smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1n[nH]cc1C(=O)[N-]NC(=O)C(C)(C)N1CCN(C(=O)[O-])CC1 ZINC000830677376 603768894 /nfs/dbraw/zinc/76/88/94/603768894.db2.gz GBWLAAYTNNTDMM-UHFFFAOYSA-N -2 3 338.368 -0.447 20 50 EBGDHL O=C([O-])NCC(=O)N[N-]C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000834203459 605557991 /nfs/dbraw/zinc/55/79/91/605557991.db2.gz QFCSKQCRGGCBHY-UHFFFAOYSA-N -2 3 326.221 -0.648 20 50 EBGDHL O=C([O-])NCCCC(=O)[N-][N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000834231689 605804559 /nfs/dbraw/zinc/80/45/59/605804559.db2.gz KBAHRUJRMBRZJL-UHFFFAOYSA-N -3 3 346.321 -0.048 20 50 EBGDHL O=C([O-])Cn1cc(C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)nn1 ZINC000823387303 607171724 /nfs/dbraw/zinc/17/17/24/607171724.db2.gz IBHVGIWIFSNTIS-UHFFFAOYSA-N -2 3 341.291 -0.693 20 50 EBGDHL O=C([O-])Cn1cc(C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)nn1 ZINC000823387303 607171725 /nfs/dbraw/zinc/17/17/25/607171725.db2.gz IBHVGIWIFSNTIS-UHFFFAOYSA-N -2 3 341.291 -0.693 20 50 EBGDHL O=C([N-]NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1nccn2ccnc12 ZINC000823277408 946401805 /nfs/dbraw/zinc/40/18/05/946401805.db2.gz MAIBPXZOOPOFEP-UHFFFAOYSA-N -2 3 349.314 -0.016 20 50 EBGDHL O=C([N-]NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1nccn2ccnc12 ZINC000823277408 946401814 /nfs/dbraw/zinc/40/18/14/946401814.db2.gz MAIBPXZOOPOFEP-UHFFFAOYSA-N -2 3 349.314 -0.016 20 50 EBGDHL Cc1ccc(C(=O)NNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)c([O-])c1 ZINC001594347141 958326561 /nfs/dbraw/zinc/32/65/61/958326561.db2.gz YEJLCLTTZIBTQP-LLVKDONJSA-N -2 3 349.343 -0.215 20 50 EBGDHL Cn1cc(C(=O)[N-][N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cn1 ZINC000739021708 978612499 /nfs/dbraw/zinc/61/24/99/978612499.db2.gz AKQFWBGJMYFMIL-UHFFFAOYSA-N -3 3 342.308 -0.119 20 50 EBGDHL CC1(C)Cc2cc(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])ccc2O1 ZINC000833562893 605599347 /nfs/dbraw/zinc/59/93/47/605599347.db2.gz ZYPJBKLFBMRUOZ-UHFFFAOYSA-N -3 3 343.361 -0.023 20 50 EBGDHL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-][N-]C(=O)CNC(=O)[O-] ZINC000833922715 606079868 /nfs/dbraw/zinc/07/98/68/606079868.db2.gz QMMYDLYUZDCADZ-UHFFFAOYSA-N -3 3 347.397 -0.267 20 50 EBGDHL O=C([O-])c1ccc(C(=O)[N-]NC(=O)[C@@H]2CCc3nncn3C2)nc1 ZINC001595220992 949247249 /nfs/dbraw/zinc/24/72/49/949247249.db2.gz UGPNJMDEUUOURR-SECBINFHSA-N -2 3 330.304 -0.605 20 50 EBGDHL O=C([O-])CN1CCC[C@H](C(=O)NN=c2ncc(Cl)c[n-]2)C1=O ZINC001595083357 951708214 /nfs/dbraw/zinc/70/82/14/951708214.db2.gz PKMQHYCUBAYDCW-MRVPVSSYSA-N -2 3 327.728 -0.104 20 50 EBGDHL COCCCNC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000266751114 962758664 /nfs/dbraw/zinc/75/86/64/962758664.db2.gz CQEYPRSMXXJGEH-UHFFFAOYSA-N -3 3 335.338 -0.185 20 50 EBGDHL O=C([O-])Cc1ccc(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)cc1 ZINC000267207958 962763489 /nfs/dbraw/zinc/76/34/89/962763489.db2.gz RTZZXPCNXHCLJV-UHFFFAOYSA-N -3 3 343.361 -0.451 20 50 EBGDHL Cn1cc(C(=O)[N-][N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cn1 ZINC000739022471 978613329 /nfs/dbraw/zinc/61/33/29/978613329.db2.gz HIYAIJHOMXXUOM-UHFFFAOYSA-N -3 3 342.308 -0.119 20 50 EBGDHL COC(=O)CNC(=O)[N-][N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001598865102 996702801 /nfs/dbraw/zinc/70/28/01/996702801.db2.gz QVUPUDHPIJDBQU-UHFFFAOYSA-N -3 3 331.306 -0.950 20 50 EBGDHL Cc1oc(S(=O)(=O)[N-][N-]C(=O)c2cnn(C)c2)cc1C(=O)[O-] ZINC000833027004 601234082 /nfs/dbraw/zinc/23/40/82/601234082.db2.gz MXLBRHKUQNUVEB-UHFFFAOYSA-N -3 3 328.306 -0.357 20 50 EBGDHL O=C([O-])NCC(=O)NCC(=O)NN=c1ccc(C(F)(F)F)n[n-]1 ZINC000834197778 605395128 /nfs/dbraw/zinc/39/51/28/605395128.db2.gz AYVNBLZROJALBZ-UHFFFAOYSA-N -2 3 336.230 -0.678 20 50 EBGDHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-] ZINC000833669435 605599306 /nfs/dbraw/zinc/59/93/06/605599306.db2.gz FIYBFBPDZJIAEV-UHFFFAOYSA-N -4 3 345.333 -0.476 20 50 EBGDHL O=C(COc1ccc(-c2nn[n-]n2)cc1)N[N-]C(=O)c1cnco1 ZINC000826417543 607965123 /nfs/dbraw/zinc/96/51/23/607965123.db2.gz VHGUVFWJCMDPEY-UHFFFAOYSA-N -2 3 329.276 -0.305 20 50 EBGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cnn2cccnc12 