smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](CN(C)C(=O)[O-])C(=O)N[N-]C(=O)c1ccccc1F ZINC000824868974 604060250 /nfs/dbraw/zinc/06/02/50/604060250.db2.gz RQEPNVYLPFXQEK-MRVPVSSYSA-N -2 3 297.286 0.833 20 50 CCGDHL C[C@H](CN(C)C(=O)[O-])C(=O)NNC(=O)c1ccccc1[O-] ZINC000824869601 604214709 /nfs/dbraw/zinc/21/47/09/604214709.db2.gz YVBPJADFPAJZQH-MRVPVSSYSA-N -2 3 295.295 0.399 20 50 CCGDHL O=C([O-])N[N-]C(=O)c1cccc(Br)n1 ZINC000834250076 605979143 /nfs/dbraw/zinc/97/91/43/605979143.db2.gz CYZULVMZEAMBGV-UHFFFAOYSA-N -2 3 260.047 0.757 20 50 CCGDHL O=C([O-])[C@@H](C(=O)NNC(=O)c1ccccc1[O-])C1CC1 ZINC001594779926 953620657 /nfs/dbraw/zinc/62/06/57/953620657.db2.gz ZETGMZJXVUKNEI-SNVBAGLBSA-N -2 3 278.264 0.264 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)C2(CC(=O)[O-])CCC2)n1 ZINC001594150643 958792216 /nfs/dbraw/zinc/79/22/16/958792216.db2.gz OMNQQLITYWTXPN-UHFFFAOYSA-N -2 3 280.284 0.573 20 50 CCGDHL Cc1cc(C)[n-]c(=NNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)n1 ZINC001574326845 960864118 /nfs/dbraw/zinc/86/41/18/960864118.db2.gz ZGSDJHBMGKOMLZ-DTORHVGOSA-N -2 3 279.300 0.583 20 50 CCGDHL CCC(=O)[N-][N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000749140571 978688384 /nfs/dbraw/zinc/68/83/84/978688384.db2.gz ACBGEPOBVWVANG-UHFFFAOYSA-N -3 3 290.272 0.243 20 50 CCGDHL C[C@@H](CN(C)C(=O)[O-])C(=O)NNC(=O)c1ccccc1[O-] ZINC000824869604 604214823 /nfs/dbraw/zinc/21/48/23/604214823.db2.gz YVBPJADFPAJZQH-QMMMGPOBSA-N -2 3 295.295 0.399 20 50 CCGDHL O=C([O-])N[N-]C(=O)c1cccnc1OCC(F)F ZINC000834250430 605574011 /nfs/dbraw/zinc/57/40/11/605574011.db2.gz GKIJWCRHFGZGKY-UHFFFAOYSA-N -2 3 261.184 0.638 20 50 CCGDHL Cc1cc(C)[n-]c(=NNC(=O)N[C@H](C)CC(=O)[O-])n1 ZINC001611140377 970909111 /nfs/dbraw/zinc/90/91/11/970909111.db2.gz JZEFGFYLAJIRRJ-MRVPVSSYSA-N -2 3 267.289 0.583 20 50 CCGDHL O=C([O-])[C@@H]1CC[C@H]1C(=O)NN=c1ncc(Cl)c[n-]1 ZINC001595182370 952254581 /nfs/dbraw/zinc/25/45/81/952254581.db2.gz QKGGQXIBRCJPEF-RNFRBKRXSA-N -2 3 270.676 0.684 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)CCCCC(=O)[O-])n1 ZINC001594150843 958793779 /nfs/dbraw/zinc/79/37/79/958793779.db2.gz OSZYEDUOEQYYAE-UHFFFAOYSA-N -2 3 268.273 0.573 20 50 CCGDHL Cc1cccnc1C(=O)[N-]NC(=O)[C@@H](C(=O)[O-])C(C)C ZINC001594421000 959068525 /nfs/dbraw/zinc/06/85/25/959068525.db2.gz WKGQGYKWJIDSKO-VIFPVBQESA-N -2 3 279.296 0.508 20 50 CCGDHL Cc1ccc(C(=O)NNC(=O)C(C)(C)C(=O)[O-])c([O-])c1 ZINC001605252800 973016057 /nfs/dbraw/zinc/01/60/57/973016057.db2.gz HCGNLQONTUNPCH-UHFFFAOYSA-N -2 3 280.280 0.572 20 50 CCGDHL CC[C@H](C(=O)[O-])C(=O)N[N-]C(=O)c1ccccc1F ZINC001594755073 981663286 /nfs/dbraw/zinc/66/32/86/981663286.db2.gz AFSULUUJHSPNNI-ZETCQYMHSA-N -2 3 268.244 0.698 20 50 CCGDHL CC[C@@H](C(=O)[O-])C(=O)N[N-]C(=O)c1cccc(C)n1 ZINC001594756091 981671550 /nfs/dbraw/zinc/67/15/50/981671550.db2.gz XBOPXGYFSZLSTH-MRVPVSSYSA-N -2 3 265.269 0.262 20 50 CCGDHL O=C([O-])c1cccc(NC(=O)N[N-]C(=O)c2cn[nH]c2)c1 ZINC001574819606 983284184 /nfs/dbraw/zinc/28/41/84/983284184.db2.gz OPISEBDBBVAYAF-UHFFFAOYSA-N -2 3 289.251 0.574 20 50 CCGDHL CC(C)(O)C(=O)N[N-]C(=O)c1ccc(C(=O)[O-])cc1F ZINC001590882439 990802436 /nfs/dbraw/zinc/80/24/36/990802436.db2.gz DWUXMZXMQHZMTO-UHFFFAOYSA-N -2 3 284.243 0.056 20 50 CCGDHL Cc1cc(C)[n-]c(=NNC(=O)NCC(C)(C)NC(=O)[O-])n1 ZINC000830023828 603455280 /nfs/dbraw/zinc/45/52/80/603455280.db2.gz BRXYVYYAKAHWJX-UHFFFAOYSA-N -2 3 296.331 0.766 20 50 CCGDHL O=C([O-])N(CC(=O)NNC(=O)c1ccccc1[O-])C1CC1 ZINC000834001460 605989562 /nfs/dbraw/zinc/98/95/62/605989562.db2.gz KSBHOXMKIIDNRP-UHFFFAOYSA-N -2 3 293.279 0.296 20 50 CCGDHL Cc1cc(C)[n-]c(=NNC(=O)N[C@@H](C)CC(=O)[O-])n1 ZINC001611140381 970909290 /nfs/dbraw/zinc/90/92/90/970909290.db2.gz JZEFGFYLAJIRRJ-QMMMGPOBSA-N -2 3 267.289 0.583 20 50 CCGDHL O=C([O-])[C@]1(C(=O)N[N-]C(=O)c2ccccc2F)CCCO1 ZINC001594783318 953655949 /nfs/dbraw/zinc/65/59/49/953655949.db2.gz ZNDHKLPOPLTXCI-CYBMUJFWSA-N -2 3 296.254 0.221 20 50 CCGDHL CCn1ncc(C(=O)[N-]N=c2[nH]cccc2C(=O)[O-])n1 ZINC001593671001 953884886 /nfs/dbraw/zinc/88/48/86/953884886.db2.gz LAVWABFQASIUHL-UHFFFAOYSA-N -2 3 276.256 0.148 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000738143012 978485777 /nfs/dbraw/zinc/48/57/77/978485777.db2.gz IQTJETHEMFHXKE-RKDXNWHRSA-N -2 3 294.311 0.819 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)n1 ZINC000738143010 978485925 /nfs/dbraw/zinc/48/59/25/978485925.db2.gz IQTJETHEMFHXKE-IUCAKERBSA-N -2 3 294.311 0.819 20 50 CCGDHL Cn1cc(C(=O)[N-]NC(=O)c2ccc(C(=O)[O-])s2)cn1 ZINC000739023825 978613821 /nfs/dbraw/zinc/61/38/21/978613821.db2.gz ZFIQEPQQWJKJNP-UHFFFAOYSA-N -2 3 294.292 0.255 20 50 CCGDHL Cc1cccc(C(=O)[N-]NC(=O)NCCNC(=O)[O-])c1F ZINC000830465770 604482498 /nfs/dbraw/zinc/48/24/98/604482498.db2.gz PDSWCGWHPFSJJX-UHFFFAOYSA-N -2 3 298.274 0.346 20 50 CCGDHL CC[C@H](NC(=O)[O-])C(=O)NNC(=O)c1ccc(C)cc1[O-] ZINC000827524040 605153891 /nfs/dbraw/zinc/15/38/91/605153891.db2.gz BRCSJBDLVTYEET-VIFPVBQESA-N -2 3 295.295 0.508 20 50 CCGDHL CCCNC(=O)N[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821113636 945637356 /nfs/dbraw/zinc/63/73/56/945637356.db2.gz AUAWCZICMSNBEK-UHFFFAOYSA-N -2 3 295.328 0.282 20 50 CCGDHL O=C([N-]NC(=O)C1CCC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823273086 946372957 /nfs/dbraw/zinc/37/29/57/946372957.db2.gz DCCOLASKCIRCFI-UHFFFAOYSA-N -2 3 292.324 0.489 20 50 CCGDHL Cc1n[nH]cc1C(=O)[N-]NC(=O)c1cccc(C(=O)[O-])c1 ZINC000738827685 955250988 /nfs/dbraw/zinc/25/09/88/955250988.db2.gz MVQVVOSNOQGERA-UHFFFAOYSA-N -2 3 288.263 0.491 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)n1 ZINC001594150314 958787804 /nfs/dbraw/zinc/78/78/04/958787804.db2.gz HGAGAWHDLYFDGW-CYBMUJFWSA-N -2 3 292.295 0.739 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)c1ccc(C(=O)[O-])cc1 ZINC001604912466 972463717 /nfs/dbraw/zinc/46/37/17/972463717.db2.gz UWBCGDDQFXQFAQ-UHFFFAOYSA-N -2 3 288.263 0.940 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)[C@]2(C(=O)[O-])C[C@H]2C)n1 ZINC001574238505 960448556 /nfs/dbraw/zinc/44/85/56/960448556.db2.gz STSROJCEEKSVGP-KBUNVGBDSA-N -2 3 266.257 0.039 20 50 CCGDHL CCC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000746054109 978680366 /nfs/dbraw/zinc/68/03/66/978680366.db2.gz MKZCVOUITRYFRX-UHFFFAOYSA-N -3 3 276.270 0.006 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)CCSCC(=O)[O-] ZINC001599738330 991808941 /nfs/dbraw/zinc/80/89/41/991808941.db2.gz FKLQABYWJLRQNL-UHFFFAOYSA-N -2 3 286.313 0.136 20 50 CCGDHL Cn1nc(C(=O)[O-])cc1C(=O)NN=c1ncc(Cl)c[n-]1 ZINC001605539200 973736246 /nfs/dbraw/zinc/73/62/46/973736246.db2.gz OQQMZGQROUQMOY-UHFFFAOYSA-N -2 3 296.674 0.319 20 50 CCGDHL CC(=O)[N-][N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000775247992 978746765 /nfs/dbraw/zinc/74/67/65/978746765.db2.gz NMWQDQYWMMFPHC-UHFFFAOYSA-N -3 3 272.282 0.023 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001599738890 991816840 /nfs/dbraw/zinc/81/68/40/991816840.db2.gz NJEYOTHKWLENHL-DTWKUNHWSA-N -2 3 294.311 0.819 20 50 CCGDHL Cc1oc(S(=O)(=O)[N-][N-]C(=O)C(C)C)cc1C(=O)[O-] ZINC000833027846 601231416 /nfs/dbraw/zinc/23/14/16/601231416.db2.gz YUJAAQKBUCZBSU-UHFFFAOYSA-N -3 3 290.297 0.252 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)[C@@H](C)CC(=O)[O-])n1 ZINC000832637414 602092822 /nfs/dbraw/zinc/09/28/22/602092822.db2.gz PEKULSAHKBBJGT-LURJTMIESA-N -2 3 254.246 0.039 20 50 CCGDHL C[C@@H](CN(C)CC(=O)N[N-]C(=O)c1cccs1)C(=O)[O-] ZINC000042706510 948881507 /nfs/dbraw/zinc/88/15/07/948881507.db2.gz BDTVQZPKMJQROW-QMMMGPOBSA-N -2 3 299.352 0.162 20 50 CCGDHL O=C([O-])CCCNC(=O)NN=c1[n-]cncc1Cl ZINC001595050259 951467590 /nfs/dbraw/zinc/46/75/90/951467590.db2.gz NAECYZRSPHCTNP-UHFFFAOYSA-N -2 3 273.680 0.621 20 50 CCGDHL CO[C@@](C)(C(=O)[O-])C(=O)NN=c1ncc(Cl)c[n-]1 ZINC001593927254 956141844 /nfs/dbraw/zinc/14/18/44/956141844.db2.gz VKIZDMCYNMFZCP-SECBINFHSA-N -2 3 274.664 0.063 20 50 CCGDHL Cc1n[nH]cc1C(=O)[N-]NC(=O)C1(CC(=O)[O-])CCC1 ZINC001594442255 959289033 /nfs/dbraw/zinc/28/90/33/959289033.db2.gz NYLVKDRFQWURKT-UHFFFAOYSA-N -2 3 280.284 0.124 20 50 CCGDHL C#CCCCC(=O)N[N-]C(=O)c1cccc(C(=O)[O-])n1 ZINC001588440542 964039595 /nfs/dbraw/zinc/03/95/95/964039595.db2.gz ZDPUAYXTBMSUCU-UHFFFAOYSA-N -2 3 275.264 0.344 20 50 CCGDHL O=C([O-])NCCCC(=O)NNC(=O)c1ccccc1[O-] ZINC000739956309 978660246 /nfs/dbraw/zinc/66/02/46/978660246.db2.gz FRBAQWROZNTZPG-UHFFFAOYSA-N -2 3 281.268 0.201 20 50 CCGDHL CC[C@H](C(=O)[O-])C(=O)NN=c1nc(OC)cc[n-]1 ZINC001594755847 981669922 /nfs/dbraw/zinc/66/99/22/981669922.db2.gz VEMHHJYHHYMEIN-LURJTMIESA-N -2 3 254.246 0.039 20 50 CCGDHL O=C([O-])NCCC=NNC(=O)c1ccccc1[O-] ZINC000832605254 605459339 /nfs/dbraw/zinc/45/93/39/605459339.db2.gz NTMDYQDFGCCKPW-UHFFFAOYSA-N -2 3 251.242 0.766 20 50 CCGDHL Cc1cccnc1C(=O)[N-]NC(=O)CN(C(=O)[O-])C1CC1 ZINC000833910554 605986897 /nfs/dbraw/zinc/98/68/97/605986897.db2.gz LUURIBALNYAYED-UHFFFAOYSA-N -2 3 292.295 0.293 20 50 CCGDHL Cc1cccnc1C(=O)[N-]NC(=O)C1(C(=O)[O-])CC1 ZINC001600590237 970832200 /nfs/dbraw/zinc/83/22/00/970832200.db2.gz USSAQBGJQOWTBQ-UHFFFAOYSA-N -2 3 263.253 0.016 20 50 CCGDHL Cn1cc(C(=O)[N-]NC(=O)c2cccc(C(=O)[O-])c2)cn1 ZINC000739023198 955252448 /nfs/dbraw/zinc/25/24/48/955252448.db2.gz QSMJFDORTSTVNI-UHFFFAOYSA-N -2 3 288.263 0.193 20 50 CCGDHL Cc1cc(C)[n-]c(=NNC(=O)NCCCCC(=O)[O-])n1 ZINC000820972832 955486211 /nfs/dbraw/zinc/48/62/11/955486211.db2.gz YWAFLLUHMFGSOX-UHFFFAOYSA-N -2 3 281.316 0.974 20 50 CCGDHL CC(C)(C)CC(=O)N[N-]C(=O)c1ccc(C(=O)[O-])cn1 ZINC001588642469 959702053 /nfs/dbraw/zinc/70/20/53/959702053.db2.gz DLICRQJOGGMQML-UHFFFAOYSA-N -2 3 279.296 0.977 20 50 CCGDHL CC(=O)[N-][N-]S(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC001589149782 985466749 /nfs/dbraw/zinc/46/67/49/985466749.db2.gz DWAMYLCQTUEVMB-UHFFFAOYSA-N -3 3 272.282 0.023 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)C[C@@H](C)CC(=O)[O-] ZINC001599738565 991812609 /nfs/dbraw/zinc/81/26/09/991812609.db2.gz KKJHSOQLUZUISD-SSDOTTSWSA-N -2 3 268.273 0.429 20 50 CCGDHL O=C([O-])CCCCCNC(=O)NN=c1cccn[n-]1 ZINC000739668244 955255003 /nfs/dbraw/zinc/25/50/03/955255003.db2.gz JURXBZXYUJODCI-UHFFFAOYSA-N -2 3 267.289 0.748 20 50 CCGDHL Cc1cc(C)[n-]c(=NNC(=O)NCCCC(=O)[O-])n1 ZINC000818814259 955424664 /nfs/dbraw/zinc/42/46/64/955424664.db2.gz NDMLUMDVBKDBEQ-UHFFFAOYSA-N -2 3 267.289 0.584 20 50 CCGDHL Cc1cc(C)[n-]c(=NNC(=O)c2cc(C(=O)[O-])nn2C)n1 ZINC000864100523 955931114 /nfs/dbraw/zinc/93/11/14/955931114.db2.gz QIZHSZSYKSPAMM-UHFFFAOYSA-N -2 3 290.283 0.282 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)[C@H](C(=O)[O-])C(C)(C)C)n1 ZINC001594151259 958801128 /nfs/dbraw/zinc/80/11/28/958801128.db2.gz ZVNBIIQUTWVNTJ-MRVPVSSYSA-N -2 3 282.300 0.675 20 50 CCGDHL Cc1cccc(C(=O)[N-]NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])n1 ZINC001574390113 961166259 /nfs/dbraw/zinc/16/62/59/961166259.db2.gz ZIHWMBBSMCXCJM-RKDXNWHRSA-N -2 3 277.280 0.262 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)c1cccc(C(=O)[O-])n1 ZINC001599739237 991822607 /nfs/dbraw/zinc/82/26/07/991822607.db2.gz RNMRZWKAVVSJOZ-UHFFFAOYSA-N -2 3 289.251 0.335 20 50 CCGDHL O=C([O-])NCCCCC(=O)NNC(=O)c1ccccc1[O-] ZINC000834234002 605901493 /nfs/dbraw/zinc/90/14/93/605901493.db2.gz HNUUNBABBKKYRU-UHFFFAOYSA-N -2 3 295.295 0.591 20 50 CCGDHL