZMEVHLAZOWSENL-SFHVURJKSA-N -1 3 380.496 3.338 50 0 GGAAHM C/C(=C\c1ccccc1)CN1CCC2(C[C@H](C(=O)[O-])N(C(=O)C3CC3)C2)CC1 ZINC000072429597 222259775 /nfs/dbraw/zinc/25/97/75/222259775.db2.gz NYLNFPAXOUJJST-XMJIKXADSA-N -1 3 382.504 3.268 50 0 GGAAHM CCC[C@H](C)N1CC2(CCN(C(=O)c3cccc(OC)c3[O-])CC2)OC1=O ZINC000072469945 222263478 /nfs/dbraw/zinc/26/34/78/222263478.db2.gz APMVSMZKFIIPIY-AWEZNQCLSA-N -1 3 376.453 3.016 50 0 GGAAHM COC(=O)COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C(C)C)cc1 ZINC000085412440 222322637 /nfs/dbraw/zinc/32/26/37/222322637.db2.gz GXNUUAHHCRDUCV-INIZCTEOSA-N -1 3 375.450 3.195 50 0 GGAAHM Cc1ccc([O-])c(C(=O)N2CCC[C@H](c3nccn3Cc3cccnc3)C2)c1 ZINC000095501216 222334475 /nfs/dbraw/zinc/33/44/75/222334475.db2.gz UTLOWLBZJUWQHP-SFHVURJKSA-N -1 3 376.460 3.360 50 0 GGAAHM Cc1ccc(-n2nnc(C(=O)[N-]c3ccc(Br)cc3F)n2)cc1 ZINC000077100298 222272027 /nfs/dbraw/zinc/27/20/27/222272027.db2.gz JWSVSAWLWBCASW-UHFFFAOYSA-N -1 3 376.189 3.125 50 0 GGAAHM O=C(Nc1cc(Cl)ccc1[O-])c1nnn(-c2ccc(OC(F)(F)F)cc2)n1 ZINC000077100455 222273787 /nfs/dbraw/zinc/27/37/87/222273787.db2.gz PBPRKSYGHQSNCW-UHFFFAOYSA-N -1 3 399.716 3.172 50 0 GGAAHM CCOc1ccc2nc([N-]C(=O)c3nnn(-c4ccc(F)cc4)n3)sc2c1 ZINC000077100334 222274690 /nfs/dbraw/zinc/27/46/90/222274690.db2.gz HPZSQVSPXXPUQN-UHFFFAOYSA-N -1 3 384.396 3.062 50 0 GGAAHM Cc1ccc([O-])c(C(=O)N2CCC[C@H](c3nccn3Cc3cscn3)C2)c1 ZINC000095517192 222343565 /nfs/dbraw/zinc/34/35/65/222343565.db2.gz BCDBWQGLCNPHQG-HNNXBMFYSA-N -1 3 382.489 3.422 50 0 GGAAHM CCn1nc(C)c(CN2CCC(C(=O)[O-])(n3ccc(C(C)(C)C)n3)CC2)c1C ZINC000077288140 222278300 /nfs/dbraw/zinc/27/83/00/222278300.db2.gz KYWGORDOSSAWEG-UHFFFAOYSA-N -1 3 387.528 3.090 50 0 GGAAHM CC(C)n1[n-]c(=O)c2c1nc1[nH]c(=O)n(C)c1c2-c1cccc(OC(F)F)c1 ZINC000079477339 222305113 /nfs/dbraw/zinc/30/51/13/222305113.db2.gz OZBMGXJHOGEUGT-UHFFFAOYSA-N -1 3 389.362 3.166 50 0 GGAAHM Cc1cc(C(=O)N2CCC[C@@H](c3cc(=O)[n-]c(C)n3)C2)c2cccc(C)c2n1 ZINC000082125424 222309928 /nfs/dbraw/zinc/30/99/28/222309928.db2.gz QJSSFWHJPVXRMF-MRXNPFEDSA-N -1 3 376.460 3.263 50 0 GGAAHM CCCCOc1ccc(CN2CCC3(C[C@H](C(=O)[O-])N(C(C)=O)C3)CC2)cc1 ZINC000082161505 222312462 /nfs/dbraw/zinc/31/24/62/222312462.db2.gz YLSVWQILNAGJJL-HXUWFJFHSA-N -1 3 388.508 3.153 50 0 GGAAHM Cc1ccc(C(=O)N2CCC[C@H](c3nccn3Cc3ccncc3)C2)c([O-])c1 ZINC000095531311 222352398 /nfs/dbraw/zinc/35/23/98/222352398.db2.gz PYBOPNQCGQBQOV-SFHVURJKSA-N -1 3 376.460 3.360 50 0 GGAAHM COc1ccc(F)cc1S(=O)(=O)[N-]Cc1ccc(C(=O)c2ccco2)s1 ZINC000096119815 222384348 /nfs/dbraw/zinc/38/43/48/222384348.db2.gz QJIAOYBVXNCJED-UHFFFAOYSA-N -1 3 395.433 3.198 50 0 GGAAHM CCCN1c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3C)cc2CCC1=O ZINC000008840592 535003247 /nfs/dbraw/zinc/00/32/47/535003247.db2.gz ZHBFUMJOFVQKLC-UHFFFAOYSA-N -1 3 388.489 3.494 50 0 GGAAHM COc1c(Cl)c(Cl)ccc1S(=O)(=O)[N-]Cc1ccc2c(c1)OCO2 ZINC000001157407 564183228 /nfs/dbraw/zinc/18/32/28/564183228.db2.gz PJNXZPRQHIFBFD-UHFFFAOYSA-N -1 3 390.244 3.209 50 0 GGAAHM O=S(=O)([N-]c1ccc(Br)cc1F)c1ccc2c(c1)OCCO2 