smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ncsc1C(=O)N[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000737501934 945083627 /nfs/dbraw/zinc/08/36/27/945083627.db2.gz WPHWSVVNACZHQY-UHFFFAOYSA-N -1 0 399.845 0.908 20 50 GCGDRM O=C(COc1cccc(-c2nn[nH]n2)c1)NN=c1[n-]c(-c2ccncc2)no1 ZINC000737924234 945155559 /nfs/dbraw/zinc/15/55/59/945155559.db2.gz DHFXKOLSIZPLJD-UHFFFAOYSA-N -1 0 379.340 0.834 20 50 GCGDRM O=C(COc1ccccc1-c1nn[nH]n1)NN=c1[n-]c(-c2cccnc2)no1 ZINC000737931230 945158189 /nfs/dbraw/zinc/15/81/89/945158189.db2.gz SALSOOJUOKLAES-UHFFFAOYSA-N -1 0 379.340 0.834 20 50 GCGDRM O=C([N-]NC(=O)c1ccc(-c2nn[nH]n2)nc1)C(F)(F)Oc1ccccc1 ZINC000738130870 945213694 /nfs/dbraw/zinc/21/36/94/945213694.db2.gz YAINJXNTKMWTBY-UHFFFAOYSA-N -1 0 375.295 0.695 20 50 GCGDRM O=C(N[N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1cccc(-c2nn[nH]n2)c1 ZINC000738134880 945225476 /nfs/dbraw/zinc/22/54/76/945225476.db2.gz XJXVQWPRXPCIAY-UHFFFAOYSA-N -1 0 398.326 0.907 20 50 GCGDRM C=CCNC(=S)NNC(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C ZINC000819750378 945279055 /nfs/dbraw/zinc/27/90/55/945279055.db2.gz DWKWGRLQSKROHT-UHFFFAOYSA-N -1 0 376.446 0.198 20 50 GCGDRM CC(C)c1cc(C(=O)[N-]NC(=O)COc2ccc(-c3nn[nH]n3)cc2)nn1C ZINC000820187667 945368568 /nfs/dbraw/zinc/36/85/68/945368568.db2.gz LZGJIQFDPXMZOX-UHFFFAOYSA-N -1 0 384.400 0.564 20 50 GCGDRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NNC(=O)c2ccc[nH]2)C1=O ZINC001611344589 971002033 /nfs/dbraw/zinc/00/20/33/971002033.db2.gz XBMJTHNKAXUXKF-ZIAGYGMSSA-N -1 0 385.380 0.386 20 50 GCGDRM CC(=O)c1ccc(C(=O)[N-]NC(=O)COc2ccc(-c3nn[nH]n3)cc2)s1 ZINC000735496057 944665864 /nfs/dbraw/zinc/66/58/64/944665864.db2.gz UKWSJZIZVHJEBA-UHFFFAOYSA-N -1 0 386.393 0.971 20 50 GCGDRM CC(C)CCC(=O)N[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000735798109 944702915 /nfs/dbraw/zinc/70/29/15/944702915.db2.gz VADOCDSGBJAABF-UHFFFAOYSA-N -1 0 383.390 0.521 20 50 GCGDRM CCOC(=O)c1ccc(C(=O)[N-]NC(=O)c2cccc(-c3nn[nH]n3)c2)nc1C ZINC000736603055 944853786 /nfs/dbraw/zinc/85/37/86/944853786.db2.gz SBAYVVUNJYYCEY-UHFFFAOYSA-N -1 0 395.379 0.822 20 50 GCGDRM CCc1n[nH]c(C(=O)NNc2oc(C(C)C)nc2-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000736666661 944866142 /nfs/dbraw/zinc/86/61/42/944866142.db2.gz MHOYIWKIFNOVGM-UHFFFAOYSA-N -1 0 376.337 0.929 20 50 GCGDRM COc1ccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[nH]n3)c2)cc1F ZINC000737114497 944961709 /nfs/dbraw/zinc/96/17/09/944961709.db2.gz GNBUJUQKJUPDAT-UHFFFAOYSA-N -1 0 392.372 0.638 20 50 GCGDRM COc1ccc(S(=O)(=O)[N-]NC(=O)c2cccc(-c3nn[nH]n3)c2)cc1C ZINC000737114479 944962263 /nfs/dbraw/zinc/96/22/63/944962263.db2.gz GFCJPYMDQSCNKG-UHFFFAOYSA-N -1 0 388.409 0.807 20 50 GCGDRM