O=C([N-]NC(=O)C1CCC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823273056 946371945 /nfs/dbraw/zinc/37/19/45/946371945.db2.gz CQEPAXPOHHLVOS-UHFFFAOYSA-N -2 3 292.324 0.489 20 50 CCGDHL O=C([O-])C1(C(=O)NN=c2ncc(Cl)c[n-]2)CCC1 ZINC001594867077 954319449 /nfs/dbraw/zinc/31/94/49/954319449.db2.gz HUMLMRGYWHYNBL-UHFFFAOYSA-N -2 3 270.676 0.828 20 50 CCGDHL N#CC(=Cc1ccc([O-])cc1)C(=O)OCC(=O)C(=O)[O-] ZINC001594600708 956123010 /nfs/dbraw/zinc/12/30/10/956123010.db2.gz DKPPAPRRPGADGG-UITAMQMPSA-N -2 3 275.216 0.496 20 50 CCGDHL C[C@](O)(CNC(=O)/C(C#N)=C\c1ccc([O-])cc1)C(=O)[O-] ZINC001589138466 956248107 /nfs/dbraw/zinc/24/81/07/956248107.db2.gz OYZVWSMXIOFYNW-APFBBLRHSA-N -2 3 290.275 0.251 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)C2(C(=O)[O-])CCC2)n1 ZINC001594151243 958800857 /nfs/dbraw/zinc/80/08/57/958800857.db2.gz ZFRJRESEUIKPGU-UHFFFAOYSA-N -2 3 266.257 0.183 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000738143006 978485954 /nfs/dbraw/zinc/48/59/54/978485954.db2.gz IQTJETHEMFHXKE-DTWKUNHWSA-N -2 3 294.311 0.819 20 50 CCGDHL CCNC(=O)N[N-]C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001596471190 984195897 /nfs/dbraw/zinc/19/58/97/984195897.db2.gz UZACRUKKPFHYPT-UHFFFAOYSA-N -2 3 296.239 0.257 20 50 CCGDHL Cc1cccnc1C(=O)[N-]NC(=O)C(C)(C)CNC(=O)[O-] ZINC000833909492 605926291 /nfs/dbraw/zinc/92/62/91/605926291.db2.gz BZCFTTYXMKQJGQ-UHFFFAOYSA-N -2 3 294.311 0.445 20 50 CCGDHL CC(C)(C)C(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735590415 944676718 /nfs/dbraw/zinc/67/67/18/944676718.db2.gz ZSVWYIBGDFGFRI-UHFFFAOYSA-N -2 3 289.299 0.069 20 50 CCGDHL C[C@@H](CNC(=O)NN=c1ncc(Cl)c[n-]1)C(=O)[O-] ZINC001603184051 972286400 /nfs/dbraw/zinc/28/64/00/972286400.db2.gz RGYOELWMVHIGCU-YFKPBYRVSA-N -2 3 273.680 0.477 20 50 CCGDHL Cc1n[nH]cc1C(=O)[N-]NC(=O)[C@H](CC(C)C)NC(=O)[O-] ZINC000738827007 978603520 /nfs/dbraw/zinc/60/35/20/978603520.db2.gz DJCGVDHJCLTOIB-VIFPVBQESA-N -2 3 297.315 0.161 20 50 CCGDHL C=CCNC(=S)N[N-]C(=O)c1ccc(C(=O)[O-])cc1F ZINC001588845417 984362573 /nfs/dbraw/zinc/36/25/73/984362573.db2.gz MTECCDSOKGLLDS-UHFFFAOYSA-N -2 3 297.311 0.819 20 50 CCGDHL O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ncccc1[O-] ZINC000826449152 607464373 /nfs/dbraw/zinc/46/43/73/607464373.db2.gz DTYWCEJGNDCYQZ-UHFFFAOYSA-N -2 3 297.278 0.724 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)C[C@@H]2CCCN2C(=O)[O-])n1 ZINC000829649330 603312063 /nfs/dbraw/zinc/31/20/63/603312063.db2.gz IFHIWNFGALCLEJ-QMMMGPOBSA-N -2 3 295.299 0.461 20 50 CCGDHL CC(=NNC(=O)NCC(=O)[O-])c1cc(F)ccc1[O-] ZINC000833384064 605589186 /nfs/dbraw/zinc/58/91/86/605589186.db2.gz AUPVHYILQSUEAG-UHFFFAOYSA-N -2 3 269.232 0.639 20 50 CCGDHL O=C(NN=c1[n-]cc(F)cc1F)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594782183 953641370 /nfs/dbraw/zinc/64/13/70/953641370.db2.gz QRYGWUKHDFOTEN-IAQIWYKVSA-N -2 3 286.238 0.849 20 50 CCGDHL O=C([O-])C1CCC(NC(=O)NN=c2cccn[n-]2)CC1 ZINC000738507055 955243272 /nfs/dbraw/zinc/24/32/72/955243272.db2.gz VDICIBLVMWOETG-UHFFFAOYSA-N -2 3 279.300 0.746 20 50 CCGDHL C[C@](C#N)(CC(=O)[O-])C(=O)NNC(=O)c1ccccc1[O-] ZINC000819847414 955456082 /nfs/dbraw/zinc/45/60/82/955456082.db2.gz MBEMGZNNKRYCQJ-CYBMUJFWSA-N -2 3 291.263 0.158 20 50 CCGDHL Cc1cccnc1C(=O)[N-]NC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC001594420323 959053841 /nfs/dbraw/zinc/05/38/41/959053841.db2.gz HOENNYQMOLDGIK-CQSZACIVSA-N -2 3 291.307 0.652 20 50 CCGDHL Cc1n[nH]cc1C(=O)[N-]NC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001594442174 959287142 /nfs/dbraw/zinc/28/71/42/959287142.db2.gz JZKUYMVLSIFDID-SNVBAGLBSA-N -2 3 294.311 0.370 20 50 CCGDHL C[C@H](CC(=O)[O-])NC(=O)N[N-]C(=O)c1ccccc1F ZINC001609885202 970572677 /nfs/dbraw/zinc/57/26/77/970572677.db2.gz HVHMSGMHWOQMEH-SSDOTTSWSA-N -2 3 283.259 0.633 20 50 CCGDHL Cc1ccc(C(=O)NNC(=O)CCNC(=O)[O-])c([O-])c1 ZINC000738513466 978550693 /nfs/dbraw/zinc/55/06/93/978550693.db2.gz MBIWTGCKAZOWKA-UHFFFAOYSA-N -2 3 281.268 0.119 20 50 CCGDHL Cc1n[nH]cc1C(=O)[N-]NC(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000830677222 602882325 /nfs/dbraw/zinc/88/23/25/602882325.db2.gz DSWKNNSVVNDHQO-QMMMGPOBSA-N -2 3 295.299 0.012 20 50 CCGDHL O=C([N-]NC(=O)NC1CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823277625 606537194 /nfs/dbraw/zinc/53/71/94/606537194.db2.gz SFRNLFIUOLSMRC-UHFFFAOYSA-N -2 3 293.312 0.035 20 50 CCGDHL O=C([O-])c1ccc[nH]c1=N[N-]C(=O)c1ncc(Cl)cn1 ZINC001594781218 953630262 /nfs/dbraw/zinc/63/02/62/953630262.db2.gz JJSKBUXXQJPOHO-UHFFFAOYSA-N -2 3 293.670 0.980 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)CCCC(=O)[O-])n1 ZINC001594150930 958794903 /nfs/dbraw/zinc/79/49/03/958794903.db2.gz RYHQAPWJLYNSPH-UHFFFAOYSA-N -2 3 254.246 0.183 20 50 CCGDHL Cc1cccnc1C(=O)[N-]NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001594420914 959066786 /nfs/dbraw/zinc/06/67/86/959066786.db2.gz TXQYZFMHRQZFJX-ZJUUUORDSA-N -2 3 291.307 0.652 20 50 CCGDHL Cc1cc(C)[n-]c(=NNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)n1 ZINC001574326058 960854609 /nfs/dbraw/zinc/85/46/09/960854609.db2.gz HYMJVJQMZNPTID-ZJUUUORDSA-N -2 3 293.327 0.973 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)c1ccc(C(=O)[O-])o1 ZINC001599738292 991808720 /nfs/dbraw/zinc/80/87/20/991808720.db2.gz BYQGOVHIAVKPDL-UHFFFAOYSA-N -2 3 278.224 0.533 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)c1oc(C(=O)[O-])cc1C ZINC001599739214 991822573 /nfs/dbraw/zinc/82/25/73/991822573.db2.gz RGCAAOGPOBUMNN-UHFFFAOYSA-N -2 3 292.251 0.842 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)c1cc(C(=O)[O-])co1 ZINC001599739422 991825462 /nfs/dbraw/zinc/82/54/62/991825462.db2.gz XJDDOAPLQFWCRJ-UHFFFAOYSA-N -2 3 278.224 0.533 20 50 CCGDHL O=C([O-])Nc1cnc(C(=O)NN=c2cccn[n-]2)cn1 ZINC000834277613 606068651 /nfs/dbraw/zinc/06/86/51/606068651.db2.gz OJISOYKEMKPBRU-UHFFFAOYSA-N -2 3 275.228 0.113 20 50 CCGDHL CCNC(=O)N(C)[N-]C(=O)c1sccc1-c1nn[n-]n1 ZINC000825471157 608873767 /nfs/dbraw/zinc/87/37/67/608873767.db2.gz OMQGTGZMXZJKJB-UHFFFAOYSA-N -2 3 295.328 0.234 20 50 CCGDHL CC(C)C(=O)N[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820012183 945328418 /nfs/dbraw/zinc/32/84/18/945328418.db2.gz VXIMWGDPAKAHEL-UHFFFAOYSA-N -2 3 280.313 0.345 20 50 CCGDHL O=C(NN=c1cncc(Cl)[n-]1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001594781564 953634263 /nfs/dbraw/zinc/63/42/63/953634263.db2.gz DTOVBTFOPZXNMQ-OLQVQODUSA-N -2 3 285.691 0.619 20 50 CCGDHL Cc1ccnc(C(=O)[N-]N=c2[nH]cccc2C(=O)[O-])n1 ZINC001605359652 973280392 /nfs/dbraw/zinc/28/03/92/973280392.db2.gz KKHZRFTVUJKDMT-UHFFFAOYSA-N -2 3 273.252 0.635 20 50 CCGDHL CC(C)CC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736401337 978330107 /nfs/dbraw/zinc/33/01/07/978330107.db2.gz HBGTXLKASLAXAQ-UHFFFAOYSA-N -3 3 290.297 0.333 20 50 CCGDHL CCOC(=O)N[N-]C(=O)c1ccc(C(=O)[O-])cc1F ZINC001596665293 984727269 /nfs/dbraw/zinc/72/72/69/984727269.db2.gz SPXINQZSKBSAEX-UHFFFAOYSA-N -2 3 270.216 0.915 20 50 CCGDHL C[C@@H](O)[C@H](NC(=O)/C(C#N)=C\c1ccc([O-])cc1)C(=O)[O-] ZINC001599844360 988906543 /nfs/dbraw/zinc/90/65/43/988906543.db2.gz VFHGSWNZKFKOQQ-COAKFPIKSA-N -2 3 290.275 0.249 20 50 CCGDHL Cc1ccc(C(=O)NNC(=O)[C@@H](C)CC(=O)[O-])c([O-])c1 ZINC000832912073 602266686 /nfs/dbraw/zinc/26/66/86/602266686.db2.gz SXZULALXSNAHFI-QMMMGPOBSA-N -2 3 280.280 0.572 20 50 CCGDHL O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)NN=c1cccn[n-]1 ZINC000832472767 603858435 /nfs/dbraw/zinc/85/84/35/603858435.db2.gz ADGNXOAMWLDNJG-IUCAKERBSA-N -2 3 294.315 0.539 20 50 CCGDHL Cc1cc(C)[n-]c(=NNC(=O)NC2CN(C(=O)[O-])C2)n1 ZINC000830025656 604606324 /nfs/dbraw/zinc/60/63/24/604606324.db2.gz NTGUBOXIWFBTAD-UHFFFAOYSA-N -2 3 280.288 0.082 20 50 CCGDHL Cc1n[nH]cc1C(=O)[N-]NC(=O)[C@@H](NC(=O)[O-])C(C)(C)C ZINC000830676873 605708344 /nfs/dbraw/zinc/70/83/44/605708344.db2.gz BNMHTNSRDDDGNA-MRVPVSSYSA-N -2 3 297.315 0.161 20 50 CCGDHL O=C([O-])NCCNC(=O)NN=Cc1ccc([O-])c(F)c1 ZINC000834243344 606054139 /nfs/dbraw/zinc/05/41/39/606054139.db2.gz KLESIZDTVYDKAZ-UHFFFAOYSA-N -2 3 284.247 0.432 20 50 CCGDHL Cn1cccc1C(=O)N[N-]C(=O)c1ccc(C(=O)[O-])cn1 ZINC001605511326 973686127 /nfs/dbraw/zinc/68/61/27/973686127.db2.gz GWWBSZQXDSCGTK-UHFFFAOYSA-N -2 3 288.263 0.193 20 50 CCGDHL Cc1[nH]nc(C(F)(F)F)c1C(=O)[N-]NC(=O)[O-] ZINC000829832885 603934896 /nfs/dbraw/zinc/93/48/96/603934896.db2.gz BBCZAFATILRGJF-UHFFFAOYSA-N -2 3 252.152 0.649 20 50 CCGDHL O=C([O-])NCC(=O)NN=Cc1c([O-])cccc1Cl ZINC000834199829 605386615 /nfs/dbraw/zinc/38/66/15/605386615.db2.gz OZIWHJKGXBOKJM-UHFFFAOYSA-N -2 3 271.660 0.763 20 50 CCGDHL O=C([O-])NCCC(=O)N[N-]C(=O)c1ccc(F)cc1F ZINC000834228175 605843403 /nfs/dbraw/zinc/84/34/03/605843403.db2.gz CWRXITSAFMHACP-UHFFFAOYSA-N -2 3 287.222 0.384 20 50 CCGDHL Cc1cccnc1C(=O)[N-]NC(=O)[C@H](NC(=O)[O-])C(C)C ZINC000833911493 605927262 /nfs/dbraw/zinc/92/72/62/605927262.db2.gz WDIKBYDIBCJODB-SECBINFHSA-N -2 3 294.311 0.443 20 50 CCGDHL O=C([O-])N(CC(=O)N[N-]C(=O)c1ccccc1F)C1CC1 ZINC000834001198 605960826 /nfs/dbraw/zinc/96/08/26/605960826.db2.gz GXALDYZYXMFDAZ-UHFFFAOYSA-N -2 3 295.270 0.729 20 50 CCGDHL N#C/C(=C/c1ccc([O-])cc1)C(=O)NCCC(=O)[O-] ZINC001601045838 970921682 /nfs/dbraw/zinc/92/16/82/970921682.db2.gz KIUNHNANWLWWBQ-YFHOEESVSA-N -2 3 260.249 0.890 20 50 CCGDHL O=C([O-])CCCNC(=O)NNC(=O)c1ccccc1[O-] ZINC000819443074 955446222 /nfs/dbraw/zinc/44/62/22/955446222.db2.gz KOOOHWPEEMXUEP-UHFFFAOYSA-N -2 3 281.268 0.201 20 50 CCGDHL C[C@](C#N)(CC(=O)[O-])C(=O)N[N-]C(=O)c1ccccc1F ZINC000819848694 955457381 /nfs/dbraw/zinc/45/73/81/955457381.db2.gz UTQFEOKJGNEWNK-CYBMUJFWSA-N -2 3 293.254 0.591 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC001594159790 958874125 /nfs/dbraw/zinc/87/41/25/958874125.db2.gz XRDNIKYJYXPLNQ-SSDOTTSWSA-N -2 3 282.300 0.675 20 50 CCGDHL C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NN=c1ncc(Cl)c[n-]1 ZINC001605023583 972633909 /nfs/dbraw/zinc/63/39/09/972633909.db2.gz UWRLXEQDVCLDBT-FWOIEVBISA-N -2 3 270.676 0.684 20 50 CCGDHL Cc1cccnc1C(=O)[N-]NC(=O)C[C@H](C)NC(=O)[O-] ZINC000833909865 605926181 /nfs/dbraw/zinc/92/61/81/605926181.db2.gz FGWZZBLRHVDQRJ-QMMMGPOBSA-N -2 3 280.284 0.197 20 50 CCGDHL C[C@H](C(=O)[O-])C(=O)NN=c1ncc(Br)c[n-]1 ZINC000848454356 955745412 /nfs/dbraw/zinc/74/54/12/955745412.db2.gz MDQFBAMPWGBBEQ-BYPYZUCNSA-N -2 3 289.089 0.403 20 50 CCGDHL O=C([O-])c1ccc[nH]c1=NNC(=O)c1ccc(O)cc1[O-] ZINC001605821002 972551184 /nfs/dbraw/zinc/55/11/84/972551184.db2.gz QQUBMSSDXPCBNW-UHFFFAOYSA-N -2 3 289.247 0.948 20 50 CCGDHL CC(C)CCC(=O)N[N-]C(=O)c1cccc(C(=O)[O-])n1 ZINC000736429469 978334564 /nfs/dbraw/zinc/33/45/64/978334564.db2.gz XOZAKDJMDDAEEE-UHFFFAOYSA-N -2 3 279.296 0.977 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)CCCN(C)C(=O)[O-])n1 ZINC000738142594 978485741 /nfs/dbraw/zinc/48/57/41/978485741.db2.gz BDTQFSGUFHZBNQ-UHFFFAOYSA-N -2 3 283.288 0.318 20 50 CCGDHL Cc1ccc(C(=O)NNC(=O)[C@H]2C[C@@H]2C(=O)[O-])c([O-])c1 ZINC000738513478 978550478 /nfs/dbraw/zinc/55/04/78/978550478.db2.gz MVQINZFZKYERNV-IUCAKERBSA-N -2 3 278.264 0.182 20 50 CCGDHL C[C@@H](O)[C@H](NC(=O)/C(C#N)=C/c1ccc([O-])cc1)C(=O)[O-] ZINC001599844361 988907815 /nfs/dbraw/zinc/90/78/15/988907815.db2.gz VFHGSWNZKFKOQQ-ZNLUMQJTSA-N -2 3 290.275 0.249 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)C23CC(C(=O)[O-])(C2)C3)n1 