smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000026269899 1073933826 /nfs/dbraw/zinc/93/38/26/1073933826.db2.gz CSKAFIJEOJHSGD-UHFFFAOYSA-N -1 0 389.397 -0.235 20 30 GBEDRM N#Cc1nc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)[n-]c1C#N ZINC000026270339 1073933589 /nfs/dbraw/zinc/93/35/89/1073933589.db2.gz QPCFJWVKVNQMPG-UHFFFAOYSA-N -1 0 375.370 -0.246 20 30 GBEDRM C=CCNS(=O)(=O)c1cccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c1 ZINC000060242189 530363534 /nfs/dbraw/zinc/36/35/34/530363534.db2.gz SAUOOZZWXBPGDS-UHFFFAOYSA-N -1 0 385.427 -0.075 20 30 GBEDRM C=CCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)[O-] ZINC000262889952 1073855996 /nfs/dbraw/zinc/85/59/96/1073855996.db2.gz LJKLOIATYCEBFU-AWEZNQCLSA-N -1 0 395.437 -0.044 20 30 GBEDRM C=CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)C(=O)[O-] ZINC000262889954 1073856392 /nfs/dbraw/zinc/85/63/92/1073856392.db2.gz LJKLOIATYCEBFU-CQSZACIVSA-N -1 0 395.437 -0.044 20 30 GBEDRM C=CCCO[C@H](C)C(=O)N1CCO[C@@H](CN(CC(=O)[O-])S(C)(=O)=O)C1 ZINC000262912440 530354083 /nfs/dbraw/zinc/35/40/83/530354083.db2.gz JXQJTHYUNQRGOR-CHWSQXEVSA-N -1 0 378.447 -0.459 20 30 GBEDRM C=CCCO[C@H](C)C(=O)N1CCO[C@H](CN(CC(=O)[O-])S(C)(=O)=O)C1 ZINC000262912450 530354138 /nfs/dbraw/zinc/35/41/38/530354138.db2.gz JXQJTHYUNQRGOR-OLZOCXBDSA-N -1 0 378.447 -0.459 20 30 GBEDRM C=CCCO[C@@H](C)C(=O)N1CCO[C@@H](CN(CC(=O)[O-])S(C)(=O)=O)C1 ZINC000262912459 530354020 /nfs/dbraw/zinc/35/40/20/530354020.db2.gz JXQJTHYUNQRGOR-QWHCGFSZSA-N -1 0 378.447 -0.459 20 30 GBEDRM C=CCCO[C@@H](C)C(=O)N1CCO[C@H](CN(CC(=O)[O-])S(C)(=O)=O)C1 ZINC000262912470 530354003 /nfs/dbraw/zinc/35/40/03/530354003.db2.gz JXQJTHYUNQRGOR-STQMWFEESA-N -1 0 378.447 -0.459 20 30 GBEDRM C=CCOCCCC(=O)N1CCO[C@@H](CN(CC(=O)[O-])S(C)(=O)=O)C1 ZINC000262929384 637414910 /nfs/dbraw/zinc/41/49/10/637414910.db2.gz LWJFYILDQTWTRZ-CYBMUJFWSA-N -1 0 378.447 -0.457 20 30 GBEDRM C=CCOCCCC(=O)N1CCO[C@H](CN(CC(=O)[O-])S(C)(=O)=O)C1 ZINC000262929389 637415954 /nfs/dbraw/zinc/41/59/54/637415954.db2.gz LWJFYILDQTWTRZ-ZDUSSCGKSA-N -1 0 378.447 -0.457 20 30 GBEDRM Cn1cc(S(=O)(=O)[N-]c2ncccc2OCCCC#N)c(=O)n(C)c1=O ZINC000271944909 1072366836 /nfs/dbraw/zinc/36/68/36/1072366836.db2.gz MWJFEKARTSNNTM-UHFFFAOYSA-N -1 0 379.398 -0.038 20 30 GBEDRM N#Cc1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])ccc1F ZINC000275086524 530131239 /nfs/dbraw/zinc/13/12/39/530131239.db2.gz JOKHJUKYCIQVHD-JTQLQIEISA-N -1 0 376.387 -0.040 20 30 GBEDRM N#Cc1cc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])ccc1F ZINC000275086525 530114057 /nfs/dbraw/zinc/11/40/57/530114057.db2.gz JOKHJUKYCIQVHD-SNVBAGLBSA-N -1 0 376.387 -0.040 20 30 GBEDRM CCS(=O)(=O)NCCS(=O)(=O)N(CC(=O)[O-])Cc1cccc(C#N)c1 ZINC000275126531 530130848 /nfs/dbraw/zinc/13/08/48/530130848.db2.gz ORFHTWVCUOLWIH-UHFFFAOYSA-N -1 0 389.455 -0.286 20 30 GBEDRM Cn1cc(S(=O)(=O)N(CC(=O)[O-])Cc2cccc(C#N)c2)c(=O)n(C)c1=O ZINC000275147089 1072252947 /nfs/dbraw/zinc/25/29/47/1072252947.db2.gz RAJHLKNCEAJRAP-UHFFFAOYSA-N -1 0 392.393 -0.769 20 30 GBEDRM N#Cc1cc(F)c(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c(F)c1 ZINC000275157493 530131853 /nfs/dbraw/zinc/13/18/53/530131853.db2.gz SPNJUKUJWCQRPJ-JTQLQIEISA-N -1 0 380.350 -0.291 20 30 GBEDRM N#Cc1cc(F)c(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c(F)c1 ZINC000275157494 530131915 /nfs/dbraw/zinc/13/19/15/530131915.db2.gz SPNJUKUJWCQRPJ-SNVBAGLBSA-N -1 0 380.350 -0.291 20 30 GBEDRM CC(C)NS(=O)(=O)NCC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000277132842 530215225 /nfs/dbraw/zinc/21/52/25/530215225.db2.gz JIKKZLMNFSTURL-UHFFFAOYSA-N -1 0 382.414 -0.053 20 30 GBEDRM C#CCNC(=O)CN1CCCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CC1 ZINC000277576088 1072348536 /nfs/dbraw/zinc/34/85/36/1072348536.db2.gz YHWKRDKQZSHOSL-UHFFFAOYSA-N -1 0 376.379 -0.273 20 30 GBEDRM C=CCNS(=O)(=O)c1ccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)cc1 ZINC000277663974 530354868 /nfs/dbraw/zinc/35/48/68/530354868.db2.gz PFYCNAJQVAFHCI-UHFFFAOYSA-N -1 0 389.455 -0.653 20 30 GBEDRM C=CCNS(=O)(=O)c1cccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000277771277 530354971 /nfs/dbraw/zinc/35/49/71/530354971.db2.gz WDAYOJNTLFGBEN-UHFFFAOYSA-N -1 0 389.455 -0.653 20 30 GBEDRM CCn1cc(C#N)c(=O)n(CC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)c1=O ZINC000279345702 1073666182 /nfs/dbraw/zinc/66/61/82/1073666182.db2.gz IUMSDUDZJFROSM-UHFFFAOYSA-N -1 0 376.394 -0.285 20 30 GBEDRM N#CCN1CCN(C(=O)c2cccc(C(=O)N3CCN(CC#N)CC3)c2[O-])CC1 ZINC000280780619 1073028284 /nfs/dbraw/zinc/02/82/84/1073028284.db2.gz CNPFEWUMHPHKOO-UHFFFAOYSA-N -1 0 396.451 -0.045 20 30 GBEDRM C=CCN1CC[C@@H](N(C)S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1=O ZINC000281581111 1073435632 /nfs/dbraw/zinc/43/56/32/1073435632.db2.gz QGJNUQKJJZTXIC-LLVKDONJSA-N -1 0 379.398 -0.157 20 30 GBEDRM C=CCN1CC[C@H](N(C)S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1=O ZINC000281581114 1073435657 /nfs/dbraw/zinc/43/56/57/1073435657.db2.gz QGJNUQKJJZTXIC-NSHDSACASA-N -1 0 379.398 -0.157 20 30 GBEDRM N#Cc1cncc(S(=O)(=O)[N-]c2ccn(CC(=O)N3CCOCC3)n2)c1 ZINC000290564209 1073240703 /nfs/dbraw/zinc/24/07/03/1073240703.db2.gz SHANFMXCTSGGRT-UHFFFAOYSA-N -1 0 376.398 -0.191 20 30 GBEDRM N#Cc1cncc(S(=O)(=O)[N-]c2cnn(CC(=O)N3CCOCC3)c2)c1 ZINC000290578640 1073240327 /nfs/dbraw/zinc/24/03/27/1073240327.db2.gz VLRQWSCOPFTFIR-UHFFFAOYSA-N -1 0 376.398 -0.191 20 30 GBEDRM N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])cc1F ZINC000291875623 530199100 /nfs/dbraw/zinc/19/91/00/530199100.db2.gz MAOCBRGTYHXRFT-JTQLQIEISA-N -1 0 376.387 -0.040 20 30 GBEDRM N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])cc1F ZINC000291875626 530199140 /nfs/dbraw/zinc/19/91/40/530199140.db2.gz MAOCBRGTYHXRFT-SNVBAGLBSA-N -1 0 376.387 -0.040 20 30 GBEDRM C=CCNS(=O)(=O)c1cc(C(=O)NCCCNS(C)(=O)=O)ccc1F ZINC000298430277 530082233 /nfs/dbraw/zinc/08/22/33/530082233.db2.gz WVMXZJKXIXEGGQ-UHFFFAOYSA-N -1 0 393.462 -0.041 20 30 GBEDRM Cc1nc(S(=O)(=O)N2CCN(C([O-])=Nc3cccn(C)c3=O)CC2)cn1C ZINC000330089712 1073395705 /nfs/dbraw/zinc/39/57/05/1073395705.db2.gz WBSGKFDMLSELOF-UHFFFAOYSA-N -1 0 394.457 -0.021 20 30 GBEDRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@](F)(C#N)C2)nn1C ZINC000348338035 530329373 /nfs/dbraw/zinc/32/93/73/530329373.db2.gz DYSZTVWCKDOYDN-GFCCVEGCSA-N -1 0 394.454 -0.477 20 30 GBEDRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@](F)(C#N)C2)nn1C ZINC000348338041 530329617 /nfs/dbraw/zinc/32/96/17/530329617.db2.gz DYSZTVWCKDOYDN-LBPRGKRZSA-N -1 0 394.454 -0.477 20 30 GBEDRM COc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(C#N)C2)nc1 ZINC000348338096 530073339 /nfs/dbraw/zinc/07/33/39/530073339.db2.gz FCCOWTXLIGNCEC-UHFFFAOYSA-N -1 0 389.459 -0.208 20 30 GBEDRM CCc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)o1 ZINC000348338902 530329333 /nfs/dbraw/zinc/32/93/33/530329333.db2.gz FUJJLPOHOQLPIX-UHFFFAOYSA-N -1 0 393.447 -0.946 20 30 GBEDRM N#C[C@]1(F)CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncccn2)C1 ZINC000348341117 530329543 /nfs/dbraw/zinc/32/95/43/530329543.db2.gz IBEBCTJXHNTHNI-GFCCVEGCSA-N -1 0 377.423 -0.124 20 30 GBEDRM N#C[C@@]1(F)CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncccn2)C1 ZINC000348341118 530329376 /nfs/dbraw/zinc/32/93/76/530329376.db2.gz IBEBCTJXHNTHNI-LBPRGKRZSA-N -1 0 377.423 -0.124 20 30 GBEDRM CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cncc(OC)n1 ZINC000348341886 530168727 /nfs/dbraw/zinc/16/87/27/530168727.db2.gz IOSCYKGDPAFSRX-UHFFFAOYSA-N -1 0 376.460 -0.098 20 30 GBEDRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@](F)(C#N)C2)n1 ZINC000348341993 530329787 /nfs/dbraw/zinc/32/97/87/530329787.db2.gz IUNMMVWJHRPXPV-LLVKDONJSA-N -1 0 380.427 -0.786 20 30 GBEDRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@](F)(C#N)C2)n1 ZINC000348341997 530329761 /nfs/dbraw/zinc/32/97/61/530329761.db2.gz IUNMMVWJHRPXPV-NSHDSACASA-N -1 0 380.427 -0.786 20 30 GBEDRM COc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(C#N)C2)ncn1 ZINC000348343050 530073240 /nfs/dbraw/zinc/07/32/40/530073240.db2.gz JKDCUKPUEFDRLU-UHFFFAOYSA-N -1 0 389.459 -0.208 20 30 GBEDRM COc1cncnc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC(C#N)C1 ZINC000348344156 530330019 /nfs/dbraw/zinc/33/00/19/530330019.db2.gz KHEFBINVJFUVAD-UHFFFAOYSA-N -1 0 375.432 -0.598 20 30 GBEDRM COc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)nc1 ZINC000348344212 530329987 /nfs/dbraw/zinc/32/99/87/530329987.db2.gz KLOQVRYFNJODKQ-UHFFFAOYSA-N -1 0 375.432 -0.598 20 30 GBEDRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@](F)(C#N)C2)nnn1C ZINC000348344842 530329926 /nfs/dbraw/zinc/32/99/26/530329926.db2.gz KQYPHMPSLFWAIL-GFCCVEGCSA-N -1 0 394.454 -0.477 20 30 GBEDRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@](F)(C#N)C2)nnn1C ZINC000348344843 530329960 /nfs/dbraw/zinc/32/99/60/530329960.db2.gz KQYPHMPSLFWAIL-LBPRGKRZSA-N -1 0 394.454 -0.477 20 30 GBEDRM COc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)ncn1 ZINC000348344914 530329812 /nfs/dbraw/zinc/32/98/12/530329812.db2.gz LBPAUTLAZGANEM-UHFFFAOYSA-N -1 0 375.432 -0.598 20 30 GBEDRM COc1cncnc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC(C)(C#N)C1 ZINC000348346810 530329730 /nfs/dbraw/zinc/32/97/30/530329730.db2.gz MFSUDHRDFOKXML-UHFFFAOYSA-N -1 0 389.459 -0.208 20 30 GBEDRM CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(OC)cn1 ZINC000348353464 530073997 /nfs/dbraw/zinc/07/39/97/530073997.db2.gz RGTQXTNVXHBFBB-UHFFFAOYSA-N -1 0 376.460 -0.098 20 30 GBEDRM CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(OC)ncn1 ZINC000348354741 530074008 /nfs/dbraw/zinc/07/40/08/530074008.db2.gz TUVSGJWOFJGOER-UHFFFAOYSA-N -1 0 376.460 -0.098 20 30 GBEDRM COc1cncc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(C#N)C2)n1 ZINC000348356485 530177273 /nfs/dbraw/zinc/17/72/73/530177273.db2.gz VMAGMWIAJWMIMX-UHFFFAOYSA-N -1 0 389.459 -0.208 20 30 GBEDRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCN(CC#N)CC2)o1 ZINC000348357009 530330234 /nfs/dbraw/zinc/33/02/34/530330234.db2.gz WGJFBTHQTXFMAJ-UHFFFAOYSA-N -1 0 391.475 -0.414 20 30 GBEDRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)o1 ZINC000348358028 530073989 /nfs/dbraw/zinc/07/39/89/530073989.db2.gz XKLZJEQNVSZHPW-UHFFFAOYSA-N -1 0 378.432 -0.595 20 30 GBEDRM C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1 ZINC000348365428 530329773 /nfs/dbraw/zinc/32/97/73/530329773.db2.gz BEKNQNPFNUFMHW-MNOVXSKESA-N -1 0 379.464 -0.411 20 30 GBEDRM N#CC[C@@H]1CC[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)C1 ZINC000348372055 530074473 /nfs/dbraw/zinc/07/44/73/530074473.db2.gz DQDKIIGBMCTKJH-QWRGUYRKSA-N -1 0 376.464 -0.062 20 30 GBEDRM N#CC1(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)CCCC1 ZINC000348375717 530330296 /nfs/dbraw/zinc/33/02/96/530330296.db2.gz GGZDGYRZXBZREQ-UHFFFAOYSA-N -1 0 376.464 -0.060 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1cn(C)nn1 ZINC000348377028 530074597 /nfs/dbraw/zinc/07/45/97/530074597.db2.gz HGZIMHLKXTZKRK-MNOVXSKESA-N -1 0 379.464 -0.790 20 30 GBEDRM C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1cn(C)nn1 ZINC000348380638 530074396 /nfs/dbraw/zinc/07/43/96/530074396.db2.gz JPPZVIQCSDLYLI-NEPJUHHUSA-N -1 0 393.491 -0.400 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc(C)n(C)n1 ZINC000348384363 530330781 /nfs/dbraw/zinc/33/07/81/530330781.db2.gz MDZCFNPJIGGXAX-NEPJUHHUSA-N -1 0 393.491 -0.482 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncn(C)n1 ZINC000348389948 530330809 /nfs/dbraw/zinc/33/08/09/530330809.db2.gz RTSURQNZWDMDEB-MNOVXSKESA-N -1 0 379.464 -0.790 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1noc(C)n1 ZINC000348390571 530075168 /nfs/dbraw/zinc/07/51/68/530075168.db2.gz SOFPXSLRQLQBHO-MNOVXSKESA-N -1 0 380.448 -0.227 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1nnn(C)c1C ZINC000348391387 530075424 /nfs/dbraw/zinc/07/54/24/530075424.db2.gz TYGAHMCOBPFKOS-NEPJUHHUSA-N -1 0 393.491 -0.482 20 30 GBEDRM C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncn(C)n1 ZINC000348395091 530075448 /nfs/dbraw/zinc/07/54/48/530075448.db2.gz VYRVEZQQBHAABO-NEPJUHHUSA-N -1 0 393.491 -0.400 20 30 GBEDRM COc1cncc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)n1 ZINC000348443546 530177214 /nfs/dbraw/zinc/17/72/14/530177214.db2.gz CLBZMKPRUSPUOL-UHFFFAOYSA-N -1 0 389.459 -0.208 20 30 GBEDRM COc1cc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)ncn1 ZINC000348446920 530331134 /nfs/dbraw/zinc/33/11/34/530331134.db2.gz DEGLSCHBQRNCRZ-UHFFFAOYSA-N -1 0 389.459 -0.208 20 30 GBEDRM Cc1cnc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC(O)(CC#N)C2)o1 ZINC000348463833 530330952 /nfs/dbraw/zinc/33/09/52/530330952.db2.gz GCWAWXFSWJTXLB-UHFFFAOYSA-N -1 0 392.459 -0.205 20 30 GBEDRM N#C[C@]1(F)CCN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2nc[nH]n2)C1 ZINC000348465893 530331019 /nfs/dbraw/zinc/33/10/19/530331019.db2.gz HFWQXFZJZQEDQR-LLVKDONJSA-N -1 0 380.427 -0.406 20 30 GBEDRM N#C[C@@]1(F)CCN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2nc[nH]n2)C1 ZINC000348465895 530331026 /nfs/dbraw/zinc/33/10/26/530331026.db2.gz HFWQXFZJZQEDQR-NSHDSACASA-N -1 0 380.427 -0.406 20 30 GBEDRM COc1cnc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)nc1 ZINC000348472206 530331180 /nfs/dbraw/zinc/33/11/80/530331180.db2.gz MHPZNOFXOPANHX-UHFFFAOYSA-N -1 0 389.459 -0.208 20 30 GBEDRM CC#CCN(C)S(=O)(=O)CCCCS(=O)(=O)[N-]c1nnn(C)c1C ZINC000348484947 530075814 /nfs/dbraw/zinc/07/58/14/530075814.db2.gz XLGURMDIOTVEAM-UHFFFAOYSA-N -1 0 377.492 -0.070 20 30 GBEDRM Cc1noc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)c1C ZINC000349452029 530332613 /nfs/dbraw/zinc/33/26/13/530332613.db2.gz CNYVTULUTQGCDV-UHFFFAOYSA-N -1 0 392.459 -0.287 20 30 GBEDRM C[C@@H]1[C@H](O)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccc1C#N ZINC000349452430 530332640 /nfs/dbraw/zinc/33/26/40/530332640.db2.gz ARFSQBZLOCXOMD-DGCLKSJQSA-N -1 0 388.471 -0.130 20 30 GBEDRM Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)s1 ZINC000349452769 530076423 /nfs/dbraw/zinc/07/64/23/530076423.db2.gz DQNUBVSTZGWMHU-UHFFFAOYSA-N -1 0 394.500 -0.127 20 30 GBEDRM C[C@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccc1C#N ZINC000349455544 530333066 /nfs/dbraw/zinc/33/30/66/530333066.db2.gz CWVTXAYKXSDHAC-AAEUAGOBSA-N -1 0 388.471 -0.130 20 30 GBEDRM C[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccc1C#N ZINC000349455545 530333124 /nfs/dbraw/zinc/33/31/24/530333124.db2.gz CWVTXAYKXSDHAC-DGCLKSJQSA-N -1 0 388.471 -0.130 20 30 GBEDRM C[C@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccc1C#N ZINC000349455546 530332899 /nfs/dbraw/zinc/33/28/99/530332899.db2.gz CWVTXAYKXSDHAC-WCQYABFASA-N -1 0 388.471 -0.130 20 30 GBEDRM C[C@@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccc1C#N ZINC000349455547 530333055 /nfs/dbraw/zinc/33/30/55/530333055.db2.gz CWVTXAYKXSDHAC-YPMHNXCESA-N -1 0 388.471 -0.130 20 30 GBEDRM Cc1onc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)c1C ZINC000349455689 530076873 /nfs/dbraw/zinc/07/68/73/530076873.db2.gz IFSYSCNBROOGMC-UHFFFAOYSA-N -1 0 392.459 -0.287 20 30 GBEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC(C)(O)C1 ZINC000349457250 530333119 /nfs/dbraw/zinc/33/31/19/530333119.db2.gz FELQVCYTDCVNKR-UHFFFAOYSA-N -1 0 391.475 -0.697 20 30 GBEDRM Cc1csc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)n1 ZINC000349457908 530076798 /nfs/dbraw/zinc/07/67/98/530076798.db2.gz KSPOGMMGWKNKDJ-UHFFFAOYSA-N -1 0 394.500 -0.127 20 30 GBEDRM Cc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)s1 ZINC000349458218 530077009 /nfs/dbraw/zinc/07/70/09/530077009.db2.gz LQBPDGFYKRZVGM-UHFFFAOYSA-N -1 0 395.488 -0.732 20 30 GBEDRM C[C@@H]1[C@H](O)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1nn(C)cc1C#N ZINC000349458513 530332846 /nfs/dbraw/zinc/33/28/46/530332846.db2.gz FGOJIUCAKGDGPR-ZYHUDNBSSA-N -1 0 391.475 -0.792 20 30 GBEDRM Cn1cc(C#N)c([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCCO2)n1 ZINC000349458532 530333127 /nfs/dbraw/zinc/33/31/27/530333127.db2.gz FIQJJSQWKDKGAM-UHFFFAOYSA-N -1 0 377.448 -0.219 20 30 GBEDRM Cc1conc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC(O)(CC#N)C1 ZINC000349459323 530332923 /nfs/dbraw/zinc/33/29/23/530332923.db2.gz NJJHDGCAWGXLSA-UHFFFAOYSA-N -1 0 378.432 -0.595 20 30 GBEDRM Cn1cc(C#N)c([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H](F)[C@@H](F)C2)n1 ZINC000349460188 530332911 /nfs/dbraw/zinc/33/29/11/530332911.db2.gz GHJFCOCTYUBQOL-PHIMTYICSA-N -1 0 397.429 -0.255 20 30 GBEDRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)no1 ZINC000349460375 530077484 /nfs/dbraw/zinc/07/74/84/530077484.db2.gz PBXKOCRDWQKEIL-UHFFFAOYSA-N -1 0 378.432 -0.595 20 30 GBEDRM CCc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)no1 ZINC000349461548 530077476 /nfs/dbraw/zinc/07/74/76/530077476.db2.gz QWHYHJOBFNFSDF-UHFFFAOYSA-N -1 0 393.447 -0.946 20 30 GBEDRM CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc2ccccn2n1 ZINC000349462018 530168902 /nfs/dbraw/zinc/16/89/02/530168902.db2.gz RXJWYKHKODWASU-UHFFFAOYSA-N -1 0 385.471 0.146 20 30 GBEDRM CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(N(C)C)ncn1 ZINC000349462157 530077510 /nfs/dbraw/zinc/07/75/10/530077510.db2.gz SGAQEIVBEMMROH-UHFFFAOYSA-N -1 0 389.503 -0.041 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H](O)C[C@@H]2C)c1C#N ZINC000349462242 530333025 /nfs/dbraw/zinc/33/30/25/530333025.db2.gz LDXCHNWUUFZQGA-GXSJLCMTSA-N -1 0 391.475 -0.494 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H](O)C[C@H]2C)c1C#N ZINC000349462244 530332921 /nfs/dbraw/zinc/33/29/21/530332921.db2.gz LDXCHNWUUFZQGA-KOLCDFICSA-N -1 0 391.475 -0.494 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H](O)C[C@H]2C)c1C#N ZINC000349462245 530332981 /nfs/dbraw/zinc/33/29/81/530332981.db2.gz LDXCHNWUUFZQGA-MWLCHTKSSA-N -1 0 391.475 -0.494 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H](O)C[C@@H]2C)c1C#N ZINC000349462248 530333099 /nfs/dbraw/zinc/33/30/99/530333099.db2.gz LDXCHNWUUFZQGA-ONGXEEELSA-N -1 0 391.475 -0.494 20 30 GBEDRM N#CCC1(O)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nccs2)C1 ZINC000349462751 530077876 /nfs/dbraw/zinc/07/78/76/530077876.db2.gz UBKJHHABFSULNL-UHFFFAOYSA-N -1 0 380.473 -0.435 20 30 GBEDRM Cc1ccnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(O)(CC#N)C2)n1 ZINC000349462767 530077907 /nfs/dbraw/zinc/07/79/07/530077907.db2.gz UCVHLSMWSIQPOB-UHFFFAOYSA-N -1 0 389.459 -0.793 20 30 GBEDRM COC[C@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1n[nH]c(C)c1C#N ZINC000349463377 530332917 /nfs/dbraw/zinc/33/29/17/530332917.db2.gz MMFCNZOBJDMLIR-LLVKDONJSA-N -1 0 391.475 -0.228 20 30 GBEDRM COC[C@@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1n[nH]c(C)c1C#N ZINC000349463379 530333109 /nfs/dbraw/zinc/33/31/09/530333109.db2.gz MMFCNZOBJDMLIR-NSHDSACASA-N -1 0 391.475 -0.228 20 30 GBEDRM CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncncc1OC ZINC000349463384 530077872 /nfs/dbraw/zinc/07/78/72/530077872.db2.gz UUNYTQXEKSPDIJ-UHFFFAOYSA-N -1 0 376.460 -0.098 20 30 GBEDRM CN1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncccc2C#N)CC1=O ZINC000349464417 530332668 /nfs/dbraw/zinc/33/26/68/530332668.db2.gz NSEKHUATTQRHOR-UHFFFAOYSA-N -1 0 387.443 -0.854 20 30 GBEDRM CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1n[nH]c(SC)n1 ZINC000349464829 530078228 /nfs/dbraw/zinc/07/82/28/530078228.db2.gz WXMQXYFVBYMXGR-UHFFFAOYSA-N -1 0 381.505 -0.057 20 30 GBEDRM CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(OC)nn1 ZINC000349465016 530078250 /nfs/dbraw/zinc/07/82/50/530078250.db2.gz XPUWEOYCUQRRSL-UHFFFAOYSA-N -1 0 376.460 -0.098 20 30 GBEDRM CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C(N)=O)s1 ZINC000349466578 530078789 /nfs/dbraw/zinc/07/87/89/530078789.db2.gz ZZKCXZGYOYDVIY-UHFFFAOYSA-N -1 0 394.500 -0.341 20 30 GBEDRM C[C@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1nn(C)cc1C#N ZINC000349466753 530337772 /nfs/dbraw/zinc/33/77/72/530337772.db2.gz REXMYENTWPYQSJ-CMPLNLGQSA-N -1 0 391.475 -0.792 20 30 GBEDRM C[C@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1nn(C)cc1C#N ZINC000349466754 530337978 /nfs/dbraw/zinc/33/79/78/530337978.db2.gz REXMYENTWPYQSJ-JQWIXIFHSA-N -1 0 391.475 -0.792 20 30 GBEDRM C[C@@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1nn(C)cc1C#N ZINC000349466755 530337890 /nfs/dbraw/zinc/33/78/90/530337890.db2.gz REXMYENTWPYQSJ-PWSUYJOCSA-N -1 0 391.475 -0.792 20 30 GBEDRM C[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1nn(C)cc1C#N ZINC000349466756 530337821 /nfs/dbraw/zinc/33/78/21/530337821.db2.gz REXMYENTWPYQSJ-ZYHUDNBSSA-N -1 0 391.475 -0.792 20 30 GBEDRM CCc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(C#N)C2)n[nH]1 ZINC000349469521 530079456 /nfs/dbraw/zinc/07/94/56/530079456.db2.gz AYYMRQXEIXLRKW-UHFFFAOYSA-N -1 0 376.464 -0.326 20 30 GBEDRM COC[C@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1nn(C)cc1C#N ZINC000349469605 530338510 /nfs/dbraw/zinc/33/85/10/530338510.db2.gz WXGLKXQMMGOVAP-GFCCVEGCSA-N -1 0 391.475 -0.526 20 30 GBEDRM COC[C@@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1nn(C)cc1C#N ZINC000349469606 530338493 /nfs/dbraw/zinc/33/84/93/530338493.db2.gz WXGLKXQMMGOVAP-LBPRGKRZSA-N -1 0 391.475 -0.526 20 30 GBEDRM Cn1cc(C#N)c([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(C#N)C2)n1 ZINC000349469800 530338482 /nfs/dbraw/zinc/33/84/82/530338482.db2.gz BPGBUVJBJWDHPF-UHFFFAOYSA-N -1 0 386.459 -0.401 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(O)C2)c1C#N ZINC000349470132 530337994 /nfs/dbraw/zinc/33/79/94/530337994.db2.gz XUBCCUUCHMPQRN-UHFFFAOYSA-N -1 0 377.448 -0.882 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](O)[C@H]2C)c1C#N ZINC000349470497 530338610 /nfs/dbraw/zinc/33/86/10/530338610.db2.gz SSGNZJYOZADIRH-ZYHUDNBSSA-N -1 0 391.475 -0.494 20 30 GBEDRM C[C@H](CO)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccc1C#N ZINC000349471062 530337722 /nfs/dbraw/zinc/33/77/22/530337722.db2.gz DEPAIVHIUOUYMI-LLVKDONJSA-N -1 0 376.460 -0.273 20 30 GBEDRM C[C@@H](CO)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccc1C#N ZINC000349471067 530338703 /nfs/dbraw/zinc/33/87/03/530338703.db2.gz DEPAIVHIUOUYMI-NSHDSACASA-N -1 0 376.460 -0.273 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(C#N)C2)c1C#N ZINC000349472205 530079795 /nfs/dbraw/zinc/07/97/95/530079795.db2.gz FSTADBCMFADFLJ-UHFFFAOYSA-N -1 0 386.459 -0.103 20 30 GBEDRM CCN(C1COC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1n[nH]c(C)c1C#N ZINC000349472321 530337782 /nfs/dbraw/zinc/33/77/82/530337782.db2.gz FXSOJSIFLMPLQX-UHFFFAOYSA-N -1 0 391.475 -0.228 20 30 GBEDRM CCN(C1COC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1nn(C)cc1C#N ZINC000349472498 530338822 /nfs/dbraw/zinc/33/88/22/530338822.db2.gz GHXHPFGWOBFRQK-UHFFFAOYSA-N -1 0 391.475 -0.526 20 30 GBEDRM CCc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(C#N)C2)no1 ZINC000349472509 530079900 /nfs/dbraw/zinc/07/99/00/530079900.db2.gz GIWRBSLVHARYAT-UHFFFAOYSA-N -1 0 377.448 -0.061 20 30 GBEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)CCCS(=O)(=O)N1CCCO1 ZINC000349472591 530337801 /nfs/dbraw/zinc/33/78/01/530337801.db2.gz WTBAFOLNAMKXRT-UHFFFAOYSA-N -1 0 377.448 -0.126 20 30 GBEDRM CCc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(C#N)C2)o1 ZINC000349473529 530079831 /nfs/dbraw/zinc/07/98/31/530079831.db2.gz IJFSDXOCLURQHP-UHFFFAOYSA-N -1 0 377.448 -0.061 20 30 GBEDRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(C#N)C2)nn1C ZINC000349473898 530339019 /nfs/dbraw/zinc/33/90/19/530339019.db2.gz IRWIWWOPSAQISZ-UHFFFAOYSA-N -1 0 376.464 -0.569 20 30 GBEDRM Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(C#N)C2)nnn1C ZINC000349475078 530333794 /nfs/dbraw/zinc/33/37/94/530333794.db2.gz LACKIIHVBNLODU-UHFFFAOYSA-N -1 0 376.464 -0.569 20 30 GBEDRM N#CCN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H]1CC[C@H]1O ZINC000349475658 530333823 /nfs/dbraw/zinc/33/38/23/530333823.db2.gz XZFCSBDUTKESQS-VXGBXAGGSA-N -1 0 384.439 -0.474 20 30 GBEDRM CC1(CO)CN(S(=O)(=O)CCCS(=O)(=O)Nc2cccc(C#N)n2)C1 ZINC000349475844 530333613 /nfs/dbraw/zinc/33/36/13/530333613.db2.gz GGOPNHJBKOFQLP-UHFFFAOYSA-N -1 0 388.471 -0.271 20 30 GBEDRM CNC(=O)CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NC1(C#N)CC1 ZINC000349475937 530333747 /nfs/dbraw/zinc/33/37/47/530333747.db2.gz YUPWSSKBRFVISK-UHFFFAOYSA-N -1 0 386.455 -0.612 20 30 GBEDRM CC1(CO)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncccc2C#N)C1 ZINC000349476545 530333269 /nfs/dbraw/zinc/33/32/69/530333269.db2.gz HGMWJKFQILSYGW-UHFFFAOYSA-N -1 0 388.471 -0.271 20 30 GBEDRM CN(C1(CO)CC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1nn(C)cc1C#N ZINC000349477390 530333619 /nfs/dbraw/zinc/33/36/19/530333619.db2.gz IRLQNZCUZFZLBS-UHFFFAOYSA-N -1 0 391.475 -0.790 20 30 GBEDRM C[C@@H](CO)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nn(C)cc1C#N ZINC000349477768 530333815 /nfs/dbraw/zinc/33/38/15/530333815.db2.gz QUNNBLSVQYORNA-JTQLQIEISA-N -1 0 379.464 -0.934 20 30 GBEDRM C[C@H](CO)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nn(C)cc1C#N ZINC000349477769 530333645 /nfs/dbraw/zinc/33/36/45/530333645.db2.gz QUNNBLSVQYORNA-SNVBAGLBSA-N -1 0 379.464 -0.934 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)CO)c1C#N ZINC000349478464 530333467 /nfs/dbraw/zinc/33/34/67/530333467.db2.gz SFDHFZXRBUSBID-SECBINFHSA-N -1 0 379.464 -0.636 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)CO)c1C#N ZINC000349478466 530333827 /nfs/dbraw/zinc/33/38/27/530333827.db2.gz SFDHFZXRBUSBID-VIFPVBQESA-N -1 0 379.464 -0.636 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C2(CO)CC2)c1C#N ZINC000349478640 530333631 /nfs/dbraw/zinc/33/36/31/530333631.db2.gz KLDLGYKOLLPXBC-UHFFFAOYSA-N -1 0 391.475 -0.492 20 30 GBEDRM CSc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(C#N)C2)n[nH]1 ZINC000349478860 530080585 /nfs/dbraw/zinc/08/05/85/530080585.db2.gz STALWBHEKMAGOE-UHFFFAOYSA-N -1 0 394.504 -0.166 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C[C@@H](C)O)c1C#N ZINC000349478990 530334088 /nfs/dbraw/zinc/33/40/88/530334088.db2.gz LDTIEZKPNFRKNU-SECBINFHSA-N -1 0 379.464 -0.636 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C[C@H](C)O)c1C#N ZINC000349478991 530333980 /nfs/dbraw/zinc/33/39/80/530333980.db2.gz LDTIEZKPNFRKNU-VIFPVBQESA-N -1 0 379.464 -0.636 20 30 GBEDRM COc1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(C#N)C2)nn1 ZINC000349479682 530080776 /nfs/dbraw/zinc/08/07/76/530080776.db2.gz VEMREIGSVHKPTG-UHFFFAOYSA-N -1 0 389.459 -0.208 20 30 GBEDRM Cn1cnc([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N2CC(C#N)C2)n1 ZINC000349481839 530334066 /nfs/dbraw/zinc/33/40/66/530334066.db2.gz OTWBEORPAOFUSF-UHFFFAOYSA-N -1 0 382.427 -0.240 20 30 GBEDRM Cn1cc(C#N)c([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(CO)C2)n1 ZINC000349483245 530333737 /nfs/dbraw/zinc/33/37/37/530333737.db2.gz QGGLZAKDWALOGR-UHFFFAOYSA-N -1 0 391.475 -0.932 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(CO)C2)c1C#N ZINC000349485003 530334429 /nfs/dbraw/zinc/33/44/29/530334429.db2.gz SYIFKBYLNVGYRP-UHFFFAOYSA-N -1 0 391.475 -0.634 20 30 GBEDRM Cn1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@](F)(C#N)C2)n1 ZINC000349485698 530334417 /nfs/dbraw/zinc/33/44/17/530334417.db2.gz ATIUXGLWKUTYQK-GFCCVEGCSA-N -1 0 379.439 -0.181 20 30 GBEDRM Cn1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@](F)(C#N)C2)n1 ZINC000349485699 530334398 /nfs/dbraw/zinc/33/43/98/530334398.db2.gz ATIUXGLWKUTYQK-LBPRGKRZSA-N -1 0 379.439 -0.181 20 30 GBEDRM CN(CC(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncn(C)n1 ZINC000349486123 530081641 /nfs/dbraw/zinc/08/16/41/530081641.db2.gz AHPWYCLIXQQAIC-UHFFFAOYSA-N -1 0 378.480 -0.242 20 30 GBEDRM CN(CC(C)(C)C#N)S(=O)(=O)CCCS(=O)(=O)[N-]c1cn(C)nn1 ZINC000349486998 530081534 /nfs/dbraw/zinc/08/15/34/530081534.db2.gz BKPZZQMHIAEJER-UHFFFAOYSA-N -1 0 378.480 -0.242 20 30 GBEDRM C[C@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nn(C)cc1C#N ZINC000349487316 530334528 /nfs/dbraw/zinc/33/45/28/530334528.db2.gz XGINYOLWRHEBPR-JTQLQIEISA-N -1 0 379.464 -0.934 20 30 GBEDRM C[C@@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nn(C)cc1C#N ZINC000349487318 530334533 /nfs/dbraw/zinc/33/45/33/530334533.db2.gz XGINYOLWRHEBPR-SNVBAGLBSA-N -1 0 379.464 -0.934 20 30 GBEDRM CN(C1(CO)CC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccc1C#N ZINC000349488058 530334414 /nfs/dbraw/zinc/33/44/14/530334414.db2.gz YKKLACYZJDHSTF-UHFFFAOYSA-N -1 0 388.471 -0.128 20 30 GBEDRM C[C@@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccc1C#N ZINC000349488432 530334497 /nfs/dbraw/zinc/33/44/97/530334497.db2.gz ZYLKNNGDGWKGKX-LLVKDONJSA-N -1 0 376.460 -0.273 20 30 GBEDRM C[C@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccc1C#N ZINC000349488433 530334390 /nfs/dbraw/zinc/33/43/90/530334390.db2.gz ZYLKNNGDGWKGKX-NSHDSACASA-N -1 0 376.460 -0.273 20 30 GBEDRM N#C[C@@]1(F)CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nncs2)C1 ZINC000349490888 530334868 /nfs/dbraw/zinc/33/48/68/530334868.db2.gz HBPFDFGZTXXDIH-JTQLQIEISA-N -1 0 383.452 -0.063 20 30 GBEDRM N#C[C@]1(F)CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nncs2)C1 ZINC000349490890 530334727 /nfs/dbraw/zinc/33/47/27/530334727.db2.gz HBPFDFGZTXXDIH-SNVBAGLBSA-N -1 0 383.452 -0.063 20 30 GBEDRM CC(C)n1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)n1 ZINC000349493270 530334773 /nfs/dbraw/zinc/33/47/73/530334773.db2.gz AGOIILKQYWGQQD-UHFFFAOYSA-N -1 0 376.464 -0.224 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(N(C)C)C2)c1C#N ZINC000349494497 530334858 /nfs/dbraw/zinc/33/48/58/530334858.db2.gz CSULYRSGPDQBHK-UHFFFAOYSA-N -1 0 390.491 -0.703 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)CC(C)(C)O)c1C#N ZINC000349494508 530334322 /nfs/dbraw/zinc/33/43/22/530334322.db2.gz CVBUKAHANOOPAN-UHFFFAOYSA-N -1 0 393.491 -0.246 20 30 GBEDRM N#CC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nc3ccccn3n2)C1 ZINC000349494523 530170346 /nfs/dbraw/zinc/17/03/46/530170346.db2.gz DBHMBSIWCGTQHZ-UHFFFAOYSA-N -1 0 384.443 -0.354 20 30 GBEDRM N#CC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nc3n(n2)CCCC3)C1 ZINC000349495801 530335050 /nfs/dbraw/zinc/33/50/50/530335050.db2.gz FVEZZCOEFDJEKW-UHFFFAOYSA-N -1 0 388.475 -0.469 20 30 GBEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC(C#N)C1 ZINC000349495911 530335261 /nfs/dbraw/zinc/33/52/61/530335261.db2.gz GINQJIKLZBYBNM-UHFFFAOYSA-N -1 0 386.459 -0.308 20 30 GBEDRM CO[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2n[nH]c(C)c2C#N)C1 ZINC000349496204 530335062 /nfs/dbraw/zinc/33/50/62/530335062.db2.gz AUTSFQQMNWLUQC-NSHDSACASA-N -1 0 391.475 -0.228 20 30 GBEDRM CSc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)n[nH]1 ZINC000349496900 530335538 /nfs/dbraw/zinc/33/55/38/530335538.db2.gz HTWMEOKGQPVFFW-UHFFFAOYSA-N -1 0 380.477 -0.556 20 30 GBEDRM N#CC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2noc(C3CC3)n2)C1 ZINC000349497606 530335643 /nfs/dbraw/zinc/33/56/43/530335643.db2.gz IOFPTPCNIPDTSC-UHFFFAOYSA-N -1 0 375.432 -0.136 20 30 GBEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)CCCS(=O)(=O)N1CCCOC1 ZINC000349498298 530335130 /nfs/dbraw/zinc/33/51/30/530335130.db2.gz CCIOYZMXJVGGQY-UHFFFAOYSA-N -1 0 391.475 -0.084 20 30 GBEDRM CCCc1nnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)o1 ZINC000349498917 530335710 /nfs/dbraw/zinc/33/57/10/530335710.db2.gz JOADPTMYTUPZTB-UHFFFAOYSA-N -1 0 377.448 -0.061 20 30 GBEDRM N#CC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nnc(C3CC3)o2)C1 ZINC000349499707 530335611 /nfs/dbraw/zinc/33/56/11/530335611.db2.gz KHCRBUYPYWVMBR-UHFFFAOYSA-N -1 0 375.432 -0.136 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C2CC(O)C2)c1C#N ZINC000349501597 530335202 /nfs/dbraw/zinc/33/52/02/530335202.db2.gz QIVOQSKPWSVCCP-UHFFFAOYSA-N -1 0 391.475 -0.494 20 30 GBEDRM N#Cc1cccnc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](CO)C1 ZINC000349502102 530336008 /nfs/dbraw/zinc/33/60/08/530336008.db2.gz DKYNRMMKWBTPCZ-GFCCVEGCSA-N -1 0 388.471 -0.271 20 30 GBEDRM N#Cc1cccnc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@H](CO)C1 ZINC000349502103 530336025 /nfs/dbraw/zinc/33/60/25/530336025.db2.gz DKYNRMMKWBTPCZ-LBPRGKRZSA-N -1 0 388.471 -0.271 20 30 GBEDRM CN(C)c1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)ncn1 ZINC000349502332 530336050 /nfs/dbraw/zinc/33/60/50/530336050.db2.gz NTNYCRIWSJPJBC-UHFFFAOYSA-N -1 0 388.475 -0.540 20 30 GBEDRM COc1cc(C)nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)n1 ZINC000349502795 530335884 /nfs/dbraw/zinc/33/58/84/530335884.db2.gz OZXRPWSJFUQACZ-UHFFFAOYSA-N -1 0 389.459 -0.289 20 30 GBEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC(OC)C1 ZINC000349502807 530335159 /nfs/dbraw/zinc/33/51/59/530335159.db2.gz PAVQIGIDGSPXLR-UHFFFAOYSA-N -1 0 391.475 -0.433 20 30 GBEDRM Cn1cc(C#N)c([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCOC2)n1 ZINC000349503273 530335191 /nfs/dbraw/zinc/33/51/91/530335191.db2.gz HTGDAYJKHLRBKM-UHFFFAOYSA-N -1 0 377.448 -0.567 20 30 GBEDRM CN(CC(C)(C)O)S(=O)(=O)CCCS(=O)(=O)[N-]c1nn(C)cc1C#N ZINC000349503644 530335179 /nfs/dbraw/zinc/33/51/79/530335179.db2.gz PLCGJQWRPWNNSS-UHFFFAOYSA-N -1 0 393.491 -0.544 20 30 GBEDRM Cn1cc(C#N)c([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](F)C2)n1 ZINC000349503820 530336019 /nfs/dbraw/zinc/33/60/19/530336019.db2.gz LMJIUWJXKPBAFJ-LLVKDONJSA-N -1 0 379.439 -0.203 20 30 GBEDRM Cn1cc(C#N)c([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](F)C2)n1 ZINC000349503821 530336056 /nfs/dbraw/zinc/33/60/56/530336056.db2.gz LMJIUWJXKPBAFJ-NSHDSACASA-N -1 0 379.439 -0.203 20 30 GBEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)CCCS(=O)(=O)N1CCOC1 ZINC000349504537 530335077 /nfs/dbraw/zinc/33/50/77/530335077.db2.gz ISAWJNYSKUKIBM-UHFFFAOYSA-N -1 0 377.448 -0.474 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCOC2)c1C#N ZINC000349504640 530335204 /nfs/dbraw/zinc/33/52/04/530335204.db2.gz JFUBKRXQPYLFMB-UHFFFAOYSA-N -1 0 377.448 -0.269 20 30 GBEDRM CN(C)C1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncccc2C#N)C1 ZINC000349504686 530335248 /nfs/dbraw/zinc/33/52/48/530335248.db2.gz QUSNVUDTKKFDTR-UHFFFAOYSA-N -1 0 387.487 -0.339 20 30 GBEDRM CN(C1CC(O)C1)S(=O)(=O)CCCS(=O)(=O)[N-]c1nn(C)cc1C#N ZINC000349505924 530336287 /nfs/dbraw/zinc/33/62/87/530336287.db2.gz UIWIHPGZFOXSRM-UHFFFAOYSA-N -1 0 391.475 -0.792 20 30 GBEDRM CC(C)(C)n1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)n1 ZINC000349506379 530336347 /nfs/dbraw/zinc/33/63/47/530336347.db2.gz TWTRTIFFNCLAQD-UHFFFAOYSA-N -1 0 390.491 -0.050 20 30 GBEDRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@](F)(C#N)C2)no1 ZINC000349506705 530336440 /nfs/dbraw/zinc/33/64/40/530336440.db2.gz UVXVDCAXYDEHNC-LLVKDONJSA-N -1 0 381.411 -0.223 20 30 GBEDRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@](F)(C#N)C2)no1 ZINC000349506706 530336243 /nfs/dbraw/zinc/33/62/43/530336243.db2.gz UVXVDCAXYDEHNC-NSHDSACASA-N -1 0 381.411 -0.223 20 30 GBEDRM N#CC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncc(C(N)=O)s2)C1 ZINC000349506834 530336317 /nfs/dbraw/zinc/33/63/17/530336317.db2.gz UIDOFWILMFMMDR-UHFFFAOYSA-N -1 0 393.472 -0.841 20 30 GBEDRM CO[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nn(C)cc2C#N)C1 ZINC000349508400 530336765 /nfs/dbraw/zinc/33/67/65/530336765.db2.gz MPCCDNFPLJHXMK-LBPRGKRZSA-N -1 0 391.475 -0.526 20 30 GBEDRM N#CC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cc3ccccn3n2)C1 ZINC000349509862 530170203 /nfs/dbraw/zinc/17/02/03/530170203.db2.gz ZKJMQQCNXKPTBA-UHFFFAOYSA-N -1 0 383.455 0.251 20 30 GBEDRM CN(C1CC(O)C1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccc1C#N ZINC000349510951 530336198 /nfs/dbraw/zinc/33/61/98/530336198.db2.gz ZIDPRKYNQQXUJM-UHFFFAOYSA-N -1 0 388.471 -0.130 20 30 GBEDRM COC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nn(C)cc2C#N)C1 ZINC000349511633 530336362 /nfs/dbraw/zinc/33/63/62/530336362.db2.gz SUSGTZHXWHQDAD-UHFFFAOYSA-N -1 0 377.448 -0.916 20 30 GBEDRM N#Cc1c([N-]S(=O)(=O)CCCS(=O)(=O)N2CCOC2)n[nH]c1C1CC1 ZINC000349511789 530336370 /nfs/dbraw/zinc/33/63/70/530336370.db2.gz QZKSHUBTMUAJLA-UHFFFAOYSA-N -1 0 389.459 -0.090 20 30 GBEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC(CO)C1 ZINC000349511840 530336617 /nfs/dbraw/zinc/33/66/17/530336617.db2.gz RHGJPBPEPYXQEG-UHFFFAOYSA-N -1 0 391.475 -0.840 20 30 GBEDRM COC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2n[nH]c(C)c2C#N)C1 ZINC000349511913 530336792 /nfs/dbraw/zinc/33/67/92/530336792.db2.gz UGQSEAPLOBPGBC-UHFFFAOYSA-N -1 0 377.448 -0.618 20 30 GBEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](O)C1 ZINC000349514642 530337115 /nfs/dbraw/zinc/33/71/15/530337115.db2.gz AAGHNANIIYIRAE-GFCCVEGCSA-N -1 0 391.475 -0.697 20 30 GBEDRM Cc1conc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CCN(CC#N)CC1 ZINC000349514733 530337253 /nfs/dbraw/zinc/33/72/53/530337253.db2.gz AOHHFHSIGRNOFR-UHFFFAOYSA-N -1 0 391.475 -0.414 20 30 GBEDRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C[C@@H](C)C#N)nn1C ZINC000349515286 530086522 /nfs/dbraw/zinc/08/65/22/530086522.db2.gz GUVLWSIZLCSLQH-JTQLQIEISA-N -1 0 378.480 -0.323 20 30 GBEDRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C[C@H](C)C#N)nn1C ZINC000349515288 530086691 /nfs/dbraw/zinc/08/66/91/530086691.db2.gz GUVLWSIZLCSLQH-SNVBAGLBSA-N -1 0 378.480 -0.323 20 30 GBEDRM CN(CC(F)F)S(=O)(=O)CCCS(=O)(=O)[N-]c1nn(C)cc1C#N ZINC000349515730 530337208 /nfs/dbraw/zinc/33/72/08/530337208.db2.gz IEJKTXMQCMQFDH-UHFFFAOYSA-N -1 0 385.418 -0.050 20 30 GBEDRM N#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nncs2)CC1 ZINC000349515987 530086585 /nfs/dbraw/zinc/08/65/85/530086585.db2.gz CCVCJDUQENQOMW-UHFFFAOYSA-N -1 0 394.504 -0.859 20 30 GBEDRM N#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)CC1 ZINC000349516451 530086924 /nfs/dbraw/zinc/08/69/24/530086924.db2.gz DBPHQJMBXNGVTP-UHFFFAOYSA-N -1 0 377.448 -0.723 20 30 GBEDRM C[C@H](CC#N)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nn(C)cc1C#N ZINC000349516504 530087086 /nfs/dbraw/zinc/08/70/86/530087086.db2.gz DGABOXVNHITQJN-LLVKDONJSA-N -1 0 388.475 -0.013 20 30 GBEDRM C[C@@H](CC#N)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nn(C)cc1C#N ZINC000349516506 530087117 /nfs/dbraw/zinc/08/71/17/530087117.db2.gz DGABOXVNHITQJN-NSHDSACASA-N -1 0 388.475 -0.013 20 30 GBEDRM N#Cc1cccnc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H]1CO ZINC000349516587 530337102 /nfs/dbraw/zinc/33/71/02/530337102.db2.gz JRAIRGWSWXEOMK-CYBMUJFWSA-N -1 0 388.471 -0.128 20 30 GBEDRM N#Cc1cccnc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CCC[C@H]1CO ZINC000349516588 530336996 /nfs/dbraw/zinc/33/69/96/530336996.db2.gz JRAIRGWSWXEOMK-ZDUSSCGKSA-N -1 0 388.471 -0.128 20 30 GBEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@H](O)C1 ZINC000349517193 530337222 /nfs/dbraw/zinc/33/72/22/530337222.db2.gz AAGHNANIIYIRAE-LBPRGKRZSA-N -1 0 391.475 -0.697 20 30 GBEDRM N#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncccn2)CC1 ZINC000349517694 530087005 /nfs/dbraw/zinc/08/70/05/530087005.db2.gz GFCONTSGXHYGNB-UHFFFAOYSA-N -1 0 388.475 -0.921 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](CO)C2)c1C#N ZINC000349519125 530337575 /nfs/dbraw/zinc/33/75/75/530337575.db2.gz HYYVDUDLYWASJR-LLVKDONJSA-N -1 0 391.475 -0.634 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](CO)C2)c1C#N ZINC000349519126 530337507 /nfs/dbraw/zinc/33/75/07/530337507.db2.gz HYYVDUDLYWASJR-NSHDSACASA-N -1 0 391.475 -0.634 20 30 GBEDRM CCOC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nn(C)cc2C#N)C1 ZINC000349519169 530337041 /nfs/dbraw/zinc/33/70/41/530337041.db2.gz IGBQQQDUGLHTTO-UHFFFAOYSA-N -1 0 391.475 -0.526 20 30 GBEDRM CN([C@@H]1CCOC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1nn(C)cc1C#N ZINC000349519578 530337399 /nfs/dbraw/zinc/33/73/99/530337399.db2.gz ISXPZGNLQJJJHM-GFCCVEGCSA-N -1 0 391.475 -0.526 20 30 GBEDRM CN([C@H]1CCOC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1nn(C)cc1C#N ZINC000349519582 530337422 /nfs/dbraw/zinc/33/74/22/530337422.db2.gz ISXPZGNLQJJJHM-LBPRGKRZSA-N -1 0 391.475 -0.526 20 30 GBEDRM Cn1cc(C#N)c([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[C@@H]2CO)n1 ZINC000349519716 530337111 /nfs/dbraw/zinc/33/71/11/530337111.db2.gz PSFYMUDGBZONAJ-GFCCVEGCSA-N -1 0 391.475 -0.790 20 30 GBEDRM Cn1cc(C#N)c([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[C@H]2CO)n1 ZINC000349519717 530337062 /nfs/dbraw/zinc/33/70/62/530337062.db2.gz PSFYMUDGBZONAJ-LBPRGKRZSA-N -1 0 391.475 -0.790 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[C@@H]2CO)c1C#N ZINC000349520352 530337256 /nfs/dbraw/zinc/33/72/56/530337256.db2.gz RBPFNPOGLZWKMA-LLVKDONJSA-N -1 0 391.475 -0.492 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[C@H]2CO)c1C#N ZINC000349520353 530337241 /nfs/dbraw/zinc/33/72/41/530337241.db2.gz RBPFNPOGLZWKMA-NSHDSACASA-N -1 0 391.475 -0.492 20 30 GBEDRM Cn1cc(C#N)c([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCOCC2)n1 ZINC000349520656 530337396 /nfs/dbraw/zinc/33/73/96/530337396.db2.gz KFVKIYBPIGFJFB-UHFFFAOYSA-N -1 0 391.475 -0.524 20 30 GBEDRM C[C@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nn(C)cc1C#N ZINC000349521543 530087284 /nfs/dbraw/zinc/08/72/84/530087284.db2.gz TZYZXUSWCYXWDP-LLVKDONJSA-N -1 0 388.475 -0.155 20 30 GBEDRM C[C@@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nn(C)cc1C#N ZINC000349521544 530087462 /nfs/dbraw/zinc/08/74/62/530087462.db2.gz TZYZXUSWCYXWDP-NSHDSACASA-N -1 0 388.475 -0.155 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCOCC2)c1C#N ZINC000349523482 530337070 /nfs/dbraw/zinc/33/70/70/530337070.db2.gz OICUBRAOUGRLAZ-UHFFFAOYSA-N -1 0 391.475 -0.226 20 30 GBEDRM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nn(C)cc2C#N)C[C@H]1O ZINC000349523783 530337930 /nfs/dbraw/zinc/33/79/30/530337930.db2.gz MLPYONMDFDCZBB-CMPLNLGQSA-N -1 0 391.475 -0.934 20 30 GBEDRM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nn(C)cc2C#N)C[C@@H]1O ZINC000349523785 530337912 /nfs/dbraw/zinc/33/79/12/530337912.db2.gz MLPYONMDFDCZBB-JQWIXIFHSA-N -1 0 391.475 -0.934 20 30 GBEDRM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nn(C)cc2C#N)C[C@@H]1O ZINC000349523788 530337860 /nfs/dbraw/zinc/33/78/60/530337860.db2.gz MLPYONMDFDCZBB-PWSUYJOCSA-N -1 0 391.475 -0.934 20 30 GBEDRM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nn(C)cc2C#N)C[C@H]1O ZINC000349523790 530337827 /nfs/dbraw/zinc/33/78/27/530337827.db2.gz MLPYONMDFDCZBB-ZYHUDNBSSA-N -1 0 391.475 -0.934 20 30 GBEDRM N#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nccs2)CC1 ZINC000349524038 530337832 /nfs/dbraw/zinc/33/78/32/530337832.db2.gz PJURLCFUQLPVCU-UHFFFAOYSA-N -1 0 393.516 -0.254 20 30 GBEDRM CCOC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2n[nH]c(C)c2C#N)C1 ZINC000349524696 530337167 /nfs/dbraw/zinc/33/71/67/530337167.db2.gz NVNAOTRKSDSBQN-UHFFFAOYSA-N -1 0 391.475 -0.228 20 30 GBEDRM Cn1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCN(CC#N)CC2)n1 ZINC000349525924 530339150 /nfs/dbraw/zinc/33/91/50/530339150.db2.gz SGIFEKRFMMQLNS-UHFFFAOYSA-N -1 0 390.491 -0.977 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H]2CCOC2)c1C#N ZINC000349527357 530337828 /nfs/dbraw/zinc/33/78/28/530337828.db2.gz VOHMTHUFTJAWDO-LLVKDONJSA-N -1 0 391.475 -0.228 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@H]2CCOC2)c1C#N ZINC000349527358 530337942 /nfs/dbraw/zinc/33/79/42/530337942.db2.gz VOHMTHUFTJAWDO-NSHDSACASA-N -1 0 391.475 -0.228 20 30 GBEDRM Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCN(CC#N)CC2)no1 ZINC000349528291 530088229 /nfs/dbraw/zinc/08/82/29/530088229.db2.gz XPZCNFQYSVHRHA-UHFFFAOYSA-N -1 0 391.475 -0.414 20 30 GBEDRM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncccc2C#N)C[C@@H]1O ZINC000349528458 530334447 /nfs/dbraw/zinc/33/44/47/530334447.db2.gz TYFHKKQTMZGQAB-AAEUAGOBSA-N -1 0 388.471 -0.273 20 30 GBEDRM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncccc2C#N)C[C@H]1O ZINC000349528460 530334465 /nfs/dbraw/zinc/33/44/65/530334465.db2.gz TYFHKKQTMZGQAB-DGCLKSJQSA-N -1 0 388.471 -0.273 20 30 GBEDRM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncccc2C#N)C[C@H]1O ZINC000349528461 530334310 /nfs/dbraw/zinc/33/43/10/530334310.db2.gz TYFHKKQTMZGQAB-WCQYABFASA-N -1 0 388.471 -0.273 20 30 GBEDRM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncccc2C#N)C[C@@H]1O ZINC000349528464 530334422 /nfs/dbraw/zinc/33/44/22/530334422.db2.gz TYFHKKQTMZGQAB-YPMHNXCESA-N -1 0 388.471 -0.273 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](O)C2)c1C#N ZINC000349529423 530337956 /nfs/dbraw/zinc/33/79/56/530337956.db2.gz ZMJACOJWFKZLBV-SNVBAGLBSA-N -1 0 377.448 -0.882 20 30 GBEDRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)CC#N)nn1C ZINC000349529495 530088615 /nfs/dbraw/zinc/08/86/15/530088615.db2.gz ZWYLVYMQEZEMAM-JTQLQIEISA-N -1 0 378.480 -0.181 20 30 GBEDRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)CC#N)nn1C ZINC000349529496 530088501 /nfs/dbraw/zinc/08/85/01/530088501.db2.gz ZWYLVYMQEZEMAM-SNVBAGLBSA-N -1 0 378.480 -0.181 20 30 GBEDRM COC1(C)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2n[nH]c(C)c2C#N)C1 ZINC000349530128 530335175 /nfs/dbraw/zinc/33/51/75/530335175.db2.gz XLHHHNDTSLVYOC-UHFFFAOYSA-N -1 0 391.475 -0.228 20 30 GBEDRM COC1(C)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nn(C)cc2C#N)C1 ZINC000349530177 530337923 /nfs/dbraw/zinc/33/79/23/530337923.db2.gz XXXWEQAOAPMGIA-UHFFFAOYSA-N -1 0 391.475 -0.526 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H](C)[C@H](O)C2)c1C#N ZINC000349530797 530335876 /nfs/dbraw/zinc/33/58/76/530335876.db2.gz ZEIYLODOPUGGDN-BXKDBHETSA-N -1 0 391.475 -0.636 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H](O)[C@@H](C)C2)c1C#N ZINC000349530798 530336028 /nfs/dbraw/zinc/33/60/28/530336028.db2.gz ZEIYLODOPUGGDN-CABZTGNLSA-N -1 0 391.475 -0.636 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@H](C)[C@H](O)C2)c1C#N ZINC000349530800 530335903 /nfs/dbraw/zinc/33/59/03/530335903.db2.gz ZEIYLODOPUGGDN-JOYOIKCWSA-N -1 0 391.475 -0.636 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2C[C@@H](C)[C@@H](O)C2)c1C#N ZINC000349530801 530336016 /nfs/dbraw/zinc/33/60/16/530336016.db2.gz ZEIYLODOPUGGDN-SKDRFNHKSA-N -1 0 391.475 -0.636 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncccn1 ZINC000349531948 530088988 /nfs/dbraw/zinc/08/89/88/530088988.db2.gz AIRXXQBDUWNUAU-NEPJUHHUSA-N -1 0 376.460 -0.129 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1nncs1 ZINC000349532004 530337228 /nfs/dbraw/zinc/33/72/28/530337228.db2.gz AXTNTZOUBZPMDP-ZJUUUORDSA-N -1 0 382.489 -0.067 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H]2O)c1C#N ZINC000349532604 530333989 /nfs/dbraw/zinc/33/39/89/530333989.db2.gz BGJUEAIAKSHLDJ-GHMZBOCLSA-N -1 0 377.448 -0.836 20 30 GBEDRM Cn1cc(C#N)c([N-]S(=O)(=O)CCCS(=O)(=O)N2CCSCC2)n1 ZINC000349532714 530340190 /nfs/dbraw/zinc/34/01/90/530340190.db2.gz PBDUAYAWWIBDQM-UHFFFAOYSA-N -1 0 393.516 -0.198 20 30 GBEDRM Cn1cc(C#N)c([N-]S(=O)(=O)CCCS(=O)(=O)N2CCN(C)CC2)n1 ZINC000349533315 530340156 /nfs/dbraw/zinc/34/01/56/530340156.db2.gz DAFHNLJLDXMWFO-UHFFFAOYSA-N -1 0 390.491 -0.999 20 30 GBEDRM CN1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncccc2C#N)CC1 ZINC000349534476 530337837 /nfs/dbraw/zinc/33/78/37/530337837.db2.gz GWPUBNNRIPJMMK-UHFFFAOYSA-N -1 0 387.487 -0.338 20 30 GBEDRM CNC(=O)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncccc1C#N ZINC000349534846 530337979 /nfs/dbraw/zinc/33/79/79/530337979.db2.gz UBFGEBOAKFLTGZ-UHFFFAOYSA-N -1 0 389.459 -0.907 20 30 GBEDRM Cn1cc(C#N)c([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCC[C@H]2O)n1 ZINC000349535033 530340583 /nfs/dbraw/zinc/34/05/83/530340583.db2.gz JLUWCSLRJGQKSD-VXGBXAGGSA-N -1 0 391.475 -0.744 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2C[C@@](C)(O)C2)c1C#N ZINC000349535503 530340752 /nfs/dbraw/zinc/34/07/52/530340752.db2.gz AUTHIQYXUDJEEZ-GSJFWJNXSA-N -1 0 391.475 -0.446 20 30 GBEDRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2(C#N)CCCC2)n1 ZINC000349536715 530340574 /nfs/dbraw/zinc/34/05/74/530340574.db2.gz ORIVPFKQNAQGOY-UHFFFAOYSA-N -1 0 390.491 -0.050 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](O)C2)c1C#N ZINC000349537227 530340632 /nfs/dbraw/zinc/34/06/32/530340632.db2.gz ZMJACOJWFKZLBV-JTQLQIEISA-N -1 0 377.448 -0.882 20 30 GBEDRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2(C#N)CCC2)n1 ZINC000349537501 530340706 /nfs/dbraw/zinc/34/07/06/530340706.db2.gz DVTRLQINRSIXPV-UHFFFAOYSA-N -1 0 376.464 -0.440 20 30 GBEDRM Cn1cc(C#N)c([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2C[C@@](C)(O)C2)n1 ZINC000349538259 530340660 /nfs/dbraw/zinc/34/06/60/530340660.db2.gz FWSRAAOJLHKHHO-BJHJDKERSA-N -1 0 391.475 -0.744 20 30 GBEDRM N#Cc1cccnc1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCC[C@H]1O ZINC000349539323 530340464 /nfs/dbraw/zinc/34/04/64/530340464.db2.gz VXOBOJYCLUNLKH-CHWSQXEVSA-N -1 0 388.471 -0.082 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCC[C@H]2O)c1C#N ZINC000349540019 530340797 /nfs/dbraw/zinc/34/07/97/530340797.db2.gz XTFBITREEAZHQL-VXGBXAGGSA-N -1 0 391.475 -0.446 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccn(C)n1 ZINC000349540329 530090577 /nfs/dbraw/zinc/09/05/77/530090577.db2.gz YSYIJQIDWSSOOY-NEPJUHHUSA-N -1 0 378.476 -0.185 20 30 GBEDRM Cn1cc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2(C#N)CCC2)nn1 ZINC000349540699 530341162 /nfs/dbraw/zinc/34/11/62/530341162.db2.gz KJJANGVOSNCLPS-UHFFFAOYSA-N -1 0 376.464 -0.440 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCN(C)CC2)c1C#N ZINC000349541889 530340602 /nfs/dbraw/zinc/34/06/02/530340602.db2.gz WYSMMAMOHXCAAG-UHFFFAOYSA-N -1 0 390.491 -0.701 20 30 GBEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CC[C@H]1O ZINC000349543496 530340442 /nfs/dbraw/zinc/34/04/42/530340442.db2.gz ZBGOUXDHOJVWQA-VXGBXAGGSA-N -1 0 391.475 -0.651 20 30 GBEDRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2(C#N)CCC2)nn1C ZINC000349544141 530091421 /nfs/dbraw/zinc/09/14/21/530091421.db2.gz PNMGGXBXNMKHRF-UHFFFAOYSA-N -1 0 390.491 -0.131 20 30 GBEDRM C[C@@]1(O)C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ncccc2C#N)C1 ZINC000349548386 530341331 /nfs/dbraw/zinc/34/13/31/530341331.db2.gz WZHCTPQTTCFWOC-XBXGTLAGSA-N -1 0 388.471 -0.082 20 30 GBEDRM Cn1cc(C#N)c([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCSC2)n1 ZINC000349550218 530341270 /nfs/dbraw/zinc/34/12/70/530341270.db2.gz IDBFEEQWQJKSNK-LLVKDONJSA-N -1 0 393.516 -0.152 20 30 GBEDRM Cn1cc(C#N)c([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCSC2)n1 ZINC000349550220 530341341 /nfs/dbraw/zinc/34/13/41/530341341.db2.gz IDBFEEQWQJKSNK-NSHDSACASA-N -1 0 393.516 -0.152 20 30 GBEDRM Cn1cc(C#N)c([N-]S(=O)(=O)CCCS(=O)(=O)NCC(C)(C)C#N)n1 ZINC000349550492 530341286 /nfs/dbraw/zinc/34/12/86/530341286.db2.gz ILYZNAIYFIHYMV-UHFFFAOYSA-N -1 0 388.475 -0.107 20 30 GBEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CCOC1 ZINC000349555235 530341737 /nfs/dbraw/zinc/34/17/37/530341737.db2.gz UDHKGTKNZCGRQT-GFCCVEGCSA-N -1 0 391.475 -0.385 20 30 GBEDRM Cn1cc(C#N)c([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCOC2)n1 ZINC000349555655 530341736 /nfs/dbraw/zinc/34/17/36/530341736.db2.gz VBYUNLLMQWAYAY-LLVKDONJSA-N -1 0 377.448 -0.868 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCOC2)c1C#N ZINC000349555966 530341758 /nfs/dbraw/zinc/34/17/58/530341758.db2.gz VTLZOWXBJAZVAE-SNVBAGLBSA-N -1 0 377.448 -0.570 20 30 GBEDRM CNC(=O)[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncccc1C#N ZINC000349556575 530341596 /nfs/dbraw/zinc/34/15/96/530341596.db2.gz WQRNZSPEWQVPMC-SNVBAGLBSA-N -1 0 389.459 -0.861 20 30 GBEDRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NCC(C)(C)C#N)nn1C ZINC000349556602 530341726 /nfs/dbraw/zinc/34/17/26/530341726.db2.gz WWACLEICSDPTGF-UHFFFAOYSA-N -1 0 378.480 -0.276 20 30 GBEDRM N#Cc1cccnc1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000349557975 530341783 /nfs/dbraw/zinc/34/17/83/530341783.db2.gz ANWDTJLQHYDYQT-ITGUQSILSA-N -1 0 386.455 -0.351 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@@H]2CCOC2)c1C#N ZINC000349559962 530341764 /nfs/dbraw/zinc/34/17/64/530341764.db2.gz ANCVXJVSKBPUOD-LLVKDONJSA-N -1 0 391.475 -0.180 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@H]2CCOC2)c1C#N ZINC000349559963 530341773 /nfs/dbraw/zinc/34/17/73/530341773.db2.gz ANCVXJVSKBPUOD-NSHDSACASA-N -1 0 391.475 -0.180 20 30 GBEDRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2(C#N)CC2)nn1C ZINC000349566278 530093738 /nfs/dbraw/zinc/09/37/38/530093738.db2.gz DQIRBRRPLLJHKV-UHFFFAOYSA-N -1 0 376.464 -0.522 20 30 GBEDRM C[C@@H]1C[C@@H]1CNS(=O)(=O)CCCS(=O)(=O)[N-]c1nn(C)cc1C#N ZINC000349567345 530339137 /nfs/dbraw/zinc/33/91/37/530339137.db2.gz NCERPCCKSFUVDR-GHMZBOCLSA-N -1 0 375.476 -0.001 20 30 GBEDRM C[C@@H]1C[C@H]1CNS(=O)(=O)CCCS(=O)(=O)[N-]c1nn(C)cc1C#N ZINC000349567346 530339117 /nfs/dbraw/zinc/33/91/17/530339117.db2.gz NCERPCCKSFUVDR-MNOVXSKESA-N -1 0 375.476 -0.001 20 30 GBEDRM C[C@H]1C[C@H]1CNS(=O)(=O)CCCS(=O)(=O)[N-]c1nn(C)cc1C#N ZINC000349567347 530339145 /nfs/dbraw/zinc/33/91/45/530339145.db2.gz NCERPCCKSFUVDR-QWRGUYRKSA-N -1 0 375.476 -0.001 20 30 GBEDRM C[C@H]1C[C@@H]1CNS(=O)(=O)CCCS(=O)(=O)[N-]c1nn(C)cc1C#N ZINC000349567348 530339111 /nfs/dbraw/zinc/33/91/11/530339111.db2.gz NCERPCCKSFUVDR-WDEREUQCSA-N -1 0 375.476 -0.001 20 30 GBEDRM Cn1cc(C#N)c([N-]S(=O)(=O)CCCS(=O)(=O)NCC2(O)CCC2)n1 ZINC000349568727 530339225 /nfs/dbraw/zinc/33/92/25/530339225.db2.gz PCHCCDXJVGTCIX-UHFFFAOYSA-N -1 0 391.475 -0.742 20 30 GBEDRM C[C@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)[N-]c1nc2ccccn2n1 ZINC000349568963 530169330 /nfs/dbraw/zinc/16/93/30/530169330.db2.gz ARNLPKBEJUYRLV-LLVKDONJSA-N -1 0 386.459 -0.060 20 30 GBEDRM C[C@@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)[N-]c1nc2ccccn2n1 ZINC000349568965 530178732 /nfs/dbraw/zinc/17/87/32/530178732.db2.gz ARNLPKBEJUYRLV-NSHDSACASA-N -1 0 386.459 -0.060 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2(O)CCC2)c1C#N ZINC000349569298 530339471 /nfs/dbraw/zinc/33/94/71/530339471.db2.gz PWGNPPMPRDBZPI-UHFFFAOYSA-N -1 0 391.475 -0.444 20 30 GBEDRM C[C@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)[N-]c1nc2n(n1)CCCC2 ZINC000349569329 530093476 /nfs/dbraw/zinc/09/34/76/530093476.db2.gz BBAYPDINMRNZID-LLVKDONJSA-N -1 0 390.491 -0.175 20 30 GBEDRM C[C@@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)[N-]c1nc2n(n1)CCCC2 ZINC000349569333 530093496 /nfs/dbraw/zinc/09/34/96/530093496.db2.gz BBAYPDINMRNZID-NSHDSACASA-N -1 0 390.491 -0.175 20 30 GBEDRM Cn1cc(C#N)c([N-]S(=O)(=O)CCCS(=O)(=O)NCC2(C#N)CC2)n1 ZINC000349569578 530093729 /nfs/dbraw/zinc/09/37/29/530093729.db2.gz IDWCRVVZPUNNPH-UHFFFAOYSA-N -1 0 386.459 -0.353 20 30 GBEDRM CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc2n(c1C#N)CCS2 ZINC000349571078 530339114 /nfs/dbraw/zinc/33/91/14/530339114.db2.gz DYGXIOXFIQVACO-UHFFFAOYSA-N -1 0 379.489 -0.116 20 30 GBEDRM C[C@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2nn(C)cc2C#N)CO1 ZINC000349573283 530339277 /nfs/dbraw/zinc/33/92/77/530339277.db2.gz KZMKNKLWCDUGQJ-CMPLNLGQSA-N -1 0 391.475 -0.480 20 30 GBEDRM C[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2nn(C)cc2C#N)CO1 ZINC000349573284 530339388 /nfs/dbraw/zinc/33/93/88/530339388.db2.gz KZMKNKLWCDUGQJ-JQWIXIFHSA-N -1 0 391.475 -0.480 20 30 GBEDRM C[C@@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2nn(C)cc2C#N)CO1 ZINC000349573285 530339304 /nfs/dbraw/zinc/33/93/04/530339304.db2.gz KZMKNKLWCDUGQJ-PWSUYJOCSA-N -1 0 391.475 -0.480 20 30 GBEDRM C[C@@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2nn(C)cc2C#N)CO1 ZINC000349573286 530339292 /nfs/dbraw/zinc/33/92/92/530339292.db2.gz KZMKNKLWCDUGQJ-ZYHUDNBSSA-N -1 0 391.475 -0.480 20 30 GBEDRM N#Cc1cccnc1[N-]S(=O)(=O)CCCS(=O)(=O)NCC1(O)CCC1 ZINC000349573802 530338957 /nfs/dbraw/zinc/33/89/57/530338957.db2.gz YDPMXXAGLFLLIV-UHFFFAOYSA-N -1 0 388.471 -0.081 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)NCC(C)(C)O)c1C#N ZINC000349574394 530339548 /nfs/dbraw/zinc/33/95/48/530339548.db2.gz MBLGEYLSTLBOFN-UHFFFAOYSA-N -1 0 379.464 -0.588 20 30 GBEDRM CC(C)(O)CNS(=O)(=O)CCCS(=O)(=O)[N-]c1ncccc1C#N ZINC000349575199 530339873 /nfs/dbraw/zinc/33/98/73/530339873.db2.gz OIFKFHOUBWEBMM-UHFFFAOYSA-N -1 0 376.460 -0.225 20 30 GBEDRM Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H](C#N)C2)n1 ZINC000349575911 530339600 /nfs/dbraw/zinc/33/96/00/530339600.db2.gz PVXCTJWPHMBTGP-WDEREUQCSA-N -1 0 376.464 -0.441 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2[C@@H]3COC[C@@H]32)c1C#N ZINC000349576537 530339644 /nfs/dbraw/zinc/33/96/44/530339644.db2.gz PYMJZBCEGZQCDK-GDNZZTSVSA-N -1 0 389.459 -0.714 20 30 GBEDRM Cn1cc(C#N)c([N-]S(=O)(=O)CCCS(=O)(=O)NCC(C)(C)O)n1 ZINC000349577137 530339820 /nfs/dbraw/zinc/33/98/20/530339820.db2.gz UCTHXERVDRJQRU-UHFFFAOYSA-N -1 0 379.464 -0.886 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CO[C@@H](C)C2)c1C#N ZINC000349578553 530339210 /nfs/dbraw/zinc/33/92/10/530339210.db2.gz SORTWPLBVXNRTJ-GXSJLCMTSA-N -1 0 391.475 -0.182 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CO[C@H](C)C2)c1C#N ZINC000349578554 530339788 /nfs/dbraw/zinc/33/97/88/530339788.db2.gz SORTWPLBVXNRTJ-KOLCDFICSA-N -1 0 391.475 -0.182 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CO[C@H](C)C2)c1C#N ZINC000349579060 530339370 /nfs/dbraw/zinc/33/93/70/530339370.db2.gz SORTWPLBVXNRTJ-MWLCHTKSSA-N -1 0 391.475 -0.182 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CO[C@@H](C)C2)c1C#N ZINC000349579061 530339362 /nfs/dbraw/zinc/33/93/62/530339362.db2.gz SORTWPLBVXNRTJ-ONGXEEELSA-N -1 0 391.475 -0.182 20 30 GBEDRM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H](C#N)C2)nn1C ZINC000349579548 530094523 /nfs/dbraw/zinc/09/45/23/530094523.db2.gz YJPXLIITUPPKQA-NWDGAFQWSA-N -1 0 390.491 -0.133 20 30 GBEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]1CCOC1 ZINC000349579789 530339637 /nfs/dbraw/zinc/33/96/37/530339637.db2.gz UDHKGTKNZCGRQT-LBPRGKRZSA-N -1 0 391.475 -0.385 20 30 GBEDRM Cn1cc(C#N)c([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCOC2)n1 ZINC000349580585 530339715 /nfs/dbraw/zinc/33/97/15/530339715.db2.gz VBYUNLLMQWAYAY-NSHDSACASA-N -1 0 377.448 -0.868 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2(C#N)CC2)c1C#N ZINC000349581041 530339709 /nfs/dbraw/zinc/33/97/09/530339709.db2.gz VSYOXIOUXIQPHV-UHFFFAOYSA-N -1 0 386.459 -0.055 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCOC2)c1C#N ZINC000349581054 530339635 /nfs/dbraw/zinc/33/96/35/530339635.db2.gz VTLZOWXBJAZVAE-JTQLQIEISA-N -1 0 377.448 -0.570 20 30 GBEDRM N#Cc1cccnc1[N-]S(=O)(=O)CCCCS(=O)(=O)N1CC[C@@H](O)C1 ZINC000349584701 530339542 /nfs/dbraw/zinc/33/95/42/530339542.db2.gz BJQJVALZDFCVIT-CYBMUJFWSA-N -1 0 388.471 -0.128 20 30 GBEDRM N#Cc1cccnc1[N-]S(=O)(=O)CCCCS(=O)(=O)N1CC[C@H](O)C1 ZINC000349584702 530339295 /nfs/dbraw/zinc/33/92/95/530339295.db2.gz BJQJVALZDFCVIT-ZDUSSCGKSA-N -1 0 388.471 -0.128 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2(C)COC2)c1C#N ZINC000349585899 530339730 /nfs/dbraw/zinc/33/97/30/530339730.db2.gz ACCXQHAFIRWZSB-UHFFFAOYSA-N -1 0 391.475 -0.323 20 30 GBEDRM COc1cncnc1[N-]S(=O)(=O)CCCCS(=O)(=O)N1CC(C#N)C1 ZINC000349588492 530340027 /nfs/dbraw/zinc/34/00/27/530340027.db2.gz AVBZSTAEOUEFJL-UHFFFAOYSA-N -1 0 389.459 -0.208 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC[C@@H](O)C2)c1C#N ZINC000349590559 530339740 /nfs/dbraw/zinc/33/97/40/530339740.db2.gz MDAWWJGHWQXSCJ-LLVKDONJSA-N -1 0 391.475 -0.492 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC[C@H](O)C2)c1C#N ZINC000349590560 530339615 /nfs/dbraw/zinc/33/96/15/530339615.db2.gz MDAWWJGHWQXSCJ-NSHDSACASA-N -1 0 391.475 -0.492 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@@H]2CC[C@H]2O)c1C#N ZINC000349590654 530339969 /nfs/dbraw/zinc/33/99/69/530339969.db2.gz QFXKBSBKFCCKOA-VXGBXAGGSA-N -1 0 391.475 -0.446 20 30 GBEDRM N#CCN1CCN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2ccon2)CC1 ZINC000349593687 530340092 /nfs/dbraw/zinc/34/00/92/530340092.db2.gz SIFSESFLMRHRLA-UHFFFAOYSA-N -1 0 391.475 -0.333 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCCOC2)c1C#N ZINC000349593842 530339617 /nfs/dbraw/zinc/33/96/17/530339617.db2.gz QVSDQSYOXSJOSV-LLVKDONJSA-N -1 0 391.475 -0.180 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCCOC2)c1C#N ZINC000349593843 530340282 /nfs/dbraw/zinc/34/02/82/530340282.db2.gz QVSDQSYOXSJOSV-NSHDSACASA-N -1 0 391.475 -0.180 20 30 GBEDRM Cn1cc(C#N)c([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCCOC2)n1 ZINC000349594507 530339983 /nfs/dbraw/zinc/33/99/83/530339983.db2.gz SHKJATFYCUIPQE-GFCCVEGCSA-N -1 0 391.475 -0.478 20 30 GBEDRM Cn1cc(C#N)c([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCCOC2)n1 ZINC000349594510 530339591 /nfs/dbraw/zinc/33/95/91/530339591.db2.gz SHKJATFYCUIPQE-LBPRGKRZSA-N -1 0 391.475 -0.478 20 30 GBEDRM N#Cc1cccnc1[N-]S(=O)(=O)CCCCS(=O)(=O)N[C@@H]1CC[C@H]1O ZINC000349594769 530339581 /nfs/dbraw/zinc/33/95/81/530339581.db2.gz WCXNKBJWUJVOJS-CHWSQXEVSA-N -1 0 388.471 -0.082 20 30 GBEDRM N#CCCNS(=O)(=O)CCCS(=O)(=O)[N-]c1nc2n(n1)CCCC2 ZINC000349595306 637493953 /nfs/dbraw/zinc/49/39/53/637493953.db2.gz UZEDUOMAMLGHMU-UHFFFAOYSA-N -1 0 376.464 -0.421 20 30 GBEDRM Cn1cc(C#N)c([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)n1 ZINC000349597904 530342153 /nfs/dbraw/zinc/34/21/53/530342153.db2.gz FZSWWXKIVNZRIE-UHFFFAOYSA-N -1 0 386.459 -0.401 20 30 GBEDRM CCc1nnc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)o1 ZINC000349597908 530342121 /nfs/dbraw/zinc/34/21/21/530342121.db2.gz GBMZFQIROWCASN-UHFFFAOYSA-N -1 0 377.448 -0.061 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]2CCCO2)c1C#N ZINC000349598011 530341994 /nfs/dbraw/zinc/34/19/94/530341994.db2.gz DMRXIDHXFQQMPD-LLVKDONJSA-N -1 0 391.475 -0.180 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CCCO2)c1C#N ZINC000349598012 530342146 /nfs/dbraw/zinc/34/21/46/530342146.db2.gz DMRXIDHXFQQMPD-NSHDSACASA-N -1 0 391.475 -0.180 20 30 GBEDRM CSc1nc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)n[nH]1 ZINC000349598931 530341939 /nfs/dbraw/zinc/34/19/39/530341939.db2.gz IKWMAJYVXLSOSK-UHFFFAOYSA-N -1 0 394.504 -0.166 20 30 GBEDRM Cn1cnc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC[C@@](F)(C#N)C2)n1 ZINC000349599704 530342165 /nfs/dbraw/zinc/34/21/65/530342165.db2.gz BJVMWOQOKFNKNO-GFCCVEGCSA-N -1 0 394.454 -0.396 20 30 GBEDRM Cn1cnc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC[C@](F)(C#N)C2)n1 ZINC000349599705 530342184 /nfs/dbraw/zinc/34/21/84/530342184.db2.gz BJVMWOQOKFNKNO-LBPRGKRZSA-N -1 0 394.454 -0.396 20 30 GBEDRM COC1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2n[nH]c(C)c2C#N)C1 ZINC000349599985 530342137 /nfs/dbraw/zinc/34/21/37/530342137.db2.gz KXCDGRDWUQQGKJ-UHFFFAOYSA-N -1 0 391.475 -0.228 20 30 GBEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)CCCCS(=O)(=O)N1CCOC1 ZINC000349600606 530342040 /nfs/dbraw/zinc/34/20/40/530342040.db2.gz MQNXUDVIBKTCKE-UHFFFAOYSA-N -1 0 391.475 -0.084 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC(CO)C2)c1C#N ZINC000349600817 530342183 /nfs/dbraw/zinc/34/21/83/530342183.db2.gz MXEWAOWHYZCUGP-UHFFFAOYSA-N -1 0 391.475 -0.634 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CCOC2)c1C#N ZINC000349600877 530342044 /nfs/dbraw/zinc/34/20/44/530342044.db2.gz NGVOJNVLUFCFQV-UHFFFAOYSA-N -1 0 377.448 -0.269 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)NC2CCOCC2)c1C#N ZINC000349601207 530342558 /nfs/dbraw/zinc/34/25/58/530342558.db2.gz JKBWPSUDOXCUSP-UHFFFAOYSA-N -1 0 391.475 -0.180 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]2CCOC2)c1C#N ZINC000349603163 530342440 /nfs/dbraw/zinc/34/24/40/530342440.db2.gz MUOWYIMYJHQFNY-LLVKDONJSA-N -1 0 391.475 -0.323 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CCOC2)c1C#N ZINC000349603165 530342422 /nfs/dbraw/zinc/34/24/22/530342422.db2.gz MUOWYIMYJHQFNY-NSHDSACASA-N -1 0 391.475 -0.323 20 30 GBEDRM Cc1nc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)nn1C ZINC000349603318 530342493 /nfs/dbraw/zinc/34/24/93/530342493.db2.gz RSMIRAHIDSCDKN-UHFFFAOYSA-N -1 0 376.464 -0.569 20 30 GBEDRM Cc1cc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC(O)(CC#N)C2)no1 ZINC000349603693 530096736 /nfs/dbraw/zinc/09/67/36/530096736.db2.gz CLMOITOZQSUVOI-UHFFFAOYSA-N -1 0 392.459 -0.205 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)c1C#N ZINC000349604247 530342370 /nfs/dbraw/zinc/34/23/70/530342370.db2.gz SUKJKSDVZYTJMB-UHFFFAOYSA-N -1 0 386.459 -0.103 20 30 GBEDRM Cn1cc(C#N)c([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]2CCCO2)n1 ZINC000349604288 530342148 /nfs/dbraw/zinc/34/21/48/530342148.db2.gz ONWHVDDEILROFZ-GFCCVEGCSA-N -1 0 391.475 -0.478 20 30 GBEDRM Cn1cc(C#N)c([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CCCO2)n1 ZINC000349604289 530342133 /nfs/dbraw/zinc/34/21/33/530342133.db2.gz ONWHVDDEILROFZ-LBPRGKRZSA-N -1 0 391.475 -0.478 20 30 GBEDRM Cn1cc(C#N)c([N-]S(=O)(=O)CCCCS(=O)(=O)N2CCCOC2)n1 ZINC000349604711 530342416 /nfs/dbraw/zinc/34/24/16/530342416.db2.gz UASARRYPGIOAIP-UHFFFAOYSA-N -1 0 391.475 -0.177 20 30 GBEDRM N#CCC1(O)CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2nccs2)C1 ZINC000349604811 530096581 /nfs/dbraw/zinc/09/65/81/530096581.db2.gz FKMOMZCLRKRAOD-UHFFFAOYSA-N -1 0 394.500 -0.045 20 30 GBEDRM COC1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2nn(C)cc2C#N)C1 ZINC000349605082 530342454 /nfs/dbraw/zinc/34/24/54/530342454.db2.gz UOPHCEMNEHCTGV-UHFFFAOYSA-N -1 0 391.475 -0.526 20 30 GBEDRM Cn1cc(C#N)c([N-]S(=O)(=O)CCCCS(=O)(=O)N2CCOC2)n1 ZINC000349605700 530342327 /nfs/dbraw/zinc/34/23/27/530342327.db2.gz VLWHFJZAGIMCMS-UHFFFAOYSA-N -1 0 377.448 -0.567 20 30 GBEDRM CCc1nc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)no1 ZINC000349607342 530342670 /nfs/dbraw/zinc/34/26/70/530342670.db2.gz ZFCWVIXJMIDORO-UHFFFAOYSA-N -1 0 377.448 -0.061 20 30 GBEDRM N#CCC1(O)CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2ccon2)C1 ZINC000349607679 530097141 /nfs/dbraw/zinc/09/71/41/530097141.db2.gz