smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1cccc(C[NH2+]C[C@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC001571299272 946246087 /nfs/dbraw/zinc/24/60/87/946246087.db2.gz QAPOITFALXFCAN-MRXNPFEDSA-N 0 3 390.451 1.851 20 30 GDEDHN C[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001571299859 946265021 /nfs/dbraw/zinc/26/50/21/946265021.db2.gz WSTNLCKQLUDVKW-XJKSGUPXSA-N 0 3 390.451 1.849 20 30 GDEDHN C[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001571299859 946265032 /nfs/dbraw/zinc/26/50/32/946265032.db2.gz WSTNLCKQLUDVKW-XJKSGUPXSA-N 0 3 390.451 1.849 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573285195 946770320 /nfs/dbraw/zinc/77/03/20/946770320.db2.gz DYEVJCNTWALOTM-JKSUJKDBSA-N 0 3 382.468 1.185 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573285195 946770326 /nfs/dbraw/zinc/77/03/26/946770326.db2.gz DYEVJCNTWALOTM-JKSUJKDBSA-N 0 3 382.468 1.185 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573285195 946770335 /nfs/dbraw/zinc/77/03/35/946770335.db2.gz DYEVJCNTWALOTM-JKSUJKDBSA-N 0 3 382.468 1.185 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573285195 946770344 /nfs/dbraw/zinc/77/03/44/946770344.db2.gz DYEVJCNTWALOTM-JKSUJKDBSA-N 0 3 382.468 1.185 20 30 GDEDHN C#Cc1ccc(C(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)nc1 ZINC001573287697 946846132 /nfs/dbraw/zinc/84/61/32/946846132.db2.gz KHSPQNBSNNHMGL-IBGZPJMESA-N 0 3 387.447 1.541 20 30 GDEDHN C#Cc1ccc(C(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)nc1 ZINC001573287697 946846144 /nfs/dbraw/zinc/84/61/44/946846144.db2.gz KHSPQNBSNNHMGL-IBGZPJMESA-N 0 3 387.447 1.541 20 30 GDEDHN C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)Cc3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC001573288573 946869884 /nfs/dbraw/zinc/86/98/84/946869884.db2.gz MXFHNFKVXVNJRE-LJQANCHMSA-N 0 3 387.447 1.590 20 30 GDEDHN C#Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC001573288573 946869892 /nfs/dbraw/zinc/86/98/92/946869892.db2.gz MXFHNFKVXVNJRE-LJQANCHMSA-N 0 3 387.447 1.590 20 30 GDEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)nc1 ZINC001573289641 946888738 /nfs/dbraw/zinc/88/87/38/946888738.db2.gz AIPJSFXKAKNAJD-SHTZXODSSA-N 0 3 391.410 1.433 20 30 GDEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)nc1 ZINC001573289641 946888751 /nfs/dbraw/zinc/88/87/51/946888751.db2.gz AIPJSFXKAKNAJD-SHTZXODSSA-N 0 3 391.410 1.433 20 30 GDEDHN C#Cc1ccc(C(=O)N2C[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)[C@@H](C)C2)cn1 ZINC001573289743 946891252 /nfs/dbraw/zinc/89/12/52/946891252.db2.gz PUFQYAGPFVNNHQ-LIRRHRJNSA-N 0 3 387.447 1.493 20 30 GDEDHN C#Cc1ccc(C(=O)N2C[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)[C@@H](C)C2)cn1 ZINC001573289743 946891259 /nfs/dbraw/zinc/89/12/59/946891259.db2.gz PUFQYAGPFVNNHQ-LIRRHRJNSA-N 0 3 387.447 1.493 20 30 GDEDHN C=C(Br)CNC[C@H]1CCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573293363 946954987 /nfs/dbraw/zinc/95/49/87/946954987.db2.gz UCAVUOZFTDEMIU-LLVKDONJSA-N 0 3 380.250 1.298 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC(CC[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573563484 946983690 /nfs/dbraw/zinc/98/36/90/946983690.db2.gz ADXOTQQQMCXEPL-CYBMUJFWSA-N 0 3 385.447 1.884 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC(CC[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001573563484 946983697 /nfs/dbraw/zinc/98/36/97/946983697.db2.gz ADXOTQQQMCXEPL-CYBMUJFWSA-N 0 3 385.447 1.884 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)C1 ZINC001573567917 947059632 /nfs/dbraw/zinc/05/96/32/947059632.db2.gz UXOJCUCNOPSQTD-DJJJIMSYSA-N 0 3 383.431 1.590 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)C1 ZINC001573567917 947059644 /nfs/dbraw/zinc/05/96/44/947059644.db2.gz UXOJCUCNOPSQTD-DJJJIMSYSA-N 0 3 383.431 1.590 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N[C@@H](C)CC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573309399 947198917 /nfs/dbraw/zinc/19/89/17/947198917.db2.gz IJQPRHWLKVFPEN-SGTLLEGYSA-N 0 3 376.436 1.317 20 30 GDEDHN C=C[C@](C)(O)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573309817 947211587 /nfs/dbraw/zinc/21/15/87/947211587.db2.gz OWYQZOLGGRITCB-YJYMSZOUSA-N 0 3 390.463 1.660 20 30 GDEDHN C=C[C@](C)(O)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573309817 947211598 /nfs/dbraw/zinc/21/15/98/947211598.db2.gz OWYQZOLGGRITCB-YJYMSZOUSA-N 0 3 390.463 1.660 20 30 GDEDHN C[C@@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1-c1nnn[n-]1 ZINC001573584625 947229425 /nfs/dbraw/zinc/22/94/25/947229425.db2.gz ZOSJNDDNIFIABN-DIECFANBSA-N 0 3 379.468 1.886 20 30 GDEDHN C[C@@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1-c1nnn[n-]1 ZINC001573584625 947229434 /nfs/dbraw/zinc/22/94/34/947229434.db2.gz ZOSJNDDNIFIABN-DIECFANBSA-N 0 3 379.468 1.886 20 30 GDEDHN C[C@@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1-c1nn[n-]n1 ZINC001573584625 947229444 /nfs/dbraw/zinc/22/94/44/947229444.db2.gz ZOSJNDDNIFIABN-DIECFANBSA-N 0 3 379.468 1.886 20 30 GDEDHN C[C@@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1-c1nn[n-]n1 ZINC001573584625 947229455 /nfs/dbraw/zinc/22/94/55/947229455.db2.gz ZOSJNDDNIFIABN-DIECFANBSA-N 0 3 379.468 1.886 20 30 GDEDHN C=CCCOCC(=O)N1CC[C@H](C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573336029 947498098 /nfs/dbraw/zinc/49/80/98/947498098.db2.gz HHGJZKVSYMYULW-CQSZACIVSA-N 0 3 388.447 1.537 20 30 GDEDHN C=CCCOCC(=O)N1CC[C@H](C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573336029 947498101 /nfs/dbraw/zinc/49/81/01/947498101.db2.gz HHGJZKVSYMYULW-CQSZACIVSA-N 0 3 388.447 1.537 20 30 GDEDHN C=CCOCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573343624 947562378 /nfs/dbraw/zinc/56/23/78/947562378.db2.gz RCWRTDQKROOFAA-NVXWUHKLSA-N 0 3 388.447 1.583 20 30 GDEDHN C=CCOCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573343624 947562389 /nfs/dbraw/zinc/56/23/89/947562389.db2.gz RCWRTDQKROOFAA-NVXWUHKLSA-N 0 3 388.447 1.583 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573350882 947604207 /nfs/dbraw/zinc/60/42/07/947604207.db2.gz KJWRJSWUBFVSRN-MRRJBJDNSA-N 0 3 388.447 1.581 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573350882 947604211 /nfs/dbraw/zinc/60/42/11/947604211.db2.gz KJWRJSWUBFVSRN-MRRJBJDNSA-N 0 3 388.447 1.581 20 30 GDEDHN C[C@H](CNC(=O)CSCC#N)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574937323 949228060 /nfs/dbraw/zinc/22/80/60/949228060.db2.gz OHZUSXBAVKPCGF-LLVKDONJSA-N 0 3 377.449 1.199 20 30 GDEDHN C[C@H](CNC(=O)CSCC#N)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574937323 949228080 /nfs/dbraw/zinc/22/80/80/949228080.db2.gz OHZUSXBAVKPCGF-LLVKDONJSA-N 0 3 377.449 1.199 20 30 GDEDHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574527538 950890940 /nfs/dbraw/zinc/89/09/40/950890940.db2.gz DADCZHLZSKNHGX-QWRGUYRKSA-N 0 3 384.469 1.815 20 30 GDEDHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574527538 950890956 /nfs/dbraw/zinc/89/09/56/950890956.db2.gz DADCZHLZSKNHGX-QWRGUYRKSA-N 0 3 384.469 1.815 20 30 GDEDHN C#CCN1CCC(C(=O)NCCNS(=O)(=O)c2cc(C)sc2C)CC1 ZINC000121886744 530963760 /nfs/dbraw/zinc/96/37/60/530963760.db2.gz CSIWGEYSDZWXCV-UHFFFAOYSA-N 0 3 383.539 1.105 20 30 GDEDHN CC(C#N)C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000524392270 531276421 /nfs/dbraw/zinc/27/64/21/531276421.db2.gz SPYOTZIDNRATFX-LLVKDONJSA-N 0 3 386.271 1.442 20 30 GDEDHN C=CCOc1cccc(CNCCNS(=O)(=O)c2sc(=O)[nH]c2C)c1 ZINC000482542122 531399989 /nfs/dbraw/zinc/39/99/89/531399989.db2.gz XNUFNKIYNAACIX-UHFFFAOYSA-N 0 3 383.495 1.790 20 30 GDEDHN C#CCN(C)CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 ZINC000293897012 531450726 /nfs/dbraw/zinc/45/07/26/531450726.db2.gz DYERJAPLVSAQKW-UHFFFAOYSA-N 0 3 387.889 1.207 20 30 GDEDHN Cn1cc(CNc2cc(N3CCOCC3)c(Br)cn2)cc1C#N ZINC000449764965 531476067 /nfs/dbraw/zinc/47/60/67/531476067.db2.gz FPYQQFNYNQCVBR-UHFFFAOYSA-N 0 3 376.258 2.503 20 30 GDEDHN CN(C)CCn1ccc(NC(=O)COc2cccc(Br)c2C#N)n1 ZINC000449818539 531477156 /nfs/dbraw/zinc/47/71/56/531477156.db2.gz FIZVAKYMMWTGQY-UHFFFAOYSA-N 0 3 392.257 2.096 20 30 GDEDHN CN(C)CCN(CC(=O)N(C)C)C(=O)Cc1ccc(Br)cc1C#N ZINC000598183718 531972172 /nfs/dbraw/zinc/97/21/72/531972172.db2.gz ACHABRKGTDOVCM-UHFFFAOYSA-N 0 3 395.301 1.342 20 30 GDEDHN CN1CCC[C@H](N2CCN(S(=O)(=O)c3ccc(C#N)cc3Cl)CC2)C1 ZINC000376160916 532197877 /nfs/dbraw/zinc/19/78/77/532197877.db2.gz FMSQEJZYDFRTLB-HNNXBMFYSA-N 0 3 382.917 1.612 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@](C)(O)C(F)(F)F)cc1 ZINC000287495581 532218871 /nfs/dbraw/zinc/21/88/71/532218871.db2.gz ZYCSDSWKXPQTMS-ZANVPECISA-N 0 3 379.360 1.807 20 30 GDEDHN CN(C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000288904954 532310899 /nfs/dbraw/zinc/31/08/99/532310899.db2.gz SYBOWFQGYWYVCP-CYBMUJFWSA-N 0 3 379.258 1.812 20 30 GDEDHN CCOc1cc(C#N)cc(Br)c1OCC(=O)C(C#N)C(=O)NC ZINC000917002139 660204190 /nfs/dbraw/zinc/20/41/90/660204190.db2.gz MXUWUAHSOUNAOO-SNVBAGLBSA-N 0 3 380.198 1.553 20 30 GDEDHN N#Cc1ccc(OCC(=O)NC[C@H]2CCCCN2CCO)cc1Br ZINC000452378783 647321564 /nfs/dbraw/zinc/32/15/64/647321564.db2.gz PFIGYVVFIUDZGP-CQSZACIVSA-N 0 3 396.285 1.663 20 30 GDEDHN C=CC[C@]1(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)CCC[NH2+]1 ZINC000662813254 654303111 /nfs/dbraw/zinc/30/31/11/654303111.db2.gz YSPQUBDOWFDDHO-MRXNPFEDSA-N 0 3 389.880 1.572 20 30 GDEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@H]1CCS(=O)(=O)C1 ZINC000728172982 654885785 /nfs/dbraw/zinc/88/57/85/654885785.db2.gz LXVIXKAWFUJZSK-STQMWFEESA-N 0 3 377.491 1.982 20 30 GDEDHN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)C(C#N)c2ccncn2)s1 ZINC000760336219 655109147 /nfs/dbraw/zinc/10/91/47/655109147.db2.gz XJFXUHUEZZTPHS-JSGCOSHPSA-N 0 3 376.463 1.876 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(C)c(Br)c(F)c1 ZINC000839564710 655253376 /nfs/dbraw/zinc/25/33/76/655253376.db2.gz UBEFRVVYSAHERK-UHFFFAOYSA-N 0 3 384.249 1.906 20 30 GDEDHN C#CCN(C)CCCNS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000815082162 655285901 /nfs/dbraw/zinc/28/59/01/655285901.db2.gz BVRCWBMSAXDCFJ-UHFFFAOYSA-N 0 3 388.331 1.749 20 30 GDEDHN C#CCNC(=O)CCN[C@@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000815118125 655288373 /nfs/dbraw/zinc/28/83/73/655288373.db2.gz SBWMOSLMSSUJGT-KRWDZBQOSA-N 0 3 381.270 1.957 20 30 GDEDHN C#CCN(C)CCCNS(=O)(=O)c1ccccc1NC(=O)C(F)(F)F ZINC000867312134 656036139 /nfs/dbraw/zinc/03/61/39/656036139.db2.gz XPFJLWMCTLLLPW-UHFFFAOYSA-N 0 3 377.388 1.421 20 30 GDEDHN N#Cc1nc(NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)ccc1Br ZINC000932158589 657153809 /nfs/dbraw/zinc/15/38/09/657153809.db2.gz LSMFUTKMNXVLEH-KBPBESRZSA-N 0 3 394.273 1.779 20 30 GDEDHN C=CCNC(=O)c1cccnc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164878407 721142514 /nfs/dbraw/zinc/14/25/14/721142514.db2.gz QAQHWLMXPNJETG-RBUKOAKNSA-N 0 3 393.491 1.872 20 30 GDEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571285436 945915936 /nfs/dbraw/zinc/91/59/36/945915936.db2.gz DOSQWGZFSHAKGY-DCDXPUDHSA-N 0 3 387.875 1.730 20 30 GDEDHN C#Cc1ccc(C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cn1 ZINC001573288571 946869097 /nfs/dbraw/zinc/86/90/97/946869097.db2.gz RTXDNSSISXQTTL-IBGZPJMESA-N 0 3 389.463 1.787 20 30 GDEDHN C#Cc1ccc(C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cn1 ZINC001573288571 946869108 /nfs/dbraw/zinc/86/91/08/946869108.db2.gz RTXDNSSISXQTTL-IBGZPJMESA-N 0 3 389.463 1.787 20 30 GDEDHN C#CCOc1ccc(C(=O)NC[C@H](C)[NH2+]Cc2ccccc2-c2nnn[n-]2)cc1 ZINC001573290555 946907787 /nfs/dbraw/zinc/90/77/87/946907787.db2.gz ZFPJVRBVOIFVMW-HNNXBMFYSA-N 0 3 390.447 1.787 20 30 GDEDHN C#CCOc1ccc(C(=O)NC[C@H](C)[NH2+]Cc2ccccc2-c2nn[n-]n2)cc1 ZINC001573290555 946907802 /nfs/dbraw/zinc/90/78/02/946907802.db2.gz ZFPJVRBVOIFVMW-HNNXBMFYSA-N 0 3 390.447 1.787 20 30 GDEDHN C#Cc1cncc(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001573292079 946928563 /nfs/dbraw/zinc/92/85/63/946928563.db2.gz OIXQHXXEFWCGKX-KBPBESRZSA-N 0 3 375.436 1.540 20 30 GDEDHN C#Cc1cncc(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573292079 946928572 /nfs/dbraw/zinc/92/85/72/946928572.db2.gz OIXQHXXEFWCGKX-KBPBESRZSA-N 0 3 375.436 1.540 20 30 GDEDHN C=C(Br)CNC[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC1 ZINC001573293511 946960707 /nfs/dbraw/zinc/96/07/07/946960707.db2.gz YPHZABZMWZSFEC-GFCCVEGCSA-N 0 3 380.250 1.201 20 30 GDEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573294359 946985047 /nfs/dbraw/zinc/98/50/47/946985047.db2.gz DBUGLNREBXDPEH-DQYPLSBCSA-N 0 3 388.447 1.581 20 30 GDEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573294359 946985059 /nfs/dbraw/zinc/98/50/59/946985059.db2.gz DBUGLNREBXDPEH-DQYPLSBCSA-N 0 3 388.447 1.581 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC[C@]2(CC[N@H+](Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001573566348 947025254 /nfs/dbraw/zinc/02/52/54/947025254.db2.gz BLSKKVXWDSUFLZ-MGPUTAFESA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001573566348 947025265 /nfs/dbraw/zinc/02/52/65/947025265.db2.gz BLSKKVXWDSUFLZ-MGPUTAFESA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC[C@]2(CC[N@H+](Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001573566348 947025272 /nfs/dbraw/zinc/02/52/72/947025272.db2.gz BLSKKVXWDSUFLZ-MGPUTAFESA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001573566348 947025285 /nfs/dbraw/zinc/02/52/85/947025285.db2.gz BLSKKVXWDSUFLZ-MGPUTAFESA-N 0 3 379.468 1.841 20 30 GDEDHN C=C(C)[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)OCC ZINC001573300071 947104302 /nfs/dbraw/zinc/10/43/02/947104302.db2.gz NWLUFELYUPXKKZ-FGTMMUONSA-N 0 3 384.484 1.975 20 30 GDEDHN C=C(C)[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1)OCC ZINC001573300071 947104308 /nfs/dbraw/zinc/10/43/08/947104308.db2.gz NWLUFELYUPXKKZ-FGTMMUONSA-N 0 3 384.484 1.975 20 30 GDEDHN C[C@@H](C#N)C(=O)N[C@@H]1CC12CC[NH+](Cc1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC001573575337 947136174 /nfs/dbraw/zinc/13/61/74/947136174.db2.gz XILRVQPCFZVHFM-BLLLJJGKSA-N 0 3 383.431 1.636 20 30 GDEDHN C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573586559 947290769 /nfs/dbraw/zinc/29/07/69/947290769.db2.gz QURPZAUVHICUJN-YDHLFZDLSA-N 0 3 385.447 1.930 20 30 GDEDHN C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001573586559 947290780 /nfs/dbraw/zinc/29/07/80/947290780.db2.gz QURPZAUVHICUJN-YDHLFZDLSA-N 0 3 385.447 1.930 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC001573350416 947597519 /nfs/dbraw/zinc/59/75/19/947597519.db2.gz DWEOLVZQQHFGIU-INMHGKMJSA-N 0 3 398.467 1.157 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC001573350416 947597530 /nfs/dbraw/zinc/59/75/30/947597530.db2.gz DWEOLVZQQHFGIU-INMHGKMJSA-N 0 3 398.467 1.157 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573350964 947606167 /nfs/dbraw/zinc/60/61/67/947606167.db2.gz MHZDPQNPSGEAHI-QRQLOZEOSA-N 0 3 396.495 1.929 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573350964 947606170 /nfs/dbraw/zinc/60/61/70/947606170.db2.gz MHZDPQNPSGEAHI-QRQLOZEOSA-N 0 3 396.495 1.929 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573352038 947622563 /nfs/dbraw/zinc/62/25/63/947622563.db2.gz SYCPBZPTODURFB-QEORTHHSSA-N 0 3 388.447 1.581 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573352038 947622571 /nfs/dbraw/zinc/62/25/71/947622571.db2.gz SYCPBZPTODURFB-QEORTHHSSA-N 0 3 388.447 1.581 20 30 GDEDHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575907803 950342662 /nfs/dbraw/zinc/34/26/62/950342662.db2.gz QWLUYYOMUPIAMF-YVEFUNNKSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575907803 950342678 /nfs/dbraw/zinc/34/26/78/950342678.db2.gz QWLUYYOMUPIAMF-YVEFUNNKSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575908484 950365241 /nfs/dbraw/zinc/36/52/41/950365241.db2.gz CFKHZJXXYGOCIO-WBMJQRKESA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575908484 950365258 /nfs/dbraw/zinc/36/52/58/950365258.db2.gz CFKHZJXXYGOCIO-WBMJQRKESA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001576220331 950830980 /nfs/dbraw/zinc/83/09/80/950830980.db2.gz XETPHUADJSUUJK-CXAGYDPISA-N 0 3 382.443 1.603 20 30 GDEDHN C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001576220331 950831003 /nfs/dbraw/zinc/83/10/03/950831003.db2.gz XETPHUADJSUUJK-CXAGYDPISA-N 0 3 382.443 1.603 20 30 GDEDHN C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571120674 952506385 /nfs/dbraw/zinc/50/63/85/952506385.db2.gz PDCOZECRJAUSBJ-SJCJKPOMSA-N 0 3 376.424 1.317 20 30 GDEDHN C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571120674 952506390 /nfs/dbraw/zinc/50/63/90/952506390.db2.gz PDCOZECRJAUSBJ-SJCJKPOMSA-N 0 3 376.424 1.317 20 30 GDEDHN [NH2+]=C(NCC[N-]S(=O)(=O)c1cccs1)N[C@@H]1CCOc2ccccc21 ZINC000160484825 530552330 /nfs/dbraw/zinc/55/23/30/530552330.db2.gz FVBQSIZTYUXKBI-CYBMUJFWSA-N 0 3 380.495 1.455 20 30 GDEDHN C=CCN1CCC(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1 ZINC000171721900 530602109 /nfs/dbraw/zinc/60/21/09/530602109.db2.gz QXNWFQMFTQFKMA-UHFFFAOYSA-N 0 3 385.917 1.971 20 30 GDEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000184666940 530831049 /nfs/dbraw/zinc/83/10/49/530831049.db2.gz OPMBLVUZSRMDCG-LLVKDONJSA-N 0 3 382.873 1.741 20 30 GDEDHN CC(C#N)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000525693235 531295775 /nfs/dbraw/zinc/29/57/75/531295775.db2.gz GEWZFGFGSQJOMD-SNVBAGLBSA-N 0 3 376.265 1.986 20 30 GDEDHN N#Cc1c(Br)cccc1OCC(=O)NC[C@H](O)CN1CCCCC1 ZINC000450234219 531489914 /nfs/dbraw/zinc/48/99/14/531489914.db2.gz RRRUHIVWMVDTGT-ZDUSSCGKSA-N 0 3 396.285 1.663 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000588288964 531651291 /nfs/dbraw/zinc/65/12/91/531651291.db2.gz SFLXXGFZZREMNL-AAEUAGOBSA-N 0 3 385.467 1.023 20 30 GDEDHN N#Cc1cccc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)c1Br ZINC000591413420 531721940 /nfs/dbraw/zinc/72/19/40/531721940.db2.gz ALDMWSXWCLPXKR-ZDUSSCGKSA-N 0 3 391.269 1.860 20 30 GDEDHN CCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000595193863 531870413 /nfs/dbraw/zinc/87/04/13/531870413.db2.gz DOGDXMWGTGSILV-ZDUSSCGKSA-N 0 3 379.258 1.860 20 30 GDEDHN N#Cc1ccc(S(=O)(=O)CCNC2CCN(c3nccs3)CC2)nc1 ZINC000572029620 531957328 /nfs/dbraw/zinc/95/73/28/531957328.db2.gz RGYZDBVQDIQILJ-UHFFFAOYSA-N 0 3 377.495 1.442 20 30 GDEDHN C#CCN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000299217014 531968925 /nfs/dbraw/zinc/96/89/25/531968925.db2.gz WNUWBTAEYFDALA-UHFFFAOYSA-N 0 3 380.286 1.431 20 30 GDEDHN N#CCCC[C@@H](N)C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000424117783 532084612 /nfs/dbraw/zinc/08/46/12/532084612.db2.gz ZGFCOJVWKJMGJM-OAHLLOKOSA-N 0 3 393.285 1.755 20 30 GDEDHN O=C(N[C@@H]1CN(c2ccc(Br)cc2)C1=O)[C@@H]1CN2CCN1CCC2 ZINC000329273773 532099861 /nfs/dbraw/zinc/09/98/61/532099861.db2.gz KDKODXYACRHLDE-CABCVRRESA-N 0 3 393.285 1.511 20 30 GDEDHN CN(C)C[C@](C)(O)CNC(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000330376349 532120922 /nfs/dbraw/zinc/12/09/22/532120922.db2.gz HOSPJOPKWHEOPT-MRXNPFEDSA-N 0 3 389.543 1.540 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1 ZINC000429925984 532238940 /nfs/dbraw/zinc/23/89/40/532238940.db2.gz PMIQCGMCHHXIED-NHYWBVRUSA-N 0 3 385.467 1.071 20 30 GDEDHN CCOC(=O)c1csc(C(C#N)C(=O)Nc2cccc(-c3nn[nH]n3)c2)n1 ZINC000825570632 608493623 /nfs/dbraw/zinc/49/36/23/608493623.db2.gz LROKVNVSAXGQRL-LLVKDONJSA-N 0 3 383.393 1.746 20 30 GDEDHN C=CCN1CCC(NC(=O)C(=O)NCCc2cccc(Br)c2)CC1 ZINC000422292360 646057585 /nfs/dbraw/zinc/05/75/85/646057585.db2.gz GQPLYVPPIQXQCO-UHFFFAOYSA-N 0 3 394.313 1.874 20 30 GDEDHN N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2CNCCC2(F)F)c1 ZINC000580073423 651893477 /nfs/dbraw/zinc/89/34/77/651893477.db2.gz IVHKECOFFQDHET-LLVKDONJSA-N 0 3 380.214 1.596 20 30 GDEDHN N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000593733027 652245835 /nfs/dbraw/zinc/24/58/35/652245835.db2.gz UXHMVUPVIGJGPK-MRXNPFEDSA-N 0 3 380.286 1.826 20 30 GDEDHN N#Cc1cc(N2CCN([C@H]3CCNC(=O)CC3)CC2)ncc1Br ZINC000603391895 652709474 /nfs/dbraw/zinc/70/94/74/652709474.db2.gz VCTSKSARESZFJF-CYBMUJFWSA-N 0 3 378.274 1.506 20 30 GDEDHN C[C@H](CSc1ccccc1)C(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000732909694 654493127 /nfs/dbraw/zinc/49/31/27/654493127.db2.gz FEGJRTJMYLPCNS-UKRRQHHQSA-N 0 3 380.491 1.381 20 30 GDEDHN CS(=O)(=O)N[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000735077664 654549501 /nfs/dbraw/zinc/54/95/01/654549501.db2.gz DKLXYXQSZRXARW-NEPJUHHUSA-N 0 3 378.479 1.096 20 30 GDEDHN COCCNC(=O)C(C#N)C(=O)CSc1nnc(-c2cccs2)n1C ZINC000726858040 654859436 /nfs/dbraw/zinc/85/94/36/654859436.db2.gz DUIKTFWJQGRVIH-JTQLQIEISA-N 0 3 379.467 1.107 20 30 GDEDHN C#CCN1CCC(C(=O)NC[C@H](SCC(=O)OCC)C(F)(F)F)CC1 ZINC000828517957 654871602 /nfs/dbraw/zinc/87/16/02/654871602.db2.gz GXLUEEQWHPJFDP-ZDUSSCGKSA-N 0 3 380.432 1.675 20 30 GDEDHN C#CCNC(=O)CN1CC[C@H](Cc2cccc(I)c2)C1 ZINC000830515061 654947905 /nfs/dbraw/zinc/94/79/05/654947905.db2.gz QRCAGAKESVOJGK-CQSZACIVSA-N 0 3 382.245 1.905 20 30 GDEDHN C#CCN(C)CCCNC(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000836487554 655145592 /nfs/dbraw/zinc/14/55/92/655145592.db2.gz HJKVOFNHVBHSDT-UHFFFAOYSA-N 0 3 395.301 1.433 20 30 GDEDHN C#CCN(C)CCCNC(=O)NC[C@@H](CO)Cc1ccccc1Br ZINC000838623869 655221100 /nfs/dbraw/zinc/22/11/00/655221100.db2.gz SZJCUWCNGDYGNR-HNNXBMFYSA-N 0 3 396.329 1.854 20 30 GDEDHN C#CCN(C)CCCNS(=O)(=O)c1cc(Br)cc(OC)c1 ZINC000815083422 655286314 /nfs/dbraw/zinc/28/63/14/655286314.db2.gz XNYIMZFTERZRLK-UHFFFAOYSA-N 0 3 375.288 1.691 20 30 GDEDHN C#CCN(C)CCCNC(=O)COc1cccc(I)c1 ZINC000818596000 655377043 /nfs/dbraw/zinc/37/70/43/655377043.db2.gz YMQKQMODZMPNLC-UHFFFAOYSA-N 0 3 386.233 1.741 20 30 GDEDHN C=CCS(=O)(=O)CCNC[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000819222004 655388335 /nfs/dbraw/zinc/38/83/35/655388335.db2.gz KXEQRFMCPVELEB-HNNXBMFYSA-N 0 3 376.519 1.185 20 30 GDEDHN C=CCS(=O)(=O)CCNC[C@H](O)COc1cccc(Br)c1 ZINC000819221793 655388392 /nfs/dbraw/zinc/38/83/92/655388392.db2.gz IEWBYFBCEDQOHO-ZDUSSCGKSA-N 0 3 378.288 1.379 20 30 GDEDHN C#CCN(C)CCCNS(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000859172480 655767387 /nfs/dbraw/zinc/76/73/87/655767387.db2.gz OLTJNSMRSYIWOU-UHFFFAOYSA-N 0 3 380.388 1.827 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1c2c(ccc1Br)OCC2 ZINC000873896604 656427129 /nfs/dbraw/zinc/42/71/29/656427129.db2.gz ZOMJBFHYJIIITP-UHFFFAOYSA-N 0 3 394.269 1.394 20 30 GDEDHN C#CCN(C)CCCNC(=O)NC1(c2ncc(Br)cn2)CCC1 ZINC000922628089 656497795 /nfs/dbraw/zinc/49/77/95/656497795.db2.gz BNMLIMJRFOMYIC-UHFFFAOYSA-N 0 3 380.290 1.873 20 30 GDEDHN N#Cc1cnc(Cl)c(CNCC2CCN(S(=O)(=O)C(F)F)CC2)c1 ZINC000877038126 656648714 /nfs/dbraw/zinc/64/87/14/656648714.db2.gz IBDGMWCHAPNGIV-UHFFFAOYSA-N 0 3 378.832 1.961 20 30 GDEDHN C#C[C@H](NCc1ccc(S(N)(=O)=O)c(Br)c1)C1CCOCC1 ZINC000877636851 656684341 /nfs/dbraw/zinc/68/43/41/656684341.db2.gz CBSJKDFJKJOHQB-AWEZNQCLSA-N 0 3 387.299 1.615 20 30 