ZINC000001105246 564183767 /nfs/dbraw/zinc/18/37/67/564183767.db2.gz DPWFIVPBTRWYHX-UHFFFAOYSA-N -1 3 388.214 3.160 50 0 GGAAHM CCOC(=O)N[C@]([N-]c1ccc(F)c(Cl)c1)(C(=O)OCC)C(F)(F)F ZINC000002274497 564186383 /nfs/dbraw/zinc/18/63/83/564186383.db2.gz FVMBLFGURJXCGA-CYBMUJFWSA-N -1 3 386.729 3.459 50 0 GGAAHM O=S(=O)([N-]CCCn1nc(C(F)(F)F)cc1C1CC1)c1cccs1 ZINC000002766681 564189512 /nfs/dbraw/zinc/18/95/12/564189512.db2.gz SMJDCYCHJMXYDB-UHFFFAOYSA-N -1 3 379.429 3.209 50 0 GGAAHM CS(=O)(=O)[N-]c1nn(Cc2ccc(Cl)c(Cl)c2)cc1Br ZINC000002771174 564190405 /nfs/dbraw/zinc/19/04/05/564190405.db2.gz WWOVLBNZGDOTEE-UHFFFAOYSA-N -1 3 399.097 3.372 50 0 GGAAHM NC(=O)c1c2c(sc1[N-]C(=O)c1c(F)c(F)c(F)c(F)c1F)CCC2 ZINC000002846236 564191425 /nfs/dbraw/zinc/19/14/25/564191425.db2.gz GXYWZUSOHMGAEX-UHFFFAOYSA-N -1 3 376.306 3.284 50 0 GGAAHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1F ZINC000002876574 564191675 /nfs/dbraw/zinc/19/16/75/564191675.db2.gz GLMRZRNRHPPOKS-SECBINFHSA-N -1 3 391.251 3.438 50 0 GGAAHM O=S(=O)([N-]c1ccccc1F)c1ccc(I)cc1 ZINC000002999047 564192359 /nfs/dbraw/zinc/19/23/59/564192359.db2.gz NCSXFEHKCDKXKS-UHFFFAOYSA-N -1 3 377.178 3.231 50 0 GGAAHM O=C(CSc1nnc([N-]C(=O)c2ccco2)s1)Nc1ccccc1F ZINC000004078071 564200003 /nfs/dbraw/zinc/20/00/03/564200003.db2.gz PYYRHAAHZIJUQC-UHFFFAOYSA-N -1 3 378.410 3.253 50 0 GGAAHM CS(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccccc3Cl)o2)cc1 ZINC000004518056 564204327 /nfs/dbraw/zinc/20/43/27/564204327.db2.gz CGVDQHJCSXIWMT-UHFFFAOYSA-N -1 3 377.809 3.046 50 0 GGAAHM COc1ccccc1CN1C(=S)SC(C)(C)[C@@H]1N([O-])C(=O)NC(C)C ZINC000004784655 564207694 /nfs/dbraw/zinc/20/76/94/564207694.db2.gz PFSJOAFITGXTBL-AWEZNQCLSA-N -1 3 383.539 3.443 50 0 GGAAHM CCS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2cc(Cl)ccc2Cl)n1 ZINC000006700731 564227374 /nfs/dbraw/zinc/22/73/74/564227374.db2.gz SWYFPHHREWVHRO-UHFFFAOYSA-N -1 3 394.667 3.483 50 0 GGAAHM CNC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)ccc1OC ZINC000013678913 564278369 /nfs/dbraw/zinc/27/83/69/564278369.db2.gz SHGNMUYEPFEAKY-UHFFFAOYSA-N -1 3 389.260 3.162 50 0 GGAAHM COc1nn(C)cc1C(=O)[N-]c1nnc(SCc2ccc(C)cc2)s1 ZINC000021011374 564309023 /nfs/dbraw/zinc/30/90/23/564309023.db2.gz GLNPBTNTSZVPEA-UHFFFAOYSA-N -1 3 375.479 3.133 50 0 GGAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCCc1ccc(N(C)C)cc1 ZINC000023002831 564321011 /nfs/dbraw/zinc/32/10/11/564321011.db2.gz XONSWQBGCKZASY-UHFFFAOYSA-N -1 3 382.913 3.326 50 0 GGAAHM Cc1nn(C(F)F)cc1S(=O)(=O)[N-]Cc1csc(-c2ccccc2)n1 ZINC000036614984 564417104 /nfs/dbraw/zinc/41/71/04/564417104.db2.gz AGVHQGPFFNYFGP-UHFFFAOYSA-N -1 3 384.433 3.189 50 0 GGAAHM CC(=O)N(CC(C)C)c1nc(C)c(C(=O)[N-]c2nnc(C3CC3)s2)s1 ZINC000040284231 564427287 /nfs/dbraw/zinc/42/72/87/564427287.db2.gz BNCNGDLENGNPSN-UHFFFAOYSA-N -1 3 379.511 3.442 50 0 GGAAHM [O-]C(c1ccccc1)=C1[C@@H](c2cccs2)NC(=S)N[C@]1(O)C(F)(F)F ZINC000042652399 564448973 /nfs/dbraw/zinc/44/89/73/564448973.db2.gz YIYLAKHZHJTMLQ-YWPYICTPSA-N -1 3 386.420 3.017 50 0 GGAAHM