MKFUVMBWEXUEMW-UHFFFAOYSA-N -1 0 378.432 -0.513 20 30 GBEDRM Cn1cc(C#N)c([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC(C)(O)C2)n1 ZINC000349608502 530342290 /nfs/dbraw/zinc/34/22/90/530342290.db2.gz GYKRZFUBLJSPSD-UHFFFAOYSA-N -1 0 391.475 -0.790 20 30 GBEDRM N#Cc1cc2c(nc1[N-]S(=O)(=O)CCCS(=O)(=O)NCCO)CCC2 ZINC000349608566 530342377 /nfs/dbraw/zinc/34/23/77/530342377.db2.gz XSUUFVQNRWSTRN-UHFFFAOYSA-N -1 0 388.471 -0.515 20 30 GBEDRM CC#CCN(C)S(=O)(=O)CCCCS(=O)(=O)[N-]c1nc(C)n(C)n1 ZINC000349614557 530343153 /nfs/dbraw/zinc/34/31/53/530343153.db2.gz XVFXGUWRPFHVQR-UHFFFAOYSA-N -1 0 377.492 -0.070 20 30 GBEDRM C[C@H](CC#N)NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc2n(n1)CCCC2 ZINC000349616408 530098208 /nfs/dbraw/zinc/09/82/08/530098208.db2.gz NVEZAGDQSRRPDM-LLVKDONJSA-N -1 0 390.491 -0.032 20 30 GBEDRM C[C@@H](CC#N)NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc2n(n1)CCCC2 ZINC000349616409 530098242 /nfs/dbraw/zinc/09/82/42/530098242.db2.gz NVEZAGDQSRRPDM-NSHDSACASA-N -1 0 390.491 -0.032 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC(C)(O)C2)c1C#N ZINC000349616596 530343218 /nfs/dbraw/zinc/34/32/18/530343218.db2.gz MJWSHYVTFCPKMJ-UHFFFAOYSA-N -1 0 391.475 -0.492 20 30 GBEDRM Cn1cc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC(C)(C#N)C2)nn1 ZINC000349616598 530098130 /nfs/dbraw/zinc/09/81/30/530098130.db2.gz MKHQSSWVPMFYEV-UHFFFAOYSA-N -1 0 376.464 -0.488 20 30 GBEDRM Cn1cnc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC(C)(C#N)C2)n1 ZINC000349618915 530343226 /nfs/dbraw/zinc/34/32/26/530343226.db2.gz ORIKFENTFMBPQK-UHFFFAOYSA-N -1 0 376.464 -0.488 20 30 GBEDRM CC1(O)CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2ncccc2C#N)C1 ZINC000349619551 530343057 /nfs/dbraw/zinc/34/30/57/530343057.db2.gz PCKYYDHTFYJADN-UHFFFAOYSA-N -1 0 388.471 -0.128 20 30 GBEDRM C[C@H](CC#N)NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc2ccccn2n1 ZINC000349620897 530169801 /nfs/dbraw/zinc/16/98/01/530169801.db2.gz STBPEPNHPAGLIP-LLVKDONJSA-N -1 0 386.459 0.083 20 30 GBEDRM C[C@@H](CC#N)NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc2ccccn2n1 ZINC000349620901 530179009 /nfs/dbraw/zinc/17/90/09/530179009.db2.gz STBPEPNHPAGLIP-NSHDSACASA-N -1 0 386.459 0.083 20 30 GBEDRM Cc1nc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC(C)(C#N)C2)nn1C ZINC000349633503 530099399 /nfs/dbraw/zinc/09/93/99/530099399.db2.gz ZIANNOLEPWNGES-UHFFFAOYSA-N -1 0 390.491 -0.179 20 30 GBEDRM C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc1 ZINC000377597556 1073201283 /nfs/dbraw/zinc/20/12/83/1073201283.db2.gz BVZSXFYOLIOFLB-CYBMUJFWSA-N -1 0 376.398 -0.675 20 30 GBEDRM C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)cc1 ZINC000377597558 1073201238 /nfs/dbraw/zinc/20/12/38/1073201238.db2.gz BVZSXFYOLIOFLB-ZDUSSCGKSA-N -1 0 376.398 -0.675 20 30 GBEDRM N#C[C@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCN1C1CC1 ZINC000378059728 1073237475 /nfs/dbraw/zinc/23/74/75/1073237475.db2.gz ONRQAMSVEDTICH-JTQLQIEISA-N -1 0 376.398 -0.203 20 30 GBEDRM N#C[C@@H]1CN(S(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CCN1C1CC1 ZINC000378059729 1073237347 /nfs/dbraw/zinc/23/73/47/1073237347.db2.gz ONRQAMSVEDTICH-SNVBAGLBSA-N -1 0 376.398 -0.203 20 30 GBEDRM C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000392290437 677369089 /nfs/dbraw/zinc/36/90/89/677369089.db2.gz JYAULSDIIOAFIY-GFCCVEGCSA-N -1 0 387.435 -0.039 20 30 GBEDRM C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000392290438 677368351 /nfs/dbraw/zinc/36/83/51/677368351.db2.gz JYAULSDIIOAFIY-LBPRGKRZSA-N -1 0 387.435 -0.039 20 30 GBEDRM Cn1c(N[C@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)c(C#N)c(=O)n(C)c1=O ZINC000416449407 1073271280 /nfs/dbraw/zinc/27/12/80/1073271280.db2.gz VOHZLHASYFXAMG-KBPBESRZSA-N -1 0 397.391 -0.206 20 30 GBEDRM Cn1c(N[C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)c(C#N)c(=O)n(C)c1=O ZINC000416449408 1073271277 /nfs/dbraw/zinc/27/12/77/1073271277.db2.gz VOHZLHASYFXAMG-KGLIPLIRSA-N -1 0 397.391 -0.206 20 30 GBEDRM Cn1c(N[C@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)c(C#N)c(=O)n(C)c1=O ZINC000416449409 1073270880 /nfs/dbraw/zinc/27/08/80/1073270880.db2.gz VOHZLHASYFXAMG-UONOGXRCSA-N -1 0 397.391 -0.206 20 30 GBEDRM Cn1c(N[C@@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)c(C#N)c(=O)n(C)c1=O ZINC000416449410 1073271037 /nfs/dbraw/zinc/27/10/37/1073271037.db2.gz VOHZLHASYFXAMG-ZIAGYGMSSA-N -1 0 397.391 -0.206 20 30 GBEDRM COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417444489 1073307858 /nfs/dbraw/zinc/30/78/58/1073307858.db2.gz CWNRDTCQRYGBNK-CHWSQXEVSA-N -1 0 390.462 -0.607 20 30 GBEDRM COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000417444492 1073307896 /nfs/dbraw/zinc/30/78/96/1073307896.db2.gz CWNRDTCQRYGBNK-OLZOCXBDSA-N -1 0 390.462 -0.607 20 30 GBEDRM COCCN(CCC#N)S(=O)(=O)N[C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000417444494 1073307840 /nfs/dbraw/zinc/30/78/40/1073307840.db2.gz CWNRDTCQRYGBNK-QWHCGFSZSA-N -1 0 390.462 -0.607 20 30 GBEDRM COCCN(CCC#N)S(=O)(=O)N[C@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000417444495 1073307773 /nfs/dbraw/zinc/30/77/73/1073307773.db2.gz CWNRDTCQRYGBNK-STQMWFEESA-N -1 0 390.462 -0.607 20 30 GBEDRM Cc1nn(C)c(N2CCN(C(=O)C(=O)N(C)C[C@@H](C)C(=O)[O-])CC2)c1C#N ZINC000422872922 1072477450 /nfs/dbraw/zinc/47/74/50/1072477450.db2.gz JETJCRWTYZRDKT-LLVKDONJSA-N -1 0 376.417 -0.572 20 30 GBEDRM Cc1nn(C)c(N2CCN(C(=O)C(=O)N(C)C[C@H](C)C(=O)[O-])CC2)c1C#N ZINC000422872923 1072477401 /nfs/dbraw/zinc/47/74/01/1072477401.db2.gz JETJCRWTYZRDKT-NSHDSACASA-N -1 0 376.417 -0.572 20 30 GBEDRM Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@@](C)(C(=O)[O-])C3)CC2)c1C#N ZINC000422874158 1072477525 /nfs/dbraw/zinc/47/75/25/1072477525.db2.gz NDNSXXUCSJRBBF-GOSISDBHSA-N -1 0 388.428 -0.428 20 30 GBEDRM Cc1nn(C)c(N2CCN(C(=O)C(=O)N3CC[C@](C)(C(=O)[O-])C3)CC2)c1C#N ZINC000422874159 1072477245 /nfs/dbraw/zinc/47/72/45/1072477245.db2.gz NDNSXXUCSJRBBF-SFHVURJKSA-N -1 0 388.428 -0.428 20 30 GBEDRM C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000422907290 1072478493 /nfs/dbraw/zinc/47/84/93/1072478493.db2.gz WUUNWENVJJOOBB-KPZWWZAWSA-N -1 0 386.412 -0.291 20 30 GBEDRM C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000422907291 1072478438 /nfs/dbraw/zinc/47/84/38/1072478438.db2.gz WUUNWENVJJOOBB-KZULUSFZSA-N -1 0 386.412 -0.291 20 30 GBEDRM C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000422907292 1072478428 /nfs/dbraw/zinc/47/84/28/1072478428.db2.gz WUUNWENVJJOOBB-SGTLLEGYSA-N -1 0 386.412 -0.291 20 30 GBEDRM C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000422907293 1072478496 /nfs/dbraw/zinc/47/84/96/1072478496.db2.gz WUUNWENVJJOOBB-XIKOKIGWSA-N -1 0 386.412 -0.291 20 30 GBEDRM Cc1nsc(N2CCN(C(=O)C(=O)N3CC[C@@H](C(=O)[O-])C3)CC2)c1C#N ZINC000422937287 974019854 /nfs/dbraw/zinc/01/98/54/974019854.db2.gz JJCSMHHWCNAKFQ-LLVKDONJSA-N -1 0 377.426 -0.095 20 30 GBEDRM Cc1nsc(N2CCN(C(=O)C(=O)N3CC[C@H](C(=O)[O-])C3)CC2)c1C#N ZINC000422937288 974019700 /nfs/dbraw/zinc/01/97/00/974019700.db2.gz JJCSMHHWCNAKFQ-NSHDSACASA-N -1 0 377.426 -0.095 20 30 GBEDRM C=CCN1C(=O)c2ccc(C(=O)N3CCS(=O)(=O)[C@@H](C(=O)[O-])C3)cc2C1=O ZINC000424244402 1073020700 /nfs/dbraw/zinc/02/07/00/1073020700.db2.gz NXAOVEFSOBFKLX-CYBMUJFWSA-N -1 0 392.389 -0.208 20 30 GBEDRM C=CCN1C(=O)c2ccc(C(=O)N3CCS(=O)(=O)[C@H](C(=O)[O-])C3)cc2C1=O ZINC000424244412 1073020431 /nfs/dbraw/zinc/02/04/31/1073020431.db2.gz NXAOVEFSOBFKLX-ZDUSSCGKSA-N -1 0 392.389 -0.208 20 30 GBEDRM N#Cc1cc(F)ccc1CS(=O)(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424366746 530128164 /nfs/dbraw/zinc/12/81/64/530128164.db2.gz JKEMMZSLCCEQOR-GFCCVEGCSA-N -1 0 376.387 -0.289 20 30 GBEDRM N#Cc1cc(F)ccc1CS(=O)(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424366748 530128345 /nfs/dbraw/zinc/12/83/45/530128345.db2.gz JKEMMZSLCCEQOR-LBPRGKRZSA-N -1 0 376.387 -0.289 20 30 GBEDRM N#Cc1ccc(CS(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c(F)c1 ZINC000424368059 530128068 /nfs/dbraw/zinc/12/80/68/530128068.db2.gz OULJMDCAMRDNFU-GFCCVEGCSA-N -1 0 376.387 -0.289 20 30 GBEDRM N#Cc1ccc(CS(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c(F)c1 ZINC000424368060 530128093 /nfs/dbraw/zinc/12/80/93/530128093.db2.gz OULJMDCAMRDNFU-LBPRGKRZSA-N -1 0 376.387 -0.289 20 30 GBEDRM N#Cc1ccc(F)c(CS(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424369895 530127990 /nfs/dbraw/zinc/12/79/90/530127990.db2.gz RXTXZALEAOAEJZ-GFCCVEGCSA-N -1 0 376.387 -0.289 20 30 GBEDRM N#Cc1ccc(F)c(CS(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424369898 530128310 /nfs/dbraw/zinc/12/83/10/530128310.db2.gz RXTXZALEAOAEJZ-LBPRGKRZSA-N -1 0 376.387 -0.289 20 30 GBEDRM N#Cc1cc(F)c(S(=O)(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c(F)c1 ZINC000424373048 530128286 /nfs/dbraw/zinc/12/82/86/530128286.db2.gz XHMDGPNSQUIYHQ-JTQLQIEISA-N -1 0 380.350 -0.291 20 30 GBEDRM N#Cc1cc(F)c(S(=O)(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c(F)c1 ZINC000424373049 530128207 /nfs/dbraw/zinc/12/82/07/530128207.db2.gz XHMDGPNSQUIYHQ-SNVBAGLBSA-N -1 0 380.350 -0.291 20 30 GBEDRM COc1cc(C#N)ccc1S(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424392744 1072590476 /nfs/dbraw/zinc/59/04/76/1072590476.db2.gz QDLCHOYNNZSFRL-SECBINFHSA-N -1 0 379.354 -0.478 20 30 GBEDRM COc1cc(C#N)ccc1S(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424392750 1072590171 /nfs/dbraw/zinc/59/01/71/1072590171.db2.gz QDLCHOYNNZSFRL-VIFPVBQESA-N -1 0 379.354 -0.478 20 30 GBEDRM N#Cc1ccc(F)c(CS(=O)(=O)N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])c1 ZINC000424394392 1072590520 /nfs/dbraw/zinc/59/05/20/1072590520.db2.gz SUECRBKQIYNSGG-LLVKDONJSA-N -1 0 381.345 -0.207 20 30 GBEDRM N#Cc1ccc(F)c(CS(=O)(=O)N2CC3N=NC(=O)N3C[C@H]2C(=O)[O-])c1 ZINC000424394393 1072590179 /nfs/dbraw/zinc/59/01/79/1072590179.db2.gz SUECRBKQIYNSGG-NSHDSACASA-N -1 0 381.345 -0.207 20 30 GBEDRM N#Cc1cc(F)ccc1CS(=O)(=O)N1CC2N=NC(=O)N2C[C@@H]1C(=O)[O-] ZINC000424394882 1072592804 /nfs/dbraw/zinc/59/28/04/1072592804.db2.gz UNYNOWNHPGDIML-LLVKDONJSA-N -1 0 381.345 -0.207 20 30 GBEDRM N#Cc1cc(F)ccc1CS(=O)(=O)N1CC2N=NC(=O)N2C[C@H]1C(=O)[O-] ZINC000424394884 1072592428 /nfs/dbraw/zinc/59/24/28/1072592428.db2.gz UNYNOWNHPGDIML-NSHDSACASA-N -1 0 381.345 -0.207 20 30 GBEDRM COc1ccc(C#N)cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424434864 1072594756 /nfs/dbraw/zinc/59/47/56/1072594756.db2.gz DSYHBSHMLZDJJW-GFCCVEGCSA-N -1 0 381.366 -0.784 20 30 GBEDRM COc1ccc(C#N)cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424434866 1072595252 /nfs/dbraw/zinc/59/52/52/1072595252.db2.gz DSYHBSHMLZDJJW-LBPRGKRZSA-N -1 0 381.366 -0.784 20 30 GBEDRM N#Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1Cl ZINC000424434965 530128137 /nfs/dbraw/zinc/12/81/37/530128137.db2.gz FBTKDTQLGZRUBR-LLVKDONJSA-N -1 0 385.785 -0.140 20 30 GBEDRM N#Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1Cl ZINC000424434967 530128410 /nfs/dbraw/zinc/12/84/10/530128410.db2.gz FBTKDTQLGZRUBR-NSHDSACASA-N -1 0 385.785 -0.140 20 30 GBEDRM N#Cc1cc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)ccc1Cl ZINC000424435851 530128063 /nfs/dbraw/zinc/12/80/63/530128063.db2.gz GUUCHDWAAJLADQ-LLVKDONJSA-N -1 0 385.785 -0.140 20 30 GBEDRM N#Cc1cc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)ccc1Cl ZINC000424435852 530128212 /nfs/dbraw/zinc/12/82/12/530128212.db2.gz GUUCHDWAAJLADQ-NSHDSACASA-N -1 0 385.785 -0.140 20 30 GBEDRM C=CCOc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424439032 1073035146 /nfs/dbraw/zinc/03/51/46/1073035146.db2.gz MWZCZRLWLWGTDJ-CYBMUJFWSA-N -1 0 382.394 -0.100 20 30 GBEDRM C=CCOc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424439034 1073035211 /nfs/dbraw/zinc/03/52/11/1073035211.db2.gz MWZCZRLWLWGTDJ-ZDUSSCGKSA-N -1 0 382.394 -0.100 20 30 GBEDRM N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c1 ZINC000424439911 530128006 /nfs/dbraw/zinc/12/80/06/530128006.db2.gz PDYDKURUQYEEIQ-LLVKDONJSA-N -1 0 385.785 -0.140 20 30 GBEDRM N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c1 ZINC000424439913 530128403 /nfs/dbraw/zinc/12/84/03/530128403.db2.gz PDYDKURUQYEEIQ-NSHDSACASA-N -1 0 385.785 -0.140 20 30 GBEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424441067 1072594211 /nfs/dbraw/zinc/59/42/11/1072594211.db2.gz SLVNWPJVDNLINS-LLVKDONJSA-N -1 0 396.425 -0.237 20 30 GBEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424441068 1072594278 /nfs/dbraw/zinc/59/42/78/1072594278.db2.gz SLVNWPJVDNLINS-NSHDSACASA-N -1 0 396.425 -0.237 20 30 GBEDRM CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424441098 1072594271 /nfs/dbraw/zinc/59/42/71/1072594271.db2.gz SRBJEBDGSWNPJC-CYBMUJFWSA-N -1 0 395.393 -0.394 20 30 GBEDRM CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424441099 1072594305 /nfs/dbraw/zinc/59/43/05/1072594305.db2.gz SRBJEBDGSWNPJC-ZDUSSCGKSA-N -1 0 395.393 -0.394 20 30 GBEDRM N#Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC000424444319 530128357 /nfs/dbraw/zinc/12/83/57/530128357.db2.gz ZWGXRQPNRITTFY-LLVKDONJSA-N -1 0 385.785 -0.140 20 30 GBEDRM N#Cc1ccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC000424444320 530128231 /nfs/dbraw/zinc/12/82/31/530128231.db2.gz ZWGXRQPNRITTFY-NSHDSACASA-N -1 0 385.785 -0.140 20 30 GBEDRM O=C([O-])[C@H]1CN(C(=O)C(=O)NCC#Cc2cccc(F)c2)CCS1(=O)=O ZINC000424477274 1073024102 /nfs/dbraw/zinc/02/41/02/1073024102.db2.gz BHKOLWQSAQUYQS-CYBMUJFWSA-N -1 0 382.369 -0.996 20 30 GBEDRM O=C([O-])[C@@H]1CN(C(=O)C(=O)NCC#Cc2cccc(F)c2)CCS1(=O)=O ZINC000424477279 1073023913 /nfs/dbraw/zinc/02/39/13/1073023913.db2.gz BHKOLWQSAQUYQS-ZDUSSCGKSA-N -1 0 382.369 -0.996 20 30 GBEDRM Cc1nn(C)c(N2CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])CC2)c1C#N ZINC000424477883 1072595858 /nfs/dbraw/zinc/59/58/58/1072595858.db2.gz CAEJLBSBTVQRTK-UHFFFAOYSA-N -1 0 390.444 -0.134 20 30 GBEDRM C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])CC1 ZINC000424481513 1072596311 /nfs/dbraw/zinc/59/63/11/1072596311.db2.gz KMOQLJPDXLEGPO-AWEZNQCLSA-N -1 0 382.461 -0.704 20 30 GBEDRM C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CC1 ZINC000424481515 1072596440 /nfs/dbraw/zinc/59/64/40/1072596440.db2.gz KMOQLJPDXLEGPO-CQSZACIVSA-N -1 0 382.461 -0.704 20 30 GBEDRM N#Cc1ccc(CNC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)cc1F ZINC000424488198 1072597889 /nfs/dbraw/zinc/59/78/89/1072597889.db2.gz LXBKKFAXSIVFGN-GFCCVEGCSA-N -1 0 383.357 -0.976 20 30 GBEDRM N#Cc1ccc(CNC(=O)C(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)cc1F ZINC000424488199 1072598159 /nfs/dbraw/zinc/59/81/59/1072598159.db2.gz LXBKKFAXSIVFGN-LBPRGKRZSA-N -1 0 383.357 -0.976 20 30 GBEDRM N#CCC[C@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000424488931 1072597927 /nfs/dbraw/zinc/59/79/27/1072597927.db2.gz NWIGBXIAMPHFNM-KBPBESRZSA-N -1 0 393.421 -0.142 20 30 GBEDRM N#CCC[C@@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000424488933 1072598084 /nfs/dbraw/zinc/59/80/84/1072598084.db2.gz NWIGBXIAMPHFNM-KGLIPLIRSA-N -1 0 393.421 -0.142 20 30 GBEDRM N#CCC[C@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000424488935 1072598073 /nfs/dbraw/zinc/59/80/73/1072598073.db2.gz NWIGBXIAMPHFNM-UONOGXRCSA-N -1 0 393.421 -0.142 20 30 GBEDRM N#CCC[C@@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000424488938 1072598036 /nfs/dbraw/zinc/59/80/36/1072598036.db2.gz NWIGBXIAMPHFNM-ZIAGYGMSSA-N -1 0 393.421 -0.142 20 30 GBEDRM CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424504932 1072601489 /nfs/dbraw/zinc/60/14/89/1072601489.db2.gz KFJDTXAUOIBIMH-CYBMUJFWSA-N -1 0 379.394 -0.773 20 30 GBEDRM CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424504936 1072601448 /nfs/dbraw/zinc/60/14/48/1072601448.db2.gz KFJDTXAUOIBIMH-ZDUSSCGKSA-N -1 0 379.394 -0.773 20 30 GBEDRM C=CCN(Cc1cccs1)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424506134 530130203 /nfs/dbraw/zinc/13/02/03/530130203.db2.gz LTTFYYAYGPSQTB-GFCCVEGCSA-N -1 0 386.451 -0.027 20 30 GBEDRM C=CCN(Cc1cccs1)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424506137 530130101 /nfs/dbraw/zinc/13/01/01/530130101.db2.gz LTTFYYAYGPSQTB-LBPRGKRZSA-N -1 0 386.451 -0.027 20 30 GBEDRM C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424507233 1073029587 /nfs/dbraw/zinc/02/95/87/1073029587.db2.gz NAKLXRUHQZMZNM-AWEZNQCLSA-N -1 0 380.422 -0.089 20 30 GBEDRM C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424507234 1073029821 /nfs/dbraw/zinc/02/98/21/1073029821.db2.gz NAKLXRUHQZMZNM-CQSZACIVSA-N -1 0 380.422 -0.089 20 30 GBEDRM C=CCNC(=O)CN1CCN(C(=O)C(=O)NCC(CC)(CC)C(=O)[O-])CC1 ZINC000424507385 1072601635 /nfs/dbraw/zinc/60/16/35/1072601635.db2.gz NDRNNUFUDMYMDZ-UHFFFAOYSA-N -1 0 382.461 -0.560 20 30 GBEDRM C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424510271 1073030222 /nfs/dbraw/zinc/03/02/22/1073030222.db2.gz RRTKATVEJXDRQM-HNNXBMFYSA-N -1 0 394.449 -0.046 20 30 GBEDRM C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424510272 1073030474 /nfs/dbraw/zinc/03/04/74/1073030474.db2.gz RRTKATVEJXDRQM-OAHLLOKOSA-N -1 0 394.449 -0.046 20 30 GBEDRM C=CCOc1ccccc1CNC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424512247 1073031011 /nfs/dbraw/zinc/03/10/11/1073031011.db2.gz ZUJKRPJJNMCXIC-AWEZNQCLSA-N -1 0 396.421 -0.422 20 30 GBEDRM C=CCOc1ccccc1CNC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424512248 1073031208 /nfs/dbraw/zinc/03/12/08/1073031208.db2.gz ZUJKRPJJNMCXIC-CQSZACIVSA-N -1 0 396.421 -0.422 20 30 GBEDRM C=CCN(CCc1ccco1)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424513098 1073031817 /nfs/dbraw/zinc/03/18/17/1073031817.db2.gz WXPWKBBVXJPBLE-CYBMUJFWSA-N -1 0 384.410 -0.453 20 30 GBEDRM C=CCN(CCc1ccco1)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424513099 1073031956 /nfs/dbraw/zinc/03/19/56/1073031956.db2.gz WXPWKBBVXJPBLE-ZDUSSCGKSA-N -1 0 384.410 -0.453 20 30 GBEDRM CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1 ZINC000424514473 1072603200 /nfs/dbraw/zinc/60/32/00/1072603200.db2.gz ZSCTWGRQSXCGNN-CYBMUJFWSA-N -1 0 379.394 -0.773 20 30 GBEDRM CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1 ZINC000424514476 1072603134 /nfs/dbraw/zinc/60/31/34/1072603134.db2.gz ZSCTWGRQSXCGNN-ZDUSSCGKSA-N -1 0 379.394 -0.773 20 30 GBEDRM C[C@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)c1ccc(C#N)cc1 ZINC000424514974 1072603267 /nfs/dbraw/zinc/60/32/67/1072603267.db2.gz HMADJWKRZQXZMP-GWCFXTLKSA-N -1 0 379.394 -0.554 20 30 GBEDRM C[C@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)c1ccc(C#N)cc1 ZINC000424514975 1072602779 /nfs/dbraw/zinc/60/27/79/1072602779.db2.gz HMADJWKRZQXZMP-GXFFZTMASA-N -1 0 379.394 -0.554 20 30 GBEDRM C[C@@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C(=O)[O-])C1)c1ccc(C#N)cc1 ZINC000424514976 1072603188 /nfs/dbraw/zinc/60/31/88/1072603188.db2.gz HMADJWKRZQXZMP-MFKMUULPSA-N -1 0 379.394 -0.554 20 30 GBEDRM C[C@@H](NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C(=O)[O-])C1)c1ccc(C#N)cc1 ZINC000424514977 1072603257 /nfs/dbraw/zinc/60/32/57/1072603257.db2.gz HMADJWKRZQXZMP-ZWNOBZJWSA-N -1 0 379.394 -0.554 20 30 GBEDRM N#CCN1CCC(CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000427805208 1073212270 /nfs/dbraw/zinc/21/22/70/1073212270.db2.gz YLVZQSUJLAFLJW-UHFFFAOYSA-N -1 0 378.414 -0.050 20 30 GBEDRM Cn1cc(S(=O)(=O)[N-]c2nnc(-c3cccc(C#N)c3)o2)c(=O)n(C)c1=O ZINC000430342470 1072269766 /nfs/dbraw/zinc/26/97/66/1072269766.db2.gz XIVSULAGXTWPQX-UHFFFAOYSA-N -1 0 388.365 -0.194 20 30 GBEDRM Cn1c(NCCN2c3ccccc3[N-]S2(=O)=O)c(C#N)c(=O)n(C)c1=O ZINC000430509015 1072491011 /nfs/dbraw/zinc/49/10/11/1072491011.db2.gz HXXJFUUTBHQRGV-UHFFFAOYSA-N -1 0 376.398 -0.456 20 30 GBEDRM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ncn(CC(=O)NC)n2)c1 ZINC000437306587 1072802895 /nfs/dbraw/zinc/80/28/95/1072802895.db2.gz QERLPQFWPPDTRV-UHFFFAOYSA-N -1 0 378.414 -0.259 20 30 GBEDRM CCn1ncc(C#N)c1[N-]S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000438237875 1072872466 /nfs/dbraw/zinc/87/24/66/1072872466.db2.gz JAPGBWWNDUOHAW-UHFFFAOYSA-N -1 0 375.370 -0.077 20 30 GBEDRM C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cn(CC(=O)[O-])nn2)cc1 ZINC000439709316 1072964079 /nfs/dbraw/zinc/96/40/79/1072964079.db2.gz QIJBBIFDGMNLRX-UHFFFAOYSA-N -1 0 379.398 -0.243 20 30 GBEDRM C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cn(CC(=O)[O-])nn2)c1 ZINC000439722540 1072964939 /nfs/dbraw/zinc/96/49/39/1072964939.db2.gz VDTRUNKUFNBOKB-UHFFFAOYSA-N -1 0 379.398 -0.243 20 30 GBEDRM N#CCC(=O)N1CCN(C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000450126988 1073731396 /nfs/dbraw/zinc/73/13/96/1073731396.db2.gz KMMGXLKZIDRRPG-UHFFFAOYSA-N -1 0 386.380 -0.172 20 30 GBEDRM CC[C@H](C#N)S(=O)(=O)[N-]c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000462065711 530408348 /nfs/dbraw/zinc/40/83/48/530408348.db2.gz DUNLFPGDFJCVJS-GFCCVEGCSA-N -1 0 386.455 -0.149 20 30 GBEDRM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000462065712 530408305 /nfs/dbraw/zinc/40/83/05/530408305.db2.gz DUNLFPGDFJCVJS-LBPRGKRZSA-N -1 0 386.455 -0.149 20 30 GBEDRM CCN(CC)c1n[nH]c([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1C#N ZINC000463373305 1072271262 /nfs/dbraw/zinc/27/12/62/1072271262.db2.gz CIERTELCCSOZSU-UHFFFAOYSA-N -1 0 381.418 -0.674 20 30 GBEDRM C=CCOC[C@@H]([N-]S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)OC ZINC000481591495 530428955 /nfs/dbraw/zinc/42/89/55/530428955.db2.gz LOIBMLQFDYPKDF-CYBMUJFWSA-N -1 0 398.503 -0.678 20 30 GBEDRM C=CCOC[C@H]([N-]S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)OC ZINC000481591496 530428728 /nfs/dbraw/zinc/42/87/28/530428728.db2.gz LOIBMLQFDYPKDF-ZDUSSCGKSA-N -1 0 398.503 -0.678 20 30 GBEDRM C=CCNS(=O)(=O)c1ccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1 ZINC000492226480 530440747 /nfs/dbraw/zinc/44/07/47/530440747.db2.gz VRLSIOHWNDWDPE-UHFFFAOYSA-N -1 0 385.427 -0.075 20 30 GBEDRM N#Cc1ncn(CCNS(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)n1 ZINC000505835945 1072748571 /nfs/dbraw/zinc/74/85/71/1072748571.db2.gz ZITCCEXXNFDTCY-UHFFFAOYSA-N -1 0 379.354 -0.402 20 30 GBEDRM N#CCNC(=O)CNS(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000505853558 1072753492 /nfs/dbraw/zinc/75/34/92/1072753492.db2.gz PAMWSCQQKBMICX-JTQLQIEISA-N -1 0 380.382 -0.958 20 30 GBEDRM N#CCNC(=O)CNS(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000505853559 1072753875 /nfs/dbraw/zinc/75/38/75/1072753875.db2.gz PAMWSCQQKBMICX-SNVBAGLBSA-N -1 0 380.382 -0.958 20 30 GBEDRM CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)NCC(=O)NCC#N ZINC000511024557 530457098 /nfs/dbraw/zinc/45/70/98/530457098.db2.gz BTTDLTBMDUGDAX-UHFFFAOYSA-N -1 0 390.443 -0.625 20 30 GBEDRM CN(CC(=O)Nc1n[n-]c(S(C)(=O)=O)n1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000512577987 1073843834 /nfs/dbraw/zinc/84/38/34/1073843834.db2.gz OJKVUZGXCYZUMY-UHFFFAOYSA-N -1 0 398.426 -0.661 20 30 GBEDRM CCc1c(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000513686938 1073983180 /nfs/dbraw/zinc/98/31/80/1073983180.db2.gz IUSWPRRQPUQHCI-UHFFFAOYSA-N -1 0 378.352 -0.087 20 30 GBEDRM C=CCOC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1)C(=O)[O-] ZINC000515350358 530373552 /nfs/dbraw/zinc/37/35/52/530373552.db2.gz RUBYZTWNRHDVGT-GFCCVEGCSA-N -1 0 392.455 -0.163 20 30 GBEDRM C=CCOC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1)C(=O)[O-] ZINC000515350359 530373635 /nfs/dbraw/zinc/37/36/35/530373635.db2.gz RUBYZTWNRHDVGT-LBPRGKRZSA-N -1 0 392.455 -0.163 20 30 GBEDRM N#Cc1c[n-]c(=O)n(CC(=O)NCc2ccccc2CN2CCOCC2)c1=O ZINC000516969903 1072821593 /nfs/dbraw/zinc/82/15/93/1072821593.db2.gz LJRAGCFZWJTYOD-UHFFFAOYSA-N -1 0 383.408 -0.443 20 30 GBEDRM N#CCC1(O)CN(S(=O)(=O)c2ccc(S(=O)(=O)[N-]c3c[nH]cn3)cc2)C1 ZINC000519181425 1072985017 /nfs/dbraw/zinc/98/50/17/1072985017.db2.gz BWCNZSCJEKYEPY-UHFFFAOYSA-N -1 0 397.438 -0.140 20 30 GBEDRM N#CC1(NC(=O)CN2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)CCC1 ZINC000527373704 1073683965 /nfs/dbraw/zinc/68/39/65/1073683965.db2.gz IOYCZUKNDMZQSV-UHFFFAOYSA-N -1 0 397.423 0.000 20 30 GBEDRM CC(C)(CNC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)N1CCOCC1 ZINC000527630541 1073692376 /nfs/dbraw/zinc/69/23/76/1073692376.db2.gz DINNNYXLSSAHSV-UHFFFAOYSA-N -1 0 376.417 -0.502 20 30 GBEDRM CC(C)[C@H](CNC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)N1CCOCC1 ZINC000527655170 1073693238 /nfs/dbraw/zinc/69/32/38/1073693238.db2.gz YNQPTRPOFMXXOZ-HNNXBMFYSA-N -1 0 390.444 -0.256 20 30 GBEDRM CC(C)[C@@H](CNC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)N1CCOCC1 ZINC000527655171 1073693587 /nfs/dbraw/zinc/69/35/87/1073693587.db2.gz YNQPTRPOFMXXOZ-OAHLLOKOSA-N -1 0 390.444 -0.256 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)N[C@@H]3CCCN(c4ncccn4)C3)C2)c(=O)[n-]c1=O ZINC000527688621 1073695113 /nfs/dbraw/zinc/69/51/13/1073695113.db2.gz RHWWPQZWMKLFSR-CYBMUJFWSA-N -1 0 396.411 -0.154 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)N[C@H]3CCCN(c4ncccn4)C3)C2)c(=O)[n-]c1=O ZINC000527688631 1073694990 /nfs/dbraw/zinc/69/49/90/1073694990.db2.gz RHWWPQZWMKLFSR-ZDUSSCGKSA-N -1 0 396.411 -0.154 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)NCCN3C(=O)Cc4ccccc43)C2)c(=O)[n-]c1=O ZINC000527716113 1073695976 /nfs/dbraw/zinc/69/59/76/1073695976.db2.gz LJTQICZGFGEUMQ-UHFFFAOYSA-N -1 0 394.391 -0.024 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)NCC(=O)N3CCc4ccccc43)C2)c(=O)[n-]c1=O ZINC000527720571 1073696024 /nfs/dbraw/zinc/69/60/24/1073696024.db2.gz RDVDZALFSPMNDB-UHFFFAOYSA-N -1 0 394.391 -0.024 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)NCCc3cccc(C(N)=O)c3)C2)c(=O)[n-]c1=O ZINC000527721101 1073696016 /nfs/dbraw/zinc/69/60/16/1073696016.db2.gz OCBPQGLZMIOUEU-UHFFFAOYSA-N -1 0 382.380 -0.272 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)NCCn3c(=O)oc4ccccc43)C2)c(=O)[n-]c1=O ZINC000527732012 1073695234 /nfs/dbraw/zinc/69/52/34/1073695234.db2.gz ZLQXHGWUDMSFFI-UHFFFAOYSA-N -1 0 396.363 -0.005 20 30 GBEDRM CC1(C)COCCN1CCNC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1 ZINC000527767218 1073698526 /nfs/dbraw/zinc/69/85/26/1073698526.db2.gz NRKQFNXVUVBXNE-UHFFFAOYSA-N -1 0 376.417 -0.502 20 30 GBEDRM C[C@@H](NC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)[C@H](C)N1CCOCC1 ZINC000527769231 1073698565 /nfs/dbraw/zinc/69/85/65/1073698565.db2.gz YPESWAAVMUHPPT-NEPJUHHUSA-N -1 0 376.417 -0.504 20 30 GBEDRM C[C@H]([C@H](C)NC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)N1CCOCC1 ZINC000527769233 1073698452 /nfs/dbraw/zinc/69/84/52/1073698452.db2.gz YPESWAAVMUHPPT-NWDGAFQWSA-N -1 0 376.417 -0.504 20 30 GBEDRM C[C@H](NC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)[C@H](C)N1CCOCC1 ZINC000527769235 1073697930 /nfs/dbraw/zinc/69/79/30/1073697930.db2.gz YPESWAAVMUHPPT-RYUDHWBXSA-N -1 0 376.417 -0.504 20 30 GBEDRM C[C@@H](NC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)[C@@H](C)N1CCOCC1 ZINC000527769237 1073698311 /nfs/dbraw/zinc/69/83/11/1073698311.db2.gz YPESWAAVMUHPPT-VXGBXAGGSA-N -1 0 376.417 -0.504 20 30 GBEDRM CNC(=O)c1cccc(CCNC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)c1 ZINC000527776244 1073699045 /nfs/dbraw/zinc/69/90/45/1073699045.db2.gz YZSBWJZOCBXXKB-UHFFFAOYSA-N -1 0 396.407 -0.011 20 30 GBEDRM C[C@H](CNC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)CN1CCOCC1 ZINC000527799656 1073699093 /nfs/dbraw/zinc/69/90/93/1073699093.db2.gz LZLPVXRCAXJMBD-GFCCVEGCSA-N -1 0 376.417 -0.645 20 30 GBEDRM C[C@@H](CNC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)CN1CCOCC1 ZINC000527799665 1073698985 /nfs/dbraw/zinc/69/89/85/1073698985.db2.gz LZLPVXRCAXJMBD-LBPRGKRZSA-N -1 0 376.417 -0.645 20 30 GBEDRM CC1(C)CN(CCNC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)CCO1 ZINC000527800987 1073699069 /nfs/dbraw/zinc/69/90/69/1073699069.db2.gz QWJWPSHBUXTICE-UHFFFAOYSA-N -1 0 376.417 -0.502 20 30 GBEDRM CC[C@@H](NC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)C(=O)N1CCOCC1 ZINC000527807772 1073699554 /nfs/dbraw/zinc/69/95/54/1073699554.db2.gz DSRORQBPNNWKDD-CYBMUJFWSA-N -1 0 390.400 -0.976 20 30 GBEDRM CC[C@H](NC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)C(=O)N1CCOCC1 ZINC000527807773 1073698937 /nfs/dbraw/zinc/69/89/37/1073698937.db2.gz DSRORQBPNNWKDD-ZDUSSCGKSA-N -1 0 390.400 -0.976 20 30 GBEDRM CCNC(=O)N1CC[C@@H](NC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)C1 ZINC000527817267 1073699265 /nfs/dbraw/zinc/69/92/65/1073699265.db2.gz FIMFDZIMGBDBQS-LLVKDONJSA-N -1 0 375.389 -0.809 20 30 GBEDRM CCNC(=O)N1CC[C@H](NC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)C1 ZINC000527817276 1073698885 /nfs/dbraw/zinc/69/88/85/1073698885.db2.gz FIMFDZIMGBDBQS-NSHDSACASA-N -1 0 375.389 -0.809 20 30 GBEDRM CCc1nn(C)c(OC)c1CNC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1 ZINC000527840687 1073700683 /nfs/dbraw/zinc/70/06/83/1073700683.db2.gz CGRGNRMAUXOLEV-UHFFFAOYSA-N -1 0 387.400 -0.108 20 30 GBEDRM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)O1 ZINC000527842333 1073700282 /nfs/dbraw/zinc/70/02/82/1073700282.db2.gz JNFRYAWTKZEWAH-CHWSQXEVSA-N -1 0 390.400 -0.977 20 30 GBEDRM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)O1 ZINC000527842335 1073700588 /nfs/dbraw/zinc/70/05/88/1073700588.db2.gz JNFRYAWTKZEWAH-OLZOCXBDSA-N -1 0 390.400 -0.977 20 30 GBEDRM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)O1 ZINC000527842338 1073700134 /nfs/dbraw/zinc/70/01/34/1073700134.db2.gz JNFRYAWTKZEWAH-QWHCGFSZSA-N -1 0 390.400 -0.977 20 30 GBEDRM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)O1 ZINC000527842340 1073700273 /nfs/dbraw/zinc/70/02/73/1073700273.db2.gz JNFRYAWTKZEWAH-STQMWFEESA-N -1 0 390.400 -0.977 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)NC[C@H]3CCCCS3(=O)=O)C2)c(=O)[n-]c1=O ZINC000527851734 1073701583 /nfs/dbraw/zinc/70/15/83/1073701583.db2.gz LZIPEWHIUNTNDB-GFCCVEGCSA-N -1 0 381.414 -0.646 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)NC[C@@H]3CCCCS3(=O)=O)C2)c(=O)[n-]c1=O ZINC000527851742 1073701369 /nfs/dbraw/zinc/70/13/69/1073701369.db2.gz LZIPEWHIUNTNDB-LBPRGKRZSA-N -1 0 381.414 -0.646 20 30 GBEDRM COCCO[C@H]1COCC[C@@H]1NC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1 ZINC000527861799 1073700036 /nfs/dbraw/zinc/70/00/36/1073700036.db2.gz CRGJPAIAKIJUKS-KBPBESRZSA-N -1 0 393.400 -0.793 20 30 GBEDRM COCCO[C@H]1COCC[C@H]1NC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1 ZINC000527861800 1073700003 /nfs/dbraw/zinc/70/00/03/1073700003.db2.gz CRGJPAIAKIJUKS-KGLIPLIRSA-N -1 0 393.400 -0.793 20 30 GBEDRM COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1 ZINC000527861801 1073700149 /nfs/dbraw/zinc/70/01/49/1073700149.db2.gz CRGJPAIAKIJUKS-UONOGXRCSA-N -1 0 393.400 -0.793 20 30 GBEDRM COCCO[C@@H]1COCC[C@H]1NC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1 ZINC000527861802 1073700511 /nfs/dbraw/zinc/70/05/11/1073700511.db2.gz CRGJPAIAKIJUKS-ZIAGYGMSSA-N -1 0 393.400 -0.793 20 30 GBEDRM CC(=O)Nc1ccc(CNC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)cn1 ZINC000527891798 1073701076 /nfs/dbraw/zinc/70/10/76/1073701076.db2.gz YKPIVBHGCDAKAG-UHFFFAOYSA-N -1 0 383.368 -0.060 20 30 GBEDRM CS(=O)(=O)C1(CNC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)CCC1 ZINC000527896191 1073701157 /nfs/dbraw/zinc/70/11/57/1073701157.db2.gz PHBDHIAJDIGJIL-UHFFFAOYSA-N -1 0 381.414 -0.646 20 30 GBEDRM CS(=O)(=O)C1(CNC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)CCCC1 ZINC000527933435 1073702607 /nfs/dbraw/zinc/70/26/07/1073702607.db2.gz QRHIPSGZLVTOOJ-UHFFFAOYSA-N -1 0 395.441 -0.256 20 30 GBEDRM COc1ccc(CNC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)c(OC)n1 ZINC000527953108 1073702662 /nfs/dbraw/zinc/70/26/62/1073702662.db2.gz JXLLMGBDSUSCGF-UHFFFAOYSA-N -1 0 386.368 -0.001 20 30 GBEDRM COC1([C@@H](C)NC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)CCOCC1 ZINC000528021726 1073703375 /nfs/dbraw/zinc/70/33/75/1073703375.db2.gz FGRQVAXRYQCRRW-LLVKDONJSA-N -1 0 377.401 -0.029 20 30 GBEDRM COC1([C@H](C)NC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)CCOCC1 ZINC000528021727 1073703199 /nfs/dbraw/zinc/70/31/99/1073703199.db2.gz FGRQVAXRYQCRRW-NSHDSACASA-N -1 0 377.401 -0.029 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)CCS(=O)(=O)C3CCCC3)C2)c(=O)[n-]c1=O ZINC000530264696 1073765255 /nfs/dbraw/zinc/76/52/55/1073765255.db2.gz AFEMCVJKHVXMPQ-UHFFFAOYSA-N -1 0 380.426 -0.049 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)C2)c(=O)[n-]c1=O ZINC000530264707 1073765366 /nfs/dbraw/zinc/76/53/66/1073765366.db2.gz ASDVOKAPKJARCU-BETUJISGSA-N -1 0 385.380 -0.621 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)C2)c(=O)[n-]c1=O ZINC000530264708 1073765136 /nfs/dbraw/zinc/76/51/36/1073765136.db2.gz ASDVOKAPKJARCU-CHWSQXEVSA-N -1 0 385.380 -0.621 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)C2)c(=O)[n-]c1=O ZINC000530264709 1073765106 /nfs/dbraw/zinc/76/51/06/1073765106.db2.gz ASDVOKAPKJARCU-STQMWFEESA-N -1 0 385.380 -0.621 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)CNS(=O)(=O)c3cccs3)C2)c(=O)[n-]c1=O ZINC000530264710 1073765526 /nfs/dbraw/zinc/76/55/26/1073765526.db2.gz ASHQAABRMIKHDO-UHFFFAOYSA-N -1 0 395.422 -0.756 20 30 GBEDRM CCC1(CC)NC(=O)N(CC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)C1=O ZINC000530264782 1073765263 /nfs/dbraw/zinc/76/52/63/1073765263.db2.gz DAFKLIXHTXRSHJ-UHFFFAOYSA-N -1 0 388.384 -0.686 20 30 GBEDRM Cc1cccc2c1ncn(CC(=O)N1CC(n3cc(C#N)c(=O)[n-]c3=O)C1)c2=O ZINC000530265768 1073765127 /nfs/dbraw/zinc/76/51/27/1073765127.db2.gz HSHYWMSGSCYELQ-UHFFFAOYSA-N -1 0 392.375 -0.078 20 30 GBEDRM Cn1c2ccccc2n(CCC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)c1=O ZINC000530265812 1073765541 /nfs/dbraw/zinc/76/55/41/1073765541.db2.gz ISOOEAPFHZJQGF-UHFFFAOYSA-N -1 0 394.391 -0.052 20 30 GBEDRM COc1ccc(C(=O)NCC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)cc1 ZINC000530265818 1073765456 /nfs/dbraw/zinc/76/54/56/1073765456.db2.gz IWTNLPNWYSFGFL-UHFFFAOYSA-N -1 0 383.364 -0.358 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)CCCS(=O)(=O)N3CCCC3)C2)c(=O)[n-]c1=O ZINC000530265821 1073765411 /nfs/dbraw/zinc/76/54/11/1073765411.db2.gz IYYAKDPOOXSXMF-UHFFFAOYSA-N -1 0 395.441 -0.590 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)CNC(=O)c3ccc4c(c3)OCO4)C2)c(=O)[n-]c1=O ZINC000530265824 1073765272 /nfs/dbraw/zinc/76/52/72/1073765272.db2.gz JAMUBEHWOBQLOU-UHFFFAOYSA-N -1 0 397.347 -0.637 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)CCN3C(=O)c4ccccc4C3=O)C2)c(=O)[n-]c1=O ZINC000530266497 1073765328 /nfs/dbraw/zinc/76/53/28/1073765328.db2.gz KKCYJPDSHHKENA-UHFFFAOYSA-N -1 0 393.359 -0.110 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)C2)c(=O)[n-]c1=O ZINC000530266499 1073765182 /nfs/dbraw/zinc/76/51/82/1073765182.db2.gz KLDJERIXKOKUDB-GFCCVEGCSA-N -1 0 394.391 -0.352 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)[C@H]3CC(=O)N(Cc4ccccn4)C3)C2)c(=O)[n-]c1=O ZINC000530266501 1073765289 /nfs/dbraw/zinc/76/52/89/1073765289.db2.gz KLDJERIXKOKUDB-LBPRGKRZSA-N -1 0 394.391 -0.352 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)[C@@H]3CC(=O)N(CC(F)(F)F)C3)C2)c(=O)[n-]c1=O ZINC000530266513 1073765146 /nfs/dbraw/zinc/76/51/46/1073765146.db2.gz KNFVKIAGMOJPKB-MRVPVSSYSA-N -1 0 385.302 -0.385 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)[C@H]3CC(=O)N(CC(F)(F)F)C3)C2)c(=O)[n-]c1=O ZINC000530266515 1073765353 /nfs/dbraw/zinc/76/53/53/1073765353.db2.gz KNFVKIAGMOJPKB-QMMMGPOBSA-N -1 0 385.302 -0.385 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)C2)c(=O)[n-]c1=O ZINC000530266527 1073765483 /nfs/dbraw/zinc/76/54/83/1073765483.db2.gz KSPDOXJIIMNRIC-KBPBESRZSA-N -1 0 399.407 -0.231 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)CCN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)C2)c(=O)[n-]c1=O ZINC000530266533 1073765374 /nfs/dbraw/zinc/76/53/74/1073765374.db2.gz KSPDOXJIIMNRIC-OKILXGFUSA-N -1 0 399.407 -0.231 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)C2)c(=O)[n-]c1=O ZINC000530266534 1073765385 /nfs/dbraw/zinc/76/53/85/1073765385.db2.gz KSPDOXJIIMNRIC-ZIAGYGMSSA-N -1 0 399.407 -0.231 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)CNC(=O)Cc3cccc(F)c3)C2)c(=O)[n-]c1=O ZINC000530266585 1073765199 /nfs/dbraw/zinc/76/51/99/1073765199.db2.gz LQSYCINXOLYOQV-UHFFFAOYSA-N -1 0 385.355 -0.298 20 30 GBEDRM COc1ccccc1C(=O)NCC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1 ZINC000530266617 1073765243 /nfs/dbraw/zinc/76/52/43/1073765243.db2.gz MHZPATCTCQFNCQ-UHFFFAOYSA-N -1 0 383.364 -0.358 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)C2)c(=O)[n-]c1=O ZINC000530266618 1073765399 /nfs/dbraw/zinc/76/53/99/1073765399.db2.gz MLIIPVNHMMPPFO-LLVKDONJSA-N -1 0 383.364 -0.154 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)C2)c(=O)[n-]c1=O ZINC000530266619 1073765083 /nfs/dbraw/zinc/76/50/83/1073765083.db2.gz MLIIPVNHMMPPFO-NSHDSACASA-N -1 0 383.364 -0.154 20 30 GBEDRM CN(C)C(=O)COc1ccccc1C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1 ZINC000530267301 1073765448 /nfs/dbraw/zinc/76/54/48/1073765448.db2.gz PDFXOKUDMRLBLR-UHFFFAOYSA-N -1 0 397.391 -0.015 20 30 GBEDRM COc1cccc(C(=O)NCC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)c1 ZINC000530267312 1073765548 /nfs/dbraw/zinc/76/55/48/1073765548.db2.gz PIIVHTXCLOWKHU-UHFFFAOYSA-N -1 0 383.364 -0.358 20 30 GBEDRM CNS(=O)(=O)c1ccc(C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)cc1 ZINC000530268089 1073765204 /nfs/dbraw/zinc/76/52/04/1073765204.db2.gz SHDAIHKDZNYAGP-UHFFFAOYSA-N -1 0 389.393 -0.574 20 30 GBEDRM Cc1ccc2c(c1)C(=O)N(CC(=O)N1CC(n3cc(C#N)c(=O)[n-]c3=O)C1)C2=O ZINC000530268100 1073765170 /nfs/dbraw/zinc/76/51/70/1073765170.db2.gz SMVKYFUSUWBJKH-UHFFFAOYSA-N -1 0 393.359 -0.192 20 30 GBEDRM Cn1c2ccccc2n(CC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)c1=O ZINC000530268173 1073765534 /nfs/dbraw/zinc/76/55/34/1073765534.db2.gz UMEADZIGZAHUGI-UHFFFAOYSA-N -1 0 380.364 -0.443 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)CCn3nnc4ccccc4c3=O)C2)c(=O)[n-]c1=O ZINC000530268176 1073765472 /nfs/dbraw/zinc/76/54/72/1073765472.db2.gz UOSZVJYHLDOFAC-UHFFFAOYSA-N -1 0 393.363 -0.601 20 30 GBEDRM CS(=O)(=O)Nc1ccc(C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)cc1 ZINC000530268196 1073765508 /nfs/dbraw/zinc/76/55/08/1073765508.db2.gz UVFOGAIFVMVVPT-UHFFFAOYSA-N -1 0 389.393 -0.111 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)CN3C(=O)NC4(CCCC4)C3=O)C2)c(=O)[n-]c1=O ZINC000530268281 1073765338 /nfs/dbraw/zinc/76/53/38/1073765338.db2.gz VFFLYHKIXHCIEI-UHFFFAOYSA-N -1 0 386.368 -0.932 20 30 GBEDRM Cc1nc2ccccc2c(=O)n1CC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1 ZINC000530268303 1073765434 /nfs/dbraw/zinc/76/54/34/1073765434.db2.gz VIGMCFRYDDUOQA-UHFFFAOYSA-N -1 0 392.375 -0.078 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)CN3C(=O)COc4ccccc43)C2)c(=O)[n-]c1=O ZINC000530268936 1073765517 /nfs/dbraw/zinc/76/55/17/1073765517.db2.gz YAOVHIQNVOQRHB-UHFFFAOYSA-N -1 0 381.348 -0.371 20 30 GBEDRM CNS(=O)(=O)c1cccc(C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)c1 ZINC000530269012 1073765301 /nfs/dbraw/zinc/76/53/01/1073765301.db2.gz YSTOBJGEPUBNEX-UHFFFAOYSA-N -1 0 389.393 -0.574 20 30 GBEDRM CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1 ZINC000530270338 1073765221 /nfs/dbraw/zinc/76/52/21/1073765221.db2.gz GKMMCFVCRKQPBX-GFCCVEGCSA-N -1 0 381.414 -0.982 20 30 GBEDRM CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1 ZINC000530270339 1073765073 /nfs/dbraw/zinc/76/50/73/1073765073.db2.gz GKMMCFVCRKQPBX-LBPRGKRZSA-N -1 0 381.414 -0.982 20 30 GBEDRM CC(C)(C)C(=O)Cn1cc(C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)nn1 ZINC000530270399 1073765361 /nfs/dbraw/zinc/76/53/61/1073765361.db2.gz IJGUSVVNTNOHRB-UHFFFAOYSA-N -1 0 385.384 -0.276 20 30 GBEDRM CNS(=O)(=O)c1cc(C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)c(C)o1 ZINC000530270467 1073766323 /nfs/dbraw/zinc/76/63/23/1073766323.db2.gz KMMJRGYDPFRLDX-UHFFFAOYSA-N -1 0 393.381 -0.673 20 30 GBEDRM CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)C1 ZINC000530270582 1073765440 /nfs/dbraw/zinc/76/54/40/1073765440.db2.gz ONSLKVAHDRKJGW-LLVKDONJSA-N -1 0 395.441 -0.734 20 30 GBEDRM CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)C1 ZINC000530270583 1073765093 /nfs/dbraw/zinc/76/50/93/1073765093.db2.gz ONSLKVAHDRKJGW-NSHDSACASA-N -1 0 395.441 -0.734 20 30 GBEDRM Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1 ZINC000530270778 1073765490 /nfs/dbraw/zinc/76/54/90/1073765490.db2.gz VENMDQHUMKSKNW-UHFFFAOYSA-N -1 0 395.379 -0.188 20 30 GBEDRM Cn1nccc1[C@@H]1[C@H](C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)CC(=O)N1C ZINC000530270941 1073765393 /nfs/dbraw/zinc/76/53/93/1073765393.db2.gz BBXZLHGAISUHEH-DOMZBBRYSA-N -1 0 397.395 -0.843 20 30 GBEDRM Cn1nccc1[C@H]1[C@H](C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)CC(=O)N1C ZINC000530270942 1073765313 /nfs/dbraw/zinc/76/53/13/1073765313.db2.gz BBXZLHGAISUHEH-IUODEOHRSA-N -1 0 397.395 -0.843 20 30 GBEDRM Cn1nccc1[C@H]1[C@@H](C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)CC(=O)N1C ZINC000530270943 1073765117 /nfs/dbraw/zinc/76/51/17/1073765117.db2.gz BBXZLHGAISUHEH-SWLSCSKDSA-N -1 0 397.395 -0.843 20 30 GBEDRM Cn1nccc1[C@@H]1[C@@H](C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)CC(=O)N1C ZINC000530270944 1073765467 /nfs/dbraw/zinc/76/54/67/1073765467.db2.gz BBXZLHGAISUHEH-WFASDCNBSA-N -1 0 397.395 -0.843 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)CN3CCc4ccccc4C3=O)C2)c(=O)[n-]c1=O ZINC000530271433 1073766495 /nfs/dbraw/zinc/76/64/95/1073766495.db2.gz JVACWYBCCAONLP-UHFFFAOYSA-N -1 0 379.376 -0.098 20 30 GBEDRM CC(C)[C@H](C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)N1CCCS1(=O)=O ZINC000530271823 1073766651 /nfs/dbraw/zinc/76/66/51/1073766651.db2.gz MUBAWJCVLKBCBO-CYBMUJFWSA-N -1 0 395.441 -0.736 20 30 GBEDRM CC(C)[C@@H](C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)N1CCCS1(=O)=O ZINC000530271824 1073766339 /nfs/dbraw/zinc/76/63/39/1073766339.db2.gz MUBAWJCVLKBCBO-ZDUSSCGKSA-N -1 0 395.441 -0.736 20 30 GBEDRM CNC(=O)COc1cccc(CC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)c1 ZINC000530271870 1073766555 /nfs/dbraw/zinc/76/65/55/1073766555.db2.gz OTOFCQXGUFUHLL-UHFFFAOYSA-N -1 0 397.391 -0.429 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)C2)c(=O)[n-]c1=O ZINC000530271883 1073766540 /nfs/dbraw/zinc/76/65/40/1073766540.db2.gz LGJDJEFZBRIXCJ-BETUJISGSA-N -1 0 383.364 -0.845 20 30 GBEDRM C[C@H](C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1)N1C(=O)c2ccccc2C1=O ZINC000530271947 1073765919 /nfs/dbraw/zinc/76/59/19/1073765919.db2.gz MMUIQKKKXLFXTD-SNVBAGLBSA-N -1 0 393.359 -0.111 20 30 GBEDRM CNC(=O)c1cccc(OCC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)c1 ZINC000530272399 1073765907 /nfs/dbraw/zinc/76/59/07/1073765907.db2.gz SSHADVSQZHBFED-UHFFFAOYSA-N -1 0 383.364 -0.358 20 30 GBEDRM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1 ZINC000530272926 1073765858 /nfs/dbraw/zinc/76/58/58/1073765858.db2.gz UVLYTJCNLKCYFW-GOSISDBHSA-N -1 0 385.380 -0.875 20 30 GBEDRM Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1 ZINC000530272927 1073766335 /nfs/dbraw/zinc/76/63/35/1073766335.db2.gz UVLYTJCNLKCYFW-SFHVURJKSA-N -1 0 385.380 -0.875 20 30 GBEDRM COc1c2cnn(C)c2ncc1C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1 ZINC000530273453 1073765887 /nfs/dbraw/zinc/76/58/87/1073765887.db2.gz ZRFWZCLGRVZRSP-UHFFFAOYSA-N -1 0 381.352 -0.192 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)Cn3nnnc3-c3ccsc3)C2)c(=O)[n-]c1=O ZINC000530273700 1073766346 /nfs/dbraw/zinc/76/63/46/1073766346.db2.gz XCNQKXNKQNNATH-UHFFFAOYSA-N -1 0 384.381 -0.381 20 30 GBEDRM Cc1[nH][nH]c(=O)c1CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000532494539 1073928162 /nfs/dbraw/zinc/92/81/62/1073928162.db2.gz KZFSHKCGERPUHF-BXUZGUMPSA-N -1 0 377.426 -0.147 20 30 GBEDRM Cc1[nH][nH]c(=O)c1CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000532494546 1073928431 /nfs/dbraw/zinc/92/84/31/1073928431.db2.gz KZFSHKCGERPUHF-FZMZJTMJSA-N -1 0 377.426 -0.147 20 30 GBEDRM Cc1[nH][nH]c(=O)c1CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000532494548 1073928183 /nfs/dbraw/zinc/92/81/83/1073928183.db2.gz KZFSHKCGERPUHF-RISCZKNCSA-N -1 0 377.426 -0.147 20 30 GBEDRM Cc1[nH][nH]c(=O)c1CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000532494550 1073928049 /nfs/dbraw/zinc/92/80/49/1073928049.db2.gz KZFSHKCGERPUHF-SMDDNHRTSA-N -1 0 377.426 -0.147 20 30 GBEDRM COC(=O)CN(CC#N)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F ZINC000542711890 530478047 /nfs/dbraw/zinc/47/80/47/530478047.db2.gz GQXXGWCAUNPEBA-UHFFFAOYSA-N -1 0 379.391 -0.116 20 30 GBEDRM COC(=O)Cn1cc(S(=O)(=O)[N-]c2[nH]nc(N3CCOCC3)c2C#N)cn1 ZINC000547714661 1072219961 /nfs/dbraw/zinc/21/99/61/1072219961.db2.gz IMIPZVVCLFNTBY-UHFFFAOYSA-N -1 0 395.401 -0.712 20 30 GBEDRM C=CCNC(=O)c1cccc(S(=O)(=O)NCCN2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000547890977 1072300621 /nfs/dbraw/zinc/30/06/21/1072300621.db2.gz UGDNHFTVYYTBAL-CYBMUJFWSA-N -1 0 395.437 -0.186 20 30 GBEDRM C=CCNC(=O)c1cccc(S(=O)(=O)NCCN2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000547890982 1072300919 /nfs/dbraw/zinc/30/09/19/1072300919.db2.gz UGDNHFTVYYTBAL-ZDUSSCGKSA-N -1 0 395.437 -0.186 20 30 GBEDRM C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C(=O)[O-])c1 ZINC000547928549 530483453 /nfs/dbraw/zinc/48/34/53/530483453.db2.gz CRCQKLBEIHDUQD-OZAJXLCCSA-N -1 0 386.451 -0.191 20 30 GBEDRM C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C(=O)[O-])c1 ZINC000547928550 530483617 /nfs/dbraw/zinc/48/36/17/530483617.db2.gz CRCQKLBEIHDUQD-RKNYENMMSA-N -1 0 386.451 -0.191 20 30 GBEDRM C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C(=O)[O-])c1 ZINC000547928551 530483509 /nfs/dbraw/zinc/48/35/09/530483509.db2.gz CRCQKLBEIHDUQD-RZFZLAGVSA-N -1 0 386.451 -0.191 20 30 GBEDRM C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C(=O)[O-])c1 ZINC000547928552 530483572 /nfs/dbraw/zinc/48/35/72/530483572.db2.gz CRCQKLBEIHDUQD-YEBMWUKDSA-N -1 0 386.451 -0.191 20 30 GBEDRM N#Cc1ccc(F)c(CS(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC000547930370 530356892 /nfs/dbraw/zinc/35/68/92/530356892.db2.gz FTTHEUUNFWRMSG-GFCCVEGCSA-N -1 0 376.387 -0.289 20 30 GBEDRM N#Cc1ccc(F)c(CS(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC000547930371 530356844 /nfs/dbraw/zinc/35/68/44/530356844.db2.gz FTTHEUUNFWRMSG-LBPRGKRZSA-N -1 0 376.387 -0.289 20 30 GBEDRM N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])c1 ZINC000548202260 530373341 /nfs/dbraw/zinc/37/33/41/530373341.db2.gz HINROSKFYAOAQA-VIFPVBQESA-N -1 0 376.188 -0.072 20 30 GBEDRM CN(CCC#N)S(=O)(=O)N1CCN(C(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000548216269 1072171743 /nfs/dbraw/zinc/17/17/43/1072171743.db2.gz IZZSZYJRXAQFDY-UHFFFAOYSA-N -1 0 387.462 -0.389 20 30 GBEDRM CN(CCC#N)S(=O)(=O)N[C@@H](Cc1cn(-c2ccccc2)nn1)C(=O)[O-] ZINC000548219462 1072171826 /nfs/dbraw/zinc/17/18/26/1072171826.db2.gz NCOAUZBMOXDYRX-AWEZNQCLSA-N -1 0 378.414 -0.057 20 30 GBEDRM CN(CCC#N)S(=O)(=O)N[C@H](Cc1cn(-c2ccccc2)nn1)C(=O)[O-] ZINC000548219463 1072171788 /nfs/dbraw/zinc/17/17/88/1072171788.db2.gz NCOAUZBMOXDYRX-CQSZACIVSA-N -1 0 378.414 -0.057 20 30 GBEDRM N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])c(F)c1 ZINC000548245560 530374376 /nfs/dbraw/zinc/37/43/76/530374376.db2.gz VEPZHYXSNNFHBI-JTQLQIEISA-N -1 0 376.387 -0.040 20 30 GBEDRM N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)[O-])c(F)c1 ZINC000548245561 530374242 /nfs/dbraw/zinc/37/42/42/530374242.db2.gz VEPZHYXSNNFHBI-SNVBAGLBSA-N -1 0 376.387 -0.040 20 30 GBEDRM C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C(N)=O)c1 ZINC000548250590 1072176283 /nfs/dbraw/zinc/17/62/83/1072176283.db2.gz QMEBVVVMQMHFFJ-GXTWGEPZSA-N -1 0 395.437 -0.058 20 30 GBEDRM C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C[C@H]2C(N)=O)c1 ZINC000548250591 1072176361 /nfs/dbraw/zinc/17/63/61/1072176361.db2.gz QMEBVVVMQMHFFJ-JSGCOSHPSA-N -1 0 395.437 -0.058 20 30 GBEDRM C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C(N)=O)c1 ZINC000548250592 1072176629 /nfs/dbraw/zinc/17/66/29/1072176629.db2.gz QMEBVVVMQMHFFJ-OCCSQVGLSA-N -1 0 395.437 -0.058 20 30 GBEDRM C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C[C@@H]2C(N)=O)c1 ZINC000548250593 1072176506 /nfs/dbraw/zinc/17/65/06/1072176506.db2.gz QMEBVVVMQMHFFJ-TZMCWYRMSA-N -1 0 395.437 -0.058 20 30 GBEDRM C=CCNC(=O)c1cccc(S(=O)(=O)NCc2cn(CC(=O)[O-])nn2)c1 ZINC000548262562 1072179184 /nfs/dbraw/zinc/17/91/84/1072179184.db2.gz JFDSECUXTVWFTD-UHFFFAOYSA-N -1 0 379.398 -0.243 20 30 GBEDRM COCCn1cc(S(=O)(=O)[N-]c2[nH]nc(N3CCOCC3)c2C#N)cn1 ZINC000548370135 1072209211 /nfs/dbraw/zinc/20/92/11/1072209211.db2.gz WVLFLUXGFPTTIM-UHFFFAOYSA-N -1 0 381.418 -0.238 20 30 GBEDRM CNC(=O)c1cc(S(=O)(=O)[N-]c2[nH]nc(N3CCOCC3)c2C#N)cn1C ZINC000548370166 1072209324 /nfs/dbraw/zinc/20/93/24/1072209324.db2.gz MLWZVBXIEBNGNP-UHFFFAOYSA-N -1 0 393.429 -0.383 20 30 GBEDRM Cn1cc(S(=O)(=O)[N-]c2[nH]nc(N3CCOCC3)c2C#N)cc1C(N)=O ZINC000548370311 1072208847 /nfs/dbraw/zinc/20/88/47/1072208847.db2.gz GXEIWRYMAHGAHY-UHFFFAOYSA-N -1 0 379.402 -0.644 20 30 GBEDRM N#Cc1cc(Br)cc(S(=O)(=O)NCC(=O)NCC(=O)[O-])c1 ZINC000548524970 530448421 /nfs/dbraw/zinc/44/84/21/530448421.db2.gz KLEUEZFJAKILKG-UHFFFAOYSA-N -1 0 376.188 -0.200 20 30 GBEDRM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1[nH]nc(N2CCOCC2)c1C#N ZINC000548698091 1072320075 /nfs/dbraw/zinc/32/00/75/1072320075.db2.gz LVJOJNFQWLGYNT-UHFFFAOYSA-N -1 0 395.401 -0.181 20 30 GBEDRM N#Cc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc1Br ZINC000562409547 530107325 /nfs/dbraw/zinc/10/73/25/530107325.db2.gz FWMCNLCPSAYLQU-VIFPVBQESA-N -1 0 376.188 -0.072 20 30 GBEDRM N#Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)[O-])cc1Br ZINC000562409962 530107309 /nfs/dbraw/zinc/10/73/09/530107309.db2.gz HIUPWURYULDWAW-UHFFFAOYSA-N -1 0 376.188 -0.200 20 30 GBEDRM C=CCNC(=O)CN1CCN(C(=O)C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000563131569 1072278624 /nfs/dbraw/zinc/27/86/24/1072278624.db2.gz LUEUZCYDBSGGJG-KBPBESRZSA-N -1 0 380.445 -0.998 20 30 GBEDRM Cn1cc(C#N)c([N-]S(=O)(=O)CCCS(=O)(=O)NCC(C)(F)F)n1 ZINC000563638210 530207979 /nfs/dbraw/zinc/20/79/79/530207979.db2.gz WYUYLSVWINTOEX-UHFFFAOYSA-N -1 0 385.418 -0.002 20 30 GBEDRM C=CCOC[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000564926081 530096374 /nfs/dbraw/zinc/09/63/74/530096374.db2.gz FNXSSKXUOSHWON-CYBMUJFWSA-N -1 0 392.455 -0.129 20 30 GBEDRM C=CCOC[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC000564926086 530096138 /nfs/dbraw/zinc/09/61/38/530096138.db2.gz FNXSSKXUOSHWON-ZDUSSCGKSA-N -1 0 392.455 -0.129 20 30 GBEDRM Cc1c(I)cn(CC(=O)NCC(=O)[O-])c(=O)c1C#N ZINC000564983564 530134748 /nfs/dbraw/zinc/13/47/48/530134748.db2.gz ALTOTPKXGDWSSZ-UHFFFAOYSA-N -1 0 375.122 -0.166 20 30 GBEDRM COCCN(CCC#N)S(=O)(=O)N1CC[C@H](N2C[C@H](C(=O)[O-])CC2=O)C1 ZINC000565055576 1072493484 /nfs/dbraw/zinc/49/34/84/1072493484.db2.gz RIPRTVSFQZBHRC-OLZOCXBDSA-N -1 0 388.446 -0.899 20 30 GBEDRM COCCN(CCC#N)S(=O)(=O)N1CC[C@H](N2C[C@@H](C(=O)[O-])CC2=O)C1 ZINC000565055585 1072493104 /nfs/dbraw/zinc/49/31/04/1072493104.db2.gz RIPRTVSFQZBHRC-STQMWFEESA-N -1 0 388.446 -0.899 20 30 GBEDRM C=CCOC[C@@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000567808666 530501582 /nfs/dbraw/zinc/50/15/82/530501582.db2.gz YONSSTMTWDTYMQ-GFCCVEGCSA-N -1 0 384.476 -0.767 20 30 GBEDRM C=CCOC[C@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)C(=O)[O-] ZINC000567808667 530501452 /nfs/dbraw/zinc/50/14/52/530501452.db2.gz YONSSTMTWDTYMQ-LBPRGKRZSA-N -1 0 384.476 -0.767 20 30 GBEDRM CC(=O)NCCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)C(=O)[O-] ZINC000568762134 1073587809 /nfs/dbraw/zinc/58/78/09/1073587809.db2.gz YACLOIOHMQJFJZ-LLVKDONJSA-N -1 0 396.425 -0.726 20 30 GBEDRM CC(=O)NCCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)C(=O)[O-] ZINC000568762135 1073587612 /nfs/dbraw/zinc/58/76/12/1073587612.db2.gz YACLOIOHMQJFJZ-NSHDSACASA-N -1 0 396.425 -0.726 20 30 GBEDRM C=CCOC[C@@H](NS(=O)(=O)CCNS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000569924948 530119890 /nfs/dbraw/zinc/11/98/90/530119890.db2.gz SFTALORZHHSCGJ-CYBMUJFWSA-N -1 0 392.455 -0.460 20 30 GBEDRM C=CCOC[C@H](NS(=O)(=O)CCNS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000569924949 530119678 /nfs/dbraw/zinc/11/96/78/530119678.db2.gz SFTALORZHHSCGJ-ZDUSSCGKSA-N -1 0 392.455 -0.460 20 30 GBEDRM Cc1ccc(NC(=O)Cn2c(=O)[n-]cc(C#N)c2=O)cc1S(=O)(=O)N(C)C ZINC000572403558 1073696865 /nfs/dbraw/zinc/69/68/65/1073696865.db2.gz PVZKGEZYVNMRBO-UHFFFAOYSA-N -1 0 391.409 -0.394 20 30 GBEDRM CS(=O)(=O)NCCc1ccc(C(=O)Cn2c(=O)[n-]cc(C#N)c2=O)s1 ZINC000574572096 530272687 /nfs/dbraw/zinc/27/26/87/530272687.db2.gz WPJLPQSUBQTZKK-UHFFFAOYSA-N -1 0 382.423 -0.556 20 30 GBEDRM N#Cc1cc(F)ccc1CS(=O)(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC000574575951 530272737 /nfs/dbraw/zinc/27/27/37/530272737.db2.gz AZTIVODXLFGRTN-GFCCVEGCSA-N -1 0 376.387 -0.289 20 30 GBEDRM N#Cc1cc(F)ccc1CS(=O)(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC000574575952 530272459 /nfs/dbraw/zinc/27/24/59/530272459.db2.gz AZTIVODXLFGRTN-LBPRGKRZSA-N -1 0 376.387 -0.289 20 30 GBEDRM C=CCOC[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(=O)[O-] ZINC000576276889 530510364 /nfs/dbraw/zinc/51/03/64/530510364.db2.gz DKOQFMPWIVLYMU-LLVKDONJSA-N -1 0 392.455 -0.129 20 30 GBEDRM C=CCOC[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(=O)[O-] ZINC000576276890 530510470 /nfs/dbraw/zinc/51/04/70/530510470.db2.gz DKOQFMPWIVLYMU-NSHDSACASA-N -1 0 392.455 -0.129 20 30 GBEDRM C=CCOC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)[O-] ZINC000577507778 530512972 /nfs/dbraw/zinc/51/29/72/530512972.db2.gz VHCPNJAARDDAKX-CYBMUJFWSA-N -1 0 392.455 -0.129 20 30 GBEDRM C=CCOC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)[O-] ZINC000577507779 530512678 /nfs/dbraw/zinc/51/26/78/530512678.db2.gz VHCPNJAARDDAKX-ZDUSSCGKSA-N -1 0 392.455 -0.129 20 30 GBEDRM C=CCOC[C@@H](NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2)C(=O)[O-] ZINC000578067343 530099378 /nfs/dbraw/zinc/09/93/78/530099378.db2.gz ILPGXOXFIUVHDR-GFCCVEGCSA-N -1 0 375.424 -0.050 20 30 GBEDRM C=CCOC[C@H](NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2)C(=O)[O-] ZINC000578067344 530099381 /nfs/dbraw/zinc/09/93/81/530099381.db2.gz ILPGXOXFIUVHDR-LBPRGKRZSA-N -1 0 375.424 -0.050 20 30 GBEDRM N#Cc1ccc(S(=O)(=O)N[C@H](CC(N)=O)C(=O)[O-])cc1Br ZINC000579191010 530083484 /nfs/dbraw/zinc/08/34/84/530083484.db2.gz FWMCNLCPSAYLQU-SECBINFHSA-N -1 0 376.188 -0.072 20 30 GBEDRM C[C@@H]1CCCN(C(=O)C2CCN(C(=O)Cn3c(=O)[n-]cc(C#N)c3=O)CC2)C1 ZINC000580893367 1072509656 /nfs/dbraw/zinc/50/96/56/1072509656.db2.gz WUFLIZBCVJHLHR-CYBMUJFWSA-N -1 0 387.440 -0.095 20 30 GBEDRM C[C@H]1CCCN(C(=O)C2CCN(C(=O)Cn3c(=O)[n-]cc(C#N)c3=O)CC2)C1 ZINC000580893368 1072925374 /nfs/dbraw/zinc/92/53/74/1072925374.db2.gz WUFLIZBCVJHLHR-ZDUSSCGKSA-N -1 0 387.440 -0.095 20 30 GBEDRM N#Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)[O-])C2CCOCC2)cc1 ZINC000581072631 1072926727 /nfs/dbraw/zinc/92/67/27/1072926727.db2.gz YHXBDHYGHHAUEV-UHFFFAOYSA-N -1 0 381.410 -0.071 20 30 GBEDRM C=CCOC[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)NCC)C(=O)[O-] ZINC000581368058 530104000 /nfs/dbraw/zinc/10/40/00/530104000.db2.gz ILEJEOKLBWWJRO-LLVKDONJSA-N -1 0 392.455 -0.081 20 30 GBEDRM C=CCOC[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)NCC)C(=O)[O-] ZINC000581368059 530103943 /nfs/dbraw/zinc/10/39/43/530103943.db2.gz ILEJEOKLBWWJRO-NSHDSACASA-N -1 0 392.455 -0.081 20 30 GBEDRM N#CCC1(O)CN(S(=O)(=O)c2ccc(S(=O)(=O)[N-]c3cn[nH]c3)cc2)C1 ZINC000582856707 1072408622 /nfs/dbraw/zinc/40/86/22/1072408622.db2.gz SDMFELMLPVCESU-UHFFFAOYSA-N -1 0 397.438 -0.140 20 30 GBEDRM N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cc1 ZINC000583784300 1072504156 /nfs/dbraw/zinc/50/41/56/1072504156.db2.gz XJSRRKMCHYGUMJ-GFCCVEGCSA-N -1 0 375.414 -0.244 20 30 GBEDRM N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](c3nnn[n-]3)C2)cc1 ZINC000583784301 1072503741 /nfs/dbraw/zinc/50/37/41/1072503741.db2.gz XJSRRKMCHYGUMJ-LBPRGKRZSA-N -1 0 375.414 -0.244 20 30 GBEDRM CCOC(=O)Cn1cnc(=NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)[n-]1 ZINC000584049868 1072526485 /nfs/dbraw/zinc/52/64/85/1072526485.db2.gz YIZKWJWGYJDXCO-UHFFFAOYSA-N -1 0 375.393 -0.463 20 30 GBEDRM COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000591569426 974971649 /nfs/dbraw/zinc/97/16/49/974971649.db2.gz POPOFWXAJGGDNK-HNNXBMFYSA-N -1 0 375.381 -0.155 20 30 GBEDRM COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000591569427 974971997 /nfs/dbraw/zinc/97/19/97/974971997.db2.gz POPOFWXAJGGDNK-OAHLLOKOSA-N -1 0 375.381 -0.155 20 30 GBEDRM N#Cc1ccc(S(=O)(=O)NCC(=O)NCC2(C(=O)[O-])CCOCC2)cc1 ZINC000592469024 974975979 /nfs/dbraw/zinc/97/59/79/974975979.db2.gz UEQHTUNHSWGRCR-UHFFFAOYSA-N -1 0 381.410 -0.166 20 30 GBEDRM COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000593274535 974981307 /nfs/dbraw/zinc/98/13/07/974981307.db2.gz SWIPYISLFNCRMH-GFCCVEGCSA-N -1 0 386.434 -0.280 20 30 GBEDRM COCCN(CCC#N)S(=O)(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000593274537 974981181 /nfs/dbraw/zinc/98/11/81/974981181.db2.gz SWIPYISLFNCRMH-LBPRGKRZSA-N -1 0 386.434 -0.280 20 30 GBEDRM Cn1cnc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CC(C#N)C3)cc2)n1 ZINC000594501381 530165191 /nfs/dbraw/zinc/16/51/91/530165191.db2.gz ZPKACEPQHJOOIS-UHFFFAOYSA-N -1 0 382.427 -0.240 20 30 GBEDRM Cn1cnc([N-]S(=O)(=O)c2cccc(S(=O)(=O)N3CC(C#N)C3)c2)n1 ZINC000594631995 530167029 /nfs/dbraw/zinc/16/70/29/530167029.db2.gz VYZNKMQMSLSNEQ-UHFFFAOYSA-N -1 0 382.427 -0.240 20 30 GBEDRM N#Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCCO2)s1 ZINC000594635663 530171299 /nfs/dbraw/zinc/17/12/99/530171299.db2.gz ADFKBYPYANZARA-UHFFFAOYSA-N -1 0 380.473 0.504 20 30 GBEDRM C[C@@H]1[C@H](O)CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C#N)s1 ZINC000594635679 530169744 /nfs/dbraw/zinc/16/97/44/530169744.db2.gz LHUBMUNOKLWGOH-MWLCHTKSSA-N -1 0 394.500 -0.069 20 30 GBEDRM CN(C1(CO)CC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C#N)s1 ZINC000594636025 530170226 /nfs/dbraw/zinc/17/02/26/530170226.db2.gz DLVKIWQCBUOPDQ-UHFFFAOYSA-N -1 0 394.500 -0.067 20 30 GBEDRM CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C#N)s1 ZINC000594636026 530168454 /nfs/dbraw/zinc/16/84/54/530168454.db2.gz JRHHHPCWDHRBGX-UHFFFAOYSA-N -1 0 376.485 0.431 20 30 GBEDRM C[C@@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C#N)s1 ZINC000594636031 530178959 /nfs/dbraw/zinc/17/89/59/530178959.db2.gz RUJNUGCCNPREPP-SECBINFHSA-N -1 0 382.489 -0.211 20 30 GBEDRM COC[C@@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C#N)s1 ZINC000594636216 530175183 /nfs/dbraw/zinc/17/51/83/530175183.db2.gz HSWGCNFAWTVOPD-JTQLQIEISA-N -1 0 394.500 0.197 20 30 GBEDRM COC[C@H]1CCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C#N)s1 ZINC000594636217 530175139 /nfs/dbraw/zinc/17/51/39/530175139.db2.gz HSWGCNFAWTVOPD-SNVBAGLBSA-N -1 0 394.500 0.197 20 30 GBEDRM C[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C#N)s1 ZINC000594636239 530168514 /nfs/dbraw/zinc/16/85/14/530168514.db2.gz XMYFDEMYYWIQGT-NXEZZACHSA-N -1 0 394.500 -0.069 20 30 GBEDRM C[C@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C#N)s1 ZINC000594636240 530171114 /nfs/dbraw/zinc/17/11/14/530171114.db2.gz XMYFDEMYYWIQGT-UWVGGRQHSA-N -1 0 394.500 -0.069 20 30 GBEDRM C[C@H]1C[C@@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C#N)s1 ZINC000594636241 530171305 /nfs/dbraw/zinc/17/13/05/530171305.db2.gz XMYFDEMYYWIQGT-VHSXEESVSA-N -1 0 394.500 -0.069 20 30 GBEDRM C[C@@H]1C[C@H](O)CN1S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C#N)s1 ZINC000594636242 530169281 /nfs/dbraw/zinc/16/92/81/530169281.db2.gz XMYFDEMYYWIQGT-ZJUUUORDSA-N -1 0 394.500 -0.069 20 30 GBEDRM CC1(F)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncc(C#N)s2)C1 ZINC000594636287 530173466 /nfs/dbraw/zinc/17/34/66/530173466.db2.gz MMENSUJYLBLPIO-UHFFFAOYSA-N -1 0 382.464 0.520 20 30 GBEDRM Cn1cc(C#N)c([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C)(F)C2)n1 ZINC000594636293 530447826 /nfs/dbraw/zinc/44/78/26/530447826.db2.gz NMSLURQUELTVDC-UHFFFAOYSA-N -1 0 379.439 -0.203 20 30 GBEDRM CN(C1CC(O)C1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C#N)s1 ZINC000594636297 530170531 /nfs/dbraw/zinc/17/05/31/530170531.db2.gz OWQOGJYUKBBMCP-UHFFFAOYSA-N -1 0 394.500 -0.069 20 30 GBEDRM N#Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](F)C2)s1 ZINC000594636968 530171191 /nfs/dbraw/zinc/17/11/91/530171191.db2.gz BKUUVTSELZTPNW-SECBINFHSA-N -1 0 382.464 0.520 20 30 GBEDRM N#Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@H](F)C2)s1 ZINC000594636969 530171389 /nfs/dbraw/zinc/17/13/89/530171389.db2.gz BKUUVTSELZTPNW-VIFPVBQESA-N -1 0 382.464 0.520 20 30 GBEDRM CN([C@H]1CCOC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C#N)s1 ZINC000594637020 530170360 /nfs/dbraw/zinc/17/03/60/530170360.db2.gz QFIHTVOWRWFVMR-JTQLQIEISA-N -1 0 394.500 0.197 20 30 GBEDRM CN([C@@H]1CCOC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C#N)s1 ZINC000594637021 530170797 /nfs/dbraw/zinc/17/07/97/530170797.db2.gz QFIHTVOWRWFVMR-SNVBAGLBSA-N -1 0 394.500 0.197 20 30 GBEDRM CCOC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncc(C#N)s2)C1 ZINC000594637090 530176294 /nfs/dbraw/zinc/17/62/94/530176294.db2.gz DSCJHAAZEITDNZ-UHFFFAOYSA-N -1 0 394.500 0.197 20 30 GBEDRM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncc(C#N)s2)C[C@H]1O ZINC000594637103 530171120 /nfs/dbraw/zinc/17/11/20/530171120.db2.gz MAFUUVQGGRQKHN-GXSJLCMTSA-N -1 0 394.500 -0.211 20 30 GBEDRM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncc(C#N)s2)C[C@@H]1O ZINC000594637104 530168571 /nfs/dbraw/zinc/16/85/71/530168571.db2.gz MAFUUVQGGRQKHN-KOLCDFICSA-N -1 0 394.500 -0.211 20 30 GBEDRM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncc(C#N)s2)C[C@H]1O ZINC000594637105 530168637 /nfs/dbraw/zinc/16/86/37/530168637.db2.gz MAFUUVQGGRQKHN-MWLCHTKSSA-N -1 0 394.500 -0.211 20 30 GBEDRM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncc(C#N)s2)C[C@@H]1O ZINC000594637106 530171025 /nfs/dbraw/zinc/17/10/25/530171025.db2.gz MAFUUVQGGRQKHN-ONGXEEELSA-N -1 0 394.500 -0.211 20 30 GBEDRM COC1(C)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncc(C#N)s2)C1 ZINC000594637107 530174355 /nfs/dbraw/zinc/17/43/55/530174355.db2.gz OGIJAOXJQTVOFZ-UHFFFAOYSA-N -1 0 394.500 0.197 20 30 GBEDRM N#Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCOC2)s1 ZINC000594637119 530171090 /nfs/dbraw/zinc/17/10/90/530171090.db2.gz CDTUZMCEHFXYDI-UHFFFAOYSA-N -1 0 380.473 0.156 20 30 GBEDRM CO[C@H]1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncc(C#N)s2)C1 ZINC000594637124 530175721 /nfs/dbraw/zinc/17/57/21/530175721.db2.gz MUUVSUUAVNFGPA-JTQLQIEISA-N -1 0 394.500 0.197 20 30 GBEDRM C[C@H](CO)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C#N)s1 ZINC000594637125 530170296 /nfs/dbraw/zinc/17/02/96/530170296.db2.gz QOFRKQQHOMHYAH-SECBINFHSA-N -1 0 382.489 -0.211 20 30 GBEDRM N#Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCSCC2)s1 ZINC000594637129 530171499 /nfs/dbraw/zinc/17/14/99/530171499.db2.gz BSFBNWITRFQEFF-UHFFFAOYSA-N -1 0 396.541 0.525 20 30 GBEDRM N#Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[C@@H]2CO)s1 ZINC000594637130 530171220 /nfs/dbraw/zinc/17/12/20/530171220.db2.gz KDJLDCZALPWXFG-SNVBAGLBSA-N -1 0 394.500 -0.067 20 30 GBEDRM N#Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCC[C@H]2O)s1 ZINC000594637156 530171433 /nfs/dbraw/zinc/17/14/33/530171433.db2.gz MWLHVBOCICQYED-GHMZBOCLSA-N -1 0 394.500 -0.021 20 30 GBEDRM CN1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncc(C#N)s2)CC1 ZINC000594637157 530170374 /nfs/dbraw/zinc/17/03/74/530170374.db2.gz NCCMBSUWMJIJTA-UHFFFAOYSA-N -1 0 393.516 -0.276 20 30 GBEDRM N#Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]2CCCO2)s1 ZINC000594637159 530171396 /nfs/dbraw/zinc/17/13/96/530171396.db2.gz VQOADVGNUDWHFN-SNVBAGLBSA-N -1 0 394.500 0.245 20 30 GBEDRM N#Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCOCC2)s1 ZINC000594637180 530171413 /nfs/dbraw/zinc/17/14/13/530171413.db2.gz IRKCGUURIIUIEW-UHFFFAOYSA-N -1 0 394.500 0.199 20 30 GBEDRM CC1(C#N)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncc(C#N)s2)C1 ZINC000594637376 530173165 /nfs/dbraw/zinc/17/31/65/530173165.db2.gz KYIUBGQUPOJTAW-UHFFFAOYSA-N -1 0 389.484 0.322 20 30 GBEDRM C[C@@H](CO)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C#N)s1 ZINC000594637397 530178571 /nfs/dbraw/zinc/17/85/71/530178571.db2.gz QOFRKQQHOMHYAH-VIFPVBQESA-N -1 0 382.489 -0.211 20 30 GBEDRM N#Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCOC2)s1 ZINC000594637491 530171495 /nfs/dbraw/zinc/17/14/95/530171495.db2.gz FJQFLPWTTHOSNG-SECBINFHSA-N -1 0 380.473 -0.145 20 30 GBEDRM N#Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCSC2)s1 ZINC000594637506 530172036 /nfs/dbraw/zinc/17/20/36/530172036.db2.gz ZCSGBLSSPDTLHD-SECBINFHSA-N -1 0 396.541 0.571 20 30 GBEDRM N#Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCSC2)s1 ZINC000594637507 530171750 /nfs/dbraw/zinc/17/17/50/530171750.db2.gz ZCSGBLSSPDTLHD-VIFPVBQESA-N -1 0 396.541 0.571 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H](C)C(C)(C)O)c1C#N ZINC000594637510 530447869 /nfs/dbraw/zinc/44/78/69/530447869.db2.gz CGJFVCPOVNLANZ-JTQLQIEISA-N -1 0 393.491 -0.200 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H](C)C(C)(C)O)c1C#N ZINC000594637511 530448026 /nfs/dbraw/zinc/44/80/26/530448026.db2.gz CGJFVCPOVNLANZ-SNVBAGLBSA-N -1 0 393.491 -0.200 20 30 GBEDRM CC1(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2ncc(C#N)s2)COC1 ZINC000594637535 530173341 /nfs/dbraw/zinc/17/33/41/530173341.db2.gz NGRJWVPLNRMHSA-UHFFFAOYSA-N -1 0 394.500 0.102 20 30 GBEDRM C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1nn(C)cc1C#N)C(C)(C)O ZINC000594637537 530447913 /nfs/dbraw/zinc/44/79/13/530447913.db2.gz NTFOWHVPCNMXNN-JTQLQIEISA-N -1 0 393.491 -0.498 20 30 GBEDRM C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1nn(C)cc1C#N)C(C)(C)O ZINC000594637538 530447662 /nfs/dbraw/zinc/44/76/62/530447662.db2.gz NTFOWHVPCNMXNN-SNVBAGLBSA-N -1 0 393.491 -0.498 20 30 GBEDRM C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C#N)s1)C(C)(C)O ZINC000594637550 530178855 /nfs/dbraw/zinc/17/88/55/530178855.db2.gz UIFIZQHDKGGRON-SECBINFHSA-N -1 0 396.516 0.225 20 30 GBEDRM C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C#N)s1)C(C)(C)O ZINC000594637551 530170538 /nfs/dbraw/zinc/17/05/38/530170538.db2.gz UIFIZQHDKGGRON-VIFPVBQESA-N -1 0 396.516 0.225 20 30 GBEDRM C[C@H](CC#N)NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C#N)s1 ZINC000594637552 530169595 /nfs/dbraw/zinc/16/95/95/530169595.db2.gz UZZQUWHGVOGVNT-SECBINFHSA-N -1 0 377.473 0.368 20 30 GBEDRM C[C@@H](CC#N)NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C#N)s1 ZINC000594637553 530178797 /nfs/dbraw/zinc/17/87/97/530178797.db2.gz UZZQUWHGVOGVNT-VIFPVBQESA-N -1 0 377.473 0.368 20 30 GBEDRM N#Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCCOC2)s1 ZINC000594637559 530171729 /nfs/dbraw/zinc/17/17/29/530171729.db2.gz WEZGUNBJDFNHMA-JTQLQIEISA-N -1 0 394.500 0.245 20 30 GBEDRM N#Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCCOC2)s1 ZINC000594637560 530171164 /nfs/dbraw/zinc/17/11/64/530171164.db2.gz WEZGUNBJDFNHMA-SNVBAGLBSA-N -1 0 394.500 0.245 20 30 GBEDRM N#Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CCOC2)s1 ZINC000594637597 530171017 /nfs/dbraw/zinc/17/10/17/530171017.db2.gz AZMWTLRNUGEODT-JTQLQIEISA-N -1 0 394.500 0.102 20 30 GBEDRM N#Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]2CCOC2)s1 ZINC000594637598 530171258 /nfs/dbraw/zinc/17/12/58/530171258.db2.gz AZMWTLRNUGEODT-SNVBAGLBSA-N -1 0 394.500 0.102 20 30 GBEDRM N#Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NC2CCOCC2)s1 ZINC000594637603 530171408 /nfs/dbraw/zinc/17/14/08/530171408.db2.gz GARXAMRKQNKUDN-UHFFFAOYSA-N -1 0 394.500 0.245 20 30 GBEDRM N#Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CCCO2)s1 ZINC000594637660 530171139 /nfs/dbraw/zinc/17/11/39/530171139.db2.gz VQOADVGNUDWHFN-JTQLQIEISA-N -1 0 394.500 0.245 20 30 GBEDRM N#Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2(O)CCC2)s1 ZINC000594637665 530171402 /nfs/dbraw/zinc/17/14/02/530171402.db2.gz XSSUMECDIGLBLY-UHFFFAOYSA-N -1 0 394.500 -0.019 20 30 GBEDRM C[C@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C#N)s1 ZINC000594637752 530169641 /nfs/dbraw/zinc/16/96/41/530169641.db2.gz DTYSDLAETGFPST-SECBINFHSA-N -1 0 377.473 0.226 20 30 GBEDRM C[C@@H](C#N)CNS(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C#N)s1 ZINC000594637753 530179051 /nfs/dbraw/zinc/17/90/51/530179051.db2.gz DTYSDLAETGFPST-VIFPVBQESA-N -1 0 377.473 0.226 20 30 GBEDRM CC(C)(O)CNS(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C#N)s1 ZINC000594637771 530170765 /nfs/dbraw/zinc/17/07/65/530170765.db2.gz WTNQXBZEYOYZPN-UHFFFAOYSA-N -1 0 382.489 -0.163 20 30 GBEDRM N#Cc1cnc([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@H]2CCOC2)s1 ZINC000594637773 530171030 /nfs/dbraw/zinc/17/10/30/530171030.db2.gz YKDBAMORPKKGTI-JTQLQIEISA-N -1 0 394.500 0.245 20 30 GBEDRM N#Cc1cnc([N-]S(=O)(=O)CCCCS(=O)(=O)N[C@@H]2CCOC2)s1 ZINC000594637774 530171393 /nfs/dbraw/zinc/17/13/93/530171393.db2.gz YKDBAMORPKKGTI-SNVBAGLBSA-N -1 0 394.500 0.245 20 30 GBEDRM N#Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCC[C@H]2CO)s1 ZINC000594637862 530171011 /nfs/dbraw/zinc/17/10/11/530171011.db2.gz KDJLDCZALPWXFG-JTQLQIEISA-N -1 0 394.500 -0.067 20 30 GBEDRM C[C@H](O)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C#N)s1 ZINC000594637893 530170275 /nfs/dbraw/zinc/17/02/75/530170275.db2.gz RUJNUGCCNPREPP-VIFPVBQESA-N -1 0 382.489 -0.211 20 30 GBEDRM C[C@@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C#N)s1 ZINC000594637925 530179082 /nfs/dbraw/zinc/17/90/82/530179082.db2.gz XMDJPHFBUNMOPI-JTQLQIEISA-N -1 0 391.500 0.568 20 30 GBEDRM C[C@H](C#N)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C#N)s1 ZINC000594637926 530169290 /nfs/dbraw/zinc/16/92/90/530169290.db2.gz XMDJPHFBUNMOPI-SNVBAGLBSA-N -1 0 391.500 0.568 20 30 GBEDRM C[C@@]1(O)C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ncc(C#N)s2)C1 ZINC000594638590 530169878 /nfs/dbraw/zinc/16/98/78/530169878.db2.gz YOTJTQMGSJIANS-WVSHTKLVSA-N -1 0 394.500 -0.021 20 30 GBEDRM N#Cc1cnc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CCCOC2)s1 ZINC000594638754 530171005 /nfs/dbraw/zinc/17/10/05/530171005.db2.gz PTXQUICUIGNPFA-UHFFFAOYSA-N -1 0 394.500 0.546 20 30 GBEDRM CN(C)C1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncc(C#N)s2)C1 ZINC000594638771 530169853 /nfs/dbraw/zinc/16/98/53/530169853.db2.gz DHQWVRROIBPPEJ-UHFFFAOYSA-N -1 0 393.516 -0.278 20 30 GBEDRM N#Cc1cnc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC(C#N)C2)s1 ZINC000594638778 530171125 /nfs/dbraw/zinc/17/11/25/530171125.db2.gz VNRQIFJDKAWUTK-UHFFFAOYSA-N -1 0 389.484 0.322 20 30 GBEDRM CN(CC(C)(C)O)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C#N)s1 ZINC000594638779 530170637 /nfs/dbraw/zinc/17/06/37/530170637.db2.gz LBCHAUZTRGUOND-UHFFFAOYSA-N -1 0 396.516 0.179 20 30 GBEDRM N#Cc1cnc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CCOC2)s1 ZINC000594638789 530171076 /nfs/dbraw/zinc/17/10/76/530171076.db2.gz ZRYIILDLINWEEA-UHFFFAOYSA-N -1 0 380.473 0.156 20 30 GBEDRM N#Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)s1 ZINC000594638805 530171133 /nfs/dbraw/zinc/17/11/33/530171133.db2.gz WNHUOIKOZIXETN-UHFFFAOYSA-N -1 0 375.457 -0.068 20 30 GBEDRM CC1(O)CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2ncc(C#N)s2)C1 ZINC000594639023 530173701 /nfs/dbraw/zinc/17/37/01/530173701.db2.gz FKAGATDNSYYNMB-UHFFFAOYSA-N -1 0 394.500 -0.067 20 30 GBEDRM N#Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCOC2)s1 ZINC000594640168 530171789 /nfs/dbraw/zinc/17/17/89/530171789.db2.gz FJQFLPWTTHOSNG-VIFPVBQESA-N -1 0 380.473 -0.145 20 30 GBEDRM C[C@@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ncc(C#N)s2)CO1 ZINC000594640192 530168644 /nfs/dbraw/zinc/16/86/44/530168644.db2.gz KHMFLDJKGIUWLV-NXEZZACHSA-N -1 0 394.500 0.243 20 30 GBEDRM C[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ncc(C#N)s2)CO1 ZINC000594640193 530171353 /nfs/dbraw/zinc/17/13/53/530171353.db2.gz KHMFLDJKGIUWLV-UWVGGRQHSA-N -1 0 394.500 0.243 20 30 GBEDRM C[C@H]1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ncc(C#N)s2)CO1 ZINC000594640194 530170989 /nfs/dbraw/zinc/17/09/89/530170989.db2.gz KHMFLDJKGIUWLV-VHSXEESVSA-N -1 0 394.500 0.243 20 30 GBEDRM C[C@@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ncc(C#N)s2)CO1 ZINC000594640195 530169158 /nfs/dbraw/zinc/16/91/58/530169158.db2.gz KHMFLDJKGIUWLV-ZJUUUORDSA-N -1 0 394.500 0.243 20 30 GBEDRM N#Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2(C#N)CC2)s1 ZINC000594640204 530171286 /nfs/dbraw/zinc/17/12/86/530171286.db2.gz OCWRSDAAWFYRJN-UHFFFAOYSA-N -1 0 389.484 0.370 20 30 GBEDRM N#Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2[C@@H]3COC[C@@H]32)s1 ZINC000594640215 530171723 /nfs/dbraw/zinc/17/17/23/530171723.db2.gz PDURZXBEYYXIKC-URLYPYJESA-N -1 0 392.484 -0.289 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(CC#N)C2)c1C#N ZINC000595963684 530174763 /nfs/dbraw/zinc/17/47/63/530174763.db2.gz CWLXFYMQQOYULH-UHFFFAOYSA-N -1 0 386.459 -0.103 20 30 GBEDRM N#CCC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncc(C#N)s2)C1 ZINC000595964036 530170810 /nfs/dbraw/zinc/17/08/10/530170810.db2.gz DWKDLWPGQVEJPK-UHFFFAOYSA-N -1 0 389.484 0.322 20 30 GBEDRM CSc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(CC#N)C2)n[nH]1 ZINC000595964428 530174687 /nfs/dbraw/zinc/17/46/87/530174687.db2.gz IXSLIFKMEILPDB-UHFFFAOYSA-N -1 0 394.504 -0.166 20 30 GBEDRM COc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(CC#N)C2)nc1 ZINC000595964708 530174402 /nfs/dbraw/zinc/17/44/02/530174402.db2.gz MBPRNOYFPHYHGM-UHFFFAOYSA-N -1 0 389.459 -0.208 20 30 GBEDRM COc1cncnc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC(CC#N)C1 ZINC000595965140 530174561 /nfs/dbraw/zinc/17/45/61/530174561.db2.gz MYNXUKMFMXAHDT-UHFFFAOYSA-N -1 0 389.459 -0.208 20 30 GBEDRM COc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(CC#N)C2)ncn1 ZINC000595965156 530174633 /nfs/dbraw/zinc/17/46/33/530174633.db2.gz NOCJQZDHSRRQPR-UHFFFAOYSA-N -1 0 389.459 -0.208 20 30 GBEDRM CCc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(CC#N)C2)no1 ZINC000595965667 530174626 /nfs/dbraw/zinc/17/46/26/530174626.db2.gz RPRGOBAEPRFVEI-UHFFFAOYSA-N -1 0 377.448 -0.061 20 30 GBEDRM COc1cncc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(CC#N)C2)n1 ZINC000595966448 530177400 /nfs/dbraw/zinc/17/74/00/530177400.db2.gz ZWMHBKYGIOWFBK-UHFFFAOYSA-N -1 0 389.459 -0.208 20 30 GBEDRM N#Cc1sccc1N1CCN(C(=O)C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000595974587 974996696 /nfs/dbraw/zinc/99/66/96/974996696.db2.gz GUBAOZLYOVDQMJ-GFCCVEGCSA-N -1 0 378.410 -0.420 20 30 GBEDRM N#Cc1sccc1N1CCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000595974594 974996734 /nfs/dbraw/zinc/99/67/34/974996734.db2.gz GUBAOZLYOVDQMJ-LBPRGKRZSA-N -1 0 378.410 -0.420 20 30 GBEDRM CN(C)S(=O)(=O)N1CC([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000599500867 530080462 /nfs/dbraw/zinc/08/04/62/530080462.db2.gz CDRRCJMLOCATQD-UHFFFAOYSA-N -1 0 380.398 -0.395 20 30 GBEDRM CO[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2n[nH]c(C)c2C#N)C1 ZINC000600766885 530113994 /nfs/dbraw/zinc/11/39/94/530113994.db2.gz NLOYYPQSKRNEKD-XYPYZODXSA-N -1 0 391.475 -0.182 20 30 GBEDRM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]2C[C@@H](O)C2)c1C#N ZINC000600766940 530114124 /nfs/dbraw/zinc/11/41/24/530114124.db2.gz OGTKDPBJGIQINA-PHIMTYICSA-N -1 0 391.475 -0.588 20 30 GBEDRM CO[C@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2nn(C)cc2C#N)C1 ZINC000600767472 530114321 /nfs/dbraw/zinc/11/43/21/530114321.db2.gz QTGATCDUKSOGJK-HAQNSBGRSA-N -1 0 391.475 -0.480 20 30 GBEDRM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)[N-]c3ccn(CCC#N)n3)cnc21 ZINC000609793878 1073490888 /nfs/dbraw/zinc/49/08/88/1073490888.db2.gz YSDKWXQJRAFUKC-UHFFFAOYSA-N -1 0 375.370 -0.055 20 30 GBEDRM C=CCCOCCNC(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000652652137 1073595483 /nfs/dbraw/zinc/59/54/83/1073595483.db2.gz YWBJONBDDPXFQL-CYBMUJFWSA-N -1 0 381.429 -0.381 20 30 GBEDRM C=CCCOCCNC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000652652138 1073595718 /nfs/dbraw/zinc/59/57/18/1073595718.db2.gz YWBJONBDDPXFQL-ZDUSSCGKSA-N -1 0 381.429 -0.381 20 30 GBEDRM C=C(C)COCCNC(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000652653239 1073597270 /nfs/dbraw/zinc/59/72/70/1073597270.db2.gz IEUYOGITBQJJGQ-CYBMUJFWSA-N -1 0 381.429 -0.381 20 30 GBEDRM C=C(C)COCCNC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000652653243 1073597455 /nfs/dbraw/zinc/59/74/55/1073597455.db2.gz IEUYOGITBQJJGQ-ZDUSSCGKSA-N -1 0 381.429 -0.381 20 30 GBEDRM C=CCN(CCOC)C(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000652659065 1073603043 /nfs/dbraw/zinc/60/30/43/1073603043.db2.gz MLVRLIBEJVFNDO-CYBMUJFWSA-N -1 0 381.429 -0.429 20 30 GBEDRM CC#CC[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nnc[nH]2)cc1 ZINC000656366258 1072532944 /nfs/dbraw/zinc/53/29/44/1072532944.db2.gz NKVABPRXRXIUQM-NSHDSACASA-N -1 0 399.454 -0.342 20 30 GBEDRM C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1=O ZINC000659057378 1072986475 /nfs/dbraw/zinc/98/64/75/1072986475.db2.gz CZHJQPZSWWJJHH-LLVKDONJSA-N -1 0 377.401 -0.113 20 30 GBEDRM C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)C1=O ZINC000659057380 1072986846 /nfs/dbraw/zinc/98/68/46/1072986846.db2.gz CZHJQPZSWWJJHH-NSHDSACASA-N -1 0 377.401 -0.113 20 30 GBEDRM C=CCOCCCNC(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000659666271 1073069186 /nfs/dbraw/zinc/06/91/86/1073069186.db2.gz WMFOANCXTVXVAC-CYBMUJFWSA-N -1 0 381.429 -0.381 20 30 GBEDRM C=CCOCCCNC(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000659666272 1073069016 /nfs/dbraw/zinc/06/90/16/1073069016.db2.gz WMFOANCXTVXVAC-ZDUSSCGKSA-N -1 0 381.429 -0.381 20 30 GBEDRM C=CCN(C(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1)[C@@H](C)COC ZINC000662912924 1073466355 /nfs/dbraw/zinc/46/63/55/1073466355.db2.gz LHQNJPHWCZCUPS-KBPBESRZSA-N -1 0 395.456 -0.040 20 30 GBEDRM C=CCN(C(=O)C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1)[C@H](C)COC ZINC000662912925 1073466460 /nfs/dbraw/zinc/46/64/60/1073466460.db2.gz LHQNJPHWCZCUPS-KGLIPLIRSA-N -1 0 395.456 -0.040 20 30 GBEDRM C=CCN(C(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1)[C@@H](C)COC ZINC000662912926 1073466048 /nfs/dbraw/zinc/46/60/48/1073466048.db2.gz LHQNJPHWCZCUPS-UONOGXRCSA-N -1 0 395.456 -0.040 20 30 GBEDRM C=CCN(C(=O)C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1)[C@H](C)COC ZINC000662912927 1073466448 /nfs/dbraw/zinc/46/64/48/1073466448.db2.gz LHQNJPHWCZCUPS-ZIAGYGMSSA-N -1 0 395.456 -0.040 20 30 GBEDRM C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C(=O)[O-])C2CCC2)CC1 ZINC000663628916 1073628770 /nfs/dbraw/zinc/62/87/70/1073628770.db2.gz FFHLPPFEKHWCCV-AWEZNQCLSA-N -1 0 380.445 -0.950 20 30 GBEDRM C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C(=O)[O-])C2CCC2)CC1 ZINC000663628917 1073628672 /nfs/dbraw/zinc/62/86/72/1073628672.db2.gz FFHLPPFEKHWCCV-CQSZACIVSA-N -1 0 380.445 -0.950 20 30 GBEDRM C=CCNC(=O)CN1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1 ZINC000665757739 1073514385 /nfs/dbraw/zinc/51/43/85/1073514385.db2.gz VASJAOZPILZEDD-UHFFFAOYSA-N -1 0 382.442 -0.900 20 30 GBEDRM C=CCNC(=O)c1cccc(S(=O)(=O)NCCn2cc(C(=O)[O-])nn2)c1 ZINC000683299190 976082389 /nfs/dbraw/zinc/08/23/89/976082389.db2.gz DSHWEIYEXMZGSH-UHFFFAOYSA-N -1 0 379.398 -0.129 20 30 GBEDRM C#CCNC(=O)CN1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)CC)CC1 ZINC000728530889 1072411346 /nfs/dbraw/zinc/41/13/46/1072411346.db2.gz XUENQNGDEZEFHV-UHFFFAOYSA-N -1 0 392.481 -0.045 20 30 GBEDRM C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)CC1 ZINC000728533329 1072415125 /nfs/dbraw/zinc/41/51/25/1072415125.db2.gz GLURFFCYZKSNFH-UHFFFAOYSA-N -1 0 399.476 -0.271 20 30 GBEDRM C#CCNC(=O)CN1CCN(C(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)CC1 ZINC000728534567 1072420202 /nfs/dbraw/zinc/42/02/02/1072420202.db2.gz OPYDHORFRMDKFV-UHFFFAOYSA-N -1 0 396.444 -0.296 20 30 GBEDRM C#CCNC(=O)CN1CCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)CC1 ZINC000728536267 1072420321 /nfs/dbraw/zinc/42/03/21/1072420321.db2.gz QXVMTBBTAPJOJV-UHFFFAOYSA-N -1 0 378.454 -0.435 20 30 GBEDRM C#CCNC(=O)CN1CCN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)CC1 ZINC000728570905 1072477121 /nfs/dbraw/zinc/47/71/21/1072477121.db2.gz OXNAUPABAQBSPX-UHFFFAOYSA-N -1 0 375.454 -0.625 20 30 GBEDRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000728762273 1073288540 /nfs/dbraw/zinc/28/85/40/1073288540.db2.gz BVAJXPUQZYLBNN-AWEZNQCLSA-N -1 0 378.410 -0.510 20 30 GBEDRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000728762274 1073288559 /nfs/dbraw/zinc/28/85/59/1073288559.db2.gz BVAJXPUQZYLBNN-CQSZACIVSA-N -1 0 378.410 -0.510 20 30 GBEDRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1C#N ZINC000728762331 1073288506 /nfs/dbraw/zinc/28/85/06/1073288506.db2.gz FHBPFHBUCRJEIM-HNNXBMFYSA-N -1 0 392.437 -0.369 20 30 GBEDRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccccc1C#N ZINC000728762332 1073288801 /nfs/dbraw/zinc/28/88/01/1073288801.db2.gz FHBPFHBUCRJEIM-OAHLLOKOSA-N -1 0 392.437 -0.369 20 30 GBEDRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000728762531 1073288112 /nfs/dbraw/zinc/28/81/12/1073288112.db2.gz PPQOTCMGTYBWJO-HNNXBMFYSA-N -1 0 392.437 -0.369 20 30 GBEDRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000728762532 1073287992 /nfs/dbraw/zinc/28/79/92/1073287992.db2.gz PPQOTCMGTYBWJO-OAHLLOKOSA-N -1 0 392.437 -0.369 20 30 GBEDRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000728765013 1073294349 /nfs/dbraw/zinc/29/43/49/1073294349.db2.gz XZVLECOVZSRPDN-AWEZNQCLSA-N -1 0 378.410 -0.510 20 30 GBEDRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000728765016 1073294271 /nfs/dbraw/zinc/29/42/71/1073294271.db2.gz XZVLECOVZSRPDN-CQSZACIVSA-N -1 0 378.410 -0.510 20 30 GBEDRM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000728769550 1073298447 /nfs/dbraw/zinc/29/84/47/1073298447.db2.gz FRRFRSSUHGLICX-HNNXBMFYSA-N -1 0 392.437 -0.369 20 30 GBEDRM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1cccc(C#N)c1 ZINC000728769551 1073298490 /nfs/dbraw/zinc/29/84/90/1073298490.db2.gz FRRFRSSUHGLICX-OAHLLOKOSA-N -1 0 392.437 -0.369 20 30 GBEDRM C#CCNC(=O)CN1CCCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000729281786 1073945839 /nfs/dbraw/zinc/94/58/39/1073945839.db2.gz ONZRLZAOAAWIMM-UHFFFAOYSA-N -1 0 384.396 -0.667 20 30 GBEDRM Cn1c(=O)ccn(CC(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1=O ZINC000730406187 637507003 /nfs/dbraw/zinc/50/70/03/637507003.db2.gz WOQAMBZCLXVAJN-UHFFFAOYSA-N -1 0 382.785 -0.423 20 30 GBEDRM CC(=NNCCS(C)(=O)=O)c1ccc(S(=O)(=O)NCC(=O)[O-])cc1 ZINC000733204637 637563094 /nfs/dbraw/zinc/56/30/94/637563094.db2.gz XHNOIXCJOAFQJA-UHFFFAOYSA-N -1 0 377.444 -0.592 20 30 GBEDRM CC(=NNCCS(C)(=O)=O)c1ccc(S(=O)(=O)NCCC(=O)[O-])cc1 ZINC000733205746 637563331 /nfs/dbraw/zinc/56/33/31/637563331.db2.gz JZWVHCUFZPBVKG-UHFFFAOYSA-N -1 0 391.471 -0.202 20 30 GBEDRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c(=O)n(C)c1=O ZINC000735214031 637577345 /nfs/dbraw/zinc/57/73/45/637577345.db2.gz KSNOGKUKMRFWDI-UHFFFAOYSA-N -1 0 382.785 -0.272 20 30 GBEDRM C=CCOCC(=O)OCC(=O)N1CCN(c2oc(C)nc2-c2nnn[n-]2)CC1 ZINC000735437039 598288314 /nfs/dbraw/zinc/28/83/14/598288314.db2.gz CZOKHULBIPKAQC-UHFFFAOYSA-N -1 0 391.388 -0.442 20 30 GBEDRM C[C@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)N1C(=O)NC2(CCCC2)C1=O ZINC000735569076 598357183 /nfs/dbraw/zinc/35/71/83/598357183.db2.gz DGWPZPKLRWCWSO-SSDOTTSWSA-N -1 0 384.360 -0.347 20 30 GBEDRM C[C@@H](C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1)N1C(=O)NC2(CCCC2)C1=O ZINC000735569080 598357393 /nfs/dbraw/zinc/35/73/93/598357393.db2.gz DGWPZPKLRWCWSO-ZETCQYMHSA-N -1 0 384.360 -0.347 20 30 GBEDRM CC(C)(C)OC(=O)NCCOCC(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1 ZINC000735636307 598748727 /nfs/dbraw/zinc/74/87/27/598748727.db2.gz STJGXCPWCQYURB-UHFFFAOYSA-N -1 0 377.365 -0.059 20 30 GBEDRM C#CCNC(=O)CN1CCN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CC1 ZINC000736075668 600231785 /nfs/dbraw/zinc/23/17/85/600231785.db2.gz ACYZIEUIODRQRZ-UHFFFAOYSA-N -1 0 379.438 -0.418 20 30 GBEDRM C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2C)CC1 ZINC000736075689 599983007 /nfs/dbraw/zinc/98/30/07/599983007.db2.gz BJDHMSPZXZYWLZ-UHFFFAOYSA-N -1 0 379.438 -0.251 20 30 GBEDRM C#CCNC(=O)CN1CCN(CC(=O)Nc2nc(CC(=O)[O-])cs2)CC1 ZINC000736075692 599964791 /nfs/dbraw/zinc/96/47/91/599964791.db2.gz BKYGCJMEKJXSOD-UHFFFAOYSA-N -1 0 379.442 -0.924 20 30 GBEDRM C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(C)c2C(=O)[O-])CC1 ZINC000736075736 599983125 /nfs/dbraw/zinc/98/31/25/599983125.db2.gz FMJCLWZMDMOROK-UHFFFAOYSA-N -1 0 379.438 -0.251 20 30 GBEDRM C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC000736075770 599983096 /nfs/dbraw/zinc/98/30/96/599983096.db2.gz HCBTWWWQKPKFRK-UHFFFAOYSA-N -1 0 395.437 -0.794 20 30 GBEDRM C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(F)ccc2C(=O)[O-])CC1 ZINC000736075875 599982950 /nfs/dbraw/zinc/98/29/50/599982950.db2.gz IHDFEZYPEQWBEZ-UHFFFAOYSA-N -1 0 383.401 -0.420 20 30 GBEDRM C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)CC1 ZINC000736076038 600583085 /nfs/dbraw/zinc/58/30/85/600583085.db2.gz KFLDWZHHNXQUKN-UHFFFAOYSA-N -1 0 395.437 -0.551 20 30 GBEDRM C#CCNC(=O)CN1CCN(S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000736076143 599983082 /nfs/dbraw/zinc/98/30/82/599983082.db2.gz LTVZCYVVGTZYIK-UHFFFAOYSA-N -1 0 379.438 -0.418 20 30 GBEDRM C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2C)CC1 ZINC000736076145 599937794 /nfs/dbraw/zinc/93/77/94/599937794.db2.gz LVTGEHCOWANDNU-UHFFFAOYSA-N -1 0 379.438 -0.251 20 30 GBEDRM C#CCNC(=O)CN1CCN([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000736076348 599964489 /nfs/dbraw/zinc/96/44/89/599964489.db2.gz MUVNPPSCTBLEOQ-HNNXBMFYSA-N -1 0 386.452 -0.244 20 30 GBEDRM C#CCNC(=O)CN1CCN([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000736076351 599964578 /nfs/dbraw/zinc/96/45/78/599964578.db2.gz MUVNPPSCTBLEOQ-OAHLLOKOSA-N -1 0 386.452 -0.244 20 30 GBEDRM C#CCNC(=O)CN1CCN(C[C@H](O)COc2ccc(C(=O)[O-])cc2)CC1 ZINC000736076353 599964549 /nfs/dbraw/zinc/96/45/49/599964549.db2.gz MWYVGOLMEAVAGR-INIZCTEOSA-N -1 0 375.425 -0.509 20 30 GBEDRM C#CCNC(=O)CN1CCN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)CC1 ZINC000736076355 599964640 /nfs/dbraw/zinc/96/46/40/599964640.db2.gz MWYVGOLMEAVAGR-MRXNPFEDSA-N -1 0 375.425 -0.509 20 30 GBEDRM C#CCNC(=O)CN1CCN(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CC1 ZINC000736076357 600003556 /nfs/dbraw/zinc/00/35/56/600003556.db2.gz MXRLEYSYLCSXHO-GOSISDBHSA-N -1 0 398.463 -0.609 20 30 GBEDRM C#CCNC(=O)CN1CCN(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])CC1 ZINC000736076361 600003583 /nfs/dbraw/zinc/00/35/83/600003583.db2.gz MXRLEYSYLCSXHO-SFHVURJKSA-N -1 0 398.463 -0.609 20 30 GBEDRM C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)CC1 ZINC000736076373 599983032 /nfs/dbraw/zinc/98/30/32/599983032.db2.gz NCMHCZZKZOCVDF-UHFFFAOYSA-N -1 0 383.401 -0.420 20 30 GBEDRM C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2C)CC1 ZINC000736076665 599983263 /nfs/dbraw/zinc/98/32/63/599983263.db2.gz SENGVNSROINBCU-UHFFFAOYSA-N -1 0 379.438 -0.251 20 30 GBEDRM C#CCNC(=O)CN1CCN(Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)CC1 ZINC000736076725 599964696 /nfs/dbraw/zinc/96/46/96/599964696.db2.gz TXSYYGOVSHVFOX-UHFFFAOYSA-N -1 0 383.408 -0.099 20 30 GBEDRM C#CCNC(=O)CN1CCN(CC(=O)NCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000736076767 599964652 /nfs/dbraw/zinc/96/46/52/599964652.db2.gz ULWBQKZBUYDHSY-UHFFFAOYSA-N -1 0 387.440 -0.240 20 30 GBEDRM C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC1 ZINC000736077093 600650362 /nfs/dbraw/zinc/65/03/62/600650362.db2.gz XZAOIZWJWIDRJE-UHFFFAOYSA-N -1 0 379.438 -0.631 20 30 GBEDRM C#CCNC(=O)CN1CCN(CCCN2C(=O)CS/C2=C\C(=O)[O-])CC1 ZINC000736077162 599964502 /nfs/dbraw/zinc/96/45/02/599964502.db2.gz YYXLQYRMRXFZHM-WJDWOHSUSA-N -1 0 380.470 -0.755 20 30 GBEDRM C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)CC1 ZINC000736078555 600578122 /nfs/dbraw/zinc/57/81/22/600578122.db2.gz BJRPVRIWAKGJFX-UHFFFAOYSA-N -1 0 397.428 -0.030 20 30 GBEDRM C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000736078640 600578588 /nfs/dbraw/zinc/57/85/88/600578588.db2.gz CSDOIGFKTYNBCF-UHFFFAOYSA-N -1 0 379.438 -0.169 20 30 GBEDRM C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])s2)CC1 ZINC000736078992 600578579 /nfs/dbraw/zinc/57/85/79/600578579.db2.gz FDGKHUFZWICBLL-UHFFFAOYSA-N -1 0 385.467 -0.108 20 30 GBEDRM C#CCNC(=O)CN1CCN(C(=O)Cc2[nH]c(C(C)=O)c(C)c2C(=O)[O-])CC1 ZINC000736079203 599937717 /nfs/dbraw/zinc/93/77/17/599937717.db2.gz JDJDPPDYPRKYDS-UHFFFAOYSA-N -1 0 388.424 -0.340 20 30 GBEDRM C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000736080675 600578595 /nfs/dbraw/zinc/57/85/95/600578595.db2.gz WHJYIVREOQKDHJ-UHFFFAOYSA-N -1 0 379.438 -0.169 20 30 GBEDRM C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC1 ZINC000736106037 600646908 /nfs/dbraw/zinc/64/69/08/600646908.db2.gz QYZDFNABAUAOIF-UHFFFAOYSA-N -1 0 381.454 -0.078 20 30 GBEDRM C=CCNS(=O)(=O)c1cc(C(=O)N(CC(=O)[O-])CC(=O)OC)ccc1F ZINC000736106306 600009419 /nfs/dbraw/zinc/00/94/19/600009419.db2.gz XZHYDKWYWFQAAZ-UHFFFAOYSA-N -1 0 388.373 -0.010 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)NCCOc2ccc(C(=O)[O-])cc2)C1=O ZINC000736106368 599901722 /nfs/dbraw/zinc/90/17/22/599901722.db2.gz BFFIHTYSWZTEIK-UHFFFAOYSA-N -1 0 375.337 -0.143 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(OCC(=O)[O-])c2)C1=O ZINC000736106640 600578545 /nfs/dbraw/zinc/57/85/45/600578545.db2.gz FVRYRKXCGXQBMH-UHFFFAOYSA-N -1 0 375.337 -0.257 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2cccc(C(=O)[O-])c2)C1=O ZINC000736106679 599750329 /nfs/dbraw/zinc/75/03/29/599750329.db2.gz HFYKKDNRMWMHPQ-UHFFFAOYSA-N -1 0 389.320 -0.157 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccsc2C(=O)[O-])C1=O ZINC000736106730 599750435 /nfs/dbraw/zinc/75/04/35/599750435.db2.gz JUIOGRSYKRMDCF-UHFFFAOYSA-N -1 0 395.349 -0.095 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C(=O)[O-])c2ccc(OC)cc2)C1=O ZINC000736106735 599763802 /nfs/dbraw/zinc/76/38/02/599763802.db2.gz JVIFQFVEQIQQKQ-CYBMUJFWSA-N -1 0 375.337 -0.086 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(=O)[O-])c2ccc(OC)cc2)C1=O ZINC000736106736 599763905 /nfs/dbraw/zinc/76/39/05/599763905.db2.gz JVIFQFVEQIQQKQ-ZDUSSCGKSA-N -1 0 375.337 -0.086 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)Nc2nnc(CCCC(=O)[O-])s2)C1=O ZINC000736106844 600535597 /nfs/dbraw/zinc/53/55/97/600535597.db2.gz MROAKIWOCFOPRN-UHFFFAOYSA-N -1 0 381.370 -0.139 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](Cc2ccc(O)cc2)C(=O)[O-])C1=O ZINC000736106974 600582897 /nfs/dbraw/zinc/58/28/97/600582897.db2.gz NXEVOVYAKSRCHT-GFCCVEGCSA-N -1 0 389.364 -0.272 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](Cc2ccc(O)cc2)C(=O)[O-])C1=O ZINC000736106975 600582948 /nfs/dbraw/zinc/58/29/48/600582948.db2.gz NXEVOVYAKSRCHT-LBPRGKRZSA-N -1 0 389.364 -0.272 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)C1=O ZINC000736107203 599750467 /nfs/dbraw/zinc/75/04/67/599750467.db2.gz UDSCDMCDGWGGRH-JTQLQIEISA-N -1 0 395.368 -0.782 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)C1=O ZINC000736107204 599750550 /nfs/dbraw/zinc/75/05/50/599750550.db2.gz UDSCDMCDGWGGRH-SNVBAGLBSA-N -1 0 395.368 -0.782 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccccc2C(=O)[O-])C1=O ZINC000736107367 599750524 /nfs/dbraw/zinc/75/05/24/599750524.db2.gz WJYLJJGLCCCUBF-UHFFFAOYSA-N -1 0 389.320 -0.157 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)NC2(C(=O)[O-])CCCCC2)C1=O ZINC000736107584 599750368 /nfs/dbraw/zinc/75/03/68/599750368.db2.gz ZEXFZYOVMQWRPJ-UHFFFAOYSA-N -1 0 395.368 -0.590 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2ccc(C(=O)[O-])cc2)C1=O ZINC000736107589 599750569 /nfs/dbraw/zinc/75/05/69/599750569.db2.gz ZJNNDBNIQOCBSF-UHFFFAOYSA-N -1 0 389.320 -0.157 20 30 GBEDRM C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCSC[C@H]2CC(=O)[O-])c1=O ZINC000736116428 600703563 /nfs/dbraw/zinc/70/35/63/600703563.db2.gz AKQHWDGTFIOBDD-GFCCVEGCSA-N -1 0 382.442 -0.607 20 30 GBEDRM C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCSC[C@@H]2CC(=O)[O-])c1=O ZINC000736116432 600703496 /nfs/dbraw/zinc/70/34/96/600703496.db2.gz AKQHWDGTFIOBDD-LBPRGKRZSA-N -1 0 382.442 -0.607 20 30 GBEDRM C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c1=O ZINC000736117844 600280669 /nfs/dbraw/zinc/28/06/69/600280669.db2.gz NOIRBHVJADNTES-CYBMUJFWSA-N -1 0 376.413 -0.312 20 30 GBEDRM C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC3(C[C@H]3C(=O)[O-])CC2)c1=O ZINC000736117852 600280521 /nfs/dbraw/zinc/28/05/21/600280521.db2.gz NOIRBHVJADNTES-ZDUSSCGKSA-N -1 0 376.413 -0.312 20 30 GBEDRM CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(CC#N)CC(=O)[O-])cc1 ZINC000736166116 600407866 /nfs/dbraw/zinc/40/78/66/600407866.db2.gz VSTARZSCZJCOTI-UHFFFAOYSA-N -1 0 382.398 -0.298 20 30 GBEDRM CC1CCC(NS(=O)(=O)CC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)CC1 ZINC000736243627 598555115 /nfs/dbraw/zinc/55/51/15/598555115.db2.gz XIAVNNDAQNATJG-UHFFFAOYSA-N -1 0 393.433 -0.102 20 30 GBEDRM CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)[O-])cc2)c(=O)n1CC(N)=O ZINC000736343923 600031681 /nfs/dbraw/zinc/03/16/81/600031681.db2.gz UMGCSXOTUXRRBI-UHFFFAOYSA-N -1 0 399.428 -0.179 20 30 GBEDRM CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)C(=O)[O-] ZINC000736428845 599743326 /nfs/dbraw/zinc/74/33/26/599743326.db2.gz WDCHURJSOLHVER-NWDGAFQWSA-N -1 0 383.426 -0.299 20 30 GBEDRM CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)C(=O)[O-] ZINC000736428847 599743386 /nfs/dbraw/zinc/74/33/86/599743386.db2.gz WDCHURJSOLHVER-RYUDHWBXSA-N -1 0 383.426 -0.299 20 30 GBEDRM CCOC(=O)c1cnn(C)c1NC(=O)Cn1c(N)nc(-c2nnn[n-]2)c1C#N ZINC000736605125 598821487 /nfs/dbraw/zinc/82/14/87/598821487.db2.gz DFASXBJPOVSRMR-UHFFFAOYSA-N -1 0 385.348 -0.934 20 30 GBEDRM CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(CC#N)CC(=O)[O-])c1 ZINC000737089058 600400949 /nfs/dbraw/zinc/40/09/49/600400949.db2.gz XSIWCQLUNJJUJC-UHFFFAOYSA-N -1 0 384.414 -0.684 20 30 GBEDRM CN(CC(=O)[O-])C(=O)CCN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000737401722 600159497 /nfs/dbraw/zinc/15/94/97/600159497.db2.gz RWRRNMGFIJBDHE-UHFFFAOYSA-N -1 0 394.453 -0.202 20 30 GBEDRM CN(CC(=O)[O-])CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000737403701 600068687 /nfs/dbraw/zinc/06/86/87/600068687.db2.gz FWPXIYYGBBABQM-UHFFFAOYSA-N -1 0 380.426 -0.592 20 30 GBEDRM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN(CCC#N)CCC#N)CC2)o1 ZINC000737467781 598863126 /nfs/dbraw/zinc/86/31/26/598863126.db2.gz STWGJKTYFDPUPW-UHFFFAOYSA-N -1 0 398.431 -0.059 20 30 GBEDRM C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000737492226 601246809 /nfs/dbraw/zinc/24/68/09/601246809.db2.gz GNGDBMBAPUIICX-UHFFFAOYSA-N -1 0 397.428 -0.030 20 30 GBEDRM C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000737493614 601236725 /nfs/dbraw/zinc/23/67/25/601236725.db2.gz DWHVHEFZVXQRCD-UHFFFAOYSA-N -1 0 383.401 -0.420 20 30 GBEDRM C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(N(C)C(=O)[O-])CC2)c1=O ZINC000737536481 602527772 /nfs/dbraw/zinc/52/77/72/602527772.db2.gz CLRXYBNUZILSNZ-UHFFFAOYSA-N -1 0 379.417 -0.425 20 30 GBEDRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 ZINC000737568311 600241472 /nfs/dbraw/zinc/24/14/72/600241472.db2.gz VSUUOWRVENTWEF-LLVKDONJSA-N -1 0 383.382 -0.457 20 30 GBEDRM COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 ZINC000737568313 600241441 /nfs/dbraw/zinc/24/14/41/600241441.db2.gz VSUUOWRVENTWEF-NSHDSACASA-N -1 0 383.382 -0.457 20 30 GBEDRM COC(=O)C[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C(=O)[O-] ZINC000737589091 600241469 /nfs/dbraw/zinc/24/14/69/600241469.db2.gz ARPVBIAFXLBEEM-LLVKDONJSA-N -1 0 383.382 -0.457 20 30 GBEDRM COC(=O)C[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C(=O)[O-] ZINC000737589094 600241446 /nfs/dbraw/zinc/24/14/46/600241446.db2.gz ARPVBIAFXLBEEM-NSHDSACASA-N -1 0 383.382 -0.457 20 30 GBEDRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCN(c3ccccc3C#N)CC2)n(C)c1=O ZINC000737594788 598244481 /nfs/dbraw/zinc/24/44/81/598244481.db2.gz AJNVBUYPMXBLDY-UHFFFAOYSA-N -1 0 393.411 -0.538 20 30 GBEDRM COC(=O)CN(CC(=O)[O-])C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000737601782 600009574 /nfs/dbraw/zinc/00/95/74/600009574.db2.gz AERXNMYWEBITBP-UHFFFAOYSA-N -1 0 397.409 -0.409 20 30 GBEDRM COC(=O)CN(CC(=O)[O-])C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000737601857 600008099 /nfs/dbraw/zinc/00/80/99/600008099.db2.gz AUVLZAQWOJCURW-UHFFFAOYSA-N -1 0 383.382 -0.799 20 30 GBEDRM COC(=O)CN(CC#N)C(=O)[C@@H]1CCC[C@@H](C(=O)N(CC#N)CC(=O)[O-])C1 ZINC000737605089 600402329 /nfs/dbraw/zinc/40/23/29/600402329.db2.gz NVXAOXGBHDMZSM-CHWSQXEVSA-N -1 0 378.385 -0.245 20 30 GBEDRM COC(=O)CN(CC#N)C(=O)[C@H]1CCC[C@@H](C(=O)N(CC#N)CC(=O)[O-])C1 ZINC000737605090 600402952 /nfs/dbraw/zinc/40/29/52/600402952.db2.gz NVXAOXGBHDMZSM-OLZOCXBDSA-N -1 0 378.385 -0.245 20 30 GBEDRM COC(=O)CN(CC#N)C(=O)[C@@H]1CCC[C@H](C(=O)N(CC#N)CC(=O)[O-])C1 ZINC000737605091 600402957 /nfs/dbraw/zinc/40/29/57/600402957.db2.gz NVXAOXGBHDMZSM-QWHCGFSZSA-N -1 0 378.385 -0.245 20 30 GBEDRM COC(=O)CN(CC#N)C(=O)[C@H]1CCC[C@H](C(=O)N(CC#N)CC(=O)[O-])C1 ZINC000737605092 600402995 /nfs/dbraw/zinc/40/29/95/600402995.db2.gz NVXAOXGBHDMZSM-STQMWFEESA-N -1 0 378.385 -0.245 20 30 GBEDRM COC(=O)CN(CC#N)C(=O)C1CCC(C(=O)N(CC#N)CC(=O)[O-])CC1 ZINC000737606135 600401031 /nfs/dbraw/zinc/40/10/31/600401031.db2.gz VVXFWGQRWNEYRZ-UHFFFAOYSA-N -1 0 378.385 -0.245 20 30 GBEDRM COC(=O)CN(CC#N)C(=O)c1ccc(C(=O)N(CC#N)CC(=O)[O-])s1 ZINC000737606320 601019658 /nfs/dbraw/zinc/01/96/58/601019658.db2.gz YJTWTSXSJVWMKM-UHFFFAOYSA-N -1 0 378.366 -0.063 20 30 GBEDRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 ZINC000737609005 599754634 /nfs/dbraw/zinc/75/46/34/599754634.db2.gz SGLWIYKVGNWYAB-UHFFFAOYSA-N -1 0 383.382 -0.422 20 30 GBEDRM COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 ZINC000737609250 600011275 /nfs/dbraw/zinc/01/12/75/600011275.db2.gz UUQYKHLBSIYUFX-UHFFFAOYSA-N -1 0 383.382 -0.503 20 30 GBEDRM COC(=O)CN(CC(=O)[O-])CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000737612953 600013244 /nfs/dbraw/zinc/01/32/44/600013244.db2.gz LBGKRFNDNMNOJJ-UHFFFAOYSA-N -1 0 379.373 -0.937 20 30 GBEDRM COC(=O)Cc1c(C#N)c(NC=C2C(=O)NC(=S)NC2=O)sc1C(=O)[O-] ZINC000737627968 599829580 /nfs/dbraw/zinc/82/95/80/599829580.db2.gz NFJAHDBYQWHLFE-UHFFFAOYSA-N -1 0 394.390 -0.140 20 30 GBEDRM N#CCNC(=O)CN1CCN(c2oc(-c3ccco3)nc2-c2nnn[n-]2)CC1 ZINC000737695686 598537974 /nfs/dbraw/zinc/53/79/74/598537974.db2.gz LUOKOMHNAQRYFA-UHFFFAOYSA-N -1 0 383.372 -0.124 20 30 GBEDRM N#Cc1nc(NC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)[n-]c1-c1nn[nH]n1 ZINC000737705188 598718657 /nfs/dbraw/zinc/71/86/57/598718657.db2.gz LMAYGCXNMQMIKJ-UHFFFAOYSA-N -1 0 389.339 -0.002 20 30 GBEDRM COC(=O)c1sc(NC=C2C(=O)NC(=S)NC2=O)c(C#N)c1CC(=O)[O-] ZINC000737718068 599829746 /nfs/dbraw/zinc/82/97/46/599829746.db2.gz GVLORQOYIAURHQ-UHFFFAOYSA-N -1 0 394.390 -0.140 20 30 GBEDRM COCCN1C(=O)c2ccc(C(=O)N(CC#N)CC(=O)[O-])cc2S1(=O)=O ZINC000737809661 600402816 /nfs/dbraw/zinc/40/28/16/600402816.db2.gz QPHIXWXGXQAAIQ-UHFFFAOYSA-N -1 0 381.366 -0.472 20 30 GBEDRM COc1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000737920448 600400772 /nfs/dbraw/zinc/40/07/72/600400772.db2.gz FQZUQCPRVQDZPI-UHFFFAOYSA-N -1 0 397.409 -0.234 20 30 GBEDRM COc1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])cc1[C@]1(C)NC(=O)NC1=O ZINC000738057563 600764337 /nfs/dbraw/zinc/76/43/37/600764337.db2.gz DWMJJFDMTZFNAF-HNNXBMFYSA-N -1 0 396.381 -0.651 20 30 GBEDRM COc1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])cc1[C@@]1(C)NC(=O)NC1=O ZINC000738057564 600764447 /nfs/dbraw/zinc/76/44/47/600764447.db2.gz DWMJJFDMTZFNAF-OAHLLOKOSA-N -1 0 396.381 -0.651 20 30 GBEDRM COc1ccc(S(=O)(=O)NCCC(=O)N(CC#N)CC(=O)[O-])cc1OC ZINC000738059530 600402067 /nfs/dbraw/zinc/40/20/67/600402067.db2.gz CJIYQSNJKQIWFV-UHFFFAOYSA-N -1 0 385.398 -0.191 20 30 GBEDRM COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(CC#N)CC(=O)[O-] ZINC000738062178 600674980 /nfs/dbraw/zinc/67/49/80/600674980.db2.gz RSXSQAIWTJXFJP-UHFFFAOYSA-N -1 0 397.409 -0.234 20 30 GBEDRM C#CCN(C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1)[C@@H]1CCS(=O)(=O)C1 ZINC000738457816 602462700 /nfs/dbraw/zinc/46/27/00/602462700.db2.gz YBQDYAKDCKFLLG-CYBMUJFWSA-N -1 0 395.441 -0.145 20 30 GBEDRM C#CCN(C(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1)[C@H]1CCS(=O)(=O)C1 ZINC000738457817 602462793 /nfs/dbraw/zinc/46/27/93/602462793.db2.gz YBQDYAKDCKFLLG-ZDUSSCGKSA-N -1 0 395.441 -0.145 20 30 GBEDRM C#CCNC(=O)C1CCN(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)CC1 ZINC000738459924 603048442 /nfs/dbraw/zinc/04/84/42/603048442.db2.gz HVPVWDJRLVEOLG-UHFFFAOYSA-N -1 0 391.428 -0.530 20 30 GBEDRM C#CCNC(=O)CN1CCN(C(=O)[C@H]2Cc3ccccc3CN2C(=O)[O-])CC1 ZINC000738462878 602301937 /nfs/dbraw/zinc/30/19/37/602301937.db2.gz DIZFTKSXQQZCFQ-QGZVFWFLSA-N -1 0 384.436 -0.015 20 30 GBEDRM C#CCNC(=O)CN1CCCN(C(=O)C2(OC)CCN(C(=O)[O-])CC2)CC1 ZINC000738462978 602787173 /nfs/dbraw/zinc/78/71/73/602787173.db2.gz IJTVZVDQEKAICQ-UHFFFAOYSA-N -1 0 380.445 -0.571 20 30 GBEDRM C#CCNC(=O)CN1CCCN(C(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)CC1 ZINC000738462995 602973482 /nfs/dbraw/zinc/97/34/82/602973482.db2.gz IUHHWXWEFPTTMW-UHFFFAOYSA-N -1 0 393.488 -0.656 20 30 GBEDRM C#CCNC(=O)CN1CCCN(C(=O)[C@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])CC1 ZINC000738463349 602973418 /nfs/dbraw/zinc/97/34/18/602973418.db2.gz QPWSBOMFFYMCHN-DZGCQCFKSA-N -1 0 380.445 -0.227 20 30 GBEDRM C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])CC1 ZINC000738463350 602973580 /nfs/dbraw/zinc/97/35/80/602973580.db2.gz QPWSBOMFFYMCHN-HIFRSBDPSA-N -1 0 380.445 -0.227 20 30 GBEDRM C#CCNC(=O)CN1CCCN(C(=O)[C@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])CC1 ZINC000738463351 602973791 /nfs/dbraw/zinc/97/37/91/602973791.db2.gz QPWSBOMFFYMCHN-UKRRQHHQSA-N -1 0 380.445 -0.227 20 30 GBEDRM C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])CC1 ZINC000738463352 602973637 /nfs/dbraw/zinc/97/36/37/602973637.db2.gz QPWSBOMFFYMCHN-ZFWWWQNUSA-N -1 0 380.445 -0.227 20 30 GBEDRM C#CCNC(=O)CN1CCCN(C(=O)c2csc(CNC(=O)[O-])n2)CC1 ZINC000738463566 602787166 /nfs/dbraw/zinc/78/71/66/602787166.db2.gz WFDVVLAFFTUCQR-UHFFFAOYSA-N -1 0 379.442 -0.192 20 30 GBEDRM C#CCNC(=O)CN1CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)CC1 ZINC000738463596 596962182 /nfs/dbraw/zinc/96/21/82/596962182.db2.gz XFDCEGUZWFLCSZ-KRWDZBQOSA-N -1 0 397.435 -0.401 20 30 GBEDRM C#CCNC(=O)CN1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)CC1 ZINC000738463597 596961886 /nfs/dbraw/zinc/96/18/86/596961886.db2.gz XFDCEGUZWFLCSZ-QGZVFWFLSA-N -1 0 397.435 -0.401 20 30 GBEDRM C#CCNC(=O)CN1CCCN(C(=O)CN(C[C@@H]2CCCO2)C(=O)[O-])CC1 ZINC000738463623 602889832 /nfs/dbraw/zinc/88/98/32/602889832.db2.gz XOEHCLJAGOYDHU-HNNXBMFYSA-N -1 0 380.445 -0.571 20 30 GBEDRM C#CCNC(=O)CN1CCCN(C(=O)CN(C[C@H]2CCCO2)C(=O)[O-])CC1 ZINC000738463625 602889754 /nfs/dbraw/zinc/88/97/54/602889754.db2.gz XOEHCLJAGOYDHU-OAHLLOKOSA-N -1 0 380.445 -0.571 20 30 GBEDRM C#CCNC(=O)CN1CCN(C(=O)[C@@H](NC(=O)[O-])c2ccccc2OC)CC1 ZINC000738463677 602902925 /nfs/dbraw/zinc/90/29/25/602902925.db2.gz YWLFWZQORWSJCM-KRWDZBQOSA-N -1 0 388.424 -0.103 20 30 GBEDRM C#CCNC(=O)CN1CCN(C(=O)[C@H](NC(=O)[O-])c2ccccc2OC)CC1 ZINC000738463679 602902974 /nfs/dbraw/zinc/90/29/74/602902974.db2.gz YWLFWZQORWSJCM-QGZVFWFLSA-N -1 0 388.424 -0.103 20 30 GBEDRM C#CCOc1ccc(NC(=O)C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)cc1 ZINC000738467109 602761966 /nfs/dbraw/zinc/76/19/66/602761966.db2.gz IWBYIJQAPQNEKE-UHFFFAOYSA-N -1 0 388.380 -0.425 20 30 GBEDRM C#CCOc1cccc(NC(=O)C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)c1 ZINC000738468229 602762003 /nfs/dbraw/zinc/76/20/03/602762003.db2.gz YFRWWXVAAPQMAZ-UHFFFAOYSA-N -1 0 388.380 -0.425 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])C1=O ZINC000738491650 603212228 /nfs/dbraw/zinc/21/22/28/603212228.db2.gz MFSPMLIYJAYFQT-NXEZZACHSA-N -1 0 382.373 -0.417 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])C1=O ZINC000738491653 603212095 /nfs/dbraw/zinc/21/20/95/603212095.db2.gz MFSPMLIYJAYFQT-UWVGGRQHSA-N -1 0 382.373 -0.417 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])C1=O ZINC000738491654 603212144 /nfs/dbraw/zinc/21/21/44/603212144.db2.gz MFSPMLIYJAYFQT-VHSXEESVSA-N -1 0 382.373 -0.417 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2[C@@H](C)OC(C)(C)N2C(=O)[O-])C1=O ZINC000738491656 603212688 /nfs/dbraw/zinc/21/26/88/603212688.db2.gz MFSPMLIYJAYFQT-ZJUUUORDSA-N -1 0 382.373 -0.417 20 30 GBEDRM C=CCNC(=O)CN1CCN(C(=O)C(C)(C)N2CCN(C(=O)[O-])CC2)CC1 ZINC000738495420 603131668 /nfs/dbraw/zinc/13/16/68/603131668.db2.gz MDHIQNUEPFUFGO-UHFFFAOYSA-N -1 0 381.477 -0.493 20 30 GBEDRM C=CCNC(=O)NC(=O)COC(=O)c1cn(C2CCN(C(=O)[O-])CC2)nn1 ZINC000738496448 602040876 /nfs/dbraw/zinc/04/08/76/602040876.db2.gz YTDHZDQOISVSJX-UHFFFAOYSA-N -1 0 380.361 -0.238 20 30 GBEDRM C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H](CN(C)C(=O)[O-])C2)c1=O ZINC000738502384 602858504 /nfs/dbraw/zinc/85/85/04/602858504.db2.gz BWKICKCPYSGJDO-AWEZNQCLSA-N -1 0 393.444 -0.177 20 30 GBEDRM C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H](CN(C)C(=O)[O-])C2)c1=O ZINC000738502385 602858482 /nfs/dbraw/zinc/85/84/82/602858482.db2.gz BWKICKCPYSGJDO-CQSZACIVSA-N -1 0 393.444 -0.177 20 30 GBEDRM C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC([C@@H](C)NC(=O)[O-])CC2)c1=O ZINC000738502793 602424569 /nfs/dbraw/zinc/42/45/69/602424569.db2.gz GTHKPBUNHFFUDV-CYBMUJFWSA-N -1 0 393.444 -0.131 20 30 GBEDRM C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC([C@H](C)NC(=O)[O-])CC2)c1=O ZINC000738502796 602424499 /nfs/dbraw/zinc/42/44/99/602424499.db2.gz GTHKPBUNHFFUDV-ZDUSSCGKSA-N -1 0 393.444 -0.131 20 30 GBEDRM C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(CN(C)C(=O)[O-])CC2)c1=O ZINC000738502882 602373178 /nfs/dbraw/zinc/37/31/78/602373178.db2.gz IFZZAHYMGLRYOH-UHFFFAOYSA-N -1 0 393.444 -0.177 20 30 GBEDRM C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c1=O ZINC000738502918 603391868 /nfs/dbraw/zinc/39/18/68/603391868.db2.gz JMMFNGRUFDZOSM-CHWSQXEVSA-N -1 0 379.417 -0.521 20 30 GBEDRM C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H](NC(=O)[O-])[C@H](C)C2)c1=O ZINC000738502919 603391913 /nfs/dbraw/zinc/39/19/13/603391913.db2.gz JMMFNGRUFDZOSM-OLZOCXBDSA-N -1 0 379.417 -0.521 20 30 GBEDRM C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c1=O ZINC000738502920 603391901 /nfs/dbraw/zinc/39/19/01/603391901.db2.gz JMMFNGRUFDZOSM-QWHCGFSZSA-N -1 0 379.417 -0.521 20 30 GBEDRM C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c1=O ZINC000738502921 603391607 /nfs/dbraw/zinc/39/16/07/603391607.db2.gz JMMFNGRUFDZOSM-STQMWFEESA-N -1 0 379.417 -0.521 20 30 GBEDRM C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@@H](C)N(C(=O)[O-])[C@@H](C)C2)c1=O ZINC000738503955 602811821 /nfs/dbraw/zinc/81/18/21/602811821.db2.gz WVVIASSZDGJUNX-BETUJISGSA-N -1 0 379.417 -0.426 20 30 GBEDRM C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@@H](C)N(C(=O)[O-])[C@H](C)C2)c1=O ZINC000738503958 602811785 /nfs/dbraw/zinc/81/17/85/602811785.db2.gz WVVIASSZDGJUNX-CHWSQXEVSA-N -1 0 379.417 -0.426 20 30 GBEDRM C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H](C)N(C(=O)[O-])[C@@H](C)C2)c1=O ZINC000738503963 602811693 /nfs/dbraw/zinc/81/16/93/602811693.db2.gz WVVIASSZDGJUNX-STQMWFEESA-N -1 0 379.417 -0.426 20 30 GBEDRM C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H](CN(C)C(=O)[O-])C2)c1=O ZINC000738504256 602524342 /nfs/dbraw/zinc/52/43/42/602524342.db2.gz YUEAPHJDMFUGCF-CYBMUJFWSA-N -1 0 379.417 -0.567 20 30 GBEDRM C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H](CN(C)C(=O)[O-])C2)c1=O ZINC000738504258 602524285 /nfs/dbraw/zinc/52/42/85/602524285.db2.gz YUEAPHJDMFUGCF-ZDUSSCGKSA-N -1 0 379.417 -0.567 20 30 GBEDRM Cc1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc1S(=O)(=O)NCC#N ZINC000738507744 599913882 /nfs/dbraw/zinc/91/38/82/599913882.db2.gz OUCSSESCVUIIQH-GFCCVEGCSA-N -1 0 394.409 -0.788 20 30 GBEDRM Cc1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc1S(=O)(=O)NCC#N ZINC000738507745 599913790 /nfs/dbraw/zinc/91/37/90/599913790.db2.gz OUCSSESCVUIIQH-LBPRGKRZSA-N -1 0 394.409 -0.788 20 30 GBEDRM Cc1ccc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)cc1S(=O)(=O)NCC#N ZINC000738521995 600532948 /nfs/dbraw/zinc/53/29/48/600532948.db2.gz WFUPAKGMGHDRTI-UHFFFAOYSA-N -1 0 378.370 -0.206 20 30 GBEDRM O=C([O-])[C@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 ZINC000738547774 599948393 /nfs/dbraw/zinc/94/83/93/599948393.db2.gz VIZBZYACUBARMM-GFCCVEGCSA-N -1 0 381.410 -0.183 20 30 GBEDRM O=C([O-])[C@@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 ZINC000738547776 599948629 /nfs/dbraw/zinc/94/86/29/599948629.db2.gz VIZBZYACUBARMM-LBPRGKRZSA-N -1 0 381.410 -0.183 20 30 GBEDRM Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N(CC#N)CC(=O)[O-])CC2)cc1 ZINC000738652884 600402052 /nfs/dbraw/zinc/40/20/52/600402052.db2.gz JGSZIPQBRJCYAI-UHFFFAOYSA-N -1 0 394.453 -0.262 20 30 GBEDRM Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N(CC#N)CC(=O)[O-])CC2)c1 ZINC000738732790 600401828 /nfs/dbraw/zinc/40/18/28/600401828.db2.gz MSMHOINJESCPIA-UHFFFAOYSA-N -1 0 394.453 -0.116 20 30 GBEDRM Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N(CC#N)CC(=O)[O-])C1 ZINC000738822862 600408783 /nfs/dbraw/zinc/40/87/83/600408783.db2.gz GGSIKUPAFOMPQV-GFCCVEGCSA-N -1 0 383.430 -0.136 20 30 GBEDRM Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N(CC#N)CC(=O)[O-])C1 ZINC000738822867 600409024 /nfs/dbraw/zinc/40/90/24/600409024.db2.gz GGSIKUPAFOMPQV-LBPRGKRZSA-N -1 0 383.430 -0.136 20 30 GBEDRM Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N(CC#N)CC(=O)[O-])CC1 ZINC000738823276 600408153 /nfs/dbraw/zinc/40/81/53/600408153.db2.gz IVNMRMWRYGKPPW-UHFFFAOYSA-N -1 0 383.430 -0.136 20 30 GBEDRM Cc1oc(C)c(S(=O)(=O)N2CCN(CC(=O)NCC#N)CC2)c1C(=O)[O-] ZINC000738966138 599924242 /nfs/dbraw/zinc/92/42/42/599924242.db2.gz QLZHYONBQKZBBE-UHFFFAOYSA-N -1 0 384.414 -0.459 20 30 GBEDRM Cn1c2ncn(C=C(O)C(C(=O)[O-])c3nc4ccccc4[nH]3)c2c(=O)n(C)c1=O ZINC000738999382 600110132 /nfs/dbraw/zinc/11/01/32/600110132.db2.gz PWHAJNONKVZZTO-UHFFFAOYSA-N -1 0 396.363 -0.163 20 30 GBEDRM Cn1c2ncn(CC(=O)O[C@H](C(=O)[O-])c3ccc(C#N)cc3)c2c(=O)n(C)c1=O ZINC000739000378 600604826 /nfs/dbraw/zinc/60/48/26/600604826.db2.gz ZOPITBZZXCBBMQ-AWEZNQCLSA-N -1 0 397.347 -0.326 20 30 GBEDRM Cn1c2ncn(CC(=O)O[C@@H](C(=O)[O-])c3ccc(C#N)cc3)c2c(=O)n(C)c1=O ZINC000739000379 600604828 /nfs/dbraw/zinc/60/48/28/600604828.db2.gz ZOPITBZZXCBBMQ-CQSZACIVSA-N -1 0 397.347 -0.326 20 30 GBEDRM Cn1cc(S(=O)(=O)NCC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)cn1 ZINC000739036759 600612197 /nfs/dbraw/zinc/61/21/97/600612197.db2.gz MRBZWZYCCVUIPQ-AWEZNQCLSA-N -1 0 378.366 -0.061 20 30 GBEDRM Cn1cc(S(=O)(=O)NCC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cn1 ZINC000739036765 600612192 /nfs/dbraw/zinc/61/21/92/600612192.db2.gz MRBZWZYCCVUIPQ-CQSZACIVSA-N -1 0 378.366 -0.061 20 30 GBEDRM Cn1nc(Br)c2c1ncn(CC(=O)N(CC#N)CC(=O)[O-])c2=O ZINC000739056579 600409131 /nfs/dbraw/zinc/40/91/31/600409131.db2.gz DRKNDWLHZQHZQI-UHFFFAOYSA-N -1 0 383.162 -0.671 20 30 GBEDRM Cn1cnc2c1c(=O)n(CC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)c(=O)n2C ZINC000739057965 600607810 /nfs/dbraw/zinc/60/78/10/600607810.db2.gz OEOMOCJSEFMALE-AWEZNQCLSA-N -1 0 397.347 -0.326 20 30 GBEDRM Cn1cnc2c1c(=O)n(CC(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c(=O)n2C ZINC000739057969 600607880 /nfs/dbraw/zinc/60/78/80/600607880.db2.gz OEOMOCJSEFMALE-CQSZACIVSA-N -1 0 397.347 -0.326 20 30 GBEDRM N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)CCN1C1CC1 ZINC000739066883 600472287 /nfs/dbraw/zinc/47/22/87/600472287.db2.gz UGCFHDJPWYZBCZ-HNNXBMFYSA-N -1 0 399.407 -0.362 20 30 GBEDRM N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)CCN1C1CC1 ZINC000739066885 600472393 /nfs/dbraw/zinc/47/23/93/600472393.db2.gz UGCFHDJPWYZBCZ-OAHLLOKOSA-N -1 0 399.407 -0.362 20 30 GBEDRM N#CCCNC(=O)CN1C(C(=O)[O-])=NC2=NS(=O)(=O)c3ccccc3N21 ZINC000739075834 600115656 /nfs/dbraw/zinc/11/56/56/600115656.db2.gz ODNUXROXPKZOIX-UHFFFAOYSA-N -1 0 376.354 -0.705 20 30 GBEDRM N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)cc1 ZINC000739076107 600533326 /nfs/dbraw/zinc/53/33/26/600533326.db2.gz SJYYJLTUXXHAJG-UHFFFAOYSA-N -1 0 378.370 -0.124 20 30 GBEDRM N#CCN(CC(=O)[O-])C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000739077042 600408197 /nfs/dbraw/zinc/40/81/97/600408197.db2.gz GNYPPHDLVOSJSQ-UHFFFAOYSA-N -1 0 397.409 -0.047 20 30 GBEDRM N#CCN(CC(=O)[O-])C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000739078448 600407659 /nfs/dbraw/zinc/40/76/59/600407659.db2.gz HEKYPNLAVBVUPF-UHFFFAOYSA-N -1 0 387.439 -0.252 20 30 GBEDRM N#CCN(CC(=O)[O-])C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F ZINC000739079171 600401330 /nfs/dbraw/zinc/40/13/30/600401330.db2.gz SNOLHTLOIHAQJB-UHFFFAOYSA-N -1 0 385.373 -0.103 20 30 GBEDRM N#CCN(CC(=O)[O-])C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000739087851 600675596 /nfs/dbraw/zinc/67/55/96/600675596.db2.gz PJJONGMBSRPIKP-UHFFFAOYSA-N -1 0 385.373 -0.103 20 30 GBEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 ZINC000739105301 600564029 /nfs/dbraw/zinc/56/40/29/600564029.db2.gz JWOHNKHBLGNDNI-INIZCTEOSA-N -1 0 386.408 -0.313 20 30 GBEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 ZINC000739105303 600564118 /nfs/dbraw/zinc/56/41/18/600564118.db2.gz JWOHNKHBLGNDNI-MRXNPFEDSA-N -1 0 386.408 -0.313 20 30 GBEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 ZINC000739106778 600564308 /nfs/dbraw/zinc/56/43/08/600564308.db2.gz UBUJSGZIRTXRCL-INIZCTEOSA-N -1 0 394.453 -0.121 20 30 GBEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 ZINC000739106788 600564295 /nfs/dbraw/zinc/56/42/95/600564295.db2.gz UBUJSGZIRTXRCL-MRXNPFEDSA-N -1 0 394.453 -0.121 20 30 GBEDRM N#Cc1ccc(S(=O)(=O)NCC(=O)OCc2noc(CCC(=O)[O-])n2)cc1 ZINC000739129829 600182687 /nfs/dbraw/zinc/18/26/87/600182687.db2.gz GPNZTSJUGNJHPZ-UHFFFAOYSA-N -1 0 394.365 -0.020 20 30 GBEDRM N#Cc1ccc(S(=O)(=O)N2CCN(CCC(=O)NCC(=O)[O-])CC2)cc1 ZINC000739130175 600159432 /nfs/dbraw/zinc/15/94/32/600159432.db2.gz MKVKNGYFFLFUTL-UHFFFAOYSA-N -1 0 380.426 -0.545 20 30 GBEDRM N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCCC(=O)[O-])CC2)cc1 ZINC000739130376 600098220 /nfs/dbraw/zinc/09/82/20/600098220.db2.gz SVEWUXLFKHZLEG-UHFFFAOYSA-N -1 0 380.426 -0.545 20 30 GBEDRM N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CO)C(=O)[O-])CC2)cc1 ZINC000739130527 600019465 /nfs/dbraw/zinc/01/94/65/600019465.db2.gz UMCJYVLGYZJZND-AWEZNQCLSA-N -1 0 381.410 -0.479 20 30 GBEDRM N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CO)C(=O)[O-])CC2)cc1 ZINC000739130539 600019380 /nfs/dbraw/zinc/01/93/80/600019380.db2.gz UMCJYVLGYZJZND-CQSZACIVSA-N -1 0 381.410 -0.479 20 30 GBEDRM N#Cc1ccccc1S(=O)(=O)NCC(=O)OCc1noc(CCC(=O)[O-])n1 ZINC000739142528 600187208 /nfs/dbraw/zinc/18/72/08/600187208.db2.gz ORJXLVIFUUZKOM-UHFFFAOYSA-N -1 0 394.365 -0.020 20 30 GBEDRM O=C([O-])[C@@H](CO)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000739234802 599743695 /nfs/dbraw/zinc/74/36/95/599743695.db2.gz XLHZWWHFHNSPJA-GFCCVEGCSA-N -1 0 383.426 -0.153 20 30 GBEDRM O=C([O-])[C@H](CO)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000739234805 599743611 /nfs/dbraw/zinc/74/36/11/599743611.db2.gz XLHZWWHFHNSPJA-LBPRGKRZSA-N -1 0 383.426 -0.153 20 30 GBEDRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000739621217 602312381 /nfs/dbraw/zinc/31/23/81/602312381.db2.gz XJKKWHDMCIIONR-UHFFFAOYSA-N -1 0 387.396 -0.431 20 30 GBEDRM CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)[O-])c1 ZINC000739727101 597045883 /nfs/dbraw/zinc/04/58/83/597045883.db2.gz DRNLJPZCOJPXGL-LDADJPATSA-N -1 0 382.398 -0.361 20 30 GBEDRM CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCC(=O)[O-])c1 ZINC000739727102 597046045 /nfs/dbraw/zinc/04/60/45/597046045.db2.gz DRNLJPZCOJPXGL-PDGQHHTCSA-N -1 0 382.398 -0.361 20 30 GBEDRM CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1 ZINC000739729880 597045730 /nfs/dbraw/zinc/04/57/30/597045730.db2.gz NQEBOLPJJIXMGN-LDADJPATSA-N -1 0 382.398 -0.361 20 30 GBEDRM CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCC(=O)[O-])cc1 ZINC000739729881 597046055 /nfs/dbraw/zinc/04/60/55/597046055.db2.gz NQEBOLPJJIXMGN-PDGQHHTCSA-N -1 0 382.398 -0.361 20 30 GBEDRM O=C([O-])CCc1nc(COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)no1 ZINC000739765297 600184782 /nfs/dbraw/zinc/18/47/82/600184782.db2.gz BNEFHCRYTHNOIU-UHFFFAOYSA-N -1 0 394.365 -0.131 20 30 GBEDRM O=C([O-])COc1ccc(S(=O)(=O)NCCNC(=O)C2N=CC=CC2=O)cc1 ZINC000739826260 600162232 /nfs/dbraw/zinc/16/22/32/600162232.db2.gz MKYJTQMBFZBIAO-FOCLMDBBSA-N -1 0 395.393 -0.045 20 30 GBEDRM O=C([O-])COc1ccc(S(=O)(=O)NCCNC(=O)C2N=CC=CC2=O)cc1 ZINC000739826262 600162262 /nfs/dbraw/zinc/16/22/62/600162262.db2.gz MKYJTQMBFZBIAO-NXVVXOECSA-N -1 0 395.393 -0.045 20 30 GBEDRM COc1ccc(C#N)cc1NC(=O)C(=O)NCCN1CCN(C(=O)[O-])CC1 ZINC000739879546 602211411 /nfs/dbraw/zinc/21/14/11/602211411.db2.gz GEJVNLPFJBJYGY-UHFFFAOYSA-N -1 0 375.385 -0.083 20 30 GBEDRM COc1ccc(C#N)cc1NC(=O)C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739879969 602762730 /nfs/dbraw/zinc/76/27/30/602762730.db2.gz JYJYKHKATOLZEI-UHFFFAOYSA-N -1 0 389.368 -0.556 20 30 GBEDRM O=C([O-])Cc1nc(NC(=O)CCCN=C2NS(=O)(=O)c3ccccc32)n[nH]1 ZINC000739901388 600183027 /nfs/dbraw/zinc/18/30/27/600183027.db2.gz QOIDAHRXRNBMMU-UHFFFAOYSA-N -1 0 392.397 -0.111 20 30 GBEDRM O=C([O-])Cc1nc(NC(=O)CCN=C2NS(=O)(=O)c3ccccc32)n[nH]1 ZINC000739902354 600180526 /nfs/dbraw/zinc/18/05/26/600180526.db2.gz VZAFTASNAHBTNU-UHFFFAOYSA-N -1 0 378.370 -0.501 20 30 GBEDRM COc1ccc(CNC(=O)[C@@H](C#N)C(=O)CN2CCN(C(=O)[O-])CC2=O)cc1 ZINC000739907410 603142931 /nfs/dbraw/zinc/14/29/31/603142931.db2.gz OOQRPESFEMDZQC-AWEZNQCLSA-N -1 0 388.380 -0.158 20 30 GBEDRM COc1ccc(CNC(=O)[C@H](C#N)C(=O)CN2CCN(C(=O)[O-])CC2=O)cc1 ZINC000739907412 603143007 /nfs/dbraw/zinc/14/30/07/603143007.db2.gz OOQRPESFEMDZQC-CQSZACIVSA-N -1 0 388.380 -0.158 20 30 GBEDRM Cc1nc(NC(=O)CN2CCN(C(=O)[O-])CC2=O)n(-c2ccc(C#N)cc2)n1 ZINC000740223944 603427165 /nfs/dbraw/zinc/42/71/65/603427165.db2.gz VPMMIFZYZVHMKW-UHFFFAOYSA-N -1 0 383.368 -0.370 20 30 GBEDRM N#CCN1CCC(NC(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)CC1 ZINC000740305291 602564548 /nfs/dbraw/zinc/56/45/48/602564548.db2.gz KMUHBFUKZFJPIB-CYBMUJFWSA-N -1 0 380.449 -0.220 20 30 GBEDRM N#CCN1CCC(NC(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)CC1 ZINC000740305292 602564545 /nfs/dbraw/zinc/56/45/45/602564545.db2.gz KMUHBFUKZFJPIB-ZDUSSCGKSA-N -1 0 380.449 -0.220 20 30 GBEDRM N#C[C@@H]1CN(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)CCN1C1CC1 ZINC000740308071 603049780 /nfs/dbraw/zinc/04/97/80/603049780.db2.gz UOYDVNCSONGHDN-CYBMUJFWSA-N -1 0 376.417 -0.320 20 30 GBEDRM N#C[C@H]1CN(CN2C(=O)NC3(CCN(C(=O)[O-])CC3)C2=O)CCN1C1CC1 ZINC000740308072 603050251 /nfs/dbraw/zinc/05/02/51/603050251.db2.gz UOYDVNCSONGHDN-ZDUSSCGKSA-N -1 0 376.417 -0.320 20 30 GBEDRM N#CCCN(CCC#N)C(=O)CN1C(=O)NC2(CCN(C(=O)[O-])CC2)C1=O ZINC000740309293 603295720 /nfs/dbraw/zinc/29/57/20/603295720.db2.gz ZHXDWUCNIJDGSV-UHFFFAOYSA-N -1 0 376.373 -0.293 20 30 GBEDRM N#CCOc1cccc(NC(=O)C(=O)NCCN2CCN(C(=O)[O-])CC2)c1 ZINC000740310027 602211789 /nfs/dbraw/zinc/21/17/89/602211789.db2.gz DLVNZSPRRLBXHN-UHFFFAOYSA-N -1 0 375.385 -0.061 20 30 GBEDRM N#Cc1cc(NC(=O)C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)ccc1F ZINC000740311231 602762688 /nfs/dbraw/zinc/76/26/88/602762688.db2.gz OZIAIVHINZFSIY-UHFFFAOYSA-N -1 0 377.332 -0.426 20 30 GBEDRM N#CCOc1cccc(NC(=O)C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)c1 ZINC000740311759 602762862 /nfs/dbraw/zinc/76/28/62/602762862.db2.gz YZCVEXBTHBQALS-UHFFFAOYSA-N -1 0 389.368 -0.534 20 30 GBEDRM N#Cc1ccc(N2CCC(NC(=O)CN3CCN(C(=O)[O-])CC3=O)CC2)nc1 ZINC000740315120 603001827 /nfs/dbraw/zinc/00/18/27/603001827.db2.gz LBYJAPTZBVSWJV-UHFFFAOYSA-N -1 0 386.412 -0.140 20 30 GBEDRM N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCNC(=O)[O-])CC2)cc1 ZINC000740321335 602320276 /nfs/dbraw/zinc/32/02/76/602320276.db2.gz HMLRBVYDUFWJSR-UHFFFAOYSA-N -1 0 381.414 -0.158 20 30 GBEDRM N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCNC(=O)[O-])C2)cn1 ZINC000740321907 601984306 /nfs/dbraw/zinc/98/43/06/601984306.db2.gz WBQUNINGQPGDSD-LLVKDONJSA-N -1 0 381.414 -0.262 20 30 GBEDRM N#Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCNC(=O)[O-])C2)cn1 ZINC000740321909 601984605 /nfs/dbraw/zinc/98/46/05/601984605.db2.gz WBQUNINGQPGDSD-NSHDSACASA-N -1 0 381.414 -0.262 20 30 GBEDRM N#Cc1cnn(-c2ccc(C(=O)NCC(=O)N3CCN(C(=O)[O-])CC3)cc2)c1N ZINC000740322239 601975585 /nfs/dbraw/zinc/97/55/85/601975585.db2.gz SZQVKFZYJLAIMC-UHFFFAOYSA-N -1 0 397.395 -0.122 20 30 GBEDRM O=C([O-])N1CCN(CCCNC(=O)CCNC(=O)C2N=CC=CC2=O)CC1 ZINC000740356717 603119513 /nfs/dbraw/zinc/11/95/13/603119513.db2.gz NSSXDUSBAZIYRZ-FOCLMDBBSA-N -1 0 379.417 -0.295 20 30 GBEDRM O=C([O-])N1CCN(CCCNC(=O)CCNC(=O)C2N=CC=CC2=O)CC1 ZINC000740356719 603119457 /nfs/dbraw/zinc/11/94/57/603119457.db2.gz NSSXDUSBAZIYRZ-NXVVXOECSA-N -1 0 379.417 -0.295 20 30 GBEDRM O=C([O-])N1CCN(CCNC(=O)NCCNC(=O)C2N=CC=CC2=O)CC1 ZINC000740442499 602623519 /nfs/dbraw/zinc/62/35/19/602623519.db2.gz WTVULTWWCKFGSY-BUHFOSPRSA-N -1 0 380.405 -0.892 20 30 GBEDRM O=C([O-])N1CCN(CCNC(=O)NCCNC(=O)C2N=CC=CC2=O)CC1 ZINC000740442500 602623530 /nfs/dbraw/zinc/62/35/30/602623530.db2.gz WTVULTWWCKFGSY-YPKPFQOOSA-N -1 0 380.405 -0.892 20 30 GBEDRM COCCS(=O)(=O)[N-]C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000744125785 637635676 /nfs/dbraw/zinc/63/56/76/637635676.db2.gz SIUICXAOCUHFSR-JTQLQIEISA-N -1 0 389.455 -0.404 20 30 GBEDRM COCCS(=O)(=O)[N-]C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000744125787 637635434 /nfs/dbraw/zinc/63/54/34/637635434.db2.gz SIUICXAOCUHFSR-SNVBAGLBSA-N -1 0 389.455 -0.404 20 30 GBEDRM CCN(C)S(=O)(=O)[N-]C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000744240364 637635497 /nfs/dbraw/zinc/63/54/97/637635497.db2.gz NFIGROPZTAWCER-JTQLQIEISA-N -1 0 388.471 -0.184 20 30 GBEDRM CCN(C)S(=O)(=O)[N-]C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000744240365 637635635 /nfs/dbraw/zinc/63/56/35/637635635.db2.gz NFIGROPZTAWCER-SNVBAGLBSA-N -1 0 388.471 -0.184 20 30 GBEDRM C#CCNS(=O)(=O)c1cccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c1 ZINC000747340509 637649419 /nfs/dbraw/zinc/64/94/19/637649419.db2.gz AGZFBHUADPAJFD-UHFFFAOYSA-N -1 0 383.411 -0.628 20 30 GBEDRM C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1 ZINC000747341915 637649528 /nfs/dbraw/zinc/64/95/28/637649528.db2.gz IRZQWFKVXKUUMO-UHFFFAOYSA-N -1 0 383.411 -0.628 20 30 GBEDRM CC(N=Nc1nccn(C)c1=O)c1ccc(S(=O)(=O)NCC(=O)[O-])cc1 ZINC000748078741 1072188278 /nfs/dbraw/zinc/18/82/78/1072188278.db2.gz FDGXGYSZYGWVHC-UHFFFAOYSA-N -1 0 379.398 -0.021 20 30 GBEDRM CSc1[n-]c(=O)c(C(=O)NCCS(=O)(=O)N2CCOCC2)cc1C#N ZINC000748097894 637653508 /nfs/dbraw/zinc/65/35/08/637653508.db2.gz MWJDKJSQJUQSLF-UHFFFAOYSA-N -1 0 386.455 -0.227 20 30 GBEDRM C#CCOCCNC(=O)NCCN=c1ncnc2n(C)[n-]c(Br)c1-2 ZINC000753159368 637681013 /nfs/dbraw/zinc/68/10/13/637681013.db2.gz MUOIYMYQDBABAR-UHFFFAOYSA-N -1 0 396.249 -0.140 20 30 GBEDRM COc1nc(Cl)c(C=N[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)s1 ZINC000755805412 637697766 /nfs/dbraw/zinc/69/77/66/637697766.db2.gz UUSUKGGLGCYOSX-UHFFFAOYSA-N -1 0 393.834 -0.485 20 30 GBEDRM N#Cc1cc(F)c(S(=O)(=O)[N-]CCS(=O)(=O)N2CCOCC2)c(F)c1 ZINC000757879314 637710675 /nfs/dbraw/zinc/71/06/75/637710675.db2.gz ALWVBHUJDCBOJX-UHFFFAOYSA-N -1 0 395.409 -0.223 20 30 GBEDRM O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC1(C(=O)[O-])CCOCC1 ZINC000762185578 605099485 /nfs/dbraw/zinc/09/94/85/605099485.db2.gz UHFUSHDGVKAGEU-UHFFFAOYSA-N -1 0 381.410 -0.277 20 30 GBEDRM O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000762237503 939072745 /nfs/dbraw/zinc/07/27/45/939072745.db2.gz PREAPIRCQZVJTB-HZMBPMFUSA-N -1 0 381.410 -0.279 20 30 GBEDRM O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000762237505 939072767 /nfs/dbraw/zinc/07/27/67/939072767.db2.gz PREAPIRCQZVJTB-YGRLFVJLSA-N -1 0 381.410 -0.279 20 30 GBEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)CCN1CCCS1(=O)=O ZINC000766978976 637753466 /nfs/dbraw/zinc/75/34/66/637753466.db2.gz UGBRLDMSLMREEA-UHFFFAOYSA-N -1 0 387.439 -0.203 20 30 GBEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000766985430 637754223 /nfs/dbraw/zinc/75/42/23/637754223.db2.gz DRUFRDMVBMHQKJ-LLVKDONJSA-N -1 0 387.439 -0.204 20 30 GBEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000766985431 637754457 /nfs/dbraw/zinc/75/44/57/637754457.db2.gz DRUFRDMVBMHQKJ-NSHDSACASA-N -1 0 387.439 -0.204 20 30 GBEDRM O=C([O-])CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C1CCOCC1 ZINC000767040087 600959061 /nfs/dbraw/zinc/95/90/61/600959061.db2.gz TVQYSBIPBDKFSJ-UHFFFAOYSA-N -1 0 381.410 -0.183 20 30 GBEDRM O=C([O-])CC1(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 ZINC000767050836 601329239 /nfs/dbraw/zinc/32/92/39/601329239.db2.gz HWVJDJRTYTZDJK-UHFFFAOYSA-N -1 0 381.410 -0.135 20 30 GBEDRM C=CCS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC000768428207 637763248 /nfs/dbraw/zinc/76/32/48/637763248.db2.gz LNUGARSMVKABLN-UHFFFAOYSA-N -1 0 376.456 -0.027 20 30 GBEDRM O=C([O-])Cn1cc(CN=Nc2ccc(S(=O)(=O)N3CCCC3)cn2)nn1 ZINC000768483636 978737733 /nfs/dbraw/zinc/73/77/33/978737733.db2.gz QBINIRBQHQBDOU-UHFFFAOYSA-N -1 0 379.402 -0.012 20 30 GBEDRM C[C@H](CC(=O)N1CCO[C@H](C(=O)[O-])C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000769521484 600876080 /nfs/dbraw/zinc/87/60/80/600876080.db2.gz HDOKRUIDWHVYMH-PWSUYJOCSA-N -1 0 381.410 -0.184 20 30 GBEDRM C[C@H](CC(=O)N1CCO[C@@H](C(=O)[O-])C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000769521487 600876118 /nfs/dbraw/zinc/87/61/18/600876118.db2.gz HDOKRUIDWHVYMH-ZYHUDNBSSA-N -1 0 381.410 -0.184 20 30 GBEDRM N#CC1(CS(=O)(=O)[N-]C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CCC1 ZINC000771073596 637777685 /nfs/dbraw/zinc/77/76/85/637777685.db2.gz DGJWJEXGCNYLCR-UHFFFAOYSA-N -1 0 384.439 -0.376 20 30 GBEDRM CN(CC(=O)[N-]S(=O)(=O)CC1(C#N)CCC1)S(=O)(=O)c1cccnc1 ZINC000771074389 637777827 /nfs/dbraw/zinc/77/78/27/637777827.db2.gz RJGQFQLNRRBUGN-UHFFFAOYSA-N -1 0 386.455 -0.158 20 30 GBEDRM Cn1cc(S(=O)(=O)[N-]N=Cc2cc(F)c(F)cc2F)c(=O)n(C)c1=O ZINC000771889294 637781611 /nfs/dbraw/zinc/78/16/11/637781611.db2.gz ANHZCXZKSRVOHO-UHFFFAOYSA-N -1 0 376.316 -0.186 20 30 GBEDRM CCc1nn(C)c(Cl)c1C=N[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000771889971 637781409 /nfs/dbraw/zinc/78/14/09/637781409.db2.gz CTCZLTACQQEIKG-UHFFFAOYSA-N -1 0 388.837 -0.654 20 30 GBEDRM Cc1nc2c(s1)C(=N[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CCC2 ZINC000771890298 637781569 /nfs/dbraw/zinc/78/15/69/637781569.db2.gz FUVPUIJBAVTGCP-UHFFFAOYSA-N -1 0 383.455 -0.132 20 30 GBEDRM Cc1nc2sccn2c1C=N[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000771891550 637781375 /nfs/dbraw/zinc/78/13/75/637781375.db2.gz UQIZKLWJGWYWMV-UHFFFAOYSA-N -1 0 382.427 -0.586 20 30 GBEDRM CC(=O)Nc1ccsc1C=N[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000771896719 637781599 /nfs/dbraw/zinc/78/15/99/637781599.db2.gz HMFOJPJWBHDGAC-UHFFFAOYSA-N -1 0 385.427 -0.584 20 30 GBEDRM Cn1cc(S(=O)(=O)[N-]N=Cc2occc2Br)c(=O)n(C)c1=O ZINC000771898074 637781653 /nfs/dbraw/zinc/78/16/53/637781653.db2.gz UASARSANYUPGPK-UHFFFAOYSA-N -1 0 391.203 -0.248 20 30 GBEDRM Cn1cc(S(=O)(=O)[N-]N=Cc2cc(F)c(F)c(F)c2)c(=O)n(C)c1=O ZINC000771898546 637781454 /nfs/dbraw/zinc/78/14/54/637781454.db2.gz ZHDSWIPACJEFBE-UHFFFAOYSA-N -1 0 376.316 -0.186 20 30 GBEDRM C=CCS(=O)(=O)[N-]C(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O ZINC000772710021 637784498 /nfs/dbraw/zinc/78/44/98/637784498.db2.gz MAPJINCIGDNVEC-UHFFFAOYSA-N -1 0 391.471 -0.489 20 30 GBEDRM C=CCS(=O)(=O)[N-]C(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O ZINC000772712252 637784482 /nfs/dbraw/zinc/78/44/82/637784482.db2.gz AQEIROKGCUUHCL-UHFFFAOYSA-N -1 0 388.423 -0.277 20 30 GBEDRM C=CCS(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000772718086 637784445 /nfs/dbraw/zinc/78/44/45/637784445.db2.gz MDQAKTNNYOCMGV-UHFFFAOYSA-N -1 0 379.485 -0.002 20 30 GBEDRM C=CCS(=O)(=O)[N-]C(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000772718624 637784349 /nfs/dbraw/zinc/78/43/49/637784349.db2.gz SZLWDKSBSWNQAX-UHFFFAOYSA-N -1 0 390.219 -0.476 20 30 GBEDRM C=CCS(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000772718864 637785062 /nfs/dbraw/zinc/78/50/62/637785062.db2.gz ZFLXMHNUUFHSLA-UHFFFAOYSA-N -1 0 377.444 -0.708 20 30 GBEDRM C=CCS(=O)(=O)[N-]C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000772720376 637785292 /nfs/dbraw/zinc/78/52/92/637785292.db2.gz LEJGSQBODHKOBS-UHFFFAOYSA-N -1 0 387.439 -0.947 20 30 GBEDRM C=CCS(=O)(=O)[N-]C(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000772721191 637785240 /nfs/dbraw/zinc/78/52/40/637785240.db2.gz GPYAIRMXQAEWGJ-UHFFFAOYSA-N -1 0 389.455 -0.103 20 30 GBEDRM C=CCS(=O)(=O)[N-]C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000772721590 637785311 /nfs/dbraw/zinc/78/53/11/637785311.db2.gz TZPPDLZLADTEID-UHFFFAOYSA-N -1 0 377.400 -0.153 20 30 GBEDRM C=CCS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000772721657 637785143 /nfs/dbraw/zinc/78/51/43/637785143.db2.gz WBOJVLLRNNHIPL-UHFFFAOYSA-N -1 0 387.439 -0.947 20 30 GBEDRM N#CCCCS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000776116452 637801120 /nfs/dbraw/zinc/80/11/20/637801120.db2.gz SDYZHXHUFZSWBR-UHFFFAOYSA-N -1 0 391.427 -0.336 20 30 GBEDRM CN(CC(=O)[N-]S(=O)(=O)CCCC#N)C1=NS(=O)(=O)c2ccccc21 ZINC000776123518 637800944 /nfs/dbraw/zinc/80/09/44/637800944.db2.gz NXPZMLFEWJVQSW-UHFFFAOYSA-N -1 0 384.439 -0.183 20 30 GBEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000776143574 637801863 /nfs/dbraw/zinc/80/18/63/637801863.db2.gz RCOVCYDHTMIZBE-UHFFFAOYSA-N -1 0 387.439 -0.445 20 30 GBEDRM CC(C)(C#N)CS(=O)(=O)[N-]C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000776145564 637801930 /nfs/dbraw/zinc/80/19/30/637801930.db2.gz CXDQBRXLNGTAQB-UHFFFAOYSA-N -1 0 385.423 -0.173 20 30 GBEDRM O=C([O-])[C@H]1COCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000776628880 601720444 /nfs/dbraw/zinc/72/04/44/601720444.db2.gz PFPVJLCTEUHBEU-GFCCVEGCSA-N -1 0 381.410 -0.183 20 30 GBEDRM O=C([O-])[C@@H]1COCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000776628881 601720380 /nfs/dbraw/zinc/72/03/80/601720380.db2.gz PFPVJLCTEUHBEU-LBPRGKRZSA-N -1 0 381.410 -0.183 20 30 GBEDRM O=C([O-])C1(O)CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 ZINC000776643153 978765057 /nfs/dbraw/zinc/76/50/57/978765057.db2.gz DTPZEGSPFKYNGI-UHFFFAOYSA-N -1 0 395.437 -0.057 20 30 GBEDRM O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@]1(C(=O)[O-])CCOC1 ZINC000776681187 601767412 /nfs/dbraw/zinc/76/74/12/601767412.db2.gz VJGPCKDEMVHAGN-INIZCTEOSA-N -1 0 381.410 -0.135 20 30 GBEDRM O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@]1(C(=O)[O-])CCOC1 ZINC000776681188 601767493 /nfs/dbraw/zinc/76/74/93/601767493.db2.gz VJGPCKDEMVHAGN-MRXNPFEDSA-N -1 0 381.410 -0.135 20 30 GBEDRM CC(C)(C)OC(=O)NCC(=O)NCC(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000777350605 637809794 /nfs/dbraw/zinc/80/97/94/637809794.db2.gz MJPJXRIDYLQKJI-UHFFFAOYSA-N -1 0 376.435 -0.377 20 30 GBEDRM CS(=O)(=O)N1CCN(CC(=O)[N-]S(=O)(=O)CC2(C#N)CCCC2)CC1 