ZINC001599722178 991559184 /nfs/dbraw/zinc/55/91/84/991559184.db2.gz BINBBQPFNUYHCY-UHFFFAOYSA-N -2 3 278.268 0.183 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)n1 ZINC000829651136 603465761 /nfs/dbraw/zinc/46/57/61/603465761.db2.gz XNHOOONIMXINAO-HTQZYQBOSA-N -2 3 295.299 0.365 20 50 CCGDHL N#CC(=Cc1ccc([O-])cc1)C(=O)OCC(=O)C(=O)[O-] ZINC001594600710 956123676 /nfs/dbraw/zinc/12/36/76/956123676.db2.gz DKPPAPRRPGADGG-WEVVVXLNSA-N -2 3 275.216 0.496 20 50 CCGDHL CC[C@](C)(NCC(=O)N[N-]C(=O)c1cccs1)C(=O)[O-] ZINC000094229185 958276988 /nfs/dbraw/zinc/27/69/88/958276988.db2.gz KZQQEPSWFGZZLF-LBPRGKRZSA-N -2 3 299.352 0.352 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)[C@H]2CC[C@H]2C(=O)[O-])n1 ZINC001594150185 958786452 /nfs/dbraw/zinc/78/64/52/958786452.db2.gz BXJLHHBZHXJYIE-NKWVEPMBSA-N -2 3 266.257 0.039 20 50 CCGDHL Cc1n[nH]cc1C(=O)[N-]NC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001594442248 959288881 /nfs/dbraw/zinc/28/88/81/959288881.db2.gz NCDHWVHNASVKRQ-CYBMUJFWSA-N -2 3 292.295 0.290 20 50 CCGDHL O=C([O-])[C@@H]1C[C@H]1C(=O)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000739453064 978636238 /nfs/dbraw/zinc/63/62/38/978636238.db2.gz BRWHACNGMYDHML-NXEZZACHSA-N -2 3 299.286 0.717 20 50 CCGDHL O=C([O-])[C@@H]1C[C@H]1C(=O)N[N-]C(=O)c1ccccc1F ZINC000739454111 978639554 /nfs/dbraw/zinc/63/95/54/978639554.db2.gz QJASLILUYONJSQ-HTQZYQBOSA-N -2 3 266.228 0.307 20 50 CCGDHL CC[C@H](C(=O)[O-])C(=O)NNC(=O)c1ccc(C)cc1[O-] ZINC001594755364 981665650 /nfs/dbraw/zinc/66/56/50/981665650.db2.gz HYAIWBRXNAGQIL-QMMMGPOBSA-N -2 3 280.280 0.572 20 50 CCGDHL Cc1n[nH]cc1C(=O)[N-]NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000832991173 600940926 /nfs/dbraw/zinc/94/09/26/600940926.db2.gz RGGPSWYOQJLIKK-RKDXNWHRSA-N -2 3 294.311 0.370 20 50 CCGDHL CC(C)(CNC(=O)N[N-]C(=O)c1ccccc1F)C(=O)[O-] ZINC000826585599 601686816 /nfs/dbraw/zinc/68/68/16/601686816.db2.gz PJIRJFVGHIHVOI-UHFFFAOYSA-N -2 3 297.286 0.881 20 50 CCGDHL O=C([O-])c1cccc(C(=O)NN=c2cccn[n-]2)c1 ZINC000740216493 955258774 /nfs/dbraw/zinc/25/87/74/955258774.db2.gz LYNBNFFUZURKRG-UHFFFAOYSA-N -2 3 258.237 0.932 20 50 CCGDHL O=C([O-])CSCC(=O)N[N-]C(=O)c1ccccc1F ZINC000740485400 955260665 /nfs/dbraw/zinc/26/06/65/955260665.db2.gz NCYQZQLJKSWGGG-UHFFFAOYSA-N -2 3 286.284 0.405 20 50 CCGDHL Cc1cccnc1C(=O)[N-]NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000821125387 955491912 /nfs/dbraw/zinc/49/19/12/955491912.db2.gz JAFRTKZOYFTOCR-CYBMUJFWSA-N -2 3 290.279 0.156 20 50 CCGDHL Cc1cccc(C(=O)[N-]NC(=O)[C@]2(C(=O)[O-])C[C@H]2C)n1 ZINC001574388247 961144688 /nfs/dbraw/zinc/14/46/88/961144688.db2.gz BGEQEDHOKSDUGY-UHLUBPPHSA-N -2 3 277.280 0.262 20 50 CCGDHL CC(C)C[C@@H](CNC(=O)N[N-]C(=O)c1cn[nH]c1)C(=O)[O-] ZINC001588852927 961952351 /nfs/dbraw/zinc/95/23/51/961952351.db2.gz LFYRXEKETUJKMD-QMMMGPOBSA-N -2 3 297.315 0.101 20 50 CCGDHL Cc1cc(C)[n-]c(=NNC(=O)NC[C@@H](C)C(=O)[O-])n1 ZINC000848588448 969266624 /nfs/dbraw/zinc/26/66/24/969266624.db2.gz SMTNCSJFLJCZNK-ZCFIWIBFSA-N -2 3 267.289 0.440 20 50 CCGDHL CN(CCCC(=O)NNC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000737426596 978406964 /nfs/dbraw/zinc/40/69/64/978406964.db2.gz GDDSNKMPEUZOAN-UHFFFAOYSA-N -2 3 295.295 0.543 20 50 CCGDHL O=C([O-])[C@H]1C[C@@H]1C(=O)N[N-]C(=O)c1ccccc1F ZINC000739454115 978639514 /nfs/dbraw/zinc/63/95/14/978639514.db2.gz QJASLILUYONJSQ-YUMQZZPRSA-N -2 3 266.228 0.307 20 50 CCGDHL O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)NN=c1cccn[n-]1 ZINC000832472765 603858351 /nfs/dbraw/zinc/85/83/51/603858351.db2.gz ADGNXOAMWLDNJG-BDAKNGLRSA-N -2 3 294.315 0.539 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)c1ccc(C(=O)[O-])cn1 ZINC001604911592 972459893 /nfs/dbraw/zinc/45/98/93/972459893.db2.gz FQXZTUWUDPGZGW-UHFFFAOYSA-N -2 3 289.251 0.335 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)C1(C(=O)[O-])CCCCC1 ZINC001604912158 972463851 /nfs/dbraw/zinc/46/38/51/972463851.db2.gz RIYFZIWIXQMAEM-UHFFFAOYSA-N -2 3 294.311 0.963 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])n1 ZINC001574237797 960442651 /nfs/dbraw/zinc/44/26/51/960442651.db2.gz BXJLHHBZHXJYIE-RNFRBKRXSA-N -2 3 266.257 0.039 20 50 CCGDHL Cc1cccc(C(=O)[N-]NC(=O)[C@H]2CC[C@H]2C(=O)[O-])n1 ZINC001574390112 961167012 /nfs/dbraw/zinc/16/70/12/961167012.db2.gz ZIHWMBBSMCXCJM-DTWKUNHWSA-N -2 3 277.280 0.262 20 50 CCGDHL O=C([O-])N1CC(CC(=O)N[N-]C(=O)c2ccccc2F)C1 ZINC000831366407 603556595 /nfs/dbraw/zinc/55/65/95/603556595.db2.gz JAXMOIGUTVPESD-UHFFFAOYSA-N -2 3 295.270 0.587 20 50 CCGDHL CC(=NNC(=O)NCC(=O)[O-])c1ccc([O-])c(F)c1 ZINC000833384898 605593093 /nfs/dbraw/zinc/59/30/93/605593093.db2.gz OZHZKDNYYSLHBS-UHFFFAOYSA-N -2 3 269.232 0.639 20 50 CCGDHL O=C(NN=c1cncc(Cl)[n-]1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001601561850 971016697 /nfs/dbraw/zinc/01/66/97/971016697.db2.gz DTOVBTFOPZXNMQ-IZLXSQMJSA-N -2 3 285.691 0.619 20 50 CCGDHL COc1ccc(C=C(C#N)C(=O)[O-])cc1-c1nnn[n-]1 ZINC000821786456 945863032 /nfs/dbraw/zinc/86/30/32/945863032.db2.gz DMSFUROZFGUGBD-XBXARRHUSA-N -2 3 271.236 0.867 20 50 CCGDHL COc1ccc(C=C(C#N)C(=O)[O-])cc1-c1nn[n-]n1 ZINC000821786456 945863044 /nfs/dbraw/zinc/86/30/44/945863044.db2.gz DMSFUROZFGUGBD-XBXARRHUSA-N -2 3 271.236 0.867 20 50 CCGDHL O=C([O-])c1cnc(C(=O)NN=c2ccc(Cl)n[n-]2)cn1 ZINC001595266062 949748170 /nfs/dbraw/zinc/74/81/70/949748170.db2.gz CPECNKVIQGTFQM-UHFFFAOYSA-N -2 3 294.658 0.375 20 50 CCGDHL C[C@@H](NC(=O)/C(C#N)=C/c1ccc([O-])cc1)C(=O)[O-] ZINC001594199918 959240333 /nfs/dbraw/zinc/24/03/33/959240333.db2.gz WZAGCNOGURSHNW-VSBFRKNKSA-N -2 3 260.249 0.888 20 50 CCGDHL Cc1n[nH]cc1C(=O)[N-]NC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC001594442249 959289806 /nfs/dbraw/zinc/28/98/06/959289806.db2.gz NCDHWVHNASVKRQ-ZDUSSCGKSA-N -2 3 292.295 0.290 20 50 CCGDHL O=C(NNC(=O)c1ccccc1[O-])N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001574578789 962094017 /nfs/dbraw/zinc/09/40/17/962094017.db2.gz PAMPFSUGWADRCL-ZKCHVHJHSA-N -2 3 293.279 0.199 20 50 CCGDHL Cc1cc(C)[n-]c(=NNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)n1 ZINC001605164579 972860579 /nfs/dbraw/zinc/86/05/79/972860579.db2.gz ZGSDJHBMGKOMLZ-KYZUINATSA-N -2 3 279.300 0.583 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)n1 ZINC000738143003 978485783 /nfs/dbraw/zinc/48/57/83/978485783.db2.gz IQTJETHEMFHXKE-BDAKNGLRSA-N -2 3 294.311 0.819 20 50 CCGDHL O=C([O-])c1ccccc1S(=O)(=O)[N-][N-]C(=O)C1CCC1 ZINC000740243356 978673162 /nfs/dbraw/zinc/67/31/62/978673162.db2.gz ZYIRTOVGKXELNZ-UHFFFAOYSA-N -3 3 298.320 0.494 20 50 CCGDHL C[C@@H](CC(=O)[O-])C(=O)N[N-]C(=O)c1ccccc1F ZINC000827303943 602067460 /nfs/dbraw/zinc/06/74/60/602067460.db2.gz MBVDYOGMHKHQHZ-ZETCQYMHSA-N -2 3 268.244 0.698 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)C[C@H]2CCCN2C(=O)[O-])n1 ZINC000829649329 603312411 /nfs/dbraw/zinc/31/24/11/603312411.db2.gz IFHIWNFGALCLEJ-MRVPVSSYSA-N -2 3 295.299 0.461 20 50 CCGDHL CC(C)(CNC(=O)[O-])C(=O)N[N-]C(=O)c1ccccc1F ZINC000823964996 603613376 /nfs/dbraw/zinc/61/33/76/603613376.db2.gz QAXOGHCGALPNJY-UHFFFAOYSA-N -2 3 297.286 0.881 20 50 CCGDHL Cc1cccnc1C(=O)[N-]NC(=O)C(C)(C)NC(=O)[O-] ZINC000833911763 605927113 /nfs/dbraw/zinc/92/71/13/605927113.db2.gz YBCGBLCTFYROAK-UHFFFAOYSA-N -2 3 280.284 0.197 20 50 CCGDHL CCOC(=O)N[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821334026 945672778 /nfs/dbraw/zinc/67/27/78/945672778.db2.gz FKJLYIVUGLUYPC-UHFFFAOYSA-N -2 3 282.285 0.319 20 50 CCGDHL O=C([O-])[C@H](C(=O)NNC(=O)c1ccccc1[O-])C1CC1 ZINC001594779924 953620490 /nfs/dbraw/zinc/62/04/90/953620490.db2.gz ZETGMZJXVUKNEI-JTQLQIEISA-N -2 3 278.264 0.264 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)CN(CC2CC2)C(=O)[O-])n1 ZINC000829649727 603312524 /nfs/dbraw/zinc/31/25/24/603312524.db2.gz KKQDRGXKWARKGB-UHFFFAOYSA-N -2 3 295.299 0.318 20 50 CCGDHL Cc1ccc(C(=O)NNC(=O)C[C@H](C)NC(=O)[O-])c([O-])c1 ZINC000830225745 603497672 /nfs/dbraw/zinc/49/76/72/603497672.db2.gz WCCSCTPLHIRELD-QMMMGPOBSA-N -2 3 295.295 0.508 20 50 CCGDHL O=C([O-])N1CC(C(=O)N[N-]C(=O)c2ccccc2F)C1 ZINC000834045724 605507066 /nfs/dbraw/zinc/50/70/66/605507066.db2.gz SUIWREMZDSDFIX-UHFFFAOYSA-N -2 3 281.243 0.197 20 50 CCGDHL Cc1cccnc1C(=O)[N-]NC(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000833910892 605926068 /nfs/dbraw/zinc/92/60/68/605926068.db2.gz QEEORCGVPGQEHB-SECBINFHSA-N -2 3 294.311 0.397 20 50 CCGDHL Cc1cccnc1C(=O)[N-]NC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000833909912 605926378 /nfs/dbraw/zinc/92/63/78/605926378.db2.gz GFVPYDFXFKRFNB-SECBINFHSA-N -2 3 292.295 0.151 20 50 CCGDHL CCCNC(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821114188 945638267 /nfs/dbraw/zinc/63/82/67/945638267.db2.gz KMOIKAISFBXGQO-UHFFFAOYSA-N -2 3 295.328 0.282 20 50 CCGDHL O=C([O-])[C@@H]1CC[C@H]1C(=O)N[N-]C(=O)c1ccccc1F ZINC001594783227 953653603 /nfs/dbraw/zinc/65/36/03/953653603.db2.gz WSPFIHGMYFSUTC-HTQZYQBOSA-N -2 3 280.255 0.698 20 50 CCGDHL Cc1cccc(C(=O)[N-]NC(=O)CCC(=O)[O-])n1 ZINC001594388326 958695167 /nfs/dbraw/zinc/69/51/67/958695167.db2.gz VYWNBXIJKFQQDP-UHFFFAOYSA-N -2 3 251.242 0.016 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)[C@@H](C(=O)[O-])C2CCCC2)n1 ZINC001594150160 958785490 /nfs/dbraw/zinc/78/54/90/958785490.db2.gz AXVKLOFNYSJQNV-JTQLQIEISA-N -2 3 294.311 0.819 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC001594159178 958867331 /nfs/dbraw/zinc/86/73/31/958867331.db2.gz HMJUIBMMQRDXBY-GFCCVEGCSA-N -2 3 280.284 0.429 20 50 CCGDHL Cc1n[nH]cc1C(=O)[N-]NC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001594442173 959287750 /nfs/dbraw/zinc/28/77/50/959287750.db2.gz JZKUYMVLSIFDID-JTQLQIEISA-N -2 3 294.311 0.370 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)c1ccc(C(=O)[O-])n1C ZINC001599738905 991817519 /nfs/dbraw/zinc/81/75/19/991817519.db2.gz OPTGRQSGNUMGAO-UHFFFAOYSA-N -2 3 291.267 0.279 20 50 CCGDHL CC(C)(CNC(=O)[O-])C(=O)NNC(=O)c1ccccc1[O-] ZINC000823964353 603794606 /nfs/dbraw/zinc/79/46/06/603794606.db2.gz AZVPCQPBUUESGB-UHFFFAOYSA-N -2 3 295.295 0.447 20 50 CCGDHL O=C([O-])NC1(C(=O)N[N-]C(=O)c2ccccc2F)CC1 ZINC000832175816 604419307 /nfs/dbraw/zinc/41/93/07/604419307.db2.gz NUNLRWNFVQOBLC-UHFFFAOYSA-N -2 3 281.243 0.387 20 50 CCGDHL Cn1cc(CNC([O-])=NNC(=O)[O-])c(C(F)(F)F)n1 ZINC000833945569 605754746 /nfs/dbraw/zinc/75/47/46/605754746.db2.gz ABJWTGXAHDTGIF-UHFFFAOYSA-N -2 3 281.194 0.421 20 50 CCGDHL O=C([O-])NCCCC(=O)N[N-]C(=O)c1cc(C2CC2)[nH]n1 ZINC000834230797 605973961 /nfs/dbraw/zinc/97/39/61/605973961.db2.gz CSTCCKXCQTVYQA-UHFFFAOYSA-N -2 3 295.299 0.096 20 50 CCGDHL O=C([O-])CCNC(=O)N[N-]C(=O)c1ccccc1F ZINC000819492345 955447818 /nfs/dbraw/zinc/44/78/18/955447818.db2.gz CGHBYNWXYWHICD-UHFFFAOYSA-N -2 3 269.232 0.244 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000820881721 955482893 /nfs/dbraw/zinc/48/28/93/955482893.db2.gz PZRUGSQGMOYWRP-UHFFFAOYSA-N -2 3 288.263 0.940 20 50 CCGDHL Cc1cccc(C(=O)[N-]NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)n1 ZINC001594387956 958691755 /nfs/dbraw/zinc/69/17/55/958691755.db2.gz OBBQKSPWOVBXDX-JTQLQIEISA-N -2 3 293.323 0.898 20 50 CCGDHL Cc1cccnc1C(=O)[N-]NC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC001594420319 959054278 /nfs/dbraw/zinc/05/42/78/959054278.db2.gz HOENNYQMOLDGIK-AWEZNQCLSA-N -2 3 291.307 0.652 20 50 CCGDHL