GDEDHN C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000879991352 656851670 /nfs/dbraw/zinc/85/16/70/656851670.db2.gz WQBZEAZLHJPKTN-KGLIPLIRSA-N 0 3 375.897 1.595 20 30 GDEDHN C#CCN1CCC(C(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)CC1 ZINC000889812130 658043562 /nfs/dbraw/zinc/04/35/62/658043562.db2.gz QFMMSRXGJVZISI-CQSZACIVSA-N 0 3 391.269 1.169 20 30 GDEDHN N#Cc1ncc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1C#N ZINC001164972660 722145510 /nfs/dbraw/zinc/14/55/10/722145510.db2.gz AGFBUOLRHPAWHV-QFBILLFUSA-N 0 3 375.436 1.342 20 30 GDEDHN CC1(NC(=O)c2c[nH]c(C#N)c2)CC[NH+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001571300022 946270044 /nfs/dbraw/zinc/27/00/44/946270044.db2.gz YFERJGUAEBIIRB-UHFFFAOYSA-N 0 3 390.451 1.851 20 30 GDEDHN CC1(NC(=O)c2c[nH]c(C#N)c2)CC[NH+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001571300022 946270054 /nfs/dbraw/zinc/27/00/54/946270054.db2.gz YFERJGUAEBIIRB-UHFFFAOYSA-N 0 3 390.451 1.851 20 30 GDEDHN C#CCOCCC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573286696 946817703 /nfs/dbraw/zinc/81/77/03/946817703.db2.gz HSRVWCWFORDSDG-KRWDZBQOSA-N 0 3 382.468 1.377 20 30 GDEDHN C#CCOCCC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573286696 946817720 /nfs/dbraw/zinc/81/77/20/946817720.db2.gz HSRVWCWFORDSDG-KRWDZBQOSA-N 0 3 382.468 1.377 20 30 GDEDHN C#Cc1cncc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC001573290554 946907392 /nfs/dbraw/zinc/90/73/92/946907392.db2.gz LMAOFHBBPZPLLJ-IFXJQAMLSA-N 0 3 387.447 1.493 20 30 GDEDHN C#Cc1cncc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC001573290554 946907400 /nfs/dbraw/zinc/90/74/00/946907400.db2.gz LMAOFHBBPZPLLJ-IFXJQAMLSA-N 0 3 387.447 1.493 20 30 GDEDHN C#Cc1ccccc1CC(=O)NCC1([NH2+]Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573290976 946912361 /nfs/dbraw/zinc/91/23/61/946912361.db2.gz TYWSBHPPIJBLEM-UHFFFAOYSA-N 0 3 386.459 1.829 20 30 GDEDHN C#Cc1ccccc1CC(=O)NCC1([NH2+]Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573290976 946912371 /nfs/dbraw/zinc/91/23/71/946912371.db2.gz TYWSBHPPIJBLEM-UHFFFAOYSA-N 0 3 386.459 1.829 20 30 GDEDHN C#Cc1cncc(C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001573291211 946915646 /nfs/dbraw/zinc/91/56/46/946915646.db2.gz AJDRZCMUPKJIEJ-GJZGRUSLSA-N 0 3 389.463 1.930 20 30 GDEDHN C#Cc1cncc(C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573291211 946915648 /nfs/dbraw/zinc/91/56/48/946915648.db2.gz AJDRZCMUPKJIEJ-GJZGRUSLSA-N 0 3 389.463 1.930 20 30 GDEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573295158 947010153 /nfs/dbraw/zinc/01/01/53/947010153.db2.gz OGLBJGRBGFFMHJ-WBAXXEDZSA-N 0 3 384.484 1.690 20 30 GDEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573295158 947010166 /nfs/dbraw/zinc/01/01/66/947010166.db2.gz OGLBJGRBGFFMHJ-WBAXXEDZSA-N 0 3 384.484 1.690 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001573567637 947049255 /nfs/dbraw/zinc/04/92/55/947049255.db2.gz PPPPOCNUSFAAJJ-YWZLYKJASA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001573567637 947049266 /nfs/dbraw/zinc/04/92/66/947049266.db2.gz PPPPOCNUSFAAJJ-YWZLYKJASA-N 0 3 379.468 1.841 20 30 GDEDHN C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1OCC ZINC001573296956 947057189 /nfs/dbraw/zinc/05/71/89/947057189.db2.gz CLAXPDWFVMNUHW-TZMCWYRMSA-N 0 3 379.852 1.014 20 30 GDEDHN C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1OCC ZINC001573296956 947057200 /nfs/dbraw/zinc/05/72/00/947057200.db2.gz CLAXPDWFVMNUHW-TZMCWYRMSA-N 0 3 379.852 1.014 20 30 GDEDHN C[C@@H](C#N)C(=O)N[C@@H](C)C1CC[NH+](Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573584688 947230523 /nfs/dbraw/zinc/23/05/23/947230523.db2.gz BQFYLOMFKBGBTE-STQMWFEESA-N 0 3 385.447 1.882 20 30 GDEDHN C=CCCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573336102 947501317 /nfs/dbraw/zinc/50/13/17/947501317.db2.gz IMWMIMLHRCRWGN-UKRRQHHQSA-N 0 3 388.447 1.678 20 30 GDEDHN C=CCOCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573343482 947558970 /nfs/dbraw/zinc/55/89/70/947558970.db2.gz POHLKAVABYFTND-OAHLLOKOSA-N 0 3 388.447 1.679 20 30 GDEDHN C=CCOCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573343482 947558976 /nfs/dbraw/zinc/55/89/76/947558976.db2.gz POHLKAVABYFTND-OAHLLOKOSA-N 0 3 388.447 1.679 20 30 GDEDHN CC#CCCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC001573358379 947661038 /nfs/dbraw/zinc/66/10/38/947661038.db2.gz JHNGPAHMGQRDNM-INIZCTEOSA-N 0 3 382.468 1.759 20 30 GDEDHN CC#CCCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC001573358379 947661042 /nfs/dbraw/zinc/66/10/42/947661042.db2.gz JHNGPAHMGQRDNM-INIZCTEOSA-N 0 3 382.468 1.759 20 30 GDEDHN C[C@@H](NC(=O)C#CC1CC1)[C@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001575248096 949061312 /nfs/dbraw/zinc/06/13/12/949061312.db2.gz NIZHPLOLRMIFTP-BEFAXECRSA-N 0 3 378.480 1.997 20 30 GDEDHN C[C@@H](NC(=O)C#CC1CC1)[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575248096 949061354 /nfs/dbraw/zinc/06/13/54/949061354.db2.gz NIZHPLOLRMIFTP-BEFAXECRSA-N 0 3 378.480 1.997 20 30 GDEDHN C[C@@H](NC(=O)C#CC1CC1)[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001575248096 949061333 /nfs/dbraw/zinc/06/13/33/949061333.db2.gz NIZHPLOLRMIFTP-BEFAXECRSA-N 0 3 378.480 1.997 20 30 GDEDHN C[C@@H](NC(=O)C#CC1CC1)[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575248096 949061374 /nfs/dbraw/zinc/06/13/74/949061374.db2.gz NIZHPLOLRMIFTP-BEFAXECRSA-N 0 3 378.480 1.997 20 30 GDEDHN C[C@H]1[C@@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575908673 950373856 /nfs/dbraw/zinc/37/38/56/950373856.db2.gz CYLOFZGDXCEYIV-WFASDCNBSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574527536 950892635 /nfs/dbraw/zinc/89/26/35/950892635.db2.gz DADCZHLZSKNHGX-GHMZBOCLSA-N 0 3 384.469 1.815 20 30 GDEDHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574527536 950892653 /nfs/dbraw/zinc/89/26/53/950892653.db2.gz DADCZHLZSKNHGX-GHMZBOCLSA-N 0 3 384.469 1.815 20 30 GDEDHN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)(NC(=O)c1c[nH]c(C#N)c1)C1CC1 ZINC001575091678 951781663 /nfs/dbraw/zinc/78/16/63/951781663.db2.gz UPBFSQFQMORWOF-HXUWFJFHSA-N 0 3 390.451 1.755 20 30 GDEDHN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)(NC(=O)c1c[nH]c(C#N)c1)C1CC1 ZINC001575091678 951781666 /nfs/dbraw/zinc/78/16/66/951781666.db2.gz UPBFSQFQMORWOF-HXUWFJFHSA-N 0 3 390.451 1.755 20 30 GDEDHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)c1cc(C#N)c[nH]1 ZINC001575091971 951786693 /nfs/dbraw/zinc/78/66/93/951786693.db2.gz WWBYTSSKBKGAAM-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@@H](CNCc1ccc(C#N)cc1F)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575101410 951859329 /nfs/dbraw/zinc/85/93/29/951859329.db2.gz DRPWOZRPJLBUIN-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@H](O)CN1CCC(CN(C)S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000161455318 530560315 /nfs/dbraw/zinc/56/03/15/530560315.db2.gz UQGYUVSDIDJWFM-ZDUSSCGKSA-N 0 3 385.917 1.925 20 30 GDEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1cn2cc(Br)ccc2n1 ZINC000113498098 530889682 /nfs/dbraw/zinc/88/96/82/530889682.db2.gz YZJKKAASPBTMPM-JTQLQIEISA-N 0 3 386.271 1.702 20 30 GDEDHN CCN(CC)CCN(CCC(F)(F)F)S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000409510689 531255505 /nfs/dbraw/zinc/25/55/05/531255505.db2.gz CHASKZABUDXCGX-ZDUSSCGKSA-N 0 3 386.440 1.052 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(F)cc(F)c1Br ZINC000293390319 531418263 /nfs/dbraw/zinc/41/82/63/531418263.db2.gz NQCVMHQOKRGHDA-UHFFFAOYSA-N 0 3 388.212 1.737 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000293508623 531425265 /nfs/dbraw/zinc/42/52/65/531425265.db2.gz XVSVTHUNRKPLNR-UHFFFAOYSA-N 0 3 377.242 1.331 20 30 GDEDHN CCNC(=O)NC(=O)C(C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000414220335 531434953 /nfs/dbraw/zinc/43/49/53/531434953.db2.gz JCUYCNIVYPJTNS-QMMMGPOBSA-N 0 3 377.344 1.585 20 30 GDEDHN C#CCN(C)CCCNC(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000293905533 531451801 /nfs/dbraw/zinc/45/18/01/531451801.db2.gz FNYICBPASIHUQP-UHFFFAOYSA-N 0 3 380.242 1.465 20 30 GDEDHN N#Cc1c(Br)cccc1OCC(=O)NCCCN1CCC(O)CC1 ZINC000449933682 531482017 /nfs/dbraw/zinc/48/20/17/531482017.db2.gz DEUSWPPKADEIJH-UHFFFAOYSA-N 0 3 396.285 1.663 20 30 GDEDHN CN1CCC(CCO)(NC(=O)COc2cccc(Br)c2C#N)CC1 ZINC000450685051 531506320 /nfs/dbraw/zinc/50/63/20/531506320.db2.gz SKERGQSMPBGOMR-UHFFFAOYSA-N 0 3 396.285 1.663 20 30 GDEDHN CN(CCC#N)C[C@H](O)CNCc1cc(Br)c2c(c1)OCCO2 ZINC000583138744 531566093 /nfs/dbraw/zinc/56/60/93/531566093.db2.gz HLIHIMSBXMNENK-CYBMUJFWSA-N 0 3 384.274 1.516 20 30 GDEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)C[C@@H]2CNCCO2)nc1C ZINC000269220528 531625599 /nfs/dbraw/zinc/62/55/99/531625599.db2.gz ZUMCREXRXWFMFC-SNVBAGLBSA-N 0 3 380.499 1.502 20 30 GDEDHN COCCCN(C)CCNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419671992 531950746 /nfs/dbraw/zinc/95/07/46/531950746.db2.gz HTFYGPWJCCMJGX-UHFFFAOYSA-N 0 3 397.273 1.344 20 30 GDEDHN CN(C)CC[C@@](C)(O)CNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000420005034 531995478 /nfs/dbraw/zinc/99/54/78/531995478.db2.gz XBBKJCHOZLFNJS-MRXNPFEDSA-N 0 3 384.274 1.518 20 30 GDEDHN CC(C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1)S(=O)(=O)C1CCOCC1 ZINC000329187199 532098369 /nfs/dbraw/zinc/09/83/69/532098369.db2.gz PZPOFSRVZRFILK-VXGBXAGGSA-N 0 3 386.436 1.952 20 30 GDEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H](C)c2ccc(Br)cn2)CC1 ZINC000286828405 532180050 /nfs/dbraw/zinc/18/00/50/532180050.db2.gz WYEQIOLLNGIBHB-GFCCVEGCSA-N 0 3 395.301 1.788 20 30 GDEDHN CN(C)CCn1cc(NS(=O)(=O)c2cccc(Cl)c2C#N)ccc1=O ZINC000535139560 650242362 /nfs/dbraw/zinc/24/23/62/650242362.db2.gz WGEADDLHOQIOJU-UHFFFAOYSA-N 0 3 380.857 1.736 20 30 GDEDHN CN(CC(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1)S(C)(=O)=O ZINC000916887219 660203047 /nfs/dbraw/zinc/20/30/47/660203047.db2.gz LYFWHCPCPUNHRG-NSHDSACASA-N 0 3 391.421 1.540 20 30 GDEDHN Cc1ccc(SCCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 ZINC000732909795 654493058 /nfs/dbraw/zinc/49/30/58/654493058.db2.gz FWSJCNZTKBZUKM-HNNXBMFYSA-N 0 3 380.491 1.443 20 30 GDEDHN C=C[C@@H](O)C(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000668911719 654494623 /nfs/dbraw/zinc/49/46/23/654494623.db2.gz XCSDIGPQVTWUJB-MRXNPFEDSA-N 0 3 383.286 1.955 20 30 GDEDHN O=C(NCCNCc1cccc(I)c1)C1N=CC=CC1=O ZINC000790545177 655051263 /nfs/dbraw/zinc/05/12/63/655051263.db2.gz SOSNRGUONNPSOD-CCEZHUSRSA-N 0 3 397.216 1.907 20 30 GDEDHN CS(=O)(=O)C[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000795099281 655160881 /nfs/dbraw/zinc/16/08/81/655160881.db2.gz MIOMMDFQUXXCDP-STQMWFEESA-N 0 3 377.491 1.839 20 30 GDEDHN CS(=O)(=O)[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000763911997 655204659 /nfs/dbraw/zinc/20/46/59/655204659.db2.gz JTZRUNBUUDHOLV-QWHCGFSZSA-N 0 3 377.491 1.982 20 30 GDEDHN C#CCN(C)CCCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000815082594 655286297 /nfs/dbraw/zinc/28/62/97/655286297.db2.gz AQSTVTODUFQVQK-UHFFFAOYSA-N 0 3 390.259 1.591 20 30 GDEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000818357248 655373145 /nfs/dbraw/zinc/37/31/45/655373145.db2.gz XOGZDYKEYANCQO-KCQAQPDRSA-N 0 3 385.511 1.755 20 30 GDEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000818593348 655376955 /nfs/dbraw/zinc/37/69/55/655376955.db2.gz VICNJUQEGTTXGY-AWEZNQCLSA-N 0 3 392.297 1.873 20 30 GDEDHN CN(CC(=O)C(C#N)c1nc(C2CC2)cs1)S(=O)(=O)c1cccnc1 ZINC000842940813 655385003 /nfs/dbraw/zinc/38/50/03/655385003.db2.gz FDWPRQQSUGQVDI-ZDUSSCGKSA-N 0 3 376.463 1.912 20 30 GDEDHN C#CCN(C)CCCNC(=O)c1cc(Br)ccc1-n1cnnn1 ZINC000854664229 655673798 /nfs/dbraw/zinc/67/37/98/655673798.db2.gz QURMCICSKBYULH-UHFFFAOYSA-N 0 3 377.246 1.110 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000876645210 656621051 /nfs/dbraw/zinc/62/10/51/656621051.db2.gz HNYDXDOQONXDNH-HIFRSBDPSA-N 0 3 389.880 1.565 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000876735666 656626957 /nfs/dbraw/zinc/62/69/57/656626957.db2.gz AWRIPHDHOGDAJT-OAHLLOKOSA-N 0 3 386.905 1.031 20 30 GDEDHN NC(=O)NC(=O)CCN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932941760 657232187 /nfs/dbraw/zinc/23/21/87/657232187.db2.gz ANDXRGVYGLBAOA-WDSKDSINSA-N 0 3 383.239 1.674 20 30 GDEDHN C#CCN(C(=O)c1cc(I)nn1C)C1CCN(C)CC1 ZINC000886572705 657677057 /nfs/dbraw/zinc/67/70/57/657677057.db2.gz XLOACGSJRUKNIS-UHFFFAOYSA-N 0 3 386.237 1.194 20 30 GDEDHN N#Cc1cc(Br)ccc1CC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000889747706 658028450 /nfs/dbraw/zinc/02/84/50/658028450.db2.gz BLZLUGUDBAQHFX-IAGOWNOFSA-N 0 3 392.297 1.921 20 30 GDEDHN N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC001571298687 946224270 /nfs/dbraw/zinc/22/42/70/946224270.db2.gz JIFDYTWJGWXNQV-KRWDZBQOSA-N 0 3 390.451 1.851 20 30 GDEDHN N#Cc1c[nH]c(C(=O)N2CCCC[C@H]2C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC001571298687 946224283 /nfs/dbraw/zinc/22/42/83/946224283.db2.gz JIFDYTWJGWXNQV-KRWDZBQOSA-N 0 3 390.451 1.851 20 30 GDEDHN N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)c1 ZINC001571299811 946260839 /nfs/dbraw/zinc/26/08/39/946260839.db2.gz VIZUFOLNBDYMNA-DLBZAZTESA-N 0 3 390.451 1.897 20 30 GDEDHN N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC001571299811 946260847 /nfs/dbraw/zinc/26/08/47/946260847.db2.gz VIZUFOLNBDYMNA-DLBZAZTESA-N 0 3 390.451 1.897 20 30 GDEDHN C#CCOCCC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC001573288777 946877668 /nfs/dbraw/zinc/87/76/68/946877668.db2.gz YKBSTVHKRUPBOV-QAPCUYQASA-N 0 3 382.468 1.233 20 30 GDEDHN C#CCOCCC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC001573288777 946877683 /nfs/dbraw/zinc/87/76/83/946877683.db2.gz YKBSTVHKRUPBOV-QAPCUYQASA-N 0 3 382.468 1.233 20 30 GDEDHN C#Cc1cncc(C(=O)N(C)CCC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001573291020 946915541 /nfs/dbraw/zinc/91/55/41/946915541.db2.gz VTFRGLWVWOAVMK-UHFFFAOYSA-N 0 3 375.436 1.495 20 30 GDEDHN C#Cc1cncc(C(=O)N(C)CCC[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573291020 946915549 /nfs/dbraw/zinc/91/55/49/946915549.db2.gz VTFRGLWVWOAVMK-UHFFFAOYSA-N 0 3 375.436 1.495 20 30 GDEDHN C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573293838 946969430 /nfs/dbraw/zinc/96/94/30/946969430.db2.gz LEKMWSNXNOFRCX-BORJPKMPSA-N 0 3 381.484 1.943 20 30 GDEDHN C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573293838 946969435 /nfs/dbraw/zinc/96/94/35/946969435.db2.gz LEKMWSNXNOFRCX-BORJPKMPSA-N 0 3 381.484 1.943 20 30 GDEDHN C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573293838 946969441 /nfs/dbraw/zinc/96/94/41/946969441.db2.gz LEKMWSNXNOFRCX-BORJPKMPSA-N 0 3 381.484 1.943 20 30 GDEDHN C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573293838 946969446 /nfs/dbraw/zinc/96/94/46/946969446.db2.gz LEKMWSNXNOFRCX-BORJPKMPSA-N 0 3 381.484 1.943 20 30 GDEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573294319 946986152 /nfs/dbraw/zinc/98/61/52/946986152.db2.gz BLKRKTRCMQDRHP-WNHJNPCNSA-N 0 3 396.495 1.832 20 30 GDEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573294319 946986158 /nfs/dbraw/zinc/98/61/58/946986158.db2.gz BLKRKTRCMQDRHP-WNHJNPCNSA-N 0 3 396.495 1.832 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC(C[N@H+](C)Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573565985 947017985 /nfs/dbraw/zinc/01/79/85/947017985.db2.gz YFLLBOPFYOXRRT-ZDUSSCGKSA-N 0 3 385.447 1.836 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC(C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573565985 947017995 /nfs/dbraw/zinc/01/79/95/947017995.db2.gz YFLLBOPFYOXRRT-ZDUSSCGKSA-N 0 3 385.447 1.836 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC[C@]2(CC[N@H+](Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001573566346 947025513 /nfs/dbraw/zinc/02/55/13/947025513.db2.gz BLSKKVXWDSUFLZ-FOIQADDNSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001573566346 947025528 /nfs/dbraw/zinc/02/55/28/947025528.db2.gz BLSKKVXWDSUFLZ-FOIQADDNSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC[C@]2(CC[N@H+](Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001573566346 947025541 /nfs/dbraw/zinc/02/55/41/947025541.db2.gz BLSKKVXWDSUFLZ-FOIQADDNSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001573566346 947025551 /nfs/dbraw/zinc/02/55/51/947025551.db2.gz BLSKKVXWDSUFLZ-FOIQADDNSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001573568206 947070369 /nfs/dbraw/zinc/07/03/69/947070369.db2.gz ZFSKZPBCBVWAII-ORAYPTAESA-N 0 3 383.431 1.590 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001573568206 947070382 /nfs/dbraw/zinc/07/03/82/947070382.db2.gz ZFSKZPBCBVWAII-ORAYPTAESA-N 0 3 383.431 1.590 20 30 GDEDHN C[C@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C1CCCC1 ZINC001573571718 947102617 /nfs/dbraw/zinc/10/26/17/947102617.db2.gz AGAQYYMJPNNYTC-PXAZEXFGSA-N 0 3 385.447 1.930 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573309340 947197026 /nfs/dbraw/zinc/19/70/26/947197026.db2.gz HDWAXDKOGVRCDQ-YLJYHZDGSA-N 0 3 384.484 1.617 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573309340 947197029 /nfs/dbraw/zinc/19/70/29/947197029.db2.gz HDWAXDKOGVRCDQ-YLJYHZDGSA-N 0 3 384.484 1.617 20 30 GDEDHN C=CCCCC(=O)N1CCO[C@H](CNCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573334509 947455786 /nfs/dbraw/zinc/45/57/86/947455786.db2.gz NELGKRINRRUDKS-MRXNPFEDSA-N 0 3 388.447 1.679 20 30 GDEDHN C=CCCCC(=O)N1CCO[C@@H](CNCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573334508 947456647 /nfs/dbraw/zinc/45/66/47/947456647.db2.gz NELGKRINRRUDKS-INIZCTEOSA-N 0 3 388.447 1.679 20 30 GDEDHN C=CCCOCC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C(C)(C)C1 ZINC001573337116 947514244 /nfs/dbraw/zinc/51/42/44/947514244.db2.gz UUIJYUVEMJVQNW-KRWDZBQOSA-N 0 3 384.484 1.786 20 30 GDEDHN C=CCCOCC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C(C)(C)C1 ZINC001573337116 947514255 /nfs/dbraw/zinc/51/42/55/947514255.db2.gz UUIJYUVEMJVQNW-KRWDZBQOSA-N 0 3 384.484 1.786 20 30 GDEDHN C=CCOCC(=O)N1CCC([N@H+](C)Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001573343760 947563026 /nfs/dbraw/zinc/56/30/26/947563026.db2.gz SCIOQDWIDQVRIH-UHFFFAOYSA-N 0 3 388.447 1.631 20 30 GDEDHN C=CCOCC(=O)N1CCC([N@@H+](C)Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001573343760 947563035 /nfs/dbraw/zinc/56/30/35/947563035.db2.gz SCIOQDWIDQVRIH-UHFFFAOYSA-N 0 3 388.447 1.631 20 30 GDEDHN C[C@@H]1[C@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575908898 950383603 /nfs/dbraw/zinc/38/36/03/950383603.db2.gz WZWQSESHAKGSKX-QMTHXVAHSA-N 0 3 382.453 1.521 20 30 GDEDHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574528039 950922342 /nfs/dbraw/zinc/92/23/42/950922342.db2.gz KCGNSXYTHBEMHD-STQMWFEESA-N 0 3 378.440 1.753 20 30 GDEDHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574528039 950922357 /nfs/dbraw/zinc/92/23/57/950922357.db2.gz KCGNSXYTHBEMHD-STQMWFEESA-N 0 3 378.440 1.753 20 30 GDEDHN C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]Cc1cccc(C#N)c1 ZINC001574530723 950998284 /nfs/dbraw/zinc/99/82/84/950998284.db2.gz WHNRHHRKNDGTSC-OLZOCXBDSA-N 0 3 378.440 1.753 20 30 GDEDHN C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]Cc1cccc(C#N)c1 ZINC001574530723 950998292 /nfs/dbraw/zinc/99/82/92/950998292.db2.gz WHNRHHRKNDGTSC-OLZOCXBDSA-N 0 3 378.440 1.753 20 30 GDEDHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)c1c[nH]c(C#N)c1 ZINC001575091400 951774919 /nfs/dbraw/zinc/77/49/19/951774919.db2.gz QNZDMFNRTLMUHX-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@](C[NH2+]Cc1ccc(C#N)cc1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575102694 951869830 /nfs/dbraw/zinc/86/98/30/951869830.db2.gz ONNZDVDXPWMMLA-HXUWFJFHSA-N 0 3 390.451 1.755 20 30 GDEDHN N#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3-c3nnn[n-]3)C2)[nH]1 ZINC001571155683 952699199 /nfs/dbraw/zinc/69/91/99/952699199.db2.gz XIOOADOJWHLSNK-CQSZACIVSA-N 0 3 380.387 1.210 20 30 GDEDHN N#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[n-]n3)C2)[nH]1 ZINC001571155683 952699206 /nfs/dbraw/zinc/69/92/06/952699206.db2.gz XIOOADOJWHLSNK-CQSZACIVSA-N 0 3 380.387 1.210 20 30 GDEDHN CCN(CC)CCN(Cc1cccs1)S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000409556196 531257357 /nfs/dbraw/zinc/25/73/57/531257357.db2.gz NLEKYAKAPPSYFM-HNNXBMFYSA-N 0 3 386.543 1.361 20 30 GDEDHN C=CCNc1nnc(S(=O)(=O)C(C)C(=O)NCCc2cccs2)s1 ZINC000479016192 531352097 /nfs/dbraw/zinc/35/20/97/531352097.db2.gz WIYLGGZCRPFPFU-SNVBAGLBSA-N 0 3 386.524 1.719 20 30 GDEDHN C#CCN(C)CCCNC(=O)c1cc(Cn2cc(Br)cn2)on1 ZINC000294064365 531460393 /nfs/dbraw/zinc/46/03/93/531460393.db2.gz VHFHQJOWEPHQBM-UHFFFAOYSA-N 0 3 380.246 1.367 20 30 GDEDHN COCCN(CCN(C)C)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000449846102 531478861 /nfs/dbraw/zinc/47/88/61/531478861.db2.gz VPSANPQJLKARJX-UHFFFAOYSA-N 0 3 384.274 1.736 20 30 GDEDHN N#Cc1ccc(NC(=O)C(=O)N[C@@H](CN)C2CCCC2)cc1Br ZINC000415822011 531537555 /nfs/dbraw/zinc/53/75/55/531537555.db2.gz JTEPHCLWKOQMMN-AWEZNQCLSA-N 0 3 379.258 1.893 20 30 GDEDHN C=CCN1CCC(NC(=O)N[C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000280922815 531558700 /nfs/dbraw/zinc/55/87/00/531558700.db2.gz PSTGMXOVDAJKOZ-HNNXBMFYSA-N 0 3 395.301 1.925 20 30 GDEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@H](CO)c2ccccc2Cl)nc1 ZINC000584292079 531612556 /nfs/dbraw/zinc/61/25/56/531612556.db2.gz RXKNWYQHHHZBDY-CQSZACIVSA-N 0 3 379.869 1.746 20 30 GDEDHN CN1C[C@@H]2CN(S(=O)(=O)c3cc(Br)c(C#N)cc3F)C[C@@H]2C1 ZINC000296425445 531693987 /nfs/dbraw/zinc/69/39/87/531693987.db2.gz VTPOZOHRGBNRSJ-PHIMTYICSA-N 0 3 388.262 1.642 20 30 GDEDHN CN(C)C[C@]1(O)CCCN(C(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000597582398 531948604 /nfs/dbraw/zinc/94/86/04/531948604.db2.gz BTHPETNVQKLSSG-QGZVFWFLSA-N 0 3 380.286 1.778 20 30 GDEDHN C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(C#N)c2Br)CCN1C ZINC000419667970 531949916 /nfs/dbraw/zinc/94/99/16/531949916.db2.gz CPFQZSVGTFSHFF-JQWIXIFHSA-N 0 3 379.258 1.858 20 30 GDEDHN C[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1Br)N1CCCC1 ZINC000578610389 532053211 /nfs/dbraw/zinc/05/32/11/532053211.db2.gz PDRNSEAMDIROPS-LLVKDONJSA-N 0 3 379.258 1.860 20 30 GDEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000602543915 532080377 /nfs/dbraw/zinc/08/03/77/532080377.db2.gz CMCSGAYEAJBQEU-UONOGXRCSA-N 0 3 379.258 1.692 20 30 GDEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000602543912 532079656 /nfs/dbraw/zinc/07/96/56/532079656.db2.gz CMCSGAYEAJBQEU-KBPBESRZSA-N 0 3 379.258 1.692 20 30 GDEDHN Cc1c(NC(=O)C(=O)NCCOCCN(C)C)ccc(Br)c1C#N ZINC000425756724 532150326 /nfs/dbraw/zinc/15/03/26/532150326.db2.gz NKXNWDWBQQGRGA-UHFFFAOYSA-N 0 3 397.273 1.262 20 30 GDEDHN C#CCC[NH+]1CCC(NC(=O)[C@@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)CC1 ZINC000819693470 599392421 /nfs/dbraw/zinc/39/24/21/599392421.db2.gz SFAWXXSEMOIHMZ-IBGZPJMESA-N 0 3 396.495 