ZINC000778714540 637817235 /nfs/dbraw/zinc/81/72/35/637817235.db2.gz VCGKHXAIHXXKOO-UHFFFAOYSA-N -1 0 392.503 -0.906 20 30 GBEDRM CN(C)S(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)n(C)c1 ZINC000779258172 637819522 /nfs/dbraw/zinc/81/95/22/637819522.db2.gz ZRFCHHNLJPBDFQ-UHFFFAOYSA-N -1 0 376.460 -0.115 20 30 GBEDRM C#CCNS(=O)(=O)c1cccc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)c1 ZINC000780313428 605540623 /nfs/dbraw/zinc/54/06/23/605540623.db2.gz HUKSBCNXRZIXEZ-UHFFFAOYSA-N -1 0 389.393 -0.415 20 30 GBEDRM C#CCNS(=O)(=O)c1ccc(C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)cc1 ZINC000780313569 605530600 /nfs/dbraw/zinc/53/06/00/605530600.db2.gz WEEOBNIPKRKLGW-UHFFFAOYSA-N -1 0 389.393 -0.415 20 30 GBEDRM O=C([O-])c1cn(C2CN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)nn1 ZINC000780314714 978786728 /nfs/dbraw/zinc/78/67/28/978786728.db2.gz HHJUTHDJYITOCK-UHFFFAOYSA-N -1 0 390.381 -0.902 20 30 GBEDRM N#Cc1c(F)cccc1S(=O)(=O)[N-]C(=O)CCN1CCCS1(=O)=O ZINC000781597814 637827404 /nfs/dbraw/zinc/82/74/04/637827404.db2.gz MPSAERFETVEUPE-UHFFFAOYSA-N -1 0 375.403 -0.072 20 30 GBEDRM CS(=O)(=O)N1CCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000781598284 637827116 /nfs/dbraw/zinc/82/71/16/637827116.db2.gz SMHCMXFRWOQUMM-LLVKDONJSA-N -1 0 375.403 -0.074 20 30 GBEDRM CS(=O)(=O)N1CCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000781598287 637827202 /nfs/dbraw/zinc/82/72/02/637827202.db2.gz SMHCMXFRWOQUMM-NSHDSACASA-N -1 0 375.403 -0.074 20 30 GBEDRM COc1cccc(CC(C)=N[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n1 ZINC000782907891 1073047488 /nfs/dbraw/zinc/04/74/88/1073047488.db2.gz MDHGXKVDGBXBSR-UHFFFAOYSA-N -1 0 381.414 -0.616 20 30 GBEDRM Cn1cc(S(=O)(=O)[N-]N=Cc2ncc(C(F)(F)F)s2)c(=O)n(C)c1=O ZINC000788437902 637861974 /nfs/dbraw/zinc/86/19/74/637861974.db2.gz XEBMKDHKZPATBL-UHFFFAOYSA-N -1 0 397.360 -0.128 20 30 GBEDRM Cn1cc(S(=O)(=O)[N-]N=Cc2c(O)ccc(Cl)c2F)c(=O)n(C)c1=O ZINC000790172527 637870888 /nfs/dbraw/zinc/87/08/88/637870888.db2.gz QDOZXMHAMARCMV-UHFFFAOYSA-N -1 0 390.780 -0.106 20 30 GBEDRM N#CC1(CS(=O)(=O)[N-]C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 ZINC000793204177 637882179 /nfs/dbraw/zinc/88/21/79/637882179.db2.gz JREIAOLPJMVOCP-UHFFFAOYSA-N -1 0 383.407 -0.419 20 30 GBEDRM Cn1cc(S(=O)(=O)[N-]N=Cc2cc(C(F)(F)F)n[nH]2)c(=O)n(C)c1=O ZINC000799482219 637909703 /nfs/dbraw/zinc/90/97/03/637909703.db2.gz BLTNUFXMCLMARF-UHFFFAOYSA-N -1 0 380.308 -0.862 20 30 GBEDRM Cn1cc(S(=O)(=O)[N-]N=Cc2ccc(C(F)(F)F)[nH]2)c(=O)n(C)c1=O ZINC000807978988 637935477 /nfs/dbraw/zinc/93/54/77/637935477.db2.gz KLOIPGLBQUJXBS-UHFFFAOYSA-N -1 0 379.320 -0.257 20 30 GBEDRM Cn1cc(S(=O)(=O)[N-]N=Cc2c[nH]c(C(F)(F)F)c2)c(=O)n(C)c1=O ZINC000807979327 637935461 /nfs/dbraw/zinc/93/54/61/637935461.db2.gz QGNOHDDJUHEXQO-UHFFFAOYSA-N -1 0 379.320 -0.257 20 30 GBEDRM CCO[C@H]1CC(=N[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1SC ZINC000807979856 637935315 /nfs/dbraw/zinc/93/53/15/637935315.db2.gz YPMMDIYDXGZJLY-GXSJLCMTSA-N -1 0 376.460 -0.741 20 30 GBEDRM CCO[C@@H]1CC(=N[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]1SC ZINC000807979862 637935384 /nfs/dbraw/zinc/93/53/84/637935384.db2.gz YPMMDIYDXGZJLY-KOLCDFICSA-N -1 0 376.460 -0.741 20 30 GBEDRM CCO[C@@H]1CC(=N[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1SC ZINC000807979864 637935253 /nfs/dbraw/zinc/93/52/53/637935253.db2.gz YPMMDIYDXGZJLY-MWLCHTKSSA-N -1 0 376.460 -0.741 20 30 GBEDRM CCO[C@H]1CC(=N[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]1SC ZINC000807979867 637935352 /nfs/dbraw/zinc/93/53/52/637935352.db2.gz YPMMDIYDXGZJLY-ONGXEEELSA-N -1 0 376.460 -0.741 20 30 GBEDRM Cc1nn2c([n-]nc2SCCS(=O)(=O)c2ccc(C#N)cn2)nc1=O ZINC000808021583 637936295 /nfs/dbraw/zinc/93/62/95/637936295.db2.gz SSVDKSYBSDFDLI-UHFFFAOYSA-N -1 0 377.411 -0.046 20 30 GBEDRM C#CCCS(=O)(=O)NCCN=c1ncnc2n(C)[n-]c(Br)c1-2 ZINC000808290723 637937861 /nfs/dbraw/zinc/93/78/61/637937861.db2.gz YJDBZAFHYVUENZ-UHFFFAOYSA-N -1 0 387.263 -0.146 20 30 GBEDRM CC#CCS(=O)(=O)[N-]C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000810773603 637948886 /nfs/dbraw/zinc/94/88/86/637948886.db2.gz CDONOESIBKAPTR-UHFFFAOYSA-N -1 0 386.451 -0.210 20 30 GBEDRM CC#CCS(=O)(=O)[N-]C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000810774809 637949008 /nfs/dbraw/zinc/94/90/08/637949008.db2.gz RUVGIACMLJZAEF-UHFFFAOYSA-N -1 0 385.467 -0.048 20 30 GBEDRM CC#CCS(=O)(=O)[N-]C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000810775407 637949700 /nfs/dbraw/zinc/94/97/00/637949700.db2.gz DWGOIHDXZAZSNZ-UHFFFAOYSA-N -1 0 389.411 -0.315 20 30 GBEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 ZINC000810775450 637949534 /nfs/dbraw/zinc/94/95/34/637949534.db2.gz GVUJDPQBCHMJOP-UHFFFAOYSA-N -1 0 386.451 -0.369 20 30 GBEDRM CC#CCS(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000810776653 637949404 /nfs/dbraw/zinc/94/94/04/637949404.db2.gz BTQMEKLPFXOMLC-UHFFFAOYSA-N -1 0 389.455 -0.871 20 30 GBEDRM CC#CCS(=O)(=O)[N-]C(=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000810776894 637949414 /nfs/dbraw/zinc/94/94/14/637949414.db2.gz MQAUQLUBEOEMIG-UHFFFAOYSA-N -1 0 392.480 -0.148 20 30 GBEDRM CC#CCS(=O)(=O)[N-]C(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000810777021 637949623 /nfs/dbraw/zinc/94/96/23/637949623.db2.gz RQQSYZPGCJWVGA-UHFFFAOYSA-N -1 0 384.479 0.000 20 30 GBEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000810777117 637949487 /nfs/dbraw/zinc/94/94/87/637949487.db2.gz APSCUFZPYZWDGC-UHFFFAOYSA-N -1 0 386.451 -0.210 20 30 GBEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000810778283 637949748 /nfs/dbraw/zinc/94/97/48/637949748.db2.gz RZCORGKKRPABGY-UHFFFAOYSA-N -1 0 376.412 -0.617 20 30 GBEDRM CC#CCS(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000810778818 637949607 /nfs/dbraw/zinc/94/96/07/637949607.db2.gz NRSZCXZQCVFPAR-UHFFFAOYSA-N -1 0 391.496 -0.165 20 30 GBEDRM CC#CCS(=O)(=O)[N-]C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000810778892 637949548 /nfs/dbraw/zinc/94/95/48/637949548.db2.gz QJMRABTUOQLIOS-LLVKDONJSA-N -1 0 383.451 -0.027 20 30 GBEDRM CC#CCS(=O)(=O)[N-]C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000810778893 637949677 /nfs/dbraw/zinc/94/96/77/637949677.db2.gz QJMRABTUOQLIOS-NSHDSACASA-N -1 0 383.451 -0.027 20 30 GBEDRM CC#CCS(=O)(=O)[N-]C(=O)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000810778974 637949779 /nfs/dbraw/zinc/94/97/79/637949779.db2.gz SYFMUWIFZVZNTB-UHFFFAOYSA-N -1 0 386.451 -0.210 20 30 GBEDRM C#CCCS(=O)(=O)[N-]C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000810781863 637949429 /nfs/dbraw/zinc/94/94/29/637949429.db2.gz WERAQASXBSRUDW-UHFFFAOYSA-N -1 0 385.467 -0.048 20 30 GBEDRM C#CCCS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 ZINC000810782335 637949413 /nfs/dbraw/zinc/94/94/13/637949413.db2.gz MYRUIMNCYLMCEH-UHFFFAOYSA-N -1 0 386.451 -0.369 20 30 GBEDRM C#CCCS(=O)(=O)[N-]C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000810782444 637949563 /nfs/dbraw/zinc/94/95/63/637949563.db2.gz MWAUVFXJDGSVDE-UHFFFAOYSA-N -1 0 386.451 -0.210 20 30 GBEDRM C#CCCS(=O)(=O)[N-]C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000810783130 637949686 /nfs/dbraw/zinc/94/96/86/637949686.db2.gz GKZQYPABATVDCO-UHFFFAOYSA-N -1 0 389.411 -0.315 20 30 GBEDRM C#CCCS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000810784871 637949769 /nfs/dbraw/zinc/94/97/69/637949769.db2.gz QTSOCUOQEYUJJU-UHFFFAOYSA-N -1 0 386.451 -0.210 20 30 GBEDRM C#CCCS(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000810785367 637949578 /nfs/dbraw/zinc/94/95/78/637949578.db2.gz FIRSEIFVLWWDCB-UHFFFAOYSA-N -1 0 389.455 -0.871 20 30 GBEDRM C#CCCS(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000810785467 637949671 /nfs/dbraw/zinc/94/96/71/637949671.db2.gz IGHNWNSWROYSOH-UHFFFAOYSA-N -1 0 376.412 -0.617 20 30 GBEDRM C#CCCS(=O)(=O)[N-]C(=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000810785483 637949664 /nfs/dbraw/zinc/94/96/64/637949664.db2.gz JDBBYNDLXFFYAY-UHFFFAOYSA-N -1 0 392.480 -0.148 20 30 GBEDRM C#CCCS(=O)(=O)[N-]C(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 ZINC000810785992 637949710 /nfs/dbraw/zinc/94/97/10/637949710.db2.gz WJEGTHWQLGKUQV-UHFFFAOYSA-N -1 0 384.479 0.000 20 30 GBEDRM C#CCCS(=O)(=O)[N-]C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000810786370 637949631 /nfs/dbraw/zinc/94/96/31/637949631.db2.gz GIRCHYHERKYWKJ-LLVKDONJSA-N -1 0 383.451 -0.027 20 30 GBEDRM C#CCCS(=O)(=O)[N-]C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000810786371 637949717 /nfs/dbraw/zinc/94/97/17/637949717.db2.gz GIRCHYHERKYWKJ-NSHDSACASA-N -1 0 383.451 -0.027 20 30 GBEDRM C#CCCS(=O)(=O)[N-]C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000810786472 637949586 /nfs/dbraw/zinc/94/95/86/637949586.db2.gz KDDISUYFOZKHJW-UHFFFAOYSA-N -1 0 391.496 -0.165 20 30 GBEDRM C#CCCS(=O)(=O)[N-]C(=O)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000810786527 637949621 /nfs/dbraw/zinc/94/96/21/637949621.db2.gz MROWIESYRNVMHV-UHFFFAOYSA-N -1 0 386.451 -0.210 20 30 GBEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000810985705 637951634 /nfs/dbraw/zinc/95/16/34/637951634.db2.gz QWBNYHKLILEHOG-NEPJUHHUSA-N -1 0 390.483 -0.423 20 30 GBEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000810985707 637951473 /nfs/dbraw/zinc/95/14/73/637951473.db2.gz QWBNYHKLILEHOG-NWDGAFQWSA-N -1 0 390.483 -0.423 20 30 GBEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000810985708 637951645 /nfs/dbraw/zinc/95/16/45/637951645.db2.gz QWBNYHKLILEHOG-RYUDHWBXSA-N -1 0 390.483 -0.423 20 30 GBEDRM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000810985709 637951502 /nfs/dbraw/zinc/95/15/02/637951502.db2.gz QWBNYHKLILEHOG-VXGBXAGGSA-N -1 0 390.483 -0.423 20 30 GBEDRM C=CCS(=O)(=O)CCNC(=O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000810995759 637951569 /nfs/dbraw/zinc/95/15/69/637951569.db2.gz PDXHQWLMEBXYTK-UHFFFAOYSA-N -1 0 382.410 -0.040 20 30 GBEDRM CCS(=O)(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)C1 ZINC000813980319 637963317 /nfs/dbraw/zinc/96/33/17/637963317.db2.gz AKSODNNCLRNJBJ-GFCCVEGCSA-N -1 0 386.455 -0.180 20 30 GBEDRM CCS(=O)(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)C1 ZINC000813980320 637963222 /nfs/dbraw/zinc/96/32/22/637963222.db2.gz AKSODNNCLRNJBJ-LBPRGKRZSA-N -1 0 386.455 -0.180 20 30 GBEDRM CN(C)S(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)co1 ZINC000813980849 637963228 /nfs/dbraw/zinc/96/32/28/637963228.db2.gz JOZBIYYNXWZXBS-UHFFFAOYSA-N -1 0 384.395 -0.085 20 30 GBEDRM CN(C)S(=O)(=O)c1c[nH]c(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)c1 ZINC000813982518 637963293 /nfs/dbraw/zinc/96/32/93/637963293.db2.gz LRQGNBLJJNLYQT-UHFFFAOYSA-N -1 0 383.411 -0.350 20 30 GBEDRM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cncc(C#N)c2)o1 ZINC000813984818 637963132 /nfs/dbraw/zinc/96/31/32/637963132.db2.gz CCFMUELDSNQJMP-UHFFFAOYSA-N -1 0 384.395 -0.085 20 30 GBEDRM O=C1[N-]C(=O)C(=NNS(=O)(=O)c2ccc(Br)cc2)C(=O)N1 ZINC000814213081 637964529 /nfs/dbraw/zinc/96/45/29/637964529.db2.gz WDRFBVQGYKALNQ-UHFFFAOYSA-N -1 0 375.160 -0.551 20 30 GBEDRM CSCc1cnc(C=N[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)s1 ZINC000814883163 637966438 /nfs/dbraw/zinc/96/64/38/637966438.db2.gz CNDKHRDQONRHDP-UHFFFAOYSA-N -1 0 389.484 -0.284 20 30 GBEDRM Cn1cc(S(=O)(=O)[N-]N=C2CCO[C@@H](C(F)(F)F)C2)c(=O)n(C)c1=O ZINC000814883201 637965997 /nfs/dbraw/zinc/96/59/97/637965997.db2.gz DPCMZLQVEAVGSG-SECBINFHSA-N -1 0 384.336 -0.540 20 30 GBEDRM Cn1cc(S(=O)(=O)[N-]N=C2CCO[C@H](C(F)(F)F)C2)c(=O)n(C)c1=O ZINC000814883202 637966196 /nfs/dbraw/zinc/96/61/96/637966196.db2.gz DPCMZLQVEAVGSG-VIFPVBQESA-N -1 0 384.336 -0.540 20 30 GBEDRM Cn1cc(S(=O)(=O)[N-]N=C2COc3ccc(Cl)cc32)c(=O)n(C)c1=O ZINC000814883212 637966061 /nfs/dbraw/zinc/96/60/61/637966061.db2.gz DYCLAZDZAGDIIB-UHFFFAOYSA-N -1 0 384.801 -0.188 20 30 GBEDRM Cn1cc(S(=O)(=O)[N-]N=Cc2nc3c(s2)CCCC3)c(=O)n(C)c1=O ZINC000814883277 637966287 /nfs/dbraw/zinc/96/62/87/637966287.db2.gz HUHCERXESHFZOB-UHFFFAOYSA-N -1 0 383.455 -0.268 20 30 GBEDRM Cn1cc(S(=O)(=O)[N-]N=C2COc3cccc(Cl)c32)c(=O)n(C)c1=O ZINC000814883439 637966327 /nfs/dbraw/zinc/96/63/27/637966327.db2.gz NPDDCOIYWZSZTA-UHFFFAOYSA-N -1 0 384.801 -0.188 20 30 GBEDRM Cn1cc(S(=O)(=O)[N-]N=C2CCCc3nc(N)sc32)c(=O)n(C)c1=O ZINC000814883611 637966272 /nfs/dbraw/zinc/96/62/72/637966272.db2.gz TYCSNUXLFRJHAG-UHFFFAOYSA-N -1 0 384.443 -0.858 20 30 GBEDRM Cn1c(Cl)nc(Cl)c1C=N[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000814883620 637966363 /nfs/dbraw/zinc/96/63/63/637966363.db2.gz UGTISZUMDMPIMU-UHFFFAOYSA-N -1 0 395.228 -0.563 20 30 GBEDRM Cn1cc(S(=O)(=O)[N-]N=C2COc3c2cccc3Cl)c(=O)n(C)c1=O ZINC000814883633 637966381 /nfs/dbraw/zinc/96/63/81/637966381.db2.gz UYZHACCRLNTERP-UHFFFAOYSA-N -1 0 384.801 -0.188 20 30 GBEDRM Cn1cc(S(=O)(=O)[N-]N=Cc2ccc(Br)o2)c(=O)n(C)c1=O ZINC000814883661 637966347 /nfs/dbraw/zinc/96/63/47/637966347.db2.gz VXECPFREXUEQIH-UHFFFAOYSA-N -1 0 391.203 -0.248 20 30 GBEDRM Cn1cc(S(=O)(=O)[N-]N=Cc2cc(Cl)c(F)cc2O)c(=O)n(C)c1=O ZINC000814883717 637966124 /nfs/dbraw/zinc/96/61/24/637966124.db2.gz XSCKSTKUHJIGHU-UHFFFAOYSA-N -1 0 390.780 -0.106 20 30 GBEDRM CN(CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N)S(C)(=O)=O ZINC000816127834 637970390 /nfs/dbraw/zinc/97/03/90/637970390.db2.gz KAIMGPMYLBVJEX-UHFFFAOYSA-N -1 0 376.372 -0.837 20 30 GBEDRM N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)CN1CCCS1(=O)=O ZINC000816129260 637971482 /nfs/dbraw/zinc/97/14/82/637971482.db2.gz POYUYEYEHUIMPI-UHFFFAOYSA-N -1 0 388.383 -0.693 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)N(CC(=O)[O-])c2ccc3c(c2)OCO3)C1=O ZINC000817681105 597444532 /nfs/dbraw/zinc/44/45/32/597444532.db2.gz SVXUNSPZILWMMU-UHFFFAOYSA-N -1 0 389.320 -0.190 20 30 GBEDRM C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])CC1 ZINC000817685981 601488717 /nfs/dbraw/zinc/48/87/17/601488717.db2.gz VCMHHFSNPHYFGT-UHFFFAOYSA-N -1 0 388.424 -0.301 20 30 GBEDRM C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CC1 ZINC000817686004 602133376 /nfs/dbraw/zinc/13/33/76/602133376.db2.gz XXVRDDKVEFUFQA-UHFFFAOYSA-N -1 0 388.424 -0.301 20 30 GBEDRM C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)n1 ZINC000817901598 978906406 /nfs/dbraw/zinc/90/64/06/978906406.db2.gz CHBKPJAWXJSFBK-GOSISDBHSA-N -1 0 376.413 -0.186 20 30 GBEDRM C#CCn1ccc(CN(CCOC)C(=O)C(=O)N2CC[C@](C)(C(=O)[O-])C2)n1 ZINC000817901599 978906418 /nfs/dbraw/zinc/90/64/18/978906418.db2.gz CHBKPJAWXJSFBK-SFHVURJKSA-N -1 0 376.413 -0.186 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CC[NH+](C)C)CC(=O)[O-] ZINC000818051904 597228333 /nfs/dbraw/zinc/22/83/33/597228333.db2.gz BWNXMVODUXFFRP-GFCCVEGCSA-N -1 0 382.442 -0.300 20 30 GBEDRM C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CC[NH+](C)C)CC(=O)[O-] ZINC000818051909 597228495 /nfs/dbraw/zinc/22/84/95/597228495.db2.gz BWNXMVODUXFFRP-LBPRGKRZSA-N -1 0 382.442 -0.300 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CC[NH+](C)C)CC(=O)[O-] ZINC000818053527 597228448 /nfs/dbraw/zinc/22/84/48/597228448.db2.gz QFPSEPVFJKLPAV-GFCCVEGCSA-N -1 0 382.442 -0.300 20 30 GBEDRM C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CC[NH+](C)C)CC(=O)[O-] ZINC000818053529 597229005 /nfs/dbraw/zinc/22/90/05/597229005.db2.gz QFPSEPVFJKLPAV-LBPRGKRZSA-N -1 0 382.442 -0.300 20 30 GBEDRM COC[C@]1(C(=O)[O-])CCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC000818307039 978908152 /nfs/dbraw/zinc/90/81/52/978908152.db2.gz OEOHOMZRBZQUPI-INIZCTEOSA-N -1 0 381.410 -0.183 20 30 GBEDRM COC[C@@]1(C(=O)[O-])CCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC000818307043 978908249 /nfs/dbraw/zinc/90/82/49/978908249.db2.gz OEOHOMZRBZQUPI-MRXNPFEDSA-N -1 0 381.410 -0.183 20 30 GBEDRM N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCO[C@@H](C(=O)[O-])C3)n2)cc1 ZINC000819100583 597515224 /nfs/dbraw/zinc/51/52/24/597515224.db2.gz QVHFCRYXLMJJJI-CYBMUJFWSA-N -1 0 384.352 -0.551 20 30 GBEDRM N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCO[C@H](C(=O)[O-])C3)n2)cc1 ZINC000819100585 597515194 /nfs/dbraw/zinc/51/51/94/597515194.db2.gz QVHFCRYXLMJJJI-ZDUSSCGKSA-N -1 0 384.352 -0.551 20 30 GBEDRM O=C([O-])Cc1cccc(NC(=O)C(=O)NCCNC(=O)C2N=CC=CC2=O)c1 ZINC000819547974 597252941 /nfs/dbraw/zinc/25/29/41/597252941.db2.gz QZTXAQSLWRGAAR-FOCLMDBBSA-N -1 0 386.364 -0.105 20 30 GBEDRM O=C([O-])Cc1cccc(NC(=O)C(=O)NCCNC(=O)C2N=CC=CC2=O)c1 ZINC000819547979 597253444 /nfs/dbraw/zinc/25/34/44/597253444.db2.gz QZTXAQSLWRGAAR-NXVVXOECSA-N -1 0 386.364 -0.105 20 30 GBEDRM O=C([O-])Cc1ccccc1NC(=O)C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000819592138 597353275 /nfs/dbraw/zinc/35/32/75/597353275.db2.gz GQURYFQUTBCODZ-FOCLMDBBSA-N -1 0 386.364 -0.105 20 30 GBEDRM O=C([O-])Cc1ccccc1NC(=O)C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000819592139 597353220 /nfs/dbraw/zinc/35/32/20/597353220.db2.gz GQURYFQUTBCODZ-NXVVXOECSA-N -1 0 386.364 -0.105 20 30 GBEDRM C#CCN(CC#CC)CC(=O)N1CCN(c2oc(C)nc2-c2nnn[n-]2)CC1 ZINC000819698169 599640895 /nfs/dbraw/zinc/64/08/95/599640895.db2.gz TVPGXGZWSNICGA-UHFFFAOYSA-N -1 0 382.428 -0.230 20 30 GBEDRM C#CCN1CCN(C(=O)Cn2nc(CC)c(CC)c(-c3nnn[n-]3)c2=O)CC1 ZINC000819701291 606331966 /nfs/dbraw/zinc/33/19/66/606331966.db2.gz BOSOVLWDXOSNKK-UHFFFAOYSA-N -1 0 384.444 -0.674 20 30 GBEDRM C#CCN1CCN(C(=O)Cn2cc(-c3nnn[n-]3)c(=O)c3ccccc32)CC1 ZINC000819701907 606019115 /nfs/dbraw/zinc/01/91/15/606019115.db2.gz PQKVIPYJEWKRRC-UHFFFAOYSA-N -1 0 377.408 -0.041 20 30 GBEDRM C#CCNS(=O)(=O)c1ccc(C(=O)OCc2cn(CC(=O)[O-])nn2)cc1 ZINC000819706196 597359224 /nfs/dbraw/zinc/35/92/24/597359224.db2.gz QOCDZKFIPPMXHS-UHFFFAOYSA-N -1 0 378.366 -0.369 20 30 GBEDRM C#CCNS(=O)(=O)c1cccc(C(=O)OCc2cn(CC(=O)[O-])nn2)c1 ZINC000819706331 597355468 /nfs/dbraw/zinc/35/54/68/597355468.db2.gz XFLMUHCUDOXHPK-UHFFFAOYSA-N -1 0 378.366 -0.369 20 30 GBEDRM C#Cc1cccc(NC(=O)CN(C)c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)c1 ZINC000819710258 607328300 /nfs/dbraw/zinc/32/83/00/607328300.db2.gz ZUPBBWAJWOEJHZ-UHFFFAOYSA-N -1 0 394.395 -0.680 20 30 GBEDRM C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2F)CC1 ZINC000819720224 601342885 /nfs/dbraw/zinc/34/28/85/601342885.db2.gz OMBDZBZPOKXSBK-UHFFFAOYSA-N -1 0 392.387 -0.091 20 30 GBEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000819821111 598224020 /nfs/dbraw/zinc/22/40/20/598224020.db2.gz CKEHYJHDFUDHKC-INIZCTEOSA-N -1 0 380.426 -0.013 20 30 GBEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000819821113 598223979 /nfs/dbraw/zinc/22/39/79/598223979.db2.gz CKEHYJHDFUDHKC-MRXNPFEDSA-N -1 0 380.426 -0.013 20 30 GBEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000819823600 598228252 /nfs/dbraw/zinc/22/82/52/598228252.db2.gz VGGGDOLZBJEAFM-GOSISDBHSA-N -1 0 388.428 -0.034 20 30 GBEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000819823602 598228336 /nfs/dbraw/zinc/22/83/36/598228336.db2.gz VGGGDOLZBJEAFM-SFHVURJKSA-N -1 0 388.428 -0.034 20 30 GBEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000819842074 598225237 /nfs/dbraw/zinc/22/52/37/598225237.db2.gz IJIAIASARMZUGW-AWEZNQCLSA-N -1 0 384.370 -0.006 20 30 GBEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000819842075 598225229 /nfs/dbraw/zinc/22/52/29/598225229.db2.gz IJIAIASARMZUGW-CQSZACIVSA-N -1 0 384.370 -0.006 20 30 GBEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000819842207 598227864 /nfs/dbraw/zinc/22/78/64/598227864.db2.gz LKDLQLTWLOXBOK-AWEZNQCLSA-N -1 0 384.370 -0.006 20 30 GBEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000819842208 598227860 /nfs/dbraw/zinc/22/78/60/598227860.db2.gz LKDLQLTWLOXBOK-CQSZACIVSA-N -1 0 384.370 -0.006 20 30 GBEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000819842838 598225584 /nfs/dbraw/zinc/22/55/84/598225584.db2.gz VLDHHIQBHIVHFD-AWEZNQCLSA-N -1 0 384.370 -0.006 20 30 GBEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000819842839 598225535 /nfs/dbraw/zinc/22/55/35/598225535.db2.gz VLDHHIQBHIVHFD-CQSZACIVSA-N -1 0 384.370 -0.006 20 30 GBEDRM CC(C)(C)OC(=O)N1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)[C@@H](C#N)C1 ZINC000819933352 607221287 /nfs/dbraw/zinc/22/12/87/607221287.db2.gz OKKTZMJNZSLMSI-JTQLQIEISA-N -1 0 388.392 -0.570 20 30 GBEDRM CC(C)(C)OC(=O)N1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)[C@H](C#N)C1 ZINC000819933353 607221091 /nfs/dbraw/zinc/22/10/91/607221091.db2.gz OKKTZMJNZSLMSI-SNVBAGLBSA-N -1 0 388.392 -0.570 20 30 GBEDRM CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1 ZINC000820032683 597652832 /nfs/dbraw/zinc/65/28/32/597652832.db2.gz CHCMTZJMYPJVBJ-HNNXBMFYSA-N -1 0 375.447 -0.110 20 30 GBEDRM CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC1 ZINC000820032686 597652778 /nfs/dbraw/zinc/65/27/78/597652778.db2.gz CHCMTZJMYPJVBJ-OAHLLOKOSA-N -1 0 375.447 -0.110 20 30 GBEDRM C[C@H](CC(=O)OCC(=O)NCC(=O)[O-])/N=C1/NS(=O)(=O)c2ccccc21 ZINC000820088692 600714084 /nfs/dbraw/zinc/71/40/84/600714084.db2.gz CQDXPQAXCFRXJG-SECBINFHSA-N -1 0 383.382 -0.752 20 30 GBEDRM C[C@@H](CC(=O)OCC(=O)NCC(=O)[O-])/N=C1/NS(=O)(=O)c2ccccc21 ZINC000820088693 600714366 /nfs/dbraw/zinc/71/43/66/600714366.db2.gz CQDXPQAXCFRXJG-VIFPVBQESA-N -1 0 383.382 -0.752 20 30 GBEDRM C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1cn(CC(=O)[O-])nn1 ZINC000820148537 597356634 /nfs/dbraw/zinc/35/66/34/597356634.db2.gz OFXIXTSTZSDRIL-JTQLQIEISA-N -1 0 393.381 -0.355 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1cn(CC(=O)[O-])nn1 ZINC000820148538 597356420 /nfs/dbraw/zinc/35/64/20/597356420.db2.gz OFXIXTSTZSDRIL-SNVBAGLBSA-N -1 0 393.381 -0.355 20 30 GBEDRM C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1cn(CC(=O)[O-])nn1 ZINC000820148627 597356680 /nfs/dbraw/zinc/35/66/80/597356680.db2.gz QIMGUPNMJBEQDN-JTQLQIEISA-N -1 0 393.381 -0.355 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1cn(CC(=O)[O-])nn1 ZINC000820148629 597356602 /nfs/dbraw/zinc/35/66/02/597356602.db2.gz QIMGUPNMJBEQDN-SNVBAGLBSA-N -1 0 393.381 -0.355 20 30 GBEDRM C[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1 ZINC000820451419 607323906 /nfs/dbraw/zinc/32/39/06/607323906.db2.gz VMMHBXQZASYISK-LURJTMIESA-N -1 0 393.414 -0.172 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1 ZINC000820451431 607324075 /nfs/dbraw/zinc/32/40/75/607324075.db2.gz VMMHBXQZASYISK-ZCFIWIBFSA-N -1 0 393.414 -0.172 20 30 GBEDRM CN(C)C(=O)Cn1c(=O)c(=Cc2cccc(C(=O)[O-])c2)sc1=C(C#N)C#N ZINC000820530396 598201967 /nfs/dbraw/zinc/20/19/67/598201967.db2.gz IIXMWVXLHUFOGM-UHFFFAOYSA-N -1 0 382.401 -0.277 20 30 GBEDRM CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820597490 597655950 /nfs/dbraw/zinc/65/59/50/597655950.db2.gz USNYMONHYDBDEJ-INIZCTEOSA-N -1 0 383.426 -0.080 20 30 GBEDRM CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC000820597492 597655942 /nfs/dbraw/zinc/65/59/42/597655942.db2.gz USNYMONHYDBDEJ-MRXNPFEDSA-N -1 0 383.426 -0.080 20 30 GBEDRM C[C@@]1(c2ccc(C(=O)Nc3nc(C#N)c(-c4nn[nH]n4)[n-]3)cc2)NC(=O)NC1=O ZINC000820628787 606196812 /nfs/dbraw/zinc/19/68/12/606196812.db2.gz NWQLEULJLPNUPI-INIZCTEOSA-N -1 0 392.339 -0.232 20 30 GBEDRM C[C@]1(c2ccc(C(=O)Nc3nc(C#N)c(-c4nn[nH]n4)[n-]3)cc2)NC(=O)NC1=O ZINC000820628794 606196594 /nfs/dbraw/zinc/19/65/94/606196594.db2.gz NWQLEULJLPNUPI-MRXNPFEDSA-N -1 0 392.339 -0.232 20 30 GBEDRM CNC(=O)C(C#N)=c1sc(=Cc2cccc(C(=O)[O-])c2)c(=O)n1CCOC ZINC000820631448 598201775 /nfs/dbraw/zinc/20/17/75/598201775.db2.gz WBWDYNBCUPBCOO-UHFFFAOYSA-N -1 0 387.417 -0.497 20 30 GBEDRM C[C@@]1(c2cccc(C(=O)Nc3nc(C#N)c(-c4nn[nH]n4)[n-]3)c2)NC(=O)NC1=O ZINC000820636505 607192628 /nfs/dbraw/zinc/19/26/28/607192628.db2.gz SLZWODVTMLGGAG-INIZCTEOSA-N -1 0 392.339 -0.232 20 30 GBEDRM C[C@]1(c2cccc(C(=O)Nc3nc(C#N)c(-c4nn[nH]n4)[n-]3)c2)NC(=O)NC1=O ZINC000820636506 607192586 /nfs/dbraw/zinc/19/25/86/607192586.db2.gz SLZWODVTMLGGAG-MRXNPFEDSA-N -1 0 392.339 -0.232 20 30 GBEDRM CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1 ZINC000820645971 597645108 /nfs/dbraw/zinc/64/51/08/597645108.db2.gz STMFBUJBHYBYLR-HNNXBMFYSA-N -1 0 382.398 -0.346 20 30 GBEDRM CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1 ZINC000820645973 597644918 /nfs/dbraw/zinc/64/49/18/597644918.db2.gz STMFBUJBHYBYLR-OAHLLOKOSA-N -1 0 382.398 -0.346 20 30 GBEDRM COCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C(=O)[O-])c2)c(=O)n1C ZINC000820730125 598201977 /nfs/dbraw/zinc/20/19/77/598201977.db2.gz KAQCYDQHZSSLJU-UHFFFAOYSA-N -1 0 387.417 -0.589 20 30 GBEDRM COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000820732969 597819603 /nfs/dbraw/zinc/81/96/03/597819603.db2.gz KBGLUTMIGUROPQ-AWEZNQCLSA-N -1 0 377.353 -0.166 20 30 GBEDRM COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000820733030 597819577 /nfs/dbraw/zinc/81/95/77/597819577.db2.gz KBGLUTMIGUROPQ-CQSZACIVSA-N -1 0 377.353 -0.166 20 30 GBEDRM Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC2)cn1C ZINC000821176218 598230765 /nfs/dbraw/zinc/23/07/65/598230765.db2.gz NUWDTXLHKLGJPR-HNNXBMFYSA-N -1 0 383.430 -0.434 20 30 GBEDRM Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC2)cn1C ZINC000821176221 598230807 /nfs/dbraw/zinc/23/08/07/598230807.db2.gz NUWDTXLHKLGJPR-OAHLLOKOSA-N -1 0 383.430 -0.434 20 30 GBEDRM Cn1cc(S(=O)(=O)N2CCC(NC(=O)[C@](C)(C#N)CC(=O)[O-])CC2)cn1 ZINC000821297829 598228667 /nfs/dbraw/zinc/22/86/67/598228667.db2.gz KCTNRXMGUPEJTI-HNNXBMFYSA-N -1 0 383.430 -0.306 20 30 GBEDRM Cn1cc(S(=O)(=O)N2CCC(NC(=O)[C@@](C)(C#N)CC(=O)[O-])CC2)cn1 ZINC000821297835 598228649 /nfs/dbraw/zinc/22/86/49/598228649.db2.gz KCTNRXMGUPEJTI-OAHLLOKOSA-N -1 0 383.430 -0.306 20 30 GBEDRM Cn1cnc2c1c(=O)n(CCCOC(=O)[C@](C)(C#N)CC(=O)[O-])c(=O)n2C ZINC000821310665 597620365 /nfs/dbraw/zinc/62/03/65/597620365.db2.gz LMLTWFTXMBDPFW-INIZCTEOSA-N -1 0 377.357 -0.628 20 30 GBEDRM Cn1cnc2c1c(=O)n(CCCOC(=O)[C@@](C)(C#N)CC(=O)[O-])c(=O)n2C ZINC000821310666 597621077 /nfs/dbraw/zinc/62/10/77/597621077.db2.gz LMLTWFTXMBDPFW-MRXNPFEDSA-N -1 0 377.357 -0.628 20 30 GBEDRM N#Cc1ccc(S(=O)(=O)N(CC(=O)NCC(=O)[O-])C[C@H]2CCCO2)cc1 ZINC000821336087 597760755 /nfs/dbraw/zinc/76/07/55/597760755.db2.gz JYVHKHAJKNKFKO-CYBMUJFWSA-N -1 0 381.410 -0.071 20 30 GBEDRM N#Cc1ccc(S(=O)(=O)N(CC(=O)NCC(=O)[O-])C[C@@H]2CCCO2)cc1 ZINC000821336090 597760516 /nfs/dbraw/zinc/76/05/16/597760516.db2.gz JYVHKHAJKNKFKO-ZDUSSCGKSA-N -1 0 381.410 -0.071 20 30 GBEDRM CNC(=O)COc1cccc(CC(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c1 ZINC000821633973 607422314 /nfs/dbraw/zinc/42/23/14/607422314.db2.gz MUDVSQFYEVRSFC-UHFFFAOYSA-N -1 0 381.356 -0.233 20 30 GBEDRM CNS(=O)(=O)c1cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c(C)o1 ZINC000821637504 606285759 /nfs/dbraw/zinc/28/57/59/606285759.db2.gz IZFPANGQCDDHGP-UHFFFAOYSA-N -1 0 377.346 -0.477 20 30 GBEDRM CNS(=O)(=O)c1cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)ccc1F ZINC000821637553 606583624 /nfs/dbraw/zinc/58/36/24/606583624.db2.gz KXURJHFVYWUNJL-UHFFFAOYSA-N -1 0 391.348 -0.239 20 30 GBEDRM CNS(=O)(=O)c1csc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c1 ZINC000821637677 638002254 /nfs/dbraw/zinc/00/22/54/638002254.db2.gz PAWNRCVPURWWTL-UHFFFAOYSA-N -1 0 379.387 -0.317 20 30 GBEDRM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3CCO[C@H](C#N)C3)CC2)o1 ZINC000822422679 607451489 /nfs/dbraw/zinc/45/14/89/607451489.db2.gz BSNNAAUDCOOWSX-GFCCVEGCSA-N -1 0 387.404 -0.964 20 30 GBEDRM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3CCO[C@@H](C#N)C3)CC2)o1 ZINC000822422687 607450962 /nfs/dbraw/zinc/45/09/62/607450962.db2.gz BSNNAAUDCOOWSX-LBPRGKRZSA-N -1 0 387.404 -0.964 20 30 GBEDRM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3CCOC[C@H]3C#N)CC2)o1 ZINC000822423135 606091065 /nfs/dbraw/zinc/09/10/65/606091065.db2.gz HVISVRNSTYJXEK-GFCCVEGCSA-N -1 0 387.404 -0.964 20 30 GBEDRM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3CCOC[C@@H]3C#N)CC2)o1 ZINC000822423136 606089802 /nfs/dbraw/zinc/08/98/02/606089802.db2.gz HVISVRNSTYJXEK-LBPRGKRZSA-N -1 0 387.404 -0.964 20 30 GBEDRM Cc1oc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)cc1S(=O)(=O)N(C)C ZINC000822541367 606632988 /nfs/dbraw/zinc/63/29/88/606632988.db2.gz NRSXFYGMGFCMOD-UHFFFAOYSA-N -1 0 391.373 -0.135 20 30 GBEDRM Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1 ZINC000822548485 606606923 /nfs/dbraw/zinc/60/69/23/606606923.db2.gz LFEQMBHLZAXJTF-UHFFFAOYSA-N -1 0 391.373 -0.135 20 30 GBEDRM Cn1c(N)c(CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)c(=O)n(C)c1=O ZINC000822601055 606619087 /nfs/dbraw/zinc/61/90/87/606619087.db2.gz SUJNAOOUXHATKU-UHFFFAOYSA-N -1 0 388.392 -0.422 20 30 GBEDRM Cn1cc(-c2nnn[n-]2)c(=O)n(CCS(=O)(=O)c2ccc(C#N)cc2)c1=O ZINC000822605103 606308338 /nfs/dbraw/zinc/30/83/38/606308338.db2.gz YQGXSGMBYVTBTA-UHFFFAOYSA-N -1 0 387.381 -0.927 20 30 GBEDRM N#CC(C(=O)N1CCS(=O)(=O)CC1)=C([O-])c1ccc(-c2nn[nH]n2)s1 ZINC000822800951 606179528 /nfs/dbraw/zinc/17/95/28/606179528.db2.gz BTMNQDRCUDNJMZ-MRVPVSSYSA-N -1 0 380.411 -0.492 20 30 GBEDRM N#CC(C(=O)N1CCS(=O)(=O)CC1)=C([O-])c1ccc(-c2nn[nH]n2)s1 ZINC000822800952 606179539 /nfs/dbraw/zinc/17/95/39/606179539.db2.gz BTMNQDRCUDNJMZ-QMMMGPOBSA-N -1 0 380.411 -0.492 20 30 GBEDRM N#CC(C(=O)N1CCS(=O)(=O)CC1)=C([O-])c1cc(-c2nn[nH]n2)cs1 ZINC000822801833 606467650 /nfs/dbraw/zinc/46/76/50/606467650.db2.gz PFIXUZBRPASQLN-SECBINFHSA-N -1 0 380.411 -0.492 20 30 GBEDRM N#CC(C(=O)N1CCS(=O)(=O)CC1)=C([O-])c1cc(-c2nn[nH]n2)cs1 ZINC000822801834 606467617 /nfs/dbraw/zinc/46/76/17/606467617.db2.gz PFIXUZBRPASQLN-VIFPVBQESA-N -1 0 380.411 -0.492 20 30 GBEDRM N#C[C@@H](c1ccccc1)N1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC000822802003 606429141 /nfs/dbraw/zinc/42/91/41/606429141.db2.gz TZUZXGGZVJJMKM-AWEZNQCLSA-N -1 0 378.400 -0.133 20 30 GBEDRM N#C[C@H](c1ccccc1)N1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC000822802004 606429283 /nfs/dbraw/zinc/42/92/83/606429283.db2.gz TZUZXGGZVJJMKM-CQSZACIVSA-N -1 0 378.400 -0.133 20 30 GBEDRM N#C[C@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCN1Cc1ccccc1 ZINC000822806703 607217763 /nfs/dbraw/zinc/21/77/63/607217763.db2.gz RSHPYCXTMMQRJY-AWEZNQCLSA-N -1 0 378.400 -0.305 20 30 GBEDRM N#C[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CCN1Cc1ccccc1 ZINC000822806704 607217961 /nfs/dbraw/zinc/21/79/61/607217961.db2.gz RSHPYCXTMMQRJY-CQSZACIVSA-N -1 0 378.400 -0.305 20 30 GBEDRM N#Cc1nc(NC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)[n-]c1-c1nn[nH]n1 ZINC000822813970 599314370 /nfs/dbraw/zinc/31/43/70/599314370.db2.gz AESJGTMJXFMZCZ-JTQLQIEISA-N -1 0 391.351 -0.081 20 30 GBEDRM N#Cc1nc(NC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)[n-]c1-c1nn[nH]n1 ZINC000822813971 599314461 /nfs/dbraw/zinc/31/44/61/599314461.db2.gz AESJGTMJXFMZCZ-SNVBAGLBSA-N -1 0 391.351 -0.081 20 30 GBEDRM N#Cc1nc(NC(=O)CN2CCN(c3ccccn3)CC2)[n-]c1-c1nn[nH]n1 ZINC000822814553 599314771 /nfs/dbraw/zinc/31/47/71/599314771.db2.gz JDDWRHVYBMUWNK-UHFFFAOYSA-N -1 0 379.388 -0.383 20 30 GBEDRM N#Cc1nc(NC(=O)c2cnn(CC(=O)NC3CCCC3)c2)[n-]c1-c1nn[nH]n1 ZINC000822815247 607423391 /nfs/dbraw/zinc/42/33/91/607423391.db2.gz NNONFBUCOPXSAU-UHFFFAOYSA-N -1 0 395.387 -0.031 20 30 GBEDRM N#Cc1c(-c2nnn[n-]2)nc(N)n1CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000822815388 607157766 /nfs/dbraw/zinc/15/77/66/607157766.db2.gz QJUVTUYVARWNEX-UHFFFAOYSA-N -1 0 395.322 -0.729 20 30 GBEDRM N#Cc1ccc(CN2CCN(C(=O)Cn3cnc(-c4nnn[n-]4)n3)CC2)cc1 ZINC000822825279 607206093 /nfs/dbraw/zinc/20/60/93/607206093.db2.gz AQEYHPOGEXLDDS-UHFFFAOYSA-N -1 0 378.400 -0.326 20 30 GBEDRM N#Cc1ccc(N2CCN(C(=O)Cn3cnc(-c4nnn[n-]4)n3)CC2)c(F)c1 ZINC000822830260 607212823 /nfs/dbraw/zinc/21/28/23/607212823.db2.gz ZPJANPUJBVZHGK-UHFFFAOYSA-N -1 0 382.363 -0.182 20 30 GBEDRM N#Cc1ncn(CC(=O)N2CCN(c3oc(C4CC4)nc3-c3nnn[n-]3)CC2)n1 ZINC000822845806 607207574 /nfs/dbraw/zinc/20/75/74/607207574.db2.gz ICMDUFVJWMKLFB-UHFFFAOYSA-N -1 0 395.387 -0.456 20 30 GBEDRM N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC000822846343 607207783 /nfs/dbraw/zinc/20/77/83/607207783.db2.gz YAILYTRQAAVRNS-UHFFFAOYSA-N -1 0 395.387 -0.456 20 30 GBEDRM O=C([O-])C[C@@]1(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCCOC1 ZINC000823343125 978933586 /nfs/dbraw/zinc/93/35/86/978933586.db2.gz PPNXGUXGHGCABW-INIZCTEOSA-N -1 0 381.410 -0.135 20 30 GBEDRM O=C([O-])C[C@]1(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCCOC1 ZINC000823343126 978933649 /nfs/dbraw/zinc/93/36/49/978933649.db2.gz PPNXGUXGHGCABW-MRXNPFEDSA-N -1 0 381.410 -0.135 20 30 GBEDRM C#CCN1CCN(CN2C(=O)N[C@@]3(CCCC[C@H]3CNC(=O)[O-])C2=O)CC1 ZINC000823455140 603590622 /nfs/dbraw/zinc/59/06/22/603590622.db2.gz AIFYTCBWJGGPMX-KBXCAEBGSA-N -1 0 377.445 -0.057 20 30 GBEDRM C#CCN1CCN(CN2C(=O)N[C@]3(CCCC[C@@H]3CNC(=O)[O-])C2=O)CC1 ZINC000823455143 603590779 /nfs/dbraw/zinc/59/07/79/603590779.db2.gz AIFYTCBWJGGPMX-KDOFPFPSSA-N -1 0 377.445 -0.057 20 30 GBEDRM C#CCN1CCN(CN2C(=O)N[C@]3(CCCC[C@H]3CNC(=O)[O-])C2=O)CC1 ZINC000823455149 603590560 /nfs/dbraw/zinc/59/05/60/603590560.db2.gz AIFYTCBWJGGPMX-KSSFIOAISA-N -1 0 377.445 -0.057 20 30 GBEDRM C#CCN1CCN(CN2C(=O)N[C@@]3(CCCC[C@@H]3CNC(=O)[O-])C2=O)CC1 ZINC000823455152 603590404 /nfs/dbraw/zinc/59/04/04/603590404.db2.gz AIFYTCBWJGGPMX-RDTXWAMCSA-N -1 0 377.445 -0.057 20 30 GBEDRM C#CCNC(=O)CN1CCCN(C(=O)CN2CCC(NC(=O)[O-])CC2)CC1 ZINC000823455489 605701883 /nfs/dbraw/zinc/70/18/83/605701883.db2.gz CYUZBDAIOBKYOD-UHFFFAOYSA-N -1 0 379.461 -0.998 20 30 GBEDRM C#CCNC(=O)CN1CCN(C(=O)C2(NC(=O)[O-])Cc3ccccc3C2)CC1 ZINC000823455787 603747728 /nfs/dbraw/zinc/74/77/28/603747728.db2.gz FQQYFPPGAHGJCW-UHFFFAOYSA-N -1 0 384.436 -0.315 20 30 GBEDRM C#CCNC(=O)CN1CCCN(C(=O)C[C@H]2CSCCN2C(=O)[O-])CC1 ZINC000823457322 605899782 /nfs/dbraw/zinc/89/97/82/605899782.db2.gz YCWGRJOCDRYKSV-AWEZNQCLSA-N -1 0 382.486 -0.244 20 30 GBEDRM C#CCNC(=O)CN1CCCN(C(=O)C[C@@H]2CSCCN2C(=O)[O-])CC1 ZINC000823457323 605899754 /nfs/dbraw/zinc/89/97/54/605899754.db2.gz YCWGRJOCDRYKSV-CQSZACIVSA-N -1 0 382.486 -0.244 20 30 GBEDRM C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c1 ZINC000823462419 603590036 /nfs/dbraw/zinc/59/00/36/603590036.db2.gz AAUHUZJDMLHQNV-CYBMUJFWSA-N -1 0 376.394 -0.074 20 30 GBEDRM C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c1 ZINC000823462420 603590009 /nfs/dbraw/zinc/59/00/09/603590009.db2.gz AAUHUZJDMLHQNV-ZDUSSCGKSA-N -1 0 376.394 -0.074 20 30 GBEDRM C#Cc1ccc(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)cn1 ZINC000823466564 603938794 /nfs/dbraw/zinc/93/87/94/603938794.db2.gz DUMJJDRGYOEABX-UHFFFAOYSA-N -1 0 378.410 -0.487 20 30 GBEDRM C#CCSCCNC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000823467474 604882159 /nfs/dbraw/zinc/88/21/59/604882159.db2.gz XGHOJNKNMVWWBX-UHFFFAOYSA-N -1 0 390.487 -0.628 20 30 GBEDRM C#Cc1ccc(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)nc1 ZINC000823467539 603938742 /nfs/dbraw/zinc/93/87/42/603938742.db2.gz ZKUOMKDGNINRMW-UHFFFAOYSA-N -1 0 378.410 -0.487 20 30 GBEDRM C=C(C)CN(CC)C(=O)CN1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000823474335 603917113 /nfs/dbraw/zinc/91/71/13/603917113.db2.gz NOEMXENIJSUISH-UHFFFAOYSA-N -1 0 388.490 -0.279 20 30 GBEDRM C=C(C)COCCNC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000823480873 604900148 /nfs/dbraw/zinc/90/01/48/604900148.db2.gz QRQAYAQHXANLMT-UHFFFAOYSA-N -1 0 390.462 -0.402 20 30 GBEDRM C=CCCO[C@H](C)C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000823497169 603553197 /nfs/dbraw/zinc/55/31/97/603553197.db2.gz XLFOTDVRYLDYRL-GFCCVEGCSA-N -1 0 375.447 -0.196 20 30 GBEDRM C=CCCO[C@@H](C)C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000823497170 603553210 /nfs/dbraw/zinc/55/32/10/603553210.db2.gz XLFOTDVRYLDYRL-LBPRGKRZSA-N -1 0 375.447 -0.196 20 30 GBEDRM C=CCN(CC=C)C(=O)CN1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000823500493 604098382 /nfs/dbraw/zinc/09/83/82/604098382.db2.gz FWQRIYJAKPVQNF-UHFFFAOYSA-N -1 0 386.474 -0.503 20 30 GBEDRM C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(NC(=O)[O-])nc2)CC1 ZINC000823507330 603741683 /nfs/dbraw/zinc/74/16/83/603741683.db2.gz VKPLYFCGURXRGI-UHFFFAOYSA-N -1 0 390.400 -0.444 20 30 GBEDRM C=CCNC(=O)NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O ZINC000823510487 603676305 /nfs/dbraw/zinc/67/63/05/603676305.db2.gz AASGNWHNODPMQO-HWPZZCPQSA-N -1 0 381.389 -0.253 20 30 GBEDRM C=CCNC(=O)NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2CNC(=O)[O-])C1=O ZINC000823510488 603676254 /nfs/dbraw/zinc/67/62/54/603676254.db2.gz AASGNWHNODPMQO-MGPLVRAMSA-N -1 0 381.389 -0.253 20 30 GBEDRM C=CCNC(=O)NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2CNC(=O)[O-])C1=O ZINC000823510489 603676363 /nfs/dbraw/zinc/67/63/63/603676363.db2.gz AASGNWHNODPMQO-QFYYESIMSA-N -1 0 381.389 -0.253 20 30 GBEDRM C=CCNC(=O)NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2CNC(=O)[O-])C1=O ZINC000823510490 603676262 /nfs/dbraw/zinc/67/62/62/603676262.db2.gz AASGNWHNODPMQO-QLJPJBMISA-N -1 0 381.389 -0.253 20 30 GBEDRM C=CCSCCNC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000823516449 604876252 /nfs/dbraw/zinc/87/62/52/604876252.db2.gz LDMDUZIXEFFLOT-UHFFFAOYSA-N -1 0 392.503 -0.075 20 30 GBEDRM C=CCOCCCC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000823516813 603938952 /nfs/dbraw/zinc/93/89/52/603938952.db2.gz WINZOGDQAYFYDZ-UHFFFAOYSA-N -1 0 375.447 -0.195 20 30 GBEDRM C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H]([C@H](C)NC(=O)[O-])C2)c1=O ZINC000823521736 604020553 /nfs/dbraw/zinc/02/05/53/604020553.db2.gz HUMWVXLGRGRMKI-KBPBESRZSA-N -1 0 393.444 -0.131 20 30 GBEDRM C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)c1=O ZINC000823521742 604020699 /nfs/dbraw/zinc/02/06/99/604020699.db2.gz HUMWVXLGRGRMKI-KGLIPLIRSA-N -1 0 393.444 -0.131 20 30 GBEDRM C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)c1=O ZINC000823521744 604020737 /nfs/dbraw/zinc/02/07/37/604020737.db2.gz HUMWVXLGRGRMKI-UONOGXRCSA-N -1 0 393.444 -0.131 20 30 GBEDRM C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)c1=O ZINC000823521746 604020673 /nfs/dbraw/zinc/02/06/73/604020673.db2.gz HUMWVXLGRGRMKI-ZIAGYGMSSA-N -1 0 393.444 -0.131 20 30 GBEDRM C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1=O ZINC000823521861 603922609 /nfs/dbraw/zinc/92/26/09/603922609.db2.gz LBFVOHUFUKXOBZ-KGLIPLIRSA-N -1 0 391.428 -0.282 20 30 GBEDRM C=CCn1c(=O)n(CC=C)c(=O)n(CN(C2CC2)[C@H]2CCN(C(=O)[O-])C2)c1=O ZINC000823522041 605454386 /nfs/dbraw/zinc/45/43/86/605454386.db2.gz QBXCCZWRLUZYJG-AWEZNQCLSA-N -1 0 391.428 -0.282 20 30 GBEDRM C=CCn1c(=O)n(CC=C)c(=O)n(CN(C2CC2)[C@@H]2CCN(C(=O)[O-])C2)c1=O ZINC000823522042 605454398 /nfs/dbraw/zinc/45/43/98/605454398.db2.gz QBXCCZWRLUZYJG-CQSZACIVSA-N -1 0 391.428 -0.282 20 30 GBEDRM C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H]2CN(C)C(=O)[O-])c1=O ZINC000823522285 603612673 /nfs/dbraw/zinc/61/26/73/603612673.db2.gz YYNNHGSRTYKYGC-CYBMUJFWSA-N -1 0 379.417 -0.425 20 30 GBEDRM C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H]2CN(C)C(=O)[O-])c1=O ZINC000823522286 603612603 /nfs/dbraw/zinc/61/26/03/603612603.db2.gz YYNNHGSRTYKYGC-ZDUSSCGKSA-N -1 0 379.417 -0.425 20 30 GBEDRM C[C@H](C(=O)N(C)CCC#N)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000823655468 603917282 /nfs/dbraw/zinc/91/72/82/603917282.db2.gz UDUADZGPFWYUQA-GFCCVEGCSA-N -1 0 387.462 -0.943 20 30 GBEDRM C[C@@H](C(=O)N(C)CCC#N)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000823655469 603917070 /nfs/dbraw/zinc/91/70/70/603917070.db2.gz UDUADZGPFWYUQA-LBPRGKRZSA-N -1 0 387.462 -0.943 20 30 GBEDRM CC(C)(C(=O)NCCNC(=O)C1N=CC=CC1=O)N1CCN(C(=O)[O-])CC1 ZINC000823743657 603573956 /nfs/dbraw/zinc/57/39/56/603573956.db2.gz NNYLWFGRGKLGCN-BUHFOSPRSA-N -1 0 379.417 -0.297 20 30 GBEDRM CC(C)(C(=O)NCCNC(=O)C1N=CC=CC1=O)N1CCN(C(=O)[O-])CC1 ZINC000823743658 603574091 /nfs/dbraw/zinc/57/40/91/603574091.db2.gz NNYLWFGRGKLGCN-YPKPFQOOSA-N -1 0 379.417 -0.297 20 30 GBEDRM C[C@H](CC(=O)N1CCOC[C@H]1C(=O)[O-])/N=C1/NS(=O)(=O)c2ccccc21 ZINC000823847933 601721181 /nfs/dbraw/zinc/72/11/81/601721181.db2.gz NYVNQKJKQKKJDK-PWSUYJOCSA-N -1 0 381.410 -0.184 20 30 GBEDRM C[C@H](CC(=O)N1CCOC[C@@H]1C(=O)[O-])/N=C1/NS(=O)(=O)c2ccccc21 ZINC000823847935 601721108 /nfs/dbraw/zinc/72/11/08/601721108.db2.gz NYVNQKJKQKKJDK-ZYHUDNBSSA-N -1 0 381.410 -0.184 20 30 GBEDRM C#CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC1 ZINC000823849895 608442782 /nfs/dbraw/zinc/44/27/82/608442782.db2.gz BRMZFSTVUFFDAE-UHFFFAOYSA-N -1 0 377.386 -0.286 20 30 GBEDRM CC(C)[C@@H](C#N)N1CCN(C(=O)Cn2c(N)nc(-c3nnn[n-]3)c2C#N)CC1 ZINC000824184492 609513438 /nfs/dbraw/zinc/51/34/38/609513438.db2.gz GZPPJDDMHDFZCM-LLVKDONJSA-N -1 0 383.420 -0.791 20 30 GBEDRM CC(C)[C@H](C#N)N1CCN(C(=O)Cn2c(N)nc(-c3nnn[n-]3)c2C#N)CC1 ZINC000824184497 609513745 /nfs/dbraw/zinc/51/37/45/609513745.db2.gz GZPPJDDMHDFZCM-NSHDSACASA-N -1 0 383.420 -0.791 20 30 GBEDRM CC(C)Cn1c(N)c(C(=O)Cn2cnc(-c3nnn[n-]3)c2C#N)c(=O)[nH]c1=O ZINC000824280218 946641022 /nfs/dbraw/zinc/64/10/22/946641022.db2.gz HAJJODNRZCAMDS-UHFFFAOYSA-N -1 0 384.360 -0.682 20 30 GBEDRM CC1CCC2(CC1)NC(=O)N(NC(=O)Cn1cnc(-c3nnn[n-]3)c1C#N)C2=O ZINC000824919350 946994036 /nfs/dbraw/zinc/99/40/36/946994036.db2.gz UHQKVQZIOIUBRM-UHFFFAOYSA-N -1 0 398.387 -0.533 20 30 GBEDRM CCCCN(C(=O)Cn1cnc(-c2nnn[n-]2)c1C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000825281697 947141580 /nfs/dbraw/zinc/14/15/80/947141580.db2.gz JDSYMVBGFVRCHJ-LLVKDONJSA-N -1 0 392.445 -0.249 20 30 GBEDRM CCCCN(C(=O)Cn1cnc(-c2nnn[n-]2)c1C#N)[C@H]1CCS(=O)(=O)C1 ZINC000825281701 947141969 /nfs/dbraw/zinc/14/19/69/947141969.db2.gz JDSYMVBGFVRCHJ-NSHDSACASA-N -1 0 392.445 -0.249 20 30 GBEDRM CCCCn1c2nc(Cn3cnc(-c4nnn[n-]4)c3C#N)n(C)c2c(=O)[nH]c1=O ZINC000825296274 947146990 /nfs/dbraw/zinc/14/69/90/947146990.db2.gz BHXWKPMZCNEHQV-UHFFFAOYSA-N -1 0 395.387 -0.068 20 30 GBEDRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CCO1 ZINC000825318829 604806934 /nfs/dbraw/zinc/80/69/34/604806934.db2.gz PUPXLTPTLUCWDZ-JYOSQDBOSA-N -1 0 381.389 -0.421 20 30 GBEDRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CCO1 ZINC000825318834 604807057 /nfs/dbraw/zinc/80/70/57/604807057.db2.gz PUPXLTPTLUCWDZ-PWIUWRDOSA-N -1 0 381.389 -0.421 20 30 GBEDRM C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CCO1 ZINC000825318836 604806926 /nfs/dbraw/zinc/80/69/26/604806926.db2.gz PUPXLTPTLUCWDZ-RNNWNBAISA-N -1 0 381.389 -0.421 20 30 GBEDRM C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)NCCNC(=O)C2N=CC=CC2=O)CCO1 ZINC000825318837 604807002 /nfs/dbraw/zinc/80/70/02/604807002.db2.gz PUPXLTPTLUCWDZ-YAYJOGLHSA-N -1 0 381.389 -0.421 20 30 GBEDRM C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N ZINC000825502248 604274693 /nfs/dbraw/zinc/27/46/93/604274693.db2.gz HQMJSUHJSYOENT-AAEUAGOBSA-N -1 0 391.409 -0.061 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N ZINC000825502249 604274688 /nfs/dbraw/zinc/27/46/88/604274688.db2.gz HQMJSUHJSYOENT-DGCLKSJQSA-N -1 0 391.409 -0.061 20 30 GBEDRM C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N ZINC000825502250 604274822 /nfs/dbraw/zinc/27/48/22/604274822.db2.gz HQMJSUHJSYOENT-WCQYABFASA-N -1 0 391.409 -0.061 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N ZINC000825502253 604274629 /nfs/dbraw/zinc/27/46/29/604274629.db2.gz HQMJSUHJSYOENT-YPMHNXCESA-N -1 0 391.409 -0.061 20 30 GBEDRM C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N ZINC000825503474 604274635 /nfs/dbraw/zinc/27/46/35/604274635.db2.gz UTLMHACYYHAVPO-AAEUAGOBSA-N -1 0 391.409 -0.061 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N ZINC000825503475 604274711 /nfs/dbraw/zinc/27/47/11/604274711.db2.gz UTLMHACYYHAVPO-DGCLKSJQSA-N -1 0 391.409 -0.061 20 30 GBEDRM C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)[O-])C[C@H]1C#N ZINC000825503476 604274747 /nfs/dbraw/zinc/27/47/47/604274747.db2.gz UTLMHACYYHAVPO-WCQYABFASA-N -1 0 391.409 -0.061 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N ZINC000825503477 604274618 /nfs/dbraw/zinc/27/46/18/604274618.db2.gz UTLMHACYYHAVPO-YPMHNXCESA-N -1 0 391.409 -0.061 20 30 GBEDRM CCOC(=O)c1cnn2c1nccc2C(=O)Nc1nc(C#N)c(-c2nn[nH]n2)[n-]1 ZINC000825571342 608116759 /nfs/dbraw/zinc/11/67/59/608116759.db2.gz YWEFRSFEJVJXFI-UHFFFAOYSA-N -1 0 393.327 -0.067 20 30 GBEDRM C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)CC1 ZINC000825618462 601237232 /nfs/dbraw/zinc/23/72/32/601237232.db2.gz CFYAFZIXCXBZIU-UHFFFAOYSA-N -1 0 395.437 -0.551 20 30 GBEDRM C#CCNC(=O)CN1CCN(S(=O)(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC000825618518 600738239 /nfs/dbraw/zinc/73/82/39/600738239.db2.gz CQXGIYLRKSZOSV-UHFFFAOYSA-N -1 0 379.438 -0.418 20 30 GBEDRM C#CCNC(=O)CN1CCCN(S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CC1 ZINC000825618718 601247209 /nfs/dbraw/zinc/24/72/09/601247209.db2.gz DYKNRNDOIDOMFY-UHFFFAOYSA-N -1 0 393.465 -0.028 20 30 GBEDRM C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(F)c2C(=O)[O-])CC1 ZINC000825618881 601981080 /nfs/dbraw/zinc/98/10/80/601981080.db2.gz GRFGDPAIKISUBE-UHFFFAOYSA-N -1 0 383.401 -0.420 20 30 GBEDRM C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)CC1 ZINC000825618913 601237001 /nfs/dbraw/zinc/23/70/01/601237001.db2.gz HNQYUWNCMZJEJF-VMPITWQZSA-N -1 0 391.449 -0.160 20 30 GBEDRM C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)CC1 ZINC000825618918 601237219 /nfs/dbraw/zinc/23/72/19/601237219.db2.gz HNQYUWNCMZJEJF-YVMONPNESA-N -1 0 391.449 -0.160 20 30 GBEDRM C#CCNC(=O)CN1CCCN(S(=O)(=O)c2csc(C(=O)[O-])c2)CC1 ZINC000825618938 601247128 /nfs/dbraw/zinc/24/71/28/601247128.db2.gz ICWAZZJSHJZERR-UHFFFAOYSA-N -1 0 385.467 -0.108 20 30 GBEDRM C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)CC1 ZINC000825619053 601222028 /nfs/dbraw/zinc/22/20/28/601222028.db2.gz JSTSKZMZAYTRQC-UHFFFAOYSA-N -1 0 383.426 -0.268 20 30 GBEDRM C#CCNC(=O)CN1CCCN(S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000825619338 601247327 /nfs/dbraw/zinc/24/73/27/601247327.db2.gz KXHKZCVHLRHULS-UHFFFAOYSA-N -1 0 393.465 -0.028 20 30 GBEDRM C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC1 ZINC000825619359 601247112 /nfs/dbraw/zinc/24/71/12/601247112.db2.gz LBYCIRAJVCOZBS-UHFFFAOYSA-N -1 0 393.465 -0.241 20 30 GBEDRM C#CCN1CCN(C(=O)CN(c2ccc(C(=O)[O-])cc2)S(C)(=O)=O)CC1 ZINC000825619423 601389049 /nfs/dbraw/zinc/38/90/49/601389049.db2.gz MJQFZQYQVVIELM-UHFFFAOYSA-N -1 0 379.438 -0.072 20 30 GBEDRM C#CCN1CCN(C(=O)CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)CC1 ZINC000825619435 601868009 /nfs/dbraw/zinc/86/80/09/601868009.db2.gz MLDHUBXWKXEAOB-UHFFFAOYSA-N -1 0 384.392 -0.069 20 30 GBEDRM C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1 ZINC000825619901 601247301 /nfs/dbraw/zinc/24/73/01/601247301.db2.gz RJHNUFYYANJUBM-UHFFFAOYSA-N -1 0 385.467 -0.108 20 30 GBEDRM C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)CC1 ZINC000825620061 600779173 /nfs/dbraw/zinc/77/91/73/600779173.db2.gz TYVQVGHNAIZDQU-UHFFFAOYSA-N -1 0 379.438 -0.251 20 30 GBEDRM C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)CC1 ZINC000825620076 600738292 /nfs/dbraw/zinc/73/82/92/600738292.db2.gz UTFAVOAXTPRECT-UHFFFAOYSA-N -1 0 379.438 -0.251 20 30 GBEDRM C#CCNC(=O)CN1CCN([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC000825620128 600795062 /nfs/dbraw/zinc/79/50/62/600795062.db2.gz WVKJOQNPUWRFCY-AWEZNQCLSA-N -1 0 390.465 -0.081 20 30 GBEDRM C#CCNC(=O)CN1CCN([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC000825620129 600795070 /nfs/dbraw/zinc/79/50/70/600795070.db2.gz WVKJOQNPUWRFCY-CQSZACIVSA-N -1 0 390.465 -0.081 20 30 GBEDRM C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)CC1 ZINC000825620142 601247275 /nfs/dbraw/zinc/24/72/75/601247275.db2.gz XFSQLJXEDPJSIN-UHFFFAOYSA-N -1 0 382.442 -0.831 20 30 GBEDRM C#CCNS(=O)(=O)c1ccc(C(=O)OCCc2cn(CC(=O)[O-])nn2)cc1 ZINC000825625483 604702036 /nfs/dbraw/zinc/70/20/36/604702036.db2.gz FCXZZCCXMIOLFW-UHFFFAOYSA-N -1 0 392.393 -0.326 20 30 GBEDRM C#CCNS(=O)(=O)c1cccc(C(=O)OCCc2cn(CC(=O)[O-])nn2)c1 ZINC000825625710 604694000 /nfs/dbraw/zinc/69/40/00/604694000.db2.gz LYCDSZPQRPZSHQ-UHFFFAOYSA-N -1 0 392.393 -0.326 20 30 GBEDRM C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000825636555 600728631 /nfs/dbraw/zinc/72/86/31/600728631.db2.gz MTKOKQWLIAYXBP-UHFFFAOYSA-N -1 0 376.394 -0.110 20 30 GBEDRM C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000825687147 601862324 /nfs/dbraw/zinc/86/23/24/601862324.db2.gz CNALEEYAGODGLY-UHFFFAOYSA-N -1 0 392.387 -0.091 20 30 GBEDRM C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(CC(=O)[O-])cc2)CC1 ZINC000825687439 601342859 /nfs/dbraw/zinc/34/28/59/601342859.db2.gz JWUPWZSUBSXMFU-UHFFFAOYSA-N -1 0 388.424 -0.301 20 30 GBEDRM C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])ccc2F)CC1 ZINC000825687468 601342749 /nfs/dbraw/zinc/34/27/49/601342749.db2.gz LJKATWZLPHRKRC-UHFFFAOYSA-N -1 0 392.387 -0.091 20 30 GBEDRM C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000825687494 601342871 /nfs/dbraw/zinc/34/28/71/601342871.db2.gz MPXXFHSEKBRRMC-UHFFFAOYSA-N -1 0 392.387 -0.091 20 30 GBEDRM C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])cs2)CC1 ZINC000825687750 604547792 /nfs/dbraw/zinc/54/77/92/604547792.db2.gz UWEBRJSEKQGGQZ-UHFFFAOYSA-N -1 0 380.426 -0.169 20 30 GBEDRM C=CCNC(=O)C(C#N)=c1sc(=Cc2c[nH]c(C(=O)[O-])c2)c(=O)n1CC=C ZINC000825687765 601828918 /nfs/dbraw/zinc/82/89/18/601828918.db2.gz VNYOCYCFNVMHPX-UHFFFAOYSA-N -1 0 384.417 -0.073 20 30 GBEDRM C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2sccc2C(=O)[O-])CC1 ZINC000825687843 601342830 /nfs/dbraw/zinc/34/28/30/601342830.db2.gz ZCMUFYCMGAPOHF-UHFFFAOYSA-N -1 0 380.426 -0.169 20 30 GBEDRM C=CCn1c(=O)c(=Cc2c[nH]c(C(=O)[O-])c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000825705805 601829204 /nfs/dbraw/zinc/82/92/04/601829204.db2.gz SOAYQAONQKBMDV-UHFFFAOYSA-N -1 0 384.417 -0.096 20 30 GBEDRM CCn1cc(-c2nnn[n-]2)c(=O)n(Cc2cccc(C(=O)OC)c2C#N)c1=O ZINC000825799087 607893296 /nfs/dbraw/zinc/89/32/96/607893296.db2.gz CUMOVHITWLPCJE-UHFFFAOYSA-N -1 0 381.352 -0.083 20 30 GBEDRM CN(C)S(=O)(=O)c1cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)n(C)c1 ZINC000825875189 947352151 /nfs/dbraw/zinc/35/21/51/947352151.db2.gz CYQFTBZTWJLMLP-UHFFFAOYSA-N -1 0 390.389 -0.697 20 30 GBEDRM CN(C)S(=O)(=O)c1cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)co1 ZINC000825875772 607928274 /nfs/dbraw/zinc/92/82/74/607928274.db2.gz XUNGNUPCZKDAKO-UHFFFAOYSA-N -1 0 377.346 -0.443 20 30 GBEDRM CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N(CC#N)CC(=O)[O-])s1 ZINC000825879230 638010501 /nfs/dbraw/zinc/01/05/01/638010501.db2.gz MSZQNAQHQMPPGL-UHFFFAOYSA-N -1 0 388.427 -0.901 20 30 GBEDRM CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCN(C(=O)[O-])C[C@@H]1C#N)C2=O ZINC000825880132 603728242 /nfs/dbraw/zinc/72/82/42/603728242.db2.gz IGPYCQMPXXRMOT-JKGQDXBKSA-N -1 0 392.416 -0.294 20 30 GBEDRM CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCN(C(=O)[O-])C[C@H]1C#N)C2=O ZINC000825880133 603728378 /nfs/dbraw/zinc/72/83/78/603728378.db2.gz IGPYCQMPXXRMOT-VMBJYNEYSA-N -1 0 392.416 -0.294 20 30 GBEDRM C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000826086880 603736732 /nfs/dbraw/zinc/73/67/32/603736732.db2.gz DGICDLKUWSERBH-GFCCVEGCSA-N -1 0 387.400 -0.792 20 30 GBEDRM C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000826086881 603736927 /nfs/dbraw/zinc/73/69/27/603736927.db2.gz DGICDLKUWSERBH-LBPRGKRZSA-N -1 0 387.400 -0.792 20 30 GBEDRM COC(=O)CN(CC#N)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826138352 607619763 /nfs/dbraw/zinc/61/97/63/607619763.db2.gz QVQJXEXGMYXCRT-UHFFFAOYSA-N -1 0 381.330 -0.538 20 30 GBEDRM COc1ccccc1N(CCC(N)=O)C(=O)Cn1cnc(-c2nnn[n-]2)c1C#N ZINC000826220199 947652884 /nfs/dbraw/zinc/65/28/84/947652884.db2.gz FWEJNJWJGNSBAB-UHFFFAOYSA-N -1 0 395.383 -0.148 20 30 GBEDRM Cc1cc(-c2nn[nH]n2)ccc1C([O-])=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000826243337 607401058 /nfs/dbraw/zinc/40/10/58/607401058.db2.gz DRLWTOLJAODHCH-CYBMUJFWSA-N -1 0 388.409 -0.245 20 30 GBEDRM Cc1cc(-c2nn[nH]n2)ccc1C([O-])=C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000826243338 607401363 /nfs/dbraw/zinc/40/13/63/607401363.db2.gz DRLWTOLJAODHCH-ZDUSSCGKSA-N -1 0 388.409 -0.245 20 30 GBEDRM Cc1cc(S(N)(=O)=O)cc(C(=O)Nc2nc(C#N)c(-c3nn[nH]n3)[n-]2)c1C ZINC000826272489 607780299 /nfs/dbraw/zinc/78/02/99/607780299.db2.gz LZRXSRVVNIUGSR-UHFFFAOYSA-N -1 0 387.385 -0.022 20 30 GBEDRM Cc1nn(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c(=O)c(-c2nnn[n-]2)c1C ZINC000826334148 609513007 /nfs/dbraw/zinc/51/30/07/609513007.db2.gz JUUJKZMCQTWPFL-AWEZNQCLSA-N -1 0 399.459 -0.267 20 30 GBEDRM Cc1nn(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)c(=O)c(-c2nnn[n-]2)c1C ZINC000826334149 609512648 /nfs/dbraw/zinc/51/26/48/609512648.db2.gz JUUJKZMCQTWPFL-CQSZACIVSA-N -1 0 399.459 -0.267 20 30 GBEDRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCO[C@@H](c3cccc(C#N)c3)C2)n(C)c1=O ZINC000826355962 608052605 /nfs/dbraw/zinc/05/26/05/608052605.db2.gz UZGSQTUKESHRPT-CYBMUJFWSA-N -1 0 394.395 -0.286 20 30 GBEDRM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCO[C@H](c3cccc(C#N)c3)C2)n(C)c1=O ZINC000826355963 608052413 /nfs/dbraw/zinc/05/24/13/608052413.db2.gz UZGSQTUKESHRPT-ZDUSSCGKSA-N -1 0 394.395 -0.286 20 30 GBEDRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2nnc(-c3cccc(C#N)c3)o2)c1=O ZINC000826356882 608095944 /nfs/dbraw/zinc/09/59/44/608095944.db2.gz JPEMORJNDWPMAM-UHFFFAOYSA-N -1 0 377.324 -0.303 20 30 GBEDRM Cn1cc(-c2nnn[n-]2)c(=O)n(CCS(=O)(=O)c2cccc(C#N)c2)c1=O ZINC000826357079 607814806 /nfs/dbraw/zinc/81/48/06/607814806.db2.gz QGXSFNBGWISIMY-UHFFFAOYSA-N -1 0 387.381 -0.927 20 30 GBEDRM Cn1cc(-c2nnn[n-]2)c(=O)n(Cc2nnc(-c3ccc(C#N)cc3)o2)c1=O ZINC000826357283 608096740 /nfs/dbraw/zinc/09/67/40/608096740.db2.gz YVBNGOLUYXHUFA-UHFFFAOYSA-N -1 0 377.324 -0.303 20 30 GBEDRM N#C[C@H](c1cccs1)N1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC000826379758 609513891 /nfs/dbraw/zinc/51/38/91/609513891.db2.gz AKVPYHSPQKCEJC-LLVKDONJSA-N -1 0 384.429 -0.071 20 30 GBEDRM N#C[C@@H](c1cccs1)N1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC000826379759 609513585 /nfs/dbraw/zinc/51/35/85/609513585.db2.gz AKVPYHSPQKCEJC-NSHDSACASA-N -1 0 384.429 -0.071 20 30 GBEDRM N#CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nnn[n-]2)CC1 ZINC000826381819 607603343 /nfs/dbraw/zinc/60/33/43/607603343.db2.gz AGEZECSIUOVXFV-UHFFFAOYSA-N -1 0 378.374 -0.395 20 30 GBEDRM N#Cc1c(-c2nnn[n-]2)nc(N)n1CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000826382371 609176984 /nfs/dbraw/zinc/17/69/84/609176984.db2.gz BCOIRLMNIZSQDM-UHFFFAOYSA-N -1 0 382.388 -0.546 20 30 GBEDRM N#Cc1c(-c2nnn[n-]2)nc(N)n1CC(=O)NCCCN1CCCCCC1=O ZINC000826382386 609174632 /nfs/dbraw/zinc/17/46/32/609174632.db2.gz BSRWWBNSDNNPPX-UHFFFAOYSA-N -1 0 386.420 -0.574 20 30 GBEDRM N#Cc1c(-c2nnn[n-]2)nc(N)n1CC(=O)NCCN1CCc2ccccc21 ZINC000826382646 609174910 /nfs/dbraw/zinc/17/49/10/609174910.db2.gz ONFISXWOEZESJR-UHFFFAOYSA-N -1 0 378.400 -0.304 20 30 GBEDRM N#Cc1c(-c2nnn[n-]2)nc(N)n1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000826382822 609488686 /nfs/dbraw/zinc/48/86/86/609488686.db2.gz WTENIUTZFLZOJJ-UHFFFAOYSA-N -1 0 389.357 -0.101 20 30 GBEDRM N#Cc1c(-c2nnn[n-]2)nc(N)n1CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000826382881 609174767 /nfs/dbraw/zinc/17/47/67/609174767.db2.gz YXCSKVCDJGVHFY-UHFFFAOYSA-N -1 0 398.456 -0.077 20 30 GBEDRM N#Cc1c(-c2nnn[n-]2)ncn1Cn1nnc2c(cnn2-c2ccccc2)c1=O ZINC000826383194 948183038 /nfs/dbraw/zinc/18/30/38/948183038.db2.gz OLZXCBZDVGBTOZ-UHFFFAOYSA-N -1 0 386.339 -0.269 20 30 GBEDRM N#Cc1c(-c2nnn[n-]2)ncn1CC(=O)N(CCC(N)=O)Cc1ccccc1 ZINC000826383392 948182680 /nfs/dbraw/zinc/18/26/80/948182680.db2.gz YNSJMKFJZPLCAV-UHFFFAOYSA-N -1 0 379.384 -0.161 20 30 GBEDRM N#Cc1ccc(N2CCC[C@@H](NC(=O)Cn3cnc(-c4nnn[n-]4)n3)C2=O)cc1 ZINC000826385690 609265455 /nfs/dbraw/zinc/26/54/55/609265455.db2.gz XCIBAXHEXOBKAY-CYBMUJFWSA-N -1 0 392.383 -0.358 20 30 GBEDRM N#Cc1ccc(N2CCC[C@H](NC(=O)Cn3cnc(-c4nnn[n-]4)n3)C2=O)cc1 ZINC000826385691 609265781 /nfs/dbraw/zinc/26/57/81/609265781.db2.gz XCIBAXHEXOBKAY-ZDUSSCGKSA-N -1 0 392.383 -0.358 20 30 GBEDRM O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](C(=O)[O-])C1CCOCC1 ZINC000826560431 939219143 /nfs/dbraw/zinc/21/91/43/939219143.db2.gz QCTLATKNYQGZBT-AWEZNQCLSA-N -1 0 381.410 -0.279 20 30 GBEDRM O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC000826560432 939219154 /nfs/dbraw/zinc/21/91/54/939219154.db2.gz QCTLATKNYQGZBT-CQSZACIVSA-N -1 0 381.410 -0.279 20 30 GBEDRM CCN(CCC#N)C(=O)CN1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000827112029 604099080 /nfs/dbraw/zinc/09/90/80/604099080.db2.gz VHJOJQZRGIZVGT-UHFFFAOYSA-N -1 0 387.462 -0.942 20 30 GBEDRM C[C@H](CC(=O)N[C@@]1(C(=O)[O-])CCOC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000827226411 601766603 /nfs/dbraw/zinc/76/66/03/601766603.db2.gz MQALRLBJKJGBQV-HWPZZCPQSA-N -1 0 381.410 -0.136 20 30 GBEDRM C[C@H](CC(=O)N[C@]1(C(=O)[O-])CCOC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000827226412 601766650 /nfs/dbraw/zinc/76/66/50/601766650.db2.gz MQALRLBJKJGBQV-QLJPJBMISA-N -1 0 381.410 -0.136 20 30 GBEDRM CCOC(=O)N1CCN(S(=O)(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)CC1 ZINC000827327578 603917429 /nfs/dbraw/zinc/91/74/29/603917429.db2.gz LBYZSXRGOMGIRP-LLVKDONJSA-N -1 0 375.407 -0.807 20 30 GBEDRM CCOC(=O)N1CCN(S(=O)(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)CC1 ZINC000827327581 603917435 /nfs/dbraw/zinc/91/74/35/603917435.db2.gz LBYZSXRGOMGIRP-NSHDSACASA-N -1 0 375.407 -0.807 20 30 GBEDRM C[C@@H](CC(=O)OCC(=O)NCCC(=O)[O-])/N=C1/NS(=O)(=O)c2ccccc21 ZINC000827391644 600714217 /nfs/dbraw/zinc/71/42/17/600714217.db2.gz HITTWNNNCZJYSG-JTQLQIEISA-N -1 0 397.409 -0.362 20 30 GBEDRM C[C@H](CC(=O)OCC(=O)NCCC(=O)[O-])/N=C1/NS(=O)(=O)c2ccccc21 ZINC000827391645 600714140 /nfs/dbraw/zinc/71/41/40/600714140.db2.gz HITTWNNNCZJYSG-SNVBAGLBSA-N -1 0 397.409 -0.362 20 30 GBEDRM C[C@H](CC(=O)O[C@H](C)C(=O)NCC(=O)[O-])/N=C1/NS(=O)(=O)c2ccccc21 ZINC000827391826 600714396 /nfs/dbraw/zinc/71/43/96/600714396.db2.gz LOVHQDXDGILTPT-NXEZZACHSA-N -1 0 397.409 -0.364 20 30 GBEDRM C[C@H](CC(=O)O[C@@H](C)C(=O)NCC(=O)[O-])/N=C1/NS(=O)(=O)c2ccccc21 ZINC000827391827 600714278 /nfs/dbraw/zinc/71/42/78/600714278.db2.gz LOVHQDXDGILTPT-ZJUUUORDSA-N -1 0 397.409 -0.364 20 30 GBEDRM CCn1c(=O)c2ccccc2n(CC(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c1=O ZINC000827682277 604067319 /nfs/dbraw/zinc/06/73/19/604067319.db2.gz YVZZVWOVHGHTHW-GFCCVEGCSA-N -1 0 385.380 -0.103 20 30 GBEDRM CCn1c(=O)c2ccccc2n(CC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c1=O ZINC000827682280 604067452 /nfs/dbraw/zinc/06/74/52/604067452.db2.gz YVZZVWOVHGHTHW-LBPRGKRZSA-N -1 0 385.380 -0.103 20 30 GBEDRM C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NCCC(=O)[O-] ZINC000827753438 604613972 /nfs/dbraw/zinc/61/39/72/604613972.db2.gz DHNHZFRLAMOLKD-JTQLQIEISA-N -1 0 383.382 -0.641 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)NCCC(=O)[O-] ZINC000827753443 604613763 /nfs/dbraw/zinc/61/37/63/604613763.db2.gz DHNHZFRLAMOLKD-SNVBAGLBSA-N -1 0 383.382 -0.641 20 30 GBEDRM C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000827754958 604303114 /nfs/dbraw/zinc/30/31/14/604303114.db2.gz ODCBDLVPUXPKJP-AAEUAGOBSA-N -1 0 381.410 -0.073 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000827754961 604303223 /nfs/dbraw/zinc/30/32/23/604303223.db2.gz ODCBDLVPUXPKJP-DGCLKSJQSA-N -1 0 381.410 -0.073 20 30 GBEDRM C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000827754963 604303308 /nfs/dbraw/zinc/30/33/08/604303308.db2.gz ODCBDLVPUXPKJP-WCQYABFASA-N -1 0 381.410 -0.073 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000827754965 604303279 /nfs/dbraw/zinc/30/32/79/604303279.db2.gz ODCBDLVPUXPKJP-YPMHNXCESA-N -1 0 381.410 -0.073 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000827755456 604280723 /nfs/dbraw/zinc/28/07/23/604280723.db2.gz QOHAZKSYDMVOIR-MRVPVSSYSA-N -1 0 378.370 -0.391 20 30 GBEDRM C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000827755463 604280931 /nfs/dbraw/zinc/28/09/31/604280931.db2.gz QOHAZKSYDMVOIR-QMMMGPOBSA-N -1 0 378.370 -0.391 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC000827756214 604613991 /nfs/dbraw/zinc/61/39/91/604613991.db2.gz YVLBCJBBLWZLEB-NXEZZACHSA-N -1 0 383.382 -0.642 20 30 GBEDRM C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC000827756215 604613880 /nfs/dbraw/zinc/61/38/80/604613880.db2.gz YVLBCJBBLWZLEB-UWVGGRQHSA-N -1 0 383.382 -0.642 20 30 GBEDRM C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)[O-] ZINC000827756216 604613737 /nfs/dbraw/zinc/61/37/37/604613737.db2.gz YVLBCJBBLWZLEB-VHSXEESVSA-N -1 0 383.382 -0.642 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC000827756217 604613930 /nfs/dbraw/zinc/61/39/30/604613930.db2.gz YVLBCJBBLWZLEB-ZJUUUORDSA-N -1 0 383.382 -0.642 20 30 GBEDRM C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000827756370 602185547 /nfs/dbraw/zinc/18/55/47/602185547.db2.gz ZMRCGHUCQRAWBL-GWCFXTLKSA-N -1 0 394.409 -0.973 20 30 GBEDRM C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000827756372 602185628 /nfs/dbraw/zinc/18/56/28/602185628.db2.gz ZMRCGHUCQRAWBL-GXFFZTMASA-N -1 0 394.409 -0.973 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000827756374 602185591 /nfs/dbraw/zinc/18/55/91/602185591.db2.gz ZMRCGHUCQRAWBL-MFKMUULPSA-N -1 0 394.409 -0.973 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000827756376 602185595 /nfs/dbraw/zinc/18/55/95/602185595.db2.gz ZMRCGHUCQRAWBL-ZWNOBZJWSA-N -1 0 394.409 -0.973 20 30 GBEDRM C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000827759919 604303191 /nfs/dbraw/zinc/30/31/91/604303191.db2.gz CSDPZYZYYPRUQG-AAEUAGOBSA-N -1 0 381.410 -0.073 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000827759920 604303259 /nfs/dbraw/zinc/30/32/59/604303259.db2.gz CSDPZYZYYPRUQG-DGCLKSJQSA-N -1 0 381.410 -0.073 20 30 GBEDRM C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000827759921 604303077 /nfs/dbraw/zinc/30/30/77/604303077.db2.gz CSDPZYZYYPRUQG-WCQYABFASA-N -1 0 381.410 -0.073 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000827759922 604302932 /nfs/dbraw/zinc/30/29/32/604302932.db2.gz CSDPZYZYYPRUQG-YPMHNXCESA-N -1 0 381.410 -0.073 20 30 GBEDRM C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000827760304 602185748 /nfs/dbraw/zinc/18/57/48/602185748.db2.gz IYKGFKBKPCTYEB-GWCFXTLKSA-N -1 0 394.409 -0.973 20 30 GBEDRM C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000827760305 602185675 /nfs/dbraw/zinc/18/56/75/602185675.db2.gz IYKGFKBKPCTYEB-GXFFZTMASA-N -1 0 394.409 -0.973 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000827760306 602185543 /nfs/dbraw/zinc/18/55/43/602185543.db2.gz IYKGFKBKPCTYEB-MFKMUULPSA-N -1 0 394.409 -0.973 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000827760382 602185549 /nfs/dbraw/zinc/18/55/49/602185549.db2.gz IYKGFKBKPCTYEB-ZWNOBZJWSA-N -1 0 394.409 -0.973 20 30 GBEDRM C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NCCC(=O)[O-] ZINC000827760493 604618963 /nfs/dbraw/zinc/61/89/63/604618963.db2.gz KYOIDBARFCFSON-JTQLQIEISA-N -1 0 383.382 -0.641 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)NCCC(=O)[O-] ZINC000827760494 604618965 /nfs/dbraw/zinc/61/89/65/604618965.db2.gz KYOIDBARFCFSON-SNVBAGLBSA-N -1 0 383.382 -0.641 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000827760713 604281126 /nfs/dbraw/zinc/28/11/26/604281126.db2.gz PORYFMIOLIEJCH-MRVPVSSYSA-N -1 0 378.370 -0.391 20 30 GBEDRM C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1n[nH]c(CC(=O)[O-])n1 ZINC000827760714 604281058 /nfs/dbraw/zinc/28/10/58/604281058.db2.gz PORYFMIOLIEJCH-QMMMGPOBSA-N -1 0 378.370 -0.391 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H](C)C(=O)NCC(=O)[O-] ZINC000827761102 604618869 /nfs/dbraw/zinc/61/88/69/604618869.db2.gz UKQFCLBNWVQZCP-NXEZZACHSA-N -1 0 383.382 -0.642 20 30 GBEDRM C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC000827761103 604619014 /nfs/dbraw/zinc/61/90/14/604619014.db2.gz UKQFCLBNWVQZCP-UWVGGRQHSA-N -1 0 383.382 -0.642 20 30 GBEDRM C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)[O-] ZINC000827761104 604618848 /nfs/dbraw/zinc/61/88/48/604618848.db2.gz UKQFCLBNWVQZCP-VHSXEESVSA-N -1 0 383.382 -0.642 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC000827761105 604619005 /nfs/dbraw/zinc/61/90/05/604619005.db2.gz UKQFCLBNWVQZCP-ZJUUUORDSA-N -1 0 383.382 -0.642 20 30 GBEDRM C[C@H](Oc1ccc(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)cc1)C(=O)[O-] ZINC000827890611 602202340 /nfs/dbraw/zinc/20/23/40/602202340.db2.gz VSPIELFGDQNYIF-JTQLQIEISA-N -1 0 398.400 -0.726 20 30 GBEDRM C[C@@H](Oc1ccc(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)cc1)C(=O)[O-] ZINC000827890613 602202398 /nfs/dbraw/zinc/20/23/98/602202398.db2.gz VSPIELFGDQNYIF-SNVBAGLBSA-N -1 0 398.400 -0.726 20 30 GBEDRM C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN(CC#N)CC(=O)[O-])C1=O ZINC000828087549 978968790 /nfs/dbraw/zinc/96/87/90/978968790.db2.gz BEQRMWSLJUTCOU-GOSISDBHSA-N -1 0 387.396 -0.129 20 30 GBEDRM C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN(CC#N)CC(=O)[O-])C1=O ZINC000828087550 978968925 /nfs/dbraw/zinc/96/89/25/978968925.db2.gz BEQRMWSLJUTCOU-SFHVURJKSA-N -1 0 387.396 -0.129 20 30 GBEDRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000828095587 603684122 /nfs/dbraw/zinc/68/41/22/603684122.db2.gz JGYHMXIZJYFIMX-FOCLMDBBSA-N -1 0 393.400 -0.817 20 30 GBEDRM CN(CC(=O)N1CCN(C(=O)[O-])CC1)C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000828095588 603683615 /nfs/dbraw/zinc/68/36/15/603683615.db2.gz JGYHMXIZJYFIMX-NXVVXOECSA-N -1 0 393.400 -0.817 20 30 GBEDRM CN(CC(=O)N1CCN(C(=O)[O-])C[C@H]1C#N)C1=NS(=O)(=O)c2ccccc21 ZINC000828095807 604077688 /nfs/dbraw/zinc/07/76/88/604077688.db2.gz OBMUANRHOISFNR-LLVKDONJSA-N -1 0 391.409 -0.218 20 30 GBEDRM CN(CC(=O)N1CCN(C(=O)[O-])C[C@@H]1C#N)C1=NS(=O)(=O)c2ccccc21 ZINC000828095808 604077675 /nfs/dbraw/zinc/07/76/75/604077675.db2.gz OBMUANRHOISFNR-NSHDSACASA-N -1 0 391.409 -0.218 20 30 GBEDRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000828312252 603754970 /nfs/dbraw/zinc/75/49/70/603754970.db2.gz JAIGLXZKNXWDHF-FOCLMDBBSA-N -1 0 379.417 -0.343 20 30 GBEDRM