CC[C@H]1C=CCN1C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O ZINC000091519409 564871684 /nfs/dbraw/zinc/87/16/84/564871684.db2.gz BLUWTFPVKMMVKK-NSHDSACASA-N -1 3 378.259 3.458 50 0 GGAAHM O=c1[n-]n(C2CCSCC2)c2c1[C@@H](c1cccc(O)c1)SCC(=O)N2 ZINC000096118249 564901000 /nfs/dbraw/zinc/90/10/00/564901000.db2.gz GKFFCLWBEMUEIQ-OAHLLOKOSA-N -1 3 377.491 3.137 50 0 GGAAHM O=c1[n-]n(C2CCSCC2)c2c1[C@H](c1cccc(O)c1)SCC(=O)N2 ZINC000096118250 564901157 /nfs/dbraw/zinc/90/11/57/564901157.db2.gz GKFFCLWBEMUEIQ-HNNXBMFYSA-N -1 3 377.491 3.137 50 0 GGAAHM O=c1[n-]n(C2CCSCC2)c2c1[C@H](c1ccc(O)cc1)SCC(=O)N2 ZINC000096117945 564901278 /nfs/dbraw/zinc/90/12/78/564901278.db2.gz MAAVEVFTOCDOIK-HNNXBMFYSA-N -1 3 377.491 3.137 50 0 GGAAHM Cc1ccc(N2C(=O)[C@@H]3C(c4ccc(Br)cc4)=NOC3=C2[O-])c(C)c1 ZINC000100842011 564914728 /nfs/dbraw/zinc/91/47/28/564914728.db2.gz XLPDYEBAKGBEDZ-WBVHZDCISA-N -1 3 399.244 3.358 50 0 GGAAHM O=C1[C@@H]2C(c3ccccc3Cl)=NOC2=C([O-])N1c1ccc(F)c(Cl)c1 ZINC000101205851 564915525 /nfs/dbraw/zinc/91/55/25/564915525.db2.gz USLQNDYHEGTRBN-HIFRSBDPSA-N -1 3 379.174 3.425 50 0 GGAAHM Cc1ccc(N2C(=O)[C@H]3C(c4ccc(Br)cc4)=NOC3=C2[O-])cc1 ZINC000101362032 564915553 /nfs/dbraw/zinc/91/55/53/564915553.db2.gz GOKITFBHMAYETD-GOEBONIOSA-N -1 3 385.217 3.050 50 0 GGAAHM Cc1cccc(C)c1N1C(=O)[C@@H]2C(c3ccc(Br)cc3)=NOC2=C1[O-] ZINC000101313568 564915640 /nfs/dbraw/zinc/91/56/40/564915640.db2.gz XQLMKRDOJVEJJK-PBHICJAKSA-N -1 3 399.244 3.358 50 0 GGAAHM O=C1[C@H]2C(c3ccccc3Cl)=NOC2=C([O-])N1c1ccc(F)c(Cl)c1 ZINC000101359350 564915709 /nfs/dbraw/zinc/91/57/09/564915709.db2.gz USLQNDYHEGTRBN-DZGCQCFKSA-N -1 3 379.174 3.425 50 0 GGAAHM Cn1ccc2cc([C@@H](O)C[N-]S(=O)(=O)c3cc(Cl)ccc3Cl)ccc21 ZINC000245093487 565987760 /nfs/dbraw/zinc/98/77/60/565987760.db2.gz RPXMDZTVZITBBF-INIZCTEOSA-N -1 3 399.299 3.497 50 0 GGAAHM COC(=O)c1sccc1[N-]C(=O)c1nc(C)n(-c2cccc(Cl)c2)n1 ZINC000252509210 566114500 /nfs/dbraw/zinc/11/45/00/566114500.db2.gz YGCCZNYODKDMOD-UHFFFAOYSA-N -1 3 376.825 3.330 50 0 GGAAHM Cc1nn(CC[N-]S(=O)(=O)c2ccc(Cl)s2)c(C)c1-c1ccco1 ZINC000575616074 566276957 /nfs/dbraw/zinc/27/69/57/566276957.db2.gz VPNHFIJYOMWLEV-UHFFFAOYSA-N -1 3 385.898 3.453 50 0 GGAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](c1ccsc1)n1cccn1 ZINC000575614221 566277146 /nfs/dbraw/zinc/27/71/46/566277146.db2.gz PTGYXJCLYOILHV-CQSZACIVSA-N -1 3 397.909 3.175 50 0 GGAAHM Cc1cc(C)n([C@@H](C[N-]S(=O)(=O)CCC(F)(F)F)c2ccsc2)n1 ZINC000575614644 566277303 /nfs/dbraw/zinc/27/73/03/566277303.db2.gz ZNOFHTBPAPOIFU-ZDUSSCGKSA-N -1 3 381.445 3.023 50 0 GGAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1nccnc1-c1ccsc1 ZINC000575618799 566277495 /nfs/dbraw/zinc/27/74/95/566277495.db2.gz JCDQDMMTQOXHKG-UHFFFAOYSA-N -1 3 395.893 3.346 50 0 GGAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(COc3ccc(F)cc3)o2)N1 ZINC000000655888 570214663 /nfs/dbraw/zinc/21/46/63/570214663.db2.gz PLWFIFWGCGULGB-INIZCTEOSA-N -1 3 386.301 3.470 50 0 GGAAHM CCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1ccc(Cl)cc1)C3 ZINC000019821133 