1.874 20 30 GDEDHN C#CCC[NH+]1CCC(NC(=O)[C@@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)CC1 ZINC000819693470 599392426 /nfs/dbraw/zinc/39/24/26/599392426.db2.gz SFAWXXSEMOIHMZ-IBGZPJMESA-N 0 3 396.495 1.874 20 30 GDEDHN COc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1-c1nnn[n-]1 ZINC000821809796 599425238 /nfs/dbraw/zinc/42/52/38/599425238.db2.gz RZSPCNSSSZJUOC-UHFFFAOYSA-N 0 3 390.451 1.901 20 30 GDEDHN COc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1-c1nn[n-]n1 ZINC000821809796 599425239 /nfs/dbraw/zinc/42/52/39/599425239.db2.gz RZSPCNSSSZJUOC-UHFFFAOYSA-N 0 3 390.451 1.901 20 30 GDEDHN COc1ccc(CON=C(N)c2ccc(C[NH+](C)C)cc2)cc1-c1nnn[n-]1 ZINC000826206761 607973669 /nfs/dbraw/zinc/97/36/69/607973669.db2.gz KFWMJOZYKXQEBI-UHFFFAOYSA-N 0 3 381.440 1.774 20 30 GDEDHN COc1ccc(CON=C(N)c2ccc(C[NH+](C)C)cc2)cc1-c1nn[n-]n1 ZINC000826206761 607973670 /nfs/dbraw/zinc/97/36/70/607973670.db2.gz KFWMJOZYKXQEBI-UHFFFAOYSA-N 0 3 381.440 1.774 20 30 GDEDHN CN(CCC#N)C(=O)CC[N@@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000825914571 608088603 /nfs/dbraw/zinc/08/86/03/608088603.db2.gz KIEGJFBDQHBMEB-UHFFFAOYSA-N 0 3 382.472 1.141 20 30 GDEDHN CN(CCC#N)C(=O)CC[N@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000825914571 608088604 /nfs/dbraw/zinc/08/86/04/608088604.db2.gz KIEGJFBDQHBMEB-UHFFFAOYSA-N 0 3 382.472 1.141 20 30 GDEDHN CN(CCC#N)C(=O)CC[N@@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000825914571 608088605 /nfs/dbraw/zinc/08/86/05/608088605.db2.gz KIEGJFBDQHBMEB-UHFFFAOYSA-N 0 3 382.472 1.141 20 30 GDEDHN CN(CCC#N)C(=O)CC[N@H+]1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000825914571 608088606 /nfs/dbraw/zinc/08/86/06/608088606.db2.gz KIEGJFBDQHBMEB-UHFFFAOYSA-N 0 3 382.472 1.141 20 30 GDEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000131065757 644743520 /nfs/dbraw/zinc/74/35/20/644743520.db2.gz VJMCPDYWNACMSF-BDAKNGLRSA-N 0 3 386.271 1.862 20 30 GDEDHN [NH2+]=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)NC1CCCCC1 ZINC000262803304 645140264 /nfs/dbraw/zinc/14/02/64/645140264.db2.gz RRRXWIZFPGRIQF-UHFFFAOYSA-N 0 3 376.885 1.994 20 30 GDEDHN N#CC(C(=O)CS(=O)(=O)c1cccc(Br)c1)C(=O)N1CCCC1 ZINC000916874526 660202788 /nfs/dbraw/zinc/20/27/88/660202788.db2.gz BMRGHWYBEDRAHR-CYBMUJFWSA-N 0 3 399.266 1.554 20 30 GDEDHN CS(=O)(=O)N1CCC(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000916883729 660203071 /nfs/dbraw/zinc/20/30/71/660203071.db2.gz SXZXAPJJTVSTCJ-CQSZACIVSA-N 0 3 383.857 1.659 20 30 GDEDHN N#CCCC[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000424074617 646160624 /nfs/dbraw/zinc/16/06/24/646160624.db2.gz HQTXOUGUCVIICA-NSHDSACASA-N 0 3 390.918 1.256 20 30 GDEDHN N#CCCC[C@@H](N)C(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000424178011 646161366 /nfs/dbraw/zinc/16/13/66/646161366.db2.gz VTHMOGAYXMEGKV-ZIAGYGMSSA-N 0 3 379.258 1.470 20 30 GDEDHN Cc1cc(S(=O)(=O)C(C)C(=O)NC(=O)NCC(F)(F)F)ccc1C#N ZINC000424198565 646161955 /nfs/dbraw/zinc/16/19/55/646161955.db2.gz BOGLIZCOBFNACW-VIFPVBQESA-N 0 3 377.344 1.417 20 30 GDEDHN CC(C)[C@H]1N(C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)Cc1csc(C#N)c1)C2 ZINC000920274344 660268429 /nfs/dbraw/zinc/26/84/29/660268429.db2.gz NECNIWXMCGWWLI-QBPKDAKJSA-N 0 3 383.539 1.519 20 30 GDEDHN N#Cc1cc(Br)ccc1CC(=O)N[C@@H](CO)CN1CCCCC1 ZINC000593701369 652238994 /nfs/dbraw/zinc/23/89/94/652238994.db2.gz GNHMHVAJVFAKIG-MRXNPFEDSA-N 0 3 380.286 1.826 20 30 GDEDHN C#CCNC(=O)C1CCN(C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000747820405 654792195 /nfs/dbraw/zinc/79/21/95/654792195.db2.gz UEHOFNXWHXKLFW-MRXNPFEDSA-N 0 3 395.297 1.650 20 30 GDEDHN CNS(=O)(=O)[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000750199835 654850025 /nfs/dbraw/zinc/85/00/25/654850025.db2.gz HKGBPUXFJWOIMH-RYUDHWBXSA-N 0 3 378.479 1.096 20 30 GDEDHN C[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CCS1(=O)=O ZINC000759998871 655099305 /nfs/dbraw/zinc/09/93/05/655099305.db2.gz JLRNLSKXDSJQFE-QWHCGFSZSA-N 0 3 377.491 1.982 20 30 GDEDHN CS(=O)(=O)C1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000760933585 655129247 /nfs/dbraw/zinc/12/92/47/655129247.db2.gz PSLLDKGQIUPISK-CYBMUJFWSA-N 0 3 377.491 1.982 20 30 GDEDHN C#CCN(C)CCCNC(=O)N[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000836491423 655145577 /nfs/dbraw/zinc/14/55/77/655145577.db2.gz RNIDHJXLTIHVSG-HNNXBMFYSA-N 0 3 386.265 1.876 20 30 GDEDHN Cc1nn(CC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(=O)n1C ZINC000847624501 655473643 /nfs/dbraw/zinc/47/36/43/655473643.db2.gz SELOTZAPVKBBFC-SNVBAGLBSA-N 0 3 382.207 1.545 20 30 GDEDHN C#CCN1CCC(C(=O)NN2C(=O)c3ccc(Br)cc3C2=O)CC1 ZINC000848271879 655486520 /nfs/dbraw/zinc/48/65/20/655486520.db2.gz VFYZUYKFLTZJPK-UHFFFAOYSA-N 0 3 390.237 1.422 20 30 GDEDHN C#CCOc1ccc(Br)cc1CNC[C@]12COC(=O)N1CCOC2 ZINC000865769424 655926131 /nfs/dbraw/zinc/92/61/31/655926131.db2.gz WLWCGPKNHBOXDU-KRWDZBQOSA-N 0 3 395.253 1.772 20 30 GDEDHN COC(=O)c1cc(C#N)cnc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880415 721177198 /nfs/dbraw/zinc/17/71/98/721177198.db2.gz WKHMYHYKMMAIMQ-QZTJIDSGSA-N 0 3 393.447 1.615 20 30 GDEDHN N#Cc1ccc(C(=O)N2CCCC[C@H]2C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)[nH]1 ZINC001571298186 946208830 /nfs/dbraw/zinc/20/88/30/946208830.db2.gz BOMQOCPJQJJGBM-KRWDZBQOSA-N 0 3 390.451 1.851 20 30 GDEDHN N#Cc1ccc(C(=O)N2CCCC[C@H]2C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)[nH]1 ZINC001571298186 946208837 /nfs/dbraw/zinc/20/88/37/946208837.db2.gz BOMQOCPJQJJGBM-KRWDZBQOSA-N 0 3 390.451 1.851 20 30 GDEDHN N#Cc1c[nH]c(C(=O)N[C@H]2CCC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)c1 ZINC001571299814 946261435 /nfs/dbraw/zinc/26/14/35/946261435.db2.gz VIZUFOLNBDYMNA-SJORKVTESA-N 0 3 390.451 1.897 20 30 GDEDHN N#Cc1c[nH]c(C(=O)N[C@H]2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC001571299814 946261446 /nfs/dbraw/zinc/26/14/46/946261446.db2.gz VIZUFOLNBDYMNA-SJORKVTESA-N 0 3 390.451 1.897 20 30 GDEDHN N#Cc1cc(C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccccc2-c2nnn[n-]2)c[nH]1 ZINC001571300140 946273119 /nfs/dbraw/zinc/27/31/19/946273119.db2.gz ZRTQXGYDWINLMP-KRWDZBQOSA-N 0 3 390.451 1.851 20 30 GDEDHN N#Cc1cc(C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccccc2-c2nn[n-]n2)c[nH]1 ZINC001571300140 946273131 /nfs/dbraw/zinc/27/31/31/946273131.db2.gz ZRTQXGYDWINLMP-KRWDZBQOSA-N 0 3 390.451 1.851 20 30 GDEDHN C#CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573283593 946719795 /nfs/dbraw/zinc/71/97/95/946719795.db2.gz VNNVZHVLYIEUEL-MAUKXSAKSA-N 0 3 381.484 1.925 20 30 GDEDHN C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573283593 946719802 /nfs/dbraw/zinc/71/98/02/946719802.db2.gz VNNVZHVLYIEUEL-MAUKXSAKSA-N 0 3 381.484 1.925 20 30 GDEDHN C#CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573283593 946719813 /nfs/dbraw/zinc/71/98/13/946719813.db2.gz VNNVZHVLYIEUEL-MAUKXSAKSA-N 0 3 381.484 1.925 20 30 GDEDHN C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573283593 946719823 /nfs/dbraw/zinc/71/98/23/946719823.db2.gz VNNVZHVLYIEUEL-MAUKXSAKSA-N 0 3 381.484 1.925 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573286399 946805421 /nfs/dbraw/zinc/80/54/21/946805421.db2.gz ARZUQMJGGKKZTK-RDJZCZTQSA-N 0 3 382.468 1.376 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573286399 946805426 /nfs/dbraw/zinc/80/54/26/946805426.db2.gz ARZUQMJGGKKZTK-RDJZCZTQSA-N 0 3 382.468 1.376 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573286399 946805438 /nfs/dbraw/zinc/80/54/38/946805438.db2.gz ARZUQMJGGKKZTK-RDJZCZTQSA-N 0 3 382.468 1.376 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573286399 946805449 /nfs/dbraw/zinc/80/54/49/946805449.db2.gz ARZUQMJGGKKZTK-RDJZCZTQSA-N 0 3 382.468 1.376 20 30 GDEDHN C#Cc1cncc(C(=O)N[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C2CC2)c1 ZINC001573291628 946921470 /nfs/dbraw/zinc/92/14/70/946921470.db2.gz GTQJSXJRWWGGQU-IBGZPJMESA-N 0 3 387.447 1.541 20 30 GDEDHN C#Cc1cncc(C(=O)N[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C2CC2)c1 ZINC001573291628 946921481 /nfs/dbraw/zinc/92/14/81/946921481.db2.gz GTQJSXJRWWGGQU-IBGZPJMESA-N 0 3 387.447 1.541 20 30 GDEDHN C=C(Br)CN[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC1 ZINC001573291849 946925163 /nfs/dbraw/zinc/92/51/63/946925163.db2.gz KRRHRPSDYUPHHM-GFCCVEGCSA-N 0 3 380.250 1.201 20 30 GDEDHN C=C(Br)CNC[C@@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC1 ZINC001573293483 946958306 /nfs/dbraw/zinc/95/83/06/946958306.db2.gz XQOXDPOUNHAVIG-GFCCVEGCSA-N 0 3 380.250 1.201 20 30 GDEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001573294547 946992500 /nfs/dbraw/zinc/99/25/00/946992500.db2.gz HKSGWYIVRSFIMV-FHWLQOOXSA-N 0 3 396.495 1.832 20 30 GDEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001573294547 946992505 /nfs/dbraw/zinc/99/25/05/946992505.db2.gz HKSGWYIVRSFIMV-FHWLQOOXSA-N 0 3 396.495 1.832 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573566583 947027021 /nfs/dbraw/zinc/02/70/21/947027021.db2.gz DIIYUYXRWFPAPE-DZGCQCFKSA-N 0 3 385.447 1.978 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573566583 947027031 /nfs/dbraw/zinc/02/70/31/947027031.db2.gz DIIYUYXRWFPAPE-DZGCQCFKSA-N 0 3 385.447 1.978 20 30 GDEDHN C[C@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573569662 947075352 /nfs/dbraw/zinc/07/53/52/947075352.db2.gz DKBYGGXXQBNUBZ-IOASZLSFSA-N 0 3 385.447 1.882 20 30 GDEDHN C[C@@H](C#N)C(=O)NC1CC2(C1)CC([NH2+]Cc1ccc(-c3nnn[n-]3)c(F)c1)C2 ZINC001573573502 947123471 /nfs/dbraw/zinc/12/34/71/947123471.db2.gz ODRZFPIJTQHYBL-AIMVFPRCSA-N 0 3 383.431 1.682 20 30 GDEDHN C[C@@H](C#N)C(=O)NC1CC2(C1)CC([NH2+]Cc1ccc(-c3nn[n-]n3)c(F)c1)C2 ZINC001573573502 947123478 /nfs/dbraw/zinc/12/34/78/947123478.db2.gz ODRZFPIJTQHYBL-AIMVFPRCSA-N 0 3 383.431 1.682 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573309812 947209784 /nfs/dbraw/zinc/20/97/84/947209784.db2.gz OUQXFIBQSHDMGB-HLIPFELVSA-N 0 3 384.484 1.711 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573309812 947209790 /nfs/dbraw/zinc/20/97/90/947209790.db2.gz OUQXFIBQSHDMGB-HLIPFELVSA-N 0 3 384.484 1.711 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N(CC[N@H+](C)Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC001573310226 947217468 /nfs/dbraw/zinc/21/74/68/947217468.db2.gz VJFOQIGEEJOXLT-FQEVSTJZSA-N 0 3 386.500 1.863 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N(CC[N@@H+](C)Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC001573310226 947217479 /nfs/dbraw/zinc/21/74/79/947217479.db2.gz VJFOQIGEEJOXLT-FQEVSTJZSA-N 0 3 386.500 1.863 20 30 GDEDHN C[C@H](C#N)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001573585414 947255412 /nfs/dbraw/zinc/25/54/12/947255412.db2.gz FRVYNYLRWAPCQJ-XJKCOSOUSA-N 0 3 385.447 1.930 20 30 GDEDHN C[C@H](C#N)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001573585414 947255418 /nfs/dbraw/zinc/25/54/18/947255418.db2.gz FRVYNYLRWAPCQJ-XJKCOSOUSA-N 0 3 385.447 1.930 20 30 GDEDHN C=CCC1(C(=O)NC[C@@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC001573326334 947372422 /nfs/dbraw/zinc/37/24/22/947372422.db2.gz NREAJRYIKDYZFS-OAHLLOKOSA-N 0 3 384.484 1.834 20 30 GDEDHN C=CCC1(C(=O)NC[C@@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC001573326334 947372434 /nfs/dbraw/zinc/37/24/34/947372434.db2.gz NREAJRYIKDYZFS-OAHLLOKOSA-N 0 3 384.484 1.834 20 30 GDEDHN C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1OCC ZINC001573333903 947443672 /nfs/dbraw/zinc/44/36/72/947443672.db2.gz HKDPSRLQHSPZMF-YSVLISHTSA-N 0 3 387.488 1.616 20 30 GDEDHN C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1OCC ZINC001573333903 947443685 /nfs/dbraw/zinc/44/36/85/947443685.db2.gz HKDPSRLQHSPZMF-YSVLISHTSA-N 0 3 387.488 1.616 20 30 GDEDHN C[C@@H](NC(=O)C#CC1CC1)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001575248097 949057633 /nfs/dbraw/zinc/05/76/33/949057633.db2.gz NIZHPLOLRMIFTP-DNVCBOLYSA-N 0 3 378.480 1.997 20 30 GDEDHN C[C@@H](NC(=O)C#CC1CC1)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575248097 949057679 /nfs/dbraw/zinc/05/76/79/949057679.db2.gz NIZHPLOLRMIFTP-DNVCBOLYSA-N 0 3 378.480 1.997 20 30 GDEDHN C[C@@H](NC(=O)C#CC1CC1)[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001575248097 949057614 /nfs/dbraw/zinc/05/76/14/949057614.db2.gz NIZHPLOLRMIFTP-DNVCBOLYSA-N 0 3 378.480 1.997 20 30 GDEDHN C[C@@H](NC(=O)C#CC1CC1)[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575248097 949057653 /nfs/dbraw/zinc/05/76/53/949057653.db2.gz NIZHPLOLRMIFTP-DNVCBOLYSA-N 0 3 378.480 1.997 20 30 GDEDHN C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575907368 950329010 /nfs/dbraw/zinc/32/90/10/950329010.db2.gz NQTWMZFMEKSVLY-GWCFXTLKSA-N 0 3 382.453 1.521 20 30 GDEDHN C[C@H]1[C@@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575908161 950355750 /nfs/dbraw/zinc/35/57/50/950355750.db2.gz AOVMSFCNRQUZIA-LRDDRELGSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@H]1[C@@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575908161 950355771 /nfs/dbraw/zinc/35/57/71/950355771.db2.gz AOVMSFCNRQUZIA-LRDDRELGSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574527575 950896122 /nfs/dbraw/zinc/89/61/22/950896122.db2.gz DNGYDEVJNNQEHM-STQMWFEESA-N 0 3 378.440 1.753 20 30 GDEDHN C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574527575 950896149 /nfs/dbraw/zinc/89/61/49/950896149.db2.gz DNGYDEVJNNQEHM-STQMWFEESA-N 0 3 378.440 1.753 20 30 GDEDHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574527870 950907949 /nfs/dbraw/zinc/90/79/49/950907949.db2.gz IEIGDOCKVNXARA-QWHCGFSZSA-N 0 3 378.440 1.753 20 30 GDEDHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574527870 950907966 /nfs/dbraw/zinc/90/79/66/950907966.db2.gz IEIGDOCKVNXARA-QWHCGFSZSA-N 0 3 378.440 1.753 20 30 GDEDHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC001575020310 951056430 /nfs/dbraw/zinc/05/64/30/951056430.db2.gz YPHFFLDGLXEAFD-GFCCVEGCSA-N 0 3 380.412 1.005 20 30 GDEDHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]Cc1cc(C#N)ccc1F ZINC001575078279 951679462 /nfs/dbraw/zinc/67/94/62/951679462.db2.gz LCBLNQOPPYHYBZ-NSHDSACASA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@H](CNC(=O)c1cc(C#N)c[nH]1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575081181 951719816 /nfs/dbraw/zinc/71/98/16/951719816.db2.gz PEYPQLOVQIBTSW-NSHDSACASA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@H](CNC(=O)c1cc(C#N)c[nH]1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575081181 951719819 /nfs/dbraw/zinc/71/98/19/951719819.db2.gz PEYPQLOVQIBTSW-NSHDSACASA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@](C[NH2+]Cc1cccc(C#N)c1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575114634 951959018 /nfs/dbraw/zinc/95/90/18/951959018.db2.gz RPIWHTPSWZOTOD-HXUWFJFHSA-N 0 3 390.451 1.755 20 30 GDEDHN CS(=O)(=O)NCC[C@@H]1CCCCN1CCC(=O)Nc1sccc1C#N ZINC000126092529 531014991 /nfs/dbraw/zinc/01/49/91/531014991.db2.gz FKWGGDKGVNGNRH-AWEZNQCLSA-N 0 3 384.527 1.742 20 30 GDEDHN CN(C)CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000155310772 531199476 /nfs/dbraw/zinc/19/94/76/531199476.db2.gz VCHRTNHMUOPTBD-UHFFFAOYSA-N 0 3 384.933 1.858 20 30 GDEDHN N#CC(C(=O)Nc1ccc(Br)cc1Cl)c1nc(N)nc(N)n1 ZINC000155484534 531200650 /nfs/dbraw/zinc/20/06/50/531200650.db2.gz JAGUWLPDJCLXRF-LURJTMIESA-N 0 3 382.609 1.698 20 30 GDEDHN CC(C#N)C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000524392271 531276549 /nfs/dbraw/zinc/27/65/49/531276549.db2.gz SPYOTZIDNRATFX-NSHDSACASA-N 0 3 386.271 1.442 20 30 GDEDHN C=CCN1CCC(NC(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000528447354 531357625 /nfs/dbraw/zinc/35/76/25/531357625.db2.gz GRYRFMMQCZRFKV-UHFFFAOYSA-N 0 3 389.880 1.524 20 30 GDEDHN CN(C)CCN1C[C@H](C(=O)N[C@@H](C#N)c2ccc(Br)cc2)CC1=O ZINC000266860358 531373315 /nfs/dbraw/zinc/37/33/15/531373315.db2.gz UPSVZFOHEGMIOR-HIFRSBDPSA-N 0 3 393.285 1.540 20 30 GDEDHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000294741202 531494320 /nfs/dbraw/zinc/49/43/20/531494320.db2.gz LIVRQUXDSJUFHF-BXUZGUMPSA-N 0 3 391.269 1.954 20 30 GDEDHN CNS(=O)(=O)C[C@H]1CCCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000494751630 531622095 /nfs/dbraw/zinc/62/20/95/531622095.db2.gz GTNAIVRBCTYFHF-CQSZACIVSA-N 0 3 384.889 1.554 20 30 GDEDHN N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)cc1Br ZINC000588375646 531653201 /nfs/dbraw/zinc/65/32/01/531653201.db2.gz OPWRZSYMEMTYCY-AWEZNQCLSA-N 0 3 391.269 1.860 20 30 GDEDHN Cc1ncsc1CN(C)C[C@H]1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)C1 ZINC000282387854 531746728 /nfs/dbraw/zinc/74/67/28/531746728.db2.gz RGSWAOCJXLSGAL-UKRRQHHQSA-N 0 3 385.559 1.542 20 30 GDEDHN C=CCSCCNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000570956180 531943710 /nfs/dbraw/zinc/94/37/10/531943710.db2.gz WURAYOUAMYGNEN-UHFFFAOYSA-N 0 3 392.568 1.219 20 30 GDEDHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000332550912 532194266 /nfs/dbraw/zinc/19/42/66/532194266.db2.gz JQSWBDVFXNBJDJ-WCQYABFASA-N 0 3 391.269 1.954 20 30 GDEDHN COc1ccc(C[NH2+]C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc1C#N ZINC000821810376 599425765 /nfs/dbraw/zinc/42/57/65/599425765.db2.gz ZUTJRKCOXRJENP-UHFFFAOYSA-N 0 3 390.451 1.901 20 30 GDEDHN COc1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cc1C#N ZINC000821810376 599425766 /nfs/dbraw/zinc/42/57/66/599425766.db2.gz ZUTJRKCOXRJENP-UHFFFAOYSA-N 0 3 390.451 1.901 20 30 GDEDHN CN(C)CCn1cc(NS(=O)(=O)c2ccc(C#N)cc2Cl)ccc1=O ZINC000546564668 650478730 /nfs/dbraw/zinc/47/87/30/650478730.db2.gz WDQDXXXULOFZAO-UHFFFAOYSA-N 0 3 380.857 1.736 20 30 GDEDHN CNC(=O)C(C#N)C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000051348637 644412571 /nfs/dbraw/zinc/41/25/71/644412571.db2.gz BUONPSMDTKIEBV-CQSZACIVSA-N 0 3 392.253 1.756 20 30 GDEDHN COCCCNC(=O)C(C#N)C(=O)Cc1cc(Br)ccc1OC ZINC000173940225 644894786 /nfs/dbraw/zinc/89/47/86/644894786.db2.gz BUUXXGASNSPZAF-ZDUSSCGKSA-N 0 3 383.242 1.862 20 30 GDEDHN CN(C)C(=O)CN1CCC(NCc2cc(C#N)ccc2Br)CC1 ZINC000921721364 660325913 /nfs/dbraw/zinc/32/59/13/660325913.db2.gz AVMNIFSTPIRFLB-UHFFFAOYSA-N 0 3 379.302 1.963 20 30 GDEDHN C[NH+](C)CCCN(CCC#N)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000609167343 652837357 /nfs/dbraw/zinc/83/73/57/652837357.db2.gz RXSGZUJWIKUXFP-UHFFFAOYSA-N 0 3 392.934 1.374 20 30 GDEDHN CNS(=O)(=O)[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000750199836 654850060 /nfs/dbraw/zinc/85/00/60/654850060.db2.gz HKGBPUXFJWOIMH-VXGBXAGGSA-N 0 3 378.479 1.096 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(Br)c(F)cc1C ZINC000815861286 655306869 /nfs/dbraw/zinc/30/68/69/655306869.db2.gz ZWVAKXZMVAGNFR-UHFFFAOYSA-N 0 3 384.249 1.906 20 30 GDEDHN Cn1cnnc1COCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000815908497 655308273 /nfs/dbraw/zinc/30/82/73/655308273.db2.gz CNUHYFMRIVFAFM-SNVBAGLBSA-N 0 3 382.207 1.986 20 30 GDEDHN CN1CC[C@H](C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)S1(=O)=O ZINC000842690122 655371295 /nfs/dbraw/zinc/37/12/95/655371295.db2.gz OUETZKYJLWXQHF-VXGBXAGGSA-N 0 3 390.248 1.675 20 30 GDEDHN C#CCN(C)CCCNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000818602902 655377214 /nfs/dbraw/zinc/37/72/14/655377214.db2.gz JBOXOZWNSZUNLN-UHFFFAOYSA-N 0 3 392.253 1.116 20 30 GDEDHN N#Cc1cc(Br)ccc1CC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000845344387 655427035 /nfs/dbraw/zinc/42/70/35/655427035.db2.gz VXJIKNQAFBISIA-HZPDHXFCSA-N 0 3 378.270 1.843 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cnc(OC)c(Br)c1C ZINC000850460160 655555776 /nfs/dbraw/zinc/55/57/76/655555776.db2.gz RNBKFVMMIVSROS-UHFFFAOYSA-N 0 3 397.273 1.171 20 30 GDEDHN C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@H]2CN3CCC2CC3)s1 ZINC000874456309 656471003 /nfs/dbraw/zinc/47/10/03/656471003.db2.gz KZUZLSPFEMDSAI-HNNXBMFYSA-N 0 3 383.539 1.308 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000876552988 656612926 /nfs/dbraw/zinc/61/29/26/656612926.db2.gz FRMWUBGCGOTBPU-INIZCTEOSA-N 0 3 385.917 1.606 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC000876552989 656613027 /nfs/dbraw/zinc/61/30/27/656613027.db2.gz FRMWUBGCGOTBPU-MRXNPFEDSA-N 0 3 385.917 1.606 20 30 GDEDHN N#CCCC[C@H](N)C(=O)N1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC000877123628 656654916 /nfs/dbraw/zinc/65/49/16/656654916.db2.gz MWNBKWZNQIPSHJ-HNNXBMFYSA-N 0 3 393.285 1.641 20 30 GDEDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883115453 657272781 /nfs/dbraw/zinc/27/27/81/657272781.db2.gz ZIJUESVFSZJTJJ-SNVBAGLBSA-N 0 3 395.261 1.299 20 30 GDEDHN CN1CCC(N(CCO)C(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000911942198 660022033 /nfs/dbraw/zinc/02/20/33/660022033.db2.gz MCAUVGJYAZTZOS-UHFFFAOYSA-N 0 3 396.285 1.615 20 30 GDEDHN C[NH+]=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCC[C@@H](C)C1 ZINC000161084441 677676848 /nfs/dbraw/zinc/67/68/48/677676848.db2.gz JSGCJEKEBQBDTL-LLVKDONJSA-N 0 3 378.951 1.987 20 30 GDEDHN CCc1nc(C#N)c(C#N)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164878624 721180581 /nfs/dbraw/zinc/18/05/81/721180581.db2.gz QRZLIEPIIOXPJK-SJORKVTESA-N 0 3 389.463 1.657 20 30 GDEDHN C#CCCCC(=O)N1CCC[C@](CO)([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573285481 946780870 /nfs/dbraw/zinc/78/08/70/946780870.db2.gz YOTXTANABBLJEX-FQEVSTJZSA-N 0 3 382.468 1.113 20 30 GDEDHN C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC001573289742 946891661 /nfs/dbraw/zinc/89/16/61/946891661.db2.gz PUFQYAGPFVNNHQ-KUHUBIRLSA-N 0 3 387.447 1.493 20 30 GDEDHN C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC001573289742 946891671 /nfs/dbraw/zinc/89/16/71/946891671.db2.gz PUFQYAGPFVNNHQ-KUHUBIRLSA-N 0 3 387.447 1.493 20 30 GDEDHN C#Cc1ccccc1CC(=O)N(C)CC[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573291014 946915658 /nfs/dbraw/zinc/91/56/58/946915658.db2.gz VNTSGHZKYLCBIW-UHFFFAOYSA-N 0 3 392.438 1.778 20 30 GDEDHN C#Cc1ccccc1CC(=O)N(C)CC[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573291014 946915661 /nfs/dbraw/zinc/91/56/61/946915661.db2.gz VNTSGHZKYLCBIW-UHFFFAOYSA-N 0 3 392.438 1.778 20 30 GDEDHN C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]21 ZINC001573294800 947000355 /nfs/dbraw/zinc/00/03/55/947000355.db2.gz HHHJINXMZBWAEW-RWMBFGLXSA-N 0 3 375.864 1.778 20 30 GDEDHN C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21 ZINC001573295213 947012010 /nfs/dbraw/zinc/01/20/10/947012010.db2.gz MOYIXLJQLKMGIX-MRVWCRGKSA-N 0 3 375.864 1.778 20 30 GDEDHN C[C@@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573570465 947088277 /nfs/dbraw/zinc/08/82/77/947088277.db2.gz PQVOHRSTXRGFQF-VHFSOBRXSA-N 0 3 379.468 1.745 20 30 GDEDHN C[C@@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573570465 947088294 /nfs/dbraw/zinc/08/82/94/947088294.db2.gz PQVOHRSTXRGFQF-VHFSOBRXSA-N 0 3 379.468 1.745 20 30 GDEDHN C[C@H](C#N)C(=O)N[C@@H]1CC12CC[NH+](Cc1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC001573575339 947137164 /nfs/dbraw/zinc/13/71/64/947137164.db2.gz XILRVQPCFZVHFM-MLGOLLRUSA-N 0 3 383.431 1.636 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573310641 947227597 /nfs/dbraw/zinc/22/75/97/947227597.db2.gz YRMHRHVIYHHQPM-IFXJQAMLSA-N 0 3 388.447 1.414 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573310641 947227608 /nfs/dbraw/zinc/22/76/08/947227608.db2.gz YRMHRHVIYHHQPM-IFXJQAMLSA-N 0 3 388.447 1.414 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)NCC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573310850 947229115 /nfs/dbraw/zinc/22/91/15/947229115.db2.gz ZYSDIPSHKUZJDJ-KPZWWZAWSA-N 0 3 376.436 1.317 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)NCC[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573310850 947229120 /nfs/dbraw/zinc/22/91/20/947229120.db2.gz ZYSDIPSHKUZJDJ-KPZWWZAWSA-N 0 3 376.436 1.317 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573350728 947601947 /nfs/dbraw/zinc/60/19/47/947601947.db2.gz JHBLNZXRLRLYOP-UHOSZYNNSA-N 0 3 396.495 1.786 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573350728 947601955 /nfs/dbraw/zinc/60/19/55/947601955.db2.gz JHBLNZXRLRLYOP-UHOSZYNNSA-N 0 3 396.495 1.786 20 30 GDEDHN CC#CC[NH2+]C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C(F)(F)F ZINC001573359258 947683401 /nfs/dbraw/zinc/68/34/01/947683401.db2.gz XOMLYDMCYDYJMM-WDEREUQCSA-N 0 3 381.362 1.058 20 30 GDEDHN C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574746817 950401050 /nfs/dbraw/zinc/40/10/50/950401050.db2.gz PUZDZZCTOYZMJB-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574746817 950401064 /nfs/dbraw/zinc/40/10/64/950401064.db2.gz PUZDZZCTOYZMJB-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575077480 951669359 /nfs/dbraw/zinc/66/93/59/951669359.db2.gz FFXQYISFFCZMOM-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575077480 951669365 /nfs/dbraw/zinc/66/93/65/951669365.db2.gz FFXQYISFFCZMOM-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)c1cc(C#N)c[nH]1 ZINC001575079468 951692048 /nfs/dbraw/zinc/69/20/48/951692048.db2.gz FEHMPIBYHDIRKE-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)c1cc(C#N)c[nH]1 ZINC001575079468 951692061 /nfs/dbraw/zinc/69/20/61/951692061.db2.gz FEHMPIBYHDIRKE-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001575105426 951894028 /nfs/dbraw/zinc/89/40/28/951894028.db2.gz JGQZWROLHGVZFR-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001575105426 951894035 /nfs/dbraw/zinc/89/40/35/951894035.db2.gz JGQZWROLHGVZFR-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@@](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)(NC(=O)c1c[nH]c(C#N)c1)C1CC1 ZINC001575105466 951896492 /nfs/dbraw/zinc/89/64/92/951896492.db2.gz KHAUETINKGGVEP-FQEVSTJZSA-N 0 3 390.451 1.755 20 30 GDEDHN C[C@@](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)(NC(=O)c1c[nH]c(C#N)c1)C1CC1 ZINC001575105466 951896496 /nfs/dbraw/zinc/89/64/96/951896496.db2.gz KHAUETINKGGVEP-FQEVSTJZSA-N 0 3 390.451 1.755 20 30 GDEDHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)c1c[nH]c(C#N)c1 ZINC001575106231 951902595 /nfs/dbraw/zinc/90/25/95/951902595.db2.gz RGWVPLAZDVHHTE-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)c1c[nH]c(C#N)c1 ZINC001575106231 951902598 /nfs/dbraw/zinc/90/25/98/951902598.db2.gz RGWVPLAZDVHHTE-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@@](C[NH2+]Cc1cccc(C#N)c1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575114633 951958206 /nfs/dbraw/zinc/95/82/06/951958206.db2.gz RPIWHTPSWZOTOD-FQEVSTJZSA-N 0 3 390.451 1.755 20 30 GDEDHN CC[NH+]1CCC(N2CCC(C(=O)N3CCC(C#N)(C(=O)[O-])CC3)CC2)CC1 ZINC001596409261 983990780 /nfs/dbraw/zinc/99/07/80/983990780.db2.gz VJIAXCHUTPWIOH-UHFFFAOYSA-N 0 3 376.501 1.400 20 30 GDEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cncc(Br)c2)CC1 ZINC000153995319 531175519 /nfs/dbraw/zinc/17/55/19/531175519.db2.gz MFAIRANIWZCOAD-UHFFFAOYSA-N 0 3 381.274 1.939 20 30 GDEDHN CN(CCC#N)C[C@H](O)CNCc1cnn(-c2ccc(Br)cc2)c1 ZINC000519596705 531215909 /nfs/dbraw/zinc/21/59/09/531215909.db2.gz UWQBASRCOCILGD-QGZVFWFLSA-N 0 3 392.301 1.931 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000481018915 531383440 /nfs/dbraw/zinc/38/34/40/531383440.db2.gz SIWVYSNELWEBQN-AAEUAGOBSA-N 0 3 385.467 1.071 20 30 GDEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)N(C)C1CC1 ZINC000293380133 531418588 /nfs/dbraw/zinc/41/85/88/531418588.db2.gz LDPSWVFVKWZSDJ-JTQLQIEISA-N 0 3 379.258 1.858 20 30 GDEDHN CN1CCN(CC2(C)CCN(S(=O)(=O)c3ccc(C#N)s3)CC2)CC1 ZINC000366657017 531766774 /nfs/dbraw/zinc/76/67/74/531766774.db2.gz KQUDCCNBYPTPBQ-UHFFFAOYSA-N 0 3 382.555 1.658 20 30 GDEDHN C[C@@H](CNC(=O)Cc1ccc(Br)cc1C#N)CN1CCN(C)CC1 ZINC000593467290 531836381 /nfs/dbraw/zinc/83/63/81/531836381.db2.gz NXDBUCIOYVKXSK-AWEZNQCLSA-N 0 3 393.329 1.863 20 30 GDEDHN CN1CC=C(CNC(=O)C(=O)Nc2cccc(C#N)c2Br)CC1 ZINC000419669498 531951459 /nfs/dbraw/zinc/95/14/59/531951459.db2.gz BMYZDAJIGIANNW-UHFFFAOYSA-N 0 3 377.242 1.637 20 30 GDEDHN C#CCN1CCC(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000299162561 531964496 /nfs/dbraw/zinc/96/44/96/531964496.db2.gz RYMYYJFAOVOBOV-UHFFFAOYSA-N 0 3 383.901 1.080 20 30 GDEDHN N#CCCC[C@@H](N)C(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000424178008 646161374 /nfs/dbraw/zinc/16/13/74/646161374.db2.gz VTHMOGAYXMEGKV-KGLIPLIRSA-N 0 3 379.258 1.470 20 30 GDEDHN N#Cc1cc(Br)ccc1CC(=O)NC[C@H]1CCCCN1CCO ZINC000593732276 652245157 /nfs/dbraw/zinc/24/51/57/652245157.db2.gz LWCKNVKCWGMFIG-MRXNPFEDSA-N 0 3 380.286 1.826 20 30 GDEDHN N#CCCCC[C@H](N)C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000594429720 652283513 /nfs/dbraw/zinc/28/35/13/652283513.db2.gz VZRVJVBZMSGBOJ-AWEZNQCLSA-N 0 3 381.274 1.706 20 30 GDEDHN N#CCCCC[C@@H](N)C(=O)NC[C@H](O)COc1ccccc1Br ZINC000594433787 652284242 /nfs/dbraw/zinc/28/42/42/652284242.db2.gz SRNMNMWRDSGBBL-GXTWGEPZSA-N 0 3 384.274 1.716 20 30 GDEDHN N#CCCCC[C@H](N)C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000594435242 652284332 /nfs/dbraw/zinc/28/43/32/652284332.db2.gz CHCZGZVSFZZVLQ-AWEZNQCLSA-N 0 3 381.274 1.706 20 30 GDEDHN N#Cc1c(Br)cccc1OCC(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000599941698 652519406 /nfs/dbraw/zinc/51/94/06/652519406.db2.gz XHTYFRYTWWKZIN-STQMWFEESA-N 0 3 394.269 1.367 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc2c(cc1Br)CCC2 ZINC000815860337 655306673 /nfs/dbraw/zinc/30/66/73/655306673.db2.gz HIIXSBXYSSFGKF-UHFFFAOYSA-N 0 3 392.297 1.948 20 30 GDEDHN N#Cc1cc(Br)ccc1CC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000845344389 655427043 /nfs/dbraw/zinc/42/70/43/655427043.db2.gz VXJIKNQAFBISIA-JKSUJKDBSA-N 0 3 378.270 1.843 20 30 GDEDHN C#CCOc1ccc(Br)cc1CNC[C@@]1(OCCO)CCOC1 ZINC000850357288 655552934 /nfs/dbraw/zinc/55/29/34/655552934.db2.gz DUDORUDUPQQAIR-KRWDZBQOSA-N 0 3 384.270 1.719 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000876564262 656614137 /nfs/dbraw/zinc/61/41/37/656614137.db2.gz HOIBFVJDCJYAQV-MRXNPFEDSA-N 0 3 385.917 1.947 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000876572923 656615222 /nfs/dbraw/zinc/61/52/22/656615222.db2.gz KJAJQBQRGXRNPR-OAHLLOKOSA-N 0 3 385.917 1.947 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000876599721 656616566 /nfs/dbraw/zinc/61/65/66/656616566.db2.gz IZQVAQGOQYIEPK-OAHLLOKOSA-N 0 3 392.953 1.110 20 30 GDEDHN C#CCN(C(=O)c1cc(Br)cn2ncnc12)C1CCN(C)CC1 ZINC000886572171 657675855 /nfs/dbraw/zinc/67/58/55/657675855.db2.gz ATJUSYHJFCZMNI-UHFFFAOYSA-N 0 3 376.258 1.661 20 30 GDEDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2nc(Cl)c(C#N)s2)CC1 ZINC000888416251 657901530 /nfs/dbraw/zinc/90/15/30/657901530.db2.gz ZBMMYTLXFZNJIG-SNVBAGLBSA-N 0 3 382.877 1.438 20 30 GDEDHN C#Cc1cncc(C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001573291212 946914394 /nfs/dbraw/zinc/91/43/94/946914394.db2.gz AJDRZCMUPKJIEJ-HUUCEWRRSA-N 0 3 389.463 1.930 20 30 GDEDHN C#Cc1cncc(C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573291212 946914401 /nfs/dbraw/zinc/91/44/01/946914401.db2.gz AJDRZCMUPKJIEJ-HUUCEWRRSA-N 0 3 389.463 1.930 20 30 GDEDHN C#Cc1cncc(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001573292237 946931376 /nfs/dbraw/zinc/93/13/76/946931376.db2.gz QPMQLLDUPNHXOJ-LBPRGKRZSA-N 0 3 379.399 1.290 20 30 GDEDHN C#Cc1cncc(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001573292237 946931381 /nfs/dbraw/zinc/93/13/81/946931381.db2.gz QPMQLLDUPNHXOJ-LBPRGKRZSA-N 0 3 379.399 1.290 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC(C[N@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC001573563721 946986461 /nfs/dbraw/zinc/98/64/61/946986461.db2.gz CKXDQRXWDFXUAO-CYBMUJFWSA-N 0 3 385.447 1.836 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC(C[N@@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC001573563721 946986467 /nfs/dbraw/zinc/98/64/67/946986467.db2.gz CKXDQRXWDFXUAO-CYBMUJFWSA-N 0 3 385.447 1.836 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC(C[N@H+](C)Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC001573563721 946986474 /nfs/dbraw/zinc/98/64/74/946986474.db2.gz CKXDQRXWDFXUAO-CYBMUJFWSA-N 0 3 385.447 1.836 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC(C[N@@H+](C)Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC001573563721 946986480 /nfs/dbraw/zinc/98/64/80/946986480.db2.gz CKXDQRXWDFXUAO-CYBMUJFWSA-N 0 3 385.447 1.836 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CC2(C1)CC[NH+](Cc1ccc(-c3nnn[n-]3)c(F)c1)CC2 ZINC001573565865 947017731 /nfs/dbraw/zinc/01/77/31/947017731.db2.gz WWAYTNGOVNEDMA-ZDUSSCGKSA-N 0 3 383.431 1.590 20 30 GDEDHN C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001573298385 947073260 /nfs/dbraw/zinc/07/32/60/947073260.db2.gz PBYOURSCCKZPOH-GUYCJALGSA-N 0 3 375.864 1.779 20 30 GDEDHN C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001573298385 947073266 /nfs/dbraw/zinc/07/32/66/947073266.db2.gz PBYOURSCCKZPOH-GUYCJALGSA-N 0 3 375.864 1.779 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573309031 947188221 /nfs/dbraw/zinc/18/82/21/947188221.db2.gz BRJRIPVACTYMDB-FYINFDKHSA-N 0 3 398.511 1.911 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573309031 947188225 /nfs/dbraw/zinc/18/82/25/947188225.db2.gz BRJRIPVACTYMDB-FYINFDKHSA-N 0 3 398.511 1.911 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573309338 947196318 /nfs/dbraw/zinc/19/63/18/947196318.db2.gz HDWAXDKOGVRCDQ-PXNSSMCTSA-N 0 3 384.484 1.617 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573309338 947196329 /nfs/dbraw/zinc/19/63/29/947196329.db2.gz HDWAXDKOGVRCDQ-PXNSSMCTSA-N 0 3 384.484 1.617 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573309401 947197972 /nfs/dbraw/zinc/19/79/72/947197972.db2.gz ILPPMKYHCGNXHQ-AUUYWEPGSA-N 0 3 388.447 1.271 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573309401 947197984 /nfs/dbraw/zinc/19/79/84/947197984.db2.gz ILPPMKYHCGNXHQ-AUUYWEPGSA-N 0 3 388.447 1.271 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573309379 947198629 /nfs/dbraw/zinc/19/86/29/947198629.db2.gz IDWDHGGTPZSAQI-FOIQADDNSA-N 0 3 384.484 1.522 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573309379 947198634 /nfs/dbraw/zinc/19/86/34/947198634.db2.gz IDWDHGGTPZSAQI-FOIQADDNSA-N 0 3 384.484 1.522 20 30 GDEDHN C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC001573586055 947274410 /nfs/dbraw/zinc/27/44/10/947274410.db2.gz YLXQGOSMVUCPDN-WIBUTAKZSA-N 0 3 379.468 1.887 20 30 GDEDHN C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC001573586055 947274418 /nfs/dbraw/zinc/27/44/18/947274418.db2.gz YLXQGOSMVUCPDN-WIBUTAKZSA-N 0 3 379.468 1.887 20 30 GDEDHN C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC001573586055 947274428 /nfs/dbraw/zinc/27/44/28/947274428.db2.gz YLXQGOSMVUCPDN-WIBUTAKZSA-N 0 3 379.468 1.887 20 30 GDEDHN C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC001573586055 947274442 /nfs/dbraw/zinc/27/44/42/947274442.db2.gz YLXQGOSMVUCPDN-WIBUTAKZSA-N 0 3 379.468 1.887 20 30 GDEDHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575908551 950370295 /nfs/dbraw/zinc/37/02/95/950370295.db2.gz UYIPQVSLCYOHGM-WBMJQRKESA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575908551 950370314 /nfs/dbraw/zinc/37/03/14/950370314.db2.gz UYIPQVSLCYOHGM-WBMJQRKESA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1cc(C#N)c[nH]1 ZINC001575080476 951711074 /nfs/dbraw/zinc/71/10/74/951711074.db2.gz WUNYKAFMQQKSJN-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)CSCC#N ZINC001575104854 951888149 /nfs/dbraw/zinc/88/81/49/951888149.db2.gz FGTQIORFEPICDE-NSHDSACASA-N 0 3 377.449 1.199 20 30 GDEDHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)CSCC#N ZINC001575104854 951888153 /nfs/dbraw/zinc/88/81/53/951888153.db2.gz FGTQIORFEPICDE-NSHDSACASA-N 0 3 377.449 1.199 20 30 GDEDHN N#Cc1ccc(C[NH2+]C2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)s1 ZINC001571210634 953072932 /nfs/dbraw/zinc/07/29/32/953072932.db2.gz VBVNQRJJXWNNMJ-UHFFFAOYSA-N 0 3 382.453 1.426 20 30 GDEDHN CCN1CCN(C[C@H](C)CNS(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000183744519 530819871 /nfs/dbraw/zinc/81/98/71/530819871.db2.gz IQVRYZLRLCIQLO-CQSZACIVSA-N 0 3 384.933 1.764 20 30 GDEDHN CN1CCC(n2c(=O)/c(=C/c3cc(Cl)cs3)sc2=C(C#N)C#N)CC1 ZINC000195367629 531022053 /nfs/dbraw/zinc/02/20/53/531022053.db2.gz PLXQTNWIZMTPBC-CHHVJCJISA-N 0 3 390.921 1.918 20 30 GDEDHN C#CCNC(=NC[C@H]1CCS(=O)(=O)C1)NCc1ccc(Br)cc1 ZINC000262428760 531120317 /nfs/dbraw/zinc/12/03/17/531120317.db2.gz SDKMNQVCAPVAEK-CQSZACIVSA-N 0 3 398.326 1.552 20 30 GDEDHN CN(C)CCN1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000449177578 531467928 /nfs/dbraw/zinc/46/79/28/531467928.db2.gz QFFVQPHFMTVNNB-UHFFFAOYSA-N 0 3 395.301 1.405 20 30 GDEDHN CN(C)CCN1C[C@@H](C(=O)N[C@H](C#N)c2ccccc2Br)CC1=O ZINC000610429125 531501516 /nfs/dbraw/zinc/50/15/16/531501516.db2.gz VFDVZMJWLKJUEI-SWLSCSKDSA-N 0 3 393.285 1.540 20 30 GDEDHN Cc1ncsc1CN(C)C[C@H]1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C1 ZINC000282387847 531747248 /nfs/dbraw/zinc/74/72/48/531747248.db2.gz RGSWAOCJXLSGAL-DZGCQCFKSA-N 0 3 385.559 1.542 20 30 GDEDHN CN(C)C1(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 ZINC000592808679 531804110 /nfs/dbraw/zinc/80/41/10/531804110.db2.gz WQLQICQTFURRMO-UHFFFAOYSA-N 0 3 377.286 1.967 20 30 GDEDHN CCN1CCC(NC(=O)C(=O)Nc2cccc(C#N)c2Br)CC1 ZINC000419655097 531948385 /nfs/dbraw/zinc/94/83/85/531948385.db2.gz SJDMYCXQGQZYJV-UHFFFAOYSA-N 0 3 379.258 1.860 20 30 GDEDHN N#CC1(C[C@H](O)C[NH2+]CC[N-]S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000600742463 532052894 /nfs/dbraw/zinc/05/28/94/532052894.db2.gz WFWLVQXZKRURRA-LBPRGKRZSA-N 0 3 375.853 1.402 20 30 GDEDHN N#CCCC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000424077666 532081861 /nfs/dbraw/zinc/08/18/61/532081861.db2.gz OFMHINWIIPQXGM-OAHLLOKOSA-N 0 3 384.889 1.194 20 30 GDEDHN N#Cc1cccc(NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)c1Br ZINC000332556848 532195097 /nfs/dbraw/zinc/19/50/97/532195097.db2.gz NOBCSPGHJXNSGV-GFCCVEGCSA-N 0 3 377.242 1.566 20 30 GDEDHN C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)CC1 ZINC000819722356 599603616 /nfs/dbraw/zinc/60/36/16/599603616.db2.gz HLWMCFBQHXGLHT-UHFFFAOYSA-N 0 3 383.456 1.270 20 30 GDEDHN C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000819722356 599603618 /nfs/dbraw/zinc/60/36/18/599603618.db2.gz HLWMCFBQHXGLHT-UHFFFAOYSA-N 0 3 383.456 1.270 20 30 GDEDHN N#CCCC[C@@H](N)C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000566295903 650839484 /nfs/dbraw/zinc/83/94/84/650839484.db2.gz ZHWNBDGBJPZVDU-OAHLLOKOSA-N 0 3 395.301 1.923 20 30 GDEDHN CC(C)[C@@H]1N(C)C[C@@]12C[C@@H](O)[C@H](NS(=O)(=O)Cc1csc(C#N)c1)C2 ZINC000920274348 660268556 /nfs/dbraw/zinc/26/85/56/660268556.db2.gz NECNIWXMCGWWLI-WCXIOVBPSA-N 0 3 383.539 1.519 20 30 GDEDHN N#Cc1ccc(OCC(=O)N[C@H]2CCCN(CCCO)C2)cc1Br ZINC000452386669 647322329 /nfs/dbraw/zinc/32/23/29/647322329.db2.gz NMBHBOQMJQLXAF-AWEZNQCLSA-N 0 3 396.285 1.663 20 30 GDEDHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000595194713 652396944 /nfs/dbraw/zinc/39/69/44/652396944.db2.gz UBWDTXJDCSBLKI-GFCCVEGCSA-N 0 3 379.258 1.860 20 30 GDEDHN CN(CCn1cc(Br)cn1)C[C@@H](O)COc1ccccc1C#N ZINC000599423014 652496264 /nfs/dbraw/zinc/49/62/64/652496264.db2.gz ZIDHWVITYLUEJU-OAHLLOKOSA-N 0 3 379.258 1.889 20 30 GDEDHN N#Cc1c(Br)cccc1OCC(=O)N[C@H](CO)CN1CCCC1 ZINC000603053905 652674066 /nfs/dbraw/zinc/67/40/66/652674066.db2.gz UHVIFYRTLCRPBL-LBPRGKRZSA-N 0 3 382.258 1.272 20 30 GDEDHN N#Cc1cc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)ncc1Br ZINC000603319371 652698564 /nfs/dbraw/zinc/69/85/64/652698564.db2.gz PXMFOIIJFQPOLZ-AWEZNQCLSA-N 0 3 378.274 1.634 20 30 GDEDHN N#CC(C(=O)c1csc(S(=O)(=O)N2CCOCC2)c1)c1ccccn1 ZINC000613296733 652958135 /nfs/dbraw/zinc/95/81/35/652958135.db2.gz YJTZAPSLZYVMAU-ZDUSSCGKSA-N 0 3 377.447 1.654 20 30 GDEDHN C[C@@H](CSc1ccccc1)C(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000732909696 654492993 /nfs/dbraw/zinc/49/29/93/654492993.db2.gz FEGJRTJMYLPCNS-ZFWWWQNUSA-N 0 3 380.491 1.381 20 30 GDEDHN CS(=O)(=O)N[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000735077666 654549551 /nfs/dbraw/zinc/54/95/51/654549551.db2.gz DKLXYXQSZRXARW-RYUDHWBXSA-N 0 3 378.479 1.096 20 30 GDEDHN C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C[C@H](C)S1(=O)=O ZINC000810111988 655150949 /nfs/dbraw/zinc/15/09/49/655150949.db2.gz GQZSUSSZIPRPLW-FRRDWIJNSA-N 0 3 377.491 1.980 20 30 GDEDHN C#CCN(C)CCCNC(=O)N(CCO)Cc1ccc(Br)s1 ZINC000838623883 655220986 /nfs/dbraw/zinc/22/09/86/655220986.db2.gz UNRDZEJGJMCKTK-UHFFFAOYSA-N 0 3 388.331 1.970 20 30 GDEDHN C#CC[N@H+](C)CCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000815083281 655286290 /nfs/dbraw/zinc/28/62/90/655286290.db2.gz VJWQZLJXEIAMLM-UHFFFAOYSA-N 0 3 390.259 1.591 20 30 GDEDHN C#CC[N@@H+](C)CCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000815083281 655286292 /nfs/dbraw/zinc/28/62/92/655286292.db2.gz VJWQZLJXEIAMLM-UHFFFAOYSA-N 0 3 390.259 1.591 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(OC)ccc1Br ZINC000815859803 655306603 /nfs/dbraw/zinc/30/66/03/655306603.db2.gz NGEBJDZQLCPKRB-UHFFFAOYSA-N 0 3 382.258 1.468 20 30 GDEDHN CC[C@@H](Sc1ccccc1)C(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000842307361 655361661 /nfs/dbraw/zinc/36/16/61/655361661.db2.gz QXPCYWVPKJOTAO-HUUCEWRRSA-N 0 3 380.491 1.523 20 30 GDEDHN C=C(Br)CNC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000818979659 655382729 /nfs/dbraw/zinc/38/27/29/655382729.db2.gz TYFORJHZKRSBSE-INIZCTEOSA-N 0 3 384.318 1.676 20 30 GDEDHN Cc1cc(S(=O)(=O)NCCNC[C@H](O)c2ccc(C#N)cc2)c(C)s1 ZINC000819180932 655387759 /nfs/dbraw/zinc/38/77/59/655387759.db2.gz YVVYJCCDCTWGMK-INIZCTEOSA-N 0 3 379.507 1.838 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(F)c(Br)c1F ZINC000850459763 655555712 /nfs/dbraw/zinc/55/57/12/655555712.db2.gz FXZSLKAKZCQWOS-UHFFFAOYSA-N 0 3 388.212 1.737 20 30 GDEDHN C#CCN(C)CCCNC(=O)[C@@H](NC(C)=O)c1cccc(Br)c1 ZINC000868581489 656161850 /nfs/dbraw/zinc/16/18/50/656161850.db2.gz GXZCGLXQXXWFRS-INIZCTEOSA-N 0 3 380.286 1.698 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000876551615 656613107 /nfs/dbraw/zinc/61/31/07/656613107.db2.gz UOWYPCHQJKIFFR-CQSZACIVSA-N 0 3 392.308 1.643 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000876571926 656615055 /nfs/dbraw/zinc/61/50/55/656615055.db2.gz RSZUJKPSKBBQRW-MRXNPFEDSA-N 0 3 385.917 1.734 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000876710248 656626182 /nfs/dbraw/zinc/62/61/82/656626182.db2.gz FYANHZNPJPUURB-CQSZACIVSA-N 0 3 385.295 1.893 20 30 GDEDHN CN(CCO)CCNC(=O)Nc1ccc(C#N)cc1I ZINC000932547066 657196137 /nfs/dbraw/zinc/19/61/37/657196137.db2.gz BPZFHXMMFYHSEH-UHFFFAOYSA-N 0 3 388.209 1.208 20 30 GDEDHN N#Cc1sc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)nc1Cl ZINC000888411458 657901698 /nfs/dbraw/zinc/90/16/98/657901698.db2.gz ZZLBFGCBQVWTST-UHFFFAOYSA-N 0 3 382.877 1.440 20 30 GDEDHN N#Cc1c[nH]c2nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)ncc12 ZINC001164865769 721123650 /nfs/dbraw/zinc/12/36/50/721123650.db2.gz PHDKYLLFFITNIN-SJORKVTESA-N 0 3 375.436 1.704 20 30 GDEDHN N#Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)[nH]1 ZINC001571298589 946220840 /nfs/dbraw/zinc/22/08/40/946220840.db2.gz HGQUVUOREXIMTJ-RDJZCZTQSA-N 0 3 390.451 1.755 20 30 GDEDHN N#Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)[nH]1 ZINC001571298589 946220852 /nfs/dbraw/zinc/22/08/52/946220852.db2.gz HGQUVUOREXIMTJ-RDJZCZTQSA-N 0 3 390.451 1.755 20 30 GDEDHN C#Cc1ccc(C(=O)NCCC[N@@H+](CC)Cc2cccc(-c3nnn[n-]3)c2)cn1 ZINC001573287811 946850139 /nfs/dbraw/zinc/85/01/39/946850139.db2.gz LGMFUWXVVPRGNG-UHFFFAOYSA-N 0 3 389.463 1.885 20 30 GDEDHN C#Cc1ccc(C(=O)NCCC[N@H+](CC)Cc2cccc(-c3nnn[n-]3)c2)cn1 ZINC001573287811 946850147 /nfs/dbraw/zinc/85/01/47/946850147.db2.gz LGMFUWXVVPRGNG-UHFFFAOYSA-N 0 3 389.463 1.885 20 30 GDEDHN C#Cc1ccc(C(=O)NCCC[N@@H+](CC)Cc2cccc(-c3nn[n-]n3)c2)cn1 ZINC001573287811 946850159 /nfs/dbraw/zinc/85/01/59/946850159.db2.gz LGMFUWXVVPRGNG-UHFFFAOYSA-N 0 3 389.463 1.885 20 30 GDEDHN C#Cc1ccc(C(=O)NCCC[N@H+](CC)Cc2cccc(-c3nn[n-]n3)c2)cn1 ZINC001573287811 946850168 /nfs/dbraw/zinc/85/01/68/946850168.db2.gz LGMFUWXVVPRGNG-UHFFFAOYSA-N 0 3 389.463 1.885 20 30 GDEDHN C=C(Br)CNC[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573293364 946955765 /nfs/dbraw/zinc/95/57/65/946955765.db2.gz UCAVUOZFTDEMIU-NSHDSACASA-N 0 3 380.250 1.298 20 30 GDEDHN C=CCCO[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573335558 947483671 /nfs/dbraw/zinc/48/36/71/947483671.db2.gz AKXADNYMVHFIIN-IIDMSEBBSA-N 0 3 384.484 1.784 20 30 GDEDHN C=CCCO[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573335558 947483680 /nfs/dbraw/zinc/48/36/80/947483680.db2.gz AKXADNYMVHFIIN-IIDMSEBBSA-N 0 3 384.484 1.784 20 30 GDEDHN C=CCOCC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573343979 947566191 /nfs/dbraw/zinc/56/61/91/947566191.db2.gz VLRMATZHNJYDRK-MAUKXSAKSA-N 0 3 384.484 1.786 20 30 GDEDHN C=CCOCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573343979 947566204 /nfs/dbraw/zinc/56/62/04/947566204.db2.gz VLRMATZHNJYDRK-MAUKXSAKSA-N 0 3 384.484 1.786 20 30 GDEDHN C=CCOCC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573343979 947566212 /nfs/dbraw/zinc/56/62/12/947566212.db2.gz VLRMATZHNJYDRK-MAUKXSAKSA-N 0 3 384.484 1.786 20 30 GDEDHN C=CCOCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573343979 947566221 /nfs/dbraw/zinc/56/62/21/947566221.db2.gz VLRMATZHNJYDRK-MAUKXSAKSA-N 0 3 384.484 1.786 20 30 GDEDHN C=CCOCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573344031 947567436 /nfs/dbraw/zinc/56/74/36/947567436.db2.gz WXFOUYJMCVSVKC-QZTJIDSGSA-N 0 3 382.468 1.635 20 30 GDEDHN C=CCOCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573344031 947567446 /nfs/dbraw/zinc/56/74/46/947567446.db2.gz WXFOUYJMCVSVKC-QZTJIDSGSA-N 0 3 382.468 1.635 20 30 GDEDHN C=CCOCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573344031 947567451 /nfs/dbraw/zinc/56/74/51/947567451.db2.gz WXFOUYJMCVSVKC-QZTJIDSGSA-N 