COc1ccccc1C(=O)N[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000737138224 944966375 /nfs/dbraw/zinc/96/63/75/944966375.db2.gz LPDLBVPYVQHKFN-UHFFFAOYSA-N -1 0 388.409 0.807 20 50 GCGDRM COc1ccccc1C(=O)N[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000737137740 944966443 /nfs/dbraw/zinc/96/64/43/944966443.db2.gz IXPVQUJDBAPACL-UHFFFAOYSA-N -1 0 392.372 0.638 20 50 GCGDRM Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)NN=c1nc[nH]c2[nH]cnc21 ZINC000737200410 944983635 /nfs/dbraw/zinc/98/36/35/944983635.db2.gz MKWLFRCXWSDCRC-UHFFFAOYSA-N -1 0 395.387 0.326 20 50 GCGDRM Cc1cc(C(=O)N[N-]C(=O)c2cn[nH]n2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737236164 945017442 /nfs/dbraw/zinc/01/74/42/945017442.db2.gz FKTPXPICXPSGMF-UHFFFAOYSA-N -1 0 392.383 0.467 20 50 GCGDRM Cc1cc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nn[nH]n3)cc2)cnc1Cl ZINC000737282252 945030552 /nfs/dbraw/zinc/03/05/52/945030552.db2.gz DHZQPENQCLVDDC-UHFFFAOYSA-N -1 0 393.816 0.847 20 50 GCGDRM Cc1ccc(S(=O)(=O)[N-]NC(=O)c2ccc(-c3nn[nH]n3)cc2)c(F)c1 ZINC000737370565 945051657 /nfs/dbraw/zinc/05/16/57/945051657.db2.gz SBSDBSYVQVTGLZ-UHFFFAOYSA-N -1 0 376.373 0.938 20 50 GCGDRM Cc1cccc(-n2cc(C(=O)[N-]NC(=O)c3cccc(-c4nn[nH]n4)c3)nn2)c1 ZINC000737381398 945053206 /nfs/dbraw/zinc/05/32/06/945053206.db2.gz HBRPVLNKWHQYNG-UHFFFAOYSA-N -1 0 389.379 0.831 20 50 GCGDRM COc1ccc(NC(=S)N[N-]C(=O)c2ccc(-c3nn[nH]n3)s2)cn1 ZINC000821836062 945883025 /nfs/dbraw/zinc/88/30/25/945883025.db2.gz ZMNLPJYFTMYLJR-UHFFFAOYSA-N -1 0 376.427 0.963 20 50 GCGDRM Cc1cc(C(=O)NNC(=O)CCc2c(C)[nH]c(=O)c(-c3nnn[n-]3)c2C)[nH]n1 ZINC000822176588 945971267 /nfs/dbraw/zinc/97/12/67/945971267.db2.gz LSJZSEMQWHJNDE-UHFFFAOYSA-N -1 0 385.388 0.009 20 50 GCGDRM Cc1ccc(C(=O)[N-]NC(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)o1 ZINC000822226079 946002983 /nfs/dbraw/zinc/00/29/83/946002983.db2.gz BNDWRJQPAQKACK-UHFFFAOYSA-N -1 0 393.367 0.611 20 50 GCGDRM Cc1nn(C)c(C)c1OCC(=O)NNc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000822492205 946105681 /nfs/dbraw/zinc/10/56/81/946105681.db2.gz VJTYGQZFQJDKDN-UHFFFAOYSA-N -1 0 375.393 0.851 20 50 GCGDRM C[C@@H](C(=O)[O-])C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC001602805393 971585407 /nfs/dbraw/zinc/58/54/07/971585407.db2.gz SUIKDXTXENUTOY-LLVKDONJSA-N -1 0 383.426 0.343 20 50 GCGDRM CC(C)(C)OC(=O)N1C[C@H](NC(=O)NN=c2ccc(-c3nnn[n-]3)c[nH]2)CO1 ZINC001573857062 950397859 /nfs/dbraw/zinc/39/78/59/950397859.db2.gz MPGDGLZBNMMPFC-JTQLQIEISA-N -1 0 391.392 0.439 20 50 GCGDRM CCOc1cc(C(=O)NNC(=O)[C@H](OC)C(=O)[O-])cc(OCC)c1OCC ZINC001592094669 951299619 /nfs/dbraw/zinc/29/96/19/951299619.db2.gz SIWIEEZMLVQIIB-AWEZNQCLSA-N -1 0 384.385 0.743 20 50 GCGDRM O=C([O-])C1(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCC1 ZINC001594778814 953609987 /nfs/dbraw/zinc/60/99/87/953609987.db2.gz ATVZVYGOIXMINA-UHFFFAOYSA-N -1 0 395.437 0.487 20 50 GCGDRM O=C([O-])C1(C(=O)NNC(=O)c2ccc3ccccc3c2)CCS(=O)(=O)CC1 ZINC001594783245 953655268 /nfs/dbraw/zinc/65/52/68/953655268.db2.gz XGTVIIMNCFEYLG-UHFFFAOYSA-N -1 0 390.417 0.880 20 50 GCGDRM O=C([O-])C(=O)N1CCN(C(=O)[C@]2(c3ccccc3)C[C@H]2Br)CC1 ZINC001594825155 953933953 /nfs/dbraw/zinc/93/39/53/953933953.db2.gz BYOAQXASMAUMOH-WBMJQRKESA-N -1 0 381.226 0.847 20 50 GCGDRM CN(NC(=O)[C@@H](C(=O)[O-])C1CC1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001593766262 954518407 /nfs/dbraw/zinc/51/84/07/954518407.db2.gz JXIVWPCAGDURLL-LBPRGKRZSA-N -1 0 384.433 0.733 20 50 GCGDRM CN1CCN(S(=O)(=O)c2ccc[nH]c2=NNC(=O)CCCCC(=O)[O-])CC1 ZINC001593784335 954682424 /nfs/dbraw/zinc/68/24/24/954682424.db2.gz DTXMPYQDXZXPMU-UHFFFAOYSA-N -1 0 399.473 0.106 20 50 GCGDRM CC[C@@H](CNC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C)C(=O)[O-] ZINC001589538487 955181878 /nfs/dbraw/zinc/18/18/78/955181878.db2.gz LFYHUOSWKNHSAM-JTQLQIEISA-N -1 0 385.446 0.343 20 50 GCGDRM O=C([O-])C1CCC(NC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)CC1 ZINC000738506651 955243704 /nfs/dbraw/zinc/24/37/04/955243704.db2.gz FYHHCTQNTXAGAO-UHFFFAOYSA-N -1 0 390.444 0.667 20 50 GCGDRM O=C([O-])c1cccc(C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000739323844 955253059 /nfs/dbraw/zinc/25/30/59/955253059.db2.gz CSQZQLNURWAZNM-UHFFFAOYSA-N -1 0 387.304 0.911 20 50 GCGDRM O=C([O-])[C@@H]1CC(C(=O)NNC(=O)c2ccc3c(c2)OCO3)=NN1c1ccccc1 ZINC000740455738 955259499 /nfs/dbraw/zinc/25/94/99/955259499.db2.gz JLKHFFNLMUBDOS-AWEZNQCLSA-N -1 0 396.359 0.896 20 50 GCGDRM CCn1nc(C(=O)NNC(=O)NCCCCC(=O)[O-])c2ccccc2c1=O ZINC000820517253 955471842 /nfs/dbraw/zinc/47/18/42/955471842.db2.gz ARCKNBGNCCJNJL-UHFFFAOYSA-N -1 0 375.385 0.615 20 50 GCGDRM CS(=O)(=O)c1cccc(C(=O)NNC(=O)NCc2cccc(C(=O)[O-])c2)c1 ZINC000820899905 955483423 /nfs/dbraw/zinc/48/34/23/955483423.db2.gz JOGNTERJMCPXIE-UHFFFAOYSA-N -1 0 391.405 0.933 20 50 GCGDRM COC(=O)Cc1ccc(NNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)cc1 ZINC001593854343 955484622 /nfs/dbraw/zinc/48/46/22/955484622.db2.gz GVELRQVDZHCKEK-UHFFFAOYSA-N -1 0 384.410 0.125 20 50 GCGDRM O=C([O-])c1ccc(C(=O)OCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000821392126 955502639 /nfs/dbraw/zinc/50/26/39/955502639.db2.gz HXKCDRXWJJIVIA-UHFFFAOYSA-N -1 0 387.304 0.911 20 50 GCGDRM O=C([O-])c1cccc(CNC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c1 ZINC000821446220 955504466 /nfs/dbraw/zinc/50/44/66/955504466.db2.gz BGGGKKJXLAJELP-UHFFFAOYSA-N -1 0 381.352 0.505 20 50 GCGDRM COc1ccccc1SCC(=O)NNC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000831063046 955549163 /nfs/dbraw/zinc/54/91/63/955549163.db2.gz RKVKIMJZNVVUTI-UHFFFAOYSA-N -1 0 397.453 0.999 20 50 GCGDRM CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCC2(C(=O)[O-])CCC2)nc1 ZINC000851653605 955797796 /nfs/dbraw/zinc/79/77/96/955797796.db2.gz TTYDDABHDKYQGG-UHFFFAOYSA-N -1 0 385.446 0.649 20 50 GCGDRM Cn1nc(C(=O)[O-])cc1C(=O)NNc1ccccc1S(=O)(=O)NC(C)(C)C ZINC001594568306 955855818 /nfs/dbraw/zinc/85/58/18/955855818.db2.gz KYGAWFTYBCGLHB-UHFFFAOYSA-N -1 0 395.441 0.952 20 50 GCGDRM COC(=O)c1cccc(NNC(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)c1 ZINC001593899250 955857862 /nfs/dbraw/zinc/85/78/62/955857862.db2.gz WLKNKGTUUNEUJN-ZDUSSCGKSA-N -1 0 378.385 0.565 20 50 GCGDRM C[C@H](NC(=S)NNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1)C1CC1 ZINC001589121319 956123299 /nfs/dbraw/zinc/12/32/99/956123299.db2.gz IOPUQSXHVOBKJB-HZMBPMFUSA-N -1 0 375.454 1.000 20 50 GCGDRM C[C@@H](NC(=S)NNC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1)C1CC1 ZINC001589121321 956123565 /nfs/dbraw/zinc/12/35/65/956123565.db2.gz IOPUQSXHVOBKJB-QMTHXVAHSA-N -1 0 375.454 1.000 20 50 GCGDRM C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001589167165 956428848 /nfs/dbraw/zinc/42/88/48/956428848.db2.gz GWKCHMYOZOECEZ-JTQLQIEISA-N -1 0 393.783 0.815 20 50 GCGDRM COc1ccc(Br)c(C(=O)NNC(=O)[C@@]2(C(=O)[O-])CCCO2)c1 ZINC001594075377 958217517 /nfs/dbraw/zinc/21/75/17/958217517.db2.gz NSTMVGAJYCTFSJ-CQSZACIVSA-N -1 0 387.186 0.853 20 50 GCGDRM COc1ccc(CCC(=O)NNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)cc1 ZINC001594088630 958336896 /nfs/dbraw/zinc/33/68/96/958336896.db2.gz UERVRBJSBKEBRY-AWEZNQCLSA-N -1 0 377.397 0.098 20 50 GCGDRM Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC001594376986 958597398 /nfs/dbraw/zinc/59/73/98/958597398.db2.gz PROXQDFSJHMGLA-QWHCGFSZSA-N -1 0 397.453 0.264 20 50 GCGDRM Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H](C(=O)[O-])C(C)C)cc1 ZINC001594377055 958598816 /nfs/dbraw/zinc/59/88/16/958598816.db2.gz XMRABDQPJYYDFJ-CQSZACIVSA-N -1 0 385.442 0.120 20 50 GCGDRM Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC001594457080 959429954 /nfs/dbraw/zinc/42/99/54/959429954.db2.gz WBMHSRYIECIGFC-QGZVFWFLSA-N -1 0 394.453 0.860 20 50 GCGDRM C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001573641815 959618224 /nfs/dbraw/zinc/61/82/24/959618224.db2.gz VWAYFYOASBOHRI-ZWNOBZJWSA-N -1 0 397.815 0.578 20 50 GCGDRM C[C@@H]1CCc2sc(C(=O)NNC(=O)NCCOCCOCC(=O)[O-])cc2C1 ZINC001573739593 960479779 /nfs/dbraw/zinc/47/97/79/960479779.db2.gz VFQCVMLKEMXHQB-LLVKDONJSA-N -1 0 399.469 0.935 20 50 GCGDRM CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)[C@@](C)(C#N)CC(=O)[O-])CC1 ZINC001588679779 960607877 /nfs/dbraw/zinc/60/78/77/960607877.db2.gz TUOPCQXFULEQJZ-QGZVFWFLSA-N -1 0 382.417 0.785 20 50 GCGDRM CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)[C@@H](C(=O)[O-])C2CC2)CC1 ZINC001588687297 960674270 /nfs/dbraw/zinc/67/42/70/960674270.db2.gz UDCXFHOCIOUGOQ-LBPRGKRZSA-N -1 0 384.433 0.827 20 50 GCGDRM 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NC(=O)[C@H]1CC(C(=O)NNc2ncccc2C(=O)[O-])=NN1c1ccc(F)cc1 ZINC001605627163 973965361 /nfs/dbraw/zinc/96/53/61/973965361.db2.gz VURRBBGUPSPRNC-CYBMUJFWSA-N -1 0 386.343 0.482 20 50 GCGDRM CCCCOc1ccc(C(=O)NNC(=O)[C@@H]2CC(C(=O)[O-])=NO2)cc1OC ZINC001603652463 974014039 /nfs/dbraw/zinc/01/40/39/974014039.db2.gz GPIASHKEMYZLTP-AWEZNQCLSA-N -1 0 379.369 0.865 20 50 GCGDRM COc1ccc(NC(=O)NNC(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)cc1 ZINC001604820945 974057884 /nfs/dbraw/zinc/05/78/84/974057884.db2.gz XWVDVVNQJSBKTL-CYBMUJFWSA-N -1 0 393.400 0.497 20 50 GCGDRM O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NN=c1[nH]cccc1C(=O)[O-] ZINC001605677294 974093048 /nfs/dbraw/zinc/09/30/48/974093048.db2.gz ZOONHXYABNPDON-GVXVVHGQSA-N -1 0 379.442 0.949 20 50 GCGDRM CCOc1ccccc1OCC(=O)NNC(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001603885149 974384452 /nfs/dbraw/zinc/38/44/52/974384452.db2.gz JWBDVMLHIWJKHV-STQMWFEESA-N -1 0 380.397 0.881 20 50 GCGDRM CC(C)OCCS(=O)(=O)NCC(=O)NNc1cccc(C(=O)[O-])c1F ZINC001591726800 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399.425 0.563 20 50 GCGDRM CCOc1cc(C(=O)NNC(=O)Cn2nc(C)cc2C)ccc1OCC(=O)[O-] ZINC000737185245 978385082 /nfs/dbraw/zinc/38/50/82/978385082.db2.gz GKDOWZNSGPKHFN-UHFFFAOYSA-N -1 0 390.396 0.823 20 50 GCGDRM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C ZINC000738167082 978492512 /nfs/dbraw/zinc/49/25/12/978492512.db2.gz UPDALDHZQJBUNR-UHFFFAOYSA-N -1 0 383.405 0.798 20 50 GCGDRM Cc1oc(CN(C)C(=O)NNC(=O)CNC(=O)c2ccco2)cc1C(=O)[O-] ZINC000738967372 978610965 /nfs/dbraw/zinc/61/09/65/978610965.db2.gz NJBYNDGPDNDFMS-UHFFFAOYSA-N -1 0 378.341 0.482 20 50 GCGDRM N#Cc1ccccc1OCC(=O)NNC(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000739147702 978619256 /nfs/dbraw/zinc/61/92/56/978619256.db2.gz ZDVOWCXXJCWFNX-UHFFFAOYSA-N -1 0 398.375 0.931 20 50 GCGDRM O=C([O-])[C@@H]1CC12CCN(CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000739279101 978626822 /nfs/dbraw/zinc/62/68/22/978626822.db2.gz SBTLAHHMCLRJGG-ZDUSSCGKSA-N -1 0 376.369 0.543 20 50 GCGDRM O=C([O-])c1ccccc1C(=O)OCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000739325496 978628687 /nfs/dbraw/zinc/62/86/87/978628687.db2.gz SHODESJHJPNNMA-UHFFFAOYSA-N -1 0 387.304 0.911 20 50 GCGDRM O=C([O-])c1ccc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)s1 ZINC000740110190 978669925 /nfs/dbraw/zinc/66/99/25/978669925.db2.gz WGOCMPCUCMOEDH-UHFFFAOYSA-N -1 0 375.410 0.914 20 50 GCGDRM Cc1ccc(S(=O)(=O)N(C)CC(=O)NN=Cc2ccc(C(=O)[O-])[nH]2)cc1 ZINC000749811585 978689768 /nfs/dbraw/zinc/68/97/68/978689768.db2.gz CNLQTOZMBKIQKR-UHFFFAOYSA-N -1 0 378.410 0.792 20 50 GCGDRM C[C@H](Oc1ccc(/C=C(/C#N)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1)C(=O)[O-] ZINC000794685016 978814755 /nfs/dbraw/zinc/81/47/55/978814755.db2.gz CPCBUGJMZUVFNZ-UVIKPUKZSA-N -1 0 398.375 0.308 20 50 GCGDRM C[C@@H](Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1)C(=O)[O-] ZINC001592857311 979663772 /nfs/dbraw/zinc/66/37/72/979663772.db2.gz IHXOAETYKQPKIH-MJVIPROJSA-N -1 0 377.397 0.603 20 50 GCGDRM C[C@H](Cc1ccc(NC(=O)C(=O)NNC(=O)[C@@H]2CC[C@H](C)O2)cc1)C(=O)[O-] ZINC001592857312 979663814 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391.453 0.780 20 50 GCGDRM CCN1C(=O)CO[C@H](C(=O)NNc2cccc(C(=O)[O-])c2)[C@H]1c1ccnn1C ZINC001596393295 983928791 /nfs/dbraw/zinc/92/87/91/983928791.db2.gz ZUFOWQPYBYRVGO-CVEARBPZSA-N -1 0 387.396 0.550 20 50 GCGDRM Cc1c(C(=O)NNc2cccc(C(=O)[O-])c2)cnc2c1c(=O)n(C)c(=O)n2C ZINC001599982163 986178929 /nfs/dbraw/zinc/17/89/29/986178929.db2.gz LNTOECRLQAGUEZ-UHFFFAOYSA-N -1 0 383.364 0.396 20 50 GCGDRM CCOc1cc(C(=O)[O-])ccc1NC(=O)NNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001597021151 986408528 /nfs/dbraw/zinc/40/85/28/986408528.db2.gz URVLGDYVWBQJTQ-SNVBAGLBSA-N -1 0 385.398 0.371 20 50 GCGDRM C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC001594642539 986805980 /nfs/dbraw/zinc/80/59/80/986805980.db2.gz KTRGLMRWHHCLJG-IONNQARKSA-N -1 0 381.410 0.835 20 50 GCGDRM C[C@@H]1OCC[C@@H]1C(=O)NNC(=O)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC001594642538 986805995 /nfs/dbraw/zinc/80/59/95/986805995.db2.gz KTRGLMRWHHCLJG-CBAPKCEASA-N -1 0 381.410 0.835 20 50 GCGDRM C[C@H]1OCC[C@H]1C(=O)NNC(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC001594644139 986832311 /nfs/dbraw/zinc/83/23/11/986832311.db2.gz LTDUDKBXZAFOBK-PRHODGIISA-N -1 0 385.398 0.366 20 50 GCGDRM CCC(=NNC(=O)NCC(=O)[O-])c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC001594694401 987107415 /nfs/dbraw/zinc/10/74/15/987107415.db2.gz VWJKSYUCDFGNPI-UHFFFAOYSA-N -1 0 376.822 0.746 20 50 GCGDRM CCS(=O)(=O)N[C@@H](CCSC)C(=O)NNc1cccc(C(=O)[O-])c1 ZINC001597223860 987158721 /nfs/dbraw/zinc/15/87/21/987158721.db2.gz BCYINMIVHMJCED-LBPRGKRZSA-N -1 0 375.472 0.889 20 50 GCGDRM CCS(=O)(=O)N[C@@H](CCSC)C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC001597224371 987164476 /nfs/dbraw/zinc/16/44/76/987164476.db2.gz UEPYWGUSSORPNA-JTQLQIEISA-N -1 0 376.460 0.284 20 50 GCGDRM CCC(=O)NNC(=O)C(=O)Nc1cc(Br)c(F)c(C(=O)[O-])c1 ZINC001594712633 987178697 /nfs/dbraw/zinc/17/86/97/987178697.db2.gz VTDMXMJLUGZKRO-UHFFFAOYSA-N -1 0 376.138 0.782 20 50 GCGDRM CC(C)(C)CC(=O)NNC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001589741021 988014779 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