570222706 /nfs/dbraw/zinc/22/27/06/570222706.db2.gz QAFFOLSXTVPEJS-GFCCVEGCSA-N -1 3 383.835 3.061 50 0 GGAAHM O=c1c2ccccc2[n-]c(=S)n1CCCN1CCN(Cc2ccccc2)CC1 ZINC000020153995 570254816 /nfs/dbraw/zinc/25/48/16/570254816.db2.gz FSDOALAIWUQISQ-UHFFFAOYSA-N -1 3 394.544 3.267 50 0 GGAAHM Cn1c2cc(Cl)c(S(=O)(=O)[N-][C@H]3CCCc4ccccc43)cc2oc1=O ZINC000020428117 570255509 /nfs/dbraw/zinc/25/55/09/570255509.db2.gz OMHKDGOZXLXVCJ-AWEZNQCLSA-N -1 3 392.864 3.141 50 0 GGAAHM O=C([N-]c1ccc(Cl)cc1)c1nc(-c2cn(-c3ccc(F)cc3)nn2)no1 ZINC000049410295 570266113 /nfs/dbraw/zinc/26/61/13/570266113.db2.gz DELAVXVHTUNOGQ-UHFFFAOYSA-N -1 3 384.758 3.362 50 0 GGAAHM COC(=O)[C@]([O-])(CC(=O)Nc1ccc(Oc2ccccc2)cc1)C(F)(F)F ZINC000002761219 570270792 /nfs/dbraw/zinc/27/07/92/570270792.db2.gz WWMUZIHLIBMQJO-QGZVFWFLSA-N -1 3 383.322 3.274 50 0 GGAAHM Cc1c([N-]C(=O)c2c(F)c(F)c(F)c(F)c2F)c(=O)n(-c2ccccc2)n1C ZINC000002096194 570274585 /nfs/dbraw/zinc/27/45/85/570274585.db2.gz HYAIWLURNPKPMF-UHFFFAOYSA-N -1 3 397.303 3.432 50 0 GGAAHM COc1ccccc1N1CCN([C@@H](C(=O)[O-])c2c[nH]c3cc(F)ccc32)CC1 ZINC000020714360 570275455 /nfs/dbraw/zinc/27/54/55/570275455.db2.gz WOQWCAFNCNKGOQ-HXUWFJFHSA-N -1 3 383.423 3.264 50 0 GGAAHM Cc1noc(C)c1CN1CCN([C@H](C(=O)[O-])c2c(C)[nH]c3ccccc32)CC1 ZINC000020716898 570275710 /nfs/dbraw/zinc/27/57/10/570275710.db2.gz GRFJJXCNNMXSCB-FQEVSTJZSA-N -1 3 382.464 3.025 50 0 GGAAHM COc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(c4ccccc4OC)CC3)c2c1 ZINC000020723440 570276826 /nfs/dbraw/zinc/27/68/26/570276826.db2.gz VVWJUGIOSRQPSM-NRFANRHFSA-N -1 3 395.459 3.133 50 0 GGAAHM COc1cccc2c([C@@H](C(=O)[O-])N3CCN(c4ccccc4OC)CC3)c[nH]c21 ZINC000020744628 570278806 /nfs/dbraw/zinc/27/88/06/570278806.db2.gz YKXMXQUKLONXTO-NRFANRHFSA-N -1 3 395.459 3.133 50 0 GGAAHM COc1ccc(-c2nnc3c4cnn(-c5ccc(C)cc5C)c4ncn32)c([O-])c1 ZINC000002204593 570278811 /nfs/dbraw/zinc/27/88/11/570278811.db2.gz SUYZLDOIBUEPQC-UHFFFAOYSA-N -1 3 386.415 3.461 50 0 GGAAHM Cc1ccccc1-c1ncc(CN2CCC[C@@H](c3cc(=O)[n-]c(C)n3)C2)cn1 ZINC000216113995 570295831 /nfs/dbraw/zinc/29/58/31/570295831.db2.gz ZIINEGZTEPOCGD-GOSISDBHSA-N -1 3 375.476 3.223 50 0 GGAAHM CCS(=O)(=O)c1ccccc1C(=O)[N-]c1nnc(-c2ccccc2Cl)o1 ZINC000005241005 570300444 /nfs/dbraw/zinc/30/04/44/570300444.db2.gz BRUXDLNUCTXHQQ-UHFFFAOYSA-N -1 3 391.836 3.436 50 0 GGAAHM CCOC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cc1 ZINC000002838224 570306786 /nfs/dbraw/zinc/30/67/86/570306786.db2.gz TUVUJAXRQJHBOQ-UHFFFAOYSA-N -1 3 399.852 3.091 50 0 GGAAHM Cc1ccc(S(=O)(=O)C([O-])=Nc2sc3c(c2C(N)=O)CCCCC3)cc1 ZINC000022239136 570309886 /nfs/dbraw/zinc/30/98/86/570309886.db2.gz AQTLVHIFFFDKTI-UHFFFAOYSA-N -1 3 392.502 3.430 50 0 GGAAHM Cc1ccc(S(=O)(=O)C(=O)[N-]c2sc3c(c2C(N)=O)CCCCC3)cc1 ZINC000022239136 570309890 /nfs/dbraw/zinc/30/98/90/570309890.db2.gz AQTLVHIFFFDKTI-UHFFFAOYSA-N -1 3 392.502 3.430 50 0 GGAAHM CCN(CC)C(=O)c1sc([N-]C(=S)n2cc(C)cn2)c(C(=O)OC)c1C ZINC000002858076 570310426 /nfs/dbraw/zinc/31/04/26/570310426.db2.gz FYFXDIFSDBCLDS-UHFFFAOYSA-N -1 3 394.522 3.075 50 