CN(CCN1CCN(C(=O)[O-])CC1)C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000828312253 603754479 /nfs/dbraw/zinc/75/44/79/603754479.db2.gz JAIGLXZKNXWDHF-NXVVXOECSA-N -1 0 379.417 -0.343 20 30 GBEDRM CN1C(=O)c2ccc(S(=O)(=O)N3CCN(C(=O)[O-])C[C@H]3C#N)cc2C1=O ZINC000828444305 604242588 /nfs/dbraw/zinc/24/25/88/604242588.db2.gz DUQROAYWGCBKFL-SECBINFHSA-N -1 0 378.366 -0.211 20 30 GBEDRM CN1C(=O)c2ccc(S(=O)(=O)N3CCN(C(=O)[O-])C[C@@H]3C#N)cc2C1=O ZINC000828444317 604242642 /nfs/dbraw/zinc/24/26/42/604242642.db2.gz DUQROAYWGCBKFL-VIFPVBQESA-N -1 0 378.366 -0.211 20 30 GBEDRM C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000828499917 601811888 /nfs/dbraw/zinc/81/18/88/601811888.db2.gz JTWKBWGGKBSUME-GFCCVEGCSA-N -1 0 394.457 -0.100 20 30 GBEDRM C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000828499921 601811896 /nfs/dbraw/zinc/81/18/96/601811896.db2.gz JTWKBWGGKBSUME-LBPRGKRZSA-N -1 0 394.457 -0.100 20 30 GBEDRM C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000828500902 601811891 /nfs/dbraw/zinc/81/18/91/601811891.db2.gz YVRGIFWXXRLREC-LLVKDONJSA-N -1 0 391.413 -0.471 20 30 GBEDRM C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000828500905 601811799 /nfs/dbraw/zinc/81/17/99/601811799.db2.gz YVRGIFWXXRLREC-NSHDSACASA-N -1 0 391.413 -0.471 20 30 GBEDRM CNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)ccc1OC ZINC000828578431 603592537 /nfs/dbraw/zinc/59/25/37/603592537.db2.gz AMKTXNLOSJRTRB-LLVKDONJSA-N -1 0 382.398 -0.069 20 30 GBEDRM CNS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)ccc1OC ZINC000828578442 603592238 /nfs/dbraw/zinc/59/22/38/603592238.db2.gz AMKTXNLOSJRTRB-NSHDSACASA-N -1 0 382.398 -0.069 20 30 GBEDRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c1 ZINC000828996779 604080011 /nfs/dbraw/zinc/08/00/11/604080011.db2.gz XEPDQNBQMFKZEL-JTQLQIEISA-N -1 0 385.402 -0.733 20 30 GBEDRM COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c1 ZINC000828996780 604080304 /nfs/dbraw/zinc/08/03/04/604080304.db2.gz XEPDQNBQMFKZEL-SNVBAGLBSA-N -1 0 385.402 -0.733 20 30 GBEDRM COc1cc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cc(OC)c1OCC(N)=O ZINC000829082290 603597371 /nfs/dbraw/zinc/59/73/71/603597371.db2.gz VUFVLJMJURJACE-LLVKDONJSA-N -1 0 392.368 -0.104 20 30 GBEDRM COc1cc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cc(OC)c1OCC(N)=O ZINC000829082291 603597303 /nfs/dbraw/zinc/59/73/03/603597303.db2.gz VUFVLJMJURJACE-NSHDSACASA-N -1 0 392.368 -0.104 20 30 GBEDRM CS(=O)(=O)c1ccc(-n2nnnc2CN2CCN(C(=O)[O-])C[C@H]2C#N)cc1 ZINC000829691699 603725423 /nfs/dbraw/zinc/72/54/23/603725423.db2.gz PIZRMDORZMHWPG-GFCCVEGCSA-N -1 0 391.413 -0.246 20 30 GBEDRM CS(=O)(=O)c1ccc(-n2nnnc2CN2CCN(C(=O)[O-])C[C@@H]2C#N)cc1 ZINC000829691700 603725517 /nfs/dbraw/zinc/72/55/17/603725517.db2.gz PIZRMDORZMHWPG-LBPRGKRZSA-N -1 0 391.413 -0.246 20 30 GBEDRM CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N(CC#N)CC(=O)[O-])cc1 ZINC000829885086 600963172 /nfs/dbraw/zinc/96/31/72/600963172.db2.gz CHPAVOVOQFYPNQ-UHFFFAOYSA-N -1 0 383.382 -0.422 20 30 GBEDRM Cc1cc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)nc2c1c(=O)n(C)c(=O)n2C ZINC000829930287 604073123 /nfs/dbraw/zinc/07/31/23/604073123.db2.gz NIVCCAARICCUAS-JTQLQIEISA-N -1 0 386.368 -0.731 20 30 GBEDRM Cc1cc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)nc2c1c(=O)n(C)c(=O)n2C ZINC000829930288 604073103 /nfs/dbraw/zinc/07/31/03/604073103.db2.gz NIVCCAARICCUAS-SNVBAGLBSA-N -1 0 386.368 -0.731 20 30 GBEDRM CCn1c(=O)c(C(=O)CN(CC#N)CC(=O)[O-])c(N)n(Cc2ccccc2)c1=O ZINC000830408087 979017392 /nfs/dbraw/zinc/01/73/92/979017392.db2.gz JFXSROMHGCAVAJ-UHFFFAOYSA-N -1 0 399.407 -0.247 20 30 GBEDRM Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C3(NC(=O)[O-])CC3)CC2)o1 ZINC000830703465 604761852 /nfs/dbraw/zinc/76/18/52/604761852.db2.gz FGDMKNZCJTYDPE-UHFFFAOYSA-N -1 0 377.357 -0.153 20 30 GBEDRM CN(CCC#N)S(=O)(=O)NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1 ZINC000830727058 601959871 /nfs/dbraw/zinc/95/98/71/601959871.db2.gz IDQSSORMNXDQRW-UHFFFAOYSA-N -1 0 389.455 -0.134 20 30 GBEDRM Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cn1C ZINC000830775188 604084833 /nfs/dbraw/zinc/08/48/33/604084833.db2.gz NGOYLHPCOYCRKS-LLVKDONJSA-N -1 0 384.418 -0.889 20 30 GBEDRM Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cn1C ZINC000830775190 604084764 /nfs/dbraw/zinc/08/47/64/604084764.db2.gz NGOYLHPCOYCRKS-NSHDSACASA-N -1 0 384.418 -0.889 20 30 GBEDRM Cc1nnc(N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)c(C#N)c1C ZINC000830887435 604047240 /nfs/dbraw/zinc/04/72/40/604047240.db2.gz KKSBMMJSQJPPSO-UHFFFAOYSA-N -1 0 380.430 -0.221 20 30 GBEDRM Cn1c2[nH]c(CCC(=O)N3CCN(C(=O)[O-])C[C@H]3C#N)nc2c(=O)[nH]c1=O ZINC000830963161 604067387 /nfs/dbraw/zinc/06/73/87/604067387.db2.gz GOFDMECFWYCJHQ-MRVPVSSYSA-N -1 0 375.345 -0.991 20 30 GBEDRM Cn1c2[nH]c(CCC(=O)N3CCN(C(=O)[O-])C[C@@H]3C#N)nc2c(=O)[nH]c1=O ZINC000830963165 604067237 /nfs/dbraw/zinc/06/72/37/604067237.db2.gz GOFDMECFWYCJHQ-QMMMGPOBSA-N -1 0 375.345 -0.991 20 30 GBEDRM Cn1c2ccc(S(=O)(=O)N3CCN(C(=O)[O-])C[C@@H]3C#N)cc2n(C)c1=O ZINC000830968200 603918469 /nfs/dbraw/zinc/91/84/69/603918469.db2.gz AVVGDLATEZZNGW-JTQLQIEISA-N -1 0 379.398 -0.247 20 30 GBEDRM Cn1c2ccc(S(=O)(=O)N3CCN(C(=O)[O-])C[C@H]3C#N)cc2n(C)c1=O ZINC000830968201 603918487 /nfs/dbraw/zinc/91/84/87/603918487.db2.gz AVVGDLATEZZNGW-SNVBAGLBSA-N -1 0 379.398 -0.247 20 30 GBEDRM Cn1cc(C#N)cc1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000830985397 603545040 /nfs/dbraw/zinc/54/50/40/603545040.db2.gz OWUDJWXRCDAPEU-UHFFFAOYSA-N -1 0 381.414 -0.653 20 30 GBEDRM Cn1cnc2c1c(=O)n(CCCN1CCN(C(=O)[O-])C[C@H]1C#N)c(=O)n2C ZINC000831040954 603725563 /nfs/dbraw/zinc/72/55/63/603725563.db2.gz DQBBHZIYSQXVPA-LLVKDONJSA-N -1 0 375.389 -0.988 20 30 GBEDRM Cn1cnc2c1c(=O)n(CCCN1CCN(C(=O)[O-])C[C@@H]1C#N)c(=O)n2C ZINC000831040955 603725476 /nfs/dbraw/zinc/72/54/76/603725476.db2.gz DQBBHZIYSQXVPA-NSHDSACASA-N -1 0 375.389 -0.988 20 30 GBEDRM N#C[C@@H](C(=O)CN(C[C@H]1CCCO1)C(=O)[O-])C(=O)N1CCS(=O)(=O)CC1 ZINC000831064293 603445950 /nfs/dbraw/zinc/44/59/50/603445950.db2.gz FGPJTHURUAWUIC-NEPJUHHUSA-N -1 0 387.414 -0.889 20 30 GBEDRM N#C[C@H](C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])C(=O)N1CCS(=O)(=O)CC1 ZINC000831064294 603445998 /nfs/dbraw/zinc/44/59/98/603445998.db2.gz FGPJTHURUAWUIC-NWDGAFQWSA-N -1 0 387.414 -0.889 20 30 GBEDRM N#C[C@@H](C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-])C(=O)N1CCS(=O)(=O)CC1 ZINC000831064295 603446050 /nfs/dbraw/zinc/44/60/50/603446050.db2.gz FGPJTHURUAWUIC-RYUDHWBXSA-N -1 0 387.414 -0.889 20 30 GBEDRM N#C[C@H](C(=O)CN(C[C@H]1CCCO1)C(=O)[O-])C(=O)N1CCS(=O)(=O)CC1 ZINC000831064296 603445896 /nfs/dbraw/zinc/44/58/96/603445896.db2.gz FGPJTHURUAWUIC-VXGBXAGGSA-N -1 0 387.414 -0.889 20 30 GBEDRM Cn1nnnc1-c1cccc(S(=O)(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)c1 ZINC000831064339 603916747 /nfs/dbraw/zinc/91/67/47/603916747.db2.gz FVFBAGHTUOPJCB-LLVKDONJSA-N -1 0 377.386 -0.246 20 30 GBEDRM Cn1nnnc1-c1cccc(S(=O)(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)c1 ZINC000831064340 603916890 /nfs/dbraw/zinc/91/68/90/603916890.db2.gz FVFBAGHTUOPJCB-NSHDSACASA-N -1 0 377.386 -0.246 20 30 GBEDRM COC(=O)[C@H](CC(=O)[O-])NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000831065134 600853765 /nfs/dbraw/zinc/85/37/65/600853765.db2.gz AQNLTBUJNVVRGU-KOLCDFICSA-N -1 0 397.409 -0.364 20 30 GBEDRM COC(=O)[C@H](CC(=O)[O-])NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000831065138 600853620 /nfs/dbraw/zinc/85/36/20/600853620.db2.gz AQNLTBUJNVVRGU-ONGXEEELSA-N -1 0 397.409 -0.364 20 30 GBEDRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000831065592 602180705 /nfs/dbraw/zinc/18/07/05/602180705.db2.gz DHFGEHPKYGLVAD-BXKDBHETSA-N -1 0 383.382 -0.642 20 30 GBEDRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000831065593 602180763 /nfs/dbraw/zinc/18/07/63/602180763.db2.gz DHFGEHPKYGLVAD-CABZTGNLSA-N -1 0 383.382 -0.642 20 30 GBEDRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000831065594 602180613 /nfs/dbraw/zinc/18/06/13/602180613.db2.gz DHFGEHPKYGLVAD-JOYOIKCWSA-N -1 0 383.382 -0.642 20 30 GBEDRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000831065595 602180590 /nfs/dbraw/zinc/18/05/90/602180590.db2.gz DHFGEHPKYGLVAD-SKDRFNHKSA-N -1 0 383.382 -0.642 20 30 GBEDRM N#C[C@H](C(=O)C[C@@H]1CSCCN1C(=O)[O-])C(=O)N1CCS(=O)(=O)CC1 ZINC000831066398 605420004 /nfs/dbraw/zinc/42/00/04/605420004.db2.gz WPTANQMDKZFEAJ-GHMZBOCLSA-N -1 0 389.455 -0.562 20 30 GBEDRM N#C[C@@H](C(=O)C[C@@H]1CSCCN1C(=O)[O-])C(=O)N1CCS(=O)(=O)CC1 ZINC000831066403 605419931 /nfs/dbraw/zinc/41/99/31/605419931.db2.gz WPTANQMDKZFEAJ-MNOVXSKESA-N -1 0 389.455 -0.562 20 30 GBEDRM N#C[C@@H](C(=O)C[C@H]1CSCCN1C(=O)[O-])C(=O)N1CCS(=O)(=O)CC1 ZINC000831066405 605420024 /nfs/dbraw/zinc/42/00/24/605420024.db2.gz WPTANQMDKZFEAJ-QWRGUYRKSA-N -1 0 389.455 -0.562 20 30 GBEDRM N#C[C@H](C(=O)C[C@H]1CSCCN1C(=O)[O-])C(=O)N1CCS(=O)(=O)CC1 ZINC000831066407 605419789 /nfs/dbraw/zinc/41/97/89/605419789.db2.gz WPTANQMDKZFEAJ-WDEREUQCSA-N -1 0 389.455 -0.562 20 30 GBEDRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000831067505 602178888 /nfs/dbraw/zinc/17/88/88/602178888.db2.gz SLRAVSMLARIFLQ-BXKDBHETSA-N -1 0 383.382 -0.642 20 30 GBEDRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000831067506 602179022 /nfs/dbraw/zinc/17/90/22/602179022.db2.gz SLRAVSMLARIFLQ-CABZTGNLSA-N -1 0 383.382 -0.642 20 30 GBEDRM COC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000831067507 602178722 /nfs/dbraw/zinc/17/87/22/602178722.db2.gz SLRAVSMLARIFLQ-JOYOIKCWSA-N -1 0 383.382 -0.642 20 30 GBEDRM COC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000831067508 602178959 /nfs/dbraw/zinc/17/89/59/602178959.db2.gz SLRAVSMLARIFLQ-SKDRFNHKSA-N -1 0 383.382 -0.642 20 30 GBEDRM N#C[C@@H](c1ccccc1)N1CCN(C(=O)Cn2nnnc2CNC(=O)[O-])CC1 ZINC000831070622 604031282 /nfs/dbraw/zinc/03/12/82/604031282.db2.gz OYUVSHOEKPBXPU-AWEZNQCLSA-N -1 0 384.400 -0.150 20 30 GBEDRM N#C[C@H](c1ccccc1)N1CCN(C(=O)Cn2nnnc2CNC(=O)[O-])CC1 ZINC000831070623 604031381 /nfs/dbraw/zinc/03/13/81/604031381.db2.gz OYUVSHOEKPBXPU-CQSZACIVSA-N -1 0 384.400 -0.150 20 30 GBEDRM N#CC1(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)CCOCC1 ZINC000831070721 603940967 /nfs/dbraw/zinc/94/09/67/603940967.db2.gz QQPPKIAWQNKFFW-UHFFFAOYSA-N -1 0 386.430 -0.857 20 30 GBEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 ZINC000831075957 603592571 /nfs/dbraw/zinc/59/25/71/603592571.db2.gz DZQSLWUDXPNGSB-GXTWGEPZSA-N -1 0 388.359 -0.040 20 30 GBEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 ZINC000831075958 603592403 /nfs/dbraw/zinc/59/24/03/603592403.db2.gz DZQSLWUDXPNGSB-JSGCOSHPSA-N -1 0 388.359 -0.040 20 30 GBEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 ZINC000831075959 603592222 /nfs/dbraw/zinc/59/22/22/603592222.db2.gz DZQSLWUDXPNGSB-OCCSQVGLSA-N -1 0 388.359 -0.040 20 30 GBEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 ZINC000831075960 603592207 /nfs/dbraw/zinc/59/22/07/603592207.db2.gz DZQSLWUDXPNGSB-TZMCWYRMSA-N -1 0 388.359 -0.040 20 30 GBEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000831076345 604069785 /nfs/dbraw/zinc/06/97/85/604069785.db2.gz KLOIUAFRIAATHP-GFCCVEGCSA-N -1 0 385.388 -0.550 20 30 GBEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000831076346 604069800 /nfs/dbraw/zinc/06/98/00/604069800.db2.gz KLOIUAFRIAATHP-LBPRGKRZSA-N -1 0 385.388 -0.550 20 30 GBEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000831082023 604078475 /nfs/dbraw/zinc/07/84/75/604078475.db2.gz GFKGLFOVVGQMDV-LLVKDONJSA-N -1 0 391.409 -0.170 20 30 GBEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000831082024 604078520 /nfs/dbraw/zinc/07/85/20/604078520.db2.gz GFKGLFOVVGQMDV-NSHDSACASA-N -1 0 391.409 -0.170 20 30 GBEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CNC(=O)c1cnc2ccccc2c1O ZINC000831082089 603602624 /nfs/dbraw/zinc/60/26/24/603602624.db2.gz IAVJMMSXGQQHQJ-LLVKDONJSA-N -1 0 383.364 -0.028 20 30 GBEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CNC(=O)c1cnc2ccccc2c1O ZINC000831082090 603602630 /nfs/dbraw/zinc/60/26/30/603602630.db2.gz IAVJMMSXGQQHQJ-NSHDSACASA-N -1 0 383.364 -0.028 20 30 GBEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000831082583 604071407 /nfs/dbraw/zinc/07/14/07/604071407.db2.gz OGAPRFUXNQSFDR-CABCVRRESA-N -1 0 393.444 -0.586 20 30 GBEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000831082584 604071285 /nfs/dbraw/zinc/07/12/85/604071285.db2.gz OGAPRFUXNQSFDR-GJZGRUSLSA-N -1 0 393.444 -0.586 20 30 GBEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000831082585 604071443 /nfs/dbraw/zinc/07/14/43/604071443.db2.gz OGAPRFUXNQSFDR-HUUCEWRRSA-N -1 0 393.444 -0.586 20 30 GBEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000831082586 604071417 /nfs/dbraw/zinc/07/14/17/604071417.db2.gz OGAPRFUXNQSFDR-LSDHHAIUSA-N -1 0 393.444 -0.586 20 30 GBEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000831082795 604155989 /nfs/dbraw/zinc/15/59/89/604155989.db2.gz RHQKXJYLEJLCOR-SECBINFHSA-N -1 0 387.308 -0.095 20 30 GBEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000831082796 604155932 /nfs/dbraw/zinc/15/59/32/604155932.db2.gz RHQKXJYLEJLCOR-VIFPVBQESA-N -1 0 387.308 -0.095 20 30 GBEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC000831083123 604069855 /nfs/dbraw/zinc/06/98/55/604069855.db2.gz WLXKYTPVKTWRGQ-JTQLQIEISA-N -1 0 377.382 -0.561 20 30 GBEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC000831083156 604069891 /nfs/dbraw/zinc/06/98/91/604069891.db2.gz WLXKYTPVKTWRGQ-SNVBAGLBSA-N -1 0 377.382 -0.561 20 30 GBEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000831083370 604073733 /nfs/dbraw/zinc/07/37/33/604073733.db2.gz ZZDCHJSNQQJAPT-JTQLQIEISA-N -1 0 378.366 -0.455 20 30 GBEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000831083371 604073545 /nfs/dbraw/zinc/07/35/45/604073545.db2.gz ZZDCHJSNQQJAPT-SNVBAGLBSA-N -1 0 378.366 -0.455 20 30 GBEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000831086962 604076870 /nfs/dbraw/zinc/07/68/70/604076870.db2.gz HVDVGWIYQUXMPN-SSDOTTSWSA-N -1 0 386.162 -0.574 20 30 GBEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000831086966 604076821 /nfs/dbraw/zinc/07/68/21/604076821.db2.gz HVDVGWIYQUXMPN-ZETCQYMHSA-N -1 0 386.162 -0.574 20 30 GBEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000831087944 604078485 /nfs/dbraw/zinc/07/84/85/604078485.db2.gz UNZVLTNDMNGDFS-LLVKDONJSA-N -1 0 380.382 -0.726 20 30 GBEDRM N#C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 ZINC000831087945 604078316 /nfs/dbraw/zinc/07/83/16/604078316.db2.gz UNZVLTNDMNGDFS-NSHDSACASA-N -1 0 380.382 -0.726 20 30 GBEDRM N#C[C@@H]1CN(C(=O)[O-])CCN1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000831092338 603728279 /nfs/dbraw/zinc/72/82/79/603728279.db2.gz UGVLGLSLMRBASO-GFCCVEGCSA-N -1 0 393.425 -0.589 20 30 GBEDRM N#C[C@H]1CN(C(=O)[O-])CCN1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000831092339 603728505 /nfs/dbraw/zinc/72/85/05/603728505.db2.gz UGVLGLSLMRBASO-LBPRGKRZSA-N -1 0 393.425 -0.589 20 30 GBEDRM N#CCCn1ccc(NC(=O)C(=O)NCCCN2CCN(C(=O)[O-])CC2)n1 ZINC000831097695 604148196 /nfs/dbraw/zinc/14/81/96/604148196.db2.gz QPYDLMKTABPXCT-UHFFFAOYSA-N -1 0 377.405 -0.463 20 30 GBEDRM N#CCSCC(=O)NC[C@@H]1CN(C(=O)[O-])CCN1C(=O)CSCC#N ZINC000831109846 605767588 /nfs/dbraw/zinc/76/75/88/605767588.db2.gz WWEDKWSYFBIXDD-LLVKDONJSA-N -1 0 385.471 -0.193 20 30 GBEDRM N#CCSCC(=O)NC[C@H]1CN(C(=O)[O-])CCN1C(=O)CSCC#N ZINC000831109847 605767621 /nfs/dbraw/zinc/76/76/21/605767621.db2.gz WWEDKWSYFBIXDD-NSHDSACASA-N -1 0 385.471 -0.193 20 30 GBEDRM N#Cc1cc(F)ccc1NC(=O)C(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000831117792 603672666 /nfs/dbraw/zinc/67/26/66/603672666.db2.gz FCVKINFYNBYXGZ-UHFFFAOYSA-N -1 0 377.332 -0.426 20 30 GBEDRM N#Cc1ccc(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)cn1 ZINC000831122408 603940822 /nfs/dbraw/zinc/94/08/22/603940822.db2.gz GRMXNFVIQBPOTK-UHFFFAOYSA-N -1 0 379.398 -0.597 20 30 GBEDRM N#Cc1ccc(CC(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)cc1 ZINC000831122685 603940809 /nfs/dbraw/zinc/94/08/09/603940809.db2.gz OUPDBWYDUZSHRT-UHFFFAOYSA-N -1 0 392.437 -0.063 20 30 GBEDRM N#Cc1ccc(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)nc1 ZINC000831122820 603940828 /nfs/dbraw/zinc/94/08/28/603940828.db2.gz STYOXTHVFUAOGC-UHFFFAOYSA-N -1 0 379.398 -0.597 20 30 GBEDRM N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCN(C(=O)[O-])CC3)n2)cc1 ZINC000831126322 603698762 /nfs/dbraw/zinc/69/87/62/603698762.db2.gz ACTAPOWWNAXUAH-UHFFFAOYSA-N -1 0 383.368 -0.041 20 30 GBEDRM COC(=O)C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-] ZINC000831128813 602180616 /nfs/dbraw/zinc/18/06/16/602180616.db2.gz NSBQBQGVEPENDX-BXKDBHETSA-N -1 0 383.382 -0.642 20 30 GBEDRM COC(=O)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-] ZINC000831128814 602180534 /nfs/dbraw/zinc/18/05/34/602180534.db2.gz NSBQBQGVEPENDX-CABZTGNLSA-N -1 0 383.382 -0.642 20 30 GBEDRM COC(=O)C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-] ZINC000831128815 602180605 /nfs/dbraw/zinc/18/06/05/602180605.db2.gz NSBQBQGVEPENDX-JOYOIKCWSA-N -1 0 383.382 -0.642 20 30 GBEDRM COC(=O)C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-] ZINC000831128816 602180711 /nfs/dbraw/zinc/18/07/11/602180711.db2.gz NSBQBQGVEPENDX-SKDRFNHKSA-N -1 0 383.382 -0.642 20 30 GBEDRM COC(=O)C[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)[O-] ZINC000831128989 600853964 /nfs/dbraw/zinc/85/39/64/600853964.db2.gz PKCYOALMQJNPJM-KOLCDFICSA-N -1 0 397.409 -0.364 20 30 GBEDRM COC(=O)C[C@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)[O-] ZINC000831128990 600854086 /nfs/dbraw/zinc/85/40/86/600854086.db2.gz PKCYOALMQJNPJM-ONGXEEELSA-N -1 0 397.409 -0.364 20 30 GBEDRM COC(=O)C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-] ZINC000831129250 602179383 /nfs/dbraw/zinc/17/93/83/602179383.db2.gz VDMZGSQSBQPHRS-BXKDBHETSA-N -1 0 383.382 -0.642 20 30 GBEDRM COC(=O)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-] ZINC000831129252 602179514 /nfs/dbraw/zinc/17/95/14/602179514.db2.gz VDMZGSQSBQPHRS-CABZTGNLSA-N -1 0 383.382 -0.642 20 30 GBEDRM COC(=O)C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-] ZINC000831129253 602179554 /nfs/dbraw/zinc/17/95/54/602179554.db2.gz VDMZGSQSBQPHRS-JOYOIKCWSA-N -1 0 383.382 -0.642 20 30 GBEDRM COC(=O)C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-] ZINC000831129254 602179643 /nfs/dbraw/zinc/17/96/43/602179643.db2.gz VDMZGSQSBQPHRS-SKDRFNHKSA-N -1 0 383.382 -0.642 20 30 GBEDRM N#Cc1ccc(NC(=O)C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)c(F)c1 ZINC000831137249 605360199 /nfs/dbraw/zinc/36/01/99/605360199.db2.gz UNPYDPIEEGZTQD-UHFFFAOYSA-N -1 0 377.332 -0.426 20 30 GBEDRM N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC3CN(C(=O)[O-])C3)CC2)cc1 ZINC000831141025 603644061 /nfs/dbraw/zinc/64/40/61/603644061.db2.gz AXHYUXQZZNPNJC-UHFFFAOYSA-N -1 0 393.425 -0.064 20 30 GBEDRM N#Cc1ccc(S(=O)(=O)NCC(=O)O[C@@H]2CN(C(=O)[O-])CCC2=O)cc1 ZINC000831141068 603610302 /nfs/dbraw/zinc/61/03/02/603610302.db2.gz BJEZMISCXDDJGM-CYBMUJFWSA-N -1 0 381.366 -0.299 20 30 GBEDRM N#Cc1ccc(S(=O)(=O)NCC(=O)O[C@H]2CN(C(=O)[O-])CCC2=O)cc1 ZINC000831141069 603610633 /nfs/dbraw/zinc/61/06/33/603610633.db2.gz BJEZMISCXDDJGM-ZDUSSCGKSA-N -1 0 381.366 -0.299 20 30 GBEDRM N#Cc1cccc(CC(=O)N2CC(S(=O)(=O)N3CCN(C(=O)[O-])CC3)C2)c1 ZINC000831146828 603457021 /nfs/dbraw/zinc/45/70/21/603457021.db2.gz ZXXIDBLGLRASGX-UHFFFAOYSA-N -1 0 392.437 -0.063 20 30 GBEDRM N#Cc1ccccc1S(=O)(=O)NCC(=O)O[C@@H]1CN(C(=O)[O-])CCC1=O ZINC000831157392 603638415 /nfs/dbraw/zinc/63/84/15/603638415.db2.gz WWOLGHIMEZYTBK-GFCCVEGCSA-N -1 0 381.366 -0.299 20 30 GBEDRM N#Cc1ccccc1S(=O)(=O)NCC(=O)O[C@H]1CN(C(=O)[O-])CCC1=O ZINC000831157394 603638053 /nfs/dbraw/zinc/63/80/53/603638053.db2.gz WWOLGHIMEZYTBK-LBPRGKRZSA-N -1 0 381.366 -0.299 20 30 GBEDRM N#Cc1ncn(CC(=O)Nc2cccc(S(=O)(=O)NCCNC(=O)[O-])c2)n1 ZINC000831161721 605675497 /nfs/dbraw/zinc/67/54/97/605675497.db2.gz KBVCSVFQYFOHFO-UHFFFAOYSA-N -1 0 393.385 -0.666 20 30 GBEDRM N#Cc1ncn(CC(=O)N2CCC[C@@H](C(=O)N3CCN(C(=O)[O-])CC3)C2)n1 ZINC000831161975 605659971 /nfs/dbraw/zinc/65/99/71/605659971.db2.gz SBMZCGWTSXAAKN-GFCCVEGCSA-N -1 0 375.389 -0.789 20 30 GBEDRM N#Cc1ncn(CC(=O)N2CCC[C@H](C(=O)N3CCN(C(=O)[O-])CC3)C2)n1 ZINC000831161976 605659637 /nfs/dbraw/zinc/65/96/37/605659637.db2.gz SBMZCGWTSXAAKN-LBPRGKRZSA-N -1 0 375.389 -0.789 20 30 GBEDRM COC(=O)CN(CC(=O)[O-])C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000831163955 600874597 /nfs/dbraw/zinc/87/45/97/600874597.db2.gz INZBTJPVMSTKKS-JTQLQIEISA-N -1 0 397.409 -0.410 20 30 GBEDRM COC(=O)CN(CC(=O)[O-])C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000831163956 600874418 /nfs/dbraw/zinc/87/44/18/600874418.db2.gz INZBTJPVMSTKKS-SNVBAGLBSA-N -1 0 397.409 -0.410 20 30 GBEDRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000831164369 602244797 /nfs/dbraw/zinc/24/47/97/602244797.db2.gz LTFGBKPYPLJDCC-JTQLQIEISA-N -1 0 383.382 -0.689 20 30 GBEDRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 ZINC000831164370 602244803 /nfs/dbraw/zinc/24/48/03/602244803.db2.gz LTFGBKPYPLJDCC-SNVBAGLBSA-N -1 0 383.382 -0.689 20 30 GBEDRM COC(=O)CN(CC(=O)[O-])C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000831164990 602244752 /nfs/dbraw/zinc/24/47/52/602244752.db2.gz XJPUKDHHOYHXRF-JTQLQIEISA-N -1 0 383.382 -0.689 20 30 GBEDRM COC(=O)CN(CC(=O)[O-])C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000831164991 602244733 /nfs/dbraw/zinc/24/47/33/602244733.db2.gz XJPUKDHHOYHXRF-SNVBAGLBSA-N -1 0 383.382 -0.689 20 30 GBEDRM O=C([O-])N1CCC(=O)[C@H](OC(=O)CN=C2NS(=O)(=O)c3ccccc32)C1 ZINC000831494117 603614314 /nfs/dbraw/zinc/61/43/14/603614314.db2.gz XJNBXLCKBUIGFC-LLVKDONJSA-N -1 0 381.366 -0.410 20 30 GBEDRM O=C([O-])N1CCC(=O)[C@@H](OC(=O)CN=C2NS(=O)(=O)c3ccccc32)C1 ZINC000831494119 603614674 /nfs/dbraw/zinc/61/46/74/603614674.db2.gz XJNBXLCKBUIGFC-NSHDSACASA-N -1 0 381.366 -0.410 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(C(=O)CSc2n[n-]c(=S)s2)CC1 ZINC000831564758 638025213 /nfs/dbraw/zinc/02/52/13/638025213.db2.gz GLRHOJTXEPAQLG-UHFFFAOYSA-N -1 0 393.541 -0.469 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)CC1 ZINC000831574694 638025756 /nfs/dbraw/zinc/02/57/56/638025756.db2.gz MUVTYIZKMRAPRW-UHFFFAOYSA-N -1 0 384.380 -0.945 20 30 GBEDRM COCCn1cc(C=c2sc(=C(C#N)C#N)n(CCCC(=O)[O-])c2=O)cn1 ZINC000831800987 600781533 /nfs/dbraw/zinc/78/15/33/600781533.db2.gz VUDFBMSLMXKVHL-UHFFFAOYSA-N -1 0 387.421 -0.356 20 30 GBEDRM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)C#Cc3ccccc3)C2)CC1 ZINC000832035851 604060990 /nfs/dbraw/zinc/06/09/90/604060990.db2.gz BVLZJTBMKVLXNT-UHFFFAOYSA-N -1 0 377.422 -0.126 20 30 GBEDRM COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN(CC#N)CC(=O)[O-])C2=O)cc1 ZINC000832265835 979041756 /nfs/dbraw/zinc/04/17/56/979041756.db2.gz SZQUZWYHICCHNN-KRWDZBQOSA-N -1 0 389.368 -0.596 20 30 GBEDRM COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CN(CC#N)CC(=O)[O-])C2=O)cc1 ZINC000832265838 979041803 /nfs/dbraw/zinc/04/18/03/979041803.db2.gz SZQUZWYHICCHNN-QGZVFWFLSA-N -1 0 389.368 -0.596 20 30 GBEDRM COc1ccc(NC(=O)CN(CC#N)CC(=O)[O-])cc1S(=O)(=O)N(C)C ZINC000832394703 601002142 /nfs/dbraw/zinc/00/21/42/601002142.db2.gz WTIQGLGTTSNNDL-UHFFFAOYSA-N -1 0 384.414 -0.206 20 30 GBEDRM COc1cccc([C@]2(C)NC(=O)N(NC(=O)CN(CC#N)CC(=O)[O-])C2=O)c1 ZINC000832539377 601005088 /nfs/dbraw/zinc/00/50/88/601005088.db2.gz CZCFFFCTVKJNGT-KRWDZBQOSA-N -1 0 389.368 -0.596 20 30 GBEDRM COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CN(CC#N)CC(=O)[O-])C2=O)c1 ZINC000832539378 601005016 /nfs/dbraw/zinc/00/50/16/601005016.db2.gz CZCFFFCTVKJNGT-QGZVFWFLSA-N -1 0 389.368 -0.596 20 30 GBEDRM Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@H](CC(=O)[O-])C3)CC2)o1 ZINC000832994376 601572745 /nfs/dbraw/zinc/57/27/45/601572745.db2.gz IRHFSCCQUNSMJN-CYBMUJFWSA-N -1 0 377.401 -0.321 20 30 GBEDRM Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@@H](CC(=O)[O-])C3)CC2)o1 ZINC000832994377 601572720 /nfs/dbraw/zinc/57/27/20/601572720.db2.gz IRHFSCCQUNSMJN-ZDUSSCGKSA-N -1 0 377.401 -0.321 20 30 GBEDRM Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN(CC#N)CC(=O)[O-])CC1 ZINC000833023038 601003383 /nfs/dbraw/zinc/00/33/83/601003383.db2.gz QQZJOLGRJYYSTE-UHFFFAOYSA-N -1 0 399.429 -0.965 20 30 GBEDRM Cn1c(=O)c(C(=O)CN(CC#N)CC(=O)[O-])c(N)n(Cc2ccccc2)c1=O ZINC000833037754 601005011 /nfs/dbraw/zinc/00/50/11/601005011.db2.gz REVYDWHCXUKNIC-UHFFFAOYSA-N -1 0 385.380 -0.730 20 30 GBEDRM Cn1c2ncn(CC(=O)O[C@H](C(=O)[O-])c3cccc(C#N)c3)c2c(=O)n(C)c1=O ZINC000833038056 601345246 /nfs/dbraw/zinc/34/52/46/601345246.db2.gz JXMMCIOTKKJHLA-AWEZNQCLSA-N -1 0 397.347 -0.326 20 30 GBEDRM Cn1c2ncn(CC(=O)O[C@@H](C(=O)[O-])c3cccc(C#N)c3)c2c(=O)n(C)c1=O ZINC000833038057 601345211 /nfs/dbraw/zinc/34/52/11/601345211.db2.gz JXMMCIOTKKJHLA-CQSZACIVSA-N -1 0 397.347 -0.326 20 30 GBEDRM Cn1c(N[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)c(C#N)c(=O)n(C)c1=O ZINC000833038593 601200979 /nfs/dbraw/zinc/20/09/79/601200979.db2.gz CZDRAJJDBRPZHS-JTQLQIEISA-N -1 0 389.393 -0.067 20 30 GBEDRM Cn1c(N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)c(C#N)c(=O)n(C)c1=O ZINC000833038597 601201020 /nfs/dbraw/zinc/20/10/20/601201020.db2.gz CZDRAJJDBRPZHS-SNVBAGLBSA-N -1 0 389.393 -0.067 20 30 GBEDRM Cn1cc(S(=O)(=O)NCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)cn1 ZINC000833053169 601348798 /nfs/dbraw/zinc/34/87/98/601348798.db2.gz QBANHXPLVAVAFL-AWEZNQCLSA-N -1 0 378.366 -0.061 20 30 GBEDRM Cn1cc(S(=O)(=O)NCC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)cn1 ZINC000833053170 601348728 /nfs/dbraw/zinc/34/87/28/601348728.db2.gz QBANHXPLVAVAFL-CQSZACIVSA-N -1 0 378.366 -0.061 20 30 GBEDRM Cn1cnc(S(=O)(=O)NCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000833057589 601604715 /nfs/dbraw/zinc/60/47/15/601604715.db2.gz GIKXUDKYFUZVJC-AWEZNQCLSA-N -1 0 378.366 -0.061 20 30 GBEDRM Cn1cnc(S(=O)(=O)NCC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000833057590 601604813 /nfs/dbraw/zinc/60/48/13/601604813.db2.gz GIKXUDKYFUZVJC-CQSZACIVSA-N -1 0 378.366 -0.061 20 30 GBEDRM Cn1cnc(S(=O)(=O)NCC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000833058201 601604677 /nfs/dbraw/zinc/60/46/77/601604677.db2.gz SUYDCELUFCOZFF-AWEZNQCLSA-N -1 0 378.366 -0.061 20 30 GBEDRM Cn1cnc(S(=O)(=O)NCC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000833058204 601604693 /nfs/dbraw/zinc/60/46/93/601604693.db2.gz SUYDCELUFCOZFF-CQSZACIVSA-N -1 0 378.366 -0.061 20 30 GBEDRM Cn1cnc2c1c(=O)n(CC(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)c(=O)n2C ZINC000833058533 601347044 /nfs/dbraw/zinc/34/70/44/601347044.db2.gz YDECBPMJFYXXRY-AWEZNQCLSA-N -1 0 397.347 -0.326 20 30 GBEDRM Cn1cnc2c1c(=O)n(CC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1)c(=O)n2C ZINC000833058535 601347038 /nfs/dbraw/zinc/34/70/38/601347038.db2.gz YDECBPMJFYXXRY-CQSZACIVSA-N -1 0 397.347 -0.326 20 30 GBEDRM N#CC(C#N)=c1sc(=Cc2c[nH]c(C(=O)[O-])c2)c(=O)n1CCN1CCOCC1 ZINC000833064820 601829804 /nfs/dbraw/zinc/82/98/04/601829804.db2.gz WMTVWDWJNYVRLW-UHFFFAOYSA-N -1 0 399.432 -0.705 20 30 GBEDRM N#CCN(CC(=O)[O-])CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000833065545 601006597 /nfs/dbraw/zinc/00/65/97/601006597.db2.gz CQABCOVONABPBG-UHFFFAOYSA-N -1 0 398.416 -0.431 20 30 GBEDRM N#CCN(CC(=O)[O-])CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000833065676 601005035 /nfs/dbraw/zinc/00/50/35/601005035.db2.gz FILJNMBVAVIKHI-UHFFFAOYSA-N -1 0 398.416 -0.431 20 30 GBEDRM N#CCN(CC(=O)[O-])C(=O)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000833065956 600963782 /nfs/dbraw/zinc/96/37/82/600963782.db2.gz LZHJXERYBKMLIX-AWEZNQCLSA-N -1 0 385.380 -0.027 20 30 GBEDRM N#CCN(CC(=O)[O-])C(=O)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000833065959 600963605 /nfs/dbraw/zinc/96/36/05/600963605.db2.gz LZHJXERYBKMLIX-CQSZACIVSA-N -1 0 385.380 -0.027 20 30 GBEDRM N#CCN(CC(=O)[O-])CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000833066107 601226798 /nfs/dbraw/zinc/22/67/98/601226798.db2.gz OMKPQIMVRZDMEF-UHFFFAOYSA-N -1 0 380.426 -0.570 20 30 GBEDRM N#CCN(CC(=O)[O-])CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000833066270 601006519 /nfs/dbraw/zinc/00/65/19/601006519.db2.gz RNBQAJSBUCWKRD-UHFFFAOYSA-N -1 0 398.416 -0.431 20 30 GBEDRM N#CCN(CC(=O)[O-])CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000833066297 601004325 /nfs/dbraw/zinc/00/43/25/601004325.db2.gz SZLASVPOJIGZIC-UHFFFAOYSA-N -1 0 394.453 -0.429 20 30 GBEDRM N#CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000833066448 600963685 /nfs/dbraw/zinc/96/36/85/600963685.db2.gz ZBKAFIYGWCULCF-JTQLQIEISA-N -1 0 380.382 -0.876 20 30 GBEDRM N#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000833066449 600963588 /nfs/dbraw/zinc/96/35/88/600963588.db2.gz ZBKAFIYGWCULCF-SNVBAGLBSA-N -1 0 380.382 -0.876 20 30 GBEDRM N#CCN(CC(=O)[O-])CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000833066698 601002749 /nfs/dbraw/zinc/00/27/49/601002749.db2.gz GWDMPGBXHFMTQU-UHFFFAOYSA-N -1 0 396.425 -0.444 20 30 GBEDRM N#CCN(CC(=O)[O-])CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000833066995 601004609 /nfs/dbraw/zinc/00/46/09/601004609.db2.gz MZJPBTDVXBQWNR-UHFFFAOYSA-N -1 0 396.425 -0.444 20 30 GBEDRM N#CCN(CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)CC(=O)[O-] ZINC000833067710 601005281 /nfs/dbraw/zinc/00/52/81/601005281.db2.gz YZNOGVFVMFYNAW-UHFFFAOYSA-N -1 0 383.426 -0.004 20 30 GBEDRM N#Cc1ccc([C@H](C(=O)[O-])N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 ZINC000833072796 604754805 /nfs/dbraw/zinc/75/48/05/604754805.db2.gz ZJUHOYQYURRVJK-GOSISDBHSA-N -1 0 384.392 -0.023 20 30 GBEDRM N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 ZINC000833072803 604754780 /nfs/dbraw/zinc/75/47/80/604754780.db2.gz ZJUHOYQYURRVJK-SFHVURJKSA-N -1 0 384.392 -0.023 20 30 GBEDRM N#Cc1ccc(N2CCN(S(=O)(=O)c3cnn(CC(=O)[O-])c3)CC2)nc1 ZINC000833073264 600720367 /nfs/dbraw/zinc/72/03/67/600720367.db2.gz KGWCADTZLJSLAY-UHFFFAOYSA-N -1 0 376.398 -0.255 20 30 GBEDRM N#Cc1cccc([C@@H](C(=O)[O-])N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 ZINC000833074093 601310669 /nfs/dbraw/zinc/31/06/69/601310669.db2.gz OJDMSFJNEONMDT-INIZCTEOSA-N -1 0 386.408 -0.313 20 30 GBEDRM N#Cc1cccc([C@H](C(=O)[O-])N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 ZINC000833074094 601310911 /nfs/dbraw/zinc/31/09/11/601310911.db2.gz OJDMSFJNEONMDT-MRXNPFEDSA-N -1 0 386.408 -0.313 20 30 GBEDRM N#Cc1cccnc1N1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000833076441 600698320 /nfs/dbraw/zinc/69/83/20/600698320.db2.gz GGAIQRZYKJPHOO-UHFFFAOYSA-N -1 0 376.398 -0.255 20 30 GBEDRM N#Cc1ccccc1S(=O)(=O)NCC(=O)OCCc1cn(CC(=O)[O-])nn1 ZINC000833076536 604835972 /nfs/dbraw/zinc/83/59/72/604835972.db2.gz IHXRCWDIACBAOA-UHFFFAOYSA-N -1 0 393.381 -0.701 20 30 GBEDRM N#Cc1ccnc(N2CCN(S(=O)(=O)c3cnn(CC(=O)[O-])c3)CC2)c1 ZINC000833076644 600701555 /nfs/dbraw/zinc/70/15/55/600701555.db2.gz LHORUDKPFDWLPS-UHFFFAOYSA-N -1 0 376.398 -0.255 20 30 GBEDRM O=C([O-])C[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 ZINC000833216235 601738353 /nfs/dbraw/zinc/73/83/53/601738353.db2.gz LDJASJUGKHXTMR-LLVKDONJSA-N -1 0 381.410 -0.183 20 30 GBEDRM O=C([O-])C[C@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 ZINC000833216238 601738489 /nfs/dbraw/zinc/73/84/89/601738489.db2.gz LDJASJUGKHXTMR-NSHDSACASA-N -1 0 381.410 -0.183 20 30 GBEDRM O=C([O-])CN(CCN1CCOCC1)C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000833248648 600943674 /nfs/dbraw/zinc/94/36/74/600943674.db2.gz XLJNEAFOPNJKIP-MSUUIHNZSA-N -1 0 380.401 -0.852 20 30 GBEDRM O=C([O-])CN(CCN1CCOCC1)C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000833248649 600943585 /nfs/dbraw/zinc/94/35/85/600943585.db2.gz XLJNEAFOPNJKIP-WUKNDPDISA-N -1 0 380.401 -0.852 20 30 GBEDRM O=C([O-])Cn1cc(CCOC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)nn1 ZINC000833271497 604702074 /nfs/dbraw/zinc/70/20/74/604702074.db2.gz FEBWONXOWGQUMI-UHFFFAOYSA-N -1 0 393.381 -0.813 20 30 GBEDRM C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)c1 ZINC000833363944 604905574 /nfs/dbraw/zinc/90/55/74/604905574.db2.gz FXQHCJPNAYQNSM-HNNXBMFYSA-N -1 0 380.422 -0.104 20 30 GBEDRM C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)c1 ZINC000833363945 604905498 /nfs/dbraw/zinc/90/54/98/604905498.db2.gz FXQHCJPNAYQNSM-OAHLLOKOSA-N -1 0 380.422 -0.104 20 30 GBEDRM C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC([C@H](O)C(=O)[O-])CC2)cc1 ZINC000833364105 604901713 /nfs/dbraw/zinc/90/17/13/604901713.db2.gz JTBQBNOHNVEKKH-HNNXBMFYSA-N -1 0 380.422 -0.104 20 30 GBEDRM C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC([C@@H](O)C(=O)[O-])CC2)cc1 ZINC000833364110 604902148 /nfs/dbraw/zinc/90/21/48/604902148.db2.gz JTBQBNOHNVEKKH-OAHLLOKOSA-N -1 0 380.422 -0.104 20 30 GBEDRM C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cc1 ZINC000833364114 604896025 /nfs/dbraw/zinc/89/60/25/604896025.db2.gz KAJNSMFOJPBHAC-AWEZNQCLSA-N -1 0 376.394 -0.253 20 30 GBEDRM C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c1 ZINC000833364507 604895841 /nfs/dbraw/zinc/89/58/41/604895841.db2.gz STQOWNGFMSKSJE-AWEZNQCLSA-N -1 0 376.394 -0.253 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(C[C@H](O)COc2ccc(C(=O)[O-])cc2)CC1 ZINC000833365077 604928206 /nfs/dbraw/zinc/92/82/06/604928206.db2.gz BDMPROAAIXVDBA-HNNXBMFYSA-N -1 0 397.453 -0.790 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)CC1 ZINC000833365081 604927954 /nfs/dbraw/zinc/92/79/54/604927954.db2.gz BDMPROAAIXVDBA-OAHLLOKOSA-N -1 0 397.453 -0.790 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN([C@H](C(=O)OC)c2cccc(C(=O)[O-])c2)CC1 ZINC000833365106 604928210 /nfs/dbraw/zinc/92/82/10/604928210.db2.gz BROIHSOMMPGLGF-HNNXBMFYSA-N -1 0 395.437 -0.316 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN([C@@H](C(=O)OC)c2cccc(C(=O)[O-])c2)CC1 ZINC000833365108 604928187 /nfs/dbraw/zinc/92/81/87/604928187.db2.gz BROIHSOMMPGLGF-OAHLLOKOSA-N -1 0 395.437 -0.316 20 30 GBEDRM C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2C(=O)[O-])CC1 ZINC000833365128 605202176 /nfs/dbraw/zinc/20/21/76/605202176.db2.gz BXFURBJVFVHYBO-UHFFFAOYSA-N -1 0 379.438 -0.251 20 30 GBEDRM C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc(F)c2C(=O)[O-])CC1 ZINC000833365138 605029142 /nfs/dbraw/zinc/02/91/42/605029142.db2.gz CFWGJNNXITZDTB-UHFFFAOYSA-N -1 0 397.428 -0.030 20 30 GBEDRM C#CCNC(=O)CN1CCCN(S(=O)(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC000833365170 605029140 /nfs/dbraw/zinc/02/91/40/605029140.db2.gz CROHTWMGKRHKOC-UHFFFAOYSA-N -1 0 393.465 -0.028 20 30 GBEDRM C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2C(=O)[O-])CC1 ZINC000833365183 604686950 /nfs/dbraw/zinc/68/69/50/604686950.db2.gz DFRWXJDIRVUICN-UHFFFAOYSA-N -1 0 397.428 -0.030 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccsc2C(=O)[O-])CC1 ZINC000833365210 604928152 /nfs/dbraw/zinc/92/81/52/604928152.db2.gz DNVBHQUYEBFMKA-UHFFFAOYSA-N -1 0 386.455 -0.530 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC000833365218 604928318 /nfs/dbraw/zinc/92/83/18/604928318.db2.gz DYEMHKIZHVTPIQ-UHFFFAOYSA-N -1 0 380.426 -0.592 20 30 GBEDRM C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccsc2C(=O)[O-])CC1 ZINC000833365243 605029123 /nfs/dbraw/zinc/02/91/23/605029123.db2.gz FQNUXWPFPAFICL-UHFFFAOYSA-N -1 0 385.467 -0.108 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN([C@H](C(=O)[O-])c2cccc(C(=O)OC)c2)CC1 ZINC000833365351 604928226 /nfs/dbraw/zinc/92/82/26/604928226.db2.gz HAHPMRVBQWNMMY-HNNXBMFYSA-N -1 0 395.437 -0.316 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN([C@@H](C(=O)[O-])c2cccc(C(=O)OC)c2)CC1 ZINC000833365352 604928238 /nfs/dbraw/zinc/92/82/38/604928238.db2.gz HAHPMRVBQWNMMY-OAHLLOKOSA-N -1 0 395.437 -0.316 20 30 GBEDRM C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)[O-])oc2CC)CC1 ZINC000833365382 605430253 /nfs/dbraw/zinc/43/02/53/605430253.db2.gz HNWPWENTQONUNN-UHFFFAOYSA-N -1 0 397.453 -0.014 20 30 GBEDRM C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC000833365396 604694849 /nfs/dbraw/zinc/69/48/49/604694849.db2.gz HUENOBVKDCLWST-UHFFFAOYSA-N -1 0 380.426 -0.774 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(Cc2cc(C(=O)[O-])cc(C(=O)OC)c2)CC1 ZINC000833365426 605209606 /nfs/dbraw/zinc/20/96/06/605209606.db2.gz IZEDPZVQQNIIPB-UHFFFAOYSA-N -1 0 395.437 -0.243 20 30 GBEDRM C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccccc2C(=O)[O-])CC1 ZINC000833365429 605029236 /nfs/dbraw/zinc/02/92/36/605029236.db2.gz JETYCZRLJAFXBG-UHFFFAOYSA-N -1 0 379.438 -0.169 20 30 GBEDRM C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(F)ccc2C(=O)[O-])CC1 ZINC000833365480 605029057 /nfs/dbraw/zinc/02/90/57/605029057.db2.gz KFFFQBRUQREDGL-UHFFFAOYSA-N -1 0 397.428 -0.030 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000833365509 604928314 /nfs/dbraw/zinc/92/83/14/604928314.db2.gz LEPZVAAZIFJJGD-UHFFFAOYSA-N -1 0 380.426 -0.592 20 30 GBEDRM C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2C(=O)[O-])CC1 ZINC000833365572 604684718 /nfs/dbraw/zinc/68/47/18/604684718.db2.gz NAXHSYVTVQCMRB-UHFFFAOYSA-N -1 0 383.401 -0.420 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN([C@H](C(=O)[O-])c2cc(OC)cc(OC)c2)CC1 ZINC000833365740 604928121 /nfs/dbraw/zinc/92/81/21/604928121.db2.gz QTVWLPYRUVGMGW-INIZCTEOSA-N -1 0 397.453 -0.085 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN([C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)CC1 ZINC000833365743 604928274 /nfs/dbraw/zinc/92/82/74/604928274.db2.gz QTVWLPYRUVGMGW-MRXNPFEDSA-N -1 0 397.453 -0.085 20 30 GBEDRM C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)CC1 ZINC000833365804 605201585 /nfs/dbraw/zinc/20/15/85/605201585.db2.gz SFTDTRLXDDFSGZ-UHFFFAOYSA-N -1 0 397.428 -0.030 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000833365806 604928222 /nfs/dbraw/zinc/92/82/22/604928222.db2.gz SFXMDHGZIKMBSZ-UHFFFAOYSA-N -1 0 380.426 -0.592 20 30 GBEDRM C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)[O-])oc2C)CC1 ZINC000833365816 604508391 /nfs/dbraw/zinc/50/83/91/604508391.db2.gz SPKSNCRFXIDEMP-UHFFFAOYSA-N -1 0 383.426 -0.268 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(CC(=O)Nc2cc(C(=O)[O-])ccc2C)CC1 ZINC000833365825 604927860 /nfs/dbraw/zinc/92/78/60/604927860.db2.gz SWQIKNLDNJTSCW-UHFFFAOYSA-N -1 0 394.453 -0.283 20 30 GBEDRM C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])oc2CC)CC1 ZINC000833365878 605427695 /nfs/dbraw/zinc/42/76/95/605427695.db2.gz VPPSPKXIRNOBSO-UHFFFAOYSA-N -1 0 383.426 -0.404 20 30 GBEDRM C#CCNC(=O)CN1CCCN(S(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC000833365920 605029222 /nfs/dbraw/zinc/02/92/22/605029222.db2.gz XMLIJWQXLINAEB-UHFFFAOYSA-N -1 0 386.455 -0.713 20 30 GBEDRM C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)CC1 ZINC000833365954 605201690 /nfs/dbraw/zinc/20/16/90/605201690.db2.gz ZBQUSGIPCDBMJL-UHFFFAOYSA-N -1 0 383.401 -0.420 20 30 GBEDRM C#CCOCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-] ZINC000833366490 605499089 /nfs/dbraw/zinc/49/90/89/605499089.db2.gz ZIWQLCHPVJROSX-UHFFFAOYSA-N -1 0 375.381 -0.074 20 30 GBEDRM C#CCn1c(=O)c(=Cc2c[nH]c(C(=O)[O-])c2)sc1=C(C#N)C(=O)NC(C)C ZINC000833367880 604664360 /nfs/dbraw/zinc/66/43/60/604664360.db2.gz ADFHOICKJTVOJT-UHFFFAOYSA-N -1 0 384.417 -0.403 20 30 GBEDRM C#CCn1c(=O)c(=Cc2c[nH]c(C(=O)[O-])c2)sc1=C(C#N)C(=O)N1CCCC1 ZINC000833368181 604664907 /nfs/dbraw/zinc/66/49/07/604664907.db2.gz IRKWMWVWWCBGGE-UHFFFAOYSA-N -1 0 396.428 -0.305 20 30 GBEDRM C#CCn1c(=O)c(=Cc2c[nH]c(C(=O)[O-])c2)sc1=C(C#N)C(=O)NC1CC1 ZINC000833368343 604665024 /nfs/dbraw/zinc/66/50/24/604665024.db2.gz MIUMDDAONLGUTE-UHFFFAOYSA-N -1 0 382.401 -0.649 20 30 GBEDRM C#CCn1c(=O)c(=Cc2cc(C(=O)[O-])c(C)o2)sc1=C(C#N)C(=O)NCC=C ZINC000833368349 604664970 /nfs/dbraw/zinc/66/49/70/604664970.db2.gz NASCYVFTJAUHER-UHFFFAOYSA-N -1 0 397.412 -0.052 20 30 GBEDRM C#CCn1c(=O)c(=Cc2c[nH]c(C(=O)[O-])c2)sc1=C(C#N)C(=O)NCC=C ZINC000833368371 604664941 /nfs/dbraw/zinc/66/49/41/604664941.db2.gz NSQOSFRWDCFOTE-UHFFFAOYSA-N -1 0 382.401 -0.625 20 30 GBEDRM C#CCn1c(=O)c(=Cc2ccc(OCC(=O)[O-])cc2)sc1=C(C#N)C(=O)NC ZINC000833368508 605160530 /nfs/dbraw/zinc/16/05/30/605160530.db2.gz PKBPSRVBWTXDHA-UHFFFAOYSA-N -1 0 397.412 -0.745 20 30 GBEDRM C#CCn1c(=O)c(=Cc2c[nH]c(C(=O)[O-])c2)sc1=C(C#N)C(=O)NCCCC ZINC000833368539 604665028 /nfs/dbraw/zinc/66/50/28/604665028.db2.gz QFEQJEISSJNECH-UHFFFAOYSA-N -1 0 398.444 -0.011 20 30 GBEDRM C#CCn1c(=O)c(=Cc2c[nH]c(C(=O)[O-])c2)sc1=C(C#N)C(=O)NCCC ZINC000833368680 604665095 /nfs/dbraw/zinc/66/50/95/604665095.db2.gz RSZUCKYCAUCRJY-UHFFFAOYSA-N -1 0 384.417 -0.401 20 30 GBEDRM C#CCn1c(=O)c(=Cc2c[nH]c(C(=O)[O-])c2)sc1=C(C#N)C(=O)NCC(C)C ZINC000833368956 604665100 /nfs/dbraw/zinc/66/51/00/604665100.db2.gz XSZNIYICHZQHLM-UHFFFAOYSA-N -1 0 398.444 -0.155 20 30 GBEDRM C#CCn1c(=O)c(=Cc2cc(C(=O)[O-])c(C)o2)sc1=C(C#N)C(=O)NC1CC1 ZINC000833368958 604665196 /nfs/dbraw/zinc/66/51/96/604665196.db2.gz XUNSSHMYUITXKV-UHFFFAOYSA-N -1 0 397.412 -0.076 20 30 GBEDRM C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC2CN(C(=O)[O-])C2)cc1 ZINC000833375220 605035199 /nfs/dbraw/zinc/03/51/99/605035199.db2.gz JZLCEJFBJIXONJ-UHFFFAOYSA-N -1 0 396.425 -0.090 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])C1=O ZINC000833375789 604850429 /nfs/dbraw/zinc/85/04/29/604850429.db2.gz GABIGMOHXSAPOV-GFCCVEGCSA-N -1 0 393.327 -0.249 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](Oc2ccc(F)cc2)C(=O)[O-])C1=O ZINC000833375790 604850437 /nfs/dbraw/zinc/85/04/37/604850437.db2.gz GABIGMOHXSAPOV-LBPRGKRZSA-N -1 0 393.327 -0.249 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)NC2(C(=O)OC)CCC(C(=O)[O-])CC2)C1=O ZINC000833375895 604742300 /nfs/dbraw/zinc/74/23/00/604742300.db2.gz ITIPKPCLYYQRNV-UHFFFAOYSA-N -1 0 395.368 -0.734 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)NC2(C(=O)[O-])CCC(C(=O)OC)CC2)C1=O ZINC000833376487 604742479 /nfs/dbraw/zinc/74/24/79/604742479.db2.gz WWEXFYMCKXQNTK-UHFFFAOYSA-N -1 0 395.368 -0.734 20 30 GBEDRM C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-] ZINC000833376762 605059094 /nfs/dbraw/zinc/05/90/94/605059094.db2.gz AZCTXONBOFRVEV-UHFFFAOYSA-N -1 0 390.396 -0.422 20 30 GBEDRM C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])n(C)c2)CC1 ZINC000833376808 605030101 /nfs/dbraw/zinc/03/01/01/605030101.db2.gz DMJWZGOMCOCELM-UHFFFAOYSA-N -1 0 377.401 -0.892 20 30 GBEDRM C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(O)(C(=O)[O-])CC2)cc1 ZINC000833376818 604737347 /nfs/dbraw/zinc/73/73/47/604737347.db2.gz RFICADCTHMGBPV-UHFFFAOYSA-N -1 0 375.381 -0.021 20 30 GBEDRM C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(=O)[O-])cc2)c(=O)n1C ZINC000833376976 605161368 /nfs/dbraw/zinc/16/13/68/605161368.db2.gz IHSKLRXVLGVDHG-UHFFFAOYSA-N -1 0 399.428 -0.285 20 30 GBEDRM C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])CC1 ZINC000833376990 605930663 /nfs/dbraw/zinc/93/06/63/605930663.db2.gz IWJNZHQQAPMDNU-UHFFFAOYSA-N -1 0 392.387 -0.091 20 30 GBEDRM C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2C(=O)[O-])CC1 ZINC000833377208 605930808 /nfs/dbraw/zinc/93/08/08/605930808.db2.gz RBXRWFBBUDIAAK-UHFFFAOYSA-N -1 0 392.387 -0.091 20 30 GBEDRM C=CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccsc2C(=O)[O-])CC1 ZINC000833377226 605473713 /nfs/dbraw/zinc/47/37/13/605473713.db2.gz RZPSWQYOPVLUGN-UHFFFAOYSA-N -1 0 380.426 -0.169 20 30 GBEDRM C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@H](C(=O)[O-])Oc2ccccc21 ZINC000833378338 605291029 /nfs/dbraw/zinc/29/10/29/605291029.db2.gz MDZRBCQYJIPZBR-CYBMUJFWSA-N -1 0 382.394 -0.418 20 30 GBEDRM C=CCS(=O)(=O)CCNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000833378342 605291027 /nfs/dbraw/zinc/29/10/27/605291027.db2.gz MDZRBCQYJIPZBR-ZDUSSCGKSA-N -1 0 382.394 -0.418 20 30 GBEDRM C=CCn1c(=O)c(=Cc2ccc(OCC(=O)[O-])cc2)sc1=C(C#N)C(=O)NC ZINC000833379344 605159051 /nfs/dbraw/zinc/15/90/51/605159051.db2.gz ANAOTBFBXMAYFT-UHFFFAOYSA-N -1 0 399.428 -0.192 20 30 GBEDRM CC(C)[C@H](C#N)N1CCN(C(=O)CN(CCN2CCOCC2)CC(=O)[O-])CC1 ZINC000833466288 605041374 /nfs/dbraw/zinc/04/13/74/605041374.db2.gz CWGGIKKBUBXOEX-KRWDZBQOSA-N -1 0 395.504 -0.602 20 30 GBEDRM CC(C)[C@@H](C#N)N1CCN(C(=O)CN(CCN2CCOCC2)CC(=O)[O-])CC1 ZINC000833466289 605041664 /nfs/dbraw/zinc/04/16/64/605041664.db2.gz CWGGIKKBUBXOEX-QGZVFWFLSA-N -1 0 395.504 -0.602 20 30 GBEDRM CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)C(=O)[O-] ZINC000833483508 605468775 /nfs/dbraw/zinc/46/87/75/605468775.db2.gz KTDYLXLERLRBPK-NEPJUHHUSA-N -1 0 383.426 -0.299 20 30 GBEDRM CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)C(=O)[O-] ZINC000833483509 605468844 /nfs/dbraw/zinc/46/88/44/605468844.db2.gz KTDYLXLERLRBPK-RYUDHWBXSA-N -1 0 383.426 -0.299 20 30 GBEDRM C[C@H](CC(=O)N1CCC(O)(C(=O)[O-])CC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000833514753 604747836 /nfs/dbraw/zinc/74/78/36/604747836.db2.gz ZUUZLRKCEIFTKL-LLVKDONJSA-N -1 0 395.437 -0.058 20 30 GBEDRM C[C@@H](CC(=O)N1CCC(O)(C(=O)[O-])CC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000833514754 604747826 /nfs/dbraw/zinc/74/78/26/604747826.db2.gz ZUUZLRKCEIFTKL-NSHDSACASA-N -1 0 395.437 -0.058 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000833522641 604748214 /nfs/dbraw/zinc/74/82/14/604748214.db2.gz CXPKTZOZYFLYPJ-LLVKDONJSA-N -1 0 381.410 -0.337 20 30 GBEDRM C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000833522643 604748106 /nfs/dbraw/zinc/74/81/06/604748106.db2.gz CXPKTZOZYFLYPJ-NSHDSACASA-N -1 0 381.410 -0.337 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833523350 604901026 /nfs/dbraw/zinc/90/10/26/604901026.db2.gz MXNXLHOIXSJRHL-ABAIWWIYSA-N -1 0 395.437 -0.091 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833523351 604901152 /nfs/dbraw/zinc/90/11/52/604901152.db2.gz MXNXLHOIXSJRHL-IAQYHMDHSA-N -1 0 395.437 -0.091 20 30 GBEDRM C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833523352 604901243 /nfs/dbraw/zinc/90/12/43/604901243.db2.gz MXNXLHOIXSJRHL-NHYWBVRUSA-N -1 0 395.437 -0.091 20 30 GBEDRM C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833523353 604901367 /nfs/dbraw/zinc/90/13/67/604901367.db2.gz MXNXLHOIXSJRHL-XHDPSFHLSA-N -1 0 395.437 -0.091 20 30 GBEDRM C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000833523515 605080817 /nfs/dbraw/zinc/08/08/17/605080817.db2.gz QJPKOQGSLQLOLY-HZMBPMFUSA-N -1 0 391.409 -0.240 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000833523516 605079455 /nfs/dbraw/zinc/07/94/55/605079455.db2.gz QJPKOQGSLQLOLY-YGRLFVJLSA-N -1 0 391.409 -0.240 20 30 GBEDRM CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])s1 ZINC000833665586 605009657 /nfs/dbraw/zinc/00/96/57/605009657.db2.gz IPASMJCETRKVCP-UHFFFAOYSA-N -1 0 395.484 -0.171 20 30 GBEDRM COC(=O)c1cc(S(=O)(=O)N(CC#N)CC(=O)[O-])c(C(=O)OC)s1 ZINC000833714791 605029859 /nfs/dbraw/zinc/02/98/59/605029859.db2.gz WWKHRXGMRMYWJW-UHFFFAOYSA-N -1 0 376.368 -0.080 20 30 GBEDRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CN=C1NS(=O)(=O)c2ccccc21 ZINC000833764377 604902074 /nfs/dbraw/zinc/90/20/74/604902074.db2.gz DLTCWCZZWLTVDM-NSHDSACASA-N -1 0 377.382 -0.740 20 30 GBEDRM C#CCN(C(=O)NCCCN1CCN(C(=O)[O-])CC1)[C@H]1CCS(=O)(=O)C1 ZINC000833787479 605930310 /nfs/dbraw/zinc/93/03/10/605930310.db2.gz QKQUDQZJMWRZNH-AWEZNQCLSA-N -1 0 386.474 -0.496 20 30 GBEDRM C#CCN(C(=O)NCCCN1CCN(C(=O)[O-])CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000833787480 605930040 /nfs/dbraw/zinc/93/00/40/605930040.db2.gz QKQUDQZJMWRZNH-CQSZACIVSA-N -1 0 386.474 -0.496 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@@H]3C2)C1=O ZINC000833788348 605477235 /nfs/dbraw/zinc/47/72/35/605477235.db2.gz VTEBTFPIKVTMFQ-QJPTWQEYSA-N -1 0 378.385 -0.142 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@H]3C2)C1=O ZINC000833788349 605476965 /nfs/dbraw/zinc/47/69/65/605476965.db2.gz VTEBTFPIKVTMFQ-SDDRHHMPSA-N -1 0 378.385 -0.142 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3CCC[C@H](NC(=O)[O-])[C@H]3C2)C1=O ZINC000833788350 605477474 /nfs/dbraw/zinc/47/74/74/605477474.db2.gz VTEBTFPIKVTMFQ-SRVKXCTJSA-N -1 0 378.385 -0.142 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H]3CCC[C@H](NC(=O)[O-])[C@@H]3C2)C1=O ZINC000833788351 605477391 /nfs/dbraw/zinc/47/73/91/605477391.db2.gz VTEBTFPIKVTMFQ-TUAOUCFPSA-N -1 0 378.385 -0.142 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)N2CCC3(C2)CCN(C(=O)[O-])CC3)C1=O ZINC000833788388 605907622 /nfs/dbraw/zinc/90/76/22/605907622.db2.gz XKOREHYXYNMPGD-UHFFFAOYSA-N -1 0 378.385 -0.044 20 30 GBEDRM CCOC(=O)c1cnn(CCC#N)c1NC(=O)CN1CCN(C(=O)[O-])CC1=O ZINC000833861264 605814806 /nfs/dbraw/zinc/81/48/06/605814806.db2.gz NKROIQJUMAVKOU-UHFFFAOYSA-N -1 0 392.372 -0.266 20 30 GBEDRM Cc1c(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C#N)cnc2c1c(=O)n(C)c(=O)n2C ZINC000833896494 605705399 /nfs/dbraw/zinc/70/53/99/605705399.db2.gz HBFRFCLPIHNXSO-JTQLQIEISA-N -1 0 386.368 -0.731 20 30 GBEDRM Cc1c(C(=O)N2CCN(C(=O)[O-])C[C@H]2C#N)cnc2c1c(=O)n(C)c(=O)n2C ZINC000833896495 605705396 /nfs/dbraw/zinc/70/53/96/605705396.db2.gz HBFRFCLPIHNXSO-SNVBAGLBSA-N -1 0 386.368 -0.731 20 30 GBEDRM N#C[C@H](c1cccs1)N1CCN(C(=O)Cn2nnnc2CNC(=O)[O-])CC1 ZINC000833964051 605740710 /nfs/dbraw/zinc/74/07/10/605740710.db2.gz BTBCFMAXMPONDM-LLVKDONJSA-N -1 0 390.429 -0.089 20 30 GBEDRM N#C[C@@H](c1cccs1)N1CCN(C(=O)Cn2nnnc2CNC(=O)[O-])CC1 ZINC000833964052 605740449 /nfs/dbraw/zinc/74/04/49/605740449.db2.gz BTBCFMAXMPONDM-NSHDSACASA-N -1 0 390.429 -0.089 20 30 GBEDRM N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CNC(=O)CNC(=O)[O-])CC1 ZINC000833964947 605363229 /nfs/dbraw/zinc/36/32/29/605363229.db2.gz VECRGOUMYQLDBA-AWEZNQCLSA-N -1 0 377.376 -0.082 20 30 GBEDRM N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CNC(=O)CNC(=O)[O-])CC1 ZINC000833964948 605363543 /nfs/dbraw/zinc/36/35/43/605363543.db2.gz VECRGOUMYQLDBA-CQSZACIVSA-N -1 0 377.376 -0.082 20 30 GBEDRM N#Cc1ccc(F)c(CS(=O)(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)c1 ZINC000833973120 605364157 /nfs/dbraw/zinc/36/41/57/605364157.db2.gz GYSDAXTVLQEKCM-UHFFFAOYSA-N -1 0 384.389 -0.061 20 30 GBEDRM N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CNC(=O)CNC(=O)[O-])cc1 ZINC000833973956 605377445 /nfs/dbraw/zinc/37/74/45/605377445.db2.gz DFASGCYSACBHBN-GFCCVEGCSA-N -1 0 391.409 -0.218 20 30 GBEDRM N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CNC(=O)CNC(=O)[O-])cc1 ZINC000833973961 605377844 /nfs/dbraw/zinc/37/78/44/605377844.db2.gz DFASGCYSACBHBN-LBPRGKRZSA-N -1 0 391.409 -0.218 20 30 GBEDRM N#Cc1cc(NC(=O)CNC(=O)CNC(=O)[O-])ccc1N1CCC(O)CC1 ZINC000833973976 605388672 /nfs/dbraw/zinc/38/86/72/605388672.db2.gz FYWIKMNQVRZEMQ-UHFFFAOYSA-N -1 0 375.385 -0.158 20 30 GBEDRM N#Cc1cc(NC(=O)[C@@H](CC(N)=O)NC(=O)[O-])ccc1N1CCC(O)CC1 ZINC000833974049 605760052 /nfs/dbraw/zinc/76/00/52/605760052.db2.gz HLVDYTWZTJCDDG-CYBMUJFWSA-N -1 0 375.385 -0.031 20 30 GBEDRM N#Cc1cc(NC(=O)[C@H](CC(N)=O)NC(=O)[O-])ccc1N1CCC(O)CC1 ZINC000833974054 605759939 /nfs/dbraw/zinc/75/99/39/605759939.db2.gz HLVDYTWZTJCDDG-ZDUSSCGKSA-N -1 0 375.385 -0.031 20 30 GBEDRM N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCC3CN(C(=O)[O-])C3)n2)cc1 ZINC000833974661 605777677 /nfs/dbraw/zinc/77/76/77/605777677.db2.gz VHLRMNVRZZHGNW-UHFFFAOYSA-N -1 0 383.368 -0.137 20 30 GBEDRM Cn1c2sc(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)cc2c(=O)n(C)c1=O ZINC000835276989 638032254 /nfs/dbraw/zinc/03/22/54/638032254.db2.gz WUOKBBIIUXTLPN-UHFFFAOYSA-N -1 0 384.439 -0.092 20 30 GBEDRM N#Cc1ccc(N2C[C@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC2=O)cc1Cl ZINC000835293001 638032465 /nfs/dbraw/zinc/03/24/65/638032465.db2.gz MASYNFVHXFTBQR-SECBINFHSA-N -1 0 384.801 -0.504 20 30 GBEDRM N#Cc1ccc(N2C[C@@H](C(=O)[N-]S(=O)(=O)CC(N)=O)CC2=O)cc1Cl ZINC000835293003 638032329 /nfs/dbraw/zinc/03/23/29/638032329.db2.gz MASYNFVHXFTBQR-VIFPVBQESA-N -1 0 384.801 -0.504 20 30 GBEDRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C#N)S1(=O)=O ZINC000842804877 638046487 /nfs/dbraw/zinc/04/64/87/638046487.db2.gz QUZBHTOPPJBJBH-LLVKDONJSA-N -1 0 388.383 -0.695 20 30 GBEDRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C#N)S1(=O)=O ZINC000842804878 638046346 /nfs/dbraw/zinc/04/63/46/638046346.db2.gz QUZBHTOPPJBJBH-NSHDSACASA-N -1 0 388.383 -0.695 20 30 GBEDRM Cn1nccc1[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)[O-] ZINC000843337466 939230190 /nfs/dbraw/zinc/23/01/90/939230190.db2.gz CHKFPMAXLJMMDU-AWEZNQCLSA-N -1 0 391.409 -0.209 20 30 GBEDRM Cn1nccc1[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)[O-] ZINC000843337467 939230216 /nfs/dbraw/zinc/23/02/16/939230216.db2.gz CHKFPMAXLJMMDU-CQSZACIVSA-N -1 0 391.409 -0.209 20 30 GBEDRM CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCC(C#CC(=O)[O-])CC2)CC1 ZINC000844814104 638057674 /nfs/dbraw/zinc/05/76/74/638057674.db2.gz HJVWSHPLJZNAQN-UHFFFAOYSA-N -1 0 392.499 -0.212 20 30 GBEDRM CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000847678897 638077800 /nfs/dbraw/zinc/07/78/00/638077800.db2.gz JJMNOYHFUKBUDI-JTQLQIEISA-N -1 0 376.435 -0.105 20 30 GBEDRM CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)[N-]S(=O)(=O)CC(N)=O ZINC000847678911 638078056 /nfs/dbraw/zinc/07/80/56/638078056.db2.gz JJMNOYHFUKBUDI-SNVBAGLBSA-N -1 0 376.435 -0.105 20 30 GBEDRM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000848506273 638083297 /nfs/dbraw/zinc/08/32/97/638083297.db2.gz AKMBVQYRPAHIAE-GMTAPVOTSA-N -1 0 384.380 -0.013 20 30 GBEDRM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000848506277 638083367 /nfs/dbraw/zinc/08/33/67/638083367.db2.gz AKMBVQYRPAHIAE-OUAUKWLOSA-N -1 0 384.380 -0.013 20 30 GBEDRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 ZINC000848942295 638087570 /nfs/dbraw/zinc/08/75/70/638087570.db2.gz GPRBXCIBRGDVFJ-UHFFFAOYSA-N -1 0 390.443 -0.823 20 30 GBEDRM CCO[N-]C(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 ZINC000848942794 638087951 /nfs/dbraw/zinc/08/79/51/638087951.db2.gz YCTGDNBEFBLZFL-JTQLQIEISA-N -1 0 390.443 -0.777 20 30 GBEDRM C#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1nn(C)cc1C#N ZINC000848957555 638092433 /nfs/dbraw/zinc/09/24/33/638092433.db2.gz AFONRHFHTQLYJU-UHFFFAOYSA-N -1 0 385.471 -0.149 20 30 GBEDRM CON(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc2n(c1C#N)CCS2 ZINC000848957918 638093554 /nfs/dbraw/zinc/09/35/54/638093554.db2.gz YAKOSAPVDRAHRB-UHFFFAOYSA-N -1 0 395.488 -0.185 20 30 GBEDRM C#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1nnn(C)c1C ZINC000848957966 638093490 /nfs/dbraw/zinc/09/34/90/638093490.db2.gz GIMCRKNZZWLIPH-UHFFFAOYSA-N -1 0 375.476 -0.317 20 30 GBEDRM C#CCN(C1CC1)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc(C)n(C)n1 ZINC000848958515 638094825 /nfs/dbraw/zinc/09/48/25/638094825.db2.gz QUPCROUIBKGVCV-UHFFFAOYSA-N -1 0 375.476 -0.317 20 30 GBEDRM N#C[C@@]1(F)CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cnsn2)C1 ZINC000848958629 638095372 /nfs/dbraw/zinc/09/53/72/638095372.db2.gz VHCWTEBYYFKBPH-JTQLQIEISA-N -1 0 383.452 -0.063 20 30 GBEDRM N#C[C@]1(F)CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cnsn2)C1 ZINC000848958630 638095389 /nfs/dbraw/zinc/09/53/89/638095389.db2.gz VHCWTEBYYFKBPH-SNVBAGLBSA-N -1 0 383.452 -0.063 20 30 GBEDRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@@](F)(C#N)C1 ZINC000848958685 638095352 /nfs/dbraw/zinc/09/53/52/638095352.db2.gz XSRCTGUTDIQUML-LLVKDONJSA-N -1 0 381.411 -0.223 20 30 GBEDRM Cc1nonc1[N-]S(=O)(=O)CCCS(=O)(=O)N1CC[C@](F)(C#N)C1 ZINC000848958686 638095295 /nfs/dbraw/zinc/09/52/95/638095295.db2.gz XSRCTGUTDIQUML-NSHDSACASA-N -1 0 381.411 -0.223 20 30 GBEDRM C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cncc(OC)n1 ZINC000848959139 638097039 /nfs/dbraw/zinc/09/70/39/638097039.db2.gz BCAGKUMYLXNYRK-LLVKDONJSA-N -1 0 376.460 -0.100 20 30 GBEDRM C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cncc(OC)n1 ZINC000848959140 638097018 /nfs/dbraw/zinc/09/70/18/638097018.db2.gz BCAGKUMYLXNYRK-NSHDSACASA-N -1 0 376.460 -0.100 20 30 GBEDRM C#CCN(CC)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc2ncccn2n1 ZINC000848959375 638097948 /nfs/dbraw/zinc/09/79/48/638097948.db2.gz HGBOAGMBRQGEGY-UHFFFAOYSA-N -1 0 386.459 -0.459 20 30 GBEDRM C#CCN(CC#C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nnc(C)s1 ZINC000848959722 638099204 /nfs/dbraw/zinc/09/92/04/638099204.db2.gz PNRJGOOJWVTJRO-UHFFFAOYSA-N -1 0 376.485 -0.123 20 30 GBEDRM N#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cnsn2)CC1 ZINC000848959991 638100274 /nfs/dbraw/zinc/10/02/74/638100274.db2.gz XRVBQDJDVOSQPM-UHFFFAOYSA-N -1 0 394.504 -0.859 20 30 GBEDRM N#CC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccsc2C(N)=O)C1 ZINC000848960191 638100731 /nfs/dbraw/zinc/10/07/31/638100731.db2.gz WUYDNYZRALPAIT-UHFFFAOYSA-N -1 0 392.484 -0.236 20 30 GBEDRM C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1n[nH]c(SC)n1 ZINC000848960457 638101388 /nfs/dbraw/zinc/10/13/88/638101388.db2.gz BGYPSIDLYPGTAX-SECBINFHSA-N -1 0 381.505 -0.058 20 30 GBEDRM C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1n[nH]c(SC)n1 ZINC000848960459 638101468 /nfs/dbraw/zinc/10/14/68/638101468.db2.gz BGYPSIDLYPGTAX-VIFPVBQESA-N -1 0 381.505 -0.058 20 30 GBEDRM C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncncc1OC ZINC000848960488 638101450 /nfs/dbraw/zinc/10/14/50/638101450.db2.gz CEFPCJYKMZULAZ-LLVKDONJSA-N -1 0 376.460 -0.100 20 30 GBEDRM C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncncc1OC ZINC000848960489 638101348 /nfs/dbraw/zinc/10/13/48/638101348.db2.gz CEFPCJYKMZULAZ-NSHDSACASA-N -1 0 376.460 -0.100 20 30 GBEDRM C#CC(C)(C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc(C)n(C)n1 ZINC000848960579 638101921 /nfs/dbraw/zinc/10/19/21/638101921.db2.gz KJQVMYUPCAFLGN-UHFFFAOYSA-N -1 0 377.492 -0.071 20 30 GBEDRM C#CCN(CC#CC)S(=O)(=O)CCCS(=O)(=O)[N-]c1nnn(C)c1C ZINC000848960707 638101895 /nfs/dbraw/zinc/10/18/95/638101895.db2.gz LYZRNSHZJPWCDO-UHFFFAOYSA-N -1 0 387.487 -0.456 20 30 GBEDRM C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C(N)=O)s1 ZINC000848961149 638102374 /nfs/dbraw/zinc/10/23/74/638102374.db2.gz QNPRZCGZRRWLFK-SECBINFHSA-N -1 0 394.500 -0.343 20 30 GBEDRM C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C(N)=O)s1 ZINC000848961151 638102475 /nfs/dbraw/zinc/10/24/75/638102475.db2.gz QNPRZCGZRRWLFK-VIFPVBQESA-N -1 0 394.500 -0.343 20 30 GBEDRM C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(OC)ncn1 ZINC000848961265 638103222 /nfs/dbraw/zinc/10/32/22/638103222.db2.gz SKWALOSZMWKBQB-LLVKDONJSA-N -1 0 376.460 -0.100 20 30 GBEDRM C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(OC)ncn1 ZINC000848961267 638103054 /nfs/dbraw/zinc/10/30/54/638103054.db2.gz SKWALOSZMWKBQB-NSHDSACASA-N -1 0 376.460 -0.100 20 30 GBEDRM C#CC(C)(C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nnn(C)c1C ZINC000848961278 638103156 /nfs/dbraw/zinc/10/31/56/638103156.db2.gz WDVAPPIKNWFECI-UHFFFAOYSA-N -1 0 377.492 -0.071 20 30 GBEDRM C#CCN(CC#CC)S(=O)(=O)CCCS(=O)(=O)[N-]c1cnsn1 ZINC000848961284 638103074 /nfs/dbraw/zinc/10/30/74/638103074.db2.gz WIRDUTUIEKEHLB-UHFFFAOYSA-N -1 0 376.485 -0.042 20 30 GBEDRM C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(N(C)C)ncn1 ZINC000848961321 638103115 /nfs/dbraw/zinc/10/31/15/638103115.db2.gz URIMLDFLUDVPPG-GFCCVEGCSA-N -1 0 389.503 -0.042 20 30 GBEDRM C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(N(C)C)ncn1 ZINC000848961322 638103080 /nfs/dbraw/zinc/10/30/80/638103080.db2.gz URIMLDFLUDVPPG-LBPRGKRZSA-N -1 0 389.503 -0.042 20 30 GBEDRM C#CCN(CC#CC)S(=O)(=O)CCCS(=O)(=O)[N-]c1nncs1 ZINC000848961399 638103127 /nfs/dbraw/zinc/10/31/27/638103127.db2.gz XUNZBTTWAZATLN-UHFFFAOYSA-N -1 0 376.485 -0.042 20 30 GBEDRM C#CCN(CC#CC)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc(C)n(C)n1 ZINC000848961414 638103205 /nfs/dbraw/zinc/10/32/05/638103205.db2.gz ZASPTVUXZQOGLT-UHFFFAOYSA-N -1 0 387.487 -0.456 20 30 GBEDRM COC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncc(C#N)s2)C1 ZINC000848961435 638103240 /nfs/dbraw/zinc/10/32/40/638103240.db2.gz WXPLUBCRNRILQI-UHFFFAOYSA-N -1 0 380.473 -0.193 20 30 GBEDRM C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(OC)cn1 ZINC000848961451 638103210 /nfs/dbraw/zinc/10/32/10/638103210.db2.gz XRAKAWQVTGCBKY-LLVKDONJSA-N -1 0 376.460 -0.100 20 30 GBEDRM C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(OC)cn1 ZINC000848961452 638103169 /nfs/dbraw/zinc/10/31/69/638103169.db2.gz XRAKAWQVTGCBKY-NSHDSACASA-N -1 0 376.460 -0.100 20 30 GBEDRM C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc2ncccn2n1 ZINC000848961499 638103193 /nfs/dbraw/zinc/10/31/93/638103193.db2.gz ZBDLOWOXSIGHGI-LLVKDONJSA-N -1 0 386.459 -0.461 20 30 GBEDRM C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc2ncccn2n1 ZINC000848961500 638103230 /nfs/dbraw/zinc/10/32/30/638103230.db2.gz ZBDLOWOXSIGHGI-NSHDSACASA-N -1 0 386.459 -0.461 20 30 GBEDRM C#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc2n(n1)CCCC2 ZINC000848961631 638103452 /nfs/dbraw/zinc/10/34/52/638103452.db2.gz HIJNUBQRLLOJAP-UHFFFAOYSA-N -1 0 375.476 -0.359 20 30 GBEDRM C#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C(N)=O)s1 ZINC000848961746 638103507 /nfs/dbraw/zinc/10/35/07/638103507.db2.gz MRAGRQBFYUFGKS-UHFFFAOYSA-N -1 0 380.473 -0.731 20 30 GBEDRM C#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc(C)cc(OC)n1 ZINC000848961883 638104180 /nfs/dbraw/zinc/10/41/80/638104180.db2.gz RPLYQPITBBJZGW-UHFFFAOYSA-N -1 0 376.460 -0.180 20 30 GBEDRM C#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(N(C)C)ncn1 ZINC000848961907 638104063 /nfs/dbraw/zinc/10/40/63/638104063.db2.gz SZLSHCUCIOBHRT-UHFFFAOYSA-N -1 0 375.476 -0.431 20 30 GBEDRM C#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nnc([C@H]2CCCO2)o1 ZINC000848962101 638104287 /nfs/dbraw/zinc/10/42/87/638104287.db2.gz ZNECQHLWEWRRIA-LLVKDONJSA-N -1 0 392.459 -0.052 20 30 GBEDRM C#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nnc([C@@H]2CCCO2)o1 ZINC000848962102 638104254 /nfs/dbraw/zinc/10/42/54/638104254.db2.gz ZNECQHLWEWRRIA-NSHDSACASA-N -1 0 392.459 -0.052 20 30 GBEDRM C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncn(C)n1)C(C)(C)C ZINC000848962142 638104897 /nfs/dbraw/zinc/10/48/97/638104897.db2.gz KTNUMUBUUXTXPZ-LLVKDONJSA-N -1 0 377.492 -0.086 20 30 GBEDRM C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncn(C)n1)C(C)(C)C ZINC000848962143 638104734 /nfs/dbraw/zinc/10/47/34/638104734.db2.gz KTNUMUBUUXTXPZ-NSHDSACASA-N -1 0 377.492 -0.086 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1nonc1C ZINC000848962206 638104686 /nfs/dbraw/zinc/10/46/86/638104686.db2.gz NRFMTPCLGQFLQC-MNOVXSKESA-N -1 0 380.448 -0.227 20 30 GBEDRM CN(CCO)S(=O)(=O)CCCS(=O)(=O)[N-]c1cnc(Cl)cc1C#N ZINC000848962312 638105331 /nfs/dbraw/zinc/10/53/31/638105331.db2.gz SRGYLTZVASMFOT-UHFFFAOYSA-N -1 0 396.878 -0.008 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1cnsn1 ZINC000848962463 638105354 /nfs/dbraw/zinc/10/53/54/638105354.db2.gz YDIPNUREPFECOP-ZJUUUORDSA-N -1 0 382.489 -0.067 20 30 GBEDRM N#Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H]2O)s1 ZINC000848962473 638105302 /nfs/dbraw/zinc/10/53/02/638105302.db2.gz YNQDPFUPRMTWNW-NXEZZACHSA-N -1 0 380.473 -0.411 20 30 GBEDRM C#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nonc2C)CC1 ZINC000848962511 638105995 /nfs/dbraw/zinc/10/59/95/638105995.db2.gz ANTBSFSOGBPVHU-UHFFFAOYSA-N -1 0 391.475 -0.910 20 30 GBEDRM C#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nccs2)CC1 ZINC000848962523 638105985 /nfs/dbraw/zinc/10/59/85/638105985.db2.gz BDDHVHISADGSBR-UHFFFAOYSA-N -1 0 392.528 -0.145 20 30 GBEDRM C#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nocc2C)CC1 ZINC000848962526 638106039 /nfs/dbraw/zinc/10/60/39/638106039.db2.gz BJQOIPZMCMNDRK-UHFFFAOYSA-N -1 0 390.487 -0.305 20 30 GBEDRM C#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nncs2)CC1 ZINC000848962559 638105978 /nfs/dbraw/zinc/10/59/78/638105978.db2.gz DOBLKAIZMMOUID-UHFFFAOYSA-N -1 0 393.516 -0.750 20 30 GBEDRM C#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncccn2)CC1 ZINC000848962586 638105898 /nfs/dbraw/zinc/10/58/98/638105898.db2.gz GEBZJBZOZXVUOC-UHFFFAOYSA-N -1 0 387.487 -0.811 20 30 GBEDRM C#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cnsn2)CC1 ZINC000848962595 638105890 /nfs/dbraw/zinc/10/58/90/638105890.db2.gz GNTWRQIPEHKHFJ-UHFFFAOYSA-N -1 0 393.516 -0.750 20 30 GBEDRM C#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2noc(C)n2)CC1 ZINC000848962609 638106035 /nfs/dbraw/zinc/10/60/35/638106035.db2.gz IDNQGXCUNWRNIP-UHFFFAOYSA-N -1 0 391.475 -0.910 20 30 GBEDRM C#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccn(C)n2)CC1 ZINC000848962629 638105931 /nfs/dbraw/zinc/10/59/31/638105931.db2.gz JYYPLXRSZPOIMA-UHFFFAOYSA-N -1 0 389.503 -0.868 20 30 GBEDRM C#CCCN1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)CC1 ZINC000848962646 638106574 /nfs/dbraw/zinc/10/65/74/638106574.db2.gz LHOLHUBQLOEVJB-UHFFFAOYSA-N -1 0 390.487 -0.223 20 30 GBEDRM C#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2cc(C)on2)CC1 ZINC000848962728 638106503 /nfs/dbraw/zinc/10/65/03/638106503.db2.gz RPTRWGSQJVZPJX-UHFFFAOYSA-N -1 0 390.487 -0.305 20 30 GBEDRM C#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccon2)CC1 ZINC000848962732 638106454 /nfs/dbraw/zinc/10/64/54/638106454.db2.gz RXSWEGVHCDEDRI-UHFFFAOYSA-N -1 0 376.460 -0.613 20 30 GBEDRM C#CCN1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ncc(C)o2)CC1 ZINC000848962763 638106480 /nfs/dbraw/zinc/10/64/80/638106480.db2.gz UYTXEZMCMSYTMI-UHFFFAOYSA-N -1 0 390.487 -0.305 20 30 GBEDRM C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1cnsn1)[C@H]1CCCO1 ZINC000848962851 638107170 /nfs/dbraw/zinc/10/71/70/638107170.db2.gz AOAHNQLNMUBCKF-GHMZBOCLSA-N -1 0 394.500 -0.230 20 30 GBEDRM C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1cnsn1)[C@@H]1CCCO1 ZINC000848962852 638107096 /nfs/dbraw/zinc/10/70/96/638107096.db2.gz AOAHNQLNMUBCKF-MNOVXSKESA-N -1 0 394.500 -0.230 20 30 GBEDRM C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1cnsn1)[C@@H]1CCCO1 ZINC000848962853 638107004 /nfs/dbraw/zinc/10/70/04/638107004.db2.gz AOAHNQLNMUBCKF-QWRGUYRKSA-N -1 0 394.500 -0.230 20 30 GBEDRM C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1cnsn1)[C@H]1CCCO1 ZINC000848962854 638107018 /nfs/dbraw/zinc/10/70/18/638107018.db2.gz AOAHNQLNMUBCKF-WDEREUQCSA-N -1 0 394.500 -0.230 20 30 GBEDRM C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1nnn(C)c1C)C(C)C ZINC000848962873 638107124 /nfs/dbraw/zinc/10/71/24/638107124.db2.gz BBYYOBPKKPALOX-GFCCVEGCSA-N -1 0 377.492 -0.167 20 30 GBEDRM C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1nnn(C)c1C)C(C)C ZINC000848962874 638107061 /nfs/dbraw/zinc/10/70/61/638107061.db2.gz BBYYOBPKKPALOX-LBPRGKRZSA-N -1 0 377.492 -0.167 20 30 GBEDRM C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1noc(C)n1)[C@@H]1CCCO1 ZINC000848962988 638107607 /nfs/dbraw/zinc/10/76/07/638107607.db2.gz FVYXGQJDLQOWBI-NEPJUHHUSA-N -1 0 392.459 -0.390 20 30 GBEDRM C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1noc(C)n1)[C@H]1CCCO1 ZINC000848962989 638107731 /nfs/dbraw/zinc/10/77/31/638107731.db2.gz FVYXGQJDLQOWBI-NWDGAFQWSA-N -1 0 392.459 -0.390 20 30 GBEDRM C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1noc(C)n1)[C@@H]1CCCO1 ZINC000848962990 638107723 /nfs/dbraw/zinc/10/77/23/638107723.db2.gz FVYXGQJDLQOWBI-RYUDHWBXSA-N -1 0 392.459 -0.390 20 30 GBEDRM C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1noc(C)n1)[C@H]1CCCO1 ZINC000848962991 638107614 /nfs/dbraw/zinc/10/76/14/638107614.db2.gz FVYXGQJDLQOWBI-VXGBXAGGSA-N -1 0 392.459 -0.390 20 30 GBEDRM C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1)[C@H]1CCCO1 ZINC000848963080 638107728 /nfs/dbraw/zinc/10/77/28/638107728.db2.gz IVRDPLGJFFCNBA-GHMZBOCLSA-N -1 0 377.448 -0.963 20 30 GBEDRM C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1)[C@@H]1CCCO1 ZINC000848963081 638107602 /nfs/dbraw/zinc/10/76/02/638107602.db2.gz IVRDPLGJFFCNBA-MNOVXSKESA-N -1 0 377.448 -0.963 20 30 GBEDRM C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1)[C@@H]1CCCO1 ZINC000848963082 638107550 /nfs/dbraw/zinc/10/75/50/638107550.db2.gz IVRDPLGJFFCNBA-QWRGUYRKSA-N -1 0 377.448 -0.963 20 30 GBEDRM C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1)[C@H]1CCCO1 ZINC000848963083 638107642 /nfs/dbraw/zinc/10/76/42/638107642.db2.gz IVRDPLGJFFCNBA-WDEREUQCSA-N -1 0 377.448 -0.963 20 30 GBEDRM C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncn(C)n1)[C@@H]1CCCO1 ZINC000848963213 638108239 /nfs/dbraw/zinc/10/82/39/638108239.db2.gz MKTSZYIIGUBWQT-NEPJUHHUSA-N -1 0 391.475 -0.953 20 30 GBEDRM C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncn(C)n1)[C@H]1CCCO1 ZINC000848963214 638108223 /nfs/dbraw/zinc/10/82/23/638108223.db2.gz MKTSZYIIGUBWQT-NWDGAFQWSA-N -1 0 391.475 -0.953 20 30 GBEDRM C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncn(C)n1)[C@@H]1CCCO1 ZINC000848963215 638108105 /nfs/dbraw/zinc/10/81/05/638108105.db2.gz MKTSZYIIGUBWQT-RYUDHWBXSA-N -1 0 391.475 -0.953 20 30 GBEDRM C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncn(C)n1)[C@H]1CCCO1 ZINC000848963216 638108170 /nfs/dbraw/zinc/10/81/70/638108170.db2.gz MKTSZYIIGUBWQT-VXGBXAGGSA-N -1 0 391.475 -0.953 20 30 GBEDRM C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncccn1)[C@H]1CCCO1 ZINC000848963263 638108215 /nfs/dbraw/zinc/10/82/15/638108215.db2.gz OCMKHFIHLKIZEZ-CHWSQXEVSA-N -1 0 388.471 -0.291 20 30 GBEDRM C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncccn1)[C@@H]1CCCO1 ZINC000848963264 638108244 /nfs/dbraw/zinc/10/82/44/638108244.db2.gz OCMKHFIHLKIZEZ-OLZOCXBDSA-N -1 0 388.471 -0.291 20 30 GBEDRM C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncccn1)[C@H]1CCCO1 ZINC000848963265 638108093 /nfs/dbraw/zinc/10/80/93/638108093.db2.gz OCMKHFIHLKIZEZ-QWHCGFSZSA-N -1 0 388.471 -0.291 20 30 GBEDRM C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncccn1)[C@@H]1CCCO1 ZINC000848963266 638108158 /nfs/dbraw/zinc/10/81/58/638108158.db2.gz OCMKHFIHLKIZEZ-STQMWFEESA-N -1 0 388.471 -0.291 20 30 GBEDRM C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1)[C@@H]1CCCO1 ZINC000848963270 638108206 /nfs/dbraw/zinc/10/82/06/638108206.db2.gz OGADQEHBNBBLCI-NEPJUHHUSA-N -1 0 377.444 -0.093 20 30 GBEDRM C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1)[C@H]1CCCO1 ZINC000848963271 638108121 /nfs/dbraw/zinc/10/81/21/638108121.db2.gz OGADQEHBNBBLCI-NWDGAFQWSA-N -1 0 377.444 -0.093 20 30 GBEDRM C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1)[C@@H]1CCCO1 ZINC000848963272 638108196 /nfs/dbraw/zinc/10/81/96/638108196.db2.gz OGADQEHBNBBLCI-RYUDHWBXSA-N -1 0 377.444 -0.093 20 30 GBEDRM C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1)[C@H]1CCCO1 ZINC000848963273 638108257 /nfs/dbraw/zinc/10/82/57/638108257.db2.gz OGADQEHBNBBLCI-VXGBXAGGSA-N -1 0 377.444 -0.093 20 30 GBEDRM C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc(C)n(C)n1)C(C)C ZINC000848963316 638108677 /nfs/dbraw/zinc/10/86/77/638108677.db2.gz PFWMNRGMTOCRER-GFCCVEGCSA-N -1 0 377.492 -0.167 20 30 GBEDRM C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc(C)n(C)n1)C(C)C ZINC000848963317 638108583 /nfs/dbraw/zinc/10/85/83/638108583.db2.gz PFWMNRGMTOCRER-LBPRGKRZSA-N -1 0 377.492 -0.167 20 30 GBEDRM C#C[C@H](CC)NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc2ncccn2n1 ZINC000848963334 638108743 /nfs/dbraw/zinc/10/87/43/638108743.db2.gz PSJWJXWZDOMVSE-LLVKDONJSA-N -1 0 386.459 -0.413 20 30 GBEDRM C#C[C@@H](CC)NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc2ncccn2n1 ZINC000848963335 638108621 /nfs/dbraw/zinc/10/86/21/638108621.db2.gz PSJWJXWZDOMVSE-NSHDSACASA-N -1 0 386.459 -0.413 20 30 GBEDRM C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1nonc1C)[C@@H]1CCCO1 ZINC000848963406 638108619 /nfs/dbraw/zinc/10/86/19/638108619.db2.gz QQRNKUSVNVBHEO-NEPJUHHUSA-N -1 0 392.459 -0.390 20 30 GBEDRM C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1nonc1C)[C@H]1CCCO1 ZINC000848963407 638108737 /nfs/dbraw/zinc/10/87/37/638108737.db2.gz QQRNKUSVNVBHEO-NWDGAFQWSA-N -1 0 392.459 -0.390 20 30 GBEDRM C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1nonc1C)[C@@H]1CCCO1 ZINC000848963408 638108597 /nfs/dbraw/zinc/10/85/97/638108597.db2.gz QQRNKUSVNVBHEO-RYUDHWBXSA-N -1 0 392.459 -0.390 20 30 GBEDRM C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1nonc1C)[C@H]1CCCO1 ZINC000848963409 638108662 /nfs/dbraw/zinc/10/86/62/638108662.db2.gz QQRNKUSVNVBHEO-VXGBXAGGSA-N -1 0 392.459 -0.390 20 30 GBEDRM C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1nncs1)[C@H]1CCCO1 ZINC000848963848 638110307 /nfs/dbraw/zinc/11/03/07/638110307.db2.gz DUQKUMIILHQADA-GHMZBOCLSA-N -1 0 394.500 -0.230 20 30 GBEDRM C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1nncs1)[C@@H]1CCCO1 ZINC000848963849 638110386 /nfs/dbraw/zinc/11/03/86/638110386.db2.gz DUQKUMIILHQADA-MNOVXSKESA-N -1 0 394.500 -0.230 20 30 GBEDRM C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1nncs1)[C@@H]1CCCO1 ZINC000848963850 638110402 /nfs/dbraw/zinc/11/04/02/638110402.db2.gz DUQKUMIILHQADA-QWRGUYRKSA-N -1 0 394.500 -0.230 20 30 GBEDRM C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1nncs1)[C@H]1CCCO1 ZINC000848963851 638110292 /nfs/dbraw/zinc/11/02/92/638110292.db2.gz DUQKUMIILHQADA-WDEREUQCSA-N -1 0 394.500 -0.230 20 30 GBEDRM C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccn(C)n1)[C@H]1CCCO1 ZINC000848963890 638110799 /nfs/dbraw/zinc/11/07/99/638110799.db2.gz GBNDSFQGAGKFTP-CHWSQXEVSA-N -1 0 390.487 -0.348 20 30 GBEDRM C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccn(C)n1)[C@@H]1CCCO1 ZINC000848963891 638110982 /nfs/dbraw/zinc/11/09/82/638110982.db2.gz GBNDSFQGAGKFTP-OLZOCXBDSA-N -1 0 390.487 -0.348 20 30 GBEDRM C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccn(C)n1)[C@H]1CCCO1 ZINC000848963892 638110923 /nfs/dbraw/zinc/11/09/23/638110923.db2.gz GBNDSFQGAGKFTP-QWHCGFSZSA-N -1 0 390.487 -0.348 20 30 GBEDRM C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccn(C)n1)[C@@H]1CCCO1 ZINC000848963893 638110761 /nfs/dbraw/zinc/11/07/61/638110761.db2.gz GBNDSFQGAGKFTP-STQMWFEESA-N -1 0 390.487 -0.348 20 30 GBEDRM C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1nnc([C@H]2CCCO2)o1 ZINC000848964526 638112200 /nfs/dbraw/zinc/11/22/00/638112200.db2.gz AUCJVWSSBWAUMP-GHMZBOCLSA-N -1 0 392.459 -0.006 20 30 GBEDRM C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1nnc([C@@H]2CCCO2)o1 ZINC000848964527 638112111 /nfs/dbraw/zinc/11/21/11/638112111.db2.gz AUCJVWSSBWAUMP-MNOVXSKESA-N -1 0 392.459 -0.006 20 30 GBEDRM C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1nnc([C@@H]2CCCO2)o1 ZINC000848964528 638112161 /nfs/dbraw/zinc/11/21/61/638112161.db2.gz AUCJVWSSBWAUMP-QWRGUYRKSA-N -1 0 392.459 -0.006 20 30 GBEDRM C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1nnc([C@H]2CCCO2)o1 ZINC000848964529 638112064 /nfs/dbraw/zinc/11/20/64/638112064.db2.gz AUCJVWSSBWAUMP-WDEREUQCSA-N -1 0 392.459 -0.006 20 30 GBEDRM C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc(C)cc(OC)n1 ZINC000848964604 638112753 /nfs/dbraw/zinc/11/27/53/638112753.db2.gz BLJHIBJYSHGYRX-JTQLQIEISA-N -1 0 376.460 -0.133 20 30 GBEDRM C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc(C)cc(OC)n1 ZINC000848964606 638112656 /nfs/dbraw/zinc/11/26/56/638112656.db2.gz BLJHIBJYSHGYRX-SNVBAGLBSA-N -1 0 376.460 -0.133 20 30 GBEDRM C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1cc(N(C)C)ncn1 ZINC000848965212 638113930 /nfs/dbraw/zinc/11/39/30/638113930.db2.gz LCIYFZMFFQTZAT-LLVKDONJSA-N -1 0 375.476 -0.385 20 30 GBEDRM C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1cc(N(C)C)ncn1 ZINC000848965213 638113816 /nfs/dbraw/zinc/11/38/16/638113816.db2.gz LCIYFZMFFQTZAT-NSHDSACASA-N -1 0 375.476 -0.385 20 30 GBEDRM C#CCCNS(=O)(=O)CCCS(=O)(=O)[N-]c1nc2n(n1)CCCC2 ZINC000848965497 638114492 /nfs/dbraw/zinc/11/44/92/638114492.db2.gz QILJFQYUKUWQSN-UHFFFAOYSA-N -1 0 375.476 -0.311 20 30 GBEDRM C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc2n(n1)CCCC2 ZINC000848965666 638114850 /nfs/dbraw/zinc/11/48/50/638114850.db2.gz UOECSOPKVNKNLU-LLVKDONJSA-N -1 0 375.476 -0.313 20 30 GBEDRM C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc2n(n1)CCCC2 ZINC000848965667 638115052 /nfs/dbraw/zinc/11/50/52/638115052.db2.gz UOECSOPKVNKNLU-NSHDSACASA-N -1 0 375.476 -0.313 20 30 GBEDRM C#C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C(N)=O)s1 ZINC000848965742 638115102 /nfs/dbraw/zinc/11/51/02/638115102.db2.gz WNBDJPPQFKNEET-MRVPVSSYSA-N -1 0 380.473 -0.685 20 30 GBEDRM C#C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)[N-]c1ncc(C(N)=O)s1 ZINC000848965743 638114909 /nfs/dbraw/zinc/11/49/09/638114909.db2.gz WNBDJPPQFKNEET-QMMMGPOBSA-N -1 0 380.473 -0.685 20 30 GBEDRM C#CCNS(=O)(=O)CCCS(=O)(=O)[N-]c1cncc(N2CCCC2)n1 ZINC000848966815 638118514 /nfs/dbraw/zinc/11/85/14/638118514.db2.gz CKKPRXGCEPNTGE-UHFFFAOYSA-N -1 0 387.487 -0.239 20 30 GBEDRM C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1nn(C)cc1Br ZINC000848966873 638118325 /nfs/dbraw/zinc/11/83/25/638118325.db2.gz FGQUVQXYVOOECY-UHFFFAOYSA-N -1 0 399.292 -0.133 20 30 GBEDRM C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1n[nH]cc1Br ZINC000848966927 638118609 /nfs/dbraw/zinc/11/86/09/638118609.db2.gz IBXJSXHZSZVODM-UHFFFAOYSA-N -1 0 385.265 -0.143 20 30 GBEDRM C#CCNS(=O)(=O)CCCS(=O)(=O)[N-]c1cnc(Br)cn1 ZINC000848967317 638119411 /nfs/dbraw/zinc/11/94/11/638119411.db2.gz XLTJMKACZVODNP-UHFFFAOYSA-N -1 0 397.276 -0.077 20 30 GBEDRM C#C[C@@H](C)NS(=O)(=O)CCCCS(=O)(=O)[N-]c1nc2ncccn2n1 ZINC000848967605 638119176 /nfs/dbraw/zinc/11/91/76/638119176.db2.gz DBYAWVRRNAVULG-LLVKDONJSA-N -1 0 386.459 -0.413 20 30 GBEDRM C#C[C@H](C)NS(=O)(=O)CCCCS(=O)(=O)[N-]c1nc2ncccn2n1 ZINC000848967606 638119365 /nfs/dbraw/zinc/11/93/65/638119365.db2.gz DBYAWVRRNAVULG-NSHDSACASA-N -1 0 386.459 -0.413 20 30 GBEDRM N#Cc1cc(Cl)ncc1[N-]S(=O)(=O)CCCS(=O)(=O)NCCO ZINC000848967661 638119275 /nfs/dbraw/zinc/11/92/75/638119275.db2.gz KBKKFHUHMWEGPP-UHFFFAOYSA-N -1 0 382.851 -0.350 20 30 GBEDRM C#CCNS(=O)(=O)CCCS(=O)(=O)[N-]c1nc2c(s1)COCC2 ZINC000848967812 638119446 /nfs/dbraw/zinc/11/94/46/638119446.db2.gz NMAPZSDRCXRLCF-UHFFFAOYSA-N -1 0 379.485 -0.100 20 30 GBEDRM C#CCNS(=O)(=O)CCCCS(=O)(=O)[N-]c1nc2n(n1)CCCC2 ZINC000848968582 638121189 /nfs/dbraw/zinc/12/11/89/638121189.db2.gz ZDMZGPKYERZSDA-UHFFFAOYSA-N -1 0 375.476 -0.311 20 30 GBEDRM C#CCN(C)S(=O)(=O)CCCCS(=O)(=O)[N-]c1nc2ncccn2n1 ZINC000848968768 638121179 /nfs/dbraw/zinc/12/11/79/638121179.db2.gz JOFPQCYMZFRPHK-UHFFFAOYSA-N -1 0 386.459 -0.459 20 30 GBEDRM C#CCN1CCN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2ccon2)CC1 ZINC000848969106 638121766 /nfs/dbraw/zinc/12/17/66/638121766.db2.gz ZLVUQDOCHHVOQG-UHFFFAOYSA-N -1 0 390.487 -0.223 20 30 GBEDRM C#C[C@@H](C)N(C)S(=O)(=O)CCCCS(=O)(=O)[N-]c1nc(C)n(C)n1 ZINC000848969607 638122666 /nfs/dbraw/zinc/12/26/66/638122666.db2.gz USSLAMWFXZGEHM-LLVKDONJSA-N -1 0 377.492 -0.071 20 30 GBEDRM C#C[C@H](C)N(C)S(=O)(=O)CCCCS(=O)(=O)[N-]c1nc(C)n(C)n1 ZINC000848969608 638122560 /nfs/dbraw/zinc/12/25/60/638122560.db2.gz USSLAMWFXZGEHM-NSHDSACASA-N -1 0 377.492 -0.071 20 30 GBEDRM C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1 ZINC000849219495 638124815 /nfs/dbraw/zinc/12/48/15/638124815.db2.gz YVXQCUOTXUECTI-UHFFFAOYSA-N -1 0 394.496 -0.062 20 30 GBEDRM C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000850787853 638143056 /nfs/dbraw/zinc/14/30/56/638143056.db2.gz CPNUGZSEOHQVSC-CYBMUJFWSA-N -1 0 375.447 -0.297 20 30 GBEDRM C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000850787854 638142980 /nfs/dbraw/zinc/14/29/80/638142980.db2.gz CPNUGZSEOHQVSC-ZDUSSCGKSA-N -1 0 375.447 -0.297 20 30 GBEDRM C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)N1CCC[C@@H]1C(=O)OCC ZINC000850828921 638143001 /nfs/dbraw/zinc/14/30/01/638143001.db2.gz YHDAHYMHXLEXES-CHWSQXEVSA-N -1 0 375.447 -0.154 20 30 GBEDRM C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)N1CCC[C@H]1C(=O)OCC ZINC000850828922 638143162 /nfs/dbraw/zinc/14/31/62/638143162.db2.gz YHDAHYMHXLEXES-OLZOCXBDSA-N -1 0 375.447 -0.154 20 30 GBEDRM C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)N1CCC[C@@H]1C(=O)OCC ZINC000850828923 638143301 /nfs/dbraw/zinc/14/33/01/638143301.db2.gz YHDAHYMHXLEXES-QWHCGFSZSA-N -1 0 375.447 -0.154 20 30 GBEDRM C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)N1CCC[C@H]1C(=O)OCC ZINC000850828924 638143295 /nfs/dbraw/zinc/14/32/95/638143295.db2.gz YHDAHYMHXLEXES-STQMWFEESA-N -1 0 375.447 -0.154 20 30 GBEDRM C=C(C)C[C@@H](NC(C)=O)C(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC000850912030 638143854 /nfs/dbraw/zinc/14/38/54/638143854.db2.gz ZOOKMJCBJICLDI-SECBINFHSA-N -1 0 375.432 -0.228 20 30 GBEDRM C=C(C)C[C@H](NC(C)=O)C(=O)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1 ZINC000850912031 638144574 /nfs/dbraw/zinc/14/45/74/638144574.db2.gz ZOOKMJCBJICLDI-VIFPVBQESA-N -1 0 375.432 -0.228 20 30 GBEDRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)S1(=O)=O ZINC000851190199 638145511 /nfs/dbraw/zinc/14/55/11/638145511.db2.gz DBEOJIXBDVSHGW-GFCCVEGCSA-N -1 0 375.403 -0.323 20 30 GBEDRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)S1(=O)=O ZINC000851190200 638145386 /nfs/dbraw/zinc/14/53/86/638145386.db2.gz DBEOJIXBDVSHGW-LBPRGKRZSA-N -1 0 375.403 -0.323 20 30 GBEDRM N#Cc1ccc(F)c(CS(=O)(=O)[N-]C(=O)CN2CCCS2(=O)=O)c1 ZINC000851192280 638145338 /nfs/dbraw/zinc/14/53/38/638145338.db2.gz FXLFLZYWAFDZDV-UHFFFAOYSA-N -1 0 375.403 -0.321 20 30 GBEDRM O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC000851615177 979537257 /nfs/dbraw/zinc/53/72/57/979537257.db2.gz BWCXTAZSTMKHIH-SMDDNHRTSA-N -1 0 381.410 -0.136 20 30 GBEDRM C[C@@H]1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000851882889 638155544 /nfs/dbraw/zinc/15/55/44/638155544.db2.gz JWDIHXGHEYKPIN-MXWKQRLJSA-N -1 0 384.380 -0.156 20 30 GBEDRM C[C@@H]1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000851882890 638155562 /nfs/dbraw/zinc/15/55/62/638155562.db2.gz JWDIHXGHEYKPIN-VWYCJHECSA-N -1 0 384.380 -0.156 20 30 GBEDRM C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1)C1CCOCC1 ZINC000852901102 638163050 /nfs/dbraw/zinc/16/30/50/638163050.db2.gz AUHXIDMGDHCQQN-GFCCVEGCSA-N -1 0 391.475 -0.716 20 30 GBEDRM C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1nc[nH]n1)C1CCOCC1 ZINC000852901110 638162728 /nfs/dbraw/zinc/16/27/28/638162728.db2.gz AUHXIDMGDHCQQN-LBPRGKRZSA-N -1 0 391.475 -0.716 20 30 GBEDRM O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC1(C(=O)[O-])CCOCC1 ZINC000852960971 939242595 /nfs/dbraw/zinc/24/25/95/939242595.db2.gz WPYFZIXOSZDNNK-UHFFFAOYSA-N -1 0 381.410 -0.135 20 30 GBEDRM C=C[C@H](CO)NC(=O)NCCN=c1ncnc2n(C)[n-]c(Br)c1-2 ZINC000853689110 638171144 /nfs/dbraw/zinc/17/11/44/638171144.db2.gz MMQXMFLNEIKSAW-MRVPVSSYSA-N -1 0 384.238 -0.243 20 30 GBEDRM N#Cc1ccc(CS(=O)(=O)[N-]C(=O)CN2CCCS2(=O)=O)c(F)c1 ZINC000861013700 638234780 /nfs/dbraw/zinc/23/47/80/638234780.db2.gz QLEKPRBEYRDSKZ-UHFFFAOYSA-N -1 0 375.403 -0.321 20 30 GBEDRM CN1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)S1(=O)=O ZINC000861015234 638234796 /nfs/dbraw/zinc/23/47/96/638234796.db2.gz HUBKHBAKJPUAHN-GFCCVEGCSA-N -1 0 375.403 -0.323 20 30 GBEDRM CN1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)S1(=O)=O ZINC000861015235 638235063 /nfs/dbraw/zinc/23/50/63/638235063.db2.gz HUBKHBAKJPUAHN-LBPRGKRZSA-N -1 0 375.403 -0.323 20 30 GBEDRM CO[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@@](C)(C(=O)[O-])C1 ZINC000864182284 979831306 /nfs/dbraw/zinc/83/13/06/979831306.db2.gz YMIXTPXGZZCKNF-MGPLVRAMSA-N -1 0 381.410 -0.184 20 30 GBEDRM CO[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@](C)(C(=O)[O-])C1 ZINC000864182285 979830896 /nfs/dbraw/zinc/83/08/96/979830896.db2.gz YMIXTPXGZZCKNF-QFYYESIMSA-N -1 0 381.410 -0.184 20 30 GBEDRM C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000919670187 637549065 /nfs/dbraw/zinc/54/90/65/637549065.db2.gz RWUBBBATJUCUGE-JTQLQIEISA-N -1 0 386.455 -0.430 20 30 GBEDRM C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000919670189 637549002 /nfs/dbraw/zinc/54/90/02/637549002.db2.gz RWUBBBATJUCUGE-SNVBAGLBSA-N -1 0 386.455 -0.430 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C[C@@H]1O ZINC000970702669 1072387537 /nfs/dbraw/zinc/38/75/37/1072387537.db2.gz WGWDHJJHXGHTNW-XEZLXBQYSA-N -1 0 388.380 -0.179 20 30 GBEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000972393832 1072403058 /nfs/dbraw/zinc/40/30/58/1072403058.db2.gz IUHOIGKGOIAZJK-CZXHOFHRSA-N -1 0 389.412 -0.063 20 30 GBEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC000972393883 1072403098 /nfs/dbraw/zinc/40/30/98/1072403098.db2.gz LKWZPWLZAHTZRP-COMQUAJESA-N -1 0 391.428 -0.270 20 30 GBEDRM C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC000972409744 1072406697 /nfs/dbraw/zinc/40/66/97/1072406697.db2.gz GXYCIEUFSQPOTE-SYQHCUMBSA-N -1 0 391.428 -0.270 20 30 GBEDRM C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000972410458 1072406718 /nfs/dbraw/zinc/40/67/18/1072406718.db2.gz SNSNAOABQQBXJS-LPWJVIDDSA-N -1 0 389.412 -0.063 20 30 GBEDRM C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC000974633733 1073358084 /nfs/dbraw/zinc/35/80/84/1073358084.db2.gz HFERUZJJDKKOIP-LPWJVIDDSA-N -1 0 389.412 -0.063 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC000974637435 1073358392 /nfs/dbraw/zinc/35/83/92/1073358392.db2.gz WKYIJZUIBPQSBH-KKOKHZNYSA-N -1 0 375.385 -0.453 20 30 GBEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC000974637723 1073358180 /nfs/dbraw/zinc/35/81/80/1073358180.db2.gz ZSFGKXORPPNPGJ-CZXHOFHRSA-N -1 0 389.412 -0.063 20 30 GBEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC000974700146 1073362041 /nfs/dbraw/zinc/36/20/41/1073362041.db2.gz CGLQDTLEGIAKAP-COMQUAJESA-N -1 0 391.428 -0.270 20 30 GBEDRM C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC000974702028 1073361814 /nfs/dbraw/zinc/36/18/14/1073361814.db2.gz JWMGXUMSPISEJE-SYQHCUMBSA-N -1 0 391.428 -0.270 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC000974705609 1073362792 /nfs/dbraw/zinc/36/27/92/1073362792.db2.gz ZWRUUFSDJWUTSZ-LPWJVIDDSA-N -1 0 377.401 -0.660 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)[C@@H]2C1 ZINC000974710348 1073361893 /nfs/dbraw/zinc/36/18/93/1073361893.db2.gz CZYLHZXNCOMLFC-GBOPCIDUSA-N -1 0 388.424 -0.250 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC000975257201 1073382290 /nfs/dbraw/zinc/38/22/90/1073382290.db2.gz XMSJVPRMHCIWLK-KKOKHZNYSA-N -1 0 375.385 -0.453 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC000975261310 1073382005 /nfs/dbraw/zinc/38/20/05/1073382005.db2.gz OXHWOIUMRMCHJM-LPWJVIDDSA-N -1 0 377.401 -0.660 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)C[C@H]21 ZINC000975261893 1073382373 /nfs/dbraw/zinc/38/23/73/1073382373.db2.gz QMEDIFPJSLXOGC-GBOPCIDUSA-N -1 0 388.424 -0.250 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]21 ZINC000975827583 1073404106 /nfs/dbraw/zinc/40/41/06/1073404106.db2.gz LWXJIVRNKCSXHP-RNJOBUHISA-N -1 0 389.412 -0.063 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]21 ZINC000975843402 1073405081 /nfs/dbraw/zinc/40/50/81/1073405081.db2.gz NFJGLENVWBPJEY-CRWXNKLISA-N -1 0 391.428 -0.270 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@H]2C1 ZINC000976047402 1073414955 /nfs/dbraw/zinc/41/49/55/1073414955.db2.gz RGAPRLDVUOORIY-CRWXNKLISA-N -1 0 391.428 -0.270 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@H]2C1 ZINC000976053334 1073416617 /nfs/dbraw/zinc/41/66/17/1073416617.db2.gz NKTABUNODDTJOM-RNJOBUHISA-N -1 0 389.412 -0.063 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000977033937 1073464019 /nfs/dbraw/zinc/46/40/19/1073464019.db2.gz FVSLTMQQLVWLFU-LPWJVIDDSA-N -1 0 379.417 -0.176 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000981809425 1073649569 /nfs/dbraw/zinc/64/95/69/1073649569.db2.gz URNGTDOXKHSHQI-QCNOEVLYSA-N -1 0 377.401 -0.111 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000982154454 1073690198 /nfs/dbraw/zinc/69/01/98/1073690198.db2.gz ISJFEFOQPRYBRG-LOWDOPEQSA-N -1 0 379.417 -0.319 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000982154561 1073689824 /nfs/dbraw/zinc/68/98/24/1073689824.db2.gz NWBUZDTZDAVZRS-QCNOEVLYSA-N -1 0 377.401 -0.111 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1CC ZINC000985189180 1073476527 /nfs/dbraw/zinc/47/65/27/1073476527.db2.gz RWJKIMHHMRUZDK-KXNHARMFSA-N -1 0 377.401 -0.017 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1CC ZINC000985224306 1073480786 /nfs/dbraw/zinc/48/07/86/1073480786.db2.gz MXOGERFZPNCPAI-XQHKEYJVSA-N -1 0 379.417 -0.224 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1CC ZINC000985514066 1073529760 /nfs/dbraw/zinc/52/97/60/1073529760.db2.gz AGOFPTDXQKAWFB-KXNHARMFSA-N -1 0 377.401 -0.017 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1CC ZINC000985514095 1073529989 /nfs/dbraw/zinc/52/99/89/1073529989.db2.gz ASGCQYJPYDYYHR-XQHKEYJVSA-N -1 0 379.417 -0.224 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1 ZINC000986441125 1073853645 /nfs/dbraw/zinc/85/36/45/1073853645.db2.gz IFYNOCVQFXAIIV-XQHKEYJVSA-N -1 0 389.412 -0.206 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]2C1 ZINC000986465817 1073853551 /nfs/dbraw/zinc/85/35/51/1073853551.db2.gz NHHUICYAMUJOJM-RQJABVFESA-N -1 0 391.428 -0.413 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)CC[C@@H]2C1 ZINC000986696885 1073880958 /nfs/dbraw/zinc/88/09/58/1073880958.db2.gz MCRYUDWZIPXCEY-XQHKEYJVSA-N -1 0 389.412 -0.206 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC[C@@H]2C1 ZINC000986697123 1073880415 /nfs/dbraw/zinc/88/04/15/1073880415.db2.gz OUUMNNXWZYRDRW-RQJABVFESA-N -1 0 391.428 -0.413 20 30 GBEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC000988278400 1073921024 /nfs/dbraw/zinc/92/10/24/1073921024.db2.gz HXCDRJDTCYZGNW-BLFANLJRSA-N -1 0 377.401 -0.017 20 30 GBEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC000988278711 1073921352 /nfs/dbraw/zinc/92/13/52/1073921352.db2.gz LXBMVWJRDHDVRS-UHXUPSOCSA-N -1 0 379.417 -0.224 20 30 GBEDRM C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC000988305721 1073923147 /nfs/dbraw/zinc/92/31/47/1073923147.db2.gz VOCIFCYSBFSPSE-NDBYEHHHSA-N -1 0 379.417 -0.224 20 30 GBEDRM C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H]1C ZINC000988308147 1073924866 /nfs/dbraw/zinc/92/48/66/1073924866.db2.gz APCVIOHIDLFKCN-WYUUTHIRSA-N -1 0 377.401 -0.017 20 30 GBEDRM C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001021798170 1072552396 /nfs/dbraw/zinc/55/23/96/1072552396.db2.gz HZRQCRZCAQHFNZ-LOWDOPEQSA-N -1 0 389.412 -0.063 20 30 GBEDRM C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001021799049 1072553666 /nfs/dbraw/zinc/55/36/66/1072553666.db2.gz YCKXDIDPJRLDNG-DGAVXFQQSA-N -1 0 391.428 -0.270 20 30 GBEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001022256615 1072196348 /nfs/dbraw/zinc/19/63/48/1072196348.db2.gz KJTZSRABCRZAAM-FMSGJZPZSA-N -1 0 389.412 -0.063 20 30 GBEDRM C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001022256689 1072196554 /nfs/dbraw/zinc/19/65/54/1072196554.db2.gz OBBVDLAUFVOPHS-LOWDOPEQSA-N -1 0 389.412 -0.063 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001022257349 1072197447 /nfs/dbraw/zinc/19/74/47/1072197447.db2.gz ZXDHSBLAFJLHBY-QCNOEVLYSA-N -1 0 375.385 -0.453 20 30 GBEDRM C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001022318619 1072211345 /nfs/dbraw/zinc/21/13/45/1072211345.db2.gz RWCNNCBMXLVRSI-DGAVXFQQSA-N -1 0 391.428 -0.270 20 30 GBEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001022318660 1072211389 /nfs/dbraw/zinc/21/13/89/1072211389.db2.gz SZZXWYUVZPZYKM-XPCVCDNBSA-N -1 0 391.428 -0.270 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H]2C1 ZINC001022319048 1072211229 /nfs/dbraw/zinc/21/12/29/1072211229.db2.gz ZARQQHKGCOLCNH-LOWDOPEQSA-N -1 0 377.401 -0.660 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)c3cnc([O-])n(C)c3=O)[C@@H]2C1 ZINC001022340802 1072218054 /nfs/dbraw/zinc/21/80/54/1072218054.db2.gz ZAMJYBDGEJBVPL-MXYBEHONSA-N -1 0 388.424 -0.250 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@H]21 ZINC001022749883 1072359763 /nfs/dbraw/zinc/35/97/63/1072359763.db2.gz BIZHTAOSOTWCLW-QCNOEVLYSA-N -1 0 375.385 -0.453 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]21 ZINC001022750157 1072359153 /nfs/dbraw/zinc/35/91/53/1072359153.db2.gz PZWRCBYJLXRBCK-LOWDOPEQSA-N -1 0 377.401 -0.660 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(C(=O)c3cnc([O-])n(C)c3=O)C[C@H]21 ZINC001022752097 1072359969 /nfs/dbraw/zinc/35/99/69/1072359969.db2.gz UYFFDQRMFWUMGF-MXYBEHONSA-N -1 0 388.424 -0.250 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001024765942 1072886740 /nfs/dbraw/zinc/88/67/40/1072886740.db2.gz GMPHWZUDZIAKAX-JHEVNIALSA-N -1 0 388.380 -0.179 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C[C@H]1O ZINC001025709701 1073179502 /nfs/dbraw/zinc/17/95/02/1073179502.db2.gz WGWDHJJHXGHTNW-JHEVNIALSA-N -1 0 388.380 -0.179 20 30 GBEDRM CC(C)(CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)[C@H]1COCC12OCCO2 ZINC001142032206 1073514675 /nfs/dbraw/zinc/51/46/75/1073514675.db2.gz ZCRLJBSGZGEPTO-CYBMUJFWSA-N -1 0 392.412 -0.257 20 30 GBEDRM CC(C)(CNC(=O)CCn1cc(C#N)c(=O)[n-]c1=O)[C@@H]1COCC12OCCO2 ZINC001142032208 1073515101 /nfs/dbraw/zinc/51/51/01/1073515101.db2.gz ZCRLJBSGZGEPTO-ZDUSSCGKSA-N -1 0 392.412 -0.257 20 30 GBEDRM [NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)[C@H]1CCCS1(=O)=O ZINC001143482891 1073110887 /nfs/dbraw/zinc/11/08/87/1073110887.db2.gz GJZYTLSYJCSVHM-BDAKNGLRSA-N -1 0 376.393 -0.894 20 30 GBEDRM [NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)[C@@H]1CCCS1(=O)=O ZINC001143482893 1073111856 /nfs/dbraw/zinc/11/18/56/1073111856.db2.gz GJZYTLSYJCSVHM-DTWKUNHWSA-N -1 0 376.393 -0.894 20 30 GBEDRM [NH3+]CCCN(C[C@H](S)OP(=O)([O-])[O-])C(=O)[C@@H]1CCCS1(=O)=O ZINC001143482894 1073112188 /nfs/dbraw/zinc/11/21/88/1073112188.db2.gz GJZYTLSYJCSVHM-IUCAKERBSA-N -1 0 376.393 -0.894 20 30 GBEDRM [NH3+]CCCN(C[C@@H](S)OP(=O)([O-])[O-])C(=O)[C@H]1CCCS1(=O)=O ZINC001143482895 1073111046 /nfs/dbraw/zinc/11/10/46/1073111046.db2.gz GJZYTLSYJCSVHM-RKDXNWHRSA-N -1 0 376.393 -0.894 20 30 GBEDRM CCn1c2ccccc2n(CC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)c1=O ZINC001167523421 1072303567 /nfs/dbraw/zinc/30/35/67/1072303567.db2.gz CWEAKLJWVMLRMI-UHFFFAOYSA-N -1 0 382.380 -0.227 20 30 GBEDRM N#Cc1cn(CCNC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)c(=O)[n-]c1=O ZINC001167523427 1072303488 /nfs/dbraw/zinc/30/34/88/1072303488.db2.gz DBCPYIVJAMVEMC-CYBMUJFWSA-N -1 0 388.428 -0.135 20 30 GBEDRM N#Cc1cn(CCNC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)c(=O)[n-]c1=O ZINC001167523428 1072303279 /nfs/dbraw/zinc/30/32/79/1072303279.db2.gz DBCPYIVJAMVEMC-ZDUSSCGKSA-N -1 0 388.428 -0.135 20 30 GBEDRM N#Cc1cn(CCNC(=O)CN2CCN(c3ccccn3)CC2)c(=O)[n-]c1=O ZINC001167523911 1072304335 /nfs/dbraw/zinc/30/43/35/1072304335.db2.gz XPLJUDFAXFGAON-UHFFFAOYSA-N -1 0 383.412 -0.846 20 30 GBEDRM N#Cc1cn(CCNC(=O)Cn2cccc(C(F)(F)F)c2=O)c(=O)[n-]c1=O ZINC001167523938 1072304353 /nfs/dbraw/zinc/30/43/53/1072304353.db2.gz YVFQKSZVVGAKKS-UHFFFAOYSA-N -1 0 383.286 -0.183 20 30 GBEDRM N#CCCCN1C[C@]2(CC1=O)COCCN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001270545547 1072975842 /nfs/dbraw/zinc/97/58/42/1072975842.db2.gz BFFQEKHBDCNUST-HNNXBMFYSA-N -1 0 379.446 -0.657 20 30 GBEDRM N#CCCCN1C[C@@]2(CC1=O)COCCN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001270545549 1072976042 /nfs/dbraw/zinc/97/60/42/1072976042.db2.gz BFFQEKHBDCNUST-OAHLLOKOSA-N -1 0 379.446 -0.657 20 30 GBEDRM N#CCCCN1C(=O)C[C@]2(CCCN(C(=O)Cn3nn[n-]c3=S)C2)C1=O ZINC001270546896 1072976656 /nfs/dbraw/zinc/97/66/56/1072976656.db2.gz OAMSZOVXQGKSCF-HNNXBMFYSA-N -1 0 377.430 -0.367 20 30 GBEDRM N#CCCCN1C(=O)C[C@@]2(CCCN(C(=O)Cn3nn[n-]c3=S)C2)C1=O ZINC001270546899 1072976782 /nfs/dbraw/zinc/97/67/82/1072976782.db2.gz OAMSZOVXQGKSCF-OAHLLOKOSA-N -1 0 377.430 -0.367 20 30 GBEDRM C=CCN1CC2(CN(C(=O)c3cc(S(=O)(=O)[O-])ccc3O)C2)OCC1=O ZINC001272069774 1073927015 /nfs/dbraw/zinc/92/70/15/1073927015.db2.gz AEEPYOMGFYVVES-UHFFFAOYSA-N -1 0 382.394 -0.122 20 30 GBEDRM N#Cc1ncc(N2CCC[C@H](N3CCCS3(=O)=O)C2)nc1-c1nnn[n-]1 ZINC001571116620 952475582 /nfs/dbraw/zinc/47/55/82/952475582.db2.gz AOCJAHWCHNXQIC-JTQLQIEISA-N -1 0 375.418 -0.467 20 30 GBEDRM N#Cc1ncc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)nc1-c1nnn[n-]1 ZINC001571116621 952475196 /nfs/dbraw/zinc/47/51/96/952475196.db2.gz AOCJAHWCHNXQIC-SNVBAGLBSA-N -1 0 375.418 -0.467 20 30 GBEDRM N#Cc1c[nH]c(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[nH]n3)C[C@H]2O)c1 ZINC001571140062 952623339 /nfs/dbraw/zinc/62/33/39/952623339.db2.gz OKKNCRMTNOSLNZ-GXTWGEPZSA-N -1 0 379.384 -0.169 20 30 GBEDRM N#Cc1c[nH]c(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[nH]n3)C[C@@H]2O)c1 ZINC001571140063 952623358 /nfs/dbraw/zinc/62/33/58/952623358.db2.gz OKKNCRMTNOSLNZ-JSGCOSHPSA-N -1 0 379.384 -0.169 20 30 GBEDRM N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[nH]n3)C[C@@H]2O)c1 ZINC001571140064 952623355 /nfs/dbraw/zinc/62/33/55/952623355.db2.gz OKKNCRMTNOSLNZ-OCCSQVGLSA-N -1 0 379.384 -0.169 20 30 GBEDRM N#Cc1c[nH]c(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[nH]n3)C[C@H]2O)c1 ZINC001571140065 952623247 /nfs/dbraw/zinc/62/32/47/952623247.db2.gz OKKNCRMTNOSLNZ-TZMCWYRMSA-N -1 0 379.384 -0.169 20 30 GBEDRM CN(CCc1cccc(C#N)c1)C(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001571152040 952680928 /nfs/dbraw/zinc/68/09/28/952680928.db2.gz BNHWCZDLEILCHV-UHFFFAOYSA-N -1 0 380.368 -0.298 20 30 GBEDRM N#CC[C@@H](C(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)c1ccccc1 ZINC001571152631 952683255 /nfs/dbraw/zinc/68/32/55/952683255.db2.gz IINOPTMHJBJWEJ-GFCCVEGCSA-N -1 0 380.368 -0.057 20 30 GBEDRM N#CC[C@H](C(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O)c1ccccc1 ZINC001571152632 952683278 /nfs/dbraw/zinc/68/32/78/952683278.db2.gz IINOPTMHJBJWEJ-LBPRGKRZSA-N -1 0 380.368 -0.057 20 30 GBEDRM N#Cc1c[nH]c(C(=O)N2CCO[C@H](CNc3ccnc(-c4nnn[n-]4)n3)C2)c1 ZINC001571152937 952684184 /nfs/dbraw/zinc/68/41/84/952684184.db2.gz LRNYGTTXZNOIJW-LLVKDONJSA-N -1 0 380.372 -0.769 20 30 GBEDRM N#Cc1c[nH]c(C(=O)N2CCO[C@@H](CNc3ccnc(-c4nnn[n-]4)n3)C2)c1 ZINC001571152938 952684146 /nfs/dbraw/zinc/68/41/46/952684146.db2.gz LRNYGTTXZNOIJW-NSHDSACASA-N -1 0 380.372 -0.769 20 30 GBEDRM CN(CCc1cccc(-c2nn[nH]n2)c1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001571153905 952688601 /nfs/dbraw/zinc/68/86/01/952688601.db2.gz VCJYSWRLVUDHRB-UHFFFAOYSA-N -1 0 380.368 -0.298 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)c3ccc(F)c(-c4nn[nH]n4)c3)C2)c(=O)[n-]c1=O ZINC001571194193 952959731 /nfs/dbraw/zinc/95/97/31/952959731.db2.gz IMYUZMBGRRBMQT-UHFFFAOYSA-N -1 0 382.315 -0.163 20 30 GBEDRM N#Cc1cc(C(=O)N2CC(n3cc(-c4nnn[n-]4)c(=O)[nH]c3=O)C2)ccc1F ZINC001571194614 952965416 /nfs/dbraw/zinc/96/54/16/952965416.db2.gz OYFPRTSIDSGCQN-UHFFFAOYSA-N -1 0 382.315 -0.163 20 30 GBEDRM C[C@H](C#N)C(=O)N1CC[C@@H](N2CCN(c3ccnc(-c4nnn[n-]4)n3)CC2)C1 ZINC001571205710 953041260 /nfs/dbraw/zinc/04/12/60/953041260.db2.gz KYHRCBVQAKRCMZ-CHWSQXEVSA-N -1 0 382.432 -0.461 20 30 GBEDRM C[C@H](C#N)C(=O)N1CC[C@H](N2CCN(c3ccnc(-c4nnn[n-]4)n3)CC2)C1 ZINC001571205717 953040859 /nfs/dbraw/zinc/04/08/59/953040859.db2.gz KYHRCBVQAKRCMZ-OLZOCXBDSA-N -1 0 382.432 -0.461 20 30 GBEDRM C[C@@H](C#N)C(=O)N1CC[C@@H](N2CCN(c3ccnc(-c4nnn[n-]4)n3)CC2)C1 ZINC001571205718 953041881 /nfs/dbraw/zinc/04/18/81/953041881.db2.gz KYHRCBVQAKRCMZ-QWHCGFSZSA-N -1 0 382.432 -0.461 20 30 GBEDRM C[C@@H](C#N)C(=O)N1CC[C@H](N2CCN(c3ccnc(-c4nnn[n-]4)n3)CC2)C1 ZINC001571205719 953041833 /nfs/dbraw/zinc/04/18/33/953041833.db2.gz KYHRCBVQAKRCMZ-STQMWFEESA-N -1 0 382.432 -0.461 20 30 GBEDRM COc1cc(C#N)ccc1Cn1c(=O)c(-c2nnn[n-]2)c(C)n(CCO)c1=O ZINC001571217972 953111990 /nfs/dbraw/zinc/11/19/90/953111990.db2.gz JSEDOACTXXVGLA-UHFFFAOYSA-N -1 0 383.368 -0.581 20 30 GBEDRM C=C(Cl)C[C@@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)C(=O)OCC ZINC001571234992 953207742 /nfs/dbraw/zinc/20/77/42/953207742.db2.gz PBDBCBZRPJMEIY-MRVPVSSYSA-N -1 0 383.796 -0.250 20 30 GBEDRM C=C(Cl)C[C@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)C(=O)OCC ZINC001571234993 953208040 /nfs/dbraw/zinc/20/80/40/953208040.db2.gz PBDBCBZRPJMEIY-QMMMGPOBSA-N -1 0 383.796 -0.250 20 30 GBEDRM N#Cc1nc(NC(=O)Cc2csc(N3CCOCC3)n2)[n-]c1-c1nn[nH]n1 ZINC001571268895 945608159 /nfs/dbraw/zinc/60/81/59/945608159.db2.gz YUCHPRXYJGQOAD-UHFFFAOYSA-N -1 0 386.401 -0.064 20 30 GBEDRM N#Cc1c(F)cc(C(=O)NCCn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)cc1F ZINC001571285679 945925934 /nfs/dbraw/zinc/92/59/34/945925934.db2.gz LPSFCHUZYLTJTB-UHFFFAOYSA-N -1 0 388.294 -0.291 20 30 GBEDRM N#Cc1cn(CCNC(=O)c2cc(F)c(-c3nn[nH]n3)c(F)c2)c(=O)[n-]c1=O ZINC001571286098 945936632 /nfs/dbraw/zinc/93/66/32/945936632.db2.gz XPOBFCAIZGEPAX-UHFFFAOYSA-N -1 0 388.294 -0.291 20 30 GBEDRM N#Cc1ncc(N2CCC(S(=O)(=O)N3CCCC3)CC2)nc1-c1nnn[n-]1 ZINC001571293824 946117796 /nfs/dbraw/zinc/11/77/96/946117796.db2.gz SRTLIHMSXQHYSS-UHFFFAOYSA-N -1 0 389.445 -0.077 20 30 GBEDRM C#CCN(C(=O)CNC(C)=O)C1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001573282939 946703072 /nfs/dbraw/zinc/70/30/72/946703072.db2.gz NUKJFLKFDVXEFO-UHFFFAOYSA-N -1 0 383.416 -0.777 20 30 GBEDRM C#CCCOc1ccc(C(=O)NCCn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)cc1 ZINC001573283412 946714993 /nfs/dbraw/zinc/71/49/93/946714993.db2.gz SUIZKZFDVHBXDK-UHFFFAOYSA-N -1 0 395.379 -0.039 20 30 GBEDRM C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1nccnc1-c1nnn[n-]1 ZINC001573285343 946776851 /nfs/dbraw/zinc/77/68/51/946776851.db2.gz GTHLJVIQEMNBNO-QPSCCSFWSA-N -1 0 393.455 -0.020 20 30 GBEDRM C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001573285398 946779112 /nfs/dbraw/zinc/77/91/12/946779112.db2.gz HEHMQZMTNUUNRF-IHRRRGAJSA-N -1 0 381.444 -0.517 20 30 GBEDRM C#CCNC(=O)c1ccccc1NC(=O)Cn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001573285507 946780226 /nfs/dbraw/zinc/78/02/26/946780226.db2.gz IMNPKHDUTOVITC-UHFFFAOYSA-N -1 0 394.351 -0.869 20 30 GBEDRM C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573285509 946781617 /nfs/dbraw/zinc/78/16/17/946781617.db2.gz IOEYZWMARQCLRZ-ZFWWWQNUSA-N -1 0 382.428 -0.377 20 30 GBEDRM C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001573286038 946793264 /nfs/dbraw/zinc/79/32/64/946793264.db2.gz RZSPHERWAAVMCL-ZNMIVQPWSA-N -1 0 395.471 -0.127 20 30 GBEDRM C#Cc1ccc(C(=O)NC[C@H]2CN(c3ccnc(-c4nnn[n-]4)n3)CCO2)cn1 ZINC001573286968 946823016 /nfs/dbraw/zinc/82/30/16/946823016.db2.gz DFFOSYGBWDLVAV-AWEZNQCLSA-N -1 0 391.395 -0.332 20 30 GBEDRM C#Cc1ccc(C(=O)NC[C@@H]2CN(c3ccnc(-c4nnn[n-]4)n3)CCO2)cn1 ZINC001573286976 946822789 /nfs/dbraw/zinc/82/27/89/946822789.db2.gz DFFOSYGBWDLVAV-CQSZACIVSA-N -1 0 391.395 -0.332 20 30 GBEDRM C#CCn1ccc(CN(CC)C(=O)Cn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)n1 ZINC001573287382 946834865 /nfs/dbraw/zinc/83/48/65/946834865.db2.gz BQLKJPOEJFXVCF-UHFFFAOYSA-N -1 0 383.372 -0.993 20 30 GBEDRM C#CCO[C@H](C)C(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nnn[n-]3)n1)C2 ZINC001573289010 946883032 /nfs/dbraw/zinc/88/30/32/946883032.db2.gz ZTFNRSJARDKPDL-AZTHMUBRSA-N -1 0 382.428 -0.044 20 30 GBEDRM C#CCO[C@@H](C)C(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nnn[n-]3)n1)C2 ZINC001573289015 946882140 /nfs/dbraw/zinc/88/21/40/946882140.db2.gz ZTFNRSJARDKPDL-CKNZGFSTSA-N -1 0 382.428 -0.044 20 30 GBEDRM C#Cc1ccc(C(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nnn[n-]3)n2)cc1 ZINC001573290587 946907739 /nfs/dbraw/zinc/90/77/39/946907739.db2.gz ZYDHAMCAWXQRGJ-AWEZNQCLSA-N -1 0 378.396 -0.395 20 30 GBEDRM C#Cc1ccc(C(=O)N(C)C[C@H](O)CNc2ccnc(-c3nnn[n-]3)n2)cc1 ZINC001573290588 946908426 /nfs/dbraw/zinc/90/84/26/946908426.db2.gz ZYDHAMCAWXQRGJ-CQSZACIVSA-N -1 0 378.396 -0.395 20 30 GBEDRM C=C(Br)CNC(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001573291267 946917216 /nfs/dbraw/zinc/91/72/16/946917216.db2.gz AQKLSVIDSSYVCB-UHFFFAOYSA-N -1 0 385.182 -0.663 20 30 GBEDRM C#Cc1cncc(C(=O)N[C@H]2CCN(c3ccnc(-c4nnn[n-]4)n3)C[C@@H]2O)c1 ZINC001573292703 946938082 /nfs/dbraw/zinc/93/80/82/946938082.db2.gz ZYWXRXGHOREHFX-KBPBESRZSA-N -1 0 391.395 -0.597 20 30 GBEDRM C#Cc1cncc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nnn[n-]4)n3)C[C@@H]2O)c1 ZINC001573292704 946937985 /nfs/dbraw/zinc/93/79/85/946937985.db2.gz ZYWXRXGHOREHFX-KGLIPLIRSA-N -1 0 391.395 -0.597 20 30 GBEDRM C#Cc1cncc(C(=O)N[C@H]2CCN(c3ccnc(-c4nnn[n-]4)n3)C[C@H]2O)c1 ZINC001573292705 946938188 /nfs/dbraw/zinc/93/81/88/946938188.db2.gz ZYWXRXGHOREHFX-UONOGXRCSA-N -1 0 391.395 -0.597 20 30 GBEDRM C#Cc1cncc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nnn[n-]4)n3)C[C@H]2O)c1 ZINC001573292706 946938096 /nfs/dbraw/zinc/93/80/96/946938096.db2.gz ZYWXRXGHOREHFX-ZIAGYGMSSA-N -1 0 391.395 -0.597 20 30 GBEDRM C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001573299986 947102052 /nfs/dbraw/zinc/10/20/52/947102052.db2.gz MRWMPXSLKJHWFM-AAEUAGOBSA-N -1 0 387.448 -0.144 20 30 GBEDRM C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001573299987 947102137 /nfs/dbraw/zinc/10/21/37/947102137.db2.gz MRWMPXSLKJHWFM-DGCLKSJQSA-N -1 0 387.448 -0.144 20 30 GBEDRM C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001573299989 947101850 /nfs/dbraw/zinc/10/18/50/947101850.db2.gz MRWMPXSLKJHWFM-WCQYABFASA-N -1 0 387.448 -0.144 20 30 GBEDRM C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001573299992 947102771 /nfs/dbraw/zinc/10/27/71/947102771.db2.gz MRWMPXSLKJHWFM-YPMHNXCESA-N -1 0 387.448 -0.144 20 30 GBEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001573300892 947124808 /nfs/dbraw/zinc/12/48/08/947124808.db2.gz WIEZCMIODQCFLO-GWCFXTLKSA-N -1 0 375.389 -0.384 20 30 GBEDRM C=C(C)[C@H]1OCC[C@H]1CNC(=O)CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001573300895 947123529 /nfs/dbraw/zinc/12/35/29/947123529.db2.gz WIEZCMIODQCFLO-GXFFZTMASA-N -1 0 375.389 -0.384 20 30 GBEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001573300897 947124688 /nfs/dbraw/zinc/12/46/88/947124688.db2.gz WIEZCMIODQCFLO-MFKMUULPSA-N -1 0 375.389 -0.384 20 30 GBEDRM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001573300899 947124188 /nfs/dbraw/zinc/12/41/88/947124188.db2.gz WIEZCMIODQCFLO-ZWNOBZJWSA-N -1 0 375.389 -0.384 20 30 GBEDRM C#CC[C@@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC001573302603 962657619 /nfs/dbraw/zinc/65/76/19/962657619.db2.gz ODWMAOVDUGJFKG-CYBMUJFWSA-N -1 0 381.410 -0.741 20 30 GBEDRM C#CC[C@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)[O-] ZINC001573302604 962657503 /nfs/dbraw/zinc/65/75/03/962657503.db2.gz ODWMAOVDUGJFKG-ZDUSSCGKSA-N -1 0 381.410 -0.741 20 30 GBEDRM C=C[C@](C)(O)CC(=O)N1CCCO[C@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001573309964 947213594 /nfs/dbraw/zinc/21/35/94/947213594.db2.gz QIWJVIHXZIWZMM-PXAZEXFGSA-N -1 0 388.432 -0.565 20 30 GBEDRM C=C[C@](C)(O)CC(=O)N1CCCO[C@@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001573309965 947213898 /nfs/dbraw/zinc/21/38/98/947213898.db2.gz QIWJVIHXZIWZMM-SJCJKPOMSA-N -1 0 388.432 -0.565 20 30 GBEDRM C=C[C@@](C)(O)CC(=O)N1CCCO[C@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001573309966 947213753 /nfs/dbraw/zinc/21/37/53/947213753.db2.gz QIWJVIHXZIWZMM-SJKOYZFVSA-N -1 0 388.432 -0.565 20 30 GBEDRM C=C[C@@](C)(O)CC(=O)N1CCCO[C@@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001573309967 947212936 /nfs/dbraw/zinc/21/29/36/947212936.db2.gz QIWJVIHXZIWZMM-YVEFUNNKSA-N -1 0 388.432 -0.565 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(C(=O)[O-])c(C)o2)CC1 ZINC001573310966 962692831 /nfs/dbraw/zinc/69/28/31/962692831.db2.gz FYDCAECQEHAAQV-UHFFFAOYSA-N -1 0 384.414 -0.419 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC001573310998 962693120 /nfs/dbraw/zinc/69/31/20/962693120.db2.gz GLXMNDDFDQGUMY-UHFFFAOYSA-N -1 0 381.410 -0.625 20 30 GBEDRM C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])cc1 ZINC001573311073 962695003 /nfs/dbraw/zinc/69/50/03/962695003.db2.gz HKIYHUPIMKGVJC-CYBMUJFWSA-N -1 0 382.394 -0.456 20 30 GBEDRM C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])cc1 ZINC001573311077 962695169 /nfs/dbraw/zinc/69/51/69/962695169.db2.gz HKIYHUPIMKGVJC-ZDUSSCGKSA-N -1 0 382.394 -0.456 20 30 GBEDRM C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])cc1 ZINC001573311217 962695418 /nfs/dbraw/zinc/69/54/18/962695418.db2.gz KAJNSMFOJPBHAC-CQSZACIVSA-N -1 0 376.394 -0.253 20 30 GBEDRM C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC001573311301 962699516 /nfs/dbraw/zinc/69/95/16/962699516.db2.gz LXFVXHYZLCZWDL-QWRGUYRKSA-N -1 0 381.410 -0.694 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC001573311317 962699163 /nfs/dbraw/zinc/69/91/63/962699163.db2.gz MLIXSSMIOFGYKW-UHFFFAOYSA-N -1 0 387.439 -0.841 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC001573311423 962700909 /nfs/dbraw/zinc/70/09/09/962700909.db2.gz POEOURSJGQLOIH-UHFFFAOYSA-N -1 0 391.427 -0.940 20 30 GBEDRM C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)cc1 ZINC001573311437 962703448 /nfs/dbraw/zinc/70/34/48/962703448.db2.gz QCMMZTGQPALYLK-AWEZNQCLSA-N -1 0 376.394 -0.113 20 30 GBEDRM C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)cc1 ZINC001573311438 962703286 /nfs/dbraw/zinc/70/32/86/962703286.db2.gz QCMMZTGQPALYLK-CQSZACIVSA-N -1 0 376.394 -0.113 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(C(=O)NCC2CCN(C(=O)[O-])CC2)CC1 ZINC001573311478 962703174 /nfs/dbraw/zinc/70/31/74/962703174.db2.gz RGZJMIVRCZKNEE-UHFFFAOYSA-N -1 0 387.462 -0.829 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(S(=O)(=O)CCCCCC(=O)[O-])CC1 ZINC001573311580 962707206 /nfs/dbraw/zinc/70/72/06/962707206.db2.gz UJYNWXQXXGSHAP-UHFFFAOYSA-N -1 0 381.476 -0.954 20 30 GBEDRM C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC2OCCO2)C(=O)[O-])c1 ZINC001573311584 962707663 /nfs/dbraw/zinc/70/76/63/962707663.db2.gz ULRYFZMJJABCDK-CYBMUJFWSA-N -1 0 382.394 -0.456 20 30 GBEDRM C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC2OCCO2)C(=O)[O-])c1 ZINC001573311586 962707861 /nfs/dbraw/zinc/70/78/61/962707861.db2.gz ULRYFZMJJABCDK-ZDUSSCGKSA-N -1 0 382.394 -0.456 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN([C@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CC1 ZINC001573311594 962707158 /nfs/dbraw/zinc/70/71/58/962707158.db2.gz UPCJEJFOCQEGJE-CYBMUJFWSA-N -1 0 396.469 -0.014 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN([C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CC1 ZINC001573311597 962707556 /nfs/dbraw/zinc/70/75/56/962707556.db2.gz UPCJEJFOCQEGJE-ZDUSSCGKSA-N -1 0 396.469 -0.014 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC001573311632 962708110 /nfs/dbraw/zinc/70/81/10/962708110.db2.gz UZEBWQRDFIUFED-UHFFFAOYSA-N -1 0 396.381 -0.482 20 30 GBEDRM C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C2)c1 ZINC001573311798 962713537 /nfs/dbraw/zinc/71/35/37/962713537.db2.gz YTDOTWSWEPFWNH-KBPBESRZSA-N -1 0 394.405 -0.456 20 30 GBEDRM C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C(=O)OC)[C@H](C(=O)[O-])C2)c1 ZINC001573311800 962713372 /nfs/dbraw/zinc/71/33/72/962713372.db2.gz YTDOTWSWEPFWNH-KGLIPLIRSA-N -1 0 394.405 -0.456 20 30 GBEDRM C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C(=O)[O-])[C@H](C(=O)OC)C2)c1 ZINC001573311801 962713970 /nfs/dbraw/zinc/71/39/70/962713970.db2.gz YTDOTWSWEPFWNH-UONOGXRCSA-N -1 0 394.405 -0.456 20 30 GBEDRM C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C2)c1 ZINC001573311802 962713653 /nfs/dbraw/zinc/71/36/53/962713653.db2.gz YTDOTWSWEPFWNH-ZIAGYGMSSA-N -1 0 394.405 -0.456 20 30 GBEDRM C#Cc1cccc(NC(=O)NC(=O)CN2CCS(=O)(=O)C[C@@H]2CC(=O)[O-])c1 ZINC001573313527 962731622 /nfs/dbraw/zinc/73/16/22/962731622.db2.gz KGJXAJRZGNPGIP-AWEZNQCLSA-N -1 0 393.421 -0.110 20 30 GBEDRM C#Cc1cccc(NC(=O)NC(=O)CN2CCS(=O)(=O)C[C@H]2CC(=O)[O-])c1 ZINC001573313530 962732212 /nfs/dbraw/zinc/73/22/12/962732212.db2.gz KGJXAJRZGNPGIP-CQSZACIVSA-N -1 0 393.421 -0.110 20 30 GBEDRM C#CCN(CC(=O)[O-])C(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 ZINC001573317467 958450066 /nfs/dbraw/zinc/45/00/66/958450066.db2.gz IMAXUBYUMPINOW-UHFFFAOYSA-N -1 0 393.465 -0.007 20 30 GBEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC001573317854 958456336 /nfs/dbraw/zinc/45/63/36/958456336.db2.gz NZCPTIQFCHOEFG-OCCSQVGLSA-N -1 0 384.385 -0.504 20 30 GBEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC001573318038 958459271 /nfs/dbraw/zinc/45/92/71/958459271.db2.gz RZMOMDFVWVRFSH-UHFFFAOYSA-N -1 0 382.398 -0.346 20 30 GBEDRM C#CCN(CC(=O)[O-])C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C ZINC001573318223 958462393 /nfs/dbraw/zinc/46/23/93/958462393.db2.gz SNLAAAPGAWDYDL-NSHDSACASA-N -1 0 376.431 -0.139 20 30 GBEDRM C#CCN(CC(=O)[O-])CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC001573320559 958478581 /nfs/dbraw/zinc/47/85/81/958478581.db2.gz MDJZNRFZFRSHFC-IBGZPJMESA-N -1 0 386.408 -0.019 20 30 GBEDRM C#CCN(CC(=O)[O-])CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC001573320579 958478678 /nfs/dbraw/zinc/47/86/78/958478678.db2.gz MDJZNRFZFRSHFC-LJQANCHMSA-N -1 0 386.408 -0.019 20 30 GBEDRM C=CCC1(C(=O)NC[C@H](CO)Nc2ccnc(-c3nnn[n-]3)n2)CCOCC1 ZINC001573326101 947367790 /nfs/dbraw/zinc/36/77/90/947367790.db2.gz KYAUNPGWBSBMSN-GFCCVEGCSA-N -1 0 388.432 -0.660 20 30 GBEDRM C=CCC1(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nnn[n-]3)n2)CCOCC1 ZINC001573326102 947367334 /nfs/dbraw/zinc/36/73/34/947367334.db2.gz KYAUNPGWBSBMSN-LBPRGKRZSA-N -1 0 388.432 -0.660 20 30 GBEDRM C#CCNS(=O)(=O)c1ccc(C(=O)N(CCC(=O)OC)CC(=O)[O-])cc1 ZINC001573327071 958485045 /nfs/dbraw/zinc/48/50/45/958485045.db2.gz CFSHYXSMCFYYND-UHFFFAOYSA-N -1 0 382.394 -0.312 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccccc2C(=O)[O-])CC1 ZINC001573327566 958491398 /nfs/dbraw/zinc/49/13/98/958491398.db2.gz RASOYJYHTBFVQR-UHFFFAOYSA-N -1 0 380.426 -0.320 20 30 GBEDRM C=C(CCC(=O)[O-])C(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001573333207 962853418 /nfs/dbraw/zinc/85/34/18/962853418.db2.gz YESHMYMIQUXGAL-GFCCVEGCSA-N -1 0 394.471 -0.932 20 30 GBEDRM C=C(CCC(=O)[O-])C(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001573333208 962853101 /nfs/dbraw/zinc/85/31/01/962853101.db2.gz YESHMYMIQUXGAL-LBPRGKRZSA-N -1 0 394.471 -0.932 20 30 GBEDRM C=CCCOCC(=O)NCCN1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001573336621 947508811 /nfs/dbraw/zinc/50/88/11/947508811.db2.gz PRIGOMKRSHVLND-UHFFFAOYSA-N -1 0 387.448 -0.512 20 30 GBEDRM CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)c1 ZINC001573340215 958535042 /nfs/dbraw/zinc/53/50/42/958535042.db2.gz MXFFOPTYGVGRJU-UHFFFAOYSA-N -1 0 378.406 -0.147 20 30 GBEDRM C=CCCn1cc(C(=O)N2CCN(c3ccnc(-c4nnn[n-]4)n3)CC2)nn1 ZINC001573341145 947527661 /nfs/dbraw/zinc/52/76/61/947527661.db2.gz IVJQUEWSMNXHLL-UHFFFAOYSA-N -1 0 381.404 -0.213 20 30 GBEDRM C=CCCn1cc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nnn[n-]4)n3)C2)nn1 ZINC001573341277 947527991 /nfs/dbraw/zinc/52/79/91/947527991.db2.gz KEMBOHGECYSUAJ-XYPYZODXSA-N -1 0 381.404 -0.381 20 30 GBEDRM C=CCCn1cc(C(=O)N[C@H](C)CCNc2ccnc(-c3nnn[n-]3)n2)nn1 ZINC001573341724 947534014 /nfs/dbraw/zinc/53/40/14/947534014.db2.gz PHQXCJXALBWKCD-LLVKDONJSA-N -1 0 383.420 -0.133 20 30 GBEDRM C=CCCn1cc(C(=O)N[C@@H](C)CCNc2ccnc(-c3nnn[n-]3)n2)nn1 ZINC001573341725 947532816 /nfs/dbraw/zinc/53/28/16/947532816.db2.gz PHQXCJXALBWKCD-NSHDSACASA-N -1 0 383.420 -0.133 20 30 GBEDRM C=CCCn1cc(C(=O)N(CC)CCNc2ccnc(-c3nnn[n-]3)n2)nn1 ZINC001573342080 947539197 /nfs/dbraw/zinc/53/91/97/947539197.db2.gz SSOIFICMTAKTOL-UHFFFAOYSA-N -1 0 383.420 -0.180 20 30 GBEDRM C=CCOCC(=O)NCCCN1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 ZINC001573343649 947562914 /nfs/dbraw/zinc/56/29/14/947562914.db2.gz RPHRYXNAJDYXHL-UHFFFAOYSA-N -1 0 387.448 -0.512 20 30 GBEDRM C=CCOCCCC(=O)N1CCO[C@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001573347314 947571888 /nfs/dbraw/zinc/57/18/88/947571888.db2.gz BTEPCLMSYKEECC-CYBMUJFWSA-N -1 0 388.432 -0.299 20 30 GBEDRM C=CCOCCCC(=O)N1CCO[C@@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001573347315 947572064 /nfs/dbraw/zinc/57/20/64/947572064.db2.gz BTEPCLMSYKEECC-ZDUSSCGKSA-N -1 0 388.432 -0.299 20 30 GBEDRM C=CCn1cc(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nnn[n-]3)n2)nn1 ZINC001573348192 947580555 /nfs/dbraw/zinc/58/05/55/947580555.db2.gz NVKNKBGODZAASM-LLVKDONJSA-N -1 0 381.404 -0.427 20 30 GBEDRM C=CCn1cc(C(=O)N2CCC[C@H]2CNc2ccnc(-c3nnn[n-]3)n2)nn1 ZINC001573348195 947582068 /nfs/dbraw/zinc/58/20/68/947582068.db2.gz NVKNKBGODZAASM-NSHDSACASA-N -1 0 381.404 -0.427 20 30 GBEDRM CC(=O)NCCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@H](C)C(=O)[O-] ZINC001573349600 958561850 /nfs/dbraw/zinc/56/18/50/958561850.db2.gz TVPXWHLBBPJHIM-GFCCVEGCSA-N -1 0 395.437 -0.089 20 30 GBEDRM CC(=O)NCCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H](C)C(=O)[O-] ZINC001573349601 958562255 /nfs/dbraw/zinc/56/22/55/958562255.db2.gz TVPXWHLBBPJHIM-LBPRGKRZSA-N -1 0 395.437 -0.089 20 30 GBEDRM C=CCn1cc(C(=O)N2C[C@@H](CNc3ccnc(-c4nnn[n-]4)n3)[C@H](C)C2)nn1 ZINC001573350725 947601108 /nfs/dbraw/zinc/60/11/08/947601108.db2.gz JGNYMZLNRJXZBB-VXGBXAGGSA-N -1 0 395.431 -0.324 20 30 GBEDRM C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nnn[n-]4)n3)C2)nn1 ZINC001573351233 947610345 /nfs/dbraw/zinc/61/03/45/947610345.db2.gz OPXIOSRDYKJUGY-GHMZBOCLSA-N -1 0 381.404 -0.571 20 30 GBEDRM C=CCn1cc(C(=O)NC[C@@H]2CN(c3ccnc(-c4nnn[n-]4)n3)C[C@H]2C)nn1 ZINC001573351317 947612264 /nfs/dbraw/zinc/61/22/64/947612264.db2.gz QMVMWIPIRIIQSM-VXGBXAGGSA-N -1 0 395.431 -0.064 20 30 GBEDRM C=CCn1cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nnn[n-]4)n3)[C@@H]2C)nn1 ZINC001573351563 947616262 /nfs/dbraw/zinc/61/62/62/947616262.db2.gz SDDZPQQWUPUZNA-MNOVXSKESA-N -1 0 381.404 -0.169 20 30 GBEDRM C=CCn1cc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nnn[n-]3)n2)nn1 ZINC001573351866 947622095 /nfs/dbraw/zinc/62/20/95/947622095.db2.gz WNMJILCYKJQNCD-QWRGUYRKSA-N -1 0 379.388 -0.463 20 30 GBEDRM C=CCn1cc(C(=O)N2CCC[C@H](Nc3ccnc(-c4nnn[n-]4)n3)C2)nn1 ZINC001573352087 947625304 /nfs/dbraw/zinc/62/53/04/947625304.db2.gz ZMVCJJMTATYSLT-NSHDSACASA-N -1 0 381.404 -0.427 20 30 GBEDRM C[C@](C#N)(CC(=O)[O-])C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 ZINC001573359962 958590325 /nfs/dbraw/zinc/59/03/25/958590325.db2.gz OASRQQCOOLJZCT-GFCCVEGCSA-N -1 0 380.448 -0.892 20 30 GBEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 ZINC001573359965 958590270 /nfs/dbraw/zinc/59/02/70/958590270.db2.gz OASRQQCOOLJZCT-LBPRGKRZSA-N -1 0 380.448 -0.892 20 30 GBEDRM C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])cc1 ZINC001573367834 963069669 /nfs/dbraw/zinc/06/96/69/963069669.db2.gz BOWGBOYGXWNMNZ-CYBMUJFWSA-N -1 0 379.398 -0.374 20 30 GBEDRM C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])cc1 ZINC001573367835 963070186 /nfs/dbraw/zinc/07/01/86/963070186.db2.gz BOWGBOYGXWNMNZ-ZDUSSCGKSA-N -1 0 379.398 -0.374 20 30 GBEDRM C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[O-])CC1 ZINC001573367873 963071446 /nfs/dbraw/zinc/07/14/46/963071446.db2.gz DAVBRTDCPULPAR-UHFFFAOYSA-N -1 0 391.432 -0.384 20 30 GBEDRM C=CCNS(=O)(=O)c1cc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])ccc1F ZINC001573368031 963073453 /nfs/dbraw/zinc/07/34/53/963073453.db2.gz GYHMUKOFPGSXAU-GFCCVEGCSA-N -1 0 399.400 -0.343 20 30 GBEDRM C=CCNS(=O)(=O)c1cc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])ccc1F ZINC001573368032 963073722 /nfs/dbraw/zinc/07/37/22/963073722.db2.gz GYHMUKOFPGSXAU-LBPRGKRZSA-N -1 0 399.400 -0.343 20 30 GBEDRM C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[O-])CC1 ZINC001573368226 963076910 /nfs/dbraw/zinc/07/69/10/963076910.db2.gz KGOTUKVAYFPGCE-LLVKDONJSA-N -1 0 377.405 -0.669 20 30 GBEDRM C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[O-])CC1 ZINC001573368227 963076037 /nfs/dbraw/zinc/07/60/37/963076037.db2.gz KGOTUKVAYFPGCE-NSHDSACASA-N -1 0 377.405 -0.669 20 30 GBEDRM C=CCOC[C@@H](NC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC001573368625 963083538 /nfs/dbraw/zinc/08/35/38/963083538.db2.gz IAXLDXLVUDYCKS-NEPJUHHUSA-N -1 0 385.417 -0.164 20 30 GBEDRM C=CCOC[C@H](NC(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC001573368626 963083118 /nfs/dbraw/zinc/08/31/18/963083118.db2.gz IAXLDXLVUDYCKS-NWDGAFQWSA-N -1 0 385.417 -0.164 20 30 GBEDRM C=CCOC[C@H](NC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC001573368627 963082725 /nfs/dbraw/zinc/08/27/25/963082725.db2.gz IAXLDXLVUDYCKS-RYUDHWBXSA-N -1 0 385.417 -0.164 20 30 GBEDRM C=CCOC[C@@H](NC(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC001573368628 963083132 /nfs/dbraw/zinc/08/31/32/963083132.db2.gz IAXLDXLVUDYCKS-VXGBXAGGSA-N -1 0 385.417 -0.164 20 30 GBEDRM C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC001573369037 963091073 /nfs/dbraw/zinc/09/10/73/963091073.db2.gz VVURWTAUQPKEST-QWRGUYRKSA-N -1 0 383.426 -0.142 20 30 GBEDRM C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001573369303 963093614 /nfs/dbraw/zinc/09/36/14/963093614.db2.gz XSODGLAIFJVKFL-NEPJUHHUSA-N -1 0 397.457 -0.607 20 30 GBEDRM C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001573369304 963094061 /nfs/dbraw/zinc/09/40/61/963094061.db2.gz XSODGLAIFJVKFL-NWDGAFQWSA-N -1 0 397.457 -0.607 20 30 GBEDRM C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001573369305 963094500 /nfs/dbraw/zinc/09/45/00/963094500.db2.gz XSODGLAIFJVKFL-RYUDHWBXSA-N -1 0 397.457 -0.607 20 30 GBEDRM C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)[O-])C1 ZINC001573369306 963094050 /nfs/dbraw/zinc/09/40/50/963094050.db2.gz XSODGLAIFJVKFL-VXGBXAGGSA-N -1 0 397.457 -0.607 20 30 GBEDRM CC(C)N(CC(F)(F)F)C(=O)Cn1c(=O)c(C#N)cn(CC(=O)[O-])c1=O ZINC001573546338 959208483 /nfs/dbraw/zinc/20/84/83/959208483.db2.gz UXKAMZNTAHHKLJ-UHFFFAOYSA-N -1 0 376.291 -0.234 20 30 GBEDRM C[C@H](C(=O)N1CCCC1)N1CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CC1 ZINC001573627468 947723712 /nfs/dbraw/zinc/72/37/12/947723712.db2.gz BWEUVGAIRJPPHL-GFCCVEGCSA-N -1 0 382.432 -0.339 20 30 GBEDRM C[C@@H](C(=O)N1CCCC1)N1CCN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CC1 ZINC001573627469 947725087 /nfs/dbraw/zinc/72/50/87/947725087.db2.gz BWEUVGAIRJPPHL-LBPRGKRZSA-N -1 0 382.432 -0.339 20 30 GBEDRM CC(C)(C)C#CC(=O)NCCN1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001573792524 949249190 /nfs/dbraw/zinc/24/91/90/949249190.db2.gz AIJVTGLWDGRNSR-UHFFFAOYSA-N -1 0 383.460 -0.056 20 30 GBEDRM COC[C@]1(C(=O)[O-])CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC001574131531 962539794 /nfs/dbraw/zinc/53/97/94/962539794.db2.gz MHIHRFLVAZWNKE-INIZCTEOSA-N -1 0 381.410 -0.325 20 30 GBEDRM COC[C@@]1(C(=O)[O-])CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC001574131532 962539151 /nfs/dbraw/zinc/53/91/51/962539151.db2.gz MHIHRFLVAZWNKE-MRXNPFEDSA-N -1 0 381.410 -0.325 20 30 GBEDRM COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001574153880 962673787 /nfs/dbraw/zinc/67/37/87/962673787.db2.gz ZCXWVSLUKHXEIU-GFCCVEGCSA-N -1 0 376.435 -0.851 20 30 GBEDRM COCCN(CCC#N)S(=O)(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001574153881 962674510 /nfs/dbraw/zinc/67/45/10/962674510.db2.gz ZCXWVSLUKHXEIU-LBPRGKRZSA-N -1 0 376.435 -0.851 20 30 GBEDRM N#Cc1ccc(N2CCN(C(=O)NCCOCCOCC(=O)[O-])CC2)cn1 ZINC001574487749 961690736 /nfs/dbraw/zinc/69/07/36/961690736.db2.gz GALIJGSAOXDRKM-UHFFFAOYSA-N -1 0 377.401 -0.097 20 30 GBEDRM N#Cc1ccc(N2CCN(C(=O)NCCOCCOCC(=O)[O-])CC2)nc1 ZINC001574487781 961690357 /nfs/dbraw/zinc/69/03/57/961690357.db2.gz HMVWFJYGOVTOHU-UHFFFAOYSA-N -1 0 377.401 -0.097 20 30 GBEDRM N#Cc1ccc(N2CCN(C(=O)C3(C(=O)[O-])CCS(=O)(=O)CC3)CC2)nc1 ZINC001574488557 961697826 /nfs/dbraw/zinc/69/78/26/961697826.db2.gz SBLPSYIVXIOIQV-UHFFFAOYSA-N -1 0 392.437 -0.119 20 30 GBEDRM N#Cc1ccc(N2C[C@@H](C(=O)N3CCS(=O)(=O)C[C@@H]3C(=O)[O-])CC2=O)cc1 ZINC001574489043 961701218 /nfs/dbraw/zinc/70/12/18/961701218.db2.gz XPGKFGAQTJSWGT-GXTWGEPZSA-N -1 0 391.405 -0.379 20 30 GBEDRM N#Cc1ccc(N2C[C@@H](C(=O)N3CCS(=O)(=O)C[C@H]3C(=O)[O-])CC2=O)cc1 ZINC001574489044 961701076 /nfs/dbraw/zinc/70/10/76/961701076.db2.gz XPGKFGAQTJSWGT-JSGCOSHPSA-N -1 0 391.405 -0.379 20 30 GBEDRM N#Cc1ccc(N2C[C@H](C(=O)N3CCS(=O)(=O)C[C@H]3C(=O)[O-])CC2=O)cc1 ZINC001574489045 961701458 /nfs/dbraw/zinc/70/14/58/961701458.db2.gz XPGKFGAQTJSWGT-OCCSQVGLSA-N -1 0 391.405 -0.379 20 30 GBEDRM N#Cc1ccc(N2C[C@H](C(=O)N3CCS(=O)(=O)C[C@@H]3C(=O)[O-])CC2=O)cc1 ZINC001574489047 961701374 /nfs/dbraw/zinc/70/13/74/961701374.db2.gz XPGKFGAQTJSWGT-TZMCWYRMSA-N -1 0 391.405 -0.379 20 30 GBEDRM N#Cc1cccc(S(=O)(=O)NCC(=O)NCC2(C(=O)[O-])CCOCC2)c1 ZINC001574489824 961709396 /nfs/dbraw/zinc/70/93/96/961709396.db2.gz QVNXHCRUCAKNIP-UHFFFAOYSA-N -1 0 381.410 -0.166 20 30 GBEDRM C#C[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])cc1 ZINC001588369836 983317941 /nfs/dbraw/zinc/31/79/41/983317941.db2.gz YJABYGUULGFPIL-LLVKDONJSA-N -1 0 385.423 -0.415 20 30 GBEDRM C#C[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])cc1 ZINC001588369837 983318200 /nfs/dbraw/zinc/31/82/00/983318200.db2.gz YJABYGUULGFPIL-NSHDSACASA-N -1 0 385.423 -0.415 20 30 GBEDRM C#C[C@H](NC(=O)C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1)[C@@H]1CCCO1 ZINC001588370655 983320718 /nfs/dbraw/zinc/32/07/18/983320718.db2.gz JTUJGUVNNUIOKF-DYEKYZERSA-N -1 0 375.385 -0.563 20 30 GBEDRM C#C[C@H](NC(=O)C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1)[C@H]1CCCO1 ZINC001588370656 983321088 /nfs/dbraw/zinc/32/10/88/983321088.db2.gz JTUJGUVNNUIOKF-MBNYWOFBSA-N -1 0 375.385 -0.563 20 30 GBEDRM C#C[C@H](NC(=O)C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1)[C@@H]1CCCO1 ZINC001588370657 983320784 /nfs/dbraw/zinc/32/07/84/983320784.db2.gz JTUJGUVNNUIOKF-OBJOEFQTSA-N -1 0 375.385 -0.563 20 30 GBEDRM C#C[C@H](NC(=O)C(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1)[C@H]1CCCO1 ZINC001588370658 983321196 /nfs/dbraw/zinc/32/11/96/983321196.db2.gz JTUJGUVNNUIOKF-SGMGOOAPSA-N -1 0 375.385 -0.563 20 30 GBEDRM C#CC1(O)CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)[O-])CC2)C1 ZINC001588379287 983363488 /nfs/dbraw/zinc/36/34/88/983363488.db2.gz BPHXLLSWUYOOQX-UHFFFAOYSA-N -1 0 392.433 -0.008 20 30 GBEDRM C#C[C@@H]1COCCN1C(=O)C(=O)N1CCN(c2ccc(C(=O)[O-])s2)CC1 ZINC001588383470 983381386 /nfs/dbraw/zinc/38/13/86/983381386.db2.gz AQIWWIBBKCOTQV-GFCCVEGCSA-N -1 0 377.422 -0.045 20 30 GBEDRM C#C[C@H]1COCCN1C(=O)C(=O)N1CCN(c2ccc(C(=O)[O-])s2)CC1 ZINC001588383471 983381559 /nfs/dbraw/zinc/38/15/59/983381559.db2.gz AQIWWIBBKCOTQV-LBPRGKRZSA-N -1 0 377.422 -0.045 20 30 GBEDRM C#CC[C@H](COC)NC(=O)C(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC001588393872 983400256 /nfs/dbraw/zinc/40/02/56/983400256.db2.gz LANRMRHHWVSMHN-LLVKDONJSA-N -1 0 382.394 -0.119 20 30 GBEDRM C#CC[C@@H](COC)NC(=O)C(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC001588393874 983400246 /nfs/dbraw/zinc/40/02/46/983400246.db2.gz LANRMRHHWVSMHN-NSHDSACASA-N -1 0 382.394 -0.119 20 30 GBEDRM C#CCN(C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001588396771 958053472 /nfs/dbraw/zinc/05/34/72/958053472.db2.gz ZQJKOIOYIZSBRR-CHWSQXEVSA-N -1 0 385.442 -0.716 20 30 GBEDRM C#CCN(C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001588396775 958052809 /nfs/dbraw/zinc/05/28/09/958052809.db2.gz ZQJKOIOYIZSBRR-OLZOCXBDSA-N -1 0 385.442 -0.716 20 30 GBEDRM C#CCN(C(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O)[C@H]1CCS(=O)(=O)C1 ZINC001588396777 958053359 /nfs/dbraw/zinc/05/33/59/958053359.db2.gz ZQJKOIOYIZSBRR-QWHCGFSZSA-N -1 0 385.442 -0.716 20 30 GBEDRM C#CCN(C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O)[C@H]1CCS(=O)(=O)C1 ZINC001588396782 958052774 /nfs/dbraw/zinc/05/27/74/958052774.db2.gz ZQJKOIOYIZSBRR-STQMWFEESA-N -1 0 385.442 -0.716 20 30 GBEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001588399389 958073141 /nfs/dbraw/zinc/07/31/41/958073141.db2.gz JTGINHWUABNETJ-BFHYXJOUSA-N -1 0 384.454 -0.358 20 30 GBEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001588399390 958073165 /nfs/dbraw/zinc/07/31/65/958073165.db2.gz JTGINHWUABNETJ-HZSPNIEDSA-N -1 0 384.454 -0.358 20 30 GBEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001588399391 958072575 /nfs/dbraw/zinc/07/25/75/958072575.db2.gz JTGINHWUABNETJ-MELADBBJSA-N -1 0 384.454 -0.358 20 30 GBEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001588399392 958073333 /nfs/dbraw/zinc/07/33/33/958073333.db2.gz JTGINHWUABNETJ-MGPQQGTHSA-N -1 0 384.454 -0.358 20 30 GBEDRM C#CCN(CC(=O)[O-])C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC001588402014 958087340 /nfs/dbraw/zinc/08/73/40/958087340.db2.gz JAZWXZCWLGFHGU-UHFFFAOYSA-N -1 0 382.394 -0.327 20 30 GBEDRM C#CCN(CC(=O)[O-])C(=O)CNS(=O)(=O)c1ccc(C(=O)OCC)cc1 ZINC001588402143 958089304 /nfs/dbraw/zinc/08/93/04/958089304.db2.gz MGAXYARPKVMKKA-UHFFFAOYSA-N -1 0 382.394 -0.312 20 30 GBEDRM C#CCN(CC(=O)[O-])C(=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC001588402255 958090677 /nfs/dbraw/zinc/09/06/77/958090677.db2.gz OYXDKANMQGNIKR-UHFFFAOYSA-N -1 0 384.410 -0.081 20 30 GBEDRM C#CCN(CC(=O)[O-])C(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC001588402275 958089702 /nfs/dbraw/zinc/08/97/02/958089702.db2.gz PLKNCRUDTDUPDJ-UHFFFAOYSA-N -1 0 387.439 -0.791 20 30 GBEDRM C#CCN(CC(=O)[O-])C(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC001588402311 958090571 /nfs/dbraw/zinc/09/05/71/958090571.db2.gz QXKCZIXMCNNYEV-UHFFFAOYSA-N -1 0 381.410 -0.188 20 30 GBEDRM C#CCN(CC(=O)[O-])C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC001588402643 958093258 /nfs/dbraw/zinc/09/32/58/958093258.db2.gz ZBBZKBSTABKVNK-GFCCVEGCSA-N -1 0 388.442 -0.043 20 30 GBEDRM C#CCN(CC(=O)[O-])C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O ZINC001588402644 958093454 /nfs/dbraw/zinc/09/34/54/958093454.db2.gz ZBBZKBSTABKVNK-LBPRGKRZSA-N -1 0 388.442 -0.043 20 30 GBEDRM C#CC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1)C(=O)[O-] ZINC001588404351 983417428 /nfs/dbraw/zinc/41/74/28/983417428.db2.gz AHJYJEJJCLMEHB-LLVKDONJSA-N -1 0 387.439 -0.745 20 30 GBEDRM C#CC[C@H](NC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1)C(=O)[O-] ZINC001588404353 983417565 /nfs/dbraw/zinc/41/75/65/983417565.db2.gz AHJYJEJJCLMEHB-NSHDSACASA-N -1 0 387.439 -0.745 20 30 GBEDRM C#CC[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001588405320 983420944 /nfs/dbraw/zinc/42/09/44/983420944.db2.gz GBHJZLZMYDKBHE-DGAVXFQQSA-N -1 0 384.454 -0.311 20 30 GBEDRM C#CC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001588405323 983420984 /nfs/dbraw/zinc/42/09/84/983420984.db2.gz GBHJZLZMYDKBHE-FQUUOJAGSA-N -1 0 384.454 -0.311 20 30 GBEDRM C#CC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001588405325 983420774 /nfs/dbraw/zinc/42/07/74/983420774.db2.gz GBHJZLZMYDKBHE-RQJABVFESA-N -1 0 384.454 -0.311 20 30 GBEDRM C#CC[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[O-] ZINC001588405328 983420840 /nfs/dbraw/zinc/42/08/40/983420840.db2.gz GBHJZLZMYDKBHE-SYQHCUMBSA-N -1 0 384.454 -0.311 20 30 GBEDRM C#CC[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)[O-] ZINC001588405372 983421249 /nfs/dbraw/zinc/42/12/49/983421249.db2.gz MOLPHEAWBFLSII-INIZCTEOSA-N -1 0 393.465 -0.106 20 30 GBEDRM C#CC[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(=O)[O-] ZINC001588405380 983421222 /nfs/dbraw/zinc/42/12/22/983421222.db2.gz MOLPHEAWBFLSII-MRXNPFEDSA-N -1 0 393.465 -0.106 20 30 GBEDRM C#CC[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1)C(=O)[O-] ZINC001588405726 983422602 /nfs/dbraw/zinc/42/26/02/983422602.db2.gz SMDJSRHHSFIQIQ-GFCCVEGCSA-N -1 0 384.410 -0.035 20 30 GBEDRM C#CC[C@H](NC(=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1)C(=O)[O-] ZINC001588405727 983422697 /nfs/dbraw/zinc/42/26/97/983422697.db2.gz SMDJSRHHSFIQIQ-LBPRGKRZSA-N -1 0 384.410 -0.035 20 30 GBEDRM C#CC[C@@H](NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C(=O)[O-] ZINC001588407509 983428425 /nfs/dbraw/zinc/42/84/25/983428425.db2.gz JEXUJVSFULAVRU-SSDOTTSWSA-N -1 0 382.174 -0.515 20 30 GBEDRM C#CC[C@H](NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)C(=O)[O-] ZINC001588407510 983428279 /nfs/dbraw/zinc/42/82/79/983428279.db2.gz JEXUJVSFULAVRU-ZETCQYMHSA-N -1 0 382.174 -0.515 20 30 GBEDRM C#CCN(CC(=O)[O-])C(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC001588407592 