0 3 382.468 1.635 20 30 GDEDHN C=CCOCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573344031 947567460 /nfs/dbraw/zinc/56/74/60/947567460.db2.gz WXFOUYJMCVSVKC-QZTJIDSGSA-N 0 3 382.468 1.635 20 30 GDEDHN CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1 ZINC001573359118 947678569 /nfs/dbraw/zinc/67/85/69/947678569.db2.gz VPWDNVPZJUBWRZ-QGZVFWFLSA-N 0 3 381.484 1.973 20 30 GDEDHN C[C@H]1[C@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575908548 950371390 /nfs/dbraw/zinc/37/13/90/950371390.db2.gz UYIPQVSLCYOHGM-BLLLJJGKSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@H]1[C@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575908548 950371413 /nfs/dbraw/zinc/37/14/13/950371413.db2.gz UYIPQVSLCYOHGM-BLLLJJGKSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@H](CNC(=O)c1c[nH]c(C#N)c1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575081787 951726059 /nfs/dbraw/zinc/72/60/59/951726059.db2.gz VNGBUIIYCXUNPP-NSHDSACASA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@H](CNC(=O)c1c[nH]c(C#N)c1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575081787 951726065 /nfs/dbraw/zinc/72/60/65/951726065.db2.gz VNGBUIIYCXUNPP-NSHDSACASA-N 0 3 382.403 1.361 20 30 GDEDHN N#Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cc1 ZINC001571119866 952495878 /nfs/dbraw/zinc/49/58/78/952495878.db2.gz GWVNKXHCRSKILK-HNNXBMFYSA-N 0 3 376.424 1.461 20 30 GDEDHN CN(C)CCN1C[C@H](C(=O)N[C@@H](C#N)c2cccc(Br)c2)CC1=O ZINC000174432110 530647926 /nfs/dbraw/zinc/64/79/26/530647926.db2.gz CTNXCHUEDGZTIG-HIFRSBDPSA-N 0 3 393.285 1.540 20 30 GDEDHN C#CCN1CCC(C(=O)NCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000057176757 530724077 /nfs/dbraw/zinc/72/40/77/530724077.db2.gz HMRXDCBRUONFII-UHFFFAOYSA-N 0 3 378.270 1.849 20 30 GDEDHN N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261919297 531103014 /nfs/dbraw/zinc/10/30/14/531103014.db2.gz YMOCPWWFZRQLIP-CYBMUJFWSA-N 0 3 396.822 1.326 20 30 GDEDHN C#CCNC(=NC[C@@H]1CCS(=O)(=O)C1)NCc1ccc(Br)cc1 ZINC000262428758 531120299 /nfs/dbraw/zinc/12/02/99/531120299.db2.gz SDKMNQVCAPVAEK-AWEZNQCLSA-N 0 3 398.326 1.552 20 30 GDEDHN N#Cc1c(Br)cccc1OCC(=O)N[C@@H](CO)CN1CCCCC1 ZINC000413799351 531418275 /nfs/dbraw/zinc/41/82/75/531418275.db2.gz NYERKFCJMCYXOL-CYBMUJFWSA-N 0 3 396.285 1.663 20 30 GDEDHN CN1CCC(CCO)(NC(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000450676484 531504825 /nfs/dbraw/zinc/50/48/25/531504825.db2.gz DQWDBLBYONCHCX-UHFFFAOYSA-N 0 3 396.285 1.663 20 30 GDEDHN C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CC2CC1(CN)C2 ZINC000659100884 531542123 /nfs/dbraw/zinc/54/21/23/531542123.db2.gz DXASIJWWAGFUQY-UHFFFAOYSA-N 0 3 394.269 1.902 20 30 GDEDHN Cc1c(NC(=O)C(=O)N2CC[C@H]3CN(C)C[C@@H]32)ccc(Br)c1C#N ZINC000591874305 531743013 /nfs/dbraw/zinc/74/30/13/531743013.db2.gz FNLQSFHUWVTAQM-NHYWBVRUSA-N 0 3 391.269 1.730 20 30 GDEDHN C=CCN1CCC(NC(=O)C(=O)NCc2ccccc2Br)CC1 ZINC000283977169 531916938 /nfs/dbraw/zinc/91/69/38/531916938.db2.gz ZPMGTEHVTPVMDT-UHFFFAOYSA-N 0 3 380.286 1.832 20 30 GDEDHN CN(C)CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000331304358 532143692 /nfs/dbraw/zinc/14/36/92/532143692.db2.gz WHBIHGURBVMVHN-UHFFFAOYSA-N 0 3 384.933 1.858 20 30 GDEDHN Cn1ccnc(N=NC2CC[NH+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1=O ZINC000822693608 606206223 /nfs/dbraw/zinc/20/62/23/606206223.db2.gz GZWFWPNZTIDVTR-UHFFFAOYSA-N 0 3 379.428 1.024 20 30 GDEDHN C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000823903682 609228895 /nfs/dbraw/zinc/22/88/95/609228895.db2.gz HGLMGBSAZUHJOD-ROUUACIJSA-N 0 3 384.484 1.715 20 30 GDEDHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000554579142 650678148 /nfs/dbraw/zinc/67/81/48/650678148.db2.gz RXSOSFMGUWMYFM-LLVKDONJSA-N 0 3 379.258 1.717 20 30 GDEDHN C=CCN1CCC(NC(=O)C(=O)NCCc2ccc(Br)cc2)CC1 ZINC000559651514 650734871 /nfs/dbraw/zinc/73/48/71/650734871.db2.gz MANALSSSOSYGAI-UHFFFAOYSA-N 0 3 394.313 1.874 20 30 GDEDHN CN(CC(=O)C(C#N)C(=O)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000916866647 660202816 /nfs/dbraw/zinc/20/28/16/660202816.db2.gz ANCFYQJHECFFBN-AWEZNQCLSA-N 0 3 383.857 1.292 20 30 GDEDHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000443249608 647194551 /nfs/dbraw/zinc/19/45/51/647194551.db2.gz OQLMNYQGTUWXCP-AWEZNQCLSA-N 0 3 384.933 1.764 20 30 GDEDHN CCN1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3ccc(C#N)s3)C2)[C@H]1C(C)C ZINC000920301863 660269391 /nfs/dbraw/zinc/26/93/91/660269391.db2.gz GTMCVCPLOYOEFG-SRABZTEZSA-N 0 3 383.539 1.768 20 30 GDEDHN CC(C(=O)NC(=O)NCC(F)(F)F)S(=O)(=O)c1cccc(F)c1C#N ZINC000576003433 651617145 /nfs/dbraw/zinc/61/71/45/651617145.db2.gz XOSSFPNCFQUXDG-SSDOTTSWSA-N 0 3 381.307 1.248 20 30 GDEDHN N#CCCCC[C@@H](N)C(=O)NCCNC(=O)c1ccc(Br)cc1 ZINC000594429732 652283754 /nfs/dbraw/zinc/28/37/54/652283754.db2.gz VZRVJVBZMSGBOJ-CQSZACIVSA-N 0 3 381.274 1.706 20 30 GDEDHN N#Cc1cc(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)ncc1Br ZINC000603319373 652698401 /nfs/dbraw/zinc/69/84/01/652698401.db2.gz PXMFOIIJFQPOLZ-CQSZACIVSA-N 0 3 378.274 1.634 20 30 GDEDHN C[C@H](Oc1ccc(Cl)cc1)C(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000759495110 655086292 /nfs/dbraw/zinc/08/62/92/655086292.db2.gz KEZYMTCKWUEHHX-SMDDNHRTSA-N 0 3 384.841 1.073 20 30 GDEDHN C[C@@H]1CCS(=O)(=O)CCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000763852138 655203190 /nfs/dbraw/zinc/20/31/90/655203190.db2.gz KCPGARHRHFVLNK-CHWSQXEVSA-N 0 3 377.491 1.982 20 30 GDEDHN Cn1cnnc1COCC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000815909714 655308285 /nfs/dbraw/zinc/30/82/85/655308285.db2.gz GNZKTMSOOWUQDJ-LBPRGKRZSA-N 0 3 382.207 1.986 20 30 GDEDHN N#Cc1c(Br)cccc1OCC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000825516757 655490327 /nfs/dbraw/zinc/49/03/27/655490327.db2.gz AKFKIEOQSXPDTP-STQMWFEESA-N 0 3 394.269 1.679 20 30 GDEDHN C#CCN(C)CCCNC(=O)N1CC(O)(c2cccc(Br)c2)C1 ZINC000856908131 655721974 /nfs/dbraw/zinc/72/19/74/655721974.db2.gz LBJOLXDXZVHIOP-UHFFFAOYSA-N 0 3 380.286 1.617 20 30 GDEDHN C=C(C)CN1CCC(NC(=O)c2c(Br)nc3n2CCOC3)CC1 ZINC000857118077 655728164 /nfs/dbraw/zinc/72/81/64/655728164.db2.gz BSALARVUWRHCLH-UHFFFAOYSA-N 0 3 383.290 1.946 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000876564909 656614013 /nfs/dbraw/zinc/61/40/13/656614013.db2.gz XGQBDSFTTOYSCQ-CYBMUJFWSA-N 0 3 393.843 1.268 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000876568154 656614828 /nfs/dbraw/zinc/61/48/28/656614828.db2.gz DUKHOWILMDODPX-HNNXBMFYSA-N 0 3 389.880 1.519 20 30 GDEDHN CN(C)CCN1C[C@@H](C(=O)Nc2ccc(Br)c(C#N)c2)CC1=O ZINC000887994945 657854111 /nfs/dbraw/zinc/85/41/11/657854111.db2.gz PTEVBEYNZKOWFZ-LBPRGKRZSA-N 0 3 379.258 1.669 20 30 GDEDHN C=CCCC[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000912055804 660025834 /nfs/dbraw/zinc/02/58/34/660025834.db2.gz FDNNBQJVNOKYNL-HNNXBMFYSA-N 0 3 385.917 1.857 20 30 GDEDHN C#CCOCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)[C@@H](C)C1 ZINC001573286689 946816795 /nfs/dbraw/zinc/81/67/95/946816795.db2.gz HOBISMSQPAIPCU-MAUKXSAKSA-N 0 3 382.468 1.233 20 30 GDEDHN C#CCOCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)[C@@H](C)C1 ZINC001573286689 946816807 /nfs/dbraw/zinc/81/68/07/946816807.db2.gz HOBISMSQPAIPCU-MAUKXSAKSA-N 0 3 382.468 1.233 20 30 GDEDHN C#Cc1ccc(C(=O)N2CCC[C@H]2C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)nc1 ZINC001573288414 946863294 /nfs/dbraw/zinc/86/32/94/946863294.db2.gz PWJNTTBSGTUTLB-SFHVURJKSA-N 0 3 387.447 1.637 20 30 GDEDHN C#Cc1ccc(C(=O)N2CCC[C@H]2C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)nc1 ZINC001573288414 946863306 /nfs/dbraw/zinc/86/33/06/946863306.db2.gz PWJNTTBSGTUTLB-SFHVURJKSA-N 0 3 387.447 1.637 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3-c3nnn[n-]3)C2)CC1 ZINC001573567235 947041297 /nfs/dbraw/zinc/04/12/97/947041297.db2.gz KOZLXQHKECFKIO-OAHLLOKOSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3-c3nnn[n-]3)C2)CC1 ZINC001573567235 947041306 /nfs/dbraw/zinc/04/13/06/947041306.db2.gz KOZLXQHKECFKIO-OAHLLOKOSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3-c3nn[n-]n3)C2)CC1 ZINC001573567235 947041318 /nfs/dbraw/zinc/04/13/18/947041318.db2.gz KOZLXQHKECFKIO-OAHLLOKOSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3-c3nn[n-]n3)C2)CC1 ZINC001573567235 947041328 /nfs/dbraw/zinc/04/13/28/947041328.db2.gz KOZLXQHKECFKIO-OAHLLOKOSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@H](C#N)C(=O)NC1CC2(C1)CC([NH2+]Cc1ccc(F)c(-c3nnn[n-]3)c1)C2 ZINC001573575410 947139586 /nfs/dbraw/zinc/13/95/86/947139586.db2.gz YTIABKYNSIMYML-KDBGQGEDSA-N 0 3 383.431 1.682 20 30 GDEDHN C[C@H](C#N)C(=O)NC1CC2(C1)CC([NH2+]Cc1ccc(F)c(-c3nn[n-]n3)c1)C2 ZINC001573575410 947139593 /nfs/dbraw/zinc/13/95/93/947139593.db2.gz YTIABKYNSIMYML-KDBGQGEDSA-N 0 3 383.431 1.682 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573309217 947194310 /nfs/dbraw/zinc/19/43/10/947194310.db2.gz FDFVKMIFRYVTKH-KPZWWZAWSA-N 0 3 376.436 1.269 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573309217 947194314 /nfs/dbraw/zinc/19/43/14/947194314.db2.gz FDFVKMIFRYVTKH-KPZWWZAWSA-N 0 3 376.436 1.269 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CCC[C@H]([N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573310283 947220775 /nfs/dbraw/zinc/22/07/75/947220775.db2.gz WBSJWHRUPVOFBI-PXNSSMCTSA-N 0 3 384.484 1.617 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573310283 947220784 /nfs/dbraw/zinc/22/07/84/947220784.db2.gz WBSJWHRUPVOFBI-PXNSSMCTSA-N 0 3 384.484 1.617 20 30 GDEDHN C=CCCC[NH+]1CCC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)(COC)CC1 ZINC001573335532 947479569 /nfs/dbraw/zinc/47/95/69/947479569.db2.gz QYGVEFFNZPSVJX-UHFFFAOYSA-N 0 3 387.488 1.619 20 30 GDEDHN C=CCCC[NH+]1CCC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)(COC)CC1 ZINC001573335532 947479577 /nfs/dbraw/zinc/47/95/77/947479577.db2.gz QYGVEFFNZPSVJX-UHFFFAOYSA-N 0 3 387.488 1.619 20 30 GDEDHN C=CCCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573335623 947484479 /nfs/dbraw/zinc/48/44/79/947484479.db2.gz BVICSGGJGTYRIR-DZGCQCFKSA-N 0 3 388.447 1.678 20 30 GDEDHN C=CCCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573335623 947484489 /nfs/dbraw/zinc/48/44/89/947484489.db2.gz BVICSGGJGTYRIR-DZGCQCFKSA-N 0 3 388.447 1.678 20 30 GDEDHN C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nnn[n-]1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574527572 950896777 /nfs/dbraw/zinc/89/67/77/950896777.db2.gz DNGYDEVJNNQEHM-CHWSQXEVSA-N 0 3 378.440 1.753 20 30 GDEDHN C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[n-]n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574527572 950896796 /nfs/dbraw/zinc/89/67/96/950896796.db2.gz DNGYDEVJNNQEHM-CHWSQXEVSA-N 0 3 378.440 1.753 20 30 GDEDHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)c1cc(C#N)c[nH]1 ZINC001575107063 951911396 /nfs/dbraw/zinc/91/13/96/951911396.db2.gz YBVUJWOPTJYJPL-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)c1cc(C#N)c[nH]1 ZINC001575107063 951911402 /nfs/dbraw/zinc/91/14/02/951911402.db2.gz YBVUJWOPTJYJPL-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN N#Cc1cc(NC(=O)C(=O)N2CCN3CCC[C@H]3C2)ccc1Br ZINC000293971253 531454858 /nfs/dbraw/zinc/45/48/58/531454858.db2.gz AWGLULDNAGKVAI-ZDUSSCGKSA-N 0 3 377.242 1.566 20 30 GDEDHN CN1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CC2)C1 ZINC000362944938 531466482 /nfs/dbraw/zinc/46/64/82/531466482.db2.gz KEOSOQULVQXMBT-OAHLLOKOSA-N 0 3 382.917 1.612 20 30 GDEDHN CN(C)CCN1CCN(C(=O)COc2cccc(Br)c2C#N)CC1 ZINC000449178066 531467620 /nfs/dbraw/zinc/46/76/20/531467620.db2.gz RTRXVAHYYYCZQW-UHFFFAOYSA-N 0 3 395.301 1.405 20 30 GDEDHN COCCCN(C)CCNC(=O)COc1cccc(Br)c1C#N ZINC000449945323 531481427 /nfs/dbraw/zinc/48/14/27/531481427.db2.gz ONAKQNZCEDIDTB-UHFFFAOYSA-N 0 3 384.274 1.784 20 30 GDEDHN Cc1ncsc1CN(C)C[C@H]1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C1 ZINC000282223303 531722623 /nfs/dbraw/zinc/72/26/23/531722623.db2.gz AYBSEJXCLQACCP-DZGCQCFKSA-N 0 3 385.559 1.684 20 30 GDEDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000297565512 531800853 /nfs/dbraw/zinc/80/08/53/531800853.db2.gz RUWOXUHXUCILRU-CQSZACIVSA-N 0 3 378.274 1.459 20 30 GDEDHN CC(C#N)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000510367580 531787090 /nfs/dbraw/zinc/78/70/90/531787090.db2.gz RDGQBYVPCNUQSA-SNVBAGLBSA-N 0 3 376.265 1.986 20 30 GDEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000562987723 531794964 /nfs/dbraw/zinc/79/49/64/531794964.db2.gz JXBKWCUOPHKGER-AWEZNQCLSA-N 0 3 375.416 1.806 20 30 GDEDHN N#CCCC[C@H](N)C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000424111192 532084699 /nfs/dbraw/zinc/08/46/99/532084699.db2.gz GAOPCICAEBXVMY-AWEZNQCLSA-N 0 3 381.274 1.706 20 30 GDEDHN C=CCN1CCC(NC(=O)C(=O)NCc2sccc2Br)CC1 ZINC000285960654 532122547 /nfs/dbraw/zinc/12/25/47/532122547.db2.gz QUVQZDLBKJNXPK-UHFFFAOYSA-N 0 3 386.315 1.893 20 30 GDEDHN C[C@@H]1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)CCN1C ZINC000330694903 532129962 /nfs/dbraw/zinc/12/99/62/532129962.db2.gz ZETQDCNMAZDTNH-MWLCHTKSSA-N 0 3 390.303 1.884 20 30 GDEDHN C=CCN1CCC(NC(=O)C(=O)NCc2nc(C(F)(F)F)cs2)CC1 ZINC000286698574 532170255 /nfs/dbraw/zinc/17/02/55/532170255.db2.gz PUSDPVJSDVDXFO-UHFFFAOYSA-N 0 3 376.404 1.545 20 30 GDEDHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000332550913 532194091 /nfs/dbraw/zinc/19/40/91/532194091.db2.gz JQSWBDVFXNBJDJ-YPMHNXCESA-N 0 3 391.269 1.954 20 30 GDEDHN N#Cc1ccccc1CSCC[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000737727281 598519577 /nfs/dbraw/zinc/51/95/77/598519577.db2.gz ILVGOFOAXZIJJR-ZDUSSCGKSA-N 0 3 395.496 1.500 20 30 GDEDHN N#Cc1ccccc1CSCC[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000737727281 598519578 /nfs/dbraw/zinc/51/95/78/598519578.db2.gz ILVGOFOAXZIJJR-ZDUSSCGKSA-N 0 3 395.496 1.500 20 30 GDEDHN N#CC(C(=O)CCCCOc1cccc(-c2nn[nH]n2)c1)C(=O)N1CCCC1 ZINC000737671992 598734762 /nfs/dbraw/zinc/73/47/62/598734762.db2.gz KKMAHMGDFAKKFK-INIZCTEOSA-N 0 3 382.424 1.747 20 30 GDEDHN C#CCC[NH+]1CCC(NC(=O)[C@H](Oc2ccccc2-c2nnn[n-]2)C(C)C)CC1 ZINC000819693472 599392403 /nfs/dbraw/zinc/39/24/03/599392403.db2.gz SFAWXXSEMOIHMZ-LJQANCHMSA-N 0 3 396.495 1.874 20 30 GDEDHN C#CCC[NH+]1CCC(NC(=O)[C@H](Oc2ccccc2-c2nn[n-]n2)C(C)C)CC1 ZINC000819693472 599392406 /nfs/dbraw/zinc/39/24/06/599392406.db2.gz SFAWXXSEMOIHMZ-LJQANCHMSA-N 0 3 396.495 1.874 20 30 GDEDHN C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000823903681 609229212 /nfs/dbraw/zinc/22/92/12/609229212.db2.gz HGLMGBSAZUHJOD-QZTJIDSGSA-N 0 3 384.484 1.715 20 30 GDEDHN N#Cc1ccc(S(=O)(=O)CCNC2CCN(CC(F)(F)F)CC2)cc1 ZINC000591729024 652164085 /nfs/dbraw/zinc/16/40/85/652164085.db2.gz SKNWTYLYVYPBBE-UHFFFAOYSA-N 0 3 375.416 1.948 20 30 GDEDHN CN(CCCN1CCN(C)CC1)C(=O)Cc1ccc(Br)cc1C#N ZINC000593456978 652213211 /nfs/dbraw/zinc/21/32/11/652213211.db2.gz DXWSMLFMCIATEJ-UHFFFAOYSA-N 0 3 393.329 1.959 20 30 GDEDHN N#CCCCC[C@@H](N)C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000594435243 652284204 /nfs/dbraw/zinc/28/42/04/652284204.db2.gz CHCZGZVSFZZVLQ-CQSZACIVSA-N 0 3 381.274 1.706 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1N[C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000834889030 655082057 /nfs/dbraw/zinc/08/20/57/655082057.db2.gz RWQRZWUQBNNOFJ-WQVCFCJDSA-N 0 3 388.511 1.406 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1N[C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000834889028 655082124 /nfs/dbraw/zinc/08/21/24/655082124.db2.gz RWQRZWUQBNNOFJ-MAZHCROVSA-N 0 3 388.511 1.406 20 30 GDEDHN C=CCN1CC[C@H](N(C)Cn2nc(Br)c(=O)c3ccccc32)C1=O ZINC000799142014 655285682 /nfs/dbraw/zinc/28/56/82/655285682.db2.gz ILNZKKHTBUEPSR-AWEZNQCLSA-N 0 3 391.269 1.835 20 30 GDEDHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000842206888 655358522 /nfs/dbraw/zinc/35/85/22/655358522.db2.gz ZWJXVBUKDSJMIF-LLVKDONJSA-N 0 3 379.258 1.860 20 30 GDEDHN N#Cc1ccc(OCC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1Br ZINC000825517159 655490368 /nfs/dbraw/zinc/49/03/68/655490368.db2.gz NYIKWBYDNMPUBY-UKRRQHHQSA-N 0 3 394.269 1.679 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000876551652 656612827 /nfs/dbraw/zinc/61/28/27/656612827.db2.gz VSXITWPLIHZCMI-AWEZNQCLSA-N 0 3 375.853 1.129 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000876673410 656623053 /nfs/dbraw/zinc/62/30/53/656623053.db2.gz MXPOWBQXMBHDEW-INIZCTEOSA-N 0 3 385.917 1.567 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000876894916 656637436 /nfs/dbraw/zinc/63/74/36/656637436.db2.gz YUKQEZLFTBLYCB-CHWSQXEVSA-N 0 3 386.677 1.919 20 30 GDEDHN C#CCN(C(=O)c1nscc1I)C1CCN(C)CC1 ZINC000886574893 657676889 /nfs/dbraw/zinc/67/68/89/657676889.db2.gz XQHSAKVDEBYJNW-UHFFFAOYSA-N 0 3 389.262 1.917 20 30 GDEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@H]2CCCN2CC(F)(F)F)cc1 ZINC000905567141 659466294 /nfs/dbraw/zinc/46/62/94/659466294.db2.gz YTXBGHIZIYRDME-CQSZACIVSA-N 0 3 375.416 1.948 20 30 GDEDHN C#CCO[C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573286400 946807250 /nfs/dbraw/zinc/80/72/50/946807250.db2.gz ARZUQMJGGKKZTK-WBVHZDCISA-N 0 3 382.468 1.376 20 30 GDEDHN C#CCO[C@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573286400 946807256 /nfs/dbraw/zinc/80/72/56/946807256.db2.gz ARZUQMJGGKKZTK-WBVHZDCISA-N 0 3 382.468 1.376 20 30 GDEDHN C#CCO[C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573286400 946807272 /nfs/dbraw/zinc/80/72/72/946807272.db2.gz ARZUQMJGGKKZTK-WBVHZDCISA-N 0 3 382.468 1.376 20 30 GDEDHN C#CCO[C@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573286400 946807282 /nfs/dbraw/zinc/80/72/82/946807282.db2.gz ARZUQMJGGKKZTK-WBVHZDCISA-N 0 3 382.468 1.376 20 30 GDEDHN C#CCOCCC(=O)N1C[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1C ZINC001573287601 946841613 /nfs/dbraw/zinc/84/16/13/946841613.db2.gz NWWUHFPHCOFEPO-XJKSGUPXSA-N 0 3 386.431 1.125 20 30 GDEDHN C#Cc1ccc(C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)cn1 ZINC001573288574 946870486 /nfs/dbraw/zinc/87/04/86/946870486.db2.gz RTXDNSSISXQTTL-LJQANCHMSA-N 0 3 389.463 1.787 20 30 GDEDHN C#Cc1ccc(C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)cn1 ZINC001573288574 946870504 /nfs/dbraw/zinc/87/05/04/946870504.db2.gz RTXDNSSISXQTTL-LJQANCHMSA-N 0 3 389.463 1.787 20 30 GDEDHN C#Cc1cncc(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001573291210 946914949 /nfs/dbraw/zinc/91/49/49/946914949.db2.gz AJDRZCMUPKJIEJ-CABCVRRESA-N 0 3 389.463 1.930 20 30 GDEDHN C#Cc1cncc(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573291210 946914961 /nfs/dbraw/zinc/91/49/61/946914961.db2.gz AJDRZCMUPKJIEJ-CABCVRRESA-N 0 3 389.463 1.930 20 30 GDEDHN C#Cc1cncc(C(=O)NC/C=C/C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001573292661 946938646 /nfs/dbraw/zinc/93/86/46/946938646.db2.gz ZHLBHDDKDAODGS-ONEGZZNKSA-N 0 3 391.410 1.458 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001573565997 947019114 /nfs/dbraw/zinc/01/91/14/947019114.db2.gz YTRWOGAACSXMHY-MGPUTAFESA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001573565997 947019128 /nfs/dbraw/zinc/01/91/28/947019128.db2.gz YTRWOGAACSXMHY-MGPUTAFESA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001573566350 947023526 /nfs/dbraw/zinc/02/35/26/947023526.db2.gz BLSKKVXWDSUFLZ-QRWLVFNGSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001573566350 947023540 /nfs/dbraw/zinc/02/35/40/947023540.db2.gz BLSKKVXWDSUFLZ-QRWLVFNGSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001573566350 947023554 /nfs/dbraw/zinc/02/35/54/947023554.db2.gz BLSKKVXWDSUFLZ-QRWLVFNGSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001573566350 947023569 /nfs/dbraw/zinc/02/35/69/947023569.db2.gz BLSKKVXWDSUFLZ-QRWLVFNGSA-N 0 3 379.468 1.841 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573309995 947212734 /nfs/dbraw/zinc/21/27/34/947212734.db2.gz QUSPIRXGOPGPIG-OXJNMPFZSA-N 0 3 384.484 1.617 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573309995 947212738 /nfs/dbraw/zinc/21/27/38/947212738.db2.gz QUSPIRXGOPGPIG-OXJNMPFZSA-N 0 3 384.484 1.617 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573309995 947212745 /nfs/dbraw/zinc/21/27/45/947212745.db2.gz QUSPIRXGOPGPIG-OXJNMPFZSA-N 0 3 384.484 1.617 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573309995 947212753 /nfs/dbraw/zinc/21/27/53/947212753.db2.gz QUSPIRXGOPGPIG-OXJNMPFZSA-N 0 3 384.484 1.617 20 30 GDEDHN C=CCCOCC(=O)N1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C[C@@H]1C ZINC001573335740 947487659 /nfs/dbraw/zinc/48/76/59/947487659.db2.gz CTSBPCQKMBCBCK-BBRMVZONSA-N 0 3 388.447 1.678 20 30 GDEDHN C=CCCOCC(=O)N1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C[C@@H]1C ZINC001573335740 947487668 /nfs/dbraw/zinc/48/76/68/947487668.db2.gz CTSBPCQKMBCBCK-BBRMVZONSA-N 0 3 388.447 1.678 20 30 GDEDHN C=CCOCC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573344163 947569057 /nfs/dbraw/zinc/56/90/57/947569057.db2.gz XRNSTVMOPDLQGP-CRAIPNDOSA-N 0 3 384.484 1.786 20 30 GDEDHN C=CCOCC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573344163 947569064 /nfs/dbraw/zinc/56/90/64/947569064.db2.gz XRNSTVMOPDLQGP-CRAIPNDOSA-N 0 3 384.484 1.786 20 30 GDEDHN C[C@@H](CNC(=O)CSCC#N)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574937327 949224871 /nfs/dbraw/zinc/22/48/71/949224871.db2.gz OHZUSXBAVKPCGF-NSHDSACASA-N 0 3 377.449 1.199 20 30 GDEDHN C[C@@H](CNC(=O)CSCC#N)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574937327 949224881 /nfs/dbraw/zinc/22/48/81/949224881.db2.gz OHZUSXBAVKPCGF-NSHDSACASA-N 0 3 377.449 1.199 20 30 GDEDHN C=CCN1CCC(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CC1 ZINC000171716547 530601735 /nfs/dbraw/zinc/60/17/35/530601735.db2.gz IMBMIOXHRUPARV-OAHLLOKOSA-N 0 3 383.539 1.668 20 30 GDEDHN CCN(CC)CCN(Cc1cccs1)S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000409556197 531257371 /nfs/dbraw/zinc/25/73/71/531257371.db2.gz NLEKYAKAPPSYFM-OAHLLOKOSA-N 0 3 386.543 1.361 20 30 GDEDHN N#Cc1c(Br)cccc1OCC(=O)N[C@H](CO)CN1CCCCC1 ZINC000413799353 531418435 /nfs/dbraw/zinc/41/84/35/531418435.db2.gz NYERKFCJMCYXOL-ZDUSSCGKSA-N 0 3 396.285 1.663 20 30 GDEDHN C#CCN(C)CCCNC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000294103103 531462641 /nfs/dbraw/zinc/46/26/41/531462641.db2.gz YKQXRGWLRGCBIL-UHFFFAOYSA-N 0 3 394.269 1.246 20 30 GDEDHN CCN1CCN(CCNC(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000449882440 531480911 /nfs/dbraw/zinc/48/09/11/531480911.db2.gz WGGNWGTXIHWBEV-UHFFFAOYSA-N 0 3 395.301 1.453 20 30 GDEDHN N#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)c1Br ZINC000591413419 531721636 /nfs/dbraw/zinc/72/16/36/531721636.db2.gz ALDMWSXWCLPXKR-CYBMUJFWSA-N 0 3 391.269 1.860 20 30 GDEDHN C[NH+](C)CCOc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)ccn1 ZINC000825870656 609383606 /nfs/dbraw/zinc/38/36/06/609383606.db2.gz XCTHASSRBBDTDV-UHFFFAOYSA-N 0 3 378.396 1.326 20 30 GDEDHN C[NH+](C)CCOc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)ccn1 