0 GGAAHM COc1ccc(F)cc1S(=O)(=O)[N-]C[C@H](O)c1ccc(-c2ccsc2)o1 ZINC000575609313 570332276 /nfs/dbraw/zinc/33/22/76/570332276.db2.gz ARFSVYYUWGHABA-ZDUSSCGKSA-N -1 3 397.449 3.168 50 0 GGAAHM CN(Cc1ccco1)Cc1cccc(-c2nc(CCn3cccn3)cc(=O)[n-]2)c1 ZINC000023312267 570354578 /nfs/dbraw/zinc/35/45/78/570354578.db2.gz IFAPILZFEBEPOI-UHFFFAOYSA-N -1 3 389.459 3.101 50 0 GGAAHM COc1ccc(F)cc1S(=O)(=O)[N-]C[C@H](c1cc2ccccc2o1)N(C)C ZINC000575618723 570363733 /nfs/dbraw/zinc/36/37/33/570363733.db2.gz BIOCJEJVOGEEEV-OAHLLOKOSA-N -1 3 392.452 3.162 50 0 GGAAHM CCc1nnc([N-]C(=O)c2nnn(-c3cccc(C(F)(F)F)c3)c2C)s1 ZINC000004938581 570375273 /nfs/dbraw/zinc/37/52/73/570375273.db2.gz HZDJIKBXMIBKIA-UHFFFAOYSA-N -1 3 382.371 3.261 50 0 GGAAHM COc1ccccc1OCc1ccc(C(=O)N2NC=C[C@]2([O-])C(F)(F)F)cc1 ZINC000006413054 570405571 /nfs/dbraw/zinc/40/55/71/570405571.db2.gz PQNDVJSURJWEMA-SFHVURJKSA-N -1 3 394.349 3.357 50 0 GGAAHM Cc1ccc(C([O-])=C2[C@H](c3ccc(C)cc3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000004818428 570408256 /nfs/dbraw/zinc/40/82/56/570408256.db2.gz MOXGFSXLIUBXOG-BXWFABGCSA-N -1 3 392.377 3.407 50 0 GGAAHM C[C@H]1c2cc(S(=O)(=O)[N-]c3ccc(F)cc3F)cc3c2N(CCC3)C1=O ZINC000005153891 570429302 /nfs/dbraw/zinc/42/93/02/570429302.db2.gz RANUZABYBBLNQV-JTQLQIEISA-N -1 3 378.400 3.162 50 0 GGAAHM CCCCOC(=O)c1ccc(NC(=O)c2c(O)nc3ccccc3c2[O-])cc1 ZINC000005789952 570456916 /nfs/dbraw/zinc/45/69/16/570456916.db2.gz KDNXVFLLGKLSEN-UHFFFAOYSA-N -1 3 380.400 3.443 50 0 GGAAHM CCOC(=O)C(C)(C)Sc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000006529127 570466573 /nfs/dbraw/zinc/46/65/73/570466573.db2.gz DWOBWBGYKPNZLJ-UHFFFAOYSA-N -1 3 392.868 3.196 50 0 GGAAHM O=C([O-])[C@H](CC(=O)Nc1ccc(Oc2ccccc2)cc1)NCc1cccnc1 ZINC000006423196 570479863 /nfs/dbraw/zinc/47/98/63/570479863.db2.gz CULXRZFEVYLTAH-FQEVSTJZSA-N -1 3 391.427 3.446 50 0 GGAAHM CCOC(=O)[C@]([O-])(c1ccc(NC(=O)NC2CCCCC2)cc1)C(F)(F)F ZINC000006690843 570488204 /nfs/dbraw/zinc/48/82/04/570488204.db2.gz XVNMWTYVELHPHA-QGZVFWFLSA-N -1 3 388.386 3.454 50 0 GGAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccco2)cc1 ZINC000101171571 570505139 /nfs/dbraw/zinc/50/51/39/570505139.db2.gz MLMNIIWAGRXMHP-HSALFYBXSA-N -1 3 390.395 3.339 50 0 GGAAHM CCc1nc2sc([C@H](c3ccc(CC)cc3)N3CCC(O)CC3)c([O-])n2n1 ZINC000022855200 570557915 /nfs/dbraw/zinc/55/79/15/570557915.db2.gz STPJJFXEYRFYFY-KRWDZBQOSA-N -1 3 386.521 3.167 50 0 GGAAHM Cc1cccc(NC(=O)c2c([O-])c3c(n(Cc4ccco4)c2=O)CCCC3)n1 ZINC000005448428 570596905 /nfs/dbraw/zinc/59/69/05/570596905.db2.gz XPJCSIQNUKBFNE-UHFFFAOYSA-N -1 3 379.416 3.030 50 0 GGAAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccncc1 ZINC000004593546 570624616 /nfs/dbraw/zinc/62/46/16/570624616.db2.gz KCOBPCXTEANSGM-VAMGGRTRSA-N -1 3 389.386 3.272 50 0 GGAAHM COc1ccc(Cc2nnc([N-]C(=O)c3csc(NC4CC4)n3)s2)cc1 ZINC000036356952 570637012 /nfs/dbraw/zinc/63/70/12/570637012.db2.gz YPJKNIUVFWUEIY-UHFFFAOYSA-N -1 3 387.490 3.421 50 0 GGAAHM Nc1nc([C@H]2C[C@@H](NC(=O)c3ccccc3-c3ccccc3F)C2)cc(=O)[n-]1 ZINC000240203855 570684531 /nfs/dbraw/zinc/68/45/31/570684531.db2.gz JUEYLOGBDDKJNB-BETUJISGSA-N -1 3 378.407 3.247 50 0 GGAAHM COc1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](O)c1ccc(-c2ccco2)cc1 ZINC000585147849 570742119 /nfs/dbraw/zinc/74/21/19/570742119.db2.gz CECXFLDFSOZXSL-MRXNPFEDSA-N -1 3 391.420 3.106 50 0 GGAAHM Cc1nn(C(F)F)cc1S(=O)(=O)[N-]Cc1ccccc1N1CCC(C)CC1 ZINC000036615131 570750813 /nfs/dbraw/zinc/75/08/13/570750813.db2.gz FSENFXPISIHGCA-UHFFFAOYSA-N -1 3 398.479 3.301 50 0 GGAAHM Cc1nn(CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)c(C)c1-c1ccccc1 ZINC000238902224 570812543 /nfs/dbraw/zinc/81/25/43/570812543.db2.gz RPECEMMSHSLCKA-UHFFFAOYSA-N -1 3 391.443 3.424 50 0 GGAAHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000004674041 570820029 /nfs/dbraw/zinc/82/00/29/570820029.db2.gz UVDMRLDIONZXIH-UHFFFAOYSA-N -1 3 389.351 3.058 50 0 GGAAHM COc1cc(Cl)c(C)cc1N1C(=O)[C@H]2C(c3ccc(F)cc3)=NOC2=C1[O-] ZINC000101361106 570820179 /nfs/dbraw/zinc/82/01/79/570820179.db2.gz VRERUZFCPFTSHT-DOTOQJQBSA-N -1 3 388.782 3.089 50 0 GGAAHM CCOc1ccc(-n2nnc(C(=O)[N-]c3nnc(SCC)s3)c2C)cc1 ZINC000004511653 570825728 /nfs/dbraw/zinc/82/57/28/570825728.db2.gz HGBDRWUGXABRSB-UHFFFAOYSA-N -1 3 390.494 3.190 50 0 GGAAHM COc1cccc(NC(=O)CSc2nnc([N-]C(=O)c3ccco3)s2)c1 ZINC000007388754 570836533 /nfs/dbraw/zinc/83/65/33/570836533.db2.gz KGCBQKYTHITAJM-UHFFFAOYSA-N -1 3 390.446 3.123 50 0 GGAAHM Cc1ccc(=O)n(C(C(=O)NCc2ccccc2)=C([O-])c2ccc(F)cc2)c1 ZINC000004699998 570844052 /nfs/dbraw/zinc/84/40/52/570844052.db2.gz MKLRIQAKHNMDHW-FQEVSTJZSA-N -1 3 378.403 3.036 50 0 GGAAHM Cc1cc(CN2CCC(C[N-]S(=O)(=O)c3ccccc3F)CC2)c(C)o1 ZINC000043954114 570844079 /nfs/dbraw/zinc/84/40/79/570844079.db2.gz QBKQWQUCGODDTB-UHFFFAOYSA-N -1 3 380.485 3.226 50 0 GGAAHM Cc1cc(C)nc(-n2nc3[n-]cc4c(c-3c2=O)C[C@@H](c2ccccc2)CC4=O)n1 ZINC000102752671 570862314 /nfs/dbraw/zinc/86/23/14/570862314.db2.gz FMHPDQAKVCBCJE-OAHLLOKOSA-N -1 3 385.427 3.446 50 0 GGAAHM O=C1N[C@H](c2ccccc2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)C(F)F)N1 ZINC000103406649 570883518 /nfs/dbraw/zinc/88/35/18/570883518.db2.gz YCHBDOCDHQISDQ-IQUTYRLHSA-N -1 3 396.340 3.129 50 0 GGAAHM O=C(c1cccc(-c2ccc(F)cc2[O-])c1)N1CCC(N2CCOCC2)CC1 ZINC000299754940 570891803 /nfs/dbraw/zinc/89/18/03/570891803.db2.gz CZGCOESZGWWFBA-UHFFFAOYSA-N -1 3 384.451 3.135 50 0 GGAAHM Cc1nc(C2CCN(C(=O)Nc3ccc(-n4ccnc4)cc3)CC2)cc(=O)[n-]1 ZINC000299755792 570891890 /nfs/dbraw/zinc/89/18/90/570891890.db2.gz CZXSKIHSTDYMFW-UHFFFAOYSA-N -1 3 378.436 3.088 50 0 GGAAHM Cc1nc([C@H]2CCCN(C(=O)Nc3ccnn3-c3ccccc3)C2)cc(=O)[n-]1 ZINC000299791573 570896645 /nfs/dbraw/zinc/89/66/45/570896645.db2.gz DJBFJRAYHBIBTJ-HNNXBMFYSA-N -1 3 378.436 3.088 50 0 GGAAHM Cc1nc(CNC(=O)c2ccc(-c3nc(C)c4c(n3)CCCC4)cc2)cc(=O)[n-]1 ZINC000534583338 570903505 /nfs/dbraw/zinc/90/35/05/570903505.db2.gz NUOUESMBCXQEQZ-UHFFFAOYSA-N -1 3 389.459 3.065 50 0 GGAAHM Cc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OCc3ccccc3F)cc1)CC(=O)N2 ZINC000017028861 570937755 /nfs/dbraw/zinc/93/77/55/570937755.db2.gz