COc1ccc([N+](=O)[O-])cc1C(=O)[N-]NC(=O)[O-] ZINC000738068407 978472274 /nfs/dbraw/zinc/47/22/74/978472274.db2.gz JWHYEXVSYUSITC-UHFFFAOYSA-N -2 3 255.186 0.516 20 50 CCGDHL O=C([O-])NCCC(=O)N[N-]C(=O)c1ccccc1F ZINC000739938356 978659523 /nfs/dbraw/zinc/65/95/23/978659523.db2.gz RSCUPFAXYZWHAF-UHFFFAOYSA-N -2 3 269.232 0.244 20 50 CCGDHL CC[C@H](C(=O)[O-])C(=O)N[N-]C(=O)c1ncccc1C ZINC001594755756 981668623 /nfs/dbraw/zinc/66/86/23/981668623.db2.gz QPOMONCQPBJUGE-QMMMGPOBSA-N -2 3 265.269 0.262 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001599738889 991816767 /nfs/dbraw/zinc/81/67/67/991816767.db2.gz NJEYOTHKWLENHL-BDAKNGLRSA-N -2 3 294.311 0.819 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)c1ccccc1C(=O)[O-] ZINC001599739289 991823523 /nfs/dbraw/zinc/82/35/23/991823523.db2.gz UQXZMOUNZLWSPJ-UHFFFAOYSA-N -2 3 288.263 0.940 20 50 CCGDHL COc1ccc(C=C(C#N)C(=O)[O-])cc1-c1nnn[n-]1 ZINC000821786463 945860397 /nfs/dbraw/zinc/86/03/97/945860397.db2.gz DMSFUROZFGUGBD-YWEYNIOJSA-N -2 3 271.236 0.867 20 50 CCGDHL COc1ccc(C=C(C#N)C(=O)[O-])cc1-c1nn[n-]n1 ZINC000821786463 945860409 /nfs/dbraw/zinc/86/04/09/945860409.db2.gz DMSFUROZFGUGBD-YWEYNIOJSA-N -2 3 271.236 0.867 20 50 CCGDHL C=CCNC(=S)N[N-]C(=O)c1ccc(C(=O)[O-])cn1 ZINC001602723172 971394711 /nfs/dbraw/zinc/39/47/11/971394711.db2.gz RAEYEQRFIAHKCC-UHFFFAOYSA-N -2 3 280.309 0.075 20 50 CCGDHL C[C@@](O)(CNC(=O)/C(C#N)=C/c1ccc([O-])cc1)C(=O)[O-] ZINC001589138468 956248480 /nfs/dbraw/zinc/24/84/80/956248480.db2.gz OYZVWSMXIOFYNW-OAUONFCTSA-N -2 3 290.275 0.251 20 50 CCGDHL Cc1cccnc1C(=O)[N-]NC(=O)[C@H](C(=O)[O-])C1CC1 ZINC001594421012 959067784 /nfs/dbraw/zinc/06/77/84/959067784.db2.gz XOXNLFLUPKPZFQ-SECBINFHSA-N -2 3 277.280 0.262 20 50 CCGDHL CC(C)[C@H](C(=O)[O-])C(=O)N[N-]C(=O)c1ccccc1F ZINC001588807597 961482202 /nfs/dbraw/zinc/48/22/02/961482202.db2.gz BUPFTQDNYBDDIA-JTQLQIEISA-N -2 3 282.271 0.944 20 50 CCGDHL O=C([O-])c1ccc(C(=O)NN=c2cccn[n-]2)cn1 ZINC001605820767 972549032 /nfs/dbraw/zinc/54/90/32/972549032.db2.gz CUWRFIBZZSMHMZ-UHFFFAOYSA-N -2 3 259.225 0.327 20 50 CCGDHL CC(C)[C@H](NC(=O)[O-])C(=O)N[N-]C(=O)c1ccccc1F ZINC000736374428 978325898 /nfs/dbraw/zinc/32/58/98/978325898.db2.gz KXERWMQHYLEPGS-JTQLQIEISA-N -2 3 297.286 0.879 20 50 CCGDHL CC[C@@H](C(=O)[O-])C(=O)NNC(=O)c1ccc(C)cc1[O-] ZINC001594755363 981665537 /nfs/dbraw/zinc/66/55/37/981665537.db2.gz HYAIWBRXNAGQIL-MRVPVSSYSA-N -2 3 280.280 0.572 20 50 CCGDHL C[C@@H](CC(=O)NNC(=O)c1ccccc1[O-])NC(=O)[O-] ZINC000824671809 603435500 /nfs/dbraw/zinc/43/55/00/603435500.db2.gz MGMPBCHQWWPIGL-ZETCQYMHSA-N -2 3 281.268 0.199 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)[C@]2(F)CCN(C(=O)[O-])C2)n1 ZINC000829650241 603838282 /nfs/dbraw/zinc/83/82/82/603838282.db2.gz QENXFOYSMYSSDJ-NSHDSACASA-N -2 3 299.262 0.020 20 50 CCGDHL O=C([O-])N[N-]C(=O)c1cccc(OCC(F)F)n1 ZINC000834250438 605574018 /nfs/dbraw/zinc/57/40/18/605574018.db2.gz GOPRABSOAAMKJF-UHFFFAOYSA-N -2 3 261.184 0.638 20 50 CCGDHL O=C([O-])NCCCC(=O)N[N-]C(=O)c1cncc(F)c1 ZINC000834230006 605974919 /nfs/dbraw/zinc/97/49/19/605974919.db2.gz NRRUUDGJTCZCLR-UHFFFAOYSA-N -2 3 284.247 0.030 20 50 CCGDHL O=C([O-])[C@@]1(C(=O)N[N-]C(=O)c2ccccc2F)CCCO1 ZINC001594783319 953655866 /nfs/dbraw/zinc/65/58/66/953655866.db2.gz ZNDHKLPOPLTXCI-ZDUSSCGKSA-N -2 3 296.254 0.221 20 50 CCGDHL O=C([O-])CCC(=O)N[N-]C(=O)c1ccccc1F ZINC000049840361 957480949 /nfs/dbraw/zinc/48/09/49/957480949.db2.gz MRMQDBMMMKWYHK-UHFFFAOYSA-N -2 3 254.217 0.452 20 50 CCGDHL Cc1cccc(C(=O)[N-]NC(=O)CCCCC(=O)[O-])n1 ZINC001594387919 958692266 /nfs/dbraw/zinc/69/22/66/958692266.db2.gz MMYJTFQPTDUITG-UHFFFAOYSA-N -2 3 279.296 0.796 20 50 CCGDHL CC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000795277056 978831560 /nfs/dbraw/zinc/83/15/60/978831560.db2.gz YKESAOSYLVGIGS-UHFFFAOYSA-N -3 3 272.282 0.023 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)c2ccccc2C(=O)[O-])n1 ZINC001599722558 991564401 /nfs/dbraw/zinc/56/44/01/991564401.db2.gz MGULSHPDAIJDBL-UHFFFAOYSA-N -2 3 288.263 0.940 20 50 CCGDHL COC(=O)N[N-]C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001598884382 996866051 /nfs/dbraw/zinc/86/60/51/996866051.db2.gz XIPVLHHYRXZYAJ-UHFFFAOYSA-N -2 3 283.196 0.294 20 50 CCGDHL CC(C)C(=O)[N-][N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000826658316 600671616 /nfs/dbraw/zinc/67/16/16/600671616.db2.gz MHDAMWWQCAKOJI-UHFFFAOYSA-N -3 3 292.338 0.412 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)[C@H](C(=O)[O-])C1CCCC1 ZINC001594159558 958872254 /nfs/dbraw/zinc/87/22/54/958872254.db2.gz QQRYMCGYQJEEJZ-SECBINFHSA-N -2 3 294.311 0.819 20 50 CCGDHL O=C([O-])C1CCC(=N[N-]C(=O)c2ncccn2)CC1 ZINC001605814556 972535659 /nfs/dbraw/zinc/53/56/59/972535659.db2.gz GZWRFNYVDAZAQA-UHFFFAOYSA-N -2 3 262.269 0.837 20 50 CCGDHL CCC(=O)[N-][N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000737771670 978444805 /nfs/dbraw/zinc/44/48/05/978444805.db2.gz MYBMSTQLMXIEEW-UHFFFAOYSA-N -3 3 290.272 0.243 20 50 CCGDHL CC[C@@H](C(=O)[O-])C(=O)N[N-]C(=O)c1ccccc1F ZINC001594755065 981663389 /nfs/dbraw/zinc/66/33/89/981663389.db2.gz AFSULUUJHSPNNI-SSDOTTSWSA-N -2 3 268.244 0.698 20 50 CCGDHL C[C@H]1CC[C@@H](C(=O)N[N-]C(=O)c2ccc(C(=O)[O-])cn2)O1 ZINC001599906592 984930399 /nfs/dbraw/zinc/93/03/99/984930399.db2.gz DRYNVPYPAHIBRB-XVKPBYJWSA-N -2 3 293.279 0.108 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)c2cc(C(=O)[O-])ccn2)n1 ZINC001599722761 991568334 /nfs/dbraw/zinc/56/83/34/991568334.db2.gz QWNLHZCMDHLAJJ-UHFFFAOYSA-N -2 3 289.251 0.335 20 50 CCGDHL Cn1cc(C(=O)[N-]NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cn1 ZINC000833041435 600958940 /nfs/dbraw/zinc/95/89/40/600958940.db2.gz LIXWRFYHFIJQSK-BDAKNGLRSA-N -2 3 294.311 0.072 20 50 CCGDHL O=C([O-])NCC(=O)N[N-]C(=O)c1c(O)cccc1Cl ZINC000834203257 605468244 /nfs/dbraw/zinc/46/82/44/605468244.db2.gz LHDKHGQRWNQFMG-UHFFFAOYSA-N -2 3 287.659 0.074 20 50 CCGDHL O=C([O-])c1ccc[nH]c1=NNC(=O)c1cccc(O)c1[O-] ZINC001595262179 949682536 /nfs/dbraw/zinc/68/25/36/949682536.db2.gz UCKKGVAQSBMEDP-UHFFFAOYSA-N -2 3 289.247 0.948 20 50 CCGDHL O=C([O-])c1cc(C(=O)N[N-]C(=O)c2ccccc2F)[nH]n1 ZINC001594780099 953622601 /nfs/dbraw/zinc/62/26/01/953622601.db2.gz INJPZRSVELNSGX-UHFFFAOYSA-N -2 3 292.226 0.322 20 50 CCGDHL CCC(CC)(C(=O)[O-])C(=O)NN=c1nc(OC)cc[n-]1 ZINC001589475687 954955834 /nfs/dbraw/zinc/95/58/34/954955834.db2.gz GZTZZIRHSLDUGK-UHFFFAOYSA-N -2 3 282.300 0.819 20 50 CCGDHL Cc1cc(C)[n-]c(=NNC(=O)NCCSCC(=O)[O-])n1 ZINC000738379816 978531125 /nfs/dbraw/zinc/53/11/25/978531125.db2.gz RSGMUPKHUOKZTB-UHFFFAOYSA-N -2 3 299.356 0.537 20 50 CCGDHL Cc1ccc(C(=O)NNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c([O-])c1 ZINC000738513476 978550308 /nfs/dbraw/zinc/55/03/08/978550308.db2.gz MVQINZFZKYERNV-BDAKNGLRSA-N -2 3 278.264 0.182 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)[C@H](C)CC(=O)[O-] ZINC001599738945 991818283 /nfs/dbraw/zinc/81/82/83/991818283.db2.gz QJTFZUBVYKSGPX-ZCFIWIBFSA-N -2 3 254.246 0.039 20 50 CCGDHL O=C([O-])NCC(=O)NN=Cc1ccc([O-])c(F)c1 ZINC000834201283 605384759 /nfs/dbraw/zinc/38/47/59/605384759.db2.gz IIIDTRIJMSQMKO-UHFFFAOYSA-N -2 3 255.205 0.249 20 50 CCGDHL N#C/C(=C\c1ccc([O-])cc1)C(=O)NCCC(=O)[O-] ZINC001601045833 970922105 /nfs/dbraw/zinc/92/21/05/970922105.db2.gz KIUNHNANWLWWBQ-JXMROGBWSA-N -2 3 260.249 0.890 20 50 CCGDHL CCOC(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821335181 945672163 /nfs/dbraw/zinc/67/21/63/945672163.db2.gz ZUJHTTDNSOZAEU-UHFFFAOYSA-N -2 3 282.285 0.319 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC001594159792 958873459 /nfs/dbraw/zinc/87/34/59/958873459.db2.gz XRDNIKYJYXPLNQ-ZETCQYMHSA-N -2 3 282.300 0.675 20 50 CCGDHL CC[C@H](C)C(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736870496 978363638 /nfs/dbraw/zinc/36/36/38/978363638.db2.gz YBWOBICZKZPTOJ-LURJTMIESA-N -3 3 290.297 0.333 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)C[C@H](C)CC(=O)[O-])n1 ZINC001599722755 991568012 /nfs/dbraw/zinc/56/80/12/991568012.db2.gz QPWJRYPRXAHOTQ-ZETCQYMHSA-N -2 3 268.273 0.429 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)CCCCC(=O)[O-] ZINC001599738347 991809100 /nfs/dbraw/zinc/80/91/00/991809100.db2.gz GCNBPCMHKZHMEM-UHFFFAOYSA-N -2 3 268.273 0.573 20 50 CCGDHL CC(C)(C)[C@H](C(=O)[O-])C(=O)NNC(=O)c1ccccc1[O-] ZINC001588633418 959628134 /nfs/dbraw/zinc/62/81/34/959628134.db2.gz IAOFKNFKMFZTMF-JTQLQIEISA-N -2 3 294.307 0.900 20 50 CCGDHL CC[C@@H](C)C(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736870497 978363392 /nfs/dbraw/zinc/36/33/92/978363392.db2.gz YBWOBICZKZPTOJ-ZCFIWIBFSA-N -3 3 290.297 0.333 20 50 CCGDHL Cc1ccc(C(=O)NNC(=O)CCCNC(=O)[O-])c([O-])c1 ZINC000738513490 978550416 /nfs/dbraw/zinc/55/04/16/978550416.db2.gz NPOOYVUEFAESPT-UHFFFAOYSA-N -2 3 295.295 0.509 20 50 CCGDHL Cc1n[nH]cc1C(=O)[N-]NC(=O)c1ccc(C(=O)[O-])s1 ZINC000738827005 978603480 /nfs/dbraw/zinc/60/34/80/978603480.db2.gz DILJWOKBCNWKTI-UHFFFAOYSA-N -2 3 294.292 0.553 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)[C@@H](C)CC(=O)[O-] ZINC001599738943 991818224 /nfs/dbraw/zinc/81/82/24/991818224.db2.gz QJTFZUBVYKSGPX-LURJTMIESA-N -2 3 254.246 0.039 20 50 CCGDHL Cc1cccnc1C(=O)[N-]NC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000833909913 605926416 /nfs/dbraw/zinc/92/64/16/605926416.db2.gz GFVPYDFXFKRFNB-VIFPVBQESA-N -2 3 292.295 0.151 20 50 CCGDHL O=C([O-])c1ccc[nH]c1=N[N-]C(=O)c1ncccn1 ZINC001594781583 953634364 /nfs/dbraw/zinc/63/43/64/953634364.db2.gz QHAOJFPYEKASHX-UHFFFAOYSA-N -2 3 259.225 0.327 20 50 CCGDHL CC(=O)[N-][N-]S(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC001589149908 985467731 /nfs/dbraw/zinc/46/77/31/985467731.db2.gz ICVSUNDUQZBPOZ-UHFFFAOYSA-N -3 3 278.311 0.084 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)n1 ZINC001599722870 991569939 /nfs/dbraw/zinc/56/99/39/991569939.db2.gz WSZUKNNTPRSNMD-JGVFFNPUSA-N -2 3 280.284 0.429 20 50 CCGDHL Cn1cc(C(=O)[N-]NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cn1 ZINC000833041438 600958992 /nfs/dbraw/zinc/95/89/92/600958992.db2.gz LIXWRFYHFIJQSK-IUCAKERBSA-N -2 3 294.311 0.072 20 50 CCGDHL CCC(=O)[N-][N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000828570635 601854680 /nfs/dbraw/zinc/85/46/80/601854680.db2.gz PHOCQTUULZRRTG-UHFFFAOYSA-N -3 3 290.272 0.243 20 50 CCGDHL C[C@H](CC(=O)[O-])C(=O)N[N-]C(=O)c1ccccc1F ZINC000827303941 602067512 /nfs/dbraw/zinc/06/75/12/602067512.db2.gz MBVDYOGMHKHQHZ-SSDOTTSWSA-N -2 3 268.244 0.698 20 50 CCGDHL O=C([O-])N1CC(NC(=O)NN=c2cncc(Cl)[n-]2)C1 ZINC000831742572 604623693 /nfs/dbraw/zinc/62/36/93/604623693.db2.gz KQQZIVAIOIKNJB-UHFFFAOYSA-N -2 3 286.679 0.118 20 50 CCGDHL Cc1cc(C(=O)[N-]NC(=O)CNC(=O)[O-])c(F)cc1F ZINC000833899322 605459121 /nfs/dbraw/zinc/45/91/21/605459121.db2.gz ZXGXDNVHNLWKDG-UHFFFAOYSA-N -2 3 287.222 0.302 20 50 CCGDHL O=C([O-])NCCCC(=O)N[N-]C(=O)c1ccnc(F)c1 ZINC000834229706 605978078 /nfs/dbraw/zinc/97/80/78/605978078.db2.gz GSBBABDPSVGGCT-UHFFFAOYSA-N -2 3 284.247 0.030 20 50 CCGDHL Cc1cccnc1C(=O)[N-]NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC001594419983 959048241 /nfs/dbraw/zinc/04/82/41/959048241.db2.gz DGUHIWPFTDJVKE-BDAKNGLRSA-N -2 3 277.280 0.262 20 50 CCGDHL CSSCC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000397843220 973027164 /nfs/dbraw/zinc/02/71/64/973027164.db2.gz HJABKJNOSZYJIN-UHFFFAOYSA-N -2 3 297.383 0.397 20 50 CCGDHL CC[C@H](CNC(=O)NN=c1ncc(Cl)c[n-]1)C(=O)[O-] ZINC001603565632 973685607 /nfs/dbraw/zinc/68/56/07/973685607.db2.gz GLLPTTYQDGFGPD-ZCFIWIBFSA-N -2 3 287.707 0.867 20 50 CCGDHL CC(C)[C@@H](NC(=O)[O-])C(=O)N[N-]C(=O)c1ccccc1F ZINC000736374429 978325510 /nfs/dbraw/zinc/32/55/10/978325510.db2.gz KXERWMQHYLEPGS-SNVBAGLBSA-N -2 3 297.286 0.879 20 50 CCGDHL CCCNC(=O)N[N-]C(=O)c1ccc(C(=O)[O-])cn1 ZINC001595925752 983044692 /nfs/dbraw/zinc/04/46/92/983044692.db2.gz JFHIMLIAQFCAIS-UHFFFAOYSA-N -2 3 266.257 0.134 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)c2ccc(C(=O)[O-])cn2)n1 ZINC001599722615 991565815 /nfs/dbraw/zinc/56/58/15/991565815.db2.gz NRJDHCUWFDDXBK-UHFFFAOYSA-N -2 3 289.251 0.335 20 50 CCGDHL CC(C)(C)c1cc(C(=O)[N-]NC(=O)CCNC(=O)[O-])n[nH]1 ZINC000823854400 604939321 /nfs/dbraw/zinc/93/93/21/604939321.db2.gz MDQIMFCSDXBXRU-UHFFFAOYSA-N -2 3 297.315 0.126 20 50 CCGDHL O=C([O-])CCCNC(=O)NN=c1[n-]cc(F)cc1F ZINC000840992600 955577370 /nfs/dbraw/zinc/57/73/70/955577370.db2.gz SPUZFBYCKVZDJJ-UHFFFAOYSA-N -2 3 274.227 0.851 20 50 CCGDHL Cc1cccc(C(=O)[N-]NC(=O)C2(CC(=O)[O-])CCC2)n1 ZINC001594388255 958695529 /nfs/dbraw/zinc/69/55/29/958695529.db2.gz TVXUEROPZVYRRI-UHFFFAOYSA-N -2 3 291.307 0.796 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)[C@H](C(=O)[O-])C2CCCC2)n1 ZINC001594150162 958785664 /nfs/dbraw/zinc/78/56/64/958785664.db2.gz AXVKLOFNYSJQNV-SNVBAGLBSA-N -2 3 294.311 0.819 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)[C@]1(C(=O)[O-])CC1(C)C ZINC001594159180 958866665 /nfs/dbraw/zinc/86/66/65/958866665.db2.gz HMJUIBMMQRDXBY-LBPRGKRZSA-N -2 3 280.284 0.429 20 50 CCGDHL C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N[N-]C(=O)c1ccccc1F ZINC001594228251 959452530 /nfs/dbraw/zinc/45/25/30/959452530.db2.gz UAWLSKGBDWXMDS-UHLUBPPHSA-N -2 3 280.255 0.698 20 50 CCGDHL CC[C@@H](CNC(=O)NN=c1ncc(Cl)c[n-]1)C(=O)[O-] ZINC001603565631 973685711 /nfs/dbraw/zinc/68/57/11/973685711.db2.gz GLLPTTYQDGFGPD-LURJTMIESA-N -2 3 287.707 0.867 20 50 CCGDHL CC(C)[C@@H](NC(=O)[O-])C(=O)NNC(=O)c1ccccc1[O-] ZINC000736377288 978327431 /nfs/dbraw/zinc/32/74/31/978327431.db2.gz ZBPSWCMBENNVJY-SNVBAGLBSA-N -2 3 295.295 0.445 20 50 CCGDHL Cc1n[nH]cc1C(=O)[N-]NC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000830677219 602882317 /nfs/dbraw/zinc/88/23/17/602882317.db2.gz DSWKNNSVVNDHQO-MRVPVSSYSA-N -2 3 295.299 0.012 20 50 CCGDHL O=C([O-])NCc1ccc(C(=O)NN=c2cccn[n-]2)o1 ZINC000832702845 603638021 /nfs/dbraw/zinc/63/80/21/603638021.db2.gz YLUJYHANAHDVMQ-UHFFFAOYSA-N -2 3 277.240 0.594 20 50 CCGDHL C[C@@](O)(CNC(=O)/C(C#N)=C\c1ccc([O-])cc1)C(=O)[O-] ZINC001589138467 956247920 /nfs/dbraw/zinc/24/79/20/956247920.db2.gz OYZVWSMXIOFYNW-LBIZBFCRSA-N -2 3 290.275 0.251 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001594159592 958871183 /nfs/dbraw/zinc/87/11/83/958871183.db2.gz SSGWYVOCBPERGR-RNFRBKRXSA-N -2 3 266.257 0.039 20 50 CCGDHL Cc1cccnc1C(=O)[N-]NC(=O)C(C)(C)C(=O)[O-] ZINC001594420079 959050896 /nfs/dbraw/zinc/05/08/96/959050896.db2.gz FUBPSVZDCDPCBB-UHFFFAOYSA-N -2 3 265.269 0.262 20 50 CCGDHL O=C([O-])[C@H](C(=O)N[N-]C(=O)c1ccccc1F)C1CC1 ZINC001605814622 972536858 /nfs/dbraw/zinc/53/68/58/972536858.db2.gz KYGOUVDGTQUFFN-JTQLQIEISA-N -2 3 280.255 0.698 20 50 CCGDHL CC[C@@H](C(=O)[O-])C(=O)NN=c1nc(OC)cc[n-]1 ZINC001594755848 981670298 /nfs/dbraw/zinc/67/02/98/981670298.db2.gz VEMHHJYHHYMEIN-ZCFIWIBFSA-N -2 3 254.246 0.039 20 50 CCGDHL CC(C)(CNC(=O)NN=c1[n-]cncc1Cl)C(=O)[O-] ZINC001590726743 990521180 /nfs/dbraw/zinc/52/11/80/990521180.db2.gz YSNBNEXHBVVZMD-UHFFFAOYSA-N -2 3 287.707 0.867 20 50 CCGDHL Cc1cc(C)[n-]c(=NNC(=O)NCC(C)(C)C(=O)[O-])n1 ZINC000832880755 601687525 /nfs/dbraw/zinc/68/75/25/601687525.db2.gz VVUYGCYDPXTODD-UHFFFAOYSA-N -2 3 281.316 0.830 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)n1 ZINC000829651151 603465992 /nfs/dbraw/zinc/46/59/92/603465992.db2.gz XNHOOONIMXINAO-YUMQZZPRSA-N -2 3 295.299 0.365 20 50 CCGDHL O=C([O-])CCCNC(=O)N[N-]C(=O)c1ccccc1F ZINC000819442966 955444828 /nfs/dbraw/zinc/44/48/28/955444828.db2.gz CXDPBHMMUYODJC-UHFFFAOYSA-N -2 3 283.259 0.635 20 50 CCGDHL CCC(=O)[N-][N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000736848449 978362340 /nfs/dbraw/zinc/36/23/40/978362340.db2.gz VMGYVGXBYKBCIL-UHFFFAOYSA-N -3 3 290.272 0.243 20 50 CCGDHL Cc1ccc(C(=O)NNC(=O)[C@@H]2C[C@H]2C(=O)[O-])c([O-])c1 ZINC000738513479 978550749 /nfs/dbraw/zinc/55/07/49/978550749.db2.gz MVQINZFZKYERNV-RKDXNWHRSA-N -2 3 278.264 0.182 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001599738892 991817139 /nfs/dbraw/zinc/81/71/39/991817139.db2.gz NJEYOTHKWLENHL-RKDXNWHRSA-N -2 3 294.311 0.819 20 50 CCGDHL COc1cc(C(=O)[N-]N=c2ccc(C(=O)[O-])c[nH]2)ncn1 ZINC001599355129 998165642 /nfs/dbraw/zinc/16/56/42/998165642.db2.gz GEHGWGOBJVNANL-UHFFFAOYSA-N -2 3 289.251 0.335 20 50 CCGDHL O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[N-]C(=O)c1ccccc1F ZINC001601556366 971016029 /nfs/dbraw/zinc/01/60/29/971016029.db2.gz WSPFIHGMYFSUTC-JGVFFNPUSA-N -2 3 280.255 0.698 20 50 CCGDHL C[C@@](C#N)(CC(=O)[O-])C(=O)N[N-]C(=O)c1ccccc1F ZINC000819848695 955458052 /nfs/dbraw/zinc/45/80/52/955458052.db2.gz UTQFEOKJGNEWNK-ZDUSSCGKSA-N -2 3 293.254 0.591 20 50 CCGDHL C[C@@H](C(=O)[O-])C(=O)NN=c1ncc(Br)c[n-]1 ZINC000848454357 955745321 /nfs/dbraw/zinc/74/53/21/955745321.db2.gz MDQFBAMPWGBBEQ-SCSAIBSYSA-N -2 3 289.089 0.403 20 50 CCGDHL C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NNC(=O)c1ccccc1[O-] ZINC001594228097 959449724 /nfs/dbraw/zinc/44/97/24/959449724.db2.gz HKVDIAHFRNGPAY-UHLUBPPHSA-N -2 3 278.264 0.264 20 50 CCGDHL C[C@H](CC(=O)[O-])C(=O)NN=c1ncc(Cl)c[n-]1 ZINC001592359904 977844536 /nfs/dbraw/zinc/84/45/36/977844536.db2.gz NMQKYRNYYMIEFB-RXMQYKEDSA-N -2 3 258.665 0.684 20 50 CCGDHL Cn1cc(C(=O)[N-]NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cn1 ZINC000833041436 600958930 /nfs/dbraw/zinc/95/89/30/600958930.db2.gz LIXWRFYHFIJQSK-DTWKUNHWSA-N -2 3 294.311 0.072 20 50 CCGDHL Cc1ccc(C(=O)NNC(=O)C[C@@H](C)NC(=O)[O-])c([O-])c1 ZINC000830225744 603497944 /nfs/dbraw/zinc/49/79/44/603497944.db2.gz WCCSCTPLHIRELD-MRVPVSSYSA-N -2 3 295.295 0.508 20 50 CCGDHL O=C([O-])NCCC(=O)NN=Cc1cc(F)ccc1[O-] ZINC000834227558 605747743 /nfs/dbraw/zinc/74/77/43/605747743.db2.gz HQODMJZNMNTKPI-UHFFFAOYSA-N -2 3 269.232 0.639 20 50 CCGDHL CC(C)NC(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820138272 945359049 /nfs/dbraw/zinc/35/90/49/945359049.db2.gz STKZQPHVDPNKJB-UHFFFAOYSA-N -2 3 295.328 0.281 20 50 CCGDHL Cn1cc(C(=O)[N-]NC(=O)c2ccc(C(=O)[O-])cc2)cn1 ZINC000739023891 955251954 /nfs/dbraw/zinc/25/19/54/955251954.db2.gz ZYSGGDMQTAVBHD-UHFFFAOYSA-N -2 3 288.263 0.193 20 50 CCGDHL Cn1cc(C(=O)[N-]NC(=O)NCCCCCC(=O)[O-])cn1 ZINC000739023194 955252485 /nfs/dbraw/zinc/25/24/85/955252485.db2.gz QQFFRDAFWCGEQM-UHFFFAOYSA-N -2 3 297.315 0.009 20 50 CCGDHL O=C([O-])CCCNC(=O)NN=c1cncc(Cl)[n-]1 ZINC000819443227 955445808 /nfs/dbraw/zinc/44/58/08/955445808.db2.gz RZKUPAXWXYYCSG-UHFFFAOYSA-N -2 3 273.680 0.621 20 50 CCGDHL CO[C@](C)(C(=O)[O-])C(=O)NN=c1ncc(Cl)c[n-]1 ZINC001593927255 956141939 /nfs/dbraw/zinc/14/19/39/956141939.db2.gz VKIZDMCYNMFZCP-VIFPVBQESA-N -2 3 274.664 0.063 20 50 CCGDHL CC[C@@](C)(NCC(=O)N[N-]C(=O)c1cccs1)C(=O)[O-] ZINC000094229186 958275782 /nfs/dbraw/zinc/27/57/82/958275782.db2.gz KZQQEPSWFGZZLF-GFCCVEGCSA-N -2 3 299.352 0.352 20 50 CCGDHL Cc1cccnc1C(=O)[N-]NC(=O)C1(C(=O)[O-])CCC1 ZINC001594420028 959048826 /nfs/dbraw/zinc/04/88/26/959048826.db2.gz DWAJACNZPSDBNR-UHFFFAOYSA-N -2 3 277.280 0.406 20 50 CCGDHL Cc1ccc(C(=O)NNC(=O)[C@H]2C[C@H]2C(=O)[O-])c([O-])c1 ZINC000738513477 978550686 /nfs/dbraw/zinc/55/06/86/978550686.db2.gz MVQINZFZKYERNV-DTWKUNHWSA-N -2 3 278.264 0.182 20 50 CCGDHL O=C([O-])[C@H]1C[C@H]1C(=O)N[N-]C(=O)c1ccccc1F ZINC000739454113 978639693 /nfs/dbraw/zinc/63/96/93/978639693.db2.gz QJASLILUYONJSQ-SFYZADRCSA-N -2 3 266.228 0.307 20 50 CCGDHL Cc1n[nH]cc1C(=O)[N-]NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000832991163 600940950 /nfs/dbraw/zinc/94/09/50/600940950.db2.gz RGGPSWYOQJLIKK-BDAKNGLRSA-N -2 3 294.311 0.370 20 50 CCGDHL O=C([O-])N1CCC[C@H]1C(=O)NNC(=O)c1ccccc1[O-] ZINC000831736172 604002007 /nfs/dbraw/zinc/00/20/07/604002007.db2.gz HYNBSBGXMWDBGX-VIFPVBQESA-N -2 3 293.279 0.296 20 50 CCGDHL O=C([O-])c1cnc(C(=O)NN=c2ncc(Cl)c[n-]2)cn1 ZINC001606537759 974062058 /nfs/dbraw/zinc/06/20/58/974062058.db2.gz UIURUTOWTJXCHS-UHFFFAOYSA-N -2 3 294.658 0.375 20 50 CCGDHL CC(C)CCC(=O)N[N-]C(=O)c1ccc(C(=O)[O-])cn1 ZINC000736429514 978334373 /nfs/dbraw/zinc/33/43/73/978334373.db2.gz ZFLNJLVBBNITCV-UHFFFAOYSA-N -2 3 279.296 0.977 20 50 CCGDHL C[C@H](CC(=O)N[N-]C(=O)c1ccccc1F)NC(=O)[O-] ZINC000824672524 603221374 /nfs/dbraw/zinc/22/13/74/603221374.db2.gz YIEFDASTSKDAMT-SSDOTTSWSA-N -2 3 283.259 0.633 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)n1 ZINC000829651146 603465975 /nfs/dbraw/zinc/46/59/75/603465975.db2.gz XNHOOONIMXINAO-JGVFFNPUSA-N -2 3 295.299 0.365 20 50 CCGDHL O=C([O-])N[N-]C(=O)c1ccncc1Br ZINC000832748984 604283871 /nfs/dbraw/zinc/28/38/71/604283871.db2.gz YQQTYLYKXBKOGU-UHFFFAOYSA-N -2 3 260.047 0.757 20 50 CCGDHL O=C([O-])c1ccc(C(=O)[N-]NC(=O)CC(F)(F)F)nc1 ZINC001594676077 956665241 /nfs/dbraw/zinc/66/52/41/956665241.db2.gz VOPRXCXARAHVPU-UHFFFAOYSA-N -2 3 291.185 0.493 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC001594159559 958871630 /nfs/dbraw/zinc/87/16/30/958871630.db2.gz QQRYMCGYQJEEJZ-VIFPVBQESA-N -2 3 294.311 0.819 20 50 CCGDHL CC(C)[C@H](C(=O)[O-])C(=O)NN=c1ncc(Cl)c[n-]1 ZINC001588807938 961486165 /nfs/dbraw/zinc/48/61/65/961486165.db2.gz FRUKFURCISLTOJ-ZETCQYMHSA-N -2 3 272.692 0.930 20 50 CCGDHL C[C@@H](CC(=O)[O-])NC(=O)N[N-]C(=O)c1ccccc1F ZINC001609885204 970572521 /nfs/dbraw/zinc/57/25/21/970572521.db2.gz HVHMSGMHWOQMEH-ZETCQYMHSA-N -2 3 283.259 0.633 20 50 CCGDHL O=C([O-])c1ccc(C(=O)[N-]NC(=O)c2ccccc2)nc1 ZINC000914837009 982660802 /nfs/dbraw/zinc/66/08/02/982660802.db2.gz WJCMNWJEYCWMLB-UHFFFAOYSA-N -2 3 285.259 0.855 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)CC(C)(C)CC(=O)[O-] ZINC001599739453 991825317 /nfs/dbraw/zinc/82/53/17/991825317.db2.gz YFVVNNAOHATAID-UHFFFAOYSA-N -2 3 282.300 0.819 20 50 CCGDHL C[C@H](CC(=O)[O-])C(=O)NNC(=O)c1ccccc1[O-] ZINC000827303084 602266090 /nfs/dbraw/zinc/26/60/90/602266090.db2.gz AXEQQEWIXQWNSA-SSDOTTSWSA-N -2 3 266.253 0.264 20 50 CCGDHL O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)NN=c1cccn[n-]1 ZINC000832472766 603858272 /nfs/dbraw/zinc/85/82/72/603858272.db2.gz ADGNXOAMWLDNJG-DTWKUNHWSA-N -2 3 294.315 0.539 20 50 CCGDHL CC[C@H](NC(=O)[O-])C(=O)NNC(=O)c1ccccc1[O-] ZINC000827524369 605154065 /nfs/dbraw/zinc/15/40/65/605154065.db2.gz IOCSUPFIVNAEIT-QMMMGPOBSA-N -2 3 281.268 0.199 20 50 CCGDHL O=C([O-])c1ccc(C(=O)[N-]NC(=O)c2ccc[nH]2)nc1 ZINC001595220930 949246022 /nfs/dbraw/zinc/24/60/22/949246022.db2.gz PWFCJWJHDXZUCX-UHFFFAOYSA-N -2 3 274.236 0.183 20 50 CCGDHL Cc1cccnc1C(=O)[N-]NC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001594419990 959048633 /nfs/dbraw/zinc/04/86/33/959048633.db2.gz DGUHIWPFTDJVKE-RKDXNWHRSA-N -2 3 277.280 0.262 20 50 CCGDHL CC(C)[C@@H](C(=O)[O-])C(=O)N[N-]C(=O)c1ccccc1F ZINC001588807598 961481973 /nfs/dbraw/zinc/48/19/73/961481973.db2.gz BUPFTQDNYBDDIA-SNVBAGLBSA-N -2 3 282.271 0.944 