ZINC000738134245 945217513 /nfs/dbraw/zinc/21/75/13/945217513.db2.gz HSDUUJVHCQSVNC-UHFFFAOYSA-N -2 3 349.314 -0.016 20 50 EBGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cnn2cccnc12 ZINC000738134245 945217523 /nfs/dbraw/zinc/21/75/23/945217523.db2.gz HSDUUJVHCQSVNC-UHFFFAOYSA-N -2 3 349.314 -0.016 20 50 EBGDHL O=C(CN1C[C@@H]2COC[C@]2(C(=O)[O-])C1)N[N-]C(=O)c1cccs1 ZINC001118569083 957175784 /nfs/dbraw/zinc/17/57/84/957175784.db2.gz QMCWCLOKYINOCB-YMTOWFKASA-N -2 3 339.373 -0.458 20 50 EBGDHL O=C([O-])COCCOCCNC(=O)NN=c1ncc(Cl)c[n-]1 ZINC001574731849 962845329 /nfs/dbraw/zinc/84/53/29/962845329.db2.gz WFMZKNMDJURWRQ-UHFFFAOYSA-N -2 3 333.732 -0.126 20 50 EBGDHL Cn1cc(C(=O)[N-][N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cn1 ZINC000768502560 978739182 /nfs/dbraw/zinc/73/91/82/978739182.db2.gz CTLMQRZQTHDRPQ-UHFFFAOYSA-N -3 3 342.308 -0.119 20 50 EBGDHL O=C([O-])Cn1cc(S(=O)(=O)[N-][N-]C(=O)c2ccccc2F)cn1 ZINC000833274945 600671905 /nfs/dbraw/zinc/67/19/05/600671905.db2.gz NWYPYFLKVASHKF-UHFFFAOYSA-N -3 3 342.308 -0.270 20 50 EBGDHL Cc1n[nH]cc1C(=O)[N-]NC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000830677815 605301856 /nfs/dbraw/zinc/30/18/56/605301856.db2.gz JZFPJULSNFCXJE-SECBINFHSA-N -2 3 325.325 -0.362 20 50 EBGDHL O=C([O-])NCC(=O)NCC(=O)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000834199350 605363386 /nfs/dbraw/zinc/36/33/86/605363386.db2.gz ZFVRNCSKUCUHSN-UHFFFAOYSA-N -2 3 345.315 -0.620 20 50 EBGDHL O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000834203823 605393460 /nfs/dbraw/zinc/39/34/60/605393460.db2.gz FLOROMPGUYSFPX-UHFFFAOYSA-N -3 3 339.333 -0.551 20 50 EBGDHL NC(=O)C[C@H](NC(=O)[O-])C(=O)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000833982307 605666164 /nfs/dbraw/zinc/66/61/64/605666164.db2.gz LEBGKKRBVVAQJP-NSHDSACASA-N -2 3 345.315 -0.493 20 50 EBGDHL Cc1cc(C)n(CC(=O)N[N-]C(=O)c2ccc(-c3nn[n-]n3)cn2)n1 ZINC000737254308 945022745 /nfs/dbraw/zinc/02/27/45/945022745.db2.gz CEMQUGMMDMDAMG-UHFFFAOYSA-N -2 3 341.335 -0.464 20 50 EBGDHL Cn1cc(S(=O)(=O)[N-][N-]C(=O)[C@@H]2CCCS2)cc1C(=O)[O-] ZINC000818051846 978907448 /nfs/dbraw/zinc/90/74/48/978907448.db2.gz FCSJFWCISVJFRH-VIFPVBQESA-N -3 3 333.391 -0.072 20 50 EBGDHL C[C@H](CC(=O)NNC(=O)[O-])/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000824671894 603217914 /nfs/dbraw/zinc/21/79/14/603217914.db2.gz NOVVBNHCQPSFBX-SSDOTTSWSA-N -2 3 326.334 -0.198 20 50 EBGDHL Cc1n[nH]cc1C(=O)[N-]NC(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000830677818 605301726 /nfs/dbraw/zinc/30/17/26/605301726.db2.gz JZFPJULSNFCXJE-VIFPVBQESA-N -2 3 325.325 -0.362 20 50 EBGDHL COC(=O)c1ccc(S(=O)(=O)[N-][N-]C(=O)CNC(=O)[O-])cc1C ZINC000833879994 605391632 /nfs/dbraw/zinc/39/16/32/605391632.db2.gz CRBHNBYRWSAXAP-UHFFFAOYSA-N -3 3 345.333 -0.641 20 50 EBGDHL O=C([O-])NCCCC(=O)NNC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000834231725 605995453 /nfs/dbraw/zinc/99/54/53/605995453.db2.gz RSSBCPCUYKDZOH-UHFFFAOYSA-N -2 3 338.320 -0.683 20 50 EBGDHL COCCCNC(=O)N[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821687868 945813030 /nfs/dbraw/zinc/81/30/30/945813030.db2.gz SNGCSGCJLUGYMA-UHFFFAOYSA-N -2 3 325.354 -0.091 20 50 EBGDHL O=C([N-]NC(=O)c1cccc(-c2nnn[n-]2)c1)c1nccn2ccnc12 ZINC000823277430 946402226 /nfs/dbraw/zinc/40/22/26/946402226.db2.gz MUPFSWBCWTYTRU-UHFFFAOYSA-N -2 3 349.314 -0.016 20 50 EBGDHL O=C([N-]NC(=O)c1cccc(-c2nn[n-]n2)c1)c1nccn2ccnc12 ZINC000823277430 946402231 /nfs/dbraw/zinc/40/22/31/946402231.db2.gz MUPFSWBCWTYTRU-UHFFFAOYSA-N -2 3 349.314 -0.016 20 50 EBGDHL Cc1ncsc1C(=O)[N-]NC(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826331486 947962869 /nfs/dbraw/zinc/96/28/69/947962869.db2.gz KPINEDHZFOVOFZ-UHFFFAOYSA-N -2 3 348.348 -0.068 20 50 EBGDHL Cc1ncsc1C(=O)[N-]NC(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826331486 947962873 /nfs/dbraw/zinc/96/28/73/947962873.db2.gz KPINEDHZFOVOFZ-UHFFFAOYSA-N -2 3 348.348 -0.068 20 50 EBGDHL O=C([O-])c1cn(CC(=O)N[N-]C(=O)c2ccc3ccccc3n2)nn1 ZINC000833120785 601272227 /nfs/dbraw/zinc/27/22/27/601272227.db2.gz FIYMXSKCNHILOA-UHFFFAOYSA-N -2 3 340.299 -0.014 20 50 EBGDHL