958101623 /nfs/dbraw/zinc/10/16/23/958101623.db2.gz RKRPVSCVQADXJP-UHFFFAOYSA-N -1 0 382.174 -0.561 20 30 GBEDRM C#CC[C@@H](NC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O)C(=O)[O-] ZINC001588407957 983429891 /nfs/dbraw/zinc/42/98/91/983429891.db2.gz SFAZXVHSGCOLOT-CYBMUJFWSA-N -1 0 383.426 -0.529 20 30 GBEDRM C#CC[C@H](NC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O)C(=O)[O-] ZINC001588407960 983429774 /nfs/dbraw/zinc/42/97/74/983429774.db2.gz SFAZXVHSGCOLOT-ZDUSSCGKSA-N -1 0 383.426 -0.529 20 30 GBEDRM C#CC[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C(=O)[O-] ZINC001588407992 983429749 /nfs/dbraw/zinc/42/97/49/983429749.db2.gz UHZRBSDEFYPXNO-GFCCVEGCSA-N -1 0 386.451 -0.096 20 30 GBEDRM C#CC[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C(=O)[O-] ZINC001588407993 983429899 /nfs/dbraw/zinc/42/98/99/983429899.db2.gz UHZRBSDEFYPXNO-LBPRGKRZSA-N -1 0 386.451 -0.096 20 30 GBEDRM C#CCN(CC(=O)[O-])C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC001588408542 958113498 /nfs/dbraw/zinc/11/34/98/958113498.db2.gz RFBPGNVGFSDHOR-UHFFFAOYSA-N -1 0 375.353 -0.028 20 30 GBEDRM C#CCN(CC(=O)[O-])C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC001588408777 958118148 /nfs/dbraw/zinc/11/81/48/958118148.db2.gz DONMRDCAADIWCO-UHFFFAOYSA-N -1 0 383.426 -0.471 20 30 GBEDRM C#CCN(CC(=O)[O-])C(=O)NC1CN(S(=O)(=O)c2ccc(OC)cc2)C1 ZINC001588409882 958132293 /nfs/dbraw/zinc/13/22/93/958132293.db2.gz MADVJHALOYAJBC-UHFFFAOYSA-N -1 0 381.410 -0.203 20 30 GBEDRM C#CCN(CC(=O)[O-])C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 ZINC001588410507 958140338 /nfs/dbraw/zinc/14/03/38/958140338.db2.gz WJHFMJBDQDSQET-BGMSHATGSA-N -1 0 386.426 -0.385 20 30 GBEDRM C#CCN(CC(=O)[O-])C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 ZINC001588410509 958141043 /nfs/dbraw/zinc/14/10/43/958141043.db2.gz WJHFMJBDQDSQET-BWBHSNQOSA-N -1 0 386.426 -0.385 20 30 GBEDRM C#CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)C(=O)[O-] ZINC001588413566 983431436 /nfs/dbraw/zinc/43/14/36/983431436.db2.gz BGKPWDXEEVFGLJ-CYBMUJFWSA-N -1 0 381.410 -0.623 20 30 GBEDRM C#CC[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)C(=O)[O-] ZINC001588413567 983431372 /nfs/dbraw/zinc/43/13/72/983431372.db2.gz BGKPWDXEEVFGLJ-ZDUSSCGKSA-N -1 0 381.410 -0.623 20 30 GBEDRM C#CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)C(=O)[O-] ZINC001588413622 983431446 /nfs/dbraw/zinc/43/14/46/983431446.db2.gz DEXLHVNXDKIHOY-AWEZNQCLSA-N -1 0 396.421 -0.078 20 30 GBEDRM C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)C(=O)[O-] ZINC001588413623 983431487 /nfs/dbraw/zinc/43/14/87/983431487.db2.gz DEXLHVNXDKIHOY-CQSZACIVSA-N -1 0 396.421 -0.078 20 30 GBEDRM C#CCN(CC(=O)[O-])C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC001588416112 958161569 /nfs/dbraw/zinc/16/15/69/958161569.db2.gz GNLGSEKOJCPIGZ-UHFFFAOYSA-N -1 0 396.421 -0.124 20 30 GBEDRM C#CCN(CC(=O)[O-])C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC001588416932 958167653 /nfs/dbraw/zinc/16/76/53/958167653.db2.gz XCNYKBWHCACPGX-UHFFFAOYSA-N -1 0 387.801 -0.736 20 30 GBEDRM C#CCN(CC(=O)[O-])C(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O ZINC001588419089 958190938 /nfs/dbraw/zinc/19/09/38/958190938.db2.gz QFOYNPSSDUBMJD-UHFFFAOYSA-N -1 0 387.435 -0.335 20 30 GBEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 ZINC001588419096 958190795 /nfs/dbraw/zinc/19/07/95/958190795.db2.gz QNABSHKUHSDVLD-UHFFFAOYSA-N -1 0 380.422 -0.008 20 30 GBEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O ZINC001588419122 958192627 /nfs/dbraw/zinc/19/26/27/958192627.db2.gz RXUYTUSCNFGAKX-UHFFFAOYSA-N -1 0 380.378 -0.363 20 30 GBEDRM C#CCN(CC(=O)[O-])CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001588420159 958200480 /nfs/dbraw/zinc/20/04/80/958200480.db2.gz OBZCIYKKZBDRFU-UHFFFAOYSA-N -1 0 395.437 -0.334 20 30 GBEDRM C#CCN(CC(=O)[O-])CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC001588420316 958202879 /nfs/dbraw/zinc/20/28/79/958202879.db2.gz VSALZWBENOMUOA-UHFFFAOYSA-N -1 0 397.428 -0.322 20 30 GBEDRM C#CCN(CC(=O)[O-])S(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O ZINC001588425484 958225605 /nfs/dbraw/zinc/22/56/05/958225605.db2.gz USHOKGPRWPNTHE-UHFFFAOYSA-N -1 0 394.405 -0.351 20 30 GBEDRM C#CCN1CCN(C(=O)CN2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)CC1 ZINC001588430004 958251506 /nfs/dbraw/zinc/25/15/06/958251506.db2.gz FUNIJURWVKAAMA-HNNXBMFYSA-N -1 0 376.457 -0.839 20 30 GBEDRM C#CCN1CCN(C(=O)CN2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)CC1 ZINC001588430009 958251169 /nfs/dbraw/zinc/25/11/69/958251169.db2.gz FUNIJURWVKAAMA-OAHLLOKOSA-N -1 0 376.457 -0.839 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)CC1 ZINC001588430765 958260468 /nfs/dbraw/zinc/26/04/68/958260468.db2.gz GMFKTFCKPSUYDY-UHFFFAOYSA-N -1 0 398.445 -0.680 20 30 GBEDRM C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])cc1 ZINC001588430964 958264117 /nfs/dbraw/zinc/26/41/17/958264117.db2.gz IQKONBAEHDHZNZ-ZDUSSCGKSA-N -1 0 382.394 -0.266 20 30 GBEDRM C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CCC(=O)OC)C(=O)[O-])c1 ZINC001588431066 958264648 /nfs/dbraw/zinc/26/46/48/958264648.db2.gz KJLUUTOKPPJUNK-ZDUSSCGKSA-N -1 0 382.394 -0.266 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(CC(=O)[O-])c2)CC1 ZINC001588431630 958272047 /nfs/dbraw/zinc/27/20/47/958272047.db2.gz RIKUDUVNRWAUII-UHFFFAOYSA-N -1 0 380.426 -0.069 20 30 GBEDRM C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)c1 ZINC001588431794 958274379 /nfs/dbraw/zinc/27/43/79/958274379.db2.gz XVGDTTGTQHFPSQ-AWEZNQCLSA-N -1 0 376.394 -0.113 20 30 GBEDRM C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)c1 ZINC001588431795 958273778 /nfs/dbraw/zinc/27/37/78/958273778.db2.gz XVGDTTGTQHFPSQ-CQSZACIVSA-N -1 0 376.394 -0.113 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(C(=O)C2(C(=O)[O-])CCSCC2)CC1 ZINC001588431812 958273966 /nfs/dbraw/zinc/27/39/66/958273966.db2.gz YAIIQIIDBQMNLF-UHFFFAOYSA-N -1 0 375.472 -0.804 20 30 GBEDRM C#Cc1cccc(NC(=O)NC(=O)CN2CCS(=O)(=O)C[C@@H]2C(=O)[O-])c1 ZINC001588439959 964032612 /nfs/dbraw/zinc/03/26/12/964032612.db2.gz WUBYIJRKPVUFAY-CYBMUJFWSA-N -1 0 379.394 -0.500 20 30 GBEDRM C#Cc1cccc(NC(=O)NC(=O)CN2CCS(=O)(=O)C[C@H]2C(=O)[O-])c1 ZINC001588439967 964033793 /nfs/dbraw/zinc/03/37/93/964033793.db2.gz WUBYIJRKPVUFAY-ZDUSSCGKSA-N -1 0 379.394 -0.500 20 30 GBEDRM C#CCCNS(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])cc1 ZINC001588453620 983476583 /nfs/dbraw/zinc/47/65/83/983476583.db2.gz HYTOBBOQLKBPPD-UHFFFAOYSA-N -1 0 385.423 -0.413 20 30 GBEDRM C#CCN(C(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC001588460325 983488164 /nfs/dbraw/zinc/48/81/64/983488164.db2.gz YJCGLXVVGSHDFC-AWEZNQCLSA-N -1 0 378.406 -0.099 20 30 GBEDRM C#CCN(C(=O)C(=O)Nc1ccc(CC(=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC001588460326 983488127 /nfs/dbraw/zinc/48/81/27/983488127.db2.gz YJCGLXVVGSHDFC-CQSZACIVSA-N -1 0 378.406 -0.099 20 30 GBEDRM C#CCN(C(=O)[C@H]1C[C@H]1C(=O)OC)C1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001588461264 983489464 /nfs/dbraw/zinc/48/94/64/983489464.db2.gz JNCIISGTLQTYPH-CBBWQLFWSA-N -1 0 376.409 -0.031 20 30 GBEDRM C#CCN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)OC)CC1 ZINC001588461295 983489588 /nfs/dbraw/zinc/48/95/88/983489588.db2.gz KXGUCVBMYAKELV-YJNKXOJESA-N -1 0 376.409 -0.031 20 30 GBEDRM C#CCN(C)C(=O)C(=O)N1C[C@H](C(=O)[O-])C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001588461746 983491381 /nfs/dbraw/zinc/49/13/81/983491381.db2.gz ZRVZIPZICVGLBU-GFCCVEGCSA-N -1 0 379.413 -0.142 20 30 GBEDRM C#CCN(C)C(=O)C(=O)N1C[C@@H](C(=O)[O-])C2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001588461748 983491448 /nfs/dbraw/zinc/49/14/48/983491448.db2.gz ZRVZIPZICVGLBU-LBPRGKRZSA-N -1 0 379.413 -0.142 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)C1=O ZINC001588463917 958486777 /nfs/dbraw/zinc/48/67/77/958486777.db2.gz BFXCZWIIFXAOHJ-GCULGPDHSA-N -1 0 379.369 -0.508 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)C1=O ZINC001588463927 958486833 /nfs/dbraw/zinc/48/68/33/958486833.db2.gz BFXCZWIIFXAOHJ-VVHFOWEKSA-N -1 0 379.369 -0.508 20 30 GBEDRM C=CCN1C(=O)c2ccc(C(=O)N3CCS(=O)(=O)C[C@@H]3C(=O)[O-])cc2C1=O ZINC001588464540 958493439 /nfs/dbraw/zinc/49/34/39/958493439.db2.gz ZIXOEXNXHJNBMN-CYBMUJFWSA-N -1 0 392.389 -0.208 20 30 GBEDRM C=CCN1C(=O)c2ccc(C(=O)N3CCS(=O)(=O)C[C@H]3C(=O)[O-])cc2C1=O ZINC001588464541 958493111 /nfs/dbraw/zinc/49/31/11/958493111.db2.gz ZIXOEXNXHJNBMN-ZDUSSCGKSA-N -1 0 392.389 -0.208 20 30 GBEDRM C#CCN(CC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)[O-])C(=O)OC(C)(C)C ZINC001588466195 983499052 /nfs/dbraw/zinc/49/90/52/983499052.db2.gz ZGGYZJOJOOKXDF-GFCCVEGCSA-N -1 0 388.442 -0.043 20 30 GBEDRM C#CCN(CC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)[O-])C(=O)OC(C)(C)C ZINC001588466196 983499137 /nfs/dbraw/zinc/49/91/37/983499137.db2.gz ZGGYZJOJOOKXDF-LBPRGKRZSA-N -1 0 388.442 -0.043 20 30 GBEDRM C#CCNC(=O)C1CCN(C(=O)C(=O)NCc2cc(C(=O)[O-])c(C)o2)CC1 ZINC001588479558 983520709 /nfs/dbraw/zinc/52/07/09/983520709.db2.gz TWSMCOCRCMTCQV-UHFFFAOYSA-N -1 0 375.381 -0.110 20 30 GBEDRM C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)CC1 ZINC001588483565 983521269 /nfs/dbraw/zinc/52/12/69/983521269.db2.gz AXMJGVLNFWOVIO-UHFFFAOYSA-N -1 0 394.453 -0.466 20 30 GBEDRM C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc(CC(=O)[O-])c2)CC1 ZINC001588483756 983521783 /nfs/dbraw/zinc/52/17/83/983521783.db2.gz GXVHUJFBPXVSNR-UHFFFAOYSA-N -1 0 393.465 -0.241 20 30 GBEDRM C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)CC1 ZINC001588483767 983521776 /nfs/dbraw/zinc/52/17/76/983521776.db2.gz HTUQPWRZVCHUJZ-UHFFFAOYSA-N -1 0 397.428 -0.112 20 30 GBEDRM C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccnc2C(=O)[O-])CC1 ZINC001588483791 983522431 /nfs/dbraw/zinc/52/24/31/983522431.db2.gz JAVHEPJFWUXSKD-UHFFFAOYSA-N -1 0 380.426 -0.774 20 30 GBEDRM C#CCNC(=O)CN1CCCN(S(=O)(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC001588483957 983522631 /nfs/dbraw/zinc/52/26/31/983522631.db2.gz NJQLTYLAMWMRBP-CABCVRRESA-N -1 0 385.486 -0.283 20 30 GBEDRM C#CCNC(=O)CN1CCCN(S(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC001588483958 983522924 /nfs/dbraw/zinc/52/29/24/983522924.db2.gz NJQLTYLAMWMRBP-GJZGRUSLSA-N -1 0 385.486 -0.283 20 30 GBEDRM C#CCNC(=O)CN1CCCN(S(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC001588483959 983522640 /nfs/dbraw/zinc/52/26/40/983522640.db2.gz NJQLTYLAMWMRBP-HUUCEWRRSA-N -1 0 385.486 -0.283 20 30 GBEDRM C#CCNC(=O)CN1CCCN(S(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC001588483960 983522771 /nfs/dbraw/zinc/52/27/71/983522771.db2.gz NJQLTYLAMWMRBP-LSDHHAIUSA-N -1 0 385.486 -0.283 20 30 GBEDRM C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(OC)ccc2C(=O)[O-])CC1 ZINC001588484080 983522793 /nfs/dbraw/zinc/52/27/93/983522793.db2.gz PDXUGUSCUYJKIK-UHFFFAOYSA-N -1 0 395.437 -0.551 20 30 GBEDRM C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(C)csc2C(=O)[O-])CC1 ZINC001588484102 983522701 /nfs/dbraw/zinc/52/27/01/983522701.db2.gz QCJZMGUGRMRGJL-UHFFFAOYSA-N -1 0 385.467 -0.190 20 30 GBEDRM C#CCNC(=O)CN1CCCN(S(=O)(=O)C2CCC(C(=O)[O-])CC2)CC1 ZINC001588484216 983523290 /nfs/dbraw/zinc/52/32/90/983523290.db2.gz UWNPMQGFHYFWOR-UHFFFAOYSA-N -1 0 385.486 -0.283 20 30 GBEDRM C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(=O)[O-])ccn2)CC1 ZINC001588484230 983523275 /nfs/dbraw/zinc/52/32/75/983523275.db2.gz WCLRNIPNHLBTRQ-UHFFFAOYSA-N -1 0 380.426 -0.774 20 30 GBEDRM C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)CC1 ZINC001588484268 983523660 /nfs/dbraw/zinc/52/36/60/983523660.db2.gz XYCLUSSIRNRJTI-UHFFFAOYSA-N -1 0 389.817 -0.313 20 30 GBEDRM C#CCNC(=O)CN1CCN(S(=O)(=O)CC2(C(=O)[O-])CCCCC2)CC1 ZINC001588484286 983523536 /nfs/dbraw/zinc/52/35/36/983523536.db2.gz ZEDHAKMIVTUUHS-UHFFFAOYSA-N -1 0 385.486 -0.282 20 30 GBEDRM C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2OC)CC1 ZINC001588484291 983523620 /nfs/dbraw/zinc/52/36/20/983523620.db2.gz ZYSXRYWYNDEWLF-UHFFFAOYSA-N -1 0 395.437 -0.551 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnc(C)c(C(=O)[O-])c2)CC1 ZINC001588485098 983523658 /nfs/dbraw/zinc/52/36/58/983523658.db2.gz AWRGGDUAJHNVNZ-UHFFFAOYSA-N -1 0 381.414 -0.295 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccccc2CC(=O)[O-])CC1 ZINC001588485127 983524101 /nfs/dbraw/zinc/52/41/01/983524101.db2.gz CXNYGDWVERRVCH-UHFFFAOYSA-N -1 0 394.453 -0.392 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(CC(=O)[O-])n2)CC1 ZINC001588485154 983524013 /nfs/dbraw/zinc/52/40/13/983524013.db2.gz DYLZQIXSZNBKOU-UHFFFAOYSA-N -1 0 381.414 -0.674 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(C(=O)CCc2ccccc2C(=O)[O-])CC1 ZINC001588485158 983524064 /nfs/dbraw/zinc/52/40/64/983524064.db2.gz FGJXCNMADLQQMA-UHFFFAOYSA-N -1 0 379.438 -0.071 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C(=O)[O-])s2)CC1 ZINC001588485216 983524628 /nfs/dbraw/zinc/52/46/28/983524628.db2.gz IYOFHZXKEBYZJF-UHFFFAOYSA-N -1 0 386.455 -0.259 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)CC1 ZINC001588485239 983524382 /nfs/dbraw/zinc/52/43/82/983524382.db2.gz JQBHLYDQBVHBFC-UHFFFAOYSA-N -1 0 379.438 -0.071 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(CC(=O)[O-])cc2)CC1 ZINC001588485411 983524950 /nfs/dbraw/zinc/52/49/50/983524950.db2.gz NOJSQLBHHQALIQ-UHFFFAOYSA-N -1 0 380.426 -0.069 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])oc2C)CC1 ZINC001588485939 983526561 /nfs/dbraw/zinc/52/65/61/983526561.db2.gz CDPYOIAQEROMGY-UHFFFAOYSA-N -1 0 391.427 -0.940 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C(=O)[O-])CC1 ZINC001588486247 983526945 /nfs/dbraw/zinc/52/69/45/983526945.db2.gz OGSLSRJXOPERBX-UHFFFAOYSA-N -1 0 387.439 -0.841 20 30 GBEDRM C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC001588486253 983526954 /nfs/dbraw/zinc/52/69/54/983526954.db2.gz OOIJEFMGZVHJJE-HNNXBMFYSA-N -1 0 396.421 -0.020 20 30 GBEDRM C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])c1 ZINC001588486290 983527245 /nfs/dbraw/zinc/52/72/45/983527245.db2.gz RCKJNPGSIMCVBO-AWEZNQCLSA-N -1 0 393.421 -0.597 20 30 GBEDRM C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])c1 ZINC001588486292 983527195 /nfs/dbraw/zinc/52/71/95/983527195.db2.gz RCKJNPGSIMCVBO-CQSZACIVSA-N -1 0 393.421 -0.597 20 30 GBEDRM C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccn(C)n2)cc1 ZINC001588486311 983527358 /nfs/dbraw/zinc/52/73/58/983527358.db2.gz SEEUMPAUYFJJRS-AWEZNQCLSA-N -1 0 376.394 -0.113 20 30 GBEDRM C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccn(C)n2)cc1 ZINC001588486312 983527377 /nfs/dbraw/zinc/52/73/77/983527377.db2.gz SEEUMPAUYFJJRS-CQSZACIVSA-N -1 0 376.394 -0.113 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(Cc2nc3cc(C(=O)[O-])ccc3[nH]2)CC1 ZINC001588486336 983527105 /nfs/dbraw/zinc/52/71/05/983527105.db2.gz UIJDMHWCLKCUON-UHFFFAOYSA-N -1 0 377.426 -0.154 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001588486433 983527586 /nfs/dbraw/zinc/52/75/86/983527586.db2.gz ZAIQDPOTNMLHOH-UHFFFAOYSA-N -1 0 382.398 -0.189 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])s2)CC1 ZINC001588486439 983527628 /nfs/dbraw/zinc/52/76/28/983527628.db2.gz ZHVBIZUZXBHMPA-UHFFFAOYSA-N -1 0 393.468 -0.780 20 30 GBEDRM C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])n1 ZINC001588510230 983554715 /nfs/dbraw/zinc/55/47/15/983554715.db2.gz AVFPJYRFFNAEFZ-STQMWFEESA-N -1 0 379.417 -0.348 20 30 GBEDRM C=C[C@@H](C(=O)[O-])N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC001588669259 983809726 /nfs/dbraw/zinc/80/97/26/983809726.db2.gz HOZZUGALDQABPX-HNNXBMFYSA-N -1 0 396.469 -0.136 20 30 GBEDRM C=C[C@H](C(=O)[O-])N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC001588669260 983809561 /nfs/dbraw/zinc/80/95/61/983809561.db2.gz HOZZUGALDQABPX-OAHLLOKOSA-N -1 0 396.469 -0.136 20 30 GBEDRM C=C[C@H](C(=O)[O-])N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001588670029 983817103 /nfs/dbraw/zinc/81/71/03/983817103.db2.gz UJNWVVFDRLMHHG-CYBMUJFWSA-N -1 0 389.455 -0.721 20 30 GBEDRM C=C[C@@H](C(=O)[O-])N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001588670030 983817680 /nfs/dbraw/zinc/81/76/80/983817680.db2.gz UJNWVVFDRLMHHG-ZDUSSCGKSA-N -1 0 389.455 -0.721 20 30 GBEDRM C=C[C@@H](COC)NC(=O)C(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001588693317 983892505 /nfs/dbraw/zinc/89/25/05/983892505.db2.gz WIGIANCGUYDUQR-GXSJLCMTSA-N -1 0 381.410 -0.015 20 30 GBEDRM C=C[C@H](COC)NC(=O)C(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001588693318 983892572 /nfs/dbraw/zinc/89/25/72/983892572.db2.gz WIGIANCGUYDUQR-KOLCDFICSA-N -1 0 381.410 -0.015 20 30 GBEDRM C=C[C@H](COC)NC(=O)C(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001588693319 983893002 /nfs/dbraw/zinc/89/30/02/983893002.db2.gz WIGIANCGUYDUQR-MWLCHTKSSA-N -1 0 381.410 -0.015 20 30 GBEDRM C=C[C@@H](COC)NC(=O)C(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001588693320 983892762 /nfs/dbraw/zinc/89/27/62/983892762.db2.gz WIGIANCGUYDUQR-ONGXEEELSA-N -1 0 381.410 -0.015 20 30 GBEDRM CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)N[C@@H]2CCCN(O)C2=O)C1 ZINC001588693970 960746568 /nfs/dbraw/zinc/74/65/68/960746568.db2.gz LZDDEFHCISPSNU-HWPZZCPQSA-N -1 0 387.389 -0.427 20 30 GBEDRM CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)N[C@H]2CCCN(O)C2=O)C1 ZINC001588693971 960747140 /nfs/dbraw/zinc/74/71/40/960747140.db2.gz LZDDEFHCISPSNU-MGPLVRAMSA-N -1 0 387.389 -0.427 20 30 GBEDRM CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)N[C@H]2CCCN(O)C2=O)C1 ZINC001588693972 960746400 /nfs/dbraw/zinc/74/64/00/960746400.db2.gz LZDDEFHCISPSNU-QFYYESIMSA-N -1 0 387.389 -0.427 20 30 GBEDRM CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)N[C@@H]2CCCN(O)C2=O)C1 ZINC001588693973 960746365 /nfs/dbraw/zinc/74/63/65/960746365.db2.gz LZDDEFHCISPSNU-QLJPJBMISA-N -1 0 387.389 -0.427 20 30 GBEDRM C=CCCSCCNC(=O)C(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001588814575 984271292 /nfs/dbraw/zinc/27/12/92/984271292.db2.gz FKAQMJJWSGUXSG-KRWDZBQOSA-N -1 0 385.486 -0.200 20 30 GBEDRM C=CCCSCCNC(=O)C(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001588814576 984271541 /nfs/dbraw/zinc/27/15/41/984271541.db2.gz FKAQMJJWSGUXSG-QGZVFWFLSA-N -1 0 385.486 -0.200 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(C(=O)[O-])c(OC)c2)C1=O ZINC001588832100 984319232 /nfs/dbraw/zinc/31/92/32/984319232.db2.gz AVGLGJMNIMLPRN-UHFFFAOYSA-N -1 0 375.337 -0.014 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)N[C@@]2(C(=O)[O-])C[C@@H](OCC)C2(C)C)C1=O ZINC001588832107 984319449 /nfs/dbraw/zinc/31/94/49/984319449.db2.gz BIWSCUNTGHWWGZ-BMLIUANNSA-N -1 0 381.385 -0.262 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)N[C@]2(C(=O)[O-])C[C@H](OCC)C2(C)C)C1=O ZINC001588832108 984319201 /nfs/dbraw/zinc/31/92/01/984319201.db2.gz BIWSCUNTGHWWGZ-BTDLBPIBSA-N -1 0 381.385 -0.262 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)N[C@@]2(C(=O)[O-])C[C@H](OCC)C2(C)C)C1=O ZINC001588832109 984319357 /nfs/dbraw/zinc/31/93/57/984319357.db2.gz BIWSCUNTGHWWGZ-DYZYQPBXSA-N -1 0 381.385 -0.262 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)N[C@]2(C(=O)[O-])C[C@@H](OCC)C2(C)C)C1=O ZINC001588832110 984319237 /nfs/dbraw/zinc/31/92/37/984319237.db2.gz BIWSCUNTGHWWGZ-QGHHPUGFSA-N -1 0 381.385 -0.262 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CCC(=O)[O-])C(=O)OC(C)(C)C)C1=O ZINC001588832154 984319344 /nfs/dbraw/zinc/31/93/44/984319344.db2.gz DBYJSIPZYGJFDV-JTQLQIEISA-N -1 0 397.384 -0.346 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)N(CCC(=O)[O-])CC(=O)OC(C)(C)C)C1=O ZINC001588832161 984319224 /nfs/dbraw/zinc/31/92/24/984319224.db2.gz DTBRIUFEYVSZHU-UHFFFAOYSA-N -1 0 397.384 -0.392 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])C1=O ZINC001588832225 984319943 /nfs/dbraw/zinc/31/99/43/984319943.db2.gz IJKQCNIQQDZKND-LBPRGKRZSA-N -1 0 377.328 -0.086 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)NCc2c(C)nn(CC(=O)[O-])c2C)C1=O ZINC001588832236 984320879 /nfs/dbraw/zinc/32/08/79/984320879.db2.gz JBCCGEXHHRATQO-UHFFFAOYSA-N -1 0 377.357 -0.822 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)C1=O ZINC001588832273 984320560 /nfs/dbraw/zinc/32/05/60/984320560.db2.gz KNYBXKYLFGSNDJ-GOSISDBHSA-N -1 0 393.396 -0.428 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@](O)(C3(C(=O)[O-])CCC3)C2)C1=O ZINC001588832274 984320460 /nfs/dbraw/zinc/32/04/60/984320460.db2.gz KNYBXKYLFGSNDJ-SFHVURJKSA-N -1 0 393.396 -0.428 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(n3cc(C(=O)[O-])nn3)CC2)C1=O ZINC001588832459 984323020 /nfs/dbraw/zinc/32/30/20/984323020.db2.gz OUCIWIQLHCMMBS-UHFFFAOYSA-N -1 0 390.356 -0.883 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C(=O)[O-])Oc3cc(F)ccc32)C1=O ZINC001588832534 984323758 /nfs/dbraw/zinc/32/37/58/984323758.db2.gz RFJNDXWWABLERX-GFCCVEGCSA-N -1 0 391.311 -0.019 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C(=O)[O-])Oc3cc(F)ccc32)C1=O ZINC001588832535 984323764 /nfs/dbraw/zinc/32/37/64/984323764.db2.gz RFJNDXWWABLERX-LBPRGKRZSA-N -1 0 391.311 -0.019 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001588832722 984324988 /nfs/dbraw/zinc/32/49/88/984324988.db2.gz WMZJDCSKKARZCS-JTQLQIEISA-N -1 0 390.356 -0.883 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001588832725 984325129 /nfs/dbraw/zinc/32/51/29/984325129.db2.gz WMZJDCSKKARZCS-SNVBAGLBSA-N -1 0 390.356 -0.883 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(=O)[O-])c2cccc(OC)c2)C1=O ZINC001588832756 984326139 /nfs/dbraw/zinc/32/61/39/984326139.db2.gz XHYRCFIZGRNLCT-ZDUSSCGKSA-N -1 0 375.337 -0.086 20 30 GBEDRM C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)C1=O ZINC001588837135 984332622 /nfs/dbraw/zinc/33/26/22/984332622.db2.gz RANXVLQOVLPGTM-VEVIJQCQSA-N -1 0 379.413 -0.819 20 30 GBEDRM C=CCN1CC[C@H](N(C)C(=O)C(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)C1=O ZINC001588837136 984332579 /nfs/dbraw/zinc/33/25/79/984332579.db2.gz RANXVLQOVLPGTM-ZJNRKIDTSA-N -1 0 379.413 -0.819 20 30 GBEDRM C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])cc1 ZINC001588843640 984353728 /nfs/dbraw/zinc/35/37/28/984353728.db2.gz CKQSDHBDJHTLTK-KBPBESRZSA-N -1 0 375.381 -0.023 20 30 GBEDRM C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])cc1 ZINC001588843641 984353740 /nfs/dbraw/zinc/35/37/40/984353740.db2.gz CKQSDHBDJHTLTK-KGLIPLIRSA-N -1 0 375.381 -0.023 20 30 GBEDRM C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])cc1 ZINC001588843642 984353653 /nfs/dbraw/zinc/35/36/53/984353653.db2.gz CKQSDHBDJHTLTK-UONOGXRCSA-N -1 0 375.381 -0.023 20 30 GBEDRM C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])cc1 ZINC001588843643 984353811 /nfs/dbraw/zinc/35/38/11/984353811.db2.gz CKQSDHBDJHTLTK-ZIAGYGMSSA-N -1 0 375.381 -0.023 20 30 GBEDRM C=CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)cc1 ZINC001588843865 984354309 /nfs/dbraw/zinc/35/43/09/984354309.db2.gz JXPYQZIWSAHDAN-GXTWGEPZSA-N -1 0 375.381 -0.165 20 30 GBEDRM C=CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)[O-])C2)cc1 ZINC001588843866 984354400 /nfs/dbraw/zinc/35/44/00/984354400.db2.gz JXPYQZIWSAHDAN-JSGCOSHPSA-N -1 0 375.381 -0.165 20 30 GBEDRM C=CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@H](C(=O)[O-])C[C@H](O)C2)cc1 ZINC001588843867 984354582 /nfs/dbraw/zinc/35/45/82/984354582.db2.gz JXPYQZIWSAHDAN-OCCSQVGLSA-N -1 0 375.381 -0.165 20 30 GBEDRM C=CCNC(=O)c1ccc(NC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)[O-])C2)cc1 ZINC001588843868 984354634 /nfs/dbraw/zinc/35/46/34/984354634.db2.gz JXPYQZIWSAHDAN-TZMCWYRMSA-N -1 0 375.381 -0.165 20 30 GBEDRM C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC001588844307 984356581 /nfs/dbraw/zinc/35/65/81/984356581.db2.gz GVSOKEPSUKPKJS-UHFFFAOYSA-N -1 0 397.453 -0.242 20 30 GBEDRM C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCC(=O)[O-])c1 ZINC001588845430 984362768 /nfs/dbraw/zinc/36/27/68/984362768.db2.gz NXPGHSHNEOAEJF-AWEZNQCLSA-N -1 0 395.437 -0.044 20 30 GBEDRM C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC(=O)[O-])c1 ZINC001588845431 984362471 /nfs/dbraw/zinc/36/24/71/984362471.db2.gz NXPGHSHNEOAEJF-CQSZACIVSA-N -1 0 395.437 -0.044 20 30 GBEDRM C=CCNC(=O)c1cccc(S(=O)(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])c1 ZINC001588845493 984363385 /nfs/dbraw/zinc/36/33/85/984363385.db2.gz RIIFTAXOZWHCLT-CYBMUJFWSA-N -1 0 381.410 -0.482 20 30 GBEDRM C=CCNC(=O)c1cccc(S(=O)(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])c1 ZINC001588845494 984363085 /nfs/dbraw/zinc/36/30/85/984363085.db2.gz RIIFTAXOZWHCLT-ZDUSSCGKSA-N -1 0 381.410 -0.482 20 30 GBEDRM C=CCNS(=O)(=O)c1ccc(CC(=O)N(CC(=O)[O-])CC(=O)OC)s1 ZINC001588847513 984364765 /nfs/dbraw/zinc/36/47/65/984364765.db2.gz BONMSTUAITWWCU-UHFFFAOYSA-N -1 0 390.439 -0.159 20 30 GBEDRM C=CCNS(=O)(=O)c1cccc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)[O-])c1 ZINC001588847570 984365701 /nfs/dbraw/zinc/36/57/01/984365701.db2.gz FNDUEGXDIMOOFX-CYBMUJFWSA-N -1 0 381.410 -0.482 20 30 GBEDRM C=CCNS(=O)(=O)c1cccc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)[O-])c1 ZINC001588847571 984365632 /nfs/dbraw/zinc/36/56/32/984365632.db2.gz FNDUEGXDIMOOFX-ZDUSSCGKSA-N -1 0 381.410 -0.482 20 30 GBEDRM C=CCNS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC001588847694 984365697 /nfs/dbraw/zinc/36/56/97/984365697.db2.gz HAKZJNPGVLHCDH-CYBMUJFWSA-N -1 0 381.410 -0.434 20 30 GBEDRM C=CCNS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC001588847696 984365222 /nfs/dbraw/zinc/36/52/22/984365222.db2.gz HAKZJNPGVLHCDH-ZDUSSCGKSA-N -1 0 381.410 -0.434 20 30 GBEDRM C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(=O)NCC(=O)[O-])s1 ZINC001588847940 984367859 /nfs/dbraw/zinc/36/78/59/984367859.db2.gz VBHKBEGXMHDQHJ-UHFFFAOYSA-N -1 0 375.428 -0.928 20 30 GBEDRM C=CCOC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-] ZINC001588850739 984379735 /nfs/dbraw/zinc/37/97/35/984379735.db2.gz BIISAKZKHFJQMZ-BXUZGUMPSA-N -1 0 381.410 -0.003 20 30 GBEDRM C=CCOC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-] ZINC001588850740 984380010 /nfs/dbraw/zinc/38/00/10/984380010.db2.gz BIISAKZKHFJQMZ-FZMZJTMJSA-N -1 0 381.410 -0.003 20 30 GBEDRM C=CCOC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-] ZINC001588850741 984379890 /nfs/dbraw/zinc/37/98/90/984379890.db2.gz BIISAKZKHFJQMZ-RISCZKNCSA-N -1 0 381.410 -0.003 20 30 GBEDRM C=CCOC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)[O-] ZINC001588850742 984380051 /nfs/dbraw/zinc/38/00/51/984380051.db2.gz BIISAKZKHFJQMZ-SMDDNHRTSA-N -1 0 381.410 -0.003 20 30 GBEDRM C=CCOC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-] ZINC001588850961 984381712 /nfs/dbraw/zinc/38/17/12/984381712.db2.gz MCNQALGJEFGJSY-BXUZGUMPSA-N -1 0 381.410 -0.003 20 30 GBEDRM C=CCOC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-] ZINC001588850962 984381802 /nfs/dbraw/zinc/38/18/02/984381802.db2.gz MCNQALGJEFGJSY-FZMZJTMJSA-N -1 0 381.410 -0.003 20 30 GBEDRM C=CCOC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-] ZINC001588850963 984382058 /nfs/dbraw/zinc/38/20/58/984382058.db2.gz MCNQALGJEFGJSY-RISCZKNCSA-N -1 0 381.410 -0.003 20 30 GBEDRM C=CCOC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-] ZINC001588850964 984381881 /nfs/dbraw/zinc/38/18/81/984381881.db2.gz MCNQALGJEFGJSY-SMDDNHRTSA-N -1 0 381.410 -0.003 20 30 GBEDRM C=CCOC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)[O-] ZINC001588851131 984382991 /nfs/dbraw/zinc/38/29/91/984382991.db2.gz VYDIKVBXAYPZGV-CMPLNLGQSA-N -1 0 388.446 -0.524 20 30 GBEDRM C=CCOC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)[O-] ZINC001588851132 984382913 /nfs/dbraw/zinc/38/29/13/984382913.db2.gz VYDIKVBXAYPZGV-JQWIXIFHSA-N -1 0 388.446 -0.524 20 30 GBEDRM C=CCOC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)[O-] ZINC001588851133 984383205 /nfs/dbraw/zinc/38/32/05/984383205.db2.gz VYDIKVBXAYPZGV-PWSUYJOCSA-N -1 0 388.446 -0.524 20 30 GBEDRM C=CCOC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)[O-] ZINC001588851134 984383279 /nfs/dbraw/zinc/38/32/79/984383279.db2.gz VYDIKVBXAYPZGV-ZYHUDNBSSA-N -1 0 388.446 -0.524 20 30 GBEDRM C=CCOC[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)[O-] ZINC001588853890 984386653 /nfs/dbraw/zinc/38/66/53/984386653.db2.gz KRCDHKCXCOIJGU-GFCCVEGCSA-N -1 0 381.410 -0.113 20 30 GBEDRM C=CCOC[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)[O-] ZINC001588853891 984386760 /nfs/dbraw/zinc/38/67/60/984386760.db2.gz KRCDHKCXCOIJGU-LBPRGKRZSA-N -1 0 381.410 -0.113 20 30 GBEDRM C=CCOC[C@@H](NC(=O)CNc1ccc(S(N)(=O)=O)cc1F)C(=O)[O-] ZINC001588854148 984388716 /nfs/dbraw/zinc/38/87/16/984388716.db2.gz PJHNJPFLDDNPNF-GFCCVEGCSA-N -1 0 375.378 -0.343 20 30 GBEDRM C=CCOC[C@H](NC(=O)CNc1ccc(S(N)(=O)=O)cc1F)C(=O)[O-] ZINC001588854150 984388586 /nfs/dbraw/zinc/38/85/86/984388586.db2.gz PJHNJPFLDDNPNF-LBPRGKRZSA-N -1 0 375.378 -0.343 20 30 GBEDRM C=CCOC[C@@H](NC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1)C(=O)[O-] ZINC001588856427 984400352 /nfs/dbraw/zinc/40/03/52/984400352.db2.gz IQDBAGLQYMNVMU-LLVKDONJSA-N -1 0 390.389 -0.204 20 30 GBEDRM C=CCOC[C@H](NC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1)C(=O)[O-] ZINC001588856429 984400428 /nfs/dbraw/zinc/40/04/28/984400428.db2.gz IQDBAGLQYMNVMU-NSHDSACASA-N -1 0 390.389 -0.204 20 30 GBEDRM C=CCOC[C@H](NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1nccn1C)C(=O)[O-] ZINC001588856561 984400973 /nfs/dbraw/zinc/40/09/73/984400973.db2.gz MMOPHHNGSLIBLF-UBHSHLNASA-N -1 0 380.401 -0.520 20 30 GBEDRM C=CCOC[C@@H](NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1nccn1C)C(=O)[O-] ZINC001588856562 984400933 /nfs/dbraw/zinc/40/09/33/984400933.db2.gz MMOPHHNGSLIBLF-XBFCOCLRSA-N -1 0 380.401 -0.520 20 30 GBEDRM C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001588878565 984454566 /nfs/dbraw/zinc/45/45/66/984454566.db2.gz DJTDTNFXEBYEGU-MRVPVSSYSA-N -1 0 375.428 -0.265 20 30 GBEDRM C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001588878569 984454452 /nfs/dbraw/zinc/45/44/52/984454452.db2.gz DJTDTNFXEBYEGU-QMMMGPOBSA-N -1 0 375.428 -0.265 20 30 GBEDRM C=CCS(=O)(=O)CCNC(=O)N1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001588878994 984456225 /nfs/dbraw/zinc/45/62/25/984456225.db2.gz QIIDFUHIBDJUBB-HNNXBMFYSA-N -1 0 375.447 -0.842 20 30 GBEDRM C=CCS(=O)(=O)CCNC(=O)N1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001588878995 984456207 /nfs/dbraw/zinc/45/62/07/984456207.db2.gz QIIDFUHIBDJUBB-OAHLLOKOSA-N -1 0 375.447 -0.842 20 30 GBEDRM C=CCS(=O)(=O)CCNC(=O)C(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC001588879198 984457203 /nfs/dbraw/zinc/45/72/03/984457203.db2.gz VQTPAEIHYKULPO-UHFFFAOYSA-N -1 0 380.422 -0.014 20 30 GBEDRM C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cn3cccc(C(=O)[O-])c3n2)c1=O ZINC001588891404 984487535 /nfs/dbraw/zinc/48/75/35/984487535.db2.gz JXVWIYPJYGKRAE-UHFFFAOYSA-N -1 0 383.364 -0.062 20 30 GBEDRM C=CCn1c(C[C@H]2SCCNC2=O)nnc1N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001588896357 984500726 /nfs/dbraw/zinc/50/07/26/984500726.db2.gz BMFWKMXQPOTFQS-SDDRHHMPSA-N -1 0 381.458 -0.084 20 30 GBEDRM C=CCn1c(C[C@@H]2SCCNC2=O)nnc1N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001588896358 984501004 /nfs/dbraw/zinc/50/10/04/984501004.db2.gz BMFWKMXQPOTFQS-SRVKXCTJSA-N -1 0 381.458 -0.084 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001588916278 984559524 /nfs/dbraw/zinc/55/95/24/984559524.db2.gz CIENYKCEPFWVKR-FZMZJTMJSA-N -1 0 377.401 -0.153 20 30 GBEDRM CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](Cn2cncn2)C(=O)[O-])c1 ZINC001588932219 984606204 /nfs/dbraw/zinc/60/62/04/984606204.db2.gz MDHVXSJOJLJBNO-AWEZNQCLSA-N -1 0 376.394 -0.042 20 30 GBEDRM CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](Cn2cncn2)C(=O)[O-])c1 ZINC001588932221 984606512 /nfs/dbraw/zinc/60/65/12/984606512.db2.gz MDHVXSJOJLJBNO-CQSZACIVSA-N -1 0 376.394 -0.042 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1(C(=O)[O-])CCOCC1 ZINC001589132617 956216637 /nfs/dbraw/zinc/21/66/37/956216637.db2.gz ZJWGWRXNEMTSTL-LLVKDONJSA-N -1 0 381.410 -0.025 20 30 GBEDRM C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1(C(=O)[O-])CCOCC1 ZINC001589132618 956215685 /nfs/dbraw/zinc/21/56/85/956215685.db2.gz ZJWGWRXNEMTSTL-NSHDSACASA-N -1 0 381.410 -0.025 20 30 GBEDRM C[C@](O)(CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC001589139219 956257372 /nfs/dbraw/zinc/25/73/72/956257372.db2.gz OTDXJANVKMIVQY-KRWDZBQOSA-N -1 0 395.437 -0.089 20 30 GBEDRM C[C@@](O)(CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC001589139223 956257638 /nfs/dbraw/zinc/25/76/38/956257638.db2.gz OTDXJANVKMIVQY-QGZVFWFLSA-N -1 0 395.437 -0.089 20 30 GBEDRM CC(=O)N[C@@H](CSCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C(=O)[O-] ZINC001589157082 985488913 /nfs/dbraw/zinc/48/89/13/985488913.db2.gz HNHWBSGFIHPPCK-ZDUSSCGKSA-N -1 0 395.441 -0.174 20 30 GBEDRM C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCC(=O)[O-])cc1 ZINC001589331833 986192501 /nfs/dbraw/zinc/19/25/01/986192501.db2.gz QDDKBRZUXOPESZ-JTQLQIEISA-N -1 0 375.428 -0.028 20 30 GBEDRM C[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCC(=O)[O-])cc1 ZINC001589331834 986192143 /nfs/dbraw/zinc/19/21/43/986192143.db2.gz QDDKBRZUXOPESZ-SNVBAGLBSA-N -1 0 375.428 -0.028 20 30 GBEDRM C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001589405283 954460364 /nfs/dbraw/zinc/46/03/64/954460364.db2.gz BLUNBTXPOOBKQA-AAEUAGOBSA-N -1 0 380.430 -0.347 20 30 GBEDRM C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001589405287 954460334 /nfs/dbraw/zinc/46/03/34/954460334.db2.gz BLUNBTXPOOBKQA-YPMHNXCESA-N -1 0 380.430 -0.347 20 30 GBEDRM CC(C)(C(N)=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CC1 ZINC001589681848 987716031 /nfs/dbraw/zinc/71/60/31/987716031.db2.gz ICHKYFWQZIYMPJ-UHFFFAOYSA-N -1 0 380.426 -0.173 20 30 GBEDRM CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)C2(C(=O)[O-])CC2)c1=O ZINC001589901418 988610113 /nfs/dbraw/zinc/61/01/13/988610113.db2.gz QGLXJTOFMGLBSV-UHFFFAOYSA-N -1 0 377.353 -0.343 20 30 GBEDRM CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)C(C)(C)C(=O)[O-])c1=O ZINC001589901596 988611166 /nfs/dbraw/zinc/61/11/66/988611166.db2.gz UOCYEJAZIKEGJR-UHFFFAOYSA-N -1 0 379.369 -0.097 20 30 GBEDRM CC(C)(C)OC(=O)N1CCO[C@@H](CS(=O)(=O)N(CC#N)CC(=O)[O-])C1 ZINC001590067925 989146499 /nfs/dbraw/zinc/14/64/99/989146499.db2.gz YPXJYKJTDAFTBZ-LLVKDONJSA-N -1 0 377.419 -0.138 20 30 GBEDRM CC(C)(C)OC(=O)N1CCO[C@H](CS(=O)(=O)N(CC#N)CC(=O)[O-])C1 ZINC001590067926 989146730 /nfs/dbraw/zinc/14/67/30/989146730.db2.gz YPXJYKJTDAFTBZ-NSHDSACASA-N -1 0 377.419 -0.138 20 30 GBEDRM CC(C)(C)OC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)N1CCO[C@H](C#N)C1 ZINC001590343975 989794398 /nfs/dbraw/zinc/79/43/98/989794398.db2.gz TTZPAWAAFWUGLB-MNOVXSKESA-N -1 0 377.419 -0.380 20 30 GBEDRM CC(C)(C)OC(=O)[C@H](CCC(=O)[O-])NS(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC001590343981 989794445 /nfs/dbraw/zinc/79/44/45/989794445.db2.gz TTZPAWAAFWUGLB-QWRGUYRKSA-N -1 0 377.419 -0.380 20 30 GBEDRM CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)CC1 ZINC001590949151 991006685 /nfs/dbraw/zinc/00/66/85/991006685.db2.gz NGIDPPNHOOLJQE-GDBMZVCRSA-N -1 0 389.460 -0.085 20 30 GBEDRM CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@H](n3cc(C(=O)[O-])nn3)C2)CC1 ZINC001590949152 991006114 /nfs/dbraw/zinc/00/61/14/991006114.db2.gz NGIDPPNHOOLJQE-GOEBONIOSA-N -1 0 389.460 -0.085 20 30 GBEDRM CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H](n3cc(C(=O)[O-])nn3)C2)CC1 ZINC001590949153 991006226 /nfs/dbraw/zinc/00/62/26/991006226.db2.gz NGIDPPNHOOLJQE-HOCLYGCPSA-N -1 0 389.460 -0.085 20 30 GBEDRM CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)CC1 ZINC001590949276 991006729 /nfs/dbraw/zinc/00/67/29/991006729.db2.gz NGIDPPNHOOLJQE-ZBFHGGJFSA-N -1 0 389.460 -0.085 20 30 GBEDRM CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)C(=O)[O-] ZINC001591184622 991988907 /nfs/dbraw/zinc/98/89/07/991988907.db2.gz WDCHURJSOLHVER-NEPJUHHUSA-N -1 0 383.426 -0.299 20 30 GBEDRM CC(C)N(CC(=O)[O-])S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 ZINC001591570995 992774394 /nfs/dbraw/zinc/77/43/94/992774394.db2.gz FLGINEWPQKHMGD-UHFFFAOYSA-N -1 0 375.428 -0.028 20 30 GBEDRM CC(C)N(CCCNC(=O)Cn1cc(C(=O)[O-])cc(C#N)c1=O)S(C)(=O)=O ZINC001591591134 992805140 /nfs/dbraw/zinc/80/51/40/992805140.db2.gz NLOJCVOIPRLIHL-UHFFFAOYSA-N -1 0 398.441 -0.406 20 30 GBEDRM CC(C)NC(=O)[C@@H]1CCCN(C(=O)C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1 ZINC001591657413 992992177 /nfs/dbraw/zinc/99/21/77/992992177.db2.gz PUVFJQIPHBBBHT-CYBMUJFWSA-N -1 0 378.429 -0.033 20 30 GBEDRM CC(C)[C@H](NC(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O)C(=O)[O-] ZINC001591885689 976251129 /nfs/dbraw/zinc/25/11/29/976251129.db2.gz NKYMDHSLJVDGQR-INIZCTEOSA-N -1 0 376.413 -0.222 20 30 GBEDRM C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001592222322 977405961 /nfs/dbraw/zinc/40/59/61/977405961.db2.gz UVIJQYMFODTIAJ-ATWGWHJKSA-N -1 0 393.487 -0.135 20 30 GBEDRM C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001592222323 977406071 /nfs/dbraw/zinc/40/60/71/977406071.db2.gz UVIJQYMFODTIAJ-JJMZSNKZSA-N -1 0 393.487 -0.135 20 30 GBEDRM C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001592222324 977406400 /nfs/dbraw/zinc/40/64/00/977406400.db2.gz UVIJQYMFODTIAJ-KTEZZQQRSA-N -1 0 393.487 -0.135 20 30 GBEDRM C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001592222325 977406179 /nfs/dbraw/zinc/40/61/79/977406179.db2.gz UVIJQYMFODTIAJ-WDBLDGLGSA-N -1 0 393.487 -0.135 20 30 GBEDRM C[C@H](CC(=O)N1C[C@H](O)C[C@H](C(=O)[O-])C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001592228124 977427998 /nfs/dbraw/zinc/42/79/98/977427998.db2.gz YCYIRVKWWMVKAN-GRYCIOLGSA-N -1 0 395.437 -0.202 20 30 GBEDRM C[C@H](CC(=O)N1C[C@H](O)C[C@@H](C(=O)[O-])C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001592228125 977428026 /nfs/dbraw/zinc/42/80/26/977428026.db2.gz YCYIRVKWWMVKAN-IJLUTSLNSA-N -1 0 395.437 -0.202 20 30 GBEDRM C[C@@H](CC(=O)N[C@H]1CCO[C@H]1C(=O)[O-])/N=C1/NS(=O)(=O)c2ccccc21 ZINC001592258878 977497633 /nfs/dbraw/zinc/49/76/33/977497633.db2.gz KPFYDPGTURLEPT-NURSFMCSSA-N -1 0 381.410 -0.138 20 30 GBEDRM C[C@H](CC(=O)N[C@H]1CCO[C@H]1C(=O)[O-])/N=C1/NS(=O)(=O)c2ccccc21 ZINC001592258880 977497673 /nfs/dbraw/zinc/49/76/73/977497673.db2.gz KPFYDPGTURLEPT-OLUVUFQESA-N -1 0 381.410 -0.138 20 30 GBEDRM C[C@H](CC(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001592262518 977508608 /nfs/dbraw/zinc/50/86/08/977508608.db2.gz VSKXPNLSPNURIH-LYGAQUJYSA-N -1 0 381.410 -0.402 20 30 GBEDRM C[C@@H](CC(=O)N[C@@]1(C(=O)[O-])C[C@@H](O)C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001592262522 977508276 /nfs/dbraw/zinc/50/82/76/977508276.db2.gz VSKXPNLSPNURIH-XQJJYNOISA-N -1 0 381.410 -0.402 20 30 GBEDRM C[C@@H](CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1)C(=O)[O-] ZINC001592588211 978511498 /nfs/dbraw/zinc/51/14/98/978511498.db2.gz CVEJTUUMIANFPJ-JTQLQIEISA-N -1 0 375.428 -0.170 20 30 GBEDRM C[C@H](CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1)C(=O)[O-] ZINC001592588212 978511668 /nfs/dbraw/zinc/51/16/68/978511668.db2.gz CVEJTUUMIANFPJ-SNVBAGLBSA-N -1 0 375.428 -0.170 20 30 GBEDRM C[C@@H](CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1)C(=O)[O-] ZINC001592722526 979226052 /nfs/dbraw/zinc/22/60/52/979226052.db2.gz NSBDWTYPRJHYCL-JTQLQIEISA-N -1 0 375.428 -0.170 20 30 GBEDRM C[C@H](CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1)C(=O)[O-] ZINC001592722689 979226156 /nfs/dbraw/zinc/22/61/56/979226156.db2.gz NSBDWTYPRJHYCL-SNVBAGLBSA-N -1 0 375.428 -0.170 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001593330571 994894637 /nfs/dbraw/zinc/89/46/37/994894637.db2.gz KOQIPHUGZMBNMO-LLVKDONJSA-N -1 0 381.410 -0.337 20 30 GBEDRM C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC001593330572 994894740 /nfs/dbraw/zinc/89/47/40/994894740.db2.gz KOQIPHUGZMBNMO-NSHDSACASA-N -1 0 381.410 -0.337 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001593334292 994909266 /nfs/dbraw/zinc/90/92/66/994909266.db2.gz NHEDQOBESHUDMF-BDJLRTHQSA-N -1 0 381.410 -0.025 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001593334293 994909207 /nfs/dbraw/zinc/90/92/07/994909207.db2.gz NHEDQOBESHUDMF-BZNIZROVSA-N -1 0 381.410 -0.025 20 30 GBEDRM C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC001593334294 994909487 /nfs/dbraw/zinc/90/94/87/994909487.db2.gz NHEDQOBESHUDMF-MEDUHNTESA-N -1 0 381.410 -0.025 20 30 GBEDRM C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@]1(CC(=O)[O-])CCOC1 ZINC001593334295 994909369 /nfs/dbraw/zinc/90/93/69/994909369.db2.gz NHEDQOBESHUDMF-ZBEGNZNMSA-N -1 0 381.410 -0.025 20 30 GBEDRM C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC001593334377 994910977 /nfs/dbraw/zinc/91/09/77/994910977.db2.gz PWCCUMUBCILPCE-AAEUAGOBSA-N -1 0 381.410 -0.073 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC001593334378 994910648 /nfs/dbraw/zinc/91/06/48/994910648.db2.gz PWCCUMUBCILPCE-DGCLKSJQSA-N -1 0 381.410 -0.073 20 30 GBEDRM C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC001593334379 994911074 /nfs/dbraw/zinc/91/10/74/994911074.db2.gz PWCCUMUBCILPCE-WCQYABFASA-N -1 0 381.410 -0.073 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC001593334380 994910881 /nfs/dbraw/zinc/91/08/81/994910881.db2.gz PWCCUMUBCILPCE-YPMHNXCESA-N -1 0 381.410 -0.073 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001593334746 994915440 /nfs/dbraw/zinc/91/54/40/994915440.db2.gz ZGTCVADLPIAZQN-GYSYKLTISA-N -1 0 381.410 -0.074 20 30 GBEDRM C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001593334757 994915915 /nfs/dbraw/zinc/91/59/15/994915915.db2.gz ZGTCVADLPIAZQN-SUNKGSAMSA-N -1 0 381.410 -0.074 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001593339244 994932020 /nfs/dbraw/zinc/93/20/20/994932020.db2.gz JWSZJCGHSSQUKS-MPKXVKKWSA-N -1 0 381.410 -0.169 20 30 GBEDRM C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CCO[C@H]1C(=O)[O-] ZINC001593339245 994931934 /nfs/dbraw/zinc/93/19/34/994931934.db2.gz JWSZJCGHSSQUKS-ZKYQVNSYSA-N -1 0 381.410 -0.169 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001593339656 994935530 /nfs/dbraw/zinc/93/55/30/994935530.db2.gz RECIYZHFDMDLEE-GYSYKLTISA-N -1 0 381.410 -0.074 20 30 GBEDRM C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001593339657 994935113 /nfs/dbraw/zinc/93/51/13/994935113.db2.gz RECIYZHFDMDLEE-SUNKGSAMSA-N -1 0 381.410 -0.074 20 30 GBEDRM C[C@H](Oc1ccc(C#N)cc1)C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001593611809 995810341 /nfs/dbraw/zinc/81/03/41/995810341.db2.gz VEAWUCPABFFPME-JKOKRWQUSA-N -1 0 386.364 -0.069 20 30 GBEDRM C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001593611815 995810480 /nfs/dbraw/zinc/81/04/80/995810480.db2.gz VEAWUCPABFFPME-OSMZGAPFSA-N -1 0 386.364 -0.069 20 30 GBEDRM COC(=O)C1(C#N)CCN(C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)CC1 ZINC001593814043 954980942 /nfs/dbraw/zinc/98/09/42/954980942.db2.gz YALUOLFPJJNLMU-GFCCVEGCSA-N -1 0 380.401 -0.060 20 30 GBEDRM COC(=O)C1(C#N)CCN(C(=O)N[C@H]2CCCCN(CC(=O)[O-])C2=O)CC1 ZINC001593814044 954980189 /nfs/dbraw/zinc/98/01/89/954980189.db2.gz YALUOLFPJJNLMU-LBPRGKRZSA-N -1 0 380.401 -0.060 20 30 GBEDRM COC(=O)CCN(CC(=O)[O-])C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC001593839139 955337750 /nfs/dbraw/zinc/33/77/50/955337750.db2.gz APEHKMJUOQHVPX-UHFFFAOYSA-N -1 0 397.409 -0.409 20 30 GBEDRM COC(=O)CC[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)[O-] ZINC001593846359 955419660 /nfs/dbraw/zinc/41/96/60/955419660.db2.gz OWTNTSBBCZPSIW-ZDUSSCGKSA-N -1 0 382.394 -0.004 20 30 GBEDRM CO[C@](C)(C(=O)[O-])C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC001593922283 956091462 /nfs/dbraw/zinc/09/14/62/956091462.db2.gz JQEWVXNQWJNIOC-INIZCTEOSA-N -1 0 381.410 -0.119 20 30 GBEDRM CO[C@@](C)(C(=O)[O-])C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC001593922284 956092496 /nfs/dbraw/zinc/09/24/96/956092496.db2.gz JQEWVXNQWJNIOC-MRXNPFEDSA-N -1 0 381.410 -0.119 20 30 GBEDRM COC[C@]1(C(=O)[O-])CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC001593961411 956485581 /nfs/dbraw/zinc/48/55/81/956485581.db2.gz BCDOVODCQUZSMN-INIZCTEOSA-N -1 0 381.410 -0.214 20 30 GBEDRM COC[C@@]1(C(=O)[O-])CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 ZINC001593961412 956486141 /nfs/dbraw/zinc/48/61/41/956486141.db2.gz BCDOVODCQUZSMN-MRXNPFEDSA-N -1 0 381.410 -0.214 20 30 GBEDRM COC[C@]1(C(=O)[O-])CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCO1 ZINC001593975836 956663203 /nfs/dbraw/zinc/66/32/03/956663203.db2.gz UCVKHOAMNSNGER-KRWDZBQOSA-N -1 0 396.421 -0.198 20 30 GBEDRM COC[C@@]1(C(=O)[O-])CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCO1 ZINC001593975840 956663224 /nfs/dbraw/zinc/66/32/24/956663224.db2.gz UCVKHOAMNSNGER-QGZVFWFLSA-N -1 0 396.421 -0.198 20 30 GBEDRM COC[C@]1(C(=O)[O-])CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCO1 ZINC001593976245 956666483 /nfs/dbraw/zinc/66/64/83/956666483.db2.gz VUGZGSRMOKHOEB-INIZCTEOSA-N -1 0 397.409 -0.835 20 30 GBEDRM COC[C@@]1(C(=O)[O-])CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCO1 ZINC001593976247 956666093 /nfs/dbraw/zinc/66/60/93/956666093.db2.gz VUGZGSRMOKHOEB-MRXNPFEDSA-N -1 0 397.409 -0.835 20 30 GBEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)[O-] ZINC001594248022 959597830 /nfs/dbraw/zinc/59/78/30/959597830.db2.gz UUABFAHNVQIFSI-CYBMUJFWSA-N -1 0 381.410 -0.081 20 30 GBEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)[O-] ZINC001594248023 959597948 /nfs/dbraw/zinc/59/79/48/959597948.db2.gz UUABFAHNVQIFSI-ZDUSSCGKSA-N -1 0 381.410 -0.081 20 30 GBEDRM Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(C(=O)C(=O)[O-])CC3)CC2)o1 ZINC001594445286 959322569 /nfs/dbraw/zinc/32/25/69/959322569.db2.gz RCZXGGNHVSXWBO-UHFFFAOYSA-N -1 0 375.385 -0.174 20 30 GBEDRM Cc1nn(C)c(N2CCN(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])CC2)c1C#N ZINC001594483069 959637872 /nfs/dbraw/zinc/63/78/72/959637872.db2.gz AJQZGSOLLAJFHT-ZDUSSCGKSA-N -1 0 382.446 -0.484 20 30 GBEDRM Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCCN(CC(=O)[O-])C3=O)CC2)c1C#N ZINC001594483361 959645442 /nfs/dbraw/zinc/64/54/42/959645442.db2.gz QPWYAHQROXELCS-CYBMUJFWSA-N -1 0 388.428 -0.428 20 30 GBEDRM Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCCN(CC(=O)[O-])C3=O)CC2)c1C#N ZINC001594483462 959646679 /nfs/dbraw/zinc/64/66/79/959646679.db2.gz QPWYAHQROXELCS-ZDUSSCGKSA-N -1 0 388.428 -0.428 20 30 GBEDRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(S(=O)(=O)N3CCO[C@@H](C#N)C3)C2)cn1 ZINC001594533602 955552067 /nfs/dbraw/zinc/55/20/67/955552067.db2.gz BCSUJEWGXXKUBC-BZPMIXESSA-N -1 0 383.430 -0.621 20 30 GBEDRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(S(=O)(=O)N3CCO[C@@H](C#N)C3)C2)cn1 ZINC001594533608 955551634 /nfs/dbraw/zinc/55/16/34/955551634.db2.gz BCSUJEWGXXKUBC-DYEKYZERSA-N -1 0 383.430 -0.621 20 30 GBEDRM Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(S(=O)(=O)N3CCO[C@H](C#N)C3)C2)cn1 ZINC001594533611 955552117 /nfs/dbraw/zinc/55/21/17/955552117.db2.gz BCSUJEWGXXKUBC-MBNYWOFBSA-N -1 0 383.430 -0.621 20 30 GBEDRM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(S(=O)(=O)N3CCO[C@H](C#N)C3)C2)cn1 ZINC001594533614 955552471 /nfs/dbraw/zinc/55/24/71/955552471.db2.gz BCSUJEWGXXKUBC-YRGRVCCFSA-N -1 0 383.430 -0.621 20 30 GBEDRM Cn1nccc1[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)[O-] ZINC001594588007 956017181 /nfs/dbraw/zinc/01/71/81/956017181.db2.gz ARMDLYNUOXSGGF-CYBMUJFWSA-N -1 0 377.382 -0.599 20 30 GBEDRM Cn1nccc1[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)[O-] ZINC001594588012 956017539 /nfs/dbraw/zinc/01/75/39/956017539.db2.gz ARMDLYNUOXSGGF-ZDUSSCGKSA-N -1 0 377.382 -0.599 20 30 GBEDRM N#C[C@]12CN(C(=O)N[C@@H]3CCCCN(CC(=O)[O-])C3=O)C[C@H]1CS(=O)(=O)C2 ZINC001594611955 956222619 /nfs/dbraw/zinc/22/26/19/956222619.db2.gz OTEVEQYGOAAGDU-HWWQOWPSSA-N -1 0 398.441 -0.968 20 30 GBEDRM N#C[C@]12CN(C(=O)N[C@H]3CCCCN(CC(=O)[O-])C3=O)C[C@H]1CS(=O)(=O)C2 ZINC001594611956 956222818 /nfs/dbraw/zinc/22/28/18/956222818.db2.gz OTEVEQYGOAAGDU-MQIPJXDCSA-N -1 0 398.441 -0.968 20 30 GBEDRM N#Cc1ccc(S(=O)(=O)N2CCN([C@H]3CCN(CC(=O)[O-])C3=O)CC2)cc1 ZINC001594625323 956307477 /nfs/dbraw/zinc/30/74/77/956307477.db2.gz MHIRYAUCWNZJPT-HNNXBMFYSA-N -1 0 392.437 -0.450 20 30 GBEDRM N#Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CCN(CC(=O)[O-])C3=O)CC2)cc1 ZINC001594625327 956307951 /nfs/dbraw/zinc/30/79/51/956307951.db2.gz MHIRYAUCWNZJPT-OAHLLOKOSA-N -1 0 392.437 -0.450 20 30 GBEDRM N#Cc1cccnc1N1CCN(C(=O)NCCOCCOCC(=O)[O-])CC1 ZINC001594631945 956348634 /nfs/dbraw/zinc/34/86/34/956348634.db2.gz NZOABYIRJCBPBC-UHFFFAOYSA-N -1 0 377.401 -0.097 20 30 GBEDRM N#Cc1cccnc1N1CCN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CC1 ZINC001594632427 956353138 /nfs/dbraw/zinc/35/31/38/956353138.db2.gz YNUJJWJSGHLESO-UHFFFAOYSA-N -1 0 392.437 -0.119 20 30 GBEDRM N#Cc1cn(CC(=O)[O-])c(=O)n(CC(=O)NCc2cccc(Cl)c2)c1=O ZINC001594632782 956354080 /nfs/dbraw/zinc/35/40/80/956354080.db2.gz BQDMQGZVQQUUQW-UHFFFAOYSA-N -1 0 376.756 -0.064 20 30 GBEDRM N#Cc1cn(CC(=O)[O-])c(=O)n(CC(=O)NCc2ccc(Cl)cc2)c1=O ZINC001594633086 956356587 /nfs/dbraw/zinc/35/65/87/956356587.db2.gz MTEIXKOTCCVREU-UHFFFAOYSA-N -1 0 376.756 -0.064 20 30 GBEDRM N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN(C(=O)C(=O)[O-])CC1 ZINC001594634340 956361495 /nfs/dbraw/zinc/36/14/95/956361495.db2.gz IGPAEBIPKQMNRZ-UHFFFAOYSA-N -1 0 382.380 -0.089 20 30 GBEDRM N#Cc1ncn(CCNC(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)n1 ZINC001594635788 956372174 /nfs/dbraw/zinc/37/21/74/956372174.db2.gz VEWTVCZVTGOJSS-LLVKDONJSA-N -1 0 375.389 -0.743 20 30 GBEDRM N#Cc1ncn(CCNC(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)n1 ZINC001594635789 956371544 /nfs/dbraw/zinc/37/15/44/956371544.db2.gz VEWTVCZVTGOJSS-NSHDSACASA-N -1 0 375.389 -0.743 20 30 GBEDRM O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC001594697035 956779258 /nfs/dbraw/zinc/77/92/58/956779258.db2.gz NMKGDIIOTJLXKH-CYBMUJFWSA-N -1 0 388.405 -0.068 20 30 GBEDRM O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC001594697036 956779951 /nfs/dbraw/zinc/77/99/51/956779951.db2.gz NMKGDIIOTJLXKH-ZDUSSCGKSA-N -1 0 388.405 -0.068 20 30 GBEDRM CC[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)[O-])cc1 ZINC001594725291 987228965 /nfs/dbraw/zinc/22/89/65/987228965.db2.gz QUVVRKKHZYVJCC-JTQLQIEISA-N -1 0 375.428 -0.028 20 30 GBEDRM CC[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)[O-])cc1 ZINC001594725292 987229235 /nfs/dbraw/zinc/22/92/35/987229235.db2.gz QUVVRKKHZYVJCC-SNVBAGLBSA-N -1 0 375.428 -0.028 20 30 GBEDRM CC[C@@](COC)(NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C(=O)[O-] ZINC001595194779 979905183 /nfs/dbraw/zinc/90/51/83/979905183.db2.gz KEPUNIKRXYNXLP-KRWDZBQOSA-N -1 0 379.417 -0.027 20 30 GBEDRM CC[C@](COC)(NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C(=O)[O-] ZINC001595194780 979905073 /nfs/dbraw/zinc/90/50/73/979905073.db2.gz KEPUNIKRXYNXLP-QGZVFWFLSA-N -1 0 379.417 -0.027 20 30 GBEDRM CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)C(=O)[O-] ZINC001595639469 981960876 /nfs/dbraw/zinc/96/08/76/981960876.db2.gz ZCALJODWQPBIQL-NEPJUHHUSA-N -1 0 383.426 -0.154 20 30 GBEDRM CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)C(=O)[O-] ZINC001595639471 981960586 /nfs/dbraw/zinc/96/05/86/981960586.db2.gz ZCALJODWQPBIQL-RYUDHWBXSA-N -1 0 383.426 -0.154 20 30 GBEDRM CCCN(CC(=O)[O-])S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 ZINC001595859637 982791781 /nfs/dbraw/zinc/79/17/81/982791781.db2.gz NNVPBGJNWFWMPM-UHFFFAOYSA-N -1 0 375.428 -0.026 20 30 GBEDRM CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC001596200014 983583240 /nfs/dbraw/zinc/58/32/40/983583240.db2.gz BINRXJGBSXOUKD-JTQLQIEISA-N -1 0 375.428 -0.028 20 30 GBEDRM CCN(CC(=O)[O-])CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC001596222830 983615046 /nfs/dbraw/zinc/61/50/46/983615046.db2.gz ZBLQBFRBQCKPIP-UHFFFAOYSA-N -1 0 394.453 -0.202 20 30 GBEDRM CCN(CCC#N)S(=O)(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001596300378 983729512 /nfs/dbraw/zinc/72/95/12/983729512.db2.gz YCCPNCZVFDFYFY-LXVYMNJGSA-N -1 0 393.487 -0.133 20 30 GBEDRM CCN(CCC#N)S(=O)(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001596300379 983729528 /nfs/dbraw/zinc/72/95/28/983729528.db2.gz YCCPNCZVFDFYFY-MBHSVXNSSA-N -1 0 393.487 -0.133 20 30 GBEDRM CCN(CCC(=O)[O-])S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 ZINC001596318749 983750057 /nfs/dbraw/zinc/75/00/57/983750057.db2.gz UXOKBKUGIDMBRW-UHFFFAOYSA-N -1 0 375.428 -0.026 20 30 GBEDRM CCN1C(=O)[C@H]2CN(S(=O)(=O)c3ccc(C#N)cc3C(=O)[O-])CCN2C1=O ZINC001596389264 983920136 /nfs/dbraw/zinc/92/01/36/983920136.db2.gz DGLIEUXJPLRLAH-GFCCVEGCSA-N -1 0 392.393 -0.087 20 30 GBEDRM CCN1C(=O)[C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3C(=O)[O-])CCN2C1=O ZINC001596389265 983920178 /nfs/dbraw/zinc/92/01/78/983920178.db2.gz DGLIEUXJPLRLAH-LBPRGKRZSA-N -1 0 392.393 -0.087 20 30 GBEDRM CCN1C(=O)CO[C@H](C(=O)N2CCC(C#N)(C(=O)[O-])CC2)[C@H]1c1ccnn1C ZINC001596389537 983921006 /nfs/dbraw/zinc/92/10/06/983921006.db2.gz JDKUEJLDTSKADM-CABCVRRESA-N -1 0 389.412 -0.075 20 30 GBEDRM CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CC1 ZINC001596461634 984172739 /nfs/dbraw/zinc/17/27/39/984172739.db2.gz HRNAUBVTLRJOEX-UHFFFAOYSA-N -1 0 380.426 -0.301 20 30 GBEDRM CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1 ZINC001596496053 984241635 /nfs/dbraw/zinc/24/16/35/984241635.db2.gz SOHUERYXHOMQHY-LLVKDONJSA-N -1 0 387.439 -0.041 20 30 GBEDRM CCNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1 ZINC001596496054 984241468 /nfs/dbraw/zinc/24/14/68/984241468.db2.gz SOHUERYXHOMQHY-NSHDSACASA-N -1 0 387.439 -0.041 20 30 GBEDRM CCOC(=O)CON=C(C(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)c1ccn[nH]1 ZINC001596629781 984613359 /nfs/dbraw/zinc/61/33/59/984613359.db2.gz VJDYRBCQBOTZNI-APPDUMDISA-N -1 0 394.384 -0.357 20 30 GBEDRM CCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CC1 ZINC001597224409 987165175 /nfs/dbraw/zinc/16/51/75/987165175.db2.gz VVSXBBCTPHNLHB-UHFFFAOYSA-N -1 0 387.439 -0.088 20 30 GBEDRM CN(C)C(=O)Cn1nc2n(c1=O)CCN([C@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001598134871 990582395 /nfs/dbraw/zinc/58/23/95/990582395.db2.gz FBZQIJZSJPSYGZ-INIZCTEOSA-N -1 0 384.396 -0.354 20 30 GBEDRM CN(C)C(=O)Cn1nc2n(c1=O)CCN([C@@H](C(=O)[O-])c1ccc(C#N)cc1)C2 ZINC001598134874 990582433 /nfs/dbraw/zinc/58/24/33/990582433.db2.gz FBZQIJZSJPSYGZ-MRXNPFEDSA-N -1 0 384.396 -0.354 20 30 GBEDRM CN(C)C(=O)Cn1nc2n(c1=O)CCN(Cc1cccc(C(=O)[O-])c1C#N)C2 ZINC001598135502 990585299 /nfs/dbraw/zinc/58/52/99/990585299.db2.gz RJFVTWGDWYWFJT-UHFFFAOYSA-N -1 0 384.396 -0.281 20 30 GBEDRM CN(C)CCN(CC(=O)N(C)C)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001598224774 990911052 /nfs/dbraw/zinc/91/10/52/990911052.db2.gz TZJWIVYPFDQTAZ-UHFFFAOYSA-N -1 0 382.442 -0.103 20 30 GBEDRM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N(CC#N)CCC(=O)[O-] ZINC001598285172 991180875 /nfs/dbraw/zinc/18/08/75/991180875.db2.gz BYICJDUJIWZEDD-UHFFFAOYSA-N -1 0 375.428 -0.074 20 30 GBEDRM CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCCCC(=O)[O-])cc1 ZINC001598376380 991565064 /nfs/dbraw/zinc/56/50/64/991565064.db2.gz RZQJRCIBSHZWFX-UHFFFAOYSA-N -1 0 375.428 -0.026 20 30 GBEDRM CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NC(C)(C)C(=O)[O-])cc1 ZINC001598376619 991567743 /nfs/dbraw/zinc/56/77/43/991567743.db2.gz YDKZSADBMSGTIT-UHFFFAOYSA-N -1 0 375.428 -0.028 20 30 GBEDRM CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001598437107 991839755 /nfs/dbraw/zinc/83/97/55/991839755.db2.gz NXFZBFQCZOLRGR-CABCVRRESA-N -1 0 375.381 -0.248 20 30 GBEDRM CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001598437112 991840401 /nfs/dbraw/zinc/84/04/01/991840401.db2.gz NXFZBFQCZOLRGR-GJZGRUSLSA-N -1 0 375.381 -0.248 20 30 GBEDRM CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC001598437115 991840243 /nfs/dbraw/zinc/84/02/43/991840243.db2.gz NXFZBFQCZOLRGR-HUUCEWRRSA-N -1 0 375.381 -0.248 20 30 GBEDRM CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC001598437117 991840271 /nfs/dbraw/zinc/84/02/71/991840271.db2.gz NXFZBFQCZOLRGR-LSDHHAIUSA-N -1 0 375.381 -0.248 20 30 GBEDRM CN(CCC#N)S(=O)(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001598468717 991990317 /nfs/dbraw/zinc/99/03/17/991990317.db2.gz IIMSPUZFFMEHCB-AKJDGMEZSA-N -1 0 379.460 -0.523 20 30 GBEDRM CN(CCC#N)S(=O)(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC001598468719 991990380 /nfs/dbraw/zinc/99/03/80/991990380.db2.gz IIMSPUZFFMEHCB-QWKFWESOSA-N -1 0 379.460 -0.523 20 30 GBEDRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC001598471421 992032117 /nfs/dbraw/zinc/03/21/17/992032117.db2.gz LGNCCJMOAKIHBE-GHMZBOCLSA-N -1 0 376.435 -0.014 20 30 GBEDRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC001598471422 992031868 /nfs/dbraw/zinc/03/18/68/992031868.db2.gz LGNCCJMOAKIHBE-MNOVXSKESA-N -1 0 376.435 -0.014 20 30 GBEDRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC001598471423 992031744 /nfs/dbraw/zinc/03/17/44/992031744.db2.gz LGNCCJMOAKIHBE-QWRGUYRKSA-N -1 0 376.435 -0.014 20 30 GBEDRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC001598471424 992032148 /nfs/dbraw/zinc/03/21/48/992032148.db2.gz LGNCCJMOAKIHBE-WDEREUQCSA-N -1 0 376.435 -0.014 20 30 GBEDRM CN(CCC(=O)[O-])S(=O)(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC001598471539 992033750 /nfs/dbraw/zinc/03/37/50/992033750.db2.gz SNVVKNRKNJHYGG-AWEZNQCLSA-N -1 0 380.426 -0.100 20 30 GBEDRM CN(CCC(=O)[O-])S(=O)(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC001598471540 992033804 /nfs/dbraw/zinc/03/38/04/992033804.db2.gz SNVVKNRKNJHYGG-CQSZACIVSA-N -1 0 380.426 -0.100 20 30 GBEDRM CN1C(=O)NC2(CCN(S(=O)(=O)c3ccc(C#N)cc3C(=O)[O-])CC2)C1=O ZINC001598556373 993062057 /nfs/dbraw/zinc/06/20/57/993062057.db2.gz FLNKEGYHZNRYCU-UHFFFAOYSA-N -1 0 392.393 -0.039 20 30 GBEDRM Cn1cc([C@@H]2[C@@H](C(=O)N3CCC(C#N)(C(=O)[O-])CC3)[C@@H](O)C(=O)N2C)cn1 ZINC001598556508 993063223 /nfs/dbraw/zinc/06/32/23/993063223.db2.gz JWYQLXVNWXOOCW-JHJVBQTASA-N -1 0 375.385 -0.873 20 30 GBEDRM CN1C[C@H](C(=O)[O-])N(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1=O ZINC001598561705 993094228 /nfs/dbraw/zinc/09/42/28/993094228.db2.gz CMSWOKUBVURGJX-CYBMUJFWSA-N -1 0 394.409 -0.754 20 30 GBEDRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1=O ZINC001598561708 993094489 /nfs/dbraw/zinc/09/44/89/993094489.db2.gz CMSWOKUBVURGJX-ZDUSSCGKSA-N -1 0 394.409 -0.754 20 30 GBEDRM CN1C[C@H](C(=O)[O-])N(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1=O ZINC001598563311 993112569 /nfs/dbraw/zinc/11/25/69/993112569.db2.gz QGVGKIGREDVZKI-GFCCVEGCSA-N -1 0 383.357 -0.510 20 30 GBEDRM CN1C[C@@H](C(=O)[O-])N(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1=O ZINC001598563312 993112613 /nfs/dbraw/zinc/11/26/13/993112613.db2.gz QGVGKIGREDVZKI-LBPRGKRZSA-N -1 0 383.357 -0.510 20 30 GBEDRM CNC(=O)C(C#N)=c1sc(=Cc2ccc(OCC(=O)[O-])cc2)c(=O)n1C1CC1 ZINC001598630892 994171582 /nfs/dbraw/zinc/17/15/82/994171582.db2.gz UCXSWJQCCACCMO-UHFFFAOYSA-N -1 0 399.428 -0.043 20 30 GBEDRM CNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CC1 ZINC001598643098 994342821 /nfs/dbraw/zinc/34/28/21/994342821.db2.gz OMEJLQUIDVYRMC-UHFFFAOYSA-N -1 0 380.426 -0.301 20 30 GBEDRM CNC(=O)NC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CCO1 ZINC001598653021 994476384 /nfs/dbraw/zinc/47/63/84/994476384.db2.gz IXPDLJUKAHXPTB-LLVKDONJSA-N -1 0 382.398 -0.425 20 30 GBEDRM CNC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CCO1 ZINC001598653025 994476291 /nfs/dbraw/zinc/47/62/91/994476291.db2.gz IXPDLJUKAHXPTB-NSHDSACASA-N -1 0 382.398 -0.425 20 30 GBEDRM CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)c1 ZINC001598676072 994845841 /nfs/dbraw/zinc/84/58/41/994845841.db2.gz WFQQZXBGVMCPQV-UHFFFAOYSA-N -1 0 387.439 -0.026 20 30 GBEDRM CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)cc1 ZINC001598676646 994856115 /nfs/dbraw/zinc/85/61/15/994856115.db2.gz DTMQIWGWMIVTAE-UHFFFAOYSA-N -1 0 387.439 -0.026 20 30 GBEDRM CNS(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CCC(=O)[O-])cc1C ZINC001598676940 994860436 /nfs/dbraw/zinc/86/04/36/994860436.db2.gz JMXFDWSVICNKMK-UHFFFAOYSA-N -1 0 375.428 -0.108 20 30 GBEDRM COC(=O)C1(C#N)CCN(C(=O)C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CC1 ZINC001598715382 995400483 /nfs/dbraw/zinc/40/04/83/995400483.db2.gz FGWWDZWLYFJXHO-QWHCGFSZSA-N -1 0 377.397 -0.139 20 30 GBEDRM COC(=O)C1CCC(NS(=O)(=O)N2CCO[C@@H](C#N)C2)(C(=O)[O-])CC1 ZINC001598788013 996046248 /nfs/dbraw/zinc/04/62/48/996046248.db2.gz VSJBKOPFMMMBLX-CVZZAPKMSA-N -1 0 375.403 -0.768 20 30 GBEDRM COC(=O)C1CCC(NS(=O)(=O)N2CCO[C@H](C#N)C2)(C(=O)[O-])CC1 ZINC001598788014 996047090 /nfs/dbraw/zinc/04/70/90/996047090.db2.gz VSJBKOPFMMMBLX-IQLKVPPVSA-N -1 0 375.403 -0.768 20 30 GBEDRM COC(=O)[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1C(=O)[O-] ZINC001598808230 996206981 /nfs/dbraw/zinc/20/69/81/996206981.db2.gz DKZWHBNKLHJUIS-GHMZBOCLSA-N -1 0 395.393 -0.943 20 30 GBEDRM COC(=O)[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H]1C(=O)[O-] ZINC001598808233 996207093 /nfs/dbraw/zinc/20/70/93/996207093.db2.gz DKZWHBNKLHJUIS-WDEREUQCSA-N -1 0 395.393 -0.943 20 30 GBEDRM COC(=O)[C@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C[C@@H]1C(=O)[O-] ZINC001598810443 996226954 /nfs/dbraw/zinc/22/69/54/996226954.db2.gz KUQZCGZCFCFPMD-KBPBESRZSA-N -1 0 394.405 -0.195 20 30 GBEDRM COC(=O)[C@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C[C@H]1C(=O)[O-] ZINC001598810445 996226909 /nfs/dbraw/zinc/22/69/09/996226909.db2.gz KUQZCGZCFCFPMD-KGLIPLIRSA-N -1 0 394.405 -0.195 20 30 GBEDRM COC(=O)[C@@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C[C@@H]1C(=O)[O-] ZINC001598810447 996226904 /nfs/dbraw/zinc/22/69/04/996226904.db2.gz KUQZCGZCFCFPMD-UONOGXRCSA-N -1 0 394.405 -0.195 20 30 GBEDRM COC(=O)[C@@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C[C@H]1C(=O)[O-] ZINC001598810449 996226766 /nfs/dbraw/zinc/22/67/66/996226766.db2.gz KUQZCGZCFCFPMD-ZIAGYGMSSA-N -1 0 394.405 -0.195 20 30 GBEDRM COC(=O)[C@H]1CN(C)C(=O)CN1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001598818353 996295851 /nfs/dbraw/zinc/29/58/51/996295851.db2.gz JZOUOUBJMZFLNN-LLVKDONJSA-N -1 0 381.366 -0.739 20 30 GBEDRM COC(=O)[C@@H]1CN(C)C(=O)CN1S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001598818364 996296509 /nfs/dbraw/zinc/29/65/09/996296509.db2.gz JZOUOUBJMZFLNN-NSHDSACASA-N -1 0 381.366 -0.739 20 30 GBEDRM COC(=O)[C@@H]1CN(C)CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1 ZINC001598818654 996299589 /nfs/dbraw/zinc/29/95/89/996299589.db2.gz LNRPRUDHIMHNIS-GFCCVEGCSA-N -1 0 381.410 -0.018 20 30 GBEDRM COC(=O)[C@H]1CN(C)CCN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1 ZINC001598818662 996299793 /nfs/dbraw/zinc/29/97/93/996299793.db2.gz LNRPRUDHIMHNIS-LBPRGKRZSA-N -1 0 381.410 -0.018 20 30 GBEDRM COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC(C#N)(C(=O)[O-])CC2)C[C@H]1C1CC1 ZINC001598897157 997103726 /nfs/dbraw/zinc/10/37/26/997103726.db2.gz XLNNNTSKQGHJLF-QWHCGFSZSA-N -1 0 377.397 -0.139 20 30 GBEDRM COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1 ZINC001598918180 997514942 /nfs/dbraw/zinc/51/49/42/997514942.db2.gz SICLJXYRRGVTGT-GFCCVEGCSA-N -1 0 381.410 -0.018 20 30 GBEDRM COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001598918181 997515210 /nfs/dbraw/zinc/51/52/10/997515210.db2.gz SICLJXYRRGVTGT-LBPRGKRZSA-N -1 0 381.410 -0.018 20 30 GBEDRM COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001598918751 997525854 /nfs/dbraw/zinc/52/58/54/997525854.db2.gz LARWIYXEKNRCLN-LLVKDONJSA-N -1 0 381.366 -0.739 20 30 GBEDRM COC(=O)c1cc(C#N)ccc1S(=O)(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001598918752 997526566 /nfs/dbraw/zinc/52/65/66/997526566.db2.gz LARWIYXEKNRCLN-NSHDSACASA-N -1 0 381.366 -0.739 20 30 GBEDRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)C1 ZINC001599069972 999325268 /nfs/dbraw/zinc/32/52/68/999325268.db2.gz ZJYPVTXVDPWHEA-KBXCAEBGSA-N -1 0 375.381 -0.248 20 30 GBEDRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001599069973 999325364 /nfs/dbraw/zinc/32/53/64/999325364.db2.gz ZJYPVTXVDPWHEA-KDOFPFPSSA-N -1 0 375.381 -0.248 20 30 GBEDRM CO[C@@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)C1 ZINC001599069974 999325298 /nfs/dbraw/zinc/32/52/98/999325298.db2.gz ZJYPVTXVDPWHEA-KSSFIOAISA-N -1 0 375.381 -0.248 20 30 GBEDRM CO[C@]1(C(=O)[O-])CCN(C(=O)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001599069975 999325606 /nfs/dbraw/zinc/32/56/06/999325606.db2.gz ZJYPVTXVDPWHEA-RDTXWAMCSA-N -1 0 375.381 -0.248 20 30 GBEDRM CO[C@]1(CNS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CCS(=O)(=O)C1 ZINC001599091046 997192554 /nfs/dbraw/zinc/19/25/54/997192554.db2.gz ZUEHWCKPFILKAS-AWEZNQCLSA-N -1 0 388.423 -0.262 20 30 GBEDRM CO[C@@]1(CNS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CCS(=O)(=O)C1 ZINC001599091047 997192007 /nfs/dbraw/zinc/19/20/07/997192007.db2.gz ZUEHWCKPFILKAS-CQSZACIVSA-N -1 0 388.423 -0.262 20 30 GBEDRM COCCN(CCC#N)S(=O)(=O)NC1(C(=O)OC)CCC(C(=O)[O-])CC1 ZINC001599235570 997939326 /nfs/dbraw/zinc/93/93/26/997939326.db2.gz DBXVJAGCNQCPBB-UHFFFAOYSA-N -1 0 391.446 -0.131 20 30 GBEDRM COCCN(CCC#N)S(=O)(=O)NC1(C(=O)[O-])CCC(C(=O)OC)CC1 ZINC001599235661 997940119 /nfs/dbraw/zinc/94/01/19/997940119.db2.gz JRBWEEBEVAQMBH-UHFFFAOYSA-N -1 0 391.446 -0.131 20 30 GBEDRM COCCN(CCC#N)S(=O)(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001599235943 997945938 /nfs/dbraw/zinc/94/59/38/997945938.db2.gz YMLJYLKWUAOUTC-UHFFFAOYSA-N -1 0 386.434 -0.280 20 30 GBEDRM COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)[O-])cc2)c(=O)n1C ZINC001599243106 998084207 /nfs/dbraw/zinc/08/42/07/998084207.db2.gz XUTCIYYAOYPMNZ-UHFFFAOYSA-N -1 0 387.417 -0.589 20 30 GBEDRM COCCNC(=O)Cn1cc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)cn1 ZINC001599243626 