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)[C@@H](C)CN(C)C(=O)[O-])n1 ZINC000829649634 604089217 /nfs/dbraw/zinc/08/92/17/604089217.db2.gz JYCILXJZNHTZLK-ZETCQYMHSA-N -2 3 283.288 0.174 20 50 CCGDHL O=C([O-])N[N-]C(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000832748408 605246680 /nfs/dbraw/zinc/24/66/80/605246680.db2.gz JNFDNMFJOJIVEW-UHFFFAOYSA-N -2 3 267.216 0.623 20 50 CCGDHL O=C([O-])NCCC(=O)NN=Cc1ccc([O-])c(F)c1 ZINC000834227394 605747016 /nfs/dbraw/zinc/74/70/16/605747016.db2.gz RPPMUUNTAYDLFQ-UHFFFAOYSA-N -2 3 269.232 0.639 20 50 CCGDHL O=C([O-])[C@]1(C(=O)NN=c2ncc(Cl)c[n-]2)CCCO1 ZINC001594867358 954320603 /nfs/dbraw/zinc/32/06/03/954320603.db2.gz LZVWEHXFDTTZJD-SNVBAGLBSA-N -2 3 286.675 0.207 20 50 CCGDHL C[C@H](CNC(=O)NN=c1ncc(Cl)c[n-]1)C(=O)[O-] ZINC001603184050 972285490 /nfs/dbraw/zinc/28/54/90/972285490.db2.gz RGYOELWMVHIGCU-RXMQYKEDSA-N -2 3 273.680 0.477 20 50 CCGDHL C[C@@H]1CC[C@H](C(=O)N[N-]C(=O)c2ccc(C(=O)[O-])cn2)O1 ZINC001594215513 959324620 /nfs/dbraw/zinc/32/46/20/959324620.db2.gz DRYNVPYPAHIBRB-GMSGAONNSA-N -2 3 293.279 0.108 20 50 CCGDHL C[C@@H](CC(=O)[O-])C(=O)NN=c1ncc(Cl)c[n-]1 ZINC001592359905 977844576 /nfs/dbraw/zinc/84/45/76/977844576.db2.gz NMQKYRNYYMIEFB-YFKPBYRVSA-N -2 3 258.665 0.684 20 50 CCGDHL O=C([O-])N1CCC(NC(=O)NN=c2cccn[n-]2)CC1 ZINC000738506619 978548930 /nfs/dbraw/zinc/54/89/30/978548930.db2.gz DFHYKTYSOGZPOU-UHFFFAOYSA-N -2 3 280.288 0.245 20 50 CCGDHL CC(C)C(=O)N[N-]C(=O)c1ccc(C(=O)[O-])cc1F ZINC001590938293 990961112 /nfs/dbraw/zinc/96/11/12/990961112.db2.gz BHBOMSOBTKRBNB-UHFFFAOYSA-N -2 3 268.244 0.941 20 50 CCGDHL CCNC(=O)N(C)[N-]C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000825471379 609166038 /nfs/dbraw/zinc/16/60/38/609166038.db2.gz SVTUPBZVTMPGQC-UHFFFAOYSA-N -2 3 295.328 0.234 20 50 CCGDHL C[C@H](CN(C)CC(=O)N[N-]C(=O)c1cccs1)C(=O)[O-] ZINC000042706513 948879904 /nfs/dbraw/zinc/87/99/04/948879904.db2.gz BDTVQZPKMJQROW-MRVPVSSYSA-N -2 3 299.352 0.162 20 50 CCGDHL Cc1cccnc1C(=O)[N-]NC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC001594421013 959068066 /nfs/dbraw/zinc/06/80/66/959068066.db2.gz XOXNLFLUPKPZFQ-VIFPVBQESA-N -2 3 277.280 0.262 20 50 CCGDHL O=C([O-])c1ccc[nH]c1=N[N-]C(=O)c1n[nH]cc1F ZINC001606529071 974042876 /nfs/dbraw/zinc/04/28/76/974042876.db2.gz XUURGWXUEDOWLD-UHFFFAOYSA-N -2 3 265.204 0.399 20 50 CCGDHL Cc1n[nH]cc1C(=O)[N-]NC(=O)[C@@H](CC(C)C)NC(=O)[O-] ZINC000738827006 978603746 /nfs/dbraw/zinc/60/37/46/978603746.db2.gz DJCGVDHJCLTOIB-SECBINFHSA-N -2 3 297.315 0.161 20 50 CCGDHL CC(=NNC(=O)C(=O)[O-])c1cc(Cl)ccc1[O-] ZINC001589010547 984980474 /nfs/dbraw/zinc/98/04/74/984980474.db2.gz BDUFGFGMZXKDEI-UHFFFAOYSA-N -2 3 256.645 0.970 20 50 CCGDHL Cc1cccnc1C(=O)[N-]NC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000833910897 605926370 /nfs/dbraw/zinc/92/63/70/605926370.db2.gz QEEORCGVPGQEHB-VIFPVBQESA-N -2 3 294.311 0.397 20 50 CCGDHL Cc1cccnc1C(=O)[N-]NC(=O)CC1CN(C(=O)[O-])C1 ZINC000833911499 605927252 /nfs/dbraw/zinc/92/72/52/605927252.db2.gz WOPQTGDLCXPROY-UHFFFAOYSA-N -2 3 292.295 0.151 20 50 CCGDHL Cc1cc(C)[n-]c(=NNC(=O)NCCC(=O)[O-])n1 ZINC000818814438 955425848 /nfs/dbraw/zinc/42/58/48/955425848.db2.gz XKOMDVGWAYKFJZ-UHFFFAOYSA-N -2 3 253.262 0.194 20 50 CCGDHL C[C@@](C#N)(CC(=O)[O-])C(=O)NNC(=O)c1ccccc1[O-] ZINC000819847417 955456402 /nfs/dbraw/zinc/45/64/02/955456402.db2.gz MBEMGZNNKRYCQJ-ZDUSSCGKSA-N -2 3 291.263 0.158 20 50 CCGDHL Cc1cccnc1C(=O)[N-]NC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000821125388 955492210 /nfs/dbraw/zinc/49/22/10/955492210.db2.gz JAFRTKZOYFTOCR-ZDUSSCGKSA-N -2 3 290.279 0.156 20 50 CCGDHL O=C([O-])c1ccc(C(=O)NN=c2cccn[n-]2)nc1 ZINC001606478972 973960418 /nfs/dbraw/zinc/96/04/18/973960418.db2.gz ZUWIAJQQIUAJHB-UHFFFAOYSA-N -2 3 259.225 0.327 20 50 CCGDHL O=C([O-])[C@@H]1C[C@@H]1C(=O)N[N-]C(=O)c1ccccc1F ZINC000739454112 978639666 /nfs/dbraw/zinc/63/96/66/978639666.db2.gz QJASLILUYONJSQ-JGVFFNPUSA-N -2 3 266.228 0.307 20 50 CCGDHL CC(C)(CC=N[N-]C(=O)c1ncccn1)C(=O)[O-] ZINC001590654918 990349761 /nfs/dbraw/zinc/34/97/61/990349761.db2.gz YZYDADJYLNNZJX-UHFFFAOYSA-N -2 3 250.258 0.693 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)C[C@H](C)CC(=O)[O-] ZINC001599738567 991812641 /nfs/dbraw/zinc/81/26/41/991812641.db2.gz KKJHSOQLUZUISD-ZETCQYMHSA-N -2 3 268.273 0.429 20 50 CCGDHL O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)NN=c1cccn[n-]1 ZINC000832472768 603858525 /nfs/dbraw/zinc/85/85/25/603858525.db2.gz ADGNXOAMWLDNJG-RKDXNWHRSA-N -2 3 294.315 0.539 20 50 CCGDHL Cc1cccnc1C(=O)[N-]NC(=O)CCCN(C)C(=O)[O-] ZINC000833909757 605926109 /nfs/dbraw/zinc/92/61/09/605926109.db2.gz DFHINIYGPUMAFR-UHFFFAOYSA-N -2 3 294.311 0.541 20 50 CCGDHL O=C([O-])c1ccc(C(=O)[N-]NC(=O)C2CCCC2)nc1 ZINC001595220783 949240796 /nfs/dbraw/zinc/24/07/96/949240796.db2.gz DWIFZKXDNJZNLO-UHFFFAOYSA-N -2 3 277.280 0.731 20 50 CCGDHL CN(CC(=O)[O-])C(=O)/C(C#N)=C/c1ccc([O-])cc1 ZINC001593718687 954235977 /nfs/dbraw/zinc/23/59/77/954235977.db2.gz SNQDHTMXNKROQC-UXBLZVDNSA-N -2 3 260.249 0.842 20 50 CCGDHL Cc1cccc(C(=O)[N-]NC(=O)[C@H](C(=O)[O-])C(C)(C)C)n1 ZINC001594387957 958691621 /nfs/dbraw/zinc/69/16/21/958691621.db2.gz OBBQKSPWOVBXDX-SNVBAGLBSA-N -2 3 293.323 0.898 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)c2ccc(C(=O)[O-])nc2)n1 ZINC001594150983 958794868 /nfs/dbraw/zinc/79/48/68/958794868.db2.gz SWGRSWOIPALRET-UHFFFAOYSA-N -2 3 289.251 0.335 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)C(C)(C)CNC(=O)[O-])n1 ZINC000829651403 603628082 /nfs/dbraw/zinc/62/80/82/603628082.db2.gz ZDFJUZBLVUAABH-UHFFFAOYSA-N -2 3 283.288 0.222 20 50 CCGDHL Cc1n[nH]cc1C(=O)[N-]NC(=O)CC1(NC(=O)[O-])CCC1 ZINC000830679931 604158676 /nfs/dbraw/zinc/15/86/76/604158676.db2.gz YGFZVOOSVSKSPE-UHFFFAOYSA-N -2 3 295.299 0.060 20 50 CCGDHL O=C([O-])NCCNC(=O)NN=Cc1cc(F)ccc1[O-] ZINC000834242869 606053802 /nfs/dbraw/zinc/05/38/02/606053802.db2.gz BEUCTWSVCSOHCW-UHFFFAOYSA-N -2 3 284.247 0.432 20 50 CCGDHL O=C(NN=c1ncc(Cl)c[n-]1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001574578755 962091278 /nfs/dbraw/zinc/09/12/78/962091278.db2.gz NVFBOCFEGWUBPG-IAQIWYKVSA-N -2 3 285.691 0.619 20 50 CCGDHL O=C([O-])[C@@H](C(=O)N[N-]C(=O)c1ccccc1F)C1CC1 ZINC001605814623 972536403 /nfs/dbraw/zinc/53/64/03/972536403.db2.gz KYGOUVDGTQUFFN-SNVBAGLBSA-N -2 3 280.255 0.698 20 50 CCGDHL CC(C)C(=O)[N-][N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000916104109 982671869 /nfs/dbraw/zinc/67/18/69/982671869.db2.gz NAFNLGRRATYUJU-UHFFFAOYSA-N -3 3 286.309 0.350 20 50 CCGDHL COc1cc(C(=O)[O-])ccc1NNC(=O)c1cn[n-]n1 ZINC001599377109 998505438 /nfs/dbraw/zinc/50/54/38/998505438.db2.gz KJWGWBJVAOGWMN-UHFFFAOYSA-N -2 3 277.240 0.268 20 50 CCGDHL Cn1cc(C(=O)[N-]N=c2[nH]cccc2C(=O)[O-])c(Cl)n1 ZINC001605481341 973600235 /nfs/dbraw/zinc/60/02/35/973600235.db2.gz SPUZDCLPQJIQMR-UHFFFAOYSA-N -2 3 295.686 0.924 20 50 CCGDHL CC(C)(NC(=O)[O-])C(=O)N[N-]C(=O)c1ccccc1F ZINC000736336177 978320063 /nfs/dbraw/zinc/32/00/63/978320063.db2.gz DJXHFIRVXGOUDY-UHFFFAOYSA-N -2 3 283.259 0.633 20 50 CCGDHL O=C([N-]NC(=O)C1CCC1)c1sccc1-c1nn[n-]n1 ZINC000738130825 945213943 /nfs/dbraw/zinc/21/39/43/945213943.db2.gz XDYPOFAJSXCAAE-UHFFFAOYSA-N -2 3 292.324 0.489 20 50 CCGDHL CC(C)CC(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000735755815 944696267 /nfs/dbraw/zinc/69/62/67/944696267.db2.gz HQXUYEPLQJYROO-UHFFFAOYSA-N -2 3 289.299 0.069 20 50 CCGDHL Cc1n[nH]cc1C(=O)[N-]NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000738827692 955251567 /nfs/dbraw/zinc/25/15/67/955251567.db2.gz NPKPIYUAIUZZTJ-UHFFFAOYSA-N -2 3 288.263 0.491 20 50 CCGDHL CN(CCCC(=O)N[N-]C(=O)c1ccccc1F)C(=O)[O-] ZINC000737427773 978408772 /nfs/dbraw/zinc/40/87/72/978408772.db2.gz YKBYBOXVFNYCJT-UHFFFAOYSA-N -2 3 297.286 0.977 20 50 CCGDHL CC[C@H](C(=O)[O-])C(=O)N[N-]C(=O)c1cccc(C)n1 ZINC001594756092 981671498 /nfs/dbraw/zinc/67/14/98/981671498.db2.gz XBOPXGYFSZLSTH-QMMMGPOBSA-N -2 3 265.269 0.262 20 50 CCGDHL CC(=NNC(=O)NCC(=O)[O-])c1ccc([O-])cc1F ZINC000833384130 605589142 /nfs/dbraw/zinc/58/91/42/605589142.db2.gz CTELFNZVRPTTNM-UHFFFAOYSA-N -2 3 269.232 0.639 20 50 CCGDHL Cc1cccnc1C(=O)[N-]NC(=O)[C@@H]1CCCN1C(=O)[O-] ZINC000833910963 605926509 /nfs/dbraw/zinc/92/65/09/605926509.db2.gz QNMAXNOYNKQQIN-VIFPVBQESA-N -2 3 292.295 0.293 20 50 CCGDHL Cc1cccnc1C(=O)[N-]NC(=O)[C@@H](NC(=O)[O-])C(C)C ZINC000833911494 605927086 /nfs/dbraw/zinc/92/70/86/605927086.db2.gz WDIKBYDIBCJODB-VIFPVBQESA-N -2 3 294.311 0.443 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)C1(C(=O)[O-])CC=CC1 ZINC001594159827 958873290 /nfs/dbraw/zinc/87/32/90/958873290.db2.gz YKHCSLRCOIZDGP-UHFFFAOYSA-N -2 3 278.268 0.349 20 50 CCGDHL Cn1cc(C(=O)[N-]NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cn1 ZINC000833041439 600958920 /nfs/dbraw/zinc/95/89/20/600958920.db2.gz LIXWRFYHFIJQSK-RKDXNWHRSA-N -2 3 294.311 0.072 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)c2ccnc(C(=O)[O-])c2)n1 ZINC000832637540 601243723 /nfs/dbraw/zinc/24/37/23/601243723.db2.gz UDDSFCAVDZDBCY-UHFFFAOYSA-N -2 3 289.251 0.335 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)[C@]2(C)CCN(C(=O)[O-])C2)n1 ZINC000829648747 603876054 /nfs/dbraw/zinc/87/60/54/603876054.db2.gz ANVXYSMPIHOKSZ-GFCCVEGCSA-N -2 3 295.299 0.318 20 50 CCGDHL CC(C)(C(=O)[O-])C(=O)NN=c1ncc(Cl)c[n-]1 ZINC001588618607 959532686 /nfs/dbraw/zinc/53/26/86/959532686.db2.gz YYLYEYCQLNVKGC-UHFFFAOYSA-N -2 3 258.665 0.684 20 50 CCGDHL CC[C@H](CNC(=O)N[N-]C(=O)c1ccccc1F)C(=O)[O-] ZINC001589539213 955188533 /nfs/dbraw/zinc/18/85/33/955188533.db2.gz SATVYLSRHSTCPS-MRVPVSSYSA-N -2 3 297.286 0.881 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)CCCC(=O)[O-] ZINC001604912116 972462290 /nfs/dbraw/zinc/46/22/90/972462290.db2.gz PWZFAZKVAUSDHI-UHFFFAOYSA-N -2 3 254.246 0.183 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)[C@H](NC(=O)[O-])C(C)C)n1 ZINC000738143155 978485867 /nfs/dbraw/zinc/48/58/67/978485867.db2.gz LCHXLZVUFQMDIB-MRVPVSSYSA-N -2 3 283.288 0.221 20 50 CCGDHL O=C([O-])[C@H]1C[C@H]1C(=O)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000739453067 978636632 /nfs/dbraw/zinc/63/66/32/978636632.db2.gz BRWHACNGMYDHML-ZJUUUORDSA-N -2 3 299.286 0.717 20 50 CCGDHL CC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000775248957 978747369 /nfs/dbraw/zinc/74/73/69/978747369.db2.gz AURBFUUVEUUCFS-UHFFFAOYSA-N -3 3 292.700 0.368 20 50 CCGDHL CC(C)NC(=O)N[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820138620 945361335 /nfs/dbraw/zinc/36/13/35/945361335.db2.gz ZMZVSGAZXSSCSJ-UHFFFAOYSA-N -2 3 295.328 0.281 20 50 CCGDHL CCC(CC)(C(=O)[O-])C(=O)N[N-]C(=O)c1c[nH]nc1C ZINC001589476114 954960575 /nfs/dbraw/zinc/96/05/75/954960575.db2.gz YEILLCOLLOWKGR-UHFFFAOYSA-N -2 3 282.300 0.370 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)[C@@H](C(=O)[O-])C1CC1 ZINC001604912464 972464039 /nfs/dbraw/zinc/46/40/39/972464039.db2.gz UQTCQNPTNWIQDR-ZETCQYMHSA-N -2 3 266.257 0.039 20 50 CCGDHL Cn1cc(Cl)c(C(=O)[N-]N=c2[nH]cccc2C(=O)[O-])n1 ZINC001605497175 973665788 /nfs/dbraw/zinc/66/57/88/973665788.db2.gz YCSAVFYQBKTUQR-UHFFFAOYSA-N -2 3 295.686 0.924 20 50 CCGDHL O=C([O-])c1ccc(C(=O)N[N-]C(=O)c2cn[nH]c2)cc1 ZINC001606478514 973955488 /nfs/dbraw/zinc/95/54/88/973955488.db2.gz DTSMCAUYKLZQKK-UHFFFAOYSA-N -2 3 274.236 0.183 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)[C@H](CC(C)C)NC(=O)[O-])n1 