O=C([O-])NCC(=O)N[N-]C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000834203410 605468049 /nfs/dbraw/zinc/46/80/49/605468049.db2.gz PSAGBUIKPSUTSU-UHFFFAOYSA-N -2 3 340.277 -0.372 20 50 EBGDHL O=C([O-])NCCCC(=O)[N-][N-]S(=O)(=O)c1cccc2nonc21 ZINC000834230853 605802986 /nfs/dbraw/zinc/80/29/86/605802986.db2.gz DNZSTUOKIRTGSA-UHFFFAOYSA-N -3 3 343.321 -0.420 20 50 EBGDHL O=C(CNc1ccc(-c2nnn[n-]2)cn1)N[N-]C(=O)c1ccccn1 ZINC000826414407 608215114 /nfs/dbraw/zinc/21/51/14/608215114.db2.gz UMKNPZJDDKEKGN-UHFFFAOYSA-N -2 3 339.319 -0.470 20 50 EBGDHL O=C(CNc1ccc(-c2nn[n-]n2)cn1)N[N-]C(=O)c1ccccn1 ZINC000826414407 608215115 /nfs/dbraw/zinc/21/51/15/608215115.db2.gz UMKNPZJDDKEKGN-UHFFFAOYSA-N -2 3 339.319 -0.470 20 50 EBGDHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[N-]C(=O)c1cn[nH]n1 ZINC000736182422 944756591 /nfs/dbraw/zinc/75/65/91/944756591.db2.gz FIHGLDQSVKKCMO-ZETCQYMHSA-N -2 3 343.307 -0.787 20 50 EBGDHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[N-]C(=O)c1cn[nH]n1 ZINC000736182422 944756597 /nfs/dbraw/zinc/75/65/97/944756597.db2.gz FIHGLDQSVKKCMO-ZETCQYMHSA-N -2 3 343.307 -0.787 20 50 EBGDHL Cn1cc(C(=O)N[N-]C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cn1 ZINC000822670032 946150254 /nfs/dbraw/zinc/15/02/54/946150254.db2.gz ZDBKRQRNTHIZDO-UHFFFAOYSA-N -2 3 348.273 -0.047 20 50 EBGDHL O=C(COc1ccccc1-c1nnn[n-]1)N[N-]C(=O)c1ncccn1 ZINC000823049548 946293879 /nfs/dbraw/zinc/29/38/79/946293879.db2.gz GSDLBLRNONGJIV-UHFFFAOYSA-N -2 3 340.303 -0.503 20 50 EBGDHL O=C(COc1ccccc1-c1nn[n-]n1)N[N-]C(=O)c1ncccn1 ZINC000823049548 946293884 /nfs/dbraw/zinc/29/38/84/946293884.db2.gz GSDLBLRNONGJIV-UHFFFAOYSA-N -2 3 340.303 -0.503 20 50 EBGDHL CC(=O)c1[nH]c(CC(=O)N[N-]C(=O)c2cnn(C)c2)c(C(=O)[O-])c1C ZINC000736177391 978308015 /nfs/dbraw/zinc/30/80/15/978308015.db2.gz KXZVFYGDVHDOMN-UHFFFAOYSA-N -2 3 347.331 -0.039 20 50 EBGDHL Cn1cc(C(=O)[N-][N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cn1 ZINC000743260867 978677860 /nfs/dbraw/zinc/67/78/60/978677860.db2.gz FJZPYYCHVBXOFP-UHFFFAOYSA-N -3 3 342.308 -0.119 20 50 EBGDHL COC(=O)CNC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000779847189 978784801 /nfs/dbraw/zinc/78/48/01/978784801.db2.gz WIGWDRKYLYZSRC-UHFFFAOYSA-N -3 3 331.306 -0.950 20 50 EBGDHL NC(=O)c1ccc(=NNC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])[n-]n1 ZINC000831233783 603803381 /nfs/dbraw/zinc/80/33/81/603803381.db2.gz IMLFCQRJLUCRJQ-MRVPVSSYSA-N -2 3 338.324 -0.822 20 50 EBGDHL N#Cc1cccc(S(=O)(=O)[N-][N-]C(=O)CCCNC(=O)[O-])c1 ZINC000833977129 605803621 /nfs/dbraw/zinc/80/36/21/605803621.db2.gz VNNGGTCIHBDPMY-UHFFFAOYSA-N -3 3 326.334 -0.084 20 50 EBGDHL Nc1nccnc1C(=O)[N-]NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737775791 945124654 /nfs/dbraw/zinc/12/46/54/945124654.db2.gz CGONRMAXWCYZAK-UHFFFAOYSA-N -2 3 325.292 -0.686 20 50 EBGDHL Nc1nccnc1C(=O)[N-]NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737775791 945124660 /nfs/dbraw/zinc/12/46/60/945124660.db2.gz CGONRMAXWCYZAK-UHFFFAOYSA-N -2 3 325.292 -0.686 20 50 EBGDHL O=C(C=Cc1ccccc1-c1nn[n-]n1)N[N-]C(=O)c1cn[nH]n1 ZINC000737801062 945127053 /nfs/dbraw/zinc/12/70/53/945127053.db2.gz LOBWMLICCPAPBW-AATRIKPKSA-N -2 3 325.292 -0.541 20 50 EBGDHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-][N-]C(=O)N1CCOCC1 ZINC000268668299 962765377 /nfs/dbraw/zinc/76/53/77/962765377.db2.gz ZGZMSIVFGXWCMW-UHFFFAOYSA-N -3 3 343.361 -0.072 20 50 EBGDHL COCCCNC(=O)[N-][N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000299225410 962934757 /nfs/dbraw/zinc/93/47/57/962934757.db2.gz AJGYKHQMZVXOBC-UHFFFAOYSA-N -3 3 337.379 -0.025 20 50 EBGDHL O=C([O-])CN1CCN(CC(=O)N[N-]C(=O)c2cccs2)CC1 ZINC000314207941 963725197 /nfs/dbraw/zinc/72/51/97/963725197.db2.gz JXGMWKKTTUEBEK-UHFFFAOYSA-N -2 3 326.378 -0.789 20 50 EBGDHL Cc1n[nH]cc1C(=O)[N-]NC(=O)[C@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000830678236 603768776 /nfs/dbraw/zinc/76/87/76/603768776.db2.gz NEDRJGCCLZYVJM-IONNQARKSA-N -2 3 325.325 -0.017 20 50 EBGDHL NC(=O)C[C@@H](NC(=O)[O-])C(=O)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000833982306 605665947 /nfs/dbraw/zinc/66/59/47/605665947.db2.gz LEBGKKRBVVAQJP-LLVKDONJSA-N -2 3 345.315 -0.493 20 50 EBGDHL