998096417 /nfs/dbraw/zinc/09/64/17/998096417.db2.gz QWEOGFXUCGBEOY-UHFFFAOYSA-N -1 0 378.389 -0.132 20 30 GBEDRM CON(C)S(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)CC(=O)[O-])cc1 ZINC001599316874 997518242 /nfs/dbraw/zinc/51/82/42/997518242.db2.gz YAVQPWVMPZWCIK-UHFFFAOYSA-N -1 0 377.400 -0.533 20 30 GBEDRM COc1cc(C#N)ccc1S(=O)(=O)N(CCN1CCOCC1)CC(=O)[O-] ZINC001599350279 998081125 /nfs/dbraw/zinc/08/11/25/998081125.db2.gz IWBORKPAQOXSGC-UHFFFAOYSA-N -1 0 383.426 -0.026 20 30 GBEDRM COc1ccc(S(=O)(=O)NCC(=O)N(CC#N)CCC(=O)[O-])cc1OC ZINC001599613727 993988216 /nfs/dbraw/zinc/98/82/16/993988216.db2.gz BOTLKILUTSNASA-UHFFFAOYSA-N -1 0 385.398 -0.191 20 30 GBEDRM COc1ccccc1C[C@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)C(=O)[O-] ZINC001599707585 991317161 /nfs/dbraw/zinc/31/71/61/991317161.db2.gz OZXGFHGBYKDLJC-KGLIPLIRSA-N -1 0 383.426 -0.003 20 30 GBEDRM COc1ccccc1C[C@@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)[O-] ZINC001599707586 991317131 /nfs/dbraw/zinc/31/71/31/991317131.db2.gz OZXGFHGBYKDLJC-UONOGXRCSA-N -1 0 383.426 -0.003 20 30 GBEDRM COc1ccccc1C[C@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)C(=O)[O-] ZINC001599707587 991317119 /nfs/dbraw/zinc/31/71/19/991317119.db2.gz OZXGFHGBYKDLJC-ZIAGYGMSSA-N -1 0 383.426 -0.003 20 30 GBEDRM CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1 ZINC001599755447 992047304 /nfs/dbraw/zinc/04/73/04/992047304.db2.gz TZYYBVMNGRWODV-LLVKDONJSA-N -1 0 379.460 -0.712 20 30 GBEDRM CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N2CCC(C#N)(C(=O)[O-])CC2)C1 ZINC001599755448 992047380 /nfs/dbraw/zinc/04/73/80/992047380.db2.gz TZYYBVMNGRWODV-NSHDSACASA-N -1 0 379.460 -0.712 20 30 GBEDRM CS(=O)(=O)N1CCC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1 ZINC001599756408 992059516 /nfs/dbraw/zinc/05/95/16/992059516.db2.gz YGLZDSJCMLZRNJ-LLVKDONJSA-N -1 0 387.439 -0.041 20 30 GBEDRM CS(=O)(=O)N1CCC[C@H](NS(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C1 ZINC001599756409 992059811 /nfs/dbraw/zinc/05/98/11/992059811.db2.gz YGLZDSJCMLZRNJ-NSHDSACASA-N -1 0 387.439 -0.041 20 30 GBEDRM CS(=O)(=O)[C@H]1C[C@]1(CNS(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-] ZINC001599763288 992151858 /nfs/dbraw/zinc/15/18/58/992151858.db2.gz BMLOKYREFHMUFB-WCQYABFASA-N -1 0 376.387 -0.136 20 30 GBEDRM CS(C)(=O)=NS(=O)(=O)N1CCN(c2ccc(C(=O)[O-])nc2C#N)CC1 ZINC001599780580 992358581 /nfs/dbraw/zinc/35/85/81/992358581.db2.gz GQJOAENOWCAPMI-UHFFFAOYSA-N -1 0 387.443 -0.254 20 30 GBEDRM C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CCC(=O)[O-])cc1 ZINC001599830367 988663597 /nfs/dbraw/zinc/66/35/97/988663597.db2.gz RCTHCMGTONAESO-JTQLQIEISA-N -1 0 375.428 -0.028 20 30 GBEDRM C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 ZINC001599830498 988665075 /nfs/dbraw/zinc/66/50/75/988665075.db2.gz YMRPUCIIPHLVRP-VHSXEESVSA-N -1 0 375.428 -0.029 20 30 GBEDRM C[C@@H](O)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC001599844601 988910882 /nfs/dbraw/zinc/91/08/82/988910882.db2.gz QKQNDWYQGRAPIW-ABAIWWIYSA-N -1 0 395.437 -0.091 20 30 GBEDRM C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@@H](C(=O)[O-])O1 ZINC001599852543 989036360 /nfs/dbraw/zinc/03/63/60/989036360.db2.gz YXBDXBITERDPSE-MFKMUULPSA-N -1 0 384.352 -0.222 20 30 GBEDRM C[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C(=O)[O-])O1 ZINC001599853747 989055204 /nfs/dbraw/zinc/05/52/04/989055204.db2.gz UUJZYFAFGOVRJJ-PWSUYJOCSA-N -1 0 381.410 -0.184 20 30 GBEDRM C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])CCN1S(C)(=O)=O ZINC001599868390 989308100 /nfs/dbraw/zinc/30/81/00/989308100.db2.gz LMFXPWHXVBWIBZ-SNVBAGLBSA-N -1 0 387.439 -0.089 20 30 GBEDRM C[C@H](C(=O)[O-])N(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC001599886274 984640437 /nfs/dbraw/zinc/64/04/37/984640437.db2.gz ARZRKDDWSQYREP-CYBMUJFWSA-N -1 0 394.453 -0.204 20 30 GBEDRM C[C@H]1CN(C(=O)C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)C[C@@H](C(=O)[O-])O1 ZINC001599908729 984956582 /nfs/dbraw/zinc/95/65/82/984956582.db2.gz DZNAOFYIHWXBLX-CQDKDKBSSA-N -1 0 375.381 -0.249 20 30 GBEDRM C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)C[C@@H](C(=O)[O-])O1 ZINC001599908730 984956897 /nfs/dbraw/zinc/95/68/97/984956897.db2.gz DZNAOFYIHWXBLX-GLQYFDAESA-N -1 0 375.381 -0.249 20 30 GBEDRM C[C@H]1CN(C(=O)C(=O)NCCNC(=O)C2N=CC=CC2=O)CC[C@H]1C(=O)[O-] ZINC001599912462 985003999 /nfs/dbraw/zinc/00/39/99/985003999.db2.gz JVWCPMLNORXZOQ-BYIBELNISA-N -1 0 378.385 -0.802 20 30 GBEDRM C[C@H]1CN(C(=O)C(=O)NCCNC(=O)C2N=CC=CC2=O)CC[C@H]1C(=O)[O-] ZINC001599912463 985004045 /nfs/dbraw/zinc/00/40/45/985004045.db2.gz JVWCPMLNORXZOQ-MVLFFRDUSA-N -1 0 378.385 -0.802 20 30 GBEDRM C[C@H]1CN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[C@@H](C(=O)[O-])O1 ZINC001599914436 985035014 /nfs/dbraw/zinc/03/50/14/985035014.db2.gz YXBDXBITERDPSE-GWCFXTLKSA-N -1 0 384.352 -0.222 20 30 GBEDRM Cc1c(C#N)c(=O)n(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c(=O)n1C ZINC001599974054 986059208 /nfs/dbraw/zinc/05/92/08/986059208.db2.gz JBBHYLJDLYFYRJ-HNNXBMFYSA-N -1 0 382.376 -0.235 20 30 GBEDRM Cc1c(C#N)c(=O)n(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c(=O)n1C ZINC001599974057 986059370 /nfs/dbraw/zinc/05/93/70/986059370.db2.gz JBBHYLJDLYFYRJ-OAHLLOKOSA-N -1 0 382.376 -0.235 20 30 GBEDRM C#CCN(CC(=O)[O-])C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001602681994 971264672 /nfs/dbraw/zinc/26/46/72/971264672.db2.gz CMTXEJCVZKWSIK-UHFFFAOYSA-N -1 0 381.410 -0.787 20 30 GBEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 ZINC001602682056 971264471 /nfs/dbraw/zinc/26/44/71/971264471.db2.gz DWWRBKPKBMKGNP-CYBMUJFWSA-N -1 0 382.442 -0.026 20 30 GBEDRM C#CCN(CC(=O)[O-])C(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 ZINC001602682058 971264475 /nfs/dbraw/zinc/26/44/75/971264475.db2.gz DWWRBKPKBMKGNP-ZDUSSCGKSA-N -1 0 382.442 -0.026 20 30 GBEDRM C#CCN(CC(=O)[O-])C(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 ZINC001602682308 971267551 /nfs/dbraw/zinc/26/75/51/971267551.db2.gz MGZZVDAMYRTZEU-UHFFFAOYSA-N -1 0 382.442 -0.026 20 30 GBEDRM C#CCN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC001602682333 971268030 /nfs/dbraw/zinc/26/80/30/971268030.db2.gz NGVYDHIEWDNYTM-LLVKDONJSA-N -1 0 379.394 -0.767 20 30 GBEDRM C#CCN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC001602682334 971267660 /nfs/dbraw/zinc/26/76/60/971267660.db2.gz NGVYDHIEWDNYTM-NSHDSACASA-N -1 0 379.394 -0.767 20 30 GBEDRM C#CCN(CC(=O)[O-])C(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O ZINC001602683354 971272194 /nfs/dbraw/zinc/27/21/94/971272194.db2.gz BLVJTRBKZDJFMX-UHFFFAOYSA-N -1 0 383.426 -0.575 20 30 GBEDRM C#CCN(CC(=O)[O-])C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC001602688383 971290838 /nfs/dbraw/zinc/29/08/38/971290838.db2.gz LRNXLBOMTNPYPU-UHFFFAOYSA-N -1 0 395.441 -0.285 20 30 GBEDRM C#CCN(CC(=O)[O-])C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC001602691762 971298416 /nfs/dbraw/zinc/29/84/16/971298416.db2.gz XRJTUCPSQLDRJH-UHFFFAOYSA-N -1 0 396.421 -0.124 20 30 GBEDRM C#CCN(CC(=O)[O-])CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001602695641 971310410 /nfs/dbraw/zinc/31/04/10/971310410.db2.gz NMSUCXAZCRZYRQ-UHFFFAOYSA-N -1 0 393.465 -0.320 20 30 GBEDRM C#CCN(CC(=O)[O-])CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001602695675 971311287 /nfs/dbraw/zinc/31/12/87/971311287.db2.gz PLPODENMEOTCGU-UHFFFAOYSA-N -1 0 395.437 -0.334 20 30 GBEDRM C#CCN(CC(=O)[O-])CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC001602695734 971310956 /nfs/dbraw/zinc/31/09/56/971310956.db2.gz RSVBBIAOBBNALN-UHFFFAOYSA-N -1 0 379.438 -0.461 20 30 GBEDRM C#CCN(CC(=O)[O-])S(=O)(=O)c1cnn(C)c1I ZINC001602699000 971313841 /nfs/dbraw/zinc/31/38/41/971313841.db2.gz ADWQBEZNLNZBRH-UHFFFAOYSA-N -1 0 383.167 -0.267 20 30 GBEDRM C#CCNS(=O)(=O)c1cccc(C(=O)N(CCC(=O)OC)CC(=O)[O-])c1 ZINC001602702083 971328688 /nfs/dbraw/zinc/32/86/88/971328688.db2.gz HIQMMUXAHGITBT-UHFFFAOYSA-N -1 0 382.394 -0.312 20 30 GBEDRM C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@](COC)(C(=O)[O-])C2)cc1 ZINC001602702117 971330303 /nfs/dbraw/zinc/33/03/03/971330303.db2.gz JUPTZTRYKJLZJY-KRWDZBQOSA-N -1 0 396.421 -0.460 20 30 GBEDRM C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@](COC)(C(=O)[O-])C2)cc1 ZINC001602702118 971330440 /nfs/dbraw/zinc/33/04/40/971330440.db2.gz JUPTZTRYKJLZJY-QGZVFWFLSA-N -1 0 396.421 -0.460 20 30 GBEDRM C#CCNS(=O)(=O)c1cccc(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)[O-])c1 ZINC001602702173 971330294 /nfs/dbraw/zinc/33/02/94/971330294.db2.gz KRHCXOMIQDXIIB-GFCCVEGCSA-N -1 0 395.437 -0.351 20 30 GBEDRM C#CCNS(=O)(=O)c1cccc(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)[O-])c1 ZINC001602702178 971330024 /nfs/dbraw/zinc/33/00/24/971330024.db2.gz KRHCXOMIQDXIIB-LBPRGKRZSA-N -1 0 395.437 -0.351 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1 ZINC001602702877 971332303 /nfs/dbraw/zinc/33/23/03/971332303.db2.gz VDHFESWZCGHEEX-AWEZNQCLSA-N -1 0 388.490 -0.082 20 30 GBEDRM C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cc1 ZINC001602702889 971332244 /nfs/dbraw/zinc/33/22/44/971332244.db2.gz VOKUAXZVNXVFDN-GUYCJALGSA-N -1 0 378.406 -0.229 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(C(=O)[O-])c2)CC1 ZINC001602702915 971333059 /nfs/dbraw/zinc/33/30/59/971333059.db2.gz XPFJWNNDOBBGMM-UHFFFAOYSA-N -1 0 380.426 -0.320 20 30 GBEDRM C#CCn1ccc(CN(CCOC)C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)n1 ZINC001602704705 971336276 /nfs/dbraw/zinc/33/62/76/971336276.db2.gz OXPJSGKZQZVGBW-UHFFFAOYSA-N -1 0 397.453 -0.229 20 30 GBEDRM C=CCS(=O)(=O)CCNC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1 ZINC001602728985 971399366 /nfs/dbraw/zinc/39/93/66/971399366.db2.gz UMOPEOJCWFKPOI-BGMSHATGSA-N -1 0 388.442 -0.117 20 30 GBEDRM C=CCS(=O)(=O)CCNC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1 ZINC001602728986 971399712 /nfs/dbraw/zinc/39/97/12/971399712.db2.gz UMOPEOJCWFKPOI-BWBHSNQOSA-N -1 0 388.442 -0.117 20 30 GBEDRM CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)N2CC[C@@](O)(CC#N)C2)C1 ZINC001602892080 971803045 /nfs/dbraw/zinc/80/30/45/971803045.db2.gz DWTRGUJCJRGOMN-DLBZAZTESA-N -1 0 383.401 -0.046 20 30 GBEDRM CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)N2CC[C@](O)(CC#N)C2)C1 ZINC001602892081 971803059 /nfs/dbraw/zinc/80/30/59/971803059.db2.gz DWTRGUJCJRGOMN-IAGOWNOFSA-N -1 0 383.401 -0.046 20 30 GBEDRM CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)N2CC[C@@](O)(CC#N)C2)C1 ZINC001602892082 971803037 /nfs/dbraw/zinc/80/30/37/971803037.db2.gz DWTRGUJCJRGOMN-IRXDYDNUSA-N -1 0 383.401 -0.046 20 30 GBEDRM CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)N2CC[C@](O)(CC#N)C2)C1 ZINC001602892083 971802776 /nfs/dbraw/zinc/80/27/76/971802776.db2.gz DWTRGUJCJRGOMN-SJORKVTESA-N -1 0 383.401 -0.046 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(C(=O)[O-])CCOCC1 ZINC001603250578 972420786 /nfs/dbraw/zinc/42/07/86/972420786.db2.gz FKCQRDQXVBJGQP-LLVKDONJSA-N -1 0 381.410 -0.025 20 30 GBEDRM C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(C(=O)[O-])CCOCC1 ZINC001603250579 972420967 /nfs/dbraw/zinc/42/09/67/972420967.db2.gz FKCQRDQXVBJGQP-NSHDSACASA-N -1 0 381.410 -0.025 20 30 GBEDRM C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001603250965 972425139 /nfs/dbraw/zinc/42/51/39/972425139.db2.gz UZAREKSDXDJXMN-BNLOLNQZSA-N -1 0 393.421 -0.215 20 30 GBEDRM C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001603250966 972424825 /nfs/dbraw/zinc/42/48/25/972424825.db2.gz UZAREKSDXDJXMN-ZUCKAHLUSA-N -1 0 393.421 -0.215 20 30 GBEDRM C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001603470755 973339768 /nfs/dbraw/zinc/33/97/68/973339768.db2.gz OBJVVVIIPOSIKU-CHWSQXEVSA-N -1 0 386.412 -0.291 20 30 GBEDRM C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001603470761 973339929 /nfs/dbraw/zinc/33/99/29/973339929.db2.gz OBJVVVIIPOSIKU-OLZOCXBDSA-N -1 0 386.412 -0.291 20 30 GBEDRM C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O ZINC001603470763 973339598 /nfs/dbraw/zinc/33/95/98/973339598.db2.gz OBJVVVIIPOSIKU-QWHCGFSZSA-N -1 0 386.412 -0.291 20 30 GBEDRM C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CCCN(CC(=O)[O-])C1=O ZINC001603470766 973339610 /nfs/dbraw/zinc/33/96/10/973339610.db2.gz OBJVVVIIPOSIKU-STQMWFEESA-N -1 0 386.412 -0.291 20 30 GBEDRM CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(=O)[O-])cc2)c(=O)n1CCOC ZINC001604232847 972745138 /nfs/dbraw/zinc/74/51/38/972745138.db2.gz YZABBEYMUWETAJ-UHFFFAOYSA-N -1 0 387.417 -0.497 20 30 GBEDRM COC(=O)C1CC2(C1)CN(S(=O)(=O)N1CCO[C@H](C#N)C1)C[C@@H]2C(=O)[O-] ZINC001604289792 972887414 /nfs/dbraw/zinc/88/74/14/972887414.db2.gz KFCVSKIOUYDHQW-HFXYEQLZSA-N -1 0 387.414 -0.959 20 30 GBEDRM COC(=O)C1CC2(C1)CN(S(=O)(=O)N1CCO[C@H](C#N)C1)C[C@H]2C(=O)[O-] ZINC001604289810 972886719 /nfs/dbraw/zinc/88/67/19/972886719.db2.gz KFCVSKIOUYDHQW-OOLXCHQQSA-N -1 0 387.414 -0.959 20 30 GBEDRM COC(=O)C1CC2(C1)CN(S(=O)(=O)N1CCO[C@@H](C#N)C1)C[C@H]2C(=O)[O-] ZINC001604289811 972886510 /nfs/dbraw/zinc/88/65/10/972886510.db2.gz KFCVSKIOUYDHQW-WVIDZAQPSA-N -1 0 387.414 -0.959 20 30 GBEDRM COC(=O)C1CC2(C1)CN(S(=O)(=O)N1CCO[C@@H](C#N)C1)C[C@@H]2C(=O)[O-] ZINC001604289812 972886866 /nfs/dbraw/zinc/88/68/66/972886866.db2.gz KFCVSKIOUYDHQW-XWAURUHHSA-N -1 0 387.414 -0.959 20 30 GBEDRM COC(=O)CCN(CC(=O)[O-])C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 ZINC001604303442 972946617 /nfs/dbraw/zinc/94/66/17/972946617.db2.gz NKGLHBCQWYQXRU-UHFFFAOYSA-N -1 0 382.394 -0.051 20 30 GBEDRM COC[C@]1(C(=O)[O-])CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCO1 ZINC001604551981 973580889 /nfs/dbraw/zinc/58/08/89/973580889.db2.gz ZIICVLJMALZGGY-INIZCTEOSA-N -1 0 397.409 -0.835 20 30 GBEDRM COC[C@@]1(C(=O)[O-])CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCO1 ZINC001604551982 973581303 /nfs/dbraw/zinc/58/13/03/973581303.db2.gz ZIICVLJMALZGGY-MRXNPFEDSA-N -1 0 397.409 -0.835 20 30 GBEDRM COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1 ZINC001604584634 973678230 /nfs/dbraw/zinc/67/82/30/973678230.db2.gz WUUIZCJJTFFVIW-DOMZBBRYSA-N -1 0 375.447 -0.110 20 30 GBEDRM COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1 ZINC001604584635 973677772 /nfs/dbraw/zinc/67/77/72/973677772.db2.gz WUUIZCJJTFFVIW-IUODEOHRSA-N -1 0 375.447 -0.110 20 30 GBEDRM COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C1 ZINC001604584636 973678179 /nfs/dbraw/zinc/67/81/79/973678179.db2.gz WUUIZCJJTFFVIW-SWLSCSKDSA-N -1 0 375.447 -0.110 20 30 GBEDRM COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C1 ZINC001604584637 973678058 /nfs/dbraw/zinc/67/80/58/973678058.db2.gz WUUIZCJJTFFVIW-WFASDCNBSA-N -1 0 375.447 -0.110 20 30 GBEDRM Cc1nn(C)c(N2CCN(S(=O)(=O)N3CCC(C(=O)[O-])CC3)CC2)c1C#N ZINC001605434340 973479313 /nfs/dbraw/zinc/47/93/13/973479313.db2.gz UYLQUQFZDWNBPX-UHFFFAOYSA-N -1 0 396.473 -0.236 20 30 GBEDRM N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)c1 ZINC001605601227 973902014 /nfs/dbraw/zinc/90/20/14/973902014.db2.gz BXTBKEAVKDUQDO-UHFFFAOYSA-N -1 0 383.357 -0.508 20 30 GBEDRM N#Cc1ccc(S(=O)(=O)NCC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)cc1 ZINC001605612631 973926756 /nfs/dbraw/zinc/92/67/56/973926756.db2.gz QSKKNAVJNHRMMO-LRDDRELGSA-N -1 0 379.394 -0.604 20 30 GBEDRM O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)C2 ZINC001605698851 974121502 /nfs/dbraw/zinc/12/15/02/974121502.db2.gz LIYAEAURIRJWSG-QFYYESIMSA-N -1 0 379.394 -0.715 20 30 GBEDRM CN(C)C(=O)Cn1c(=O)c(=Cc2ccc(C(=O)[O-])cc2)sc1=C(C#N)C#N ZINC001610892616 970776837 /nfs/dbraw/zinc/77/68/37/970776837.db2.gz YMSUXQODQLJSIH-UHFFFAOYSA-N -1 0 382.401 -0.277 20 30 GBEDRM N#Cc1cn(CCC(=O)NCc2cccc(N3CCOCC3)n2)c(=O)[n-]c1=O ZINC001625779798 1072131556 /nfs/dbraw/zinc/13/15/56/1072131556.db2.gz UGZYBJXYKHOUTN-UHFFFAOYSA-N -1 0 384.396 -0.241 20 30 GBEDRM N#CCCN(CCN1CCOCC1)C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001625971855 1073924945 /nfs/dbraw/zinc/92/49/45/1073924945.db2.gz MKKBJFPYSCKDHC-UHFFFAOYSA-N -1 0 386.412 -0.046 20 30 GBEDRM CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001628745103 1070793758 /nfs/dbraw/zinc/79/37/58/1070793758.db2.gz ILYNYJYPFJKVPG-PJXYFTJBSA-N -1 0 375.385 -0.198 20 30 GBEDRM CCS(=O)(=O)N(C)C1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1 ZINC001628745951 1070793706 /nfs/dbraw/zinc/79/37/06/1070793706.db2.gz JSDZXKXXZYXZCP-UHFFFAOYSA-N -1 0 397.457 -0.517 20 30 GBEDRM N#Cc1ccncc1N1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1 ZINC001628787391 1070793408 /nfs/dbraw/zinc/79/34/08/1070793408.db2.gz YWWLEZJAINUVTC-UHFFFAOYSA-N -1 0 379.380 -0.174 20 30 GBEDRM CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(C(=O)Cn1cc(C#N)c(=O)[n-]c1=O)C2 ZINC001628940114 1070798114 /nfs/dbraw/zinc/79/81/14/1070798114.db2.gz SJRXMXNROFKSDD-SGTLLEGYSA-N -1 0 390.396 -0.363 20 30 GBEDRM N#Cc1cn(CCC(=O)N2CCN(c3ncccc3C#N)CC2)c(=O)[n-]c1=O ZINC001629069107 1070801784 /nfs/dbraw/zinc/80/17/84/1070801784.db2.gz PBMCBCIAHDHFIK-UHFFFAOYSA-N -1 0 379.380 -0.174 20 30 GBEDRM N#Cc1ccnc(N2CCN(C(=O)CCn3cc(C#N)c(=O)[n-]c3=O)CC2)c1 ZINC001629268781 1070811056 /nfs/dbraw/zinc/81/10/56/1070811056.db2.gz VPVIMHIQOMEJCZ-UHFFFAOYSA-N -1 0 379.380 -0.174 20 30 GBEDRM N#Cc1cn(CC(=O)N2C[C@H]3OCCN(Cc4ccccc4)[C@H]3C2)c(=O)[n-]c1=O ZINC001629288707 1070809642 /nfs/dbraw/zinc/80/96/42/1070809642.db2.gz XVZDUUGCVZACJR-DLBZAZTESA-N -1 0 395.419 -0.068 20 30 GBEDRM CCc1cc(N2CCC(NC(=O)Cn3cc(C#N)c(=O)[n-]c3=O)CC2)ncn1 ZINC001629600885 1070828070 /nfs/dbraw/zinc/82/80/70/1070828070.db2.gz ABMLCMQNSYSBMA-UHFFFAOYSA-N -1 0 383.412 -0.042 20 30 GBEDRM Cn1cc(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cc(Br)c1=O ZINC001629807582 1070838508 /nfs/dbraw/zinc/83/85/08/1070838508.db2.gz AUBJTUWZLJSSAH-UHFFFAOYSA-N -1 0 380.158 -0.080 20 30 GBEDRM N#Cc1cn(CC(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)c(=O)[n-]c1=O ZINC001629823293 1070839103 /nfs/dbraw/zinc/83/91/03/1070839103.db2.gz ZTJZZWBPYWRXGE-AWEZNQCLSA-N -1 0 397.391 -0.383 20 30 GBEDRM N#Cc1cn(CC(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)c(=O)[n-]c1=O ZINC001629823294 1070837699 /nfs/dbraw/zinc/83/76/99/1070837699.db2.gz ZTJZZWBPYWRXGE-CQSZACIVSA-N -1 0 397.391 -0.383 20 30 GBEDRM N#Cc1cn(CCC(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)c(=O)[n-]c1=O ZINC001629949368 1070848072 /nfs/dbraw/zinc/84/80/72/1070848072.db2.gz PFBYKJWSOUGPSN-UHFFFAOYSA-N -1 0 397.391 -0.099 20 30 GBEDRM COc1ccccc1N1C[C@H](C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CC1=O ZINC001630030294 1070853273 /nfs/dbraw/zinc/85/32/73/1070853273.db2.gz AYRMRABOPIIGCH-GFCCVEGCSA-N -1 0 397.391 -0.002 20 30 GBEDRM COc1ccccc1N1C[C@@H](C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)CC1=O ZINC001630030295 1070853242 /nfs/dbraw/zinc/85/32/42/1070853242.db2.gz AYRMRABOPIIGCH-LBPRGKRZSA-N -1 0 397.391 -0.002 20 30 GBEDRM N#Cc1cn(CCNC(=O)CNC(=O)c2cc(F)cc(F)c2)c(=O)[n-]c1=O ZINC001630030500 1070852499 /nfs/dbraw/zinc/85/24/99/1070852499.db2.gz KRFMIOJHSLHMJC-UHFFFAOYSA-N -1 0 377.307 -0.355 20 30 GBEDRM N#Cc1cn(CCNC(=O)CSCC(=O)N2CCCCC2)c(=O)[n-]c1=O ZINC001630030571 1070852522 /nfs/dbraw/zinc/85/25/22/1070852522.db2.gz NIHIYDXPIRTFGA-UHFFFAOYSA-N -1 0 379.442 -0.318 20 30 GBEDRM N#Cc1cn(CC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)c(=O)[n-]c1=O ZINC001630423283 1070870918 /nfs/dbraw/zinc/87/09/18/1070870918.db2.gz NIHZNHKNWJLKLT-UHFFFAOYSA-N -1 0 380.426 -0.220 20 30 GBEDRM N#Cc1cn(CC(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)c(=O)[n-]c1=O ZINC001630439840 1070871640 /nfs/dbraw/zinc/87/16/40/1070871640.db2.gz XYIJYYUXUMBRIY-UHFFFAOYSA-N -1 0 383.364 -0.489 20 30 GBEDRM N#Cc1cn(CC(=O)N2CC[C@H](C(=O)NCc3ccccc3)C2)c(=O)[n-]c1=O ZINC001630822000 1070888711 /nfs/dbraw/zinc/88/87/11/1070888711.db2.gz UVHZLSJJJGYTCF-AWEZNQCLSA-N -1 0 381.392 -0.015 20 30 GBEDRM N#Cc1cn(CC(=O)N2CC[C@@H](C(=O)NCc3ccccc3)C2)c(=O)[n-]c1=O ZINC001630822001 1070888144 /nfs/dbraw/zinc/88/81/44/1070888144.db2.gz UVHZLSJJJGYTCF-CQSZACIVSA-N -1 0 381.392 -0.015 20 30 GBEDRM N#Cc1cn(CC(=O)NC[C@@H]2CCCCN2C(=O)C(F)(F)F)c(=O)[n-]c1=O ZINC001630886919 1070889717 /nfs/dbraw/zinc/88/97/17/1070889717.db2.gz RZANEMIDJNNWIV-JTQLQIEISA-N -1 0 387.318 -0.120 20 30 GBEDRM N#Cc1cn(CC(=O)NC[C@H]2CCCCN2C(=O)C(F)(F)F)c(=O)[n-]c1=O ZINC001630886920 1070890680 /nfs/dbraw/zinc/89/06/80/1070890680.db2.gz RZANEMIDJNNWIV-SNVBAGLBSA-N -1 0 387.318 -0.120 20 30 GBEDRM N#Cc1cn(CCC(=O)N(CCO)CCOCC(F)(F)F)c(=O)[n-]c1=O ZINC001630933620 1070892851 /nfs/dbraw/zinc/89/28/51/1070892851.db2.gz UYMXXVRVNZDAAB-UHFFFAOYSA-N -1 0 378.307 -0.390 20 30 GBEDRM N#Cc1cn(CC(=O)NC[C@@]2(N3CCOCC3)CCSC2)c(=O)[n-]c1=O ZINC001631051807 1070895565 /nfs/dbraw/zinc/89/55/65/1070895565.db2.gz FUOXKFAUXBACJS-INIZCTEOSA-N -1 0 379.442 -0.855 20 30 GBEDRM N#Cc1cn(CC(=O)NC[C@]2(N3CCOCC3)CCSC2)c(=O)[n-]c1=O ZINC001631051808 1070896320 /nfs/dbraw/zinc/89/63/20/1070896320.db2.gz FUOXKFAUXBACJS-MRXNPFEDSA-N -1 0 379.442 -0.855 20 30 GBEDRM N#Cc1cn(CCC(=O)N2CCN(C(=O)c3cccnc3)CC2)c(=O)[n-]c1=O ZINC001631223077 1070903302 /nfs/dbraw/zinc/90/33/02/1070903302.db2.gz BONJKIINJXNVDA-UHFFFAOYSA-N -1 0 382.380 -0.410 20 30 GBEDRM CN(C1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1)S(C)(=O)=O ZINC001631350005 1070907300 /nfs/dbraw/zinc/90/73/00/1070907300.db2.gz ICWWHQGLHCLLNB-UHFFFAOYSA-N -1 0 383.430 -0.907 20 30 GBEDRM COCCOCCN1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1 ZINC001631730245 1070916906 /nfs/dbraw/zinc/91/69/06/1070916906.db2.gz MLNPITRLVZTBLZ-UHFFFAOYSA-N -1 0 379.417 -0.982 20 30 GBEDRM Cn1ccnc1[C@@H](O)C1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1 ZINC001632290430 1070935153 /nfs/dbraw/zinc/93/51/53/1070935153.db2.gz LJWTUYNUYJLGGS-HNNXBMFYSA-N -1 0 386.412 -0.084 20 30 GBEDRM Cn1ccnc1[C@H](O)C1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1 ZINC001632290431 1070935693 /nfs/dbraw/zinc/93/56/93/1070935693.db2.gz LJWTUYNUYJLGGS-OAHLLOKOSA-N -1 0 386.412 -0.084 20 30 GBEDRM CON(C)C(=O)[C@H](CCSC)NC(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001632414795 1070938623 /nfs/dbraw/zinc/93/86/23/1070938623.db2.gz OTEPKJUXZYDEHC-NSHDSACASA-N -1 0 383.430 -0.532 20 30 GBEDRM O=C(CN=C1NS(=O)(=O)c2ccccc21)N1CCC(c2nnn[n-]2)CC1 ZINC001632650961 1070948000 /nfs/dbraw/zinc/94/80/00/1070948000.db2.gz MHOJITSVHKSHLS-UHFFFAOYSA-N -1 0 375.414 -0.356 20 30 GBEDRM CC(C)(C)OC(=O)[C@H]1COCCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001632840901 1070953295 /nfs/dbraw/zinc/95/32/95/1070953295.db2.gz WFZFWALGSZAFQW-GFCCVEGCSA-N -1 0 378.385 -0.220 20 30 GBEDRM CC(C)(C)OC(=O)[C@@H]1COCCN1C(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001632840902 1070953158 /nfs/dbraw/zinc/95/31/58/1070953158.db2.gz WFZFWALGSZAFQW-LBPRGKRZSA-N -1 0 378.385 -0.220 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)CC1 ZINC001632965976 1070960003 /nfs/dbraw/zinc/96/00/03/1070960003.db2.gz HBOPPWKDHYWGQW-UHFFFAOYSA-N -1 0 391.409 -0.745 20 30 GBEDRM COc1ccc(CN(CCO)C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c(OC)c1 ZINC001633086607 1070965386 /nfs/dbraw/zinc/96/53/86/1070965386.db2.gz DFDZGLAKLMZXSZ-UHFFFAOYSA-N -1 0 388.380 -0.141 20 30 GBEDRM COC(=O)CCN(C[C@H]1CCCO1)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001633799458 1070992079 /nfs/dbraw/zinc/99/20/79/1070992079.db2.gz ONRVPOILPYVSJE-CYBMUJFWSA-N -1 0 378.385 -0.219 20 30 GBEDRM COC(=O)CCN(C[C@@H]1CCCO1)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001633799459 1070992319 /nfs/dbraw/zinc/99/23/19/1070992319.db2.gz ONRVPOILPYVSJE-ZDUSSCGKSA-N -1 0 378.385 -0.219 20 30 GBEDRM CCOC(=O)[C@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC12COC2 ZINC001633933389 1070994873 /nfs/dbraw/zinc/99/48/73/1070994873.db2.gz ASSSDCPRDWPLHK-GFCCVEGCSA-N -1 0 376.369 -0.751 20 30 GBEDRM CCOC(=O)[C@@H]1CN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC12COC2 ZINC001633933390 1070995139 /nfs/dbraw/zinc/99/51/39/1070995139.db2.gz ASSSDCPRDWPLHK-LBPRGKRZSA-N -1 0 376.369 -0.751 20 30 GBEDRM N#Cc1cn(CC(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)c(=O)[n-]c1=O ZINC001634106852 1071000054 /nfs/dbraw/zinc/00/00/54/1071000054.db2.gz CDYXHDQOTGFXQX-KRWDZBQOSA-N -1 0 397.435 -0.120 20 30 GBEDRM N#Cc1cn(CC(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)c(=O)[n-]c1=O ZINC001634106856 1071000163 /nfs/dbraw/zinc/00/01/63/1071000163.db2.gz CDYXHDQOTGFXQX-QGZVFWFLSA-N -1 0 397.435 -0.120 20 30 GBEDRM CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cn1 ZINC001634490695 1071017043 /nfs/dbraw/zinc/01/70/43/1071017043.db2.gz JQHYTUKSNIZYPM-CEXHIMGSSA-N -1 0 390.425 -0.631 20 30 GBEDRM CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cn1 ZINC001634490696 1071016660 /nfs/dbraw/zinc/01/66/60/1071016660.db2.gz JQHYTUKSNIZYPM-JGTBNHKDSA-N -1 0 390.425 -0.631 20 30 GBEDRM CCn1cc([C@H]2C[S@](=O)CCN2C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cn1 ZINC001634490697 1071016851 /nfs/dbraw/zinc/01/68/51/1071016851.db2.gz JQHYTUKSNIZYPM-PFUSGODGSA-N -1 0 390.425 -0.631 20 30 GBEDRM CCn1cc([C@H]2C[S@@](=O)CCN2C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cn1 ZINC001634490698 1071018496 /nfs/dbraw/zinc/01/84/96/1071018496.db2.gz JQHYTUKSNIZYPM-QWVSSGJLSA-N -1 0 390.425 -0.631 20 30 GBEDRM N#Cc1cn(CC(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)c(=O)[n-]c1=O ZINC001634939183 1071034241 /nfs/dbraw/zinc/03/42/41/1071034241.db2.gz RNULIWLTXCKTGP-HNNXBMFYSA-N -1 0 384.396 -0.767 20 30 GBEDRM N#Cc1cn(CC(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)c(=O)[n-]c1=O ZINC001634939184 1071034587 /nfs/dbraw/zinc/03/45/87/1071034587.db2.gz RNULIWLTXCKTGP-OAHLLOKOSA-N -1 0 384.396 -0.767 20 30 GBEDRM N#Cc1cn(CC(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)c(=O)[n-]c1=O ZINC001635041844 1071037132 /nfs/dbraw/zinc/03/71/32/1071037132.db2.gz DQRQDBNSXWCWAA-AWEZNQCLSA-N -1 0 397.391 -0.383 20 30 GBEDRM N#Cc1cn(CC(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)c(=O)[n-]c1=O ZINC001635041845 1071036942 /nfs/dbraw/zinc/03/69/42/1071036942.db2.gz DQRQDBNSXWCWAA-CQSZACIVSA-N -1 0 397.391 -0.383 20 30 GBEDRM N#Cc1cn(CCC(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)c(=O)[n-]c1=O ZINC001635125686 1071039472 /nfs/dbraw/zinc/03/94/72/1071039472.db2.gz GOBYSIBRRCTENG-DOMZBBRYSA-N -1 0 376.413 -0.105 20 30 GBEDRM N#Cc1cn(CCC(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)c(=O)[n-]c1=O ZINC001635125690 1071039355 /nfs/dbraw/zinc/03/93/55/1071039355.db2.gz GOBYSIBRRCTENG-IUODEOHRSA-N -1 0 376.413 -0.105 20 30 GBEDRM N#Cc1cn(CCC(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c(=O)[n-]c1=O ZINC001635125694 1071039688 /nfs/dbraw/zinc/03/96/88/1071039688.db2.gz GOBYSIBRRCTENG-SWLSCSKDSA-N -1 0 376.413 -0.105 20 30 GBEDRM N#Cc1cn(CCC(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)c(=O)[n-]c1=O ZINC001635125697 1071039598 /nfs/dbraw/zinc/03/95/98/1071039598.db2.gz GOBYSIBRRCTENG-WFASDCNBSA-N -1 0 376.413 -0.105 20 30 GBEDRM Cn1c(CNC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)cc(=O)n1-c1ccccc1 ZINC001635392199 1071045596 /nfs/dbraw/zinc/04/55/96/1071045596.db2.gz SRSVCPTXSWOSLC-UHFFFAOYSA-N -1 0 380.364 -0.374 20 30 GBEDRM N#Cc1cn(CC(=O)NCC(=O)c2cncc(Br)c2)c(=O)[n-]c1=O ZINC001635483742 1071048438 /nfs/dbraw/zinc/04/84/38/1071048438.db2.gz YTKDVLUMRHQANJ-UHFFFAOYSA-N -1 0 392.169 -0.023 20 30 GBEDRM N#Cc1cn(CC(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)c(=O)[n-]c1=O ZINC001635513863 1071049010 /nfs/dbraw/zinc/04/90/10/1071049010.db2.gz LQNKADMJLXRKMU-UHFFFAOYSA-N -1 0 387.318 -0.262 20 30 GBEDRM N#Cc1cn(CC(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)c(=O)[n-]c1=O ZINC001635653501 1071052766 /nfs/dbraw/zinc/05/27/66/1071052766.db2.gz UXOUIARWDXDWJW-UHFFFAOYSA-N -1 0 383.364 -0.489 20 30 GBEDRM N#Cc1cn(CC(=O)NC[C@H](O)COc2ccc(F)c(F)c2)c(=O)[n-]c1=O ZINC001635686288 1071054645 /nfs/dbraw/zinc/05/46/45/1071054645.db2.gz UKITVTDFEIFXAE-JTQLQIEISA-N -1 0 380.307 -0.345 20 30 GBEDRM N#Cc1cn(CC(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)c(=O)[n-]c1=O ZINC001635686289 1071054571 /nfs/dbraw/zinc/05/45/71/1071054571.db2.gz UKITVTDFEIFXAE-SNVBAGLBSA-N -1 0 380.307 -0.345 20 30 GBEDRM C#CCNC(=O)CN1CCN(C(=O)c2cc(=O)n(-c3nc(C)cc(C)n3)[n-]2)CC1 ZINC001635993772 1071063021 /nfs/dbraw/zinc/06/30/21/1071063021.db2.gz SNPSDNMDHJCTFN-UHFFFAOYSA-N -1 0 397.439 -0.920 20 30 GBEDRM COC(=O)[C@@H](COC1CCC1)N(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001636221073 1071071294 /nfs/dbraw/zinc/07/12/94/1071071294.db2.gz QQFFLGXHXGAAAO-CYBMUJFWSA-N -1 0 378.385 -0.220 20 30 GBEDRM COC(=O)[C@H](COC1CCC1)N(C)C(=O)CCn1cc(C#N)c(=O)[n-]c1=O ZINC001636221074 1071071594 /nfs/dbraw/zinc/07/15/94/1071071594.db2.gz QQFFLGXHXGAAAO-ZDUSSCGKSA-N -1 0 378.385 -0.220 20 30 GBEDRM N#Cc1cn(CCNC(=O)N[C@@H]2CCOC3(CCOCC3)C2)c(=O)[n-]c1=O ZINC001636319500 1071076967 /nfs/dbraw/zinc/07/69/67/1071076967.db2.gz FYJFLQSBPDGQLP-CYBMUJFWSA-N -1 0 377.401 -0.152 20 30 GBEDRM N#Cc1cn(CCNC(=O)N[C@H]2CCOC3(CCOCC3)C2)c(=O)[n-]c1=O ZINC001636319501 1071077093 /nfs/dbraw/zinc/07/70/93/1071077093.db2.gz FYJFLQSBPDGQLP-ZDUSSCGKSA-N -1 0 377.401 -0.152 20 30 GBEDRM N#Cc1cn(CC(=O)NCCCn2cc(Br)cn2)c(=O)[n-]c1=O ZINC001637002720 1071110284 /nfs/dbraw/zinc/11/02/84/1071110284.db2.gz LUSFJMOULVNOOS-UHFFFAOYSA-N -1 0 381.190 -0.014 20 30 GBEDRM Cc1cc(C)nc(N2CCN(C(=O)CCn3cc(C#N)c(=O)[n-]c3=O)CC2)n1 ZINC001637071197 1071113874 /nfs/dbraw/zinc/11/38/74/1071113874.db2.gz LBYDNQKXSDPESU-UHFFFAOYSA-N -1 0 383.412 -0.034 20 30 GBEDRM CN(C)[S@](C)(=O)=NCC1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1 ZINC001637238451 1071122431 /nfs/dbraw/zinc/12/24/31/1071122431.db2.gz UNWRVGZSWYCIOI-HHHXNRCGSA-N -1 0 396.473 -0.366 20 30 GBEDRM CN(C)[S@@](C)(=O)=NCC1CCN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1 ZINC001637238452 1071122977 /nfs/dbraw/zinc/12/29/77/1071122977.db2.gz UNWRVGZSWYCIOI-MHZLTWQESA-N -1 0 396.473 -0.366 20 30 GBEDRM N#Cc1cn(CC(=O)NC2(C(=O)N3CCOCC3)CCCCC2)c(=O)[n-]c1=O ZINC001637420588 1071129406 /nfs/dbraw/zinc/12/94/06/1071129406.db2.gz OXNCNYATHRFBAG-UHFFFAOYSA-N -1 0 389.412 -0.502 20 30 GBEDRM COCCn1cc(C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)c(=O)cc1C ZINC001637512663 1071133407 /nfs/dbraw/zinc/13/34/07/1071133407.db2.gz AUOAXVKOSCLLJH-UHFFFAOYSA-N -1 0 385.380 -0.366 20 30 GBEDRM Cn1cc(N2C[C@H](C(=O)N3CC(n4cc(C#N)c(=O)[n-]c4=O)C3)CCC2=O)cn1 ZINC001637512772 1071133602 /nfs/dbraw/zinc/13/36/02/1071133602.db2.gz FLENSVLCPUTZPG-LLVKDONJSA-N -1 0 397.395 -0.619 20 30 GBEDRM Cn1cc(N2C[C@@H](C(=O)N3CC(n4cc(C#N)c(=O)[n-]c4=O)C3)CCC2=O)cn1 ZINC001637512773 1071133374 /nfs/dbraw/zinc/13/33/74/1071133374.db2.gz FLENSVLCPUTZPG-NSHDSACASA-N -1 0 397.395 -0.619 20 30 GBEDRM Cn1c(CO)nc2cc(C(=O)N3CC(n4cc(C#N)c(=O)[n-]c4=O)C3)ccc21 ZINC001637512817 1071133574 /nfs/dbraw/zinc/13/35/74/1071133574.db2.gz GQNNGTVYPRYEBT-UHFFFAOYSA-N -1 0 380.364 -0.103 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)Cn3c(=O)cnc4ccccc43)C2)c(=O)[n-]c1=O ZINC001637514277 1071133491 /nfs/dbraw/zinc/13/34/91/1071133491.db2.gz RSKDTZNEBHOZMI-UHFFFAOYSA-N -1 0 378.348 -0.386 20 30 GBEDRM O=C(CN=C1NS(=O)(=O)c2ccccc21)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001638182544 1071161192 /nfs/dbraw/zinc/16/11/92/1071161192.db2.gz UWYFRZFBHSFFGD-LLVKDONJSA-N -1 0 389.441 -0.281 20 30 GBEDRM O=C(CN=C1NS(=O)(=O)c2ccccc21)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001638182545 1071160949 /nfs/dbraw/zinc/16/09/49/1071160949.db2.gz UWYFRZFBHSFFGD-NSHDSACASA-N -1 0 389.441 -0.281 20 30 GBEDRM N#Cc1cn(CCC(=O)N2CCS(=O)(=O)C[C@@H]2C2CCC2)c(=O)[n-]c1=O ZINC001638202685 1071162105 /nfs/dbraw/zinc/16/21/05/1071162105.db2.gz RGGXYSDDGGLFEZ-CYBMUJFWSA-N -1 0 380.426 -0.364 20 30 GBEDRM N#Cc1cn(CCC(=O)N2CCS(=O)(=O)C[C@H]2C2CCC2)c(=O)[n-]c1=O ZINC001638202686 1071162314 /nfs/dbraw/zinc/16/23/14/1071162314.db2.gz RGGXYSDDGGLFEZ-ZDUSSCGKSA-N -1 0 380.426 -0.364 20 30 GBEDRM CN(CCn1cc(Br)cn1)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001638440550 1071171828 /nfs/dbraw/zinc/17/18/28/1071171828.db2.gz WCLDKDPOPWSWGU-UHFFFAOYSA-N -1 0 381.190 -0.062 20 30 GBEDRM CC#CCS(=O)(=O)c1cccc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)c1 ZINC001638468404 1071174078 /nfs/dbraw/zinc/17/40/78/1071174078.db2.gz MXILFDPOQUHCOY-UHFFFAOYSA-N -1 0 386.451 -0.321 20 30 GBEDRM N#Cc1cn(CC(=O)N2CCN(c3nc(F)c(F)cc3F)CC2)c(=O)[n-]c1=O ZINC001638499435 1071176478 /nfs/dbraw/zinc/17/64/78/1071176478.db2.gz IXVKEDQAZCZCSP-UHFFFAOYSA-N -1 0 394.313 -0.018 20 30 GBEDRM CO[N-]C(=O)CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC001638759028 1071186911 /nfs/dbraw/zinc/18/69/11/1071186911.db2.gz VBNZRUGCSCTESU-UHFFFAOYSA-N -1 0 381.414 -0.748 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)N[C@@H]3CCOC34CCOCC4)C2)c(=O)[n-]c1=O ZINC001638932883 1071195026 /nfs/dbraw/zinc/19/50/26/1071195026.db2.gz ATJCXDUVCMYQNP-CYBMUJFWSA-N -1 0 375.385 -0.275 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)N[C@H]3CCOC34CCOCC4)C2)c(=O)[n-]c1=O ZINC001638932884 1071195003 /nfs/dbraw/zinc/19/50/03/1071195003.db2.gz ATJCXDUVCMYQNP-ZDUSSCGKSA-N -1 0 375.385 -0.275 20 30 GBEDRM COC(=O)C(C)(C)N1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1 ZINC001639121482 1071200903 /nfs/dbraw/zinc/20/09/03/1071200903.db2.gz RBJQTHPRIADBFZ-UHFFFAOYSA-N -1 0 377.401 -0.694 20 30 GBEDRM N#Cc1cn(CC(=O)N[C@@H](C2CCOCC2)C2(CO)CCC2)c(=O)[n-]c1=O ZINC001639198371 1071204244 /nfs/dbraw/zinc/20/42/44/1071204244.db2.gz HEFJBJOJWOANEU-HNNXBMFYSA-N -1 0 376.413 -0.105 20 30 GBEDRM N#Cc1cn(CC(=O)N[C@H](C2CCOCC2)C2(CO)CCC2)c(=O)[n-]c1=O ZINC001639198373 1071204317 /nfs/dbraw/zinc/20/43/17/1071204317.db2.gz HEFJBJOJWOANEU-OAHLLOKOSA-N -1 0 376.413 -0.105 20 30 GBEDRM CCOC(=O)C1CCN(C(=O)CN(C)c2[n-]c(=O)n(C)c(=O)c2C#N)CC1 ZINC001639404195 1071213353 /nfs/dbraw/zinc/21/33/53/1071213353.db2.gz YEOUVHWAKCPSHM-UHFFFAOYSA-N -1 0 377.401 -0.817 20 30 GBEDRM N#Cc1cn(CC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)c(=O)[n-]c1=O ZINC001639507850 1071215185 /nfs/dbraw/zinc/21/51/85/1071215185.db2.gz SNFALAJHXYWGLM-UHFFFAOYSA-N -1 0 395.441 -0.763 20 30 GBEDRM Cn1c(=O)[n-]c(N2CCN(S(C)(=O)=O)c3ccccc3C2)c(C#N)c1=O ZINC001639744921 1071224113 /nfs/dbraw/zinc/22/41/13/1071224113.db2.gz FXSIMBDUHLKHMJ-UHFFFAOYSA-N -1 0 375.410 -0.269 20 30 GBEDRM CN(CCNc1[n-]c(=O)n(C)c(=O)c1C#N)S(=O)(=O)c1ccc(F)cc1 ZINC001639858681 1071228133 /nfs/dbraw/zinc/22/81/33/1071228133.db2.gz OALLKNYLQVGYBH-UHFFFAOYSA-N -1 0 381.389 -0.183 20 30 GBEDRM N#Cc1cn(CCC(=O)N[C@@H](C2CC2)C2(CO)CCOCC2)c(=O)[n-]c1=O ZINC001640308601 1071242831 /nfs/dbraw/zinc/24/28/31/1071242831.db2.gz QJNQZXNDBXFYKK-HNNXBMFYSA-N -1 0 376.413 -0.105 20 30 GBEDRM N#Cc1cn(CCC(=O)N[C@H](C2CC2)C2(CO)CCOCC2)c(=O)[n-]c1=O ZINC001640308602 1071242769 /nfs/dbraw/zinc/24/27/69/1071242769.db2.gz QJNQZXNDBXFYKK-OAHLLOKOSA-N -1 0 376.413 -0.105 20 30 GBEDRM CN1CCN(C(=O)[C@H](Cc2ccccc2)Nc2[n-]c(=O)n(C)c(=O)c2C#N)CC1 ZINC001640412314 1071244988 /nfs/dbraw/zinc/24/49/88/1071244988.db2.gz WBTLWXFRWJBMKQ-INIZCTEOSA-N -1 0 396.451 -0.258 20 30 GBEDRM CN1CCN(C(=O)[C@@H](Cc2ccccc2)Nc2[n-]c(=O)n(C)c(=O)c2C#N)CC1 ZINC001640412315 1071244864 /nfs/dbraw/zinc/24/48/64/1071244864.db2.gz WBTLWXFRWJBMKQ-MRXNPFEDSA-N -1 0 396.451 -0.258 20 30 GBEDRM COC(=O)[C@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c2ccc(F)cc2O1 ZINC001640605121 1071248877 /nfs/dbraw/zinc/24/88/77/1071248877.db2.gz LXMVLMLTZDYWTF-CYBMUJFWSA-N -1 0 388.311 -0.073 20 30 GBEDRM COC(=O)[C@@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)c2ccc(F)cc2O1 ZINC001640605122 1071250105 /nfs/dbraw/zinc/25/01/05/1071250105.db2.gz LXMVLMLTZDYWTF-ZDUSSCGKSA-N -1 0 388.311 -0.073 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)Cn3ncc(=O)c4ccccc43)C2)c(=O)[n-]c1=O ZINC001640636312 1071250228 /nfs/dbraw/zinc/25/02/28/1071250228.db2.gz BAHKAQJYRDFEOA-UHFFFAOYSA-N -1 0 378.348 -0.386 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)Cn3ncc4ccccc4c3=O)C2)c(=O)[n-]c1=O ZINC001640636896 1071250149 /nfs/dbraw/zinc/25/01/49/1071250149.db2.gz PBTPXUOURUXXCS-UHFFFAOYSA-N -1 0 378.348 -0.386 20 30 GBEDRM COc1ccc(C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)cc1OCCO ZINC001640637168 1071250257 /nfs/dbraw/zinc/25/02/57/1071250257.db2.gz TXIZENCASIGANA-UHFFFAOYSA-N -1 0 386.364 -0.103 20 30 GBEDRM COCCOC1(CNC(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CCOCC1 ZINC001640969041 1071260138 /nfs/dbraw/zinc/26/01/38/1071260138.db2.gz WGLHNHRBEYVHST-UHFFFAOYSA-N -1 0 380.401 -0.461 20 30 GBEDRM N#Cc1cn(CCNC(=O)[C@@H]2COCCN2CC(F)(F)F)c(=O)[n-]c1=O ZINC001641034241 1071262441 /nfs/dbraw/zinc/26/24/41/1071262441.db2.gz WMMFLRKAOUJUOG-JTQLQIEISA-N -1 0 375.307 -0.800 20 30 GBEDRM N#Cc1cn(CCNC(=O)[C@H]2COCCN2CC(F)(F)F)c(=O)[n-]c1=O ZINC001641034242 1071262343 /nfs/dbraw/zinc/26/23/43/1071262343.db2.gz WMMFLRKAOUJUOG-SNVBAGLBSA-N -1 0 375.307 -0.800 20 30 GBEDRM N#Cc1cn(CCNC(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)c(=O)[n-]c1=O ZINC001641034312 1071262590 /nfs/dbraw/zinc/26/25/90/1071262590.db2.gz ZGSWPPIQBNBQJH-IBGZPJMESA-N -1 0 381.392 -0.215 20 30 GBEDRM N#Cc1cn(CCNC(=O)[C@]2(c3ccccc3)CCC(=O)NC2)c(=O)[n-]c1=O ZINC001641034313 1071262477 /nfs/dbraw/zinc/26/24/77/1071262477.db2.gz ZGSWPPIQBNBQJH-LJQANCHMSA-N -1 0 381.392 -0.215 20 30 GBEDRM CS(=O)(=O)[C@@H]1CN(C(=O)Cn2cc(C#N)c(=O)[n-]c2=O)C[C@H]1C(F)(F)F ZINC001641389677 1071269529 /nfs/dbraw/zinc/26/95/29/1071269529.db2.gz VYTOEPXVPIPKGF-RKDXNWHRSA-N -1 0 394.331 -0.746 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)CC[C@@H]3CC[C@@H](C4OCCO4)O3)C2)c(=O)[n-]c1=O ZINC001641752370 1071279914 /nfs/dbraw/zinc/27/99/14/1071279914.db2.gz WDPADQOMEPSVMO-KBPBESRZSA-N -1 0 390.396 -0.095 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)CC[C@H]3CC[C@@H](C4OCCO4)O3)C2)c(=O)[n-]c1=O ZINC001641752371 1071279945 /nfs/dbraw/zinc/27/99/45/1071279945.db2.gz WDPADQOMEPSVMO-KGLIPLIRSA-N -1 0 390.396 -0.095 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)CC[C@@H]3CC[C@H](C4OCCO4)O3)C2)c(=O)[n-]c1=O ZINC001641752372 1071279960 /nfs/dbraw/zinc/27/99/60/1071279960.db2.gz WDPADQOMEPSVMO-UONOGXRCSA-N -1 0 390.396 -0.095 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)CC[C@H]3CC[C@H](C4OCCO4)O3)C2)c(=O)[n-]c1=O ZINC001641752373 1071280174 /nfs/dbraw/zinc/28/01/74/1071280174.db2.gz WDPADQOMEPSVMO-ZIAGYGMSSA-N -1 0 390.396 -0.095 20 30 GBEDRM N#Cc1cn(CCNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)c(=O)[n-]c1=O ZINC001641967507 1071287067 /nfs/dbraw/zinc/28/70/67/1071287067.db2.gz BUTRYSJAOLEVJM-INIZCTEOSA-N -1 0 383.408 -0.162 20 30 GBEDRM N#Cc1cn(CCNC(=O)[C@H]2CN(Cc3ccccc3)CCO2)c(=O)[n-]c1=O ZINC001641967508 1071287192 /nfs/dbraw/zinc/28/71/92/1071287192.db2.gz BUTRYSJAOLEVJM-MRXNPFEDSA-N -1 0 383.408 -0.162 20 30 GBEDRM CN(C)C(=O)COc1ccccc1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001641967702 1071287583 /nfs/dbraw/zinc/28/75/83/1071287583.db2.gz HDRRSGYMFHSBQA-UHFFFAOYSA-N -1 0 385.380 -0.282 20 30 GBEDRM COc1ccc(N2C[C@H](C(=O)NCCn3cc(C#N)c(=O)[n-]c3=O)CC2=O)cc1 ZINC001641967752 1071287161 /nfs/dbraw/zinc/28/71/61/1071287161.db2.gz JGRXMKWHNUJYOP-GFCCVEGCSA-N -1 0 397.391 -0.002 20 30 GBEDRM COc1ccc(N2C[C@@H](C(=O)NCCn3cc(C#N)c(=O)[n-]c3=O)CC2=O)cc1 ZINC001641967754 1071288654 /nfs/dbraw/zinc/28/86/54/1071288654.db2.gz JGRXMKWHNUJYOP-LBPRGKRZSA-N -1 0 397.391 -0.002 20 30 GBEDRM N#Cc1cn(CCNC(=O)c2ccc(C(=O)N3CCOCC3)cc2)c(=O)[n-]c1=O ZINC001641970621 1071288578 /nfs/dbraw/zinc/28/85/78/1071288578.db2.gz NVLVOXGCYUWJED-UHFFFAOYSA-N -1 0 397.391 -0.277 20 30 GBEDRM N#Cc1cn(CCC(=O)N2CCN(CCc3ccncc3)CC2)c(=O)[n-]c1=O ZINC001641990064 1071288632 /nfs/dbraw/zinc/28/86/32/1071288632.db2.gz HHMJGIDLGUSZBP-UHFFFAOYSA-N -1 0 382.424 -0.007 20 30 GBEDRM N#Cc1cn(CCC(=O)N(CCN2CCOCC2)CC2CC2)c(=O)[n-]c1=O ZINC001642150940 1071290035 /nfs/dbraw/zinc/29/00/35/1071290035.db2.gz QLHFSMAVRPIPFL-UHFFFAOYSA-N -1 0 375.429 -0.219 20 30 GBEDRM N#Cc1cn(CCC(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c(=O)[n-]c1=O ZINC001642341002 1071293860 /nfs/dbraw/zinc/29/38/60/1071293860.db2.gz PYWWDAGIPPEUGO-HUUCEWRRSA-N -1 0 387.440 -0.030 20 30 GBEDRM CCCN(CCC)S(=O)(=O)N1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)CC1 ZINC001642666558 1071306047 /nfs/dbraw/zinc/30/60/47/1071306047.db2.gz MAENUSJDESLICI-UHFFFAOYSA-N -1 0 398.489 -0.566 20 30 GBEDRM Cn1c(=O)[n-]c(N2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)c(C#N)c1=O ZINC001642731574 1071306743 /nfs/dbraw/zinc/30/67/43/1071306743.db2.gz JWRBQOQAJOBQSQ-UHFFFAOYSA-N -1 0 377.401 -0.229 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)C1=O ZINC001643118029 1071322946 /nfs/dbraw/zinc/32/29/46/1071322946.db2.gz HZKJVAVYSQGKRS-AWEZNQCLSA-N -1 0 390.318 -0.367 20 30 GBEDRM C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)C1=O ZINC001643118030 1071322049 /nfs/dbraw/zinc/32/20/49/1071322049.db2.gz HZKJVAVYSQGKRS-CQSZACIVSA-N -1 0 390.318 -0.367 20 30 GBEDRM Cn1c(=O)[n-]c(N2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)c(C#N)c1=O ZINC001643291248 1071328784 /nfs/dbraw/zinc/32/87/84/1071328784.db2.gz HLLOHJGFVOZESF-NOZJJQNGSA-N -1 0 392.359 -0.109 20 30 GBEDRM CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001643330298 1071330239 /nfs/dbraw/zinc/33/02/39/1071330239.db2.gz JGVQUGZUJBHLGZ-OAHLLOKOSA-N -1 0 381.392 -0.090 20 30 GBEDRM CN(CCCN1C(=O)c2ccccc2C1=O)C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001643339319 1071330909 /nfs/dbraw/zinc/33/09/09/1071330909.db2.gz JSDYMXMOXLHLKQ-UHFFFAOYSA-N -1 0 395.375 -0.035 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(C(=O)c2nn(-c3ccccc3)cc2[O-])CC1 ZINC001643372395 1071332954 /nfs/dbraw/zinc/33/29/54/1071332954.db2.gz JOILJRDWKYAVAY-UHFFFAOYSA-N -1 0 389.437 -0.197 20 30 GBEDRM N#Cc1cn(CC(=O)N2CC(c3ncc(Br)cn3)C2)c(=O)[n-]c1=O ZINC001644123946 1071361744 /nfs/dbraw/zinc/36/17/44/1071361744.db2.gz SHWUQUNAWQDLOD-UHFFFAOYSA-N -1 0 391.185 -0.001 20 30 GBEDRM N#Cc1cn(CC(=O)NCC(=O)c2ccc(Br)cn2)c(=O)[n-]c1=O ZINC001644691896 1071388772 /nfs/dbraw/zinc/38/87/72/1071388772.db2.gz WGNZEPRDPWKZJK-UHFFFAOYSA-N -1 0 392.169 -0.023 20 30 GBEDRM N#Cc1cn(CCC(=O)N2CC3(CCOCC3)CC[C@H]2CO)c(=O)[n-]c1=O ZINC001645092546 1071407599 /nfs/dbraw/zinc/40/75/99/1071407599.db2.gz VTADWWUVLWMHPP-AWEZNQCLSA-N -1 0 376.413 -0.009 20 30 GBEDRM N#Cc1cn(CCC(=O)N2CC3(CCOCC3)CC[C@@H]2CO)c(=O)[n-]c1=O ZINC001645092556 1071407510 /nfs/dbraw/zinc/40/75/10/1071407510.db2.gz VTADWWUVLWMHPP-CQSZACIVSA-N -1 0 376.413 -0.009 20 30 GBEDRM N#Cc1cn(CCC(=O)NCCN2Cc3ccccc3OCC2=O)c(=O)[n-]c1=O ZINC001645157514 1071409673 /nfs/dbraw/zinc/40/96/73/1071409673.db2.gz BSIRIVMTPNQJJT-UHFFFAOYSA-N -1 0 397.391 -0.252 20 30 GBEDRM C#CCN1CCC[C@H](NC(=O)c2[n-]n(-c3nc(C)cc(C)n3)c(=O)c2CCO)C1 ZINC001645274685 1071415675 /nfs/dbraw/zinc/41/56/75/1071415675.db2.gz TYKUZCJOHQSMNV-HNNXBMFYSA-N -1 0 398.467 -0.065 20 30 GBEDRM C#CCN1CCC[C@@H](NC(=O)c2[n-]n(-c3nc(C)cc(C)n3)c(=O)c2CCO)C1 ZINC001645274686 1071415751 /nfs/dbraw/zinc/41/57/51/1071415751.db2.gz TYKUZCJOHQSMNV-OAHLLOKOSA-N -1 0 398.467 -0.065 20 30 GBEDRM N#Cc1cn(CC(=O)Nc2n[nH]cc2I)c(=O)[n-]c1=O ZINC001646059386 1071438363 /nfs/dbraw/zinc/43/83/63/1071438363.db2.gz FYGSVNNCEPHVER-UHFFFAOYSA-N -1 0 386.109 -0.213 20 30 GBEDRM CN(C)[C@]1(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)COc2ccccc2C1 ZINC001646147489 1071441677 /nfs/dbraw/zinc/44/16/77/1071441677.db2.gz JHAGBIYWADIDDJ-IBGZPJMESA-N -1 0 383.408 -0.128 20 30 GBEDRM CN(C)[C@@]1(C(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)COc2ccccc2C1 ZINC001646147490 1071441814 /nfs/dbraw/zinc/44/18/14/1071441814.db2.gz JHAGBIYWADIDDJ-LJQANCHMSA-N -1 0 383.408 -0.128 20 30 GBEDRM N#Cc1cn(CCNC(=O)C2CCN(C(=O)N3CCCC3)CC2)c(=O)[n-]c1=O ZINC001646147585 1071441616 /nfs/dbraw/zinc/44/16/16/1071441616.db2.gz LHLVZCSNTPMOKQ-UHFFFAOYSA-N -1 0 388.428 -0.135 20 30 GBEDRM N#Cc1cn(CCNC(=O)c2cccn2CCN2CCOCC2)c(=O)[n-]c1=O ZINC001646148477 1071442099 /nfs/dbraw/zinc/44/20/99/1071442099.db2.gz UHWDTILPBPOQKC-UHFFFAOYSA-N -1 0 386.412 -0.616 20 30 GBEDRM Cc1c(Br)cnn1CC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001646148755 1071441569 /nfs/dbraw/zinc/44/15/69/1071441569.db2.gz VWQMAOMLLNWKMG-UHFFFAOYSA-N -1 0 381.190 -0.096 20 30 GBEDRM N#Cc1cn(CCNC(=O)c2cccn(CC(F)(F)F)c2=O)c(=O)[n-]c1=O ZINC001646148954 1071441991 /nfs/dbraw/zinc/44/19/91/1071441991.db2.gz XQQDOXLHWPJAHO-UHFFFAOYSA-N -1 0 383.286 -0.025 20 30 GBEDRM CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001646148981 1071441802 /nfs/dbraw/zinc/44/18/02/1071441802.db2.gz YJOBIYRAFAPGRC-LLVKDONJSA-N -1 0 379.442 -0.116 20 30 GBEDRM CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001646148983 1071441667 /nfs/dbraw/zinc/44/16/67/1071441667.db2.gz YJOBIYRAFAPGRC-NSHDSACASA-N -1 0 379.442 -0.116 20 30 GBEDRM C[C@H]1Oc2ccccc2N(CC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1=O ZINC001646149025 1071441830 /nfs/dbraw/zinc/44/18/30/1071441830.db2.gz ZNJRPTZCGZDJJH-LLVKDONJSA-N -1 0 383.364 -0.249 20 30 GBEDRM C[C@@H]1Oc2ccccc2N(CC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)C1=O ZINC001646149026 1071441835 /nfs/dbraw/zinc/44/18/35/1071441835.db2.gz ZNJRPTZCGZDJJH-NSHDSACASA-N -1 0 383.364 -0.249 20 30 GBEDRM Cn1cccc1C(=O)N1CCN(C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)CC1 ZINC001646284047 1071445092 /nfs/dbraw/zinc/44/50/92/1071445092.db2.gz ZVWXLMVMWAKLDY-UHFFFAOYSA-N -1 0 384.396 -0.466 20 30 GBEDRM N#Cc1cn(CCC(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c(=O)[n-]c1=O ZINC001647902697 1071458720 /nfs/dbraw/zinc/45/87/20/1071458720.db2.gz GUBVNMGDHYKQAC-LSDHHAIUSA-N -1 0 396.407 -0.412 20 30 GBEDRM Cn1ncc(Br)c1CC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1 ZINC001648028721 1071465496 /nfs/dbraw/zinc/46/54/96/1071465496.db2.gz LNQRJLUMACHPRV-UHFFFAOYSA-N -1 0 393.201 -0.057 20 30 GBEDRM COC(=O)[C@@H]1CO[C@H](CCC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)C1 ZINC001648028824 1071465453 /nfs/dbraw/zinc/46/54/53/1071465453.db2.gz PHTAGYAFUARWTR-GXFFZTMASA-N -1 0 376.369 -0.438 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)CN3CCCC4(CC4)S3(=O)=O)C2)c(=O)[n-]c1=O ZINC001648028997 1071465213 /nfs/dbraw/zinc/46/52/13/1071465213.db2.gz UYQKGNYDJGPFJP-UHFFFAOYSA-N -1 0 393.425 -0.838 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)CNC(=O)c3ccc(F)c(F)c3)C2)c(=O)[n-]c1=O ZINC001648029002 1071465245 /nfs/dbraw/zinc/46/52/45/1071465245.db2.gz VDWGMPKNTAHHFI-UHFFFAOYSA-N -1 0 389.318 -0.088 20 30 GBEDRM CO[N-]C(=O)CNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001648136451 1071470142 /nfs/dbraw/zinc/47/01/42/1071470142.db2.gz VMGSVXBNZQTHCU-GFCCVEGCSA-N -1 0 382.442 -0.066 20 30 GBEDRM CO[N-]C(=O)CNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001648136452 1071470172 /nfs/dbraw/zinc/47/01/72/1071470172.db2.gz VMGSVXBNZQTHCU-LBPRGKRZSA-N -1 0 382.442 -0.066 20 30 GBEDRM COC(=O)[C@@H]1c2ccccc2OCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001648217360 1071474755 /nfs/dbraw/zinc/47/47/55/1071474755.db2.gz RCQDGJLONGZCLM-HNNXBMFYSA-N -1 0 384.348 -0.044 20 30 GBEDRM COC(=O)[C@H]1c2ccccc2OCCN1C(=O)Cn1cc(C#N)c(=O)[n-]c1=O ZINC001648217361 1071474471 /nfs/dbraw/zinc/47/44/71/1071474471.db2.gz RCQDGJLONGZCLM-OAHLLOKOSA-N -1 0 384.348 -0.044 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)CNC(=O)c3cc(F)cc(F)c3)C2)c(=O)[n-]c1=O ZINC001648790234 1072231969 /nfs/dbraw/zinc/23/19/69/1072231969.db2.gz BLSXDBJXHPAHOJ-UHFFFAOYSA-N -1 0 389.318 -0.088 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)c3cc(N4CCOCC4)ccn3)C2)c(=O)[n-]c1=O ZINC001648790285 1072232138 /nfs/dbraw/zinc/23/21/38/1072232138.db2.gz DLGFXTHXRJCXFT-UHFFFAOYSA-N -1 0 382.380 -0.251 20 30 GBEDRM COC(=O)CC[C@@H]1CC[C@H](C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)O1 ZINC001648790350 1072232783 /nfs/dbraw/zinc/23/27/83/1072232783.db2.gz FZFAXOCGXYEJFL-QWHCGFSZSA-N -1 0 376.369 -0.295 20 30 GBEDRM CS(=O)(=O)C1CCC(C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)CC1 ZINC001648790402 1072233185 /nfs/dbraw/zinc/23/31/85/1072233185.db2.gz HQYZHXPPALICNQ-UHFFFAOYSA-N -1 0 380.426 -0.193 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)c3cccn3CCN3CCOCC3)C2)c(=O)[n-]c1=O ZINC001648790513 1072232860 /nfs/dbraw/zinc/23/28/60/1072232860.db2.gz LGDGKYBCQIAKIF-UHFFFAOYSA-N -1 0 398.423 -0.349 20 30 GBEDRM CCOC(=O)C1(CC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)CCOCC1 ZINC001648790517 1072233031 /nfs/dbraw/zinc/23/30/31/1072233031.db2.gz LIGCDUHECXIKNB-UHFFFAOYSA-N -1 0 390.396 -0.046 20 30 GBEDRM C[C@@]1(C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)Oc2ccccc2NC1=O ZINC001648790779 1072234566 /nfs/dbraw/zinc/23/45/66/1072234566.db2.gz UMKRFXGEKZATQQ-GOSISDBHSA-N -1 0 381.348 -0.006 20 30 GBEDRM C[C@]1(C(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)Oc2ccccc2NC1=O ZINC001648790780 1072234774 /nfs/dbraw/zinc/23/47/74/1072234774.db2.gz UMKRFXGEKZATQQ-SFHVURJKSA-N -1 0 381.348 -0.006 20 30 GBEDRM CCOC(=O)[C@@H]1CCCN(CC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)C1 ZINC001648790911 1072235941 /nfs/dbraw/zinc/23/59/41/1072235941.db2.gz YWGXNCZAXSBOFH-GFCCVEGCSA-N -1 0 389.412 -0.521 20 30 GBEDRM CCOC(=O)[C@H]1CCCN(CC(=O)N2CC(n3cc(C#N)c(=O)[n-]c3=O)C2)C1 ZINC001648790912 1072235587 /nfs/dbraw/zinc/23/55/87/1072235587.db2.gz YWGXNCZAXSBOFH-LBPRGKRZSA-N -1 0 389.412 -0.521 20 30 GBEDRM CC(C)(C)OC(=O)CN1CCC(NC(=O)Cn2cc(C#N)c(=O)[n-]c2=O)CC1 ZINC001648920914 1072594379 /nfs/dbraw/zinc/59/43/79/1072594379.db2.gz YBLPCRCITXQNQH-UHFFFAOYSA-N -1 0 391.428 -0.257 20 30 GBEDRM C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(c3[n-]c(=O)n(C)c(=O)c3C#N)CC2)C1 ZINC001649446429 1071498508 /nfs/dbraw/zinc/49/85/08/1071498508.db2.gz NGVYUOCJJHOHNE-KBPBESRZSA-N -1 0 388.472 -0.428 20 30 GBEDRM C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(c3[n-]c(=O)n(C)c(=O)c3C#N)CC2)C1 ZINC001649446715 1071498567 /nfs/dbraw/zinc/49/85/67/1071498567.db2.gz NGVYUOCJJHOHNE-OKILXGFUSA-N -1 0 388.472 -0.428 20 30 GBEDRM C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3[n-]c(=O)n(C)c(=O)c3C#N)CC2)C1 ZINC001649446718 1071498625 /nfs/dbraw/zinc/49/86/25/1071498625.db2.gz NGVYUOCJJHOHNE-ZIAGYGMSSA-N -1 0 388.472 -0.428 20 30 GBEDRM Cn1c(=O)[n-]c(N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C#N)c1=O ZINC001650317887 1071500121 /nfs/dbraw/zinc/50/01/21/1071500121.db2.gz WMOQDDZNIKVWNN-UHFFFAOYSA-N -1 0 375.410 -0.544 20 30 GBEDRM CN1CCN(C(=O)c2ccc(CNc3[n-]c(=O)n(C)c(=O)c3C#N)cc2)CC1 ZINC001650627964 1071500263 /nfs/dbraw/zinc/50/02/63/1071500263.db2.gz WWOZRHBGTJKEBP-UHFFFAOYSA-N -1 0 382.424 -0.055 20 30 GBEDRM Cn1c(=O)[n-]c(NC2CCN(S(=O)(=O)C3CCOCC3)CC2)c(C#N)c1=O ZINC001650768873 1071504465 /nfs/dbraw/zinc/50/44/65/1071504465.db2.gz ATGKUSRMHDRICG-UHFFFAOYSA-N -1 0 397.457 -0.670 20 30 GBEDRM Cn1c(=O)[n-]c(N2CC(S(=O)(=O)N3CCc4ccccc43)C2)c(C#N)c1=O ZINC001650904777 1071509079 /nfs/dbraw/zinc/50/90/79/1071509079.db2.gz RIVULCBWILLPHI-UHFFFAOYSA-N -1 0 387.421 -0.474 20 30 GBEDRM Cn1c(=O)[n-]c(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(C#N)c1=O ZINC001651288722 1071520690 /nfs/dbraw/zinc/52/06/90/1071520690.db2.gz YUUKDVYPMRNYDY-UHFFFAOYSA-N -1 0 393.400 -0.405 20 30 GBEDRM Cn1c(=O)[n-]c(N2CC[C@]3(C2)CN(Cc2ccccc2)C(=O)CO3)c(C#N)c1=O ZINC001651361769 1071521501 /nfs/dbraw/zinc/52/15/01/1071521501.db2.gz URERVTZHHFAOAO-FQEVSTJZSA-N -1 0 395.419 -0.047 20 30 GBEDRM Cn1c(=O)[n-]c(N2CC[C@@]3(C2)CN(Cc2ccccc2)C(=O)CO3)c(C#N)c1=O ZINC001651361785 1071521648 /nfs/dbraw/zinc/52/16/48/1071521648.db2.gz URERVTZHHFAOAO-HXUWFJFHSA-N -1 0 395.419 -0.047 20 30 GBEDRM COc1cccc(CC(=O)N2CCN(c3[n-]c(=O)n(C)c(=O)c3C#N)CC2)c1 ZINC001651443728 1071523624 /nfs/dbraw/zinc/52/36/24/1071523624.db2.gz DYBCLAIEFSGHAY-UHFFFAOYSA-N -1 0 383.408 -0.155 20 30 GBEDRM Cn1c(=O)[n-]c(NCCNS(=O)(=O)c2cccc(Cl)c2)c(C#N)c1=O ZINC001651457338 1071523730 /nfs/dbraw/zinc/52/37/30/1071523730.db2.gz PHEHGPWVZGBMTR-UHFFFAOYSA-N -1 0 383.817 -0.011 20 30 GBEDRM CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)c2[n-]c(=O)n(C)c(=O)c2C#N)C1 ZINC001651462938 1071523516 /nfs/dbraw/zinc/52/35/16/1071523516.db2.gz WMCRNVQSTUNJRV-LLVKDONJSA-N -1 0 377.401 -0.817 20 30 GBEDRM CCOC(=O)[C@H]1CCCN(C(=O)CN(C)c2[n-]c(=O)n(C)c(=O)c2C#N)C1 ZINC001651462939 1071523772 /nfs/dbraw/zinc/52/37/72/1071523772.db2.gz WMCRNVQSTUNJRV-NSHDSACASA-N -1 0 377.401 -0.817 20 30 GBEDRM Cn1c(=O)[n-]c(N2CCN(C3CN(C(=O)OC(C)(C)C)C3)CC2)c(C#N)c1=O ZINC001651514669 1071524224 /nfs/dbraw/zinc/52/42/24/1071524224.db2.gz FJYRJRFOTPEGRP-UHFFFAOYSA-N -1 0 390.444 -0.313 20 30 GBEDRM Cn1c(=O)[n-]c(N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)c(C#N)c1=O ZINC001651723273 1071527420 /nfs/dbraw/zinc/52/74/20/1071527420.db2.gz RFFCXYPIAYNZRJ-HNNXBMFYSA-N -1 0 383.408 -0.173 20 30 GBEDRM Cn1c(=O)[n-]c(N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)c(C#N)c1=O ZINC001651723274 1071527525 /nfs/dbraw/zinc/52/75/25/1071527525.db2.gz RFFCXYPIAYNZRJ-OAHLLOKOSA-N -1 0 383.408 -0.173 20 30 GBEDRM COCCS(=O)(=O)c1ccc(CNc2[n-]c(=O)n(C)c(=O)c2C#N)cc1 ZINC001651742074 1071527617 /nfs/dbraw/zinc/52/76/17/1071527617.db2.gz WBURQUGXJYTQNE-UHFFFAOYSA-N -1 0 378.410 -0.023 20 30 GBEDRM CNS(=O)(=O)c1cccc2c1CCN(c1[n-]c(=O)n(C)c(=O)c1C#N)C2 ZINC001651843169 1071529872 /nfs/dbraw/zinc/52/98/72/1071529872.db2.gz PPBYBWMTWHCRJZ-UHFFFAOYSA-N -1 0 375.410 -0.584 20 30 GBEDRM COC[C@@H]1CC[C@@H]([C@@H]2COCCN2C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)O1 ZINC001652425062 1071539354 /nfs/dbraw/zinc/53/93/54/1071539354.db2.gz DWQBPDIALCEPRM-KKUMJFAQSA-N -1 0 392.412 -0.368 20 30 GBEDRM COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)O1 ZINC001652425063 1071539308 /nfs/dbraw/zinc/53/93/08/1071539308.db2.gz DWQBPDIALCEPRM-RRFJBIMHSA-N -1 0 392.412 -0.368 20 30 GBEDRM COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)O1 ZINC001652425064 1071539364 /nfs/dbraw/zinc/53/93/64/1071539364.db2.gz DWQBPDIALCEPRM-SOUVJXGZSA-N -1 0 392.412 -0.368 20 30 GBEDRM COC[C@@H]1CC[C@@H]([C@H]2COCCN2C(=O)CCn2cc(C#N)c(=O)[n-]c2=O)O1 ZINC001652425065 1071539167 /nfs/dbraw/zinc/53/91/67/1071539167.db2.gz DWQBPDIALCEPRM-ZNMIVQPWSA-N -1 0 392.412 -0.368 20 30 GBEDRM CC(C)(C)OC(=O)N1CC2(C1)C[C@H](Cn1c(=O)[n-]cc(C#N)c1=O)OC2=O ZINC001652909772 1071547863 /nfs/dbraw/zinc/54/78/63/1071547863.db2.gz YIVUXWMWGLHCNQ-LLVKDONJSA-N -1 0 376.369 -0.039 20 30 GBEDRM CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](Cn1c(=O)[n-]cc(C#N)c1=O)OC2=O ZINC001652909773 1071547754 /nfs/dbraw/zinc/54/77/54/1071547754.db2.gz YIVUXWMWGLHCNQ-NSHDSACASA-N -1 0 376.369 -0.039 20 30 GBEDRM N#Cc1cn(CCC(=O)N2CCCS(=O)(=O)C[C@@H]2C2CC2)c(=O)[n-]c1=O ZINC001652975997 1071549223 /nfs/dbraw/zinc/54/92/23/1071549223.db2.gz OPTWVPUUVXXKFO-CYBMUJFWSA-N -1 0 380.426 -0.364 20 30 GBEDRM N#Cc1cn(CCC(=O)N2CCCS(=O)(=O)C[C@H]2C2CC2)c(=O)[n-]c1=O ZINC001652976000 1071549310 /nfs/dbraw/zinc/54/93/10/1071549310.db2.gz OPTWVPUUVXXKFO-ZDUSSCGKSA-N -1 0 380.426 -0.364 20 30 GBEDRM N#Cc1cn(CC(=O)N[C@@H]2CCc3ncc(Br)n3C2)c(=O)[n-]c1=O ZINC001653640281 1071562206 /nfs/dbraw/zinc/56/22/06/1071562206.db2.gz UFKWPDZRFUIHRT-SECBINFHSA-N -1 0 393.201 -0.089 20 30 GBEDRM N#Cc1cn(CC(=O)N[C@H]2CCc3ncc(Br)n3C2)c(=O)[n-]c1=O ZINC001653640282 1071562760 /nfs/dbraw/zinc/56/27/60/1071562760.db2.gz UFKWPDZRFUIHRT-VIFPVBQESA-N -1 0 393.201 -0.089 20 30 GBEDRM CO[C@](C)(C(=O)OC(C)(C)C)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1 ZINC001653759720 1071565035 /nfs/dbraw/zinc/56/50/35/1071565035.db2.gz HVRNDHFDWNWALK-KRWDZBQOSA-N -1 0 378.385 -0.049 20 30 GBEDRM CO[C@@](C)(C(=O)OC(C)(C)C)C(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1 ZINC001653759721 1071565389 /nfs/dbraw/zinc/56/53/89/1071565389.db2.gz HVRNDHFDWNWALK-QGZVFWFLSA-N -1 0 378.385 -0.049 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)[C@H]3CC34CCS(=O)(=O)CC4)C2)c(=O)[n-]c1=O ZINC001653759853 1071565076 /nfs/dbraw/zinc/56/50/76/1071565076.db2.gz KOIVQYKCTMQZQB-GFCCVEGCSA-N -1 0 378.410 -0.581 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)[C@@H]3CC34CCS(=O)(=O)CC4)C2)c(=O)[n-]c1=O ZINC001653759854 1071565243 /nfs/dbraw/zinc/56/52/43/1071565243.db2.gz KOIVQYKCTMQZQB-LBPRGKRZSA-N -1 0 378.410 -0.581 20 30 GBEDRM C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC001654308704 1071575079 /nfs/dbraw/zinc/57/50/79/1071575079.db2.gz MWXAPLAXBMOINC-UHFFFAOYSA-N -1 0 396.425 -0.254 20 30 GBEDRM Cn1c(=O)[n-]c(N2CCN(C(=O)COc3ccc(F)cc3)CC2)c(C#N)c1=O ZINC001654975137 1071588368 /nfs/dbraw/zinc/58/83/68/1071588368.db2.gz XFEIQRNISIAOLR-UHFFFAOYSA-N -1 0 387.371 -0.188 20 30 GBEDRM Cn1c(=O)[n-]c(N2CCN(CC(=O)N3CCc4ccccc43)CC2)c(C#N)c1=O ZINC001654985572 1071588275 /nfs/dbraw/zinc/58/82/75/1071588275.db2.gz LHYNFZJQPQTDIZ-UHFFFAOYSA-N -1 0 394.435 -0.343 20 30 GBEDRM COc1ccccc1NC(=O)CN1CCN(c2[n-]c(=O)n(C)c(=O)c2C#N)CC1 ZINC001655308800 1071592239 /nfs/dbraw/zinc/59/22/39/1071592239.db2.gz SYEUFKVMDMWMAL-UHFFFAOYSA-N -1 0 398.423 -0.285 20 30 GBEDRM Cn1c(=O)[n-]c(N2CCN(CC(=O)Nc3ccccc3F)CC2)c(C#N)c1=O ZINC001655346668 1071593093 /nfs/dbraw/zinc/59/30/93/1071593093.db2.gz RTKCMJOGIBAXCJ-UHFFFAOYSA-N -1 0 386.387 -0.155 20 30 GBEDRM CNC(=O)c1cc(O[C@@H]2CCCN(c3[n-]c(=O)n(C)c(=O)c3C#N)C2)ccn1 ZINC001655614290 1071597009 /nfs/dbraw/zinc/59/70/09/1071597009.db2.gz BELGDOJXIPXQIH-GFCCVEGCSA-N -1 0 384.396 -0.252 20 30 GBEDRM CNC(=O)c1cc(O[C@H]2CCCN(c3[n-]c(=O)n(C)c(=O)c3C#N)C2)ccn1 ZINC001655614291 1071597050 /nfs/dbraw/zinc/59/70/50/1071597050.db2.gz BELGDOJXIPXQIH-LBPRGKRZSA-N -1 0 384.396 -0.252 20 30 GBEDRM N#C[C@]12CN(CC3=Nc4ccccc4S(=O)(=O)[N-]3)C[C@H]1CS(=O)(=O)C2 ZINC001655770535 1071600421 /nfs/dbraw/zinc/60/04/21/1071600421.db2.gz INHLBZOPYGJCFZ-XHDPSFHLSA-N -1 0 380.451 -0.121 20 30 GBEDRM COc1ccc(S(=O)(=O)NCC#CCO)c([N-]S(=O)(=O)C(F)F)c1 ZINC001655842970 1071600976 /nfs/dbraw/zinc/60/09/76/1071600976.db2.gz GNBLUIGCIWIIIJ-UHFFFAOYSA-N -1 0 384.382 -0.067 20 30 GBEDRM CN1CCc2ccc(S(=O)(=O)NCCn3cc(C#N)c(=O)[n-]c3=O)cc21 ZINC001656067008 1071604017 /nfs/dbraw/zinc/60/40/17/1071604017.db2.gz FAGXNCCNDPDGIS-UHFFFAOYSA-N -1 0 375.410 -0.209 20 30 GBEDRM N#C[C@@]12CN(CC3=Nc4ccccc4S(=O)(=O)[N-]3)C[C@H]1CS(=O)(=O)C2 ZINC001660309648 1071641171 /nfs/dbraw/zinc/64/11/71/1071641171.db2.gz INHLBZOPYGJCFZ-NHYWBVRUSA-N -1 0 380.451 -0.121 20 30 GBEDRM C#CCCS(=O)(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001663467579 1071684980 /nfs/dbraw/zinc/68/49/80/1071684980.db2.gz AOSRKWJSCPZQQZ-UHFFFAOYSA-N -1 0 377.410 -0.210 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)NCCCOC[C@@H]3CCCO3)C2)c(=O)[n-]c1=O ZINC001666790757 1071754496 /nfs/dbraw/zinc/75/44/96/1071754496.db2.gz HZMHJNRFMOIAJD-AWEZNQCLSA-N -1 0 377.401 -0.027 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)NCCCOC[C@H]3CCCO3)C2)c(=O)[n-]c1=O ZINC001666790758 1071754449 /nfs/dbraw/zinc/75/44/49/1071754449.db2.gz HZMHJNRFMOIAJD-CQSZACIVSA-N -1 0 377.401 -0.027 20 30 GBEDRM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC001670029706 1071788519 /nfs/dbraw/zinc/78/85/19/1071788519.db2.gz AKMBVQYRPAHIAE-AXFHLTTASA-N -1 0 384.380 -0.013 20 30 GBEDRM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC001670029707 1071788211 /nfs/dbraw/zinc/78/82/11/1071788211.db2.gz AKMBVQYRPAHIAE-DCAQKATOSA-N -1 0 384.380 -0.013 20 30 GBEDRM N#Cc1cn(CCNS(=O)(=O)CCOCc2ccccc2)c(=O)[n-]c1=O ZINC001670465746 1072377416 /nfs/dbraw/zinc/37/74/16/1072377416.db2.gz PCAPMPWHBSASSP-UHFFFAOYSA-N -1 0 378.410 -0.043 20 30 GBEDRM CO[C@@H](Cc1ccccc1)CS(=O)(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001670465765 1072378922 /nfs/dbraw/zinc/37/89/22/1072378922.db2.gz PUHDJABJJDRCBT-HNNXBMFYSA-N -1 0 392.437 -0.002 20 30 GBEDRM CO[C@H](Cc1ccccc1)CS(=O)(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001670465766 1072379965 /nfs/dbraw/zinc/37/99/65/1072379965.db2.gz PUHDJABJJDRCBT-OAHLLOKOSA-N -1 0 392.437 -0.002 20 30 GBEDRM N#Cc1cn(CCNS(=O)(=O)CCc2ccc3c(c2)CCO3)c(=O)[n-]c1=O ZINC001670465785 1072379904 /nfs/dbraw/zinc/37/99/04/1072379904.db2.gz QLFCVSJWLZMRMK-UHFFFAOYSA-N -1 0 390.421 -0.082 20 30 GBEDRM C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc([O-])cc(F)c2)CC1 ZINC001671154906 1070967438 /nfs/dbraw/zinc/96/74/38/1070967438.db2.gz SQTWMTKLNRDSLP-UHFFFAOYSA-N -1 0 377.419 -0.695 20 30 GBEDRM C#CC[C@H](CO)NC(=O)NCCN=c1ncnc2n(C)[n-]c(Br)c1-2 ZINC001678394482 1071875916 /nfs/dbraw/zinc/87/59/16/1071875916.db2.gz PVVFUVXMLJSTFU-SECBINFHSA-N -1 0 396.249 -0.405 20 30 GBEDRM C#CC[C@@H](CO)NC(=O)NCCN=c1ncnc2n(C)[n-]c(Br)c1-2 ZINC001678394483 1071876004 /nfs/dbraw/zinc/87/60/04/1071876004.db2.gz PVVFUVXMLJSTFU-VIFPVBQESA-N -1 0 396.249 -0.405 20 30 GBEDRM N#Cc1cn(CCNC(=O)N[C@@H]2CCN(c3ncccc3F)C2)c(=O)[n-]c1=O ZINC001680273385 1071902121 /nfs/dbraw/zinc/90/21/21/1071902121.db2.gz ZWIIRQQMDVNOFH-GFCCVEGCSA-N -1 0 387.375 -0.067 20 30 GBEDRM N#Cc1cn(CCNC(=O)N[C@H]2CCN(c3ncccc3F)C2)c(=O)[n-]c1=O ZINC001680273386 1071902344 /nfs/dbraw/zinc/90/23/44/1071902344.db2.gz ZWIIRQQMDVNOFH-LBPRGKRZSA-N -1 0 387.375 -0.067 20 30 GBEDRM CN(C)Cc1csc(CNC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)n1 ZINC001684189347 1071969449 /nfs/dbraw/zinc/96/94/49/1071969449.db2.gz FMPFTCYOKMWZFI-UHFFFAOYSA-N -1 0 377.430 -0.162 20 30 GBEDRM COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)N3CC(n4cc(C#N)c(=O)[n-]c4=O)C3)[C@@H]2C1 ZINC001684440444 1071976051 /nfs/dbraw/zinc/97/60/51/1071976051.db2.gz OGWIYMSLLPIEMP-MHWZDGSBSA-N -1 0 387.396 -0.025 20 30 GBEDRM COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)N3CC(n4cc(C#N)c(=O)[n-]c4=O)C3)[C@@H]2C1 ZINC001684440445 1071976061 /nfs/dbraw/zinc/97/60/61/1071976061.db2.gz OGWIYMSLLPIEMP-QOBDMFJFSA-N -1 0 387.396 -0.025 20 30 GBEDRM Cn1ncc(Br)c1CNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O ZINC001684645499 1071983959 /nfs/dbraw/zinc/98/39/59/1071983959.db2.gz KUZMWIVMSXJREA-UHFFFAOYSA-N -1 0 396.205 -0.184 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)NC[C@@H]3CC4(CO3)CCOCC4)C2)c(=O)[n-]c1=O ZINC001684780097 1071987815 /nfs/dbraw/zinc/98/78/15/1071987815.db2.gz WPCUCGIAZZLZOW-AWEZNQCLSA-N -1 0 389.412 -0.027 20 30 GBEDRM N#Cc1cn(C2CN(C(=O)NC[C@H]3CC4(CO3)CCOCC4)C2)c(=O)[n-]c1=O ZINC001684780098 1071987972 /nfs/dbraw/zinc/98/79/72/1071987972.db2.gz WPCUCGIAZZLZOW-CQSZACIVSA-N -1 0 389.412 -0.027 20 30 GBEDRM N#Cc1cn(CCNC(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)c(=O)[n-]c1=O ZINC001685384456 1072002847 /nfs/dbraw/zinc/00/28/47/1072002847.db2.gz GKQWNJGXMUZNDY-CABCVRRESA-N -1 0 390.444 -0.237 20 30 GBEDRM N#Cc1cn(CCNC(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)c(=O)[n-]c1=O ZINC001685384457 1072002876 /nfs/dbraw/zinc/00/28/76/1072002876.db2.gz GKQWNJGXMUZNDY-GJZGRUSLSA-N -1 0 390.444 -0.237 20 30 GBEDRM N#Cc1cn(CCNC(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)c(=O)[n-]c1=O ZINC001685384458 1072002975 /nfs/dbraw/zinc/00/29/75/1072002975.db2.gz GKQWNJGXMUZNDY-HUUCEWRRSA-N -1 0 390.444 -0.237 20 30 GBEDRM N#Cc1cn(CCNC(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)c(=O)[n-]c1=O ZINC001685384459 1072003093 /nfs/dbraw/zinc/00/30/93/1072003093.db2.gz GKQWNJGXMUZNDY-LSDHHAIUSA-N -1 0 390.444 -0.237 20 30 GBEDRM Cn1cc([C@]2(CNC(=O)N3CC(n4cc(C#N)c(=O)[n-]c4=O)C3)CCCO2)cn1 ZINC001685569522 1072008056 /nfs/dbraw/zinc/00/80/56/1072008056.db2.gz GKZMSWMHWPDPNA-GOSISDBHSA-N -1 0 399.411 -0.174 20 30 GBEDRM Cn1cc([C@@]2(CNC(=O)N3CC(n4cc(C#N)c(=O)[n-]c4=O)C3)CCCO2)cn1 ZINC001685569523 1072008271 /nfs/dbraw/zinc/00/82/71/1072008271.db2.gz GKZMSWMHWPDPNA-SFHVURJKSA-N -1 0 399.411 -0.174 20 30 GBEDRM C#CCOCCNC(=O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC001685864626 1072014347 /nfs/dbraw/zinc/01/43/47/1072014347.db2.gz GOIAFHHAVKZGBM-UHFFFAOYSA-N -1 0 386.396 -0.204 20 30 GBEDRM C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001685874789 1072014282 /nfs/dbraw/zinc/01/42/82/1072014282.db2.gz OJXMLERWSFVCRC-SYQHCUMBSA-N -1 0 393.444 -0.119 20 30 GBEDRM CC(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001685998515 1072021320 /nfs/dbraw/zinc/02/13/20/1072021320.db2.gz HBUIWRWVOODYAQ-SNPRPXQTSA-N -1 0 382.424 -0.021 20 30 GBEDRM CCO[C@@H]1C[C@H](NC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)[C@@]12CCCO2 ZINC001686065442 1072027691 /nfs/dbraw/zinc/02/76/91/1072027691.db2.gz YONOSWHTRMZFSN-AHIWAGSCSA-N -1 0 377.401 -0.154 20 30 GBEDRM CCO[C@@H]1C[C@H](NC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)[C@]12CCCO2 ZINC001686065443 1072028043 /nfs/dbraw/zinc/02/80/43/1072028043.db2.gz YONOSWHTRMZFSN-OGHNNQOOSA-N -1 0 377.401 -0.154 20 30 GBEDRM CCO[C@@H]1C[C@@H](NC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)[C@]12CCCO2 ZINC001686065444 1072027728 /nfs/dbraw/zinc/02/77/28/1072027728.db2.gz YONOSWHTRMZFSN-PBFPGSCMSA-N -1 0 377.401 -0.154 20 30 GBEDRM CCO[C@@H]1C[C@@H](NC(=O)NCCn2cc(C#N)c(=O)[n-]c2=O)[C@@]12CCCO2 ZINC001686065445 1072028030 /nfs/dbraw/zinc/02/80/30/1072028030.db2.gz YONOSWHTRMZFSN-XNJGSVPQSA-N -1 0 377.401 -0.154 20 30 GBEDRM C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001686133439 1072033319 /nfs/dbraw/zinc/03/33/19/1072033319.db2.gz ZUAFXGUTTIZYDQ-RTXFEEFZSA-N -1 0 377.401 -0.334 20 30 GBEDRM N#Cc1cn(CCNC(=O)NCCn2cc(Br)cn2)c(=O)[n-]c1=O ZINC001686411908 1072046318 /nfs/dbraw/zinc/04/63/18/1072046318.db2.gz UBOMYAOZVGYRDA-UHFFFAOYSA-N -1 0 396.205 -0.221 20 30 GBEDRM C[C@@H](CNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001686905281 1072051844 /nfs/dbraw/zinc/05/18/44/1072051844.db2.gz XSHHMNGKZQYOAP-RWMBFGLXSA-N -1 0 378.433 -0.383 20 30 GBEDRM C[C@H](CNC(=O)NCCn1cc(C#N)c(=O)[n-]c1=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001686905282 1072051354 /nfs/dbraw/zinc/05/13/54/1072051354.db2.gz XSHHMNGKZQYOAP-UPJWGTAASA-N -1 0 378.433 -0.383 20 30 GBEDRM CC[C@H](CN1CCOCC1)NC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1 ZINC001687657836 1072055776 /nfs/dbraw/zinc/05/57/76/1072055776.db2.gz DJMYYSQUWDEHHB-CYBMUJFWSA-N -1 0 376.417 -0.502 20 30 GBEDRM CC[C@@H](CN1CCOCC1)NC(=O)N1CC(n2cc(C#N)c(=O)[n-]c2=O)C1 ZINC001687657837 1072055762 /nfs/dbraw/zinc/05/57/62/1072055762.db2.gz DJMYYSQUWDEHHB-ZDUSSCGKSA-N -1 0 376.417 -0.502 20 30 GBEDRM Cc1nnc(N2CCc3[n-]c(=O)c(C#N)cc3C2)n1CCNS(C)(=O)=O ZINC001693488656 1072089897 /nfs/dbraw/zinc/08/98/97/1072089897.db2.gz FYYYWRZMBNUDRE-UHFFFAOYSA-N -1 0 377.430 -0.329 20 30 GBEDRM Cc1nnc(N2CCc3[n-]c(=O)c(C#N)cc3C2)n1CC(=O)N1CCOCC1 ZINC001693489830 1072089646 /nfs/dbraw/zinc/08/96/46/1072089646.db2.gz NMNZFRPCLRCQQT-UHFFFAOYSA-N -1 0 383.412 -0.020 20 30 GBEDRM