SEOMDAPRMHWTSV-MRXNPFEDSA-N -1 3 379.391 3.271 50 0 GGAAHM Cc1c([O-])ccc2c(C)c(CCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)c(=O)oc12 ZINC000002112188 570950595 /nfs/dbraw/zinc/95/05/95/570950595.db2.gz BPXMFZBVPOADGH-WAIKUNEKSA-N -1 3 399.487 3.202 50 0 biogenic GGAAHM COc1ccccc1CCNC(=O)Cc1c(C)c2ccc([O-])c(C)c2oc1=O ZINC000004742768 570956930 /nfs/dbraw/zinc/95/69/30/570956930.db2.gz KDKPMKPEKUWXNN-UHFFFAOYSA-N -1 3 381.428 3.025 50 0 GGAAHM Cc1c([O-])ccc2c(C)c(CCC(=O)NCc3ccc4c(c3)OCO4)c(=O)oc12 ZINC000004743401 570957499 /nfs/dbraw/zinc/95/74/99/570957499.db2.gz HOTQRVYVYHZIGN-UHFFFAOYSA-N -1 3 395.411 3.093 50 0 GGAAHM Cc1ccc(C([O-])=C2[C@@H](c3cccs3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000004144266 570964015 /nfs/dbraw/zinc/96/40/15/570964015.db2.gz UCMYEYOMPOHFNP-WOSRLPQWSA-N -1 3 384.379 3.160 50 0 GGAAHM CCCCN1C[C@]2(CCCN(Cc3ccc(OC)c(C(=O)[O-])c3)C2)CCC1=O ZINC000091390941 571005895 /nfs/dbraw/zinc/00/58/95/571005895.db2.gz WAPXRQLGPVCOSK-JOCHJYFZSA-N -1 3 388.508 3.398 50 0 GGAAHM C[C@@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000091781827 571030732 /nfs/dbraw/zinc/03/07/32/571030732.db2.gz NKMGMCWHKMSCJH-NRFANRHFSA-N -1 3 378.432 3.172 50 0 GGAAHM O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cnc(-c2ccccc2)[n-]c1=O ZINC000092036862 571041921 /nfs/dbraw/zinc/04/19/21/571041921.db2.gz DKCAYBXBMXISGJ-KRWDZBQOSA-N -1 3 378.432 3.009 50 0 GGAAHM O=C(Oc1ccccc1)N1CCC(C[N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000043957029 571049017 /nfs/dbraw/zinc/04/90/17/571049017.db2.gz TYUWYYJJPXCARC-UHFFFAOYSA-N -1 3 392.452 3.015 50 0 GGAAHM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(Cc1cccc(-c3ccccc3)c1)CC2 ZINC000095354901 571051487 /nfs/dbraw/zinc/05/14/87/571051487.db2.gz ZZZDOIYCRORASM-HXUWFJFHSA-N -1 3 378.472 3.251 50 0 GGAAHM O=C([O-])[C@@]12CN(Cc3cncn3C3CCCCC3)C[C@@H]1c1ccccc1OC2 ZINC000095356993 571052747 /nfs/dbraw/zinc/05/27/47/571052747.db2.gz DJBMSRKMKFXDNY-DENIHFKCSA-N -1 3 381.476 3.451 50 0 GGAAHM COc1ccc(F)c([C@@H](C(=O)[O-])N2CCCN(c3ccc(F)cc3)CC2)c1 ZINC000095361643 571055545 /nfs/dbraw/zinc/05/55/45/571055545.db2.gz MMFQZQBXXVDQFK-IBGZPJMESA-N -1 3 376.403 3.311 50 0 GGAAHM COc1cccc([C@H]2CN(C(=O)c3ccc([O-])cc3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000095364427 571057475 /nfs/dbraw/zinc/05/74/75/571057475.db2.gz IRBBBEASIPPLAO-YPAWHYETSA-N -1 3 378.472 3.103 50 0 GGAAHM O=C(c1ccc([O-])cc1)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095366454 571058524 /nfs/dbraw/zinc/05/85/24/571058524.db2.gz BMGQTRPCMVBZBZ-IOMROCGXSA-N -1 3 384.426 3.373 50 0 GGAAHM COc1cccc([C@H]2CN(C(=O)c3cccc([O-])c3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000095374707 571063663 /nfs/dbraw/zinc/06/36/63/571063663.db2.gz NOTLYBYYZZRYTD-YPAWHYETSA-N -1 3 378.472 3.103 50 0 GGAAHM COc1ccc([C@@H]2CN(C(=O)c3ccc([O-])cc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095383733 571069206 /nfs/dbraw/zinc/06/92/06/571069206.db2.gz ALDQHVPXTXFQDT-BHDDXSALSA-N -1 3 378.472 3.103 50 0 GGAAHM