Cn1cc(C(=O)[N-]NC(=O)C[C@H]2CSCCN2C(=O)[O-])cn1 ZINC000830989200 605695439 /nfs/dbraw/zinc/69/54/39/605695439.db2.gz LNXAIIRWWRCWAU-VIFPVBQESA-N -2 3 327.366 -0.333 20 50 EBGDHL O=C([O-])NCCCC(=O)N[N-]C(=O)c1sccc1-n1cnnn1 ZINC000834232334 605975406 /nfs/dbraw/zinc/97/54/06/605975406.db2.gz SCDADWYKOSZHQQ-UHFFFAOYSA-N -2 3 339.337 -0.467 20 50 EBGDHL Cn1ccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000737610980 945102187 /nfs/dbraw/zinc/10/21/87/945102187.db2.gz CDHUMKYCDNVMMY-UHFFFAOYSA-N -2 3 348.348 -0.777 20 50 EBGDHL Cn1ccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000737610980 945102191 /nfs/dbraw/zinc/10/21/91/945102191.db2.gz CDHUMKYCDNVMMY-UHFFFAOYSA-N -2 3 348.348 -0.777 20 50 EBGDHL Cn1cccc1C(=O)N[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000737611966 945102629 /nfs/dbraw/zinc/10/26/29/945102629.db2.gz FVAGIWDULYOGAT-UHFFFAOYSA-N -2 3 347.360 -0.172 20 50 EBGDHL Cn1cccc1C(=O)N[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000737611966 945102631 /nfs/dbraw/zinc/10/26/31/945102631.db2.gz FVAGIWDULYOGAT-UHFFFAOYSA-N -2 3 347.360 -0.172 20 50 EBGDHL O=C([N-]NC(=O)NCc1ccco1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738125011 945194867 /nfs/dbraw/zinc/19/48/67/945194867.db2.gz ZMYSVIAOPOFNJY-UHFFFAOYSA-N -2 3 328.292 -0.001 20 50 EBGDHL Cc1onc(CC(=O)N[N-]C(=O)c2ccccn2)c1-c1nnn[n-]1 ZINC000826348589 948078312 /nfs/dbraw/zinc/07/83/12/948078312.db2.gz UNWJUCGYKWRCQY-UHFFFAOYSA-N -2 3 328.292 -0.438 20 50 EBGDHL COC[C@]1(C(=O)[O-])CCN(CC(=O)N[N-]C(=O)c2cccs2)C1 ZINC000391946674 968194888 /nfs/dbraw/zinc/19/48/88/968194888.db2.gz WTSMGWQIIMELQO-AWEZNQCLSA-N -2 3 341.389 -0.068 20 50 EBGDHL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)N1CCOCC1 ZINC001597785938 989308271 /nfs/dbraw/zinc/30/82/71/989308271.db2.gz VGLZQKPGVMERFZ-UHFFFAOYSA-N -3 3 347.349 -0.225 20 50 EBGDHL Cn1ccc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737611787 945102903 /nfs/dbraw/zinc/10/29/03/945102903.db2.gz HJRNTBPQGWOKKL-UHFFFAOYSA-N -2 3 348.348 -0.777 20 50 EBGDHL Cn1ccc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737611787 945102907 /nfs/dbraw/zinc/10/29/07/945102907.db2.gz HJRNTBPQGWOKKL-UHFFFAOYSA-N -2 3 348.348 -0.777 20 50 EBGDHL COc1cc(C)[n-]c(=NNC(=O)Cc2noc(C)c2-c2nnn[n-]2)n1 ZINC000826178751 947552513 /nfs/dbraw/zinc/55/25/13/947552513.db2.gz KPPLVOKJPCENKI-UHFFFAOYSA-N -2 3 345.323 -0.044 20 50 EBGDHL Cn1cc(C(=O)[N-]NC(=O)C(=O)Nc2cccc(C(=O)[O-])c2)cn1 ZINC001594530384 955525337 /nfs/dbraw/zinc/52/53/37/955525337.db2.gz QGHMNNJUQLVYHQ-UHFFFAOYSA-N -2 3 331.288 -0.482 20 50 EBGDHL COC(=O)CNC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000272475947 962785175 /nfs/dbraw/zinc/78/51/75/962785175.db2.gz QCVHNXPOQNNBRB-UHFFFAOYSA-N -3 3 345.333 -0.641 20 50 EBGDHL C[C@@H]1Cc2cc(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])ccc2O1 ZINC000833632806 605599438 /nfs/dbraw/zinc/59/94/38/605599438.db2.gz OHUHPNRCTJHVLT-SSDOTTSWSA-N -3 3 329.334 -0.413 20 50 EBGDHL O=C([O-])NCCCC(=O)NN/C=C1/C(=O)[N-]C(=O)c2ccccc21 ZINC000834230844 605792206 /nfs/dbraw/zinc/79/22/06/605792206.db2.gz DFIYJJIEMKQDHD-DHZHZOJOSA-N -2 3 332.316 -0.034 20 50 EBGDHL CCCn1cc(C(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)nn1 ZINC000825356654 608314372 /nfs/dbraw/zinc/31/43/72/608314372.db2.gz CMBSRGJTHIPXQE-UHFFFAOYSA-N -2 3 341.335 -0.057 20 50 EBGDHL CCCn1cc(C(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000825356654 608314373 /nfs/dbraw/zinc/31/43/73/608314373.db2.gz CMBSRGJTHIPXQE-UHFFFAOYSA-N -2 3 341.335 -0.057 20 50 EBGDHL Cc1nc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)c[nH]1 ZINC000737498578 945082790 /nfs/dbraw/zinc/08/27/90/945082790.db2.gz IMTYDXZHMWPWAL-UHFFFAOYSA-N -2 3 348.348 -0.478 20 50 EBGDHL Cc1nc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)c[nH]1 ZINC000737498578 945082797 /nfs/dbraw/zinc/08/27/97/945082797.db2.gz IMTYDXZHMWPWAL-UHFFFAOYSA-N -2 3 348.348 -0.478 20 50 EBGDHL Cc1nnc(NNC(=O)Cc2cccc(-c3nnn[n-]3)c2)[n-]c1=O ZINC000822516096 946108096 /nfs/dbraw/zinc/10/80/96/946108096.db2.gz UXIONNCVIDPBBE-UHFFFAOYSA-N -2 3 327.308 -0.248 20 50 EBGDHL Cc1nnc(NNC(=O)Cc2cccc(-c3nn[n-]n3)c2)[n-]c1=O ZINC000822516096 946108110 /nfs/dbraw/zinc/10/81/10/946108110.db2.gz UXIONNCVIDPBBE-UHFFFAOYSA-N -2 3 327.308 -0.248 20 50 EBGDHL COCc1ccc(OC)c(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])c1 ZINC001599295286 997129533 /nfs/dbraw/zinc/12/95/33/997129533.db2.gz SYVUKZZFMSWZTE-UHFFFAOYSA-N -3 3 347.349 -0.581 20 50 EBGDHL O=C([O-])Cn1cc(S(=O)(=O)[N-][N-]C(=O)NC2CCCCC2)cn1 ZINC000833275393 600672019 /nfs/dbraw/zinc/67/20/19/600672019.db2.gz XZBVZMABKMPYPI-UHFFFAOYSA-N -3 3 345.381 -0.207 20 50 EBGDHL COC(=O)c1cc(C(=O)[N-]NC(=O)NCCNC(=O)[O-])ccn1 ZINC000828739711 603539225 /nfs/dbraw/zinc/53/92/25/603539225.db2.gz OHCMQCLZNPNTSN-UHFFFAOYSA-N -2 3 325.281 -0.920 20 50 EBGDHL NC(=O)c1ccc(=NNC(=O)c2csc(CNC(=O)[O-])n2)[n-]n1 ZINC000831233905 603803374 /nfs/dbraw/zinc/80/33/74/603803374.db2.gz KDRCQOOGSJIQKQ-UHFFFAOYSA-N -2 3 337.321 -0.444 20 50 EBGDHL O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000834204072 605394900 /nfs/dbraw/zinc/39/49/00/605394900.db2.gz WLOSDLNHYZBKBW-UHFFFAOYSA-N -3 3 345.333 -0.575 20 50 EBGDHL Cn1cc(S(=O)(=O)[N-][N-]C(=O)CCCNC(=O)[O-])nc1Cl ZINC000833950310 605803583 /nfs/dbraw/zinc/80/35/83/605803583.db2.gz GBWKSUULIJZHKR-UHFFFAOYSA-N -3 3 339.761 -0.569 20 50 EBGDHL O=C([O-])Cn1cc(C=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)nn1 ZINC000823387767 607171629 /nfs/dbraw/zinc/17/16/29/607171629.db2.gz XAJLDPUBFANXNL-UHFFFAOYSA-N -2 3 341.291 -0.693 20 50 EBGDHL O=C([O-])Cn1cc(C=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000823387767 607171630 /nfs/dbraw/zinc/17/16/30/607171630.db2.gz XAJLDPUBFANXNL-UHFFFAOYSA-N -2 3 341.291 -0.693 20 50 EBGDHL Cc1nc(C(=O)[N-]NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c[nH]1 ZINC000826323416 607866211 /nfs/dbraw/zinc/86/62/11/607866211.db2.gz CXZVGVHCVAJUGJ-UHFFFAOYSA-N -2 3 342.319 -0.262 20 50 EBGDHL CN(C)CC(=O)N[N-]C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821583376 945725378 /nfs/dbraw/zinc/72/53/78/945725378.db2.gz SVSSEWJIJVNARV-UHFFFAOYSA-N -2 3 325.279 -0.533 20 50 EBGDHL Cn1cc(S(=O)(=O)[N-][N-]C(=O)[C@H]2CCCS2)cc1C(=O)[O-] ZINC000818051842 978907301 /nfs/dbraw/zinc/90/73/01/978907301.db2.gz FCSJFWCISVJFRH-SECBINFHSA-N -3 3 333.391 -0.072 20 50 EBGDHL CCC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(=O)OC ZINC001594712403 987175431 /nfs/dbraw/zinc/17/54/31/987175431.db2.gz KMOVCCTVJPCGDU-UHFFFAOYSA-N -3 3 330.318 -0.109 20 50 EBGDHL C[C@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1C(=O)N[N-]C(=O)c1cnn(C)c1 ZINC000826116464 603815295 /nfs/dbraw/zinc/81/52/95/603815295.db2.gz SONCWQUYESDBIF-APPZFPTMSA-N -2 3 325.325 -0.316 20 50 EBGDHL NC(=O)c1ccc(=NNC(=O)C[C@H]2CSCCN2C(=O)[O-])[n-]n1 ZINC000831233389 605326905 /nfs/dbraw/zinc/32/69/05/605326905.db2.gz DBFORXLTTDKNSK-ZETCQYMHSA-N -2 3 340.365 -0.496 20 50 EBGDHL Cc1cc(S(=O)(=O)[N-][N-]C(=O)CNC(=O)[O-])sc1C(=O)[O-] ZINC000833901077 605391656 /nfs/dbraw/zinc/39/16/56/605391656.db2.gz IFKADLQKBMLFFU-UHFFFAOYSA-N -4 3 337.335 -0.668 20 50 EBGDHL COC(=O)c1cccc(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])c1C ZINC000833716574 605599421 /nfs/dbraw/zinc/59/94/21/605599421.db2.gz MNZXVUGGUQQBBB-UHFFFAOYSA-N -3 3 345.333 -0.641 20 50 EBGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])cc1OC ZINC000833734247 605600849 /nfs/dbraw/zinc/60/08/49/605600849.db2.gz QKSJWGNCRHCMFX-UHFFFAOYSA-N -3 3 333.322 -0.719 20 50 EBGDHL Cn1cc(C(=O)[N-]NC(=O)C[C@@H]2CSCCN2C(=O)[O-])cn1 ZINC000830989198 605695772 /nfs/dbraw/zinc/69/57/72/605695772.db2.gz LNXAIIRWWRCWAU-SECBINFHSA-N -2 3 327.366 -0.333 20 50 EBGDHL O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1ccccc1-c1ccno1 ZINC000834203968 605944066 /nfs/dbraw/zinc/94/40/66/605944066.db2.gz PJLGMUWLPZXDKJ-UHFFFAOYSA-N -3 3 340.317 -0.081 20 50 EBGDHL O=C(N[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc[nH]1 ZINC000738133978 945214816 /nfs/dbraw/zinc/21/48/16/945214816.db2.gz BDPYXTYRFFFNFQ-UHFFFAOYSA-N -2 3 333.333 -0.182 20 50 EBGDHL O=C(N[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc[nH]1 ZINC000738133978 945214821 /nfs/dbraw/zinc/21/48/21/945214821.db2.gz BDPYXTYRFFFNFQ-UHFFFAOYSA-N -2 3 333.333 -0.182 20 50 EBGDHL Cc1c(C(=O)[N-]NC(=O)c2ccc(-c3nnn[n-]3)cc2)nnn1C ZINC000737214532 945013275 /nfs/dbraw/zinc/01/32/75/945013275.db2.gz KWGLPERJXRSEIZ-UHFFFAOYSA-N -2 3 327.308 -0.622 20 50 EBGDHL Cc1c(C(=O)[N-]NC(=O)c2ccc(-c3nn[n-]n3)cc2)nnn1C ZINC000737214532 945013284 /nfs/dbraw/zinc/01/32/84/945013284.db2.gz KWGLPERJXRSEIZ-UHFFFAOYSA-N -2 3 327.308 -0.622 20 50 EBGDHL O=C([O-])Cn1cc(S(=O)(=O)[N-][N-]C(=O)CCc2ccco2)cn1 ZINC000833275171 600678985 /nfs/dbraw/zinc/67/89/85/600678985.db2.gz ULKVTEAJLXQBLW-UHFFFAOYSA-N -3 3 342.333 -0.497 20 50 EBGDHL Cc1cc(S(=O)(=O)[N-][N-]C(=O)CNC(=O)[O-])cc(C(=O)[O-])c1F ZINC000833900938 605391766 /nfs/dbraw/zinc/39/17/66/605391766.db2.gz HIFPYKYURFEVKY-UHFFFAOYSA-N -4 3 349.296 -0.591 20 50 EBGDHL O=C([O-])c1ccc(C(=O)[N-]NC(=O)[C@H]2CCc3nncn3C2)nc1 ZINC001595220994 949247933 /nfs/dbraw/zinc/24/79/33/949247933.db2.gz UGPNJMDEUUOURR-VIFPVBQESA-N -2 3 330.304 -0.605 20 50 EBGDHL COCCCNC(=O)[N-][N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000267119003 962762933 /nfs/dbraw/zinc/76/29/33/962762933.db2.gz ALGNQDDFMHTPBJ-UHFFFAOYSA-N -3 3 345.377 -0.157 20 50 EBGDHL Cn1cc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000737609853 945102835 /nfs/dbraw/zinc/10/28/35/945102835.db2.gz KVKDQBHPZJBCPF-UHFFFAOYSA-N -2 3 348.348 -0.777 20 50 EBGDHL Cn1cc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000737609853 945102840 /nfs/dbraw/zinc/10/28/40/945102840.db2.gz KVKDQBHPZJBCPF-UHFFFAOYSA-N -2 3 348.348 -0.777 20 50 EBGDHL CC(=O)Nc1cncc(C(=O)[N-]NC(=O)CSCC(=O)[O-])c1 ZINC000817723514 955366218 /nfs/dbraw/zinc/36/62/18/955366218.db2.gz LPFFSCHORUOCAA-UHFFFAOYSA-N -2 3 326.334 -0.381 20 50 EBGDHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)N1CCOCC1 ZINC000266819585 962760770 /nfs/dbraw/zinc/76/07/70/962760770.db2.gz YRLLRTRKHTVTSU-UHFFFAOYSA-N -3 3 333.322 -0.479 20 50 EBGDHL O=C([O-])c1ccc(C(=O)[N-]NC(=O)CNC(=O)c2cccnc2)nc1 ZINC001605698843 974121595 /nfs/dbraw/zinc/12/15/95/974121595.db2.gz TUDQRRFHVTUEBN-UHFFFAOYSA-N -2 3 343.299 -0.634 20 50 EBGDHL 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609468699 /nfs/dbraw/zinc/46/86/99/609468699.db2.gz IYPMQGIWDMATFB-UHFFFAOYSA-N -2 3 331.296 -0.802 20 50 EBGDHL Cn1cc(C(=O)N[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cn1 ZINC000737601383 945100467 /nfs/dbraw/zinc/10/04/67/945100467.db2.gz CXWJEZWYKOMHDP-UHFFFAOYSA-N -2 3 348.348 -0.777 20 50 EBGDHL COC(=O)N[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821664961 945785962 /nfs/dbraw/zinc/78/59/62/945785962.db2.gz PWGAYNQNRQOXKN-UHFFFAOYSA-N -2 3 334.264 -0.306 20 50 EBGDHL COC(=O)N[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821664961 945785967 /nfs/dbraw/zinc/78/59/67/945785967.db2.gz PWGAYNQNRQOXKN-UHFFFAOYSA-N -2 3 334.264 -0.306 20 50 EBGDHL Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)c([O-])c1 ZINC001594347142 958326274 /nfs/dbraw/zinc/32/62/74/958326274.db2.gz YEJLCLTTZIBTQP-NSHDSACASA-N -2 3 349.343 -0.215 20 50 EBGDHL O=C([O-])Cc1cccc(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)c1 ZINC000290622040 962899098 /nfs/dbraw/zinc/89/90/98/962899098.db2.gz KNWLVIACNVZZLU-UHFFFAOYSA-N -3 3 343.361 -0.451 20 50 EBGDHL Cn1cc(S(=O)(=O)[N-][N-]C(=O)Cc2cccnc2)cc1C(=O)[O-] ZINC000728856296 978293926 /nfs/dbraw/zinc/29/39/26/978293926.db2.gz MQYCBJATOPYLAS-UHFFFAOYSA-N -3 3 338.345 -0.330 20 50 EBGDHL O=C([O-])N1CCC(NC(=O)N[N-]C(=O)c2ccc3nnnn3c2)CC1 ZINC000831742688 603987431 /nfs/dbraw/zinc/98/74/31/603987431.db2.gz NLMJQAXFFFSBRL-UHFFFAOYSA-N -2 3 348.323 -0.789 20 50 EBGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)N(C)C)c(OC)c1C(=O)[O-] ZINC000833734187 604861169 /nfs/dbraw/zinc/86/11/69/604861169.db2.gz MUXUOHJGSHVANL-UHFFFAOYSA-N -3 3 347.349 -0.134 20 50 EBGDHL NC(=O)c1ccc(=NNC(=O)CO[C@H]2CCCN(C(=O)[O-])C2)[n-]n1 ZINC000831234623 605396031 /nfs/dbraw/zinc/39/60/31/605396031.db2.gz SCXKMJOXFLCVKG-QMMMGPOBSA-N -2 3 338.324 -0.822 20 50 EBGDHL O=C([O-])NCC(=O)N[N-]C(=O)c1cnnn1-c1ccccc1Cl ZINC000834203415 605461742 /nfs/dbraw/zinc/46/17/42/605461742.db2.gz SVPMHFIILDNQFZ-UHFFFAOYSA-N -2 3 338.711 -0.051 20 50 EBGDHL Cn1cnc(S(=O)(=O)[N-][N-]C(=O)CCCNC(=O)[O-])c1Cl ZINC000833959241 605803689 /nfs/dbraw/zinc/80/36/89/605803689.db2.gz RCCBDZJUBNVLDV-UHFFFAOYSA-N -3 3 339.761 -0.569 20 50 EBGDHL