ZINC000829650183 605626071 /nfs/dbraw/zinc/62/60/71/605626071.db2.gz PFYJBBZCJVHHEZ-QMMMGPOBSA-N -2 3 297.315 0.611 20 50 CCGDHL Cc1cccnc1C(=O)[N-]NC(=O)CC(C)(C)NC(=O)[O-] ZINC000833911198 605927217 /nfs/dbraw/zinc/92/72/17/605927217.db2.gz UXVYSVZEMYFNOG-UHFFFAOYSA-N -2 3 294.311 0.587 20 50 CCGDHL CC(C)(C)C(=O)N[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819898914 945309873 /nfs/dbraw/zinc/30/98/73/945309873.db2.gz KRKWRXZUIQRQPY-UHFFFAOYSA-N -2 3 294.340 0.735 20 50 CCGDHL Cc1cccc(C(=O)[N-]NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC001594388534 958696452 /nfs/dbraw/zinc/69/64/52/958696452.db2.gz YMSGITKPYSYOHB-ZJUUUORDSA-N -2 3 291.307 0.652 20 50 CCGDHL O=C([O-])c1ccc(C(=O)NN=c2cccn[n-]2)s1 ZINC000740109948 978669945 /nfs/dbraw/zinc/66/99/45/978669945.db2.gz PILGKTZQYACFCE-UHFFFAOYSA-N -2 3 264.266 0.993 20 50 CCGDHL C[C@H](NC(=O)/C(C#N)=C\c1ccc([O-])cc1)C(=O)[O-] ZINC001599891805 984703103 /nfs/dbraw/zinc/70/31/03/984703103.db2.gz WZAGCNOGURSHNW-KZSPTFSBSA-N -2 3 260.249 0.888 20 50 CCGDHL CC(=O)[N-][N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001589150640 985473076 /nfs/dbraw/zinc/47/30/76/985473076.db2.gz YXTCECRAWNZLOG-UHFFFAOYSA-N -3 3 272.282 0.023 20 50 CCGDHL CC(C)(CC(=O)[O-])CC(=O)N[N-]C(=O)c1cn[nH]c1 ZINC001590635540 990324191 /nfs/dbraw/zinc/32/41/91/990324191.db2.gz VWBIRZCBMPDGHD-UHFFFAOYSA-N -2 3 268.273 0.062 20 50 CCGDHL Cc1n[nH]cc1C(=O)[N-]NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000832991166 600941011 /nfs/dbraw/zinc/94/10/11/600941011.db2.gz RGGPSWYOQJLIKK-DTWKUNHWSA-N -2 3 294.311 0.370 20 50 CCGDHL Cc1cccnc1C(=O)[N-]NC(=O)CCCCNC(=O)[O-] ZINC000833909525 605907281 /nfs/dbraw/zinc/90/72/81/605907281.db2.gz CRLIQLDOTKKAHF-UHFFFAOYSA-N -2 3 294.311 0.589 20 50 CCGDHL O=C([N-]NC(=O)NC1CC1)c1cc(-c2nn[n-]n2)cs1 ZINC000823277535 606556505 /nfs/dbraw/zinc/55/65/05/606556505.db2.gz PBCINVKXKOAMLO-UHFFFAOYSA-N -2 3 293.312 0.035 20 50 CCGDHL N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC000822796082 946180370 /nfs/dbraw/zinc/18/03/70/946180370.db2.gz LYMXJAYIQMBTGE-BAQGIRSFSA-N -2 3 259.200 0.997 20 50 CCGDHL CCC(CC)(CNC(=O)N[N-]C(=O)c1cn[nH]c1)C(=O)[O-] ZINC001589497587 955020327 /nfs/dbraw/zinc/02/03/27/955020327.db2.gz OZOPTHGLPFOXER-UHFFFAOYSA-N -2 3 297.315 0.245 20 50 CCGDHL O=C([O-])c1ccc[nH]c1=NNC(=O)c1cccc2n[n-]nc21 ZINC001574820141 957905242 /nfs/dbraw/zinc/90/52/42/957905242.db2.gz JDGCZUWIBPLLFC-UHFFFAOYSA-N -2 3 298.262 0.808 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)C2(C(=O)[O-])CC=CC2)n1 ZINC001594150851 958795495 /nfs/dbraw/zinc/79/54/95/958795495.db2.gz PFILBDMPDJLXJZ-UHFFFAOYSA-N -2 3 278.268 0.349 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)[C@]1(C(=O)[O-])C[C@H]1C ZINC001594159600 958871893 /nfs/dbraw/zinc/87/18/93/958871893.db2.gz TWJDLOKRSFJUGA-KBUNVGBDSA-N -2 3 266.257 0.039 20 50 CCGDHL C[C@@H](NC(=O)/C(C#N)=C\c1ccc([O-])cc1)C(=O)[O-] ZINC001594199914 959240458 /nfs/dbraw/zinc/24/04/58/959240458.db2.gz WZAGCNOGURSHNW-NDVARNPJSA-N -2 3 260.249 0.888 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)[C@@H](NC(=O)[O-])C(C)C)n1 ZINC000738143158 978485754 /nfs/dbraw/zinc/48/57/54/978485754.db2.gz LCHXLZVUFQMDIB-QMMMGPOBSA-N -2 3 283.288 0.221 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)c2cncc(C(=O)[O-])c2)n1 ZINC001599722887 991570193 /nfs/dbraw/zinc/57/01/93/991570193.db2.gz XMTXLZRVTPWFCI-UHFFFAOYSA-N -2 3 289.251 0.335 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001599738864 991817617 /nfs/dbraw/zinc/81/76/17/991817617.db2.gz MDWMXJRGNCIXJS-UHFFFAOYSA-N -2 3 277.240 0.268 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)C12CC(C(=O)[O-])(C1)C2 ZINC001599739455 991825756 /nfs/dbraw/zinc/82/57/56/991825756.db2.gz YJPUCRBOCRLQSR-UHFFFAOYSA-N -2 3 278.268 0.183 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)[C@@]2(F)CCN(C(=O)[O-])C2)n1 ZINC000829650235 603838397 /nfs/dbraw/zinc/83/83/97/603838397.db2.gz QENXFOYSMYSSDJ-LLVKDONJSA-N -2 3 299.262 0.020 20 50 CCGDHL O=C([O-])CCCNC(=O)NN=c1ncc(Cl)c[n-]1 ZINC001595050194 951465640 /nfs/dbraw/zinc/46/56/40/951465640.db2.gz DKEQWBQZIJGJQH-UHFFFAOYSA-N -2 3 273.680 0.621 20 50 CCGDHL C[C@H](CNC(=O)NN=c1[n-]cncc1Cl)C(=O)[O-] ZINC001589056295 955696388 /nfs/dbraw/zinc/69/63/88/955696388.db2.gz MZLDEVWNUPWOCX-RXMQYKEDSA-N -2 3 273.680 0.477 20 50 CCGDHL CC(C)(C)[C@@H](C(=O)[O-])C(=O)NNC(=O)c1ccccc1[O-] ZINC001588633419 959630910 /nfs/dbraw/zinc/63/09/10/959630910.db2.gz IAOFKNFKMFZTMF-SNVBAGLBSA-N -2 3 294.307 0.900 20 50 CCGDHL CN(C)C(=O)N[N-]C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001598140145 990601141 /nfs/dbraw/zinc/60/11/41/990601141.db2.gz NMTMRFPHVUWNON-UHFFFAOYSA-N -2 3 296.239 0.209 20 50 CCGDHL CN([N-]S(=O)(=O)CCCC(=O)[O-])C(=O)OC(C)(C)C ZINC001598542115 992913702 /nfs/dbraw/zinc/91/37/02/992913702.db2.gz WFXLKCKJZPXFBI-UHFFFAOYSA-N -2 3 296.345 0.553 20 50 CCGDHL CN(CCCC(=O)[O-])CC(=O)N[N-]C(=O)c1cccs1 ZINC000042717708 948883040 /nfs/dbraw/zinc/88/30/40/948883040.db2.gz WGALFHSEOQFUGL-UHFFFAOYSA-N -2 3 299.352 0.306 20 50 CCGDHL Cc1cccnc1C(=O)[N-]NC(=O)[C@H](C(=O)[O-])C(C)C ZINC001594420999 959068892 /nfs/dbraw/zinc/06/88/92/959068892.db2.gz WKGQGYKWJIDSKO-SECBINFHSA-N -2 3 279.296 0.508 20 50 CCGDHL CC(C)NC(=S)N[N-]C(=O)c1cccc(C(=O)[O-])n1 ZINC001591660588 975394161 /nfs/dbraw/zinc/39/41/61/975394161.db2.gz DHVHHLDJNQXXLL-UHFFFAOYSA-N -2 3 282.325 0.297 20 50 CCGDHL Cc1ccc(C(=O)[N-]NC(=O)NCCNC(=O)[O-])c(F)c1 ZINC000830225396 603449069 /nfs/dbraw/zinc/44/90/69/603449069.db2.gz LZMBRQGBFLYTJF-UHFFFAOYSA-N -2 3 298.274 0.346 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)CC2(NC(=O)[O-])CCC2)n1 ZINC000829651110 604089145 /nfs/dbraw/zinc/08/91/45/604089145.db2.gz XHEQRKMXBJECAK-UHFFFAOYSA-N -2 3 295.299 0.509 20 50 CCGDHL Cc1cccnc1C(=O)[N-]NC(=O)[C@H]1CCCN1C(=O)[O-] ZINC000833910962 605926424 /nfs/dbraw/zinc/92/64/24/605926424.db2.gz QNMAXNOYNKQQIN-SECBINFHSA-N -2 3 292.295 0.293 20 50 CCGDHL CC(C)C(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820012101 945328666 /nfs/dbraw/zinc/32/86/66/945328666.db2.gz UTHHEBGIMFIOQF-UHFFFAOYSA-N -2 3 280.313 0.345 20 50 CCGDHL O=C([O-])c1ccc(C(=O)NN=c2ncc(Cl)c[n-]2)nc1 ZINC001602324725 971181983 /nfs/dbraw/zinc/18/19/83/971181983.db2.gz ZOYSXNPECKNBGT-UHFFFAOYSA-N -2 3 293.670 0.980 20 50 CCGDHL N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC000822796088 946179647 /nfs/dbraw/zinc/17/96/47/946179647.db2.gz LYMXJAYIQMBTGE-FPYGCLRLSA-N -2 3 259.200 0.997 20 50 CCGDHL Cc1cccc(C(=O)[N-]NC(=O)C2(C(=O)[O-])CCC2)n1 ZINC001594387647 958690583 /nfs/dbraw/zinc/69/05/83/958690583.db2.gz IYMCYIKBPMWRJR-UHFFFAOYSA-N -2 3 277.280 0.406 20 50 CCGDHL O=C([O-])NCCCC(=O)N[N-]C(=O)c1ccccc1F ZINC000739956631 978660269 /nfs/dbraw/zinc/66/02/69/978660269.db2.gz IRXLLTBIYNFOLL-UHFFFAOYSA-N -2 3 283.259 0.635 20 50 CCGDHL CC(C)C(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000747847454 978687140 /nfs/dbraw/zinc/68/71/40/978687140.db2.gz GIKFMMPPHWIWIR-UHFFFAOYSA-N -3 3 292.338 0.412 20 50 CCGDHL Cc1cccnc1C(=O)[N-]NC(=O)C[C@@H](C)NC(=O)[O-] ZINC000833909862 605926344 /nfs/dbraw/zinc/92/63/44/605926344.db2.gz FGWZZBLRHVDQRJ-MRVPVSSYSA-N -2 3 280.284 0.197 20 50 CCGDHL CCNC(=O)N(C)[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000825470653 609165847 /nfs/dbraw/zinc/16/58/47/609165847.db2.gz GNGKNRFMXNNOAW-UHFFFAOYSA-N -2 3 295.328 0.234 20 50 CCGDHL CC[C@@H](CNC(=O)N[N-]C(=O)c1ccccc1F)C(=O)[O-] ZINC001589539214 955188468 /nfs/dbraw/zinc/18/84/68/955188468.db2.gz SATVYLSRHSTCPS-QMMMGPOBSA-N -2 3 297.286 0.881 20 50 CCGDHL O=C([O-])c1ccccc1CC(=O)N[N-]C(=O)c1cn[nH]c1 ZINC001574538861 961936184 /nfs/dbraw/zinc/93/61/84/961936184.db2.gz UDNDLPJZHJMEBY-UHFFFAOYSA-N -2 3 288.263 0.112 20 50 CCGDHL O=C([O-])[C@@H]1C[C@@H]1C(=O)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000739453066 978636728 /nfs/dbraw/zinc/63/67/28/978636728.db2.gz BRWHACNGMYDHML-VHSXEESVSA-N -2 3 299.286 0.717 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001599738891 991817216 /nfs/dbraw/zinc/81/72/16/991817216.db2.gz NJEYOTHKWLENHL-IUCAKERBSA-N -2 3 294.311 0.819 20 50 CCGDHL Cc1n[nH]cc1C(=O)[N-]NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000832991169 600940875 /nfs/dbraw/zinc/94/08/75/600940875.db2.gz RGGPSWYOQJLIKK-IUCAKERBSA-N -2 3 294.311 0.370 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)n1 ZINC000829651149 603465834 /nfs/dbraw/zinc/46/58/34/603465834.db2.gz XNHOOONIMXINAO-SFYZADRCSA-N -2 3 295.299 0.365 20 50 CCGDHL O=C([O-])N1CCC[C@@H]1C(=O)NNC(=O)c1ccccc1[O-] ZINC000831736171 604001661 /nfs/dbraw/zinc/00/16/61/604001661.db2.gz HYNBSBGXMWDBGX-SECBINFHSA-N -2 3 293.279 0.296 20 50 CCGDHL O=C([O-])NCC(=O)NN=Cc1cc(F)ccc1[O-] ZINC000834202537 605385354 /nfs/dbraw/zinc/38/53/54/605385354.db2.gz XIDOLPYFAYYNDK-UHFFFAOYSA-N -2 3 255.205 0.249 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)[C@@H](NC(=O)[O-])C(C)(C)C)n1 ZINC000829648732 605625898 /nfs/dbraw/zinc/62/58/98/605625898.db2.gz AHKXOORXRHXDLG-MRVPVSSYSA-N -2 3 297.315 0.611 20 50 CCGDHL O=C([O-])NCCCC(=O)NN=Cc1ccc([O-])cn1 ZINC000834228920 605798091 /nfs/dbraw/zinc/79/80/91/605798091.db2.gz SZULFIICBOOKOX-UHFFFAOYSA-N -2 3 266.257 0.285 20 50 CCGDHL CC(C)(C)C(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000819898929 945310490 /nfs/dbraw/zinc/31/04/90/945310490.db2.gz KYUAHXVGEFTGBG-UHFFFAOYSA-N -2 3 294.340 0.735 20 50 CCGDHL O=C([O-])CCCCNC(=O)NN=c1cccn[n-]1 ZINC000739671126 955255117 /nfs/dbraw/zinc/25/51/17/955255117.db2.gz RVSGUIYSMPVGEM-UHFFFAOYSA-N -2 3 253.262 0.358 20 50 CCGDHL O=C([O-])c1ccc(C(=O)NN=c2cccn[n-]2)cc1 ZINC000740109507 955256876 /nfs/dbraw/zinc/25/68/76/955256876.db2.gz AEWFSQNQCZVPCX-UHFFFAOYSA-N -2 3 258.237 0.932 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)[C@@H](C(=O)[O-])C(C)(C)C)n1 ZINC001594151261 958800321 /nfs/dbraw/zinc/80/03/21/958800321.db2.gz ZVNBIIQUTWVNTJ-QMMMGPOBSA-N -2 3 282.300 0.675 20 50 CCGDHL Cc1cccc(C(=O)[N-]NC(=O)C2(C(=O)[O-])CC=CC2)n1 ZINC001605320223 973154088 /nfs/dbraw/zinc/15/40/88/973154088.db2.gz GLZHDAUKUWHGKY-UHFFFAOYSA-N -2 3 289.291 0.572 20 50 CCGDHL Cc1ccc(C(=O)NNC(=O)[C@H](C)CC(=O)[O-])c([O-])c1 ZINC000832912070 602266480 /nfs/dbraw/zinc/26/64/80/602266480.db2.gz SXZULALXSNAHFI-MRVPVSSYSA-N -2 3 280.280 0.572 20 50 CCGDHL O=C([O-])[C@@]1(C(=O)NN=c2ncc(Cl)c[n-]2)CCCO1 ZINC001594867356 954320311 /nfs/dbraw/zinc/32/03/11/954320311.db2.gz LZVWEHXFDTTZJD-JTQLQIEISA-N -2 3 286.675 0.207 20 50 CCGDHL Cc1ccc(C(=O)NNC(=O)CSCC(=O)[O-])c([O-])c1 ZINC000740106228 955256522 /nfs/dbraw/zinc/25/65/22/955256522.db2.gz ACEVAZFTHISJAA-UHFFFAOYSA-N -2 3 298.320 0.279 20 50 CCGDHL C[C@@H](CC(=O)[O-])NC(=O)NN=c1[n-]cncc1Cl ZINC001589000748 955321281 /nfs/dbraw/zinc/32/12/81/955321281.db2.gz DPSRBFYPZBHMIQ-YFKPBYRVSA-N -2 3 273.680 0.619 20 50 CCGDHL C[C@H](CC(=O)[O-])NC(=O)NN=c1[n-]cncc1Cl ZINC001589000745 955321457 /nfs/dbraw/zinc/32/14/57/955321457.db2.gz DPSRBFYPZBHMIQ-RXMQYKEDSA-N -2 3 273.680 0.619 20 50 CCGDHL C[C@@H](CNC(=O)NN=c1[n-]cncc1Cl)C(=O)[O-] ZINC001589056297 955696436 /nfs/dbraw/zinc/69/64/36/955696436.db2.gz MZLDEVWNUPWOCX-YFKPBYRVSA-N -2 3 273.680 0.477 20 50 CCGDHL CC(C)NC(=S)N[N-]C(=O)c1ccc(C(=O)[O-])cn1 ZINC001588927630 962433015 /nfs/dbraw/zinc/43/30/15/962433015.db2.gz BMYZWZKSDFLQRQ-UHFFFAOYSA-N -2 3 282.325 0.297 