Cc1ccc([O-])c(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000095388770 571071751 /nfs/dbraw/zinc/07/17/51/571071751.db2.gz HSQMZYSBEWAPMO-KSEOMHKRSA-N -1 3 378.472 3.109 50 0 GGAAHM COc1ccc(-c2nnc3c4cnn(-c5ccc(Cl)cc5)c4ncn32)c([O-])c1 ZINC000002339607 1398307832 /nfs/dbraw/zinc/30/78/32/1398307832.db2.gz WQFNRHRHPIETOP-UHFFFAOYSA-N -1 3 392.806 3.498 50 0 GGAAHM COc1ccc(-c2nnc3c4cnn(-c5ccc(C)c(C)c5)c4ncn32)c([O-])c1 ZINC000002360842 1398308239 /nfs/dbraw/zinc/30/82/39/1398308239.db2.gz KLBHKSCOKDMAQR-UHFFFAOYSA-N -1 3 386.415 3.461 50 0 GGAAHM COc1ccc(CCNC(=O)Cc2c(C)c3ccc([O-])c(C)c3oc2=O)cc1 ZINC000004086728 1398379466 /nfs/dbraw/zinc/37/94/66/1398379466.db2.gz NLCUPIZGQXQSPS-UHFFFAOYSA-N -1 3 381.428 3.025 50 0 biogenic GGAAHM O=C([O-])[C@H](CC(=O)Nc1ccc(Oc2ccccc2)cc1)NCc1ccccn1 ZINC000004189762 1398382222 /nfs/dbraw/zinc/38/22/22/1398382222.db2.gz GWPPMINUEMZESR-FQEVSTJZSA-N -1 3 391.427 3.446 50 0 GGAAHM CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(OC)nn3)c2)cc1 ZINC000005204182 1398420713 /nfs/dbraw/zinc/42/07/13/1398420713.db2.gz MNKWYVFGXZSDHS-UHFFFAOYSA-N -1 3 385.445 3.352 50 0 GGAAHM O=C1[C@@H]2C(c3ccc(F)cc3)=NOC2=C([O-])N1c1cccc(C(F)(F)F)c1 ZINC000008378311 1398827875 /nfs/dbraw/zinc/82/78/75/1398827875.db2.gz LIJHUPDOOHISDH-UKRRQHHQSA-N -1 3 378.281 3.137 50 0 GGAAHM Cc1cc(C)nc(-n2nc3[n-]cc4c(c-3c2=O)C[C@H](c2ccccc2C)CC4=O)n1 ZINC000009047140 1398852388 /nfs/dbraw/zinc/85/23/88/1398852388.db2.gz CFYJVPAAVZUFIE-HNNXBMFYSA-N -1 3 399.454 3.342 50 0 GGAAHM CCC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@H]1c1ccccc1F ZINC000010233920 1398881870 /nfs/dbraw/zinc/88/18/70/1398881870.db2.gz TULUYGQJJPAJNJ-SFHVURJKSA-N -1 3 389.452 3.285 50 0 GGAAHM CCOc1nn(CC)cc1C(=O)[N-]c1nnc(SCc2ccccn2)s1 ZINC000021011522 1399361196 /nfs/dbraw/zinc/36/11/96/1399361196.db2.gz XUSBXNIWRBPOGT-UHFFFAOYSA-N -1 3 390.494 3.093 50 0 GGAAHM Cc1c(=O)[n-]c(-c2cccc(CN3CC(n4cccn4)C3)c2)nc1C(F)(F)F ZINC000048368605 1405167285 /nfs/dbraw/zinc/16/72/85/1405167285.db2.gz LSPQDSDWMBHYNC-UHFFFAOYSA-N -1 3 389.381 3.430 50 0 GGAAHM COc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCCC2)cc1O ZINC000095473234 1410313128 /nfs/dbraw/zinc/31/31/28/1410313128.db2.gz CMOODGPFXSTTTQ-MRXNPFEDSA-N -1 3 375.450 3.430 50 0 GGAAHM COc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C2CCCC2)cc1O ZINC000095473235 1410313408 /nfs/dbraw/zinc/31/34/08/1410313408.db2.gz CMOODGPFXSTTTQ-INIZCTEOSA-N -1 3 375.450 3.430 50 0 GGAAHM COc1cc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3C(C)C)cc(OC)c1OC ZINC000095475380 1410313897 /nfs/dbraw/zinc/31/38/97/1410313897.db2.gz JNBAQBUPKVCSTH-INIZCTEOSA-N -1 3 393.465 3.207 50 0 GGAAHM COc1cc(OC)c([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3C(C)C)cc1OC ZINC000095479309 1410314793 /nfs/dbraw/zinc/31/47/93/1410314793.db2.gz REWZAMMJNYPZAI-MRXNPFEDSA-N -1 3 393.465 3.207 50 0 GGAAHM Cc1noc(C)c1S(=O)(=O)[N-]CCn1nc(-c2ccsc2)cc1C1CC1 ZINC000217882344 1433364527 /nfs/dbraw/zinc/36/45/27/1433364527.db2.gz UJFWTJIGYBIFPR-UHFFFAOYSA-N -1 3 392.506 3.072 50 0 GGAAHM