Cn1nccc1S(=O)(=O)[N-]NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737628760 945103881 /nfs/dbraw/zinc/10/38/81/945103881.db2.gz POBHACHDOVHHAJ-UHFFFAOYSA-N -2 3 348.348 -0.777 20 50 EBGDHL Cn1nccc1S(=O)(=O)[N-]NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737628760 945103888 /nfs/dbraw/zinc/10/38/88/945103888.db2.gz POBHACHDOVHHAJ-UHFFFAOYSA-N -2 3 348.348 -0.777 20 50 EBGDHL O=C(CCc1ccc(-c2nn[n-]n2)cc1)N[N-]C(=O)c1cn[nH]n1 ZINC000737853530 945138679 /nfs/dbraw/zinc/13/86/79/945138679.db2.gz MPLKURUTHHZXTD-UHFFFAOYSA-N -2 3 327.308 -0.621 20 50 EBGDHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[N-]C(=O)c1cn[nH]n1 ZINC000736182421 944753103 /nfs/dbraw/zinc/75/31/03/944753103.db2.gz FIHGLDQSVKKCMO-SSDOTTSWSA-N -2 3 343.307 -0.787 20 50 EBGDHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[N-]C(=O)c1cn[nH]n1 ZINC000736182421 944753114 /nfs/dbraw/zinc/75/31/14/944753114.db2.gz FIHGLDQSVKKCMO-SSDOTTSWSA-N -2 3 343.307 -0.787 20 50 EBGDHL Cc1c(C(=O)[N-]NC(=O)c2cccc(-c3nnn[n-]3)c2)nnn1C ZINC000737214075 945012994 /nfs/dbraw/zinc/01/29/94/945012994.db2.gz DXCHRAYECAVNBP-UHFFFAOYSA-N -2 3 327.308 -0.622 20 50 EBGDHL Cc1c(C(=O)[N-]NC(=O)c2cccc(-c3nn[n-]n3)c2)nnn1C ZINC000737214075 945013002 /nfs/dbraw/zinc/01/30/02/945013002.db2.gz DXCHRAYECAVNBP-UHFFFAOYSA-N -2 3 327.308 -0.622 20 50 EBGDHL O=C([O-])Cn1cccc(C(=O)NNC(=O)c2ccccc2[O-])c1=O ZINC001595156320 952169371 /nfs/dbraw/zinc/16/93/71/952169371.db2.gz JFLTXLJEDKYZDZ-UHFFFAOYSA-N -2 3 331.284 -0.287 20 50 EBGDHL O=C([O-])c1ccc(C(=O)[N-]NC(=O)CNC(=O)c2ccco2)nc1 ZINC000739296451 978627487 /nfs/dbraw/zinc/62/74/87/978627487.db2.gz FGWACWGGQIRITH-UHFFFAOYSA-N -2 3 332.272 -0.436 20 50 EBGDHL NC(=O)c1ccc(=NNC(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])[n-]n1 ZINC000831233784 603803365 /nfs/dbraw/zinc/80/33/65/603803365.db2.gz IMLFCQRJLUCRJQ-QMMMGPOBSA-N -2 3 338.324 -0.822 20 50 EBGDHL CCC(=O)c1cccc(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])c1 ZINC000833636539 605599497 /nfs/dbraw/zinc/59/94/97/605599497.db2.gz VLKZTHPQESUNMV-UHFFFAOYSA-N -3 3 329.334 -0.144 20 50 EBGDHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][N-]C(=O)CCCNC(=O)[O-] ZINC000833934660 605803700 /nfs/dbraw/zinc/80/37/00/605803700.db2.gz NASQKJMMTUOJQT-UHFFFAOYSA-N -4 3 349.321 -0.356 20 50 EBGDHL O=C([O-])NCCCC(=O)NNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000834231310 605813661 /nfs/dbraw/zinc/81/36/61/605813661.db2.gz JVYOILQLKWCYFZ-UHFFFAOYSA-N -2 3 349.303 -0.229 20 50 EBGDHL CSCCNC(=S)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000826229153 608765199 /nfs/dbraw/zinc/76/51/99/608765199.db2.gz RKYZXDALEQDEKF-UHFFFAOYSA-N -2 3 338.422 -0.266 20 50 EBGDHL O=C([N-]NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccccn1 ZINC000826444538 609182620 /nfs/dbraw/zinc/18/26/20/609182620.db2.gz KMYCLGNQFPWNSY-GFCCVEGCSA-N -2 3 339.315 -0.244 20 50 EBGDHL O=C([N-]NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000826444538 609182622 /nfs/dbraw/zinc/18/26/22/609182622.db2.gz KMYCLGNQFPWNSY-GFCCVEGCSA-N -2 3 339.315 -0.244 20 50 EBGDHL Cn1cc(S(=O)(=O)[N-][N-]C(=O)Cc2ccccn2)cc1C(=O)[O-] ZINC000729664775 978295016 /nfs/dbraw/zinc/29/50/16/978295016.db2.gz VTDUDBOKAMSRHX-UHFFFAOYSA-N -3 3 338.345 -0.330 20 50 EBGDHL COCCCNC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000831697066 600813961 /nfs/dbraw/zinc/81/39/61/600813961.db2.gz XYENZNMFVPWDCD-UHFFFAOYSA-N -3 3 334.354 -0.748 20 50 EBGDHL Cc1n[nH]cc1C(=O)[N-]NC(=O)[C@@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000830678232 603769068 /nfs/dbraw/zinc/76/90/68/603769068.db2.gz NEDRJGCCLZYVJM-CBAPKCEASA-N -2 3 325.325 -0.017 20 50 EBGDHL Cc1n[nH]cc1C(=O)[N-]NC(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000830678174 605309506 /nfs/dbraw/zinc/30/95/06/605309506.db2.gz MSSJIZRGZMLLRD-MRVPVSSYSA-N -2 3 327.366 -0.035 20 50 EBGDHL COC(=O)c1ccc(S(=O)(=O)[N-][N-]C(=O)CNC(=O)[O-])c(C)c1 ZINC000833879938 605390889 /nfs/dbraw/zinc/39/08/89/605390889.db2.gz ASRARTPSSYFYIC-UHFFFAOYSA-N -3 3 345.333 -0.641 20 50 EBGDHL O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000834203787 605393276 /nfs/dbraw/zinc/39/32/76/605393276.db2.gz BGXFTBBELMGVJO-UHFFFAOYSA-N -3 3 330.347 -0.127 20 50 EBGDHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])c(C)c1C ZINC000833734281 605600442 /nfs/dbraw/zinc/60/04/42/605600442.db2.gz SYDHNJYKUIPGKO-UHFFFAOYSA-N -3 3 331.350 -0.111 20 50 EBGDHL Cn1c(Cl)ncc1S(=O)(=O)[N-][N-]C(=O)CCCNC(=O)[O-] ZINC000833942730 605801357 /nfs/dbraw/zinc/80/13/57/605801357.db2.gz AOCKJUVMOXXYAU-UHFFFAOYSA-N -3 3 339.761 -0.569 20 50 EBGDHL O=C(NN=c1ncc(F)c[n-]1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826449732 609257797 /nfs/dbraw/zinc/25/77/97/609257797.db2.gz HTDQMHUONUEQNR-SNVBAGLBSA-N -2 3 330.283 -0.028 20 50 EBGDHL Cn1ccc(C(=O)[N-]NC(=O)COc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737613348 945104760 /nfs/dbraw/zinc/10/47/60/945104760.db2.gz POMCFDZTEAKNQZ-UHFFFAOYSA-N -2 3 342.319 -0.560 20 50 EBGDHL COCCCNC(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821687940 945813730 /nfs/dbraw/zinc/81/37/30/945813730.db2.gz WSLFBCZFEXDSRT-UHFFFAOYSA-N -2 3 325.354 -0.091 20 50 EBGDHL CCNC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)[O-] ZINC001596470892 984194788 /nfs/dbraw/zinc/19/47/88/984194788.db2.gz NUYDZFHTGJVGGJ-UHFFFAOYSA-N -3 3 345.333 -0.316 20 50 EBGDHL Cn1cc(C(=O)[N-]NC(=O)NCCNC(=O)[O-])c(C(C)(C)C)n1 ZINC000833943092 605579587 /nfs/dbraw/zinc/57/95/87/605579587.db2.gz HEUJINBHQHFSGL-UHFFFAOYSA-N -2 3 326.357 -0.071 20 50 EBGDHL O=C(NN=c1ncc(F)c[n-]1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826449731 609257662 /nfs/dbraw/zinc/25/76/62/609257662.db2.gz HTDQMHUONUEQNR-JTQLQIEISA-N -2 3 330.283 -0.028 20 50 EBGDHL CNC(=O)N[N-]C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000826068842 609543558 /nfs/dbraw/zinc/54/35/58/609543558.db2.gz ZKOAAQCHSBIRFS-UHFFFAOYSA-N -2 3 341.335 -0.065 20 50 EBGDHL CNC(=O)N[N-]C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000826068842 609543561 /nfs/dbraw/zinc/54/35/61/609543561.db2.gz ZKOAAQCHSBIRFS-UHFFFAOYSA-N -2 3 341.335 -0.065 20 50 EBGDHL Cc1nonc1C(=O)[N-]NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000822530651 946116391 /nfs/dbraw/zinc/11/63/91/946116391.db2.gz LBDAYXFXDOAQIC-UHFFFAOYSA-N -2 3 344.291 -0.602 20 50 EBGDHL O=C(COc1ccc(-c2nn[n-]n2)cc1)N[N-]C(=O)c1ncccn1 ZINC000823037435 946289396 /nfs/dbraw/zinc/28/93/96/946289396.db2.gz XWZLISMEYLPVSZ-UHFFFAOYSA-N -2 3 340.303 -0.503 20 50 EBGDHL O=C([O-])Cn1cc(C(=O)[N-]NC(=O)c2cc(Cl)ccc2[O-])nn1 ZINC001595143795 952104669 /nfs/dbraw/zinc/10/46/69/952104669.db2.gz WXLIPWVHESOERC-UHFFFAOYSA-N -3 3 339.695 -0.204 20 50 EBGDHL Cn1cc(C(=O)[N-][N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cn1 ZINC000735459738 978301398 /nfs/dbraw/zinc/30/13/98/978301398.db2.gz CDRGHNUPRPDMJI-UHFFFAOYSA-N -3 3 330.347 -0.197 20 50 EBGDHL Cn1cc(C(=O)[N-][N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cn1 ZINC000735462834 978301558 /nfs/dbraw/zinc/30/15/58/978301558.db2.gz XFKJZCCZJLJCOE-UHFFFAOYSA-N -3 3 342.308 -0.119 20 50 EBGDHL NC(=O)c1ccc(=NNC(=O)C[C@@H]2CSCCN2C(=O)[O-])[n-]n1 ZINC000831233387 605326084 /nfs/dbraw/zinc/32/60/84/605326084.db2.gz DBFORXLTTDKNSK-SSDOTTSWSA-N -2 3 340.365 -0.496 20 50 EBGDHL O=C([O-])NCC(=O)[N-][N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000834204012 605394358 /nfs/dbraw/zinc/39/43/58/605394358.db2.gz RLRZIHYLPBTCSM-UHFFFAOYSA-N -3 3 341.301 -0.630 20 50 EBGDHL O=C(COc1ccc(-c2nn[n-]n2)cc1)N[N-]C(=O)c1c[nH]cn1 ZINC000737919878 945153906 /nfs/dbraw/zinc/15/39/06/945153906.db2.gz ZJWFBGANLHGKNV-UHFFFAOYSA-N -2 3 328.292 -0.570 20 50 EBGDHL Cc1ccc(S(=O)(=O)[N-][N-]C(=O)N2CCOCC2)cc1C(=O)[O-] ZINC000299461501 962937417 /nfs/dbraw/zinc/93/74/17/962937417.db2.gz XVTFKKLDVUEBKI-UHFFFAOYSA-N -3 3 343.361 -0.072 20 50 EBGDHL Cc1oc(C)c(S(=O)(=O)[N-][N-]C(=O)c2cnn(C)c2)c1C(=O)[O-] ZINC000738965677 978611081 /nfs/dbraw/zinc/61/10/81/978611081.db2.gz HZCZRJPJAKFNFU-UHFFFAOYSA-N -3 3 342.333 -0.049 20 50 EBGDHL Cn1cc(C(=O)[N-][N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cn1 ZINC000739022526 978613372 /nfs/dbraw/zinc/61/33/72/978613372.db2.gz JULOACXPPOISRG-UHFFFAOYSA-N -3 3 330.347 -0.197 20 50 EBGDHL COC(=O)c1ccc(S(=O)(=O)[N-][N-]C(=O)NCC(=O)[O-])c(C)c1 ZINC001598988203 998713203 /nfs/dbraw/zinc/71/32/03/998713203.db2.gz FOBPUOKTKFDQME-UHFFFAOYSA-N -3 3 345.333 -0.641 20 50 EBGDHL