20 50 CCGDHL O=C([O-])c1cccc(S(=O)(=O)[N-][N-]C(=O)C2CCC2)c1 ZINC000264729229 962753956 /nfs/dbraw/zinc/75/39/56/962753956.db2.gz ISRFRTZEZVEXBA-UHFFFAOYSA-N -3 3 298.320 0.494 20 50 CCGDHL Cc1cccnc1C(=O)[N-]NC(=O)C1(C(=O)[O-])CC=CC1 ZINC001605359896 973285709 /nfs/dbraw/zinc/28/57/09/973285709.db2.gz CRXHHGDXBKHNPU-UHFFFAOYSA-N -2 3 289.291 0.572 20 50 CCGDHL O=C([O-])c1ccc(C(=O)[N-]NC(=O)C2CCC2)nc1 ZINC000740110000 978669985 /nfs/dbraw/zinc/66/99/85/978669985.db2.gz QUBACUYWHJKBAC-UHFFFAOYSA-N -2 3 263.253 0.341 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)C[C@@H](C)CC(=O)[O-])n1 ZINC001599722754 991568065 /nfs/dbraw/zinc/56/80/65/991568065.db2.gz QPWJRYPRXAHOTQ-SSDOTTSWSA-N -2 3 268.273 0.429 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)c2cc(C(=O)[O-])co2)n1 ZINC001599722878 991570041 /nfs/dbraw/zinc/57/00/41/991570041.db2.gz XEBJIMZHFHOPJJ-UHFFFAOYSA-N -2 3 278.224 0.533 20 50 CCGDHL O=C([O-])NCCC=NNC(=O)c1ccc([O-])cc1 ZINC000832605190 605459513 /nfs/dbraw/zinc/45/95/13/605459513.db2.gz LGAKWBZSTSAYFS-UHFFFAOYSA-N -2 3 251.242 0.766 20 50 CCGDHL CC(C)CC(=O)N[N-]C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820050843 945336137 /nfs/dbraw/zinc/33/61/37/945336137.db2.gz HDGJEJHZOVTWSH-UHFFFAOYSA-N -2 3 294.340 0.735 20 50 CCGDHL C[C@](O)(CNC(=O)/C(C#N)=C/c1ccc([O-])cc1)C(=O)[O-] ZINC001589138469 956248612 /nfs/dbraw/zinc/24/86/12/956248612.db2.gz OYZVWSMXIOFYNW-XYYIANASSA-N -2 3 290.275 0.251 20 50 CCGDHL Cc1ccc(C(=O)NNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])c([O-])c1 ZINC001594346897 958324486 /nfs/dbraw/zinc/32/44/86/958324486.db2.gz LLBHDECXNDBMQS-RKDXNWHRSA-N -2 3 292.291 0.572 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)[C@]2(C(=O)[O-])CC=CCC2)n1 ZINC001594150315 958788303 /nfs/dbraw/zinc/78/83/03/958788303.db2.gz HGAGAWHDLYFDGW-ZDUSSCGKSA-N -2 3 292.295 0.739 20 50 CCGDHL CC(C)NC(=O)N[N-]C(=O)c1ccc(C(=O)[O-])cn1 ZINC001588925341 962422533 /nfs/dbraw/zinc/42/25/33/962422533.db2.gz JYPOAZSCTVJWCU-UHFFFAOYSA-N -2 3 266.257 0.132 20 50 CCGDHL CCC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000768497935 978738360 /nfs/dbraw/zinc/73/83/60/978738360.db2.gz UNELNKNJJKWHHE-UHFFFAOYSA-N -3 3 290.272 0.243 20 50 CCGDHL CC(C)CC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833474096 605182905 /nfs/dbraw/zinc/18/29/05/605182905.db2.gz VNZMLGDVZGOSLL-UHFFFAOYSA-N -3 3 290.297 0.333 20 50 CCGDHL O=C([O-])c1ccc(C(=O)N[N-]C(=O)CC(F)(F)F)cn1 ZINC001601244333 970965986 /nfs/dbraw/zinc/96/59/86/970965986.db2.gz ZAICODNVWDLNNM-UHFFFAOYSA-N -2 3 291.185 0.493 20 50 CCGDHL CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)N[N-]C(=O)c1cn[nH]c1 ZINC001589204954 956658302 /nfs/dbraw/zinc/65/83/02/956658302.db2.gz BTXSPUIWWIQWIN-UHFFFAOYSA-N -2 3 294.311 0.308 20 50 CCGDHL O=C([O-])c1ccc(S(=O)(=O)[N-][N-]C(=O)C2CCC2)cc1 ZINC000264766634 962753915 /nfs/dbraw/zinc/75/39/15/962753915.db2.gz OMDDJEXXKRRRQY-UHFFFAOYSA-N -3 3 298.320 0.494 20 50 CCGDHL Cc1cc(C)[n-]c(=NNC(=O)NC[C@H](C)C(=O)[O-])n1 ZINC000848588443 969266388 /nfs/dbraw/zinc/26/63/88/969266388.db2.gz SMTNCSJFLJCZNK-LURJTMIESA-N -2 3 267.289 0.440 20 50 CCGDHL C[C@@H](CN(C)C(=O)[O-])C(=O)N[N-]C(=O)c1ccccc1F ZINC000824868975 604060139 /nfs/dbraw/zinc/06/01/39/604060139.db2.gz RQEPNVYLPFXQEK-QMMMGPOBSA-N -2 3 297.286 0.833 20 50 CCGDHL O=C([O-])C1(C(=O)N[N-]C(=O)c2ccccc2F)CCC1 ZINC001594779317 953615182 /nfs/dbraw/zinc/61/51/82/953615182.db2.gz PXZQPISNGOQZTD-UHFFFAOYSA-N -2 3 280.255 0.842 20 50 CCGDHL O=C(NN=c1ncc(Cl)c[n-]1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594782014 953641723 /nfs/dbraw/zinc/64/17/23/953641723.db2.gz NVFBOCFEGWUBPG-KBTIHESUSA-N -2 3 285.691 0.619 20 50 CCGDHL CN(CC(=O)[O-])C(=O)/C(C#N)=C\c1ccc([O-])cc1 ZINC001593718686 954236094 /nfs/dbraw/zinc/23/60/94/954236094.db2.gz SNQDHTMXNKROQC-POHAHGRESA-N -2 3 260.249 0.842 20 50 CCGDHL O=C([O-])CCNC(=O)N[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000819492574 955449266 /nfs/dbraw/zinc/44/92/66/955449266.db2.gz NEVGWQKOKOXKEX-UHFFFAOYSA-N -2 3 296.239 0.014 20 50 CCGDHL CC(C)C[C@H](CNC(=O)N[N-]C(=O)c1cn[nH]c1)C(=O)[O-] ZINC001588852926 961951971 /nfs/dbraw/zinc/95/19/71/961951971.db2.gz LFYRXEKETUJKMD-MRVPVSSYSA-N -2 3 297.315 0.101 20 50 CCGDHL O=C([O-])c1ccc(C(=O)[N-]NC(=O)c2cccnc2)nc1 ZINC001606478941 973959888 /nfs/dbraw/zinc/95/98/88/973959888.db2.gz VVKLFBHRQWGLFQ-UHFFFAOYSA-N -2 3 286.247 0.250 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)CCSCC(=O)[O-])n1 ZINC000738142698 978485820 /nfs/dbraw/zinc/48/58/20/978485820.db2.gz FGLZTZXMUUIKIN-UHFFFAOYSA-N -2 3 286.313 0.136 20 50 CCGDHL CCCCNC(=O)N[N-]C(=O)c1ccc(C(=O)[O-])cn1 ZINC001595759231 982464721 /nfs/dbraw/zinc/46/47/21/982464721.db2.gz LTNPRTMRTSXYBK-UHFFFAOYSA-N -2 3 280.284 0.524 20 50 CCGDHL CCC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000918062169 982686277 /nfs/dbraw/zinc/68/62/77/982686277.db2.gz LZPBNPNMBSCXEM-UHFFFAOYSA-N -3 3 290.272 0.243 20 50 CCGDHL CC(C)(C)NC(=S)N[N-]C(=O)c1cccc(C(=O)[O-])n1 ZINC001589831533 988301705 /nfs/dbraw/zinc/30/17/05/988301705.db2.gz ATJGYGJLHNMJBC-UHFFFAOYSA-N -2 3 296.352 0.687 20 50 CCGDHL C[C@@H](CC(=O)[O-])C(=O)NNC(=O)c1ccccc1[O-] ZINC000827303085 602266098 /nfs/dbraw/zinc/26/60/98/602266098.db2.gz AXEQQEWIXQWNSA-ZETCQYMHSA-N -2 3 266.253 0.264 20 50 CCGDHL C[C@@H](CC(=O)N[N-]C(=O)c1ccccc1F)NC(=O)[O-] ZINC000824672525 603221303 /nfs/dbraw/zinc/22/13/03/603221303.db2.gz YIEFDASTSKDAMT-ZETCQYMHSA-N -2 3 283.259 0.633 20 50 CCGDHL C[C@H](CC(=O)NNC(=O)c1ccccc1[O-])NC(=O)[O-] ZINC000824671808 603435539 /nfs/dbraw/zinc/43/55/39/603435539.db2.gz MGMPBCHQWWPIGL-SSDOTTSWSA-N -2 3 281.268 0.199 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)[C@@]2(C)CCN(C(=O)[O-])C2)n1 ZINC000829648749 603877950 /nfs/dbraw/zinc/87/79/50/603877950.db2.gz ANVXYSMPIHOKSZ-LBPRGKRZSA-N -2 3 295.299 0.318 20 50 CCGDHL CC(C)CC(=O)N[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820051632 945340135 /nfs/dbraw/zinc/34/01/35/945340135.db2.gz RSQXAFZFMJAWIX-UHFFFAOYSA-N -2 3 294.340 0.735 20 50 CCGDHL O=C([O-])c1ccc(C(=O)[N-]NC(=O)[C@@H]2CCCS2)nc1 ZINC001595220863 949242421 /nfs/dbraw/zinc/24/24/21/949242421.db2.gz LOQKBLJUBPWRGD-VIFPVBQESA-N -2 3 295.320 0.436 20 50 CCGDHL O=C([O-])c1ccc(C(=O)[N-]NC(=O)NC2CCCC2)nc1 ZINC001594782631 953646158 /nfs/dbraw/zinc/64/61/58/953646158.db2.gz CPHJMRBDQKYULY-UHFFFAOYSA-N -2 3 292.295 0.666 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)C(C)(C)C(=O)[O-] ZINC001594159043 958864515 /nfs/dbraw/zinc/86/45/15/958864515.db2.gz AXEOFMBZPKVECO-UHFFFAOYSA-N -2 3 254.246 0.039 20 50 CCGDHL CC(C)[C@@H](C(=O)[O-])C(=O)NN=c1ncc(Cl)c[n-]1 ZINC001588807937 961486219 /nfs/dbraw/zinc/48/62/19/961486219.db2.gz FRUKFURCISLTOJ-SSDOTTSWSA-N -2 3 272.692 0.930 20 50 CCGDHL CCC(CC)(C(=O)[O-])C(=O)NN=c1[n-]ccnc1OC ZINC001603525999 973564932 /nfs/dbraw/zinc/56/49/32/973564932.db2.gz PGQHMTZMCJZCNE-UHFFFAOYSA-N -2 3 282.300 0.819 20 50 CCGDHL O=C([O-])[C@H]1C[C@@H]1C(=O)N[N-]C(=O)c1ccc2ccccc2n1 ZINC000739453065 978636210 /nfs/dbraw/zinc/63/62/10/978636210.db2.gz BRWHACNGMYDHML-UWVGGRQHSA-N -2 3 299.286 0.717 20 50 CCGDHL O=C([O-])COc1ccc(C(=O)NN=c2cccn[n-]2)cc1 ZINC000739824113 978655363 /nfs/dbraw/zinc/65/53/63/978655363.db2.gz ILSUMGNJXVPWGF-UHFFFAOYSA-N -2 3 288.263 0.697 20 50 CCGDHL CC[C@@H](C(=O)[O-])C(=O)N[N-]C(=O)c1ncccc1C ZINC001594755755 981668496 /nfs/dbraw/zinc/66/84/96/981668496.db2.gz QPOMONCQPBJUGE-MRVPVSSYSA-N -2 3 265.269 0.262 20 50 CCGDHL C[C@H](NC(=O)/C(C#N)=C/c1ccc([O-])cc1)C(=O)[O-] ZINC001599891806 984703580 /nfs/dbraw/zinc/70/35/80/984703580.db2.gz WZAGCNOGURSHNW-QMEHYBMDSA-N -2 3 260.249 0.888 20 50 CCGDHL O=C([O-])N1CC(CC(=O)NNC(=O)c2ccccc2[O-])C1 ZINC000831366495 604059762 /nfs/dbraw/zinc/05/97/62/604059762.db2.gz KIFUFMIVBIXAAV-UHFFFAOYSA-N -2 3 293.279 0.153 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)[C@H](C)CN(C)C(=O)[O-])n1 ZINC000829649627 604089501 /nfs/dbraw/zinc/08/95/01/604089501.db2.gz JYCILXJZNHTZLK-SSDOTTSWSA-N -2 3 283.288 0.174 20 50 CCGDHL Cc1cccnc1C(=O)[N-]NC(=O)CCCNC(=O)[O-] ZINC000833910879 605926163 /nfs/dbraw/zinc/92/61/63/605926163.db2.gz PYMOOAHQGGDFPW-UHFFFAOYSA-N -2 3 280.284 0.199 20 50 CCGDHL O=C([O-])c1ccc(C(=O)[N-]NC(=O)[C@H]2CCCS2)nc1 ZINC001595220862 949242555 /nfs/dbraw/zinc/24/25/55/949242555.db2.gz LOQKBLJUBPWRGD-SECBINFHSA-N -2 3 295.320 0.436 20 50 CCGDHL O=C([O-])c1ccc(C(=O)NN=c2ncc(Cl)c[n-]2)cn1 ZINC001594781586 953634467 /nfs/dbraw/zinc/63/44/67/953634467.db2.gz FLGXFCJPVBHQNB-UHFFFAOYSA-N -2 3 293.670 0.980 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000820881488 955481393 /nfs/dbraw/zinc/48/13/93/955481393.db2.gz FVKRXZJXQWUZIE-UHFFFAOYSA-N -2 3 288.263 0.940 20 50 CCGDHL COc1cnc(C(=O)[N-]N=c2[nH]cccc2C(=O)[O-])nc1 ZINC001594153199 958807058 /nfs/dbraw/zinc/80/70/58/958807058.db2.gz OKTXDWFHUDZUNO-UHFFFAOYSA-N -2 3 289.251 0.335 20 50 CCGDHL Cc1[nH]c(C(=O)NN=c2cccn[n-]2)c(C)c1C(=O)[O-] ZINC000738157487 978488544 /nfs/dbraw/zinc/48/85/44/978488544.db2.gz RXDJVSXYQLFRDJ-UHFFFAOYSA-N -2 3 275.268 0.877 20 50 CCGDHL CCS(=O)(=O)c1ccccc1C(=O)[N-]NC(=O)[O-] ZINC000827488995 605188409 /nfs/dbraw/zinc/18/84/09/605188409.db2.gz MHCVLWZYWPUCDP-UHFFFAOYSA-N -2 3 272.282 0.393 20 50 CCGDHL O=C([O-])CCCCNC(=O)NNC(=O)c1ccccc1[O-] ZINC000821518810 955510464 /nfs/dbraw/zinc/51/04/64/955510464.db2.gz NUBLSXNGSXBEMX-UHFFFAOYSA-N -2 3 295.295 0.591 20 50 CCGDHL CC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000775248290 978746755 /nfs/dbraw/zinc/74/67/55/978746755.db2.gz VMNYUNXUCFQHFZ-UHFFFAOYSA-N -3 3 290.272 0.162 20 50 CCGDHL Cc1cc(C)[n-]c(=NNC(=O)c2ccc(C(=O)[O-])[nH]2)n1 ZINC001574691581 983269453 /nfs/dbraw/zinc/26/94/53/983269453.db2.gz HBUOGCXNXQDTOD-UHFFFAOYSA-N -2 3 275.268 0.877 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)c1cccc(C(=O)[O-])c1 ZINC001599738333 991808650 /nfs/dbraw/zinc/80/86/50/991808650.db2.gz FNEBMNNEHMLJEY-UHFFFAOYSA-N -2 3 288.263 0.940 20 50 CCGDHL CCC(=O)[N-][N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000828570655 600671829 /nfs/dbraw/zinc/67/18/29/600671829.db2.gz QEZITDRXNYNOJE-UHFFFAOYSA-N -3 3 278.311 0.166 20 50 CCGDHL COc1cc[n-]c(=NNC(=O)[C@H](C)CC(=O)[O-])n1 ZINC000832637417 602092637 /nfs/dbraw/zinc/09/26/37/602092637.db2.gz PEKULSAHKBBJGT-ZCFIWIBFSA-N -2 3 254.246 0.039 20 50 CCGDHL O=C([O-])N1CC(NC(=O)N[N-]C(=O)c2ccccc2F)C1 ZINC000831742803 604606147 /nfs/dbraw/zinc/60/61/47/604606147.db2.gz RQPQWXDRZQOYHS-UHFFFAOYSA-N -2 3 296.258 0.132 20 50 CCGDHL O=C([O-])NCC(=O)NN=Cc1cc(Cl)ccc1[O-] ZINC000834199993 605388929 /nfs/dbraw/zinc/38/89/29/605388929.db2.gz UOIBGEMHOBXZDD-UHFFFAOYSA-N -2 3 271.660 0.763 20 50 CCGDHL O=C([N-]NC(=O)C1CC1)c1ccc(-c2nn[n-]n2)s1 ZINC000823273182 946374715 /nfs/dbraw/zinc/37/47/15/946374715.db2.gz HIJWVMBEVOEDJA-UHFFFAOYSA-N -2 3 278.297 0.099 20 50 CCGDHL O=C([O-])CCC(=O)NN=c1ncc(Br)c[n-]1 ZINC000848453877 955743556 /nfs/dbraw/zinc/74/35/56/955743556.db2.gz FUCBQAKZKMQBIJ-UHFFFAOYSA-N -2 3 289.089 0.547 20 50 CCGDHL COc1ncc[n-]c1=NNC(=O)[C@H](C(=O)[O-])C1CC1 ZINC001604912459 972463975 /nfs/dbraw/zinc/46/39/75/972463975.db2.gz UQTCQNPTNWIQDR-SSDOTTSWSA-N -2 3 266.257 0.039 20 50 CCGDHL CC(C)[C@H](NC(=O)[O-])C(=O)NNC(=O)c1ccccc1[O-] ZINC000736377286 978327805 /nfs/dbraw/zinc/32/78/05/978327805.db2.gz ZBPSWCMBENNVJY-JTQLQIEISA-N -2 3 295.295 0.445 20 50 CCGDHL