ZINC000825870656 609383608 /nfs/dbraw/zinc/38/36/08/609383608.db2.gz XCTHASSRBBDTDV-UHFFFAOYSA-N 0 3 378.396 1.326 20 30 GDEDHN N#CC(C(=O)Cn1cnc2ccc(Br)cc2c1=O)C(=O)NC1CC1 ZINC000129505647 644734695 /nfs/dbraw/zinc/73/46/95/644734695.db2.gz MHIWSVKLWOTZCM-LBPRGKRZSA-N 0 3 389.209 1.146 20 30 GDEDHN C#CCN(C)CCCNC(=O)c1cccnc1-n1cc(Br)cn1 ZINC000295396987 645210227 /nfs/dbraw/zinc/21/02/27/645210227.db2.gz GOLRIQPBTAMGDX-UHFFFAOYSA-N 0 3 376.258 1.715 20 30 GDEDHN C[C@@H]1[C@H](C)S(=O)(=O)CCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000736321717 654591643 /nfs/dbraw/zinc/59/16/43/654591643.db2.gz ASVYBVPGVWDPMJ-FRRDWIJNSA-N 0 3 377.491 1.980 20 30 GDEDHN CS(=O)(=O)C[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000795099278 655160851 /nfs/dbraw/zinc/16/08/51/655160851.db2.gz MIOMMDFQUXXCDP-CHWSQXEVSA-N 0 3 377.491 1.839 20 30 GDEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1c(Br)nnn1C ZINC000811878283 655206069 /nfs/dbraw/zinc/20/60/69/655206069.db2.gz HJALJUVBEKCHQB-UHFFFAOYSA-N 0 3 391.273 1.653 20 30 GDEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000815082589 655286307 /nfs/dbraw/zinc/28/63/07/655286307.db2.gz AJULYJQPJIAVOB-UHFFFAOYSA-N 0 3 375.288 1.691 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000815860300 655306552 /nfs/dbraw/zinc/30/65/52/655306552.db2.gz FYYRMLHNZMPBLS-UHFFFAOYSA-N 0 3 397.229 1.367 20 30 GDEDHN C#CCN(C)CCCNC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000818602716 655377241 /nfs/dbraw/zinc/37/72/41/655377241.db2.gz ADTFBVVUSUZQBN-AWEZNQCLSA-N 0 3 392.297 1.873 20 30 GDEDHN C#CCN(C)CCCNC(=O)c1cn(-c2ccccc2Br)nn1 ZINC000818606330 655377408 /nfs/dbraw/zinc/37/74/08/655377408.db2.gz NCIAGMZZZXSQOS-UHFFFAOYSA-N 0 3 376.258 1.715 20 30 GDEDHN C#CCN(C(=O)NCc1ccc(S(=O)(=O)CC)s1)C1CCN(C)CC1 ZINC000922262270 656464832 /nfs/dbraw/zinc/46/48/32/656464832.db2.gz GTNAVWJSUBPRKC-UHFFFAOYSA-N 0 3 383.539 1.781 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000876746952 656627582 /nfs/dbraw/zinc/62/75/82/656627582.db2.gz YIXZBRTYSIEKGJ-HNNXBMFYSA-N 0 3 385.295 1.575 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(Cc2noc(-c3cccs3)n2)CC1 ZINC000876879344 656636553 /nfs/dbraw/zinc/63/65/53/656636553.db2.gz KCTDPLZKFYPPKG-LBPRGKRZSA-N 0 3 381.889 1.912 20 30 GDEDHN NC(=O)NC(=O)CCN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932941755 657232196 /nfs/dbraw/zinc/23/21/96/657232196.db2.gz ANDXRGVYGLBAOA-PHDIDXHHSA-N 0 3 383.239 1.674 20 30 GDEDHN N#Cc1cc2c(nc1N1CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C1)CCOC2 ZINC001164875285 721171114 /nfs/dbraw/zinc/17/11/14/721171114.db2.gz KTDXGVFOHQGTDF-UXHICEINSA-N 0 3 391.475 1.901 20 30 GDEDHN C#CCOCCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573286697 946818308 /nfs/dbraw/zinc/81/83/08/946818308.db2.gz HSRVWCWFORDSDG-QGZVFWFLSA-N 0 3 382.468 1.377 20 30 GDEDHN C#CCOCCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573286697 946818316 /nfs/dbraw/zinc/81/83/16/946818316.db2.gz HSRVWCWFORDSDG-QGZVFWFLSA-N 0 3 382.468 1.377 20 30 GDEDHN C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)nc1 ZINC001573287775 946848100 /nfs/dbraw/zinc/84/81/00/946848100.db2.gz KWZATOCNABJDQY-OAHLLOKOSA-N 0 3 391.410 1.386 20 30 GDEDHN C#Cc1ccc(C(=O)N[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C2CC2)nc1 ZINC001573288996 946881612 /nfs/dbraw/zinc/88/16/12/946881612.db2.gz WHPHOKKARVVUDR-IBGZPJMESA-N 0 3 387.447 1.541 20 30 GDEDHN C#Cc1ccc(C(=O)N[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C2CC2)nc1 ZINC001573288996 946881632 /nfs/dbraw/zinc/88/16/32/946881632.db2.gz WHPHOKKARVVUDR-IBGZPJMESA-N 0 3 387.447 1.541 20 30 GDEDHN C#Cc1cncc(C(=O)N2C[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)[C@@H](C)C2)c1 ZINC001573290558 946907142 /nfs/dbraw/zinc/90/71/42/946907142.db2.gz LMAOFHBBPZPLLJ-LIRRHRJNSA-N 0 3 387.447 1.493 20 30 GDEDHN C#Cc1cncc(C(=O)N2C[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)[C@@H](C)C2)c1 ZINC001573290558 946907150 /nfs/dbraw/zinc/90/71/50/946907150.db2.gz LMAOFHBBPZPLLJ-LIRRHRJNSA-N 0 3 387.447 1.493 20 30 GDEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)nc1 ZINC001573291162 946915567 /nfs/dbraw/zinc/91/55/67/946915567.db2.gz XZFCGOWWKCXBTG-GASCZTMLSA-N 0 3 391.410 1.433 20 30 GDEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)nc1 ZINC001573291162 946915573 /nfs/dbraw/zinc/91/55/73/946915573.db2.gz XZFCGOWWKCXBTG-GASCZTMLSA-N 0 3 391.410 1.433 20 30 GDEDHN C=C(Br)C[NH2+]C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573293319 946953887 /nfs/dbraw/zinc/95/38/87/946953887.db2.gz SKGBHOAOKCFFHC-JTQLQIEISA-N 0 3 380.250 1.155 20 30 GDEDHN C[C@@H]([NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001573564139 946989708 /nfs/dbraw/zinc/98/97/08/946989708.db2.gz GNADRPGJZUCSML-QWHCGFSZSA-N 0 3 385.447 1.882 20 30 GDEDHN C[C@@H]([NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)C1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001573564139 946989713 /nfs/dbraw/zinc/98/97/13/946989713.db2.gz GNADRPGJZUCSML-QWHCGFSZSA-N 0 3 385.447 1.882 20 30 GDEDHN C[C@@H](C#N)C(=O)NC1(C2CC[NH+](Cc3cccc(-c4nnn[n-]4)c3)CC2)CC1 ZINC001573575678 947140858 /nfs/dbraw/zinc/14/08/58/947140858.db2.gz ZHSWPWRQGMWXIO-AWEZNQCLSA-N 0 3 379.468 1.887 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573309032 947189310 /nfs/dbraw/zinc/18/93/10/947189310.db2.gz BRJRIPVACTYMDB-YWMUFLPLSA-N 0 3 398.511 1.911 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573309032 947189319 /nfs/dbraw/zinc/18/93/19/947189319.db2.gz BRJRIPVACTYMDB-YWMUFLPLSA-N 0 3 398.511 1.911 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573309337 947195870 /nfs/dbraw/zinc/19/58/70/947195870.db2.gz HDWAXDKOGVRCDQ-FXAWDEMLSA-N 0 3 384.484 1.617 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573309337 947195875 /nfs/dbraw/zinc/19/58/75/947195875.db2.gz HDWAXDKOGVRCDQ-FXAWDEMLSA-N 0 3 384.484 1.617 20 30 GDEDHN C[C@H](C#N)C(=O)N[C@H](C)C1CC[NH+](Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573585795 947268112 /nfs/dbraw/zinc/26/81/12/947268112.db2.gz WRTJHVIKPXVLNC-CHWSQXEVSA-N 0 3 385.447 1.882 20 30 GDEDHN C=CCCOCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573336572 947507810 /nfs/dbraw/zinc/50/78/10/947507810.db2.gz PBWFYHYILPCGSN-HNNXBMFYSA-N 0 3 388.447 1.679 20 30 GDEDHN C=CCCOCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573336572 947507821 /nfs/dbraw/zinc/50/78/21/947507821.db2.gz PBWFYHYILPCGSN-HNNXBMFYSA-N 0 3 388.447 1.679 20 30 GDEDHN C=CCOCC(=O)NC[C@@H]1C[N@@H+](Cc2cc(F)ccc2-c2nnn[n-]2)C[C@H]1C ZINC001573343493 947559236 /nfs/dbraw/zinc/55/92/36/947559236.db2.gz PXOWSJWYGAAMQQ-UKRRQHHQSA-N 0 3 388.447 1.393 20 30 GDEDHN C=CCOCC(=O)NC[C@@H]1C[N@H+](Cc2cc(F)ccc2-c2nnn[n-]2)C[C@H]1C ZINC001573343493 947559243 /nfs/dbraw/zinc/55/92/43/947559243.db2.gz PXOWSJWYGAAMQQ-UKRRQHHQSA-N 0 3 388.447 1.393 20 30 GDEDHN C=CCOCC(=O)NC[C@@H]1C[N@@H+](Cc2cc(F)ccc2-c2nn[n-]n2)C[C@H]1C ZINC001573343493 947559251 /nfs/dbraw/zinc/55/92/51/947559251.db2.gz PXOWSJWYGAAMQQ-UKRRQHHQSA-N 0 3 388.447 1.393 20 30 GDEDHN C=CCOCC(=O)NC[C@@H]1C[N@H+](Cc2cc(F)ccc2-c2nn[n-]n2)C[C@H]1C ZINC001573343493 947559259 /nfs/dbraw/zinc/55/92/59/947559259.db2.gz PXOWSJWYGAAMQQ-UKRRQHHQSA-N 0 3 388.447 1.393 20 30 GDEDHN C=CCOCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573343559 947560099 /nfs/dbraw/zinc/56/00/99/947560099.db2.gz QEWWLXUSBWGSSA-XJKSGUPXSA-N 0 3 388.447 1.583 20 30 GDEDHN C=CCOCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573343559 947560104 /nfs/dbraw/zinc/56/01/04/947560104.db2.gz QEWWLXUSBWGSSA-XJKSGUPXSA-N 0 3 388.447 1.583 20 30 GDEDHN C[C@H](CN(C)C(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574739522 950195051 /nfs/dbraw/zinc/19/50/51/950195051.db2.gz QVYICBJVDPIXEW-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575915245 950506819 /nfs/dbraw/zinc/50/68/19/950506819.db2.gz WQGJDRKGUUXLFL-BLLLJJGKSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575915245 950506841 /nfs/dbraw/zinc/50/68/41/950506841.db2.gz WQGJDRKGUUXLFL-BLLLJJGKSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@H](C[C@H](C)NC(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574527573 950895872 /nfs/dbraw/zinc/89/58/72/950895872.db2.gz DNGYDEVJNNQEHM-OLZOCXBDSA-N 0 3 378.440 1.753 20 30 GDEDHN C[C@H](C[C@H](C)NC(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574527573 950895881 /nfs/dbraw/zinc/89/58/81/950895881.db2.gz DNGYDEVJNNQEHM-OLZOCXBDSA-N 0 3 378.440 1.753 20 30 GDEDHN C[C@H](C[NH2+]Cc1ccc(F)c(C#N)c1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575104559 951888636 /nfs/dbraw/zinc/88/86/36/951888636.db2.gz DWZOWGQIPDLGPK-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@H](C[NH2+]Cc1ccc(F)c(C#N)c1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575104559 951888639 /nfs/dbraw/zinc/88/86/39/951888639.db2.gz DWZOWGQIPDLGPK-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC2(CC[N@H+](Cc3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC001571151144 952673766 /nfs/dbraw/zinc/67/37/66/952673766.db2.gz MIYGJYQOCVMCOQ-OAHLLOKOSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC2(CC[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC001571151144 952673769 /nfs/dbraw/zinc/67/37/69/952673769.db2.gz MIYGJYQOCVMCOQ-OAHLLOKOSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC2(CC[N@H+](Cc3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC001571151144 952673771 /nfs/dbraw/zinc/67/37/71/952673771.db2.gz MIYGJYQOCVMCOQ-OAHLLOKOSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC2(CC[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC001571151144 952673773 /nfs/dbraw/zinc/67/37/73/952673773.db2.gz MIYGJYQOCVMCOQ-OAHLLOKOSA-N 0 3 379.468 1.841 20 30 GDEDHN COC(=O)[C@@]1(C)CN(C(=O)C(C#N)Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC001571202496 953026282 /nfs/dbraw/zinc/02/62/82/953026282.db2.gz ZEBYGPQIKFKNLA-ODYMNIRHSA-N 0 3 382.424 1.207 20 30 GDEDHN CN(CCC#N)c1ccc(CNCCS(=O)(=O)N2CCSCC2)cc1 ZINC000107319469 530854200 /nfs/dbraw/zinc/85/42/00/530854200.db2.gz FAOVYAXXZGASEO-UHFFFAOYSA-N 0 3 382.555 1.505 20 30 GDEDHN C=C(C)CN1CCC(NC(=O)NCCNS(=O)(=O)c2cccs2)CC1 ZINC000120971073 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MZPNKXVZBHEHJM-SNVBAGLBSA-N 0 3 386.193 1.831 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCS2)cc1 ZINC000569465126 531923187 /nfs/dbraw/zinc/92/31/87/531923187.db2.gz ZDOJELLHMGIALY-YPMHNXCESA-N 0 3 381.479 1.323 20 30 GDEDHN N#Cc1cc(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)ccc1Cl ZINC000608866934 532106266 /nfs/dbraw/zinc/10/62/66/532106266.db2.gz BQNDTQQQONQPMM-LBPRGKRZSA-N 0 3 384.889 1.077 20 30 GDEDHN Cc1c(NC(=O)C(=O)NCCN(C)C2CC2)ccc(Br)c1C#N ZINC000425736274 532147928 /nfs/dbraw/zinc/14/79/28/532147928.db2.gz DKGLUSYQYOTDTF-UHFFFAOYSA-N 0 3 379.258 1.778 20 30 GDEDHN CN1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc(C#N)cc3Cl)CC2)C1 ZINC000376160917 532197944 /nfs/dbraw/zinc/19/79/44/532197944.db2.gz FMSQEJZYDFRTLB-OAHLLOKOSA-N 0 3 382.917 1.612 20 30 GDEDHN N#Cc1ccc([C@H](O)C[N@@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000822825382 606854603 /nfs/dbraw/zinc/85/46/03/606854603.db2.gz CTVFDVDGGRJSHC-HXUWFJFHSA-N 0 3 389.463 1.984 20 30 GDEDHN N#Cc1ccc([C@H](O)C[N@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000822825382 606854605 /nfs/dbraw/zinc/85/46/05/606854605.db2.gz CTVFDVDGGRJSHC-HXUWFJFHSA-N 0 3 389.463 1.984 20 30 GDEDHN N#Cc1ccc([C@H](O)C[N@@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000822825382 606854607 /nfs/dbraw/zinc/85/46/07/606854607.db2.gz CTVFDVDGGRJSHC-HXUWFJFHSA-N 0 3 389.463 1.984 20 30 GDEDHN N#Cc1ccc([C@H](O)C[N@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000822825382 606854609 /nfs/dbraw/zinc/85/46/09/606854609.db2.gz CTVFDVDGGRJSHC-HXUWFJFHSA-N 0 3 389.463 1.984 20 30 GDEDHN CN(CCC#N)C(=O)CC[NH+]1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825914344 608204875 /nfs/dbraw/zinc/20/48/75/608204875.db2.gz AOOSFDXSXRKHPH-UHFFFAOYSA-N 0 3 383.456 1.472 20 30 GDEDHN N#CC(C(=O)NC1CC1)C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000129559441 644735570 /nfs/dbraw/zinc/73/55/70/644735570.db2.gz IHCVULQOWGCNJA-RYUDHWBXSA-N 0 3 390.237 1.789 20 30 GDEDHN CC(C)NC(=O)C(C#N)C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000130837972 644741100 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N#CCCCC[C@@H](N)C(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000594444737 652285366 /nfs/dbraw/zinc/28/53/66/652285366.db2.gz CHMBVVVHZXQTAQ-CABCVRRESA-N 0 3 393.285 1.860 20 30 GDEDHN C=CCCOCCN[C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000773103730 654581438 /nfs/dbraw/zinc/58/14/38/654581438.db2.gz BWMVFEPVSBSNDI-CQSZACIVSA-N 0 3 390.527 1.656 20 30 GDEDHN C#CCN(C)CCCNC(=O)[C@H](NC(C)=O)c1cccc(Br)c1 ZINC000868581490 656161842 /nfs/dbraw/zinc/16/18/42/656161842.db2.gz GXZCGLXQXXWFRS-MRXNPFEDSA-N 0 3 380.286 1.698 20 30 GDEDHN Cn1ccn2c(CCNCc3cc(C#N)ccc3Br)nnc2c1=O ZINC000922338305 656469011 /nfs/dbraw/zinc/46/90/11/656469011.db2.gz NHAYYWHBGFBQRB-UHFFFAOYSA-N 0 3 387.241 1.394 20 30 GDEDHN C#CCN(C(=O)C(=O)NCc1ccc(Br)cc1)C1CCN(C)CC1 ZINC000929302151 656959106 /nfs/dbraw/zinc/95/91/06/656959106.db2.gz NAAAGQWPORSSKL-UHFFFAOYSA-N 0 3 392.297 1.621 20 30 GDEDHN N#Cc1cc(Br)ccc1CC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000889747705 658028304 /nfs/dbraw/zinc/02/83/04/658028304.db2.gz BLZLUGUDBAQHFX-DLBZAZTESA-N 0 3 392.297 1.921 20 30 GDEDHN C[N@@H+](Cc1ccccc1-c1nnn[n-]1)C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001571298329 946214811 /nfs/dbraw/zinc/21/48/11/946214811.db2.gz CWNWINXMIXSDAR-CQSZACIVSA-N 0 3 390.451 1.661 20 30 GDEDHN C[N@H+](Cc1ccccc1-c1nnn[n-]1)C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001571298329 946214820 /nfs/dbraw/zinc/21/48/20/946214820.db2.gz CWNWINXMIXSDAR-CQSZACIVSA-N 0 3 390.451 1.661 20 30 GDEDHN C[N@@H+](Cc1ccccc1-c1nn[n-]n1)C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001571298329 946214828 /nfs/dbraw/zinc/21/48/28/946214828.db2.gz CWNWINXMIXSDAR-CQSZACIVSA-N 0 3 390.451 1.661 20 30 GDEDHN C[N@H+](Cc1ccccc1-c1nn[n-]n1)C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001571298329 946214839 /nfs/dbraw/zinc/21/48/39/946214839.db2.gz CWNWINXMIXSDAR-CQSZACIVSA-N 0 3 390.451 1.661 20 30 GDEDHN C#CCO[C@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573286398 946804894 /nfs/dbraw/zinc/80/48/94/946804894.db2.gz ARZUQMJGGKKZTK-NVXWUHKLSA-N 0 3 382.468 1.376 20 30 GDEDHN C#CCO[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573286398 946804911 /nfs/dbraw/zinc/80/49/11/946804911.db2.gz ARZUQMJGGKKZTK-NVXWUHKLSA-N 0 3 382.468 1.376 20 30 GDEDHN C#CCO[C@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573286398 946804922 /nfs/dbraw/zinc/80/49/22/946804922.db2.gz ARZUQMJGGKKZTK-NVXWUHKLSA-N 0 3 382.468 1.376 20 30 GDEDHN C#CCO[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573286398 946804941 /nfs/dbraw/zinc/80/49/41/946804941.db2.gz ARZUQMJGGKKZTK-NVXWUHKLSA-N 0 3 382.468 1.376 20 30 GDEDHN C#Cc1ccc(C(=O)NC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C2CC2)nc1 ZINC001573288106 946858280 /nfs/dbraw/zinc/85/82/80/946858280.db2.gz NMCDIPQKYNDGJB-LJQANCHMSA-N 0 3 387.447 1.541 20 30 GDEDHN C#Cc1ccc(C(=O)NC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C2CC2)nc1 ZINC001573288106 946858288 /nfs/dbraw/zinc/85/82/88/946858288.db2.gz NMCDIPQKYNDGJB-LJQANCHMSA-N 0 3 387.447 1.541 20 30 GDEDHN C=C(Br)CNC[C@@H]1CCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573292902 946942978 /nfs/dbraw/zinc/94/29/78/946942978.db2.gz GROQNEWFXAVDGT-JTQLQIEISA-N 0 3 380.250 1.298 20 30 GDEDHN C[C@H](C#N)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001573565998 947018931 /nfs/dbraw/zinc/01/89/31/947018931.db2.gz YTRWOGAACSXMHY-QRWLVFNGSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@H](C#N)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001573565998 947018939 /nfs/dbraw/zinc/01/89/39/947018939.db2.gz YTRWOGAACSXMHY-QRWLVFNGSA-N 0 3 379.468 1.841 20 30 GDEDHN C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]21 ZINC001573295900 947031658 /nfs/dbraw/zinc/03/16/58/947031658.db2.gz WGSONNGXJRAGDS-KWCYVHTRSA-N 0 3 375.864 1.778 20 30 GDEDHN C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]21 ZINC001573295900 947031670 /nfs/dbraw/zinc/03/16/70/947031670.db2.gz WGSONNGXJRAGDS-KWCYVHTRSA-N 0 3 375.864 1.778 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573569664 947076432 /nfs/dbraw/zinc/07/64/32/947076432.db2.gz DKBYGGXXQBNUBZ-WWGRRREGSA-N 0 3 385.447 1.882 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573570158 947084784 /nfs/dbraw/zinc/08/47/84/947084784.db2.gz LGUGXCJNGXDQLT-IPYPFGDCSA-N 0 3 385.447 1.882 20 30 GDEDHN C=CCC(C)(C)C(=O)NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001573318658 947311938 /nfs/dbraw/zinc/31/19/38/947311938.db2.gz FDBWPWOFKKHSDI-UHFFFAOYSA-N 0 3 384.488 1.102 20 30 GDEDHN C=CCCO[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573336107 947501334 /nfs/dbraw/zinc/50/13/34/947501334.db2.gz INYUUHKERDMSJU-RDJZCZTQSA-N 0 3 384.484 1.786 20 30 GDEDHN C=CCCO[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573336107 947501337 /nfs/dbraw/zinc/50/13/37/947501337.db2.gz INYUUHKERDMSJU-RDJZCZTQSA-N 0 3 384.484 1.786 20 30 GDEDHN C=CCCO[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573336107 947501348 /nfs/dbraw/zinc/50/13/48/947501348.db2.gz INYUUHKERDMSJU-RDJZCZTQSA-N 0 3 384.484 1.786 20 30 GDEDHN C=CCCO[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573336107 947501355 /nfs/dbraw/zinc/50/13/55/947501355.db2.gz INYUUHKERDMSJU-RDJZCZTQSA-N 0 3 384.484 1.786 20 30 GDEDHN C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)[C@H](C)C1 ZINC001573341617 947533668 /nfs/dbraw/zinc/53/36/68/947533668.db2.gz OESJTXJFQQFKFW-UKRRQHHQSA-N 0 3 388.447 1.393 20 30 GDEDHN C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)[C@H](C)C1 ZINC001573341617 947533676 /nfs/dbraw/zinc/53/36/76/947533676.db2.gz OESJTXJFQQFKFW-UKRRQHHQSA-N 0 3 388.447 1.393 20 30 GDEDHN C[C@@H](CN(C)C(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574753905 950549163 /nfs/dbraw/zinc/54/91/63/950549163.db2.gz VKBSAOMEILKBMT-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@@H](CN(C)C(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574753905 950549176 /nfs/dbraw/zinc/54/91/76/950549176.db2.gz VKBSAOMEILKBMT-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1c[nH]c(C#N)c1 ZINC001575079457 951693052 /nfs/dbraw/zinc/69/30/52/951693052.db2.gz PTTGKKFORYBMAV-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)c1 ZINC001571154726 952689522 /nfs/dbraw/zinc/68/95/22/952689522.db2.gz AGTLNXHXJMWLFL-JOCQHMNTSA-N 0 3 380.387 1.256 20 30 GDEDHN N#Cc1c[nH]c(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)c1 ZINC001571154726 952689525 /nfs/dbraw/zinc/68/95/25/952689525.db2.gz AGTLNXHXJMWLFL-JOCQHMNTSA-N 0 3 380.387 1.256 20 30 GDEDHN CCN1CCN(C[C@H](C)CNS(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000184927575 530833933 /nfs/dbraw/zinc/83/39/33/530833933.db2.gz KVINPTASPYFKJW-CQSZACIVSA-N 0 3 384.933 1.764 20 30 GDEDHN C=C(C)C[NH+]1CCC(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000106035260 530845899 /nfs/dbraw/zinc/84/58/99/530845899.db2.gz PEWLRJQCLKKREC-UHFFFAOYSA-N 0 3 391.946 1.837 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(Br)c(OC)c1 ZINC000293350005 531416547 /nfs/dbraw/zinc/41/65/47/531416547.db2.gz KUKPSGQDZYENKN-UHFFFAOYSA-N 0 3 382.258 1.468 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1c(F)cc(Br)cc1F ZINC000293459388 531422245 /nfs/dbraw/zinc/42/22/45/531422245.db2.gz TXVUKFRUPQUGCG-UHFFFAOYSA-N 0 3 388.212 1.737 20 30 GDEDHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000293473271 531423615 /nfs/dbraw/zinc/42/36/15/531423615.db2.gz RULDXECVIBYZCT-CYBMUJFWSA-N 0 3 379.258 1.860 20 30 GDEDHN CCNC(=O)NC(=O)C(C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000414220327 531435205 /nfs/dbraw/zinc/43/52/05/531435205.db2.gz JCUYCNIVYPJTNS-MRVPVSSYSA-N 0 3 377.344 1.585 20 30 GDEDHN CC1CCN(C[C@H](O)CNS(=O)(=O)c2ccc(CC#N)cc2Cl)CC1 ZINC000451231712 531572225 /nfs/dbraw/zinc/57/22/25/531572225.db2.gz UEZPRZVEWOYOKJ-OAHLLOKOSA-N 0 3 385.917 1.777 20 30 GDEDHN C=C[C@H](CO)NCCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000662165422 531669361 /nfs/dbraw/zinc/66/93/61/531669361.db2.gz GJYKMQKWMPOIHV-LLVKDONJSA-N 0 3 375.878 1.055 20 30 GDEDHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419694196 531957370 /nfs/dbraw/zinc/95/73/70/531957370.db2.gz JCILLXMFFIEUMA-GFCCVEGCSA-N 0 3 379.258 1.860 20 30 GDEDHN CC(C)(C#N)C[C@H](O)C[NH2+]CC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000598727469 531993192 /nfs/dbraw/zinc/99/31/92/531993192.db2.gz IMYNYJVHOUCCFD-LBPRGKRZSA-N 0 3 377.869 1.648 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@](C)(O)C(F)(F)F)cc1 ZINC000287495568 532218861 /nfs/dbraw/zinc/21/88/61/532218861.db2.gz ZYCSDSWKXPQTMS-NOZJJQNGSA-N 0 3 379.360 1.807 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1 ZINC000429925982 532239394 /nfs/dbraw/zinc/23/93/94/532239394.db2.gz PMIQCGMCHHXIED-IAQYHMDHSA-N 0 3 385.467 1.071 20 30 GDEDHN CN1CCC[C@H](N2CCN(S(=O)(=O)c3cccc(Cl)c3C#N)CC2)C1 ZINC000377749090 532271940 /nfs/dbraw/zinc/27/19/40/532271940.db2.gz YRHAYDZJBBMMJY-AWEZNQCLSA-N 0 3 382.917 1.612 20 30 GDEDHN N#Cc1cnc2c(Br)cccc2c1N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565232543 650788021 /nfs/dbraw/zinc/78/80/21/650788021.db2.gz JYAJQUAWRLONSQ-BXUZGUMPSA-N 0 3 386.253 1.617 20 30 GDEDHN C#CCN1CCC(C(=O)NC[C@@H](O)COc2ccccc2Br)CC1 ZINC000165823636 644865369 /nfs/dbraw/zinc/86/53/69/644865369.db2.gz WJMQNDGPGCVEBZ-OAHLLOKOSA-N 0 3 395.297 1.650 20 30 GDEDHN COCCNC(=O)C(C#N)C(=O)CSc1ncnc2sc(C)c(C)c21 ZINC000916892265 660203008 /nfs/dbraw/zinc/20/30/08/660203008.db2.gz KLQYDQZTQBPZHE-LLVKDONJSA-N 0 3 378.479 1.872 20 30 GDEDHN CS(=O)(=O)N1CCC(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000916883727 660203051 /nfs/dbraw/zinc/20/30/51/660203051.db2.gz SXZXAPJJTVSTCJ-AWEZNQCLSA-N 0 3 383.857 1.659 20 30 GDEDHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(C#N)c(Br)c3)C[C@@H]21 ZINC000583186424 652029092 /nfs/dbraw/zinc/02/90/92/652029092.db2.gz YLZLDKAPSQNEHU-RISCZKNCSA-N 0 3 377.242 1.422 20 30 GDEDHN C#CCN(C)CCCNS(=O)(=O)Cc1ccc(Br)c(F)c1 ZINC000831637901 654990441 /nfs/dbraw/zinc/99/04/41/654990441.db2.gz WZRHRJLTRZMVEP-UHFFFAOYSA-N 0 3 377.279 1.963 20 30 GDEDHN COCCNC(=O)C(C#N)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000835062717 655084904 /nfs/dbraw/zinc/08/49/04/655084904.db2.gz WPENXZPPIRQQLL-LBPRGKRZSA-N 0 3 380.198 1.171 20 30 GDEDHN C#CCN(C)CCCNS(=O)(=O)c1cc(OC)ccc1Br ZINC000815082450 655286211 /nfs/dbraw/zinc/28/62/11/655286211.db2.gz RLIMWQQICLTSNV-UHFFFAOYSA-N 0 3 375.288 1.691 20 30 GDEDHN C#CCN(C)CCCNC(=O)c1ccc2ncc(I)n2c1 ZINC000818615214 655377530 /nfs/dbraw/zinc/37/75/30/655377530.db2.gz CYXXJCYJMTYBNH-UHFFFAOYSA-N 0 3 396.232 1.624 20 30 GDEDHN C#CCN(C)CCCNC(=O)c1ccc(OC)c(I)c1 ZINC000818615229 655377558 /nfs/dbraw/zinc/37/75/58/655377558.db2.gz DSIRCHOKRUBEPG-UHFFFAOYSA-N 0 3 386.233 1.985 20 30 GDEDHN C=CCNS(=O)(=O)c1ccc(CC(=O)N(CCC)[C@H]2CCN(C)C2)s1 ZINC000824020954 655470592 /nfs/dbraw/zinc/47/05/92/655470592.db2.gz DNYIUVNHSWFFQJ-AWEZNQCLSA-N 0 3 385.555 1.698 20 30 GDEDHN C#CCN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CC[NH+](C)CC1 ZINC000886582516 657676982 /nfs/dbraw/zinc/67/69/82/657676982.db2.gz XZEMXNYHFSBNAB-UHFFFAOYSA-N 0 3 389.930 1.236 20 30 GDEDHN CN(C)CCN1C[C@H](C(=O)Nc2ccc(Br)c(C#N)c2)CC1=O ZINC000887994944 657853930 /nfs/dbraw/zinc/85/39/30/657853930.db2.gz PTEVBEYNZKOWFZ-GFCCVEGCSA-N 0 3 379.258 1.669 20 30 GDEDHN C=CCNC(=O)c1cccnc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737148 720761197 /nfs/dbraw/zinc/76/11/97/720761197.db2.gz ABCSADXDIWHSJY-HZPDHXFCSA-N 0 3 380.452 1.129 20 30 GDEDHN C=CCNC(=O)c1cccnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164878403 721141300 /nfs/dbraw/zinc/14/13/00/721141300.db2.gz QAQHWLMXPNJETG-MOPGFXCFSA-N 0 3 393.491 1.872 20 30 GDEDHN N#Cc1cc2c(nc1N1CCN3C[C@H](OCc4cccnc4)C[C@H]3C1)CCOC2 ZINC001164875287 721171743 /nfs/dbraw/zinc/17/17/43/721171743.db2.gz KTDXGVFOHQGTDF-VQTJNVASSA-N 0 3 391.475 1.901 20 30 GDEDHN C#CCCCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC001573283560 946720502 /nfs/dbraw/zinc/72/05/02/946720502.db2.gz VFAQOKWVNQVYFY-WKILWMFISA-N 0 3 382.468 1.806 20 30 GDEDHN C#CCCCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC001573283560 946720509 /nfs/dbraw/zinc/72/05/09/946720509.db2.gz VFAQOKWVNQVYFY-WKILWMFISA-N 0 3 382.468 1.806 20 30 GDEDHN C#CCCCC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573285010 946765651 /nfs/dbraw/zinc/76/56/51/946765651.db2.gz PYTAEFQPPWXDBZ-HOCLYGCPSA-N 0 3 384.459 1.993 20 30 GDEDHN C#CCCCC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573285010 946765660 /nfs/dbraw/zinc/76/56/60/946765660.db2.gz PYTAEFQPPWXDBZ-HOCLYGCPSA-N 0 3 384.459 1.993 20 30 GDEDHN C#CCOCCC(=O)N1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C(C)(C)C1 ZINC001573286647 946815275 /nfs/dbraw/zinc/81/52/75/946815275.db2.gz GXKZGUXHQXFUNT-KRWDZBQOSA-N 0 3 382.468 1.233 20 30 GDEDHN C#CCOCCC(=O)N1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C(C)(C)C1 ZINC001573286647 946815284 /nfs/dbraw/zinc/81/52/84/946815284.db2.gz GXKZGUXHQXFUNT-KRWDZBQOSA-N 0 3 382.468 1.233 20 30 GDEDHN C#Cc1ccc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)nc1 ZINC001573288611 946873208 /nfs/dbraw/zinc/87/32/08/946873208.db2.gz SEPCMHMEKQYJDZ-MAEOIBBWSA-N 0 3 387.447 1.541 20 30 GDEDHN C#Cc1ccc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)nc1 ZINC001573288611 946873216 /nfs/dbraw/zinc/87/32/16/946873216.db2.gz SEPCMHMEKQYJDZ-MAEOIBBWSA-N 0 3 387.447 1.541 20 30 GDEDHN C=CCC1(C(=O)NC[C@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC001573326330 947372301 /nfs/dbraw/zinc/37/23/01/947372301.db2.gz NREAJRYIKDYZFS-HNNXBMFYSA-N 0 3 384.484 1.834 20 30 GDEDHN C=CCC1(C(=O)NC[C@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC001573326330 947372306 /nfs/dbraw/zinc/37/23/06/947372306.db2.gz NREAJRYIKDYZFS-HNNXBMFYSA-N 0 3 384.484 1.834 20 30 GDEDHN C=CCCOCC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573337021 947513495 /nfs/dbraw/zinc/51/34/95/947513495.db2.gz SRTOPIVMDKURAM-FQEVSTJZSA-N 0 3 384.484 1.788 20 30 GDEDHN C=CCCOCC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573337021 947513504 /nfs/dbraw/zinc/51/35/04/947513504.db2.gz SRTOPIVMDKURAM-FQEVSTJZSA-N 0 3 384.484 1.788 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC1(C[NH2+]Cc2ccccc2-c2nnn[n-]2)CCCC1 ZINC001573350539 947599446 /nfs/dbraw/zinc/59/94/46/947599446.db2.gz FRGBWXAHPBXXMN-MSOLQXFVSA-N 0 3 396.495 1.976 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC1(C[NH2+]Cc2ccccc2-c2nn[n-]n2)CCCC1 ZINC001573350539 947599456 /nfs/dbraw/zinc/59/94/56/947599456.db2.gz FRGBWXAHPBXXMN-MSOLQXFVSA-N 0 3 396.495 1.976 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573351553 947616139 /nfs/dbraw/zinc/61/61/39/947616139.db2.gz RXTIKVXSKDMHFR-UAGQMJEPSA-N 0 3 388.447 1.581 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573351553 947616143 /nfs/dbraw/zinc/61/61/43/947616143.db2.gz RXTIKVXSKDMHFR-UAGQMJEPSA-N 0 3 388.447 1.581 20 30 GDEDHN C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575081214 951722356 /nfs/dbraw/zinc/72/23/56/951722356.db2.gz PXOWPGJGGPPSHT-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575081214 951722363 /nfs/dbraw/zinc/72/23/63/951722363.db2.gz PXOWPGJGGPPSHT-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000184666920 530831018 /nfs/dbraw/zinc/83/10/18/530831018.db2.gz OPMBLVUZSRMDCG-NSHDSACASA-N 0 3 382.873 1.741 20 30 GDEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(S(=O)(=O)NC)s2)CC1 ZINC000106275538 530847297 /nfs/dbraw/zinc/84/72/97/530847297.db2.gz SNZZFJFZLSVCBK-UHFFFAOYSA-N 0 3 386.543 1.496 20 30 GDEDHN C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@]2(N(C)C)CCSC2)c1 ZINC000267089517 531396154 /nfs/dbraw/zinc/39/61/54/531396154.db2.gz IDPUZPCWOWDKJG-KRWDZBQOSA-N 0 3 383.539 1.318 20 30 GDEDHN N#Cc1ccc(OCC(=O)N[C@@H](CO)CN2CCCCC2)cc1Br ZINC000413799203 531418415 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N#Cc1ccc(NC(=O)CCN2CCC(CS(N)(=O)=O)CC2)cc1Cl ZINC000299726185 532023753 /nfs/dbraw/zinc/02/37/53/532023753.db2.gz URGIYVCCFLAZJO-UHFFFAOYSA-N 0 3 384.889 1.541 20 30 GDEDHN CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccc(C#N)c(Br)c3)[C@@H]2C1 ZINC000425813990 532155800 /nfs/dbraw/zinc/15/58/00/532155800.db2.gz AYKDTELCHPUPFD-SWLSCSKDSA-N 0 3 391.269 1.812 20 30 GDEDHN C[C@H](NC(=O)c1ccc(Br)s1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000129618664 644735446 /nfs/dbraw/zinc/73/54/46/644735446.db2.gz JCNDVWZCPVUNML-IONNQARKSA-N 0 3 384.255 1.616 20 30 GDEDHN CN1CC[C@@H]2CN(S(=O)(=O)c3cc(Br)cc(C#N)c3)C[C@@H]2C1 ZINC000916664148 660198336 /nfs/dbraw/zinc/19/83/36/660198336.db2.gz RFWFPXYBBACHLH-OLZOCXBDSA-N 0 3 384.299 1.893 20 30 GDEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)CCn1cc(Br)cn1 ZINC000917422783 660212921 /nfs/dbraw/zinc/21/29/21/660212921.db2.gz NYMCEOQQVHCGHQ-ZDUSSCGKSA-N 0 3 385.262 1.676 20 30 GDEDHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000443244139 647193669 /nfs/dbraw/zinc/19/36/69/647193669.db2.gz GOEPESGWFAUMGZ-AWEZNQCLSA-N 0 3 384.933 1.764 20 30 GDEDHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000571746295 651081592 /nfs/dbraw/zinc/08/15/92/651081592.db2.gz LXJHNWKMANYUJE-NSHDSACASA-N 0 3 379.258 1.717 20 30 GDEDHN N#CC(C(=O)CSc1ccc(F)c(F)c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000732908825 654492673 /nfs/dbraw/zinc/49/26/73/654492673.db2.gz SMIJXKUVYIHMSU-NSHDSACASA-N 0 3 388.417 1.023 20 30 GDEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)C[C@@H]1CCS(=O)(=O)C1 ZINC000740888065 654675121 /nfs/dbraw/zinc/67/51/21/654675121.db2.gz MCUAFVXLMPMXSF-QWHCGFSZSA-N 0 3 377.491 1.839 20 30 GDEDHN C[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CCS1(=O)=O ZINC000759998867 655099402 /nfs/dbraw/zinc/09/94/02/655099402.db2.gz JLRNLSKXDSJQFE-CHWSQXEVSA-N 0 3 377.491 1.982 20 30 GDEDHN C#CCN(C)CCCNC(=O)N(CCO)Cc1cc(Br)cs1 ZINC000838623744 655221016 /nfs/dbraw/zinc/22/10/16/655221016.db2.gz KJSXLUONSNIADI-UHFFFAOYSA-N 0 3 388.331 1.970 20 30 GDEDHN C#CCN(C)CCCNC(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000818584648 655376742 /nfs/dbraw/zinc/37/67/42/655376742.db2.gz SYPYYYKKSDTUTO-UHFFFAOYSA-N 0 3 383.539 1.608 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000876894917 656637571 /nfs/dbraw/zinc/63/75/71/656637571.db2.gz YUKQEZLFTBLYCB-OLZOCXBDSA-N 0 3 386.677 1.919 20 30 GDEDHN CN(CCNC(=O)Nc1ccc(C#N)c(Br)c1)CCOCCO ZINC000879542332 656804495 /nfs/dbraw/zinc/80/44/95/656804495.db2.gz XCJHYFOHIXOKRG-UHFFFAOYSA-N 0 3 385.262 1.383 20 30 GDEDHN C#CCN(C(=O)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12)C1CCN(C)CC1 ZINC000930561049 657034294 /nfs/dbraw/zinc/03/42/94/657034294.db2.gz SYWKHRJKEVTLNA-OWCLPIDISA-N 0 3 381.567 1.038 20 30 GDEDHN N#Cc1nc(NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)ccc1Br ZINC000932158590 657153767 /nfs/dbraw/zinc/15/37/67/657153767.db2.gz LSMFUTKMNXVLEH-KGLIPLIRSA-N 0 3 394.273 1.779 20 30 GDEDHN N#C[C@@H]1CNCC12CC(C(=O)N1CCC(n3cc(Br)cn3)CC1)C2 ZINC000884135041 657328578 /nfs/dbraw/zinc/32/85/78/657328578.db2.gz ZMXMMHOPYNZCLG-UIORMTCPSA-N 0 3 392.301 1.948 20 30 GDEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@H]2CCCN2CC(F)(F)F)nc1 ZINC000905567079 659465850 /nfs/dbraw/zinc/46/58/50/659465850.db2.gz XVYQGJBMQNJSQK-CYBMUJFWSA-N 0 3 376.404 1.343 20 30 GDEDHN C[N@H+](Cc1ccccc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001571298796 946230843 /nfs/dbraw/zinc/23/08/43/946230843.db2.gz KNQRUHJLCYOUJN-QGZVFWFLSA-N 0 3 390.451 1.803 20 30 GDEDHN C[N@@H+](Cc1ccccc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001571298796 946230854 /nfs/dbraw/zinc/23/08/54/946230854.db2.gz KNQRUHJLCYOUJN-QGZVFWFLSA-N 0 3 390.451 1.803 20 30 GDEDHN C[N@H+](Cc1ccccc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001571298796 946230867 /nfs/dbraw/zinc/23/08/67/946230867.db2.gz KNQRUHJLCYOUJN-QGZVFWFLSA-N 0 3 390.451 1.803 20 30 GDEDHN C[N@@H+](Cc1ccccc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001571298796 946230873 /nfs/dbraw/zinc/23/08/73/946230873.db2.gz KNQRUHJLCYOUJN-QGZVFWFLSA-N 0 3 390.451 1.803 20 30 GDEDHN C=CCS(=O)(=O)CC[NH2+]C1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823932096 946521512 /nfs/dbraw/zinc/52/15/12/946521512.db2.gz OKAHXZNHAJKNGQ-UHFFFAOYSA-N 0 3 390.513 1.022 20 30 GDEDHN C#CCCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)[C@H](C)C1 ZINC001573284565 946750854 /nfs/dbraw/zinc/75/08/54/946750854.db2.gz GKFTYBLVBMYLLS-RHSMWYFYSA-N 0 3 384.459 1.993 20 30 GDEDHN C#CCCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)[C@H](C)C1 ZINC001573284565 946750861 /nfs/dbraw/zinc/75/08/61/946750861.db2.gz GKFTYBLVBMYLLS-RHSMWYFYSA-N 0 3 384.459 1.993 20 30 GDEDHN C#CCCCC(=O)N1CCC[C@@](CO)([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573285482 946779897 /nfs/dbraw/zinc/77/98/97/946779897.db2.gz YOTXTANABBLJEX-HXUWFJFHSA-N 0 3 382.468 1.113 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573286499 946809853 /nfs/dbraw/zinc/80/98/53/946809853.db2.gz CPNDZZVJABDWDX-YJBOKZPZSA-N 0 3 382.468 1.376 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573286499 946809868 /nfs/dbraw/zinc/80/98/68/946809868.db2.gz CPNDZZVJABDWDX-YJBOKZPZSA-N 0 3 382.468 1.376 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573286499 946809877 /nfs/dbraw/zinc/80/98/77/946809877.db2.gz CPNDZZVJABDWDX-YJBOKZPZSA-N 0 3 382.468 1.376 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573286499 946809888 /nfs/dbraw/zinc/80/98/88/946809888.db2.gz CPNDZZVJABDWDX-YJBOKZPZSA-N 0 3 382.468 1.376 20 30 GDEDHN C#Cc1ccc(C(=O)N2C[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)[C@@H](C)C2)nc1 ZINC001573290521 946905734 /nfs/dbraw/zinc/90/57/34/946905734.db2.gz YJRAPLMVOGAQQL-LIRRHRJNSA-N 0 3 387.447 1.493 20 30 GDEDHN C#Cc1ccc(C(=O)N2C[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)[C@@H](C)C2)nc1 ZINC001573290521 946905746 /nfs/dbraw/zinc/90/57/46/946905746.db2.gz YJRAPLMVOGAQQL-LIRRHRJNSA-N 0 3 387.447 1.493 20 30 GDEDHN C#Cc1cncc(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)[C@H]2C)c1 ZINC001573292252 946930495 /nfs/dbraw/zinc/93/04/95/946930495.db2.gz QVAXOVCBWUHKSC-KUHUBIRLSA-N 0 3 387.447 1.636 20 30 GDEDHN C#Cc1cncc(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)[C@H]2C)c1 ZINC001573292252 946930500 /nfs/dbraw/zinc/93/05/00/946930500.db2.gz QVAXOVCBWUHKSC-KUHUBIRLSA-N 0 3 387.447 1.636 20 30 GDEDHN C#Cc1cncc(C(=O)NCCC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC001573292641 946935874 /nfs/dbraw/zinc/93/58/74/946935874.db2.gz YZWVIMJJKJQORO-UHFFFAOYSA-N 0 3 379.399 1.292 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC[C@]2(CC[N@H+](Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001573568095 947064835 /nfs/dbraw/zinc/06/48/35/947064835.db2.gz XRTIIELDNHNGCD-MGPUTAFESA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC[C@]2(CC[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001573568095 947064845 /nfs/dbraw/zinc/06/48/45/947064845.db2.gz XRTIIELDNHNGCD-MGPUTAFESA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573575670 947142035 /nfs/dbraw/zinc/14/20/35/947142035.db2.gz ZGOUDRRYPCHJDX-JZIBPQBNSA-N 0 3 383.431 1.777 20 30 GDEDHN C[C@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573575670 947142042 /nfs/dbraw/zinc/14/20/42/947142042.db2.gz ZGOUDRRYPCHJDX-JZIBPQBNSA-N 0 3 383.431 1.777 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N(CC[N@H+](C)Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC001573310228 947217783 /nfs/dbraw/zinc/21/77/83/947217783.db2.gz VJFOQIGEEJOXLT-HXUWFJFHSA-N 0 3 386.500 1.863 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N(CC[N@@H+](C)Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC001573310228 947217789 /nfs/dbraw/zinc/21/77/89/947217789.db2.gz VJFOQIGEEJOXLT-HXUWFJFHSA-N 0 3 386.500 1.863 20 30 GDEDHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC001574983964 950253382 /nfs/dbraw/zinc/25/33/82/950253382.db2.gz UCBMJKMYSOCKPV-LBPRGKRZSA-N 0 3 380.412 1.005 20 30 GDEDHN C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001575101189 951856288 /nfs/dbraw/zinc/85/62/88/951856288.db2.gz ATDDIXYXDAQCIN-NSHDSACASA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001575101189 951856294 /nfs/dbraw/zinc/85/62/94/951856294.db2.gz ATDDIXYXDAQCIN-NSHDSACASA-N 0 3 382.403 1.361 20 30 GDEDHN N#Cc1cc(C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)c[nH]1 ZINC001571119489 952492162 /nfs/dbraw/zinc/49/21/62/952492162.db2.gz CDZBKKHDOTZJLC-HNNXBMFYSA-N 0 3 376.424 1.461 20 30 GDEDHN N#Cc1cc(C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)c[nH]1 ZINC001571119489 952492165 /nfs/dbraw/zinc/49/21/65/952492165.db2.gz CDZBKKHDOTZJLC-HNNXBMFYSA-N 0 3 376.424 1.461 20 30 GDEDHN C=CCN1CCC(NC(=O)CNC(=O)c2ccc(Br)cc2)CC1 ZINC000185407600 530841455 /nfs/dbraw/zinc/84/14/55/530841455.db2.gz UPTNQJPOUKEWJX-UHFFFAOYSA-N 0 3 380.286 1.946 20 30 GDEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(C)c(Br)cn2)CC1 ZINC000193364539 530985018 /nfs/dbraw/zinc/98/50/18/530985018.db2.gz ADWLKYBFIXGUJM-UHFFFAOYSA-N 0 3 381.274 1.858 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(I)c1 ZINC000293217865 531409458 /nfs/dbraw/zinc/40/94/58/531409458.db2.gz BMNSUDDLUQJBLO-UHFFFAOYSA-N 0 3 399.232 1.301 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000588288967 531650873 /nfs/dbraw/zinc/65/08/73/531650873.db2.gz SFLXXGFZZREMNL-YPMHNXCESA-N 0 3 385.467 1.023 20 30 GDEDHN CN(CCNC[C@H](O)CC1(C#N)CCOCC1)S(=O)(=O)c1cccs1 ZINC000600726536 532052622 /nfs/dbraw/zinc/05/26/22/532052622.db2.gz HLDDRWLWKOTVMO-CQSZACIVSA-N 0 3 387.527 1.030 20 30 GDEDHN N#Cc1ccc(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc1Cl ZINC000608867360 532106054 /nfs/dbraw/zinc/10/60/54/532106054.db2.gz QEKGGHVEVAIJQN-ZDUSSCGKSA-N 0 3 384.889 1.077 20 30 GDEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCNS(=O)(=O)CC ZINC000427121155 532176385 /nfs/dbraw/zinc/17/63/85/532176385.db2.gz HHPBEWNPYYPHCP-UHFFFAOYSA-N 0 3 387.575 1.524 20 30 GDEDHN C=CCN(CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735416854 598914842 /nfs/dbraw/zinc/91/48/42/598914842.db2.gz RSNCXKYQWDCJFM-UHFFFAOYSA-N 0 3 397.527 1.844 20 30 GDEDHN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC000826073329 608019463 /nfs/dbraw/zinc/01/94/63/608019463.db2.gz OAMHBGXUQJANLX-NSHDSACASA-N 0 3 395.427 1.019 20 30 GDEDHN CN1CC[C@@H]2CN(S(=O)(=O)c3cc(Br)ccc3C#N)C[C@@H]2C1 ZINC000916661820 660198296 /nfs/dbraw/zinc/19/82/96/660198296.db2.gz GBRSDNGRPLSZHX-OLZOCXBDSA-N 0 3 384.299 1.893 20 30 GDEDHN CCN1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3ccsc3C#N)C2)[C@H]1C(C)C ZINC000920303902 660269857 /nfs/dbraw/zinc/26/98/57/660269857.db2.gz TXTKGKDZHCVAFN-BQGCOEIASA-N 0 3 383.539 1.768 20 30 GDEDHN N#Cc1cc(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)ccc1Br ZINC000590226350 652126441 /nfs/dbraw/zinc/12/64/41/652126441.db2.gz JMNCBANKDZUIFC-AWEZNQCLSA-N 0 3 391.269 1.860 20 30 GDEDHN N#CC(C(=O)CCSc1ccc(F)cc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000732909425 654493109 /nfs/dbraw/zinc/49/31/09/654493109.db2.gz BLKINJUANYBMFP-CQSZACIVSA-N 0 3 384.454 1.274 20 30 GDEDHN O=C(NCCNCc1cc2c(c(Br)c1)OCO2)C1N=CC=CC1=O ZINC000733333558 654506913 /nfs/dbraw/zinc/50/69/13/654506913.db2.gz QOQJBFUTUYNLLX-JQIJEIRASA-N 0 3 394.225 1.794 20 30 GDEDHN C[C@H](Oc1ccc(Cl)cc1)C(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000759495109 655086308 /nfs/dbraw/zinc/08/63/08/655086308.db2.gz KEZYMTCKWUEHHX-FZMZJTMJSA-N 0 3 384.841 1.073 20 30 GDEDHN C[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CCS1(=O)=O ZINC000759998873 655099421 /nfs/dbraw/zinc/09/94/21/655099421.db2.gz JLRNLSKXDSJQFE-STQMWFEESA-N 0 3 377.491 1.982 20 30 GDEDHN C=CCNC(=O)NC(=O)CN[C@@](C)(CO)Cc1ccc(Br)cc1 ZINC000933436864 657280647 /nfs/dbraw/zinc/28/06/47/657280647.db2.gz IOKYUCFFSVAOFN-MRXNPFEDSA-N 0 3 384.274 1.344 20 30 GDEDHN CNC(=O)CN1CCCC12CCN(c1nc(SC)nc(Cl)c1C#N)CC2 ZINC001164687316 719694222 /nfs/dbraw/zinc/69/42/22/719694222.db2.gz RVYMERCAFLQUOM-UHFFFAOYSA-N 0 3 394.932 1.904 20 30 GDEDHN C#CCN(C)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1C[C@H](C1CC1)[NH+](C)C ZINC001573282329 946691583 /nfs/dbraw/zinc/69/15/83/946691583.db2.gz IFUYZXZMLUSHNG-QGZVFWFLSA-N 0 3 391.483 1.535 20 30 GDEDHN C#CCN(C)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1C[C@H](C1CC1)[NH+](C)C ZINC001573282329 946691587 /nfs/dbraw/zinc/69/15/87/946691587.db2.gz IFUYZXZMLUSHNG-QGZVFWFLSA-N 0 3 391.483 1.535 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573285191 946770521 /nfs/dbraw/zinc/77/05/21/946770521.db2.gz DYEVJCNTWALOTM-HOTGVXAUSA-N 0 3 382.468 1.185 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573285191 946770536 /nfs/dbraw/zinc/77/05/36/946770536.db2.gz DYEVJCNTWALOTM-HOTGVXAUSA-N 0 3 382.468 1.185 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573285191 946770545 /nfs/dbraw/zinc/77/05/45/946770545.db2.gz DYEVJCNTWALOTM-HOTGVXAUSA-N 0 3 382.468 1.185 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573285191 946770560 /nfs/dbraw/zinc/77/05/60/946770560.db2.gz DYEVJCNTWALOTM-HOTGVXAUSA-N 0 3 382.468 1.185 20 30 GDEDHN C#Cc1cncc(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001573291972 946926062 /nfs/dbraw/zinc/92/60/62/946926062.db2.gz MEWGWMWAUYFHDH-IBGZPJMESA-N 0 3 387.447 1.637 20 30 GDEDHN C#Cc1cncc(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573291972 946926069 /nfs/dbraw/zinc/92/60/69/946926069.db2.gz MEWGWMWAUYFHDH-IBGZPJMESA-N 0 3 387.447 1.637 20 30 GDEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573295959 947033892 /nfs/dbraw/zinc/03/38/92/947033892.db2.gz WUFFWCARHGCCIF-JLSDUUJJSA-N 0 3 384.484 1.690 20 30 GDEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573295959 947033906 /nfs/dbraw/zinc/03/39/06/947033906.db2.gz WUFFWCARHGCCIF-JLSDUUJJSA-N 0 3 384.484 1.690 20 30 GDEDHN C=C1CC(C)(C(=O)N(C)C[C@H](O)C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573298789 947083250 /nfs/dbraw/zinc/08/32/50/947083250.db2.gz RYSJTECULQSZNT-OAHLLOKOSA-N 0 3 388.447 1.271 20 30 GDEDHN C=C1CC(C)(C(=O)N(C)C[C@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573298789 947083261 /nfs/dbraw/zinc/08/32/61/947083261.db2.gz RYSJTECULQSZNT-OAHLLOKOSA-N 0 3 388.447 1.271 20 30 GDEDHN C[C@H](C#N)C(=O)N[C@H]1CC12CC[NH+](Cc1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC001573575340 947136436 /nfs/dbraw/zinc/13/64/36/947136436.db2.gz XILRVQPCFZVHFM-WBMJQRKESA-N 0 3 383.431 1.636 20 30 GDEDHN C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001573585413 947254586 /nfs/dbraw/zinc/25/45/86/947254586.db2.gz FRVYNYLRWAPCQJ-XEZPLFJOSA-N 0 3 385.447 1.930 20 30 GDEDHN C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001573585413 947254606 /nfs/dbraw/zinc/25/46/06/947254606.db2.gz FRVYNYLRWAPCQJ-XEZPLFJOSA-N 0 3 385.447 1.930 20 30 GDEDHN C=CCOCC(=O)NCC1(C)CC[NH+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573342882 947547291 /nfs/dbraw/zinc/54/72/91/947547291.db2.gz FVZGBTKFTVSMLK-UHFFFAOYSA-N 0 3 384.484 1.788 20 30 GDEDHN C=CCOCC(=O)NCC1(C)CC[NH+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573342882 947547302 /nfs/dbraw/zinc/54/73/02/947547302.db2.gz FVZGBTKFTVSMLK-UHFFFAOYSA-N 0 3 384.484 1.788 20 30 GDEDHN C=CCOCCCC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C[C@H]1C ZINC001573348114 947579548 /nfs/dbraw/zinc/57/95/48/947579548.db2.gz MHZOQXWYAPIVMQ-CRAIPNDOSA-N 0 3 384.484 1.929 20 30 GDEDHN C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575908549 950368986 /nfs/dbraw/zinc/36/89/86/950368986.db2.gz UYIPQVSLCYOHGM-LRDDRELGSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575908549 950369011 /nfs/dbraw/zinc/36/90/11/950369011.db2.gz UYIPQVSLCYOHGM-LRDDRELGSA-N 0 3 376.424 1.459 20 30 GDEDHN N#Cc1cc(C(=O)NC2CC(C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)c[nH]1 ZINC001571120012 952497424 /nfs/dbraw/zinc/49/74/24/952497424.db2.gz HZBVVTRLNCDSGN-UHFFFAOYSA-N 0 3 376.424 1.365 20 30 GDEDHN N#Cc1cc(C(=O)NC2CC(C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)c[nH]1 ZINC001571120012 952497426 /nfs/dbraw/zinc/49/74/26/952497426.db2.gz HZBVVTRLNCDSGN-UHFFFAOYSA-N 0 3 376.424 1.365 20 30 GDEDHN N#Cc1cc(C(=O)N2CCC([NH2+]Cc3ccccc3-c3nnn[n-]3)CC2)c[nH]1 ZINC001571120889 952510039 /nfs/dbraw/zinc/51/00/39/952510039.db2.gz SMCOHUXACSNTEO-UHFFFAOYSA-N 0 3 376.424 1.461 20 30 GDEDHN N#Cc1cc(C(=O)N2CCC([NH2+]Cc3ccccc3-c3nn[n-]n3)CC2)c[nH]1 ZINC001571120889 952510041 /nfs/dbraw/zinc/51/00/41/952510041.db2.gz SMCOHUXACSNTEO-UHFFFAOYSA-N 0 3 376.424 1.461 20 30 GDEDHN N#Cc1c[nH]c(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)c1 ZINC001571155078 952692352 /nfs/dbraw/zinc/69/23/52/952692352.db2.gz GZRBZLRYRWHAAZ-CYBMUJFWSA-N 0 3 380.387 1.210 20 30 GDEDHN N#Cc1c[nH]c(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)c1 ZINC001571155078 952692354 /nfs/dbraw/zinc/69/23/54/952692354.db2.gz GZRBZLRYRWHAAZ-CYBMUJFWSA-N 0 3 380.387 1.210 20 30 GDEDHN C=CCN1CCC(NC(=O)CNC(=O)c2cccc(Br)c2)CC1 ZINC000171566172 530600654 /nfs/dbraw/zinc/60/06/54/530600654.db2.gz LAJDPXUZHKWFQY-UHFFFAOYSA-N 0 3 380.286 1.946 20 30 GDEDHN C[C@H](Sc1nnnn1CCN(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000125871451 531011872 /nfs/dbraw/zinc/01/18/72/531011872.db2.gz WESAEEIEBRGULF-JTQLQIEISA-N 0 3 379.877 1.879 20 30 GDEDHN C[C@@H](Sc1nnnn1CCN(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000125871704 531011879 /nfs/dbraw/zinc/01/18/79/531011879.db2.gz WESAEEIEBRGULF-SNVBAGLBSA-N 0 3 379.877 1.879 20 30 GDEDHN COCCN1CCC(NC(=O)COc2cccc(Br)c2C#N)CC1 ZINC000449801782 531477642 /nfs/dbraw/zinc/47/76/42/531477642.db2.gz FRFFUZLOACUSHO-UHFFFAOYSA-N 0 3 396.285 1.927 20 30 GDEDHN COCCN1CCC[C@H]1CNC(=O)COc1cccc(Br)c1C#N ZINC000449845006 531478164 /nfs/dbraw/zinc/47/81/64/531478164.db2.gz YFPFRQCXQFFVFL-ZDUSSCGKSA-N 0 3 396.285 1.927 20 30 GDEDHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC(C#N)(COC)CC1 ZINC000451520568 531630777 /nfs/dbraw/zinc/63/07/77/531630777.db2.gz WKHPCNSEPUOUHW-NSHDSACASA-N 0 3 386.392 1.452 20 30 GDEDHN C=CCNC(=O)NC(=O)C(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000561524900 531705289 /nfs/dbraw/zinc/70/52/89/531705289.db2.gz BGSURPSJBLIELZ-VIFPVBQESA-N 0 3 375.244 1.623 20 30 GDEDHN CN(C)CCNC(=O)[C@H](Cc1ccccc1)Nc1nc(C#N)c(Cl)s1 ZINC000596174498 531910821 /nfs/dbraw/zinc/91/08/21/531910821.db2.gz CFLGGNHYOZJURF-ZDUSSCGKSA-N 0 3 377.901 2.369 20 30 GDEDHN CN(C)C[C@]1(O)CCCN(C(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000597587561 531948264 /nfs/dbraw/zinc/94/82/64/531948264.db2.gz YMSMSLCPMMMEHE-QGZVFWFLSA-N 0 3 396.285 1.615 20 30 GDEDHN CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000736308455 598876777 /nfs/dbraw/zinc/87/67/77/598876777.db2.gz DMMLPTHXXYJNEC-LSDHHAIUSA-N 0 3 393.455 1.576 20 30 GDEDHN CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000736308455 598876779 /nfs/dbraw/zinc/87/67/79/598876779.db2.gz DMMLPTHXXYJNEC-LSDHHAIUSA-N 0 3 393.455 1.576 20 30 GDEDHN C#CCN1CCC(C(=O)NCCNC(=O)c2ccc(Br)cc2)CC1 ZINC000066921750 644550104 /nfs/dbraw/zinc/55/01/04/644550104.db2.gz BBTRCHJNAVGZDZ-UHFFFAOYSA-N 0 3 392.297 1.640 20 30 GDEDHN CN(C)CCN(C1CCN(C)CC1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000331279751 645490681 /nfs/dbraw/zinc/49/06/81/645490681.db2.gz KFWDCLLSGJTUDM-UHFFFAOYSA-N 0 3 384.933 1.858 20 30 GDEDHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419736009 645928674 /nfs/dbraw/zinc/92/86/74/645928674.db2.gz WQWAJIIBEKSAEB-UHFFFAOYSA-N 0 3 379.258 1.812 20 30 GDEDHN N#Cc1ccc(OCC(=O)N[C@H](CO)CN2CCCC2)cc1Br ZINC000603052821 652673496 /nfs/dbraw/zinc/67/34/96/652673496.db2.gz MZBJKXGGSCPMEI-ZDUSSCGKSA-N 0 3 382.258 1.272 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1C ZINC000824552890 655477365 /nfs/dbraw/zinc/47/73/65/655477365.db2.gz YYYIYWMIMOTSQG-UHFFFAOYSA-N 0 3 391.269 1.639 20 30 GDEDHN C=CCN1CCC(NC(=O)Cc2csc(S[C@@H](CC)C(N)=O)n2)CC1 ZINC000878750331 656746117 /nfs/dbraw/zinc/74/61/17/656746117.db2.gz AVJANGXRKDSXFI-AWEZNQCLSA-N 0 3 382.555 1.808 20 30 GDEDHN C#CCN(C(=O)C(=O)N[C@@H]1CC[C@H]2SCCS[C@@H]12)C1CCN(C)CC1 ZINC000930561047 657034351 /nfs/dbraw/zinc/03/43/51/657034351.db2.gz SYWKHRJKEVTLNA-OAGGEKHMSA-N 0 3 381.567 1.038 20 30 GDEDHN C#CCN(C(=O)C(=O)NCc1ccc(Br)cn1)C1CCN(C)CC1 ZINC000931150925 657074223 /nfs/dbraw/zinc/07/42/23/657074223.db2.gz KUQWPQNEFDIRSQ-UHFFFAOYSA-N 0 3 393.285 1.016 20 30 GDEDHN COCCCNC(=O)C(C#N)C(=O)Cc1sc(CC(F)(F)F)nc1C ZINC000892462612 658328519 /nfs/dbraw/zinc/32/85/19/658328519.db2.gz UEIAQMJAROQHIZ-SNVBAGLBSA-N 0 3 377.388 1.960 20 30 GDEDHN C=CCNC(=O)c1cccnc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164878408 721143033 /nfs/dbraw/zinc/14/30/33/721143033.db2.gz QAQHWLMXPNJETG-RTBURBONSA-N 0 3 393.491 1.872 20 30 GDEDHN N#Cc1cccc(C[NH2+]C[C@@H]2CCCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC001571299000 946235472 /nfs/dbraw/zinc/23/54/72/946235472.db2.gz NCORGAWDNWXYGL-KRWDZBQOSA-N 0 3 390.451 1.851 20 30 GDEDHN N#Cc1cccc(C[NH2+]C[C@@H]2CCCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC001571299000 946235480 /nfs/dbraw/zinc/23/54/80/946235480.db2.gz NCORGAWDNWXYGL-KRWDZBQOSA-N 0 3 390.451 1.851 20 30 GDEDHN C#CCOCCC(=O)N1C[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1C ZINC001573287599 946840773 /nfs/dbraw/zinc/84/07/73/946840773.db2.gz NWWUHFPHCOFEPO-CZUORRHYSA-N 0 3 386.431 1.125 20 30 GDEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573287639 946844185 /nfs/dbraw/zinc/84/41/85/946844185.db2.gz ORQJTBPBFKGKGS-KGLIPLIRSA-N 0 3 388.447 1.371 20 30 GDEDHN C#CCO[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573287639 946844198 /nfs/dbraw/zinc/84/41/98/946844198.db2.gz ORQJTBPBFKGKGS-KGLIPLIRSA-N 0 3 388.447 1.371 20 30 GDEDHN C#Cc1ccc(C(=O)N(C)CCC[NH2+]Cc2ccccc2-c2nnn[n-]2)cn1 ZINC001573288059 946856678 /nfs/dbraw/zinc/85/66/78/946856678.db2.gz HVUNLUGNHBHWQP-UHFFFAOYSA-N 0 3 375.436 1.495 20 30 GDEDHN C#Cc1ccc(C(=O)N(C)CCC[NH2+]Cc2ccccc2-c2nn[n-]n2)cn1 ZINC001573288059 946856682 /nfs/dbraw/zinc/85/66/82/946856682.db2.gz HVUNLUGNHBHWQP-UHFFFAOYSA-N 0 3 375.436 1.495 20 30 GDEDHN C#Cc1cncc(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001573292082 946929357 /nfs/dbraw/zinc/92/93/57/946929357.db2.gz OIXQHXXEFWCGKX-ZIAGYGMSSA-N 0 3 375.436 1.540 20 30 GDEDHN C#Cc1cncc(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573292082 946929365 /nfs/dbraw/zinc/92/93/65/946929365.db2.gz OIXQHXXEFWCGKX-ZIAGYGMSSA-N 0 3 375.436 1.540 20 30 GDEDHN C=C(C)CC[NH2+]CCCOC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573293694 946964840 /nfs/dbraw/zinc/96/48/40/946964840.db2.gz GOCRUUNHVJVHNT-UHFFFAOYSA-N 0 3 387.488 1.762 20 30 GDEDHN C=C(C)CC[NH2+]CCCOC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573293694 946964847 /nfs/dbraw/zinc/96/48/47/946964847.db2.gz GOCRUUNHVJVHNT-UHFFFAOYSA-N 0 3 387.488 1.762 20 30 GDEDHN C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1c1cnn(C)c1 ZINC001573293715 946964858 /nfs/dbraw/zinc/96/48/58/946964858.db2.gz HSUKTQBZANAOHZ-WMLDXEAASA-N 0 3 395.471 1.092 20 30 GDEDHN C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1c1cnn(C)c1 ZINC001573293715 946964865 /nfs/dbraw/zinc/96/48/65/946964865.db2.gz HSUKTQBZANAOHZ-WMLDXEAASA-N 0 3 395.471 1.092 20 30 GDEDHN C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1C(F)(F)F ZINC001573294259 946983848 /nfs/dbraw/zinc/98/38/48/946983848.db2.gz ZXRPSUJOIWXISO-VXGBXAGGSA-N 0 3 383.378 1.611 20 30 GDEDHN C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C(F)(F)F ZINC001573294259 946983853 /nfs/dbraw/zinc/98/38/53/946983853.db2.gz ZXRPSUJOIWXISO-VXGBXAGGSA-N 0 3 383.378 1.611 20 30 GDEDHN C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21 ZINC001573294801 946998688 /nfs/dbraw/zinc/99/86/88/946998688.db2.gz HHHJINXMZBWAEW-YNEHKIRRSA-N 0 3 375.864 1.778 20 30 GDEDHN C=C1CC(C)(C(=O)N(C)CCOCC[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573298577 947076683 /nfs/dbraw/zinc/07/66/83/947076683.db2.gz QACYXPBNKZTWEB-UHFFFAOYSA-N 0 3 384.484 1.788 20 30 GDEDHN C=C1CC(C)(C(=O)N(C)CCOCC[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573298577 947076692 /nfs/dbraw/zinc/07/66/92/947076692.db2.gz QACYXPBNKZTWEB-UHFFFAOYSA-N 0 3 384.484 1.788 20 30 GDEDHN C[C@H](C#N)C(=O)N1C[C@H]2C[N@H+](Cc3ccc(F)c(-c4nnn[n-]4)c3)C[C@@]2(C)C1 ZINC001573569779 947076818 /nfs/dbraw/zinc/07/68/18/947076818.db2.gz FHOIGTALLCLBDT-TVZGQMOCSA-N 0 3 383.431 1.446 20 30 GDEDHN C[C@H](C#N)C(=O)N1C[C@H]2C[N@@H+](Cc3ccc(F)c(-c4nnn[n-]4)c3)C[C@@]2(C)C1 ZINC001573569779 947076827 /nfs/dbraw/zinc/07/68/27/947076827.db2.gz FHOIGTALLCLBDT-TVZGQMOCSA-N 0 3 383.431 1.446 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573571112 947100636 /nfs/dbraw/zinc/10/06/36/947100636.db2.gz ZHPLBHJAIPFLSI-IPYPFGDCSA-N 0 3 385.447 1.882 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573309994 947212889 /nfs/dbraw/zinc/21/28/89/947212889.db2.gz QUSPIRXGOPGPIG-JXFKEZNVSA-N 0 3 384.484 1.617 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573309994 947212894 /nfs/dbraw/zinc/21/28/94/947212894.db2.gz QUSPIRXGOPGPIG-JXFKEZNVSA-N 0 3 384.484 1.617 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573309994 947212902 /nfs/dbraw/zinc/21/29/02/947212902.db2.gz QUSPIRXGOPGPIG-JXFKEZNVSA-N 0 3 384.484 1.617 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573309994 947212906 /nfs/dbraw/zinc/21/29/06/947212906.db2.gz QUSPIRXGOPGPIG-JXFKEZNVSA-N 0 3 384.484 1.617 20 30 GDEDHN C=CCCC(=O)N1CCO[C@@H]([C@H](C)[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573328710 947411487 /nfs/dbraw/zinc/41/14/87/947411487.db2.gz AFKNPDBHMAPJOP-SUMWQHHRSA-N 0 3 388.447 1.678 20 30 GDEDHN C=CCCC(=O)N1CCO[C@@H]([C@H](C)[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573328710 947411493 /nfs/dbraw/zinc/41/14/93/947411493.db2.gz AFKNPDBHMAPJOP-SUMWQHHRSA-N 0 3 388.447 1.678 20 30 GDEDHN C=CCCCC(=O)N(C)CCN1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001573334280 947450981 /nfs/dbraw/zinc/45/09/81/947450981.db2.gz LNSATQBKWNHCKP-UHFFFAOYSA-N 0 3 384.488 1.198 20 30 GDEDHN C=CCCOCC(=O)N1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573336175 947504245 /nfs/dbraw/zinc/50/42/45/947504245.db2.gz KIFPNZNOJCMCIB-INIZCTEOSA-N 0 3 388.447 1.679 20 30 GDEDHN C=CCCOCC(=O)N1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573336175 947504253 /nfs/dbraw/zinc/50/42/53/947504253.db2.gz KIFPNZNOJCMCIB-INIZCTEOSA-N 0 3 388.447 1.679 20 30 GDEDHN C=CCCOCC(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573336705 947508365 /nfs/dbraw/zinc/50/83/65/947508365.db2.gz QJVUTVBPRVOKSI-SFHVURJKSA-N 0 3 384.484 1.930 20 30 GDEDHN C=CCCOCC(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573336705 947508373 /nfs/dbraw/zinc/50/83/73/947508373.db2.gz QJVUTVBPRVOKSI-SFHVURJKSA-N 0 3 384.484 1.930 20 30 GDEDHN C=CCOCC[NH+]1CCC(C2(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CC1 ZINC001573349165 947591052 /nfs/dbraw/zinc/59/10/52/947591052.db2.gz ZNNOYQUQEWAXNX-UHFFFAOYSA-N 0 3 385.472 1.372 20 30 GDEDHN C=CCOCC[NH+]1CCC(C2(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CC1 ZINC001573349165 947591059 /nfs/dbraw/zinc/59/10/59/947591059.db2.gz ZNNOYQUQEWAXNX-UHFFFAOYSA-N 0 3 385.472 1.372 20 30 GDEDHN C[C@H]1[C@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575905423 950293486 /nfs/dbraw/zinc/29/34/86/950293486.db2.gz CJSIMSNERYOXOT-BLLLJJGKSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574746730 950395311 /nfs/dbraw/zinc/39/53/11/950395311.db2.gz OPXMRMMMPVFRBB-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)c1ccc(C#N)[nH]1 ZINC001575091647 951780775 /nfs/dbraw/zinc/78/07/75/951780775.db2.gz TYCYKYQXUWZBDG-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@@H](O)CN1CCC(CN(C)S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000161462478 530560930 /nfs/dbraw/zinc/56/09/30/530560930.db2.gz OGILVXOIEPLVNG-CYBMUJFWSA-N 0 3 385.917 1.925 20 30 GDEDHN N#Cc1ccc(Cl)c(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)c1 ZINC000475762596 531303096 /nfs/dbraw/zinc/30/30/96/531303096.db2.gz ZOIGWQDRPASQHH-ZDUSSCGKSA-N 0 3 384.889 1.077 20 30 GDEDHN C#CCN(C)CCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C)s1 ZINC000294075608 531461408 /nfs/dbraw/zinc/46/14/08/531461408.db2.gz WHAZYATXYQHBER-OAHLLOKOSA-N 0 3 383.539 1.281 20 30 GDEDHN CN(C)CCN1C[C@H](C(=O)N[C@H](C#N)c2ccccc2Br)CC1=O ZINC000610429124 531500849 /nfs/dbraw/zinc/50/08/49/531500849.db2.gz VFDVZMJWLKJUEI-IUODEOHRSA-N 0 3 393.285 1.540 20 30 GDEDHN CNS(=O)(=O)C[C@@H]1CCCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000494751629 531620929 /nfs/dbraw/zinc/62/09/29/531620929.db2.gz GTNAIVRBCTYFHF-AWEZNQCLSA-N 0 3 384.889 1.554 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000588288965 531652136 /nfs/dbraw/zinc/65/21/36/531652136.db2.gz SFLXXGFZZREMNL-DGCLKSJQSA-N 0 3 385.467 1.023 20 30 GDEDHN CC(C)OC(=O)CNC(=O)C(C)S(=O)(=O)Cc1ccc(C#N)cc1Cl ZINC000593210848 531822267 /nfs/dbraw/zinc/82/22/67/531822267.db2.gz UGHZTOWYKWXVPT-LLVKDONJSA-N 0 3 386.857 1.583 20 30 GDEDHN Cc1c(NC(=O)C(=O)N2C[C@H]3CCN(C)[C@H]3C2)ccc(Br)c1C#N ZINC000571996044 531955712 /nfs/dbraw/zinc/95/57/12/531955712.db2.gz JXOHSCRYCJYIQC-ABAIWWIYSA-N 0 3 391.269 1.730 20 30 GDEDHN N#CC1(C[C@@H](O)C[NH2+]CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000600742439 532052450 /nfs/dbraw/zinc/05/24/50/532052450.db2.gz WDWDMLKSXAMKHI-LLVKDONJSA-N 0 3 392.308 1.916 20 30 GDEDHN N#Cc1cccc(S(=O)(=O)CCNCCn2cc(Br)cn2)c1 ZINC000389982433 532296912 /nfs/dbraw/zinc/29/69/12/532296912.db2.gz KZTVQANYLATUQT-UHFFFAOYSA-N 0 3 383.271 1.581 20 30 GDEDHN CN(CC(=O)C(C#N)C(=O)NC1CC1)C(=O)c1ccc(Br)s1 ZINC000129622245 644735365 /nfs/dbraw/zinc/73/53/65/644735365.db2.gz BIZFFRIGNBCZHI-SECBINFHSA-N 0 3 384.255 1.570 20 30 GDEDHN N#Cc1ccc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1Br ZINC000574824271 651572646 /nfs/dbraw/zinc/57/26/46/651572646.db2.gz UJLDMLQJCQHIDN-WCQYABFASA-N 0 3 378.230 1.096 20 30 GDEDHN CN(C(=O)[C@H](N)CCCCC#N)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000594445866 652286130 /nfs/dbraw/zinc/28/61/30/652286130.db2.gz LQWHCBUJWCARFP-ZIAGYGMSSA-N 0 3 381.274 1.845 20 30 GDEDHN N#Cc1cc(Br)ccc1CC(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000599939032 652519033 /nfs/dbraw/zinc/51/90/33/652519033.db2.gz FVAAJYIAQOHPBB-CVEARBPZSA-N 0 3 378.270 1.531 20 30 GDEDHN COCCNC(=O)C(C#N)C(=O)CSc1nnc(-c2cccs2)n1C ZINC000726858042 654859276 /nfs/dbraw/zinc/85/92/76/654859276.db2.gz DUIKTFWJQGRVIH-SNVBAGLBSA-N 0 3 379.467 1.107 20 30 GDEDHN C#CCNC(=O)CCNCc1ccc(Br)cc1N1CCOCC1 ZINC000788963666 655010083 /nfs/dbraw/zinc/01/00/83/655010083.db2.gz HBQDSYAKGPRXIP-UHFFFAOYSA-N 0 3 380.286 1.515 20 30 GDEDHN CS(=O)(=O)C[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000795099280 655160907 /nfs/dbraw/zinc/16/09/07/655160907.db2.gz MIOMMDFQUXXCDP-QWHCGFSZSA-N 0 3 377.491 1.839 20 30 GDEDHN C#CCN(C)CCCNC(=O)c1cccn2c(I)cnc12 ZINC000818593102 655376926 /nfs/dbraw/zinc/37/69/26/655376926.db2.gz MFKUGGSSGOBWNT-UHFFFAOYSA-N 0 3 396.232 1.624 20 30 GDEDHN C#CCN(C(=O)C(=O)NCc1ncc(Br)s1)C1CCN(C)CC1 ZINC000931164509 657075256 /nfs/dbraw/zinc/07/52/56/657075256.db2.gz QXBQGNLNWHKZLF-UHFFFAOYSA-N 0 3 399.314 1.078 20 30 GDEDHN C[C@@](CO)(Cc1ccc(Br)cc1)NCC(=O)NC1(C#N)CCC1 ZINC000933442120 657281543 /nfs/dbraw/zinc/28/15/43/657281543.db2.gz RIRRYJKDNOOXAB-INIZCTEOSA-N 0 3 380.286 1.895 20 30 GDEDHN C#CCN(C(=O)c1c(I)cnn1C)C1CCN(C)CC1 ZINC000886575878 657676768 /nfs/dbraw/zinc/67/67/68/657676768.db2.gz NOPKYSDBZRMOHM-UHFFFAOYSA-N 0 3 386.237 1.194 20 30 GDEDHN CN1C[C@@H]2CN(S(=O)(=O)c3cccc(Br)c3C#N)C[C@]2(C)C1 ZINC000907565253 659785008 /nfs/dbraw/zinc/78/50/08/659785008.db2.gz TZNPZTAQLMVFHB-ABAIWWIYSA-N 0 3 384.299 1.893 20 30 GDEDHN N#Cc1cccc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC001571298123 946207010 /nfs/dbraw/zinc/20/70/10/946207010.db2.gz AFAMVKXFPVBYAX-HZPDHXFCSA-N 0 3 390.451 1.755 20 30 GDEDHN N#Cc1cccc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC001571298123 946207016 /nfs/dbraw/zinc/20/70/16/946207016.db2.gz AFAMVKXFPVBYAX-HZPDHXFCSA-N 0 3 390.451 1.755 20 30 GDEDHN N#Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)[nH]1 ZINC001571298585 946220768 /nfs/dbraw/zinc/22/07/68/946220768.db2.gz HGQUVUOREXIMTJ-DOTOQJQBSA-N 0 3 390.451 1.755 20 30 GDEDHN N#Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)[nH]1 ZINC001571298585 946220781 /nfs/dbraw/zinc/22/07/81/946220781.db2.gz HGQUVUOREXIMTJ-DOTOQJQBSA-N 0 3 390.451 1.755 20 30 GDEDHN C#CCCCC(=O)NC1CC(C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2OC)C1 ZINC001573285188 946771732 /nfs/dbraw/zinc/77/17/32/946771732.db2.gz UHDIUXNEHDIBTK-UHFFFAOYSA-N 0 3 382.468 1.663 20 30 GDEDHN C#CCCCC(=O)NC1CC(C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2OC)C1 ZINC001573285188 946771737 /nfs/dbraw/zinc/77/17/37/946771737.db2.gz UHDIUXNEHDIBTK-UHFFFAOYSA-N 0 3 382.468 1.663 20 30 GDEDHN C#CCOCCC(=O)N1C[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C[C@H]1C ZINC001573287597 946841646 /nfs/dbraw/zinc/84/16/46/946841646.db2.gz NWWUHFPHCOFEPO-CJNGLKHVSA-N 0 3 386.431 1.125 20 30 GDEDHN C#Cc1cncc(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)[C@H]2C)c1 ZINC001573292250 946930837 /nfs/dbraw/zinc/93/08/37/946930837.db2.gz QVAXOVCBWUHKSC-AUUYWEPGSA-N 0 3 387.447 1.636 20 30 GDEDHN C#Cc1cncc(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)[C@H]2C)c1 ZINC001573292250 946930843 /nfs/dbraw/zinc/93/08/43/946930843.db2.gz QVAXOVCBWUHKSC-AUUYWEPGSA-N 0 3 387.447 1.636 20 30 GDEDHN C=C(Br)C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573292798 946940736 /nfs/dbraw/zinc/94/07/36/946940736.db2.gz CKQFQUDAEOZEBE-JTQLQIEISA-N 0 3 380.250 1.155 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573565397 947008569 /nfs/dbraw/zinc/00/85/69/947008569.db2.gz QSODJLDYMKWPEN-CHWSQXEVSA-N 0 3 385.447 1.882 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001573565397 947008580 /nfs/dbraw/zinc/00/85/80/947008580.db2.gz QSODJLDYMKWPEN-CHWSQXEVSA-N 0 3 385.447 1.882 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573567942 947060244 /nfs/dbraw/zinc/06/02/44/947060244.db2.gz VDVZHIOJONVWEV-UKRRQHHQSA-N 0 3 385.447 1.836 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573567942 947060254 /nfs/dbraw/zinc/06/02/54/947060254.db2.gz VDVZHIOJONVWEV-UKRRQHHQSA-N 0 3 385.447 1.836 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573567942 947060266 /nfs/dbraw/zinc/06/02/66/947060266.db2.gz VDVZHIOJONVWEV-UKRRQHHQSA-N 0 3 385.447 1.836 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573567942 947060275 /nfs/dbraw/zinc/06/02/75/947060275.db2.gz VDVZHIOJONVWEV-UKRRQHHQSA-N 0 3 385.447 1.836 20 30 GDEDHN C[C@H](C#N)C(=O)N1C[C@]2(C)C[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@]2(C)C1 ZINC001573570877 947098037 /nfs/dbraw/zinc/09/80/37/947098037.db2.gz WBDYBOSFUONWJH-XMCHAPAWSA-N 0 3 379.468 1.697 20 30 GDEDHN C[C@H](C#N)C(=O)N1C[C@]2(C)C[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@]2(C)C1 ZINC001573570877 947098049 /nfs/dbraw/zinc/09/80/49/947098049.db2.gz WBDYBOSFUONWJH-XMCHAPAWSA-N 0 3 379.468 1.697 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CCC([NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC001573310061 947216376 /nfs/dbraw/zinc/21/63/76/947216376.db2.gz SBDUXYUNWBEULF-IBGZPJMESA-N 0 3 388.447 1.414 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CCC([NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001573310061 947216388 /nfs/dbraw/zinc/21/63/88/947216388.db2.gz SBDUXYUNWBEULF-IBGZPJMESA-N 0 3 388.447 1.414 20 30 GDEDHN C[C@@H](NC(=O)[C@@H](C)C#N)C1CC[NH+](Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573585797 947267836 /nfs/dbraw/zinc/26/78/36/947267836.db2.gz WRTJHVIKPXVLNC-QWHCGFSZSA-N 0 3 385.447 1.882 20 30 GDEDHN C=CCCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573335626 947485093 /nfs/dbraw/zinc/48/50/93/947485093.db2.gz BVICSGGJGTYRIR-ZFWWWQNUSA-N 0 3 388.447 1.678 20 30 GDEDHN C=CCCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573335626 947485102 /nfs/dbraw/zinc/48/51/02/947485102.db2.gz BVICSGGJGTYRIR-ZFWWWQNUSA-N 0 3 388.447 1.678 20 30 GDEDHN C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573335845 947490106 /nfs/dbraw/zinc/49/01/06/947490106.db2.gz FHXOJPWNFRKKIT-QEJZJMRPSA-N 0 3 388.447 1.724 20 30 GDEDHN C=CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573335845 947490113 /nfs/dbraw/zinc/49/01/13/947490113.db2.gz FHXOJPWNFRKKIT-QEJZJMRPSA-N 0 3 388.447 1.724 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573350609 947599178 /nfs/dbraw/zinc/59/91/78/947599178.db2.gz HJAFLNCUTZBSSL-QRQLOZEOSA-N 0 3 396.495 1.881 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573350609 947599181 /nfs/dbraw/zinc/59/91/81/947599181.db2.gz HJAFLNCUTZBSSL-QRQLOZEOSA-N 0 3 396.495 1.881 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573350609 947599184 /nfs/dbraw/zinc/59/91/84/947599184.db2.gz HJAFLNCUTZBSSL-QRQLOZEOSA-N 0 3 396.495 1.881 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573350609 947599188 /nfs/dbraw/zinc/59/91/88/947599188.db2.gz HJAFLNCUTZBSSL-QRQLOZEOSA-N 0 3 396.495 1.881 20 30 GDEDHN C[C@H]1[C@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575907369 950328702 /nfs/dbraw/zinc/32/87/02/950328702.db2.gz NQTWMZFMEKSVLY-GXFFZTMASA-N 0 3 382.453 1.521 20 30 GDEDHN C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574746818 950400325 /nfs/dbraw/zinc/40/03/25/950400325.db2.gz PUZDZZCTOYZMJB-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574746818 950400348 /nfs/dbraw/zinc/40/03/48/950400348.db2.gz PUZDZZCTOYZMJB-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101732 951864046 /nfs/dbraw/zinc/86/40/46/951864046.db2.gz IYTJNJMFXAVVEX-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101732 951864056 /nfs/dbraw/zinc/86/40/56/951864056.db2.gz IYTJNJMFXAVVEX-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN N#Cc1ccc(C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)[nH]1 ZINC001571121377 952520292 /nfs/dbraw/zinc/52/02/92/952520292.db2.gz ZWMXBWDFFSCIMR-MRXNPFEDSA-N 0 3 376.424 1.461 20 30 GDEDHN N#Cc1ccc(C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)[nH]1 ZINC001571121377 952520294 /nfs/dbraw/zinc/52/02/94/952520294.db2.gz ZWMXBWDFFSCIMR-MRXNPFEDSA-N 0 3 376.424 1.461 20 30 GDEDHN N#CC(CCc1ccccc1)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000433348168 531221697 /nfs/dbraw/zinc/22/16/97/531221697.db2.gz SQTHBDJEBRZHQM-MRXNPFEDSA-N 0 3 381.523 1.254 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(F)c(Br)cc1C ZINC000293510386 531425630 /nfs/dbraw/zinc/42/56/30/531425630.db2.gz XZAQOTRYRTVAIY-UHFFFAOYSA-N 0 3 384.249 1.906 20 30 GDEDHN C[C@H](CO)N1CCCN(C(=O)COc2cccc(Br)c2C#N)CC1 ZINC000451080277 531542096 /nfs/dbraw/zinc/54/20/96/531542096.db2.gz BNJQPYZEYIWBCK-CYBMUJFWSA-N 0 3 396.285 1.615 20 30 GDEDHN N#Cc1ccccc1OC[C@@H](O)CNCCn1cc(Br)ccc1=O ZINC000600740547 532053630 /nfs/dbraw/zinc/05/36/30/532053630.db2.gz WDTSZOVVPPLFHT-HNNXBMFYSA-N 0 3 392.253 1.512 20 30 GDEDHN N#Cc1cc(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)ccc1Cl ZINC000608866931 532106145 /nfs/dbraw/zinc/10/61/45/532106145.db2.gz BQNDTQQQONQPMM-GFCCVEGCSA-N 0 3 384.889 1.077 20 30 GDEDHN N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)cc1Br ZINC000376688887 532224366 /nfs/dbraw/zinc/22/43/66/532224366.db2.gz QNKPGBPHBALWRR-CQSZACIVSA-N 0 3 391.269 1.956 20 30 GDEDHN C=CC[NH+]1CCC(NC(=O)c2c(C)oc(-n3cccc3)c2-c2nnn[n-]2)CC1 ZINC000735426177 598361473 /nfs/dbraw/zinc/36/14/73/598361473.db2.gz LMTSAXCXZOFREF-UHFFFAOYSA-N 0 3 381.440 1.939 20 30 GDEDHN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC000826073328 608019255 /nfs/dbraw/zinc/01/92/55/608019255.db2.gz OAMHBGXUQJANLX-LLVKDONJSA-N 0 3 395.427 1.019 20 30 GDEDHN N#CC(C(=O)CCNC(=O)c1cc(F)ccc1Br)C(=O)NC1CC1 ZINC000129519395 644734564 /nfs/dbraw/zinc/73/45/64/644734564.db2.gz LTZKNRJLOVRHLV-LBPRGKRZSA-N 0 3 396.216 1.696 20 30 GDEDHN CC(C)NC(=O)C(C#N)C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000130951492 644741896 /nfs/dbraw/zinc/74/18/96/644741896.db2.gz QRGBWXNDCOGZJV-GFCCVEGCSA-N 0 3 391.225 1.392 20 30 GDEDHN [NH2+]=C(NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)N1CCSCC1 ZINC000262683866 645135837 /nfs/dbraw/zinc/13/58/37/645135837.db2.gz XRKQNPWQANIRCN-UHFFFAOYSA-N 0 3 397.353 1.635 20 30 GDEDHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000421296740 646002045 /nfs/dbraw/zinc/00/20/45/646002045.db2.gz KFOAWKCVIAKGHT-ZDUSSCGKSA-N 0 3 379.258 1.812 20 30 GDEDHN CC(C)NC(=O)C(C#N)C(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000916946901 660203838 /nfs/dbraw/zinc/20/38/38/660203838.db2.gz PRADZKYDWLIWMH-GFCCVEGCSA-N 0 3 392.209 1.279 20 30 GDEDHN N#Cc1sccc1N1CCN(S(=O)(=O)C[C@@]23CCN(C2)CCC3)CC1 ZINC000917185686 660207607 /nfs/dbraw/zinc/20/76/07/660207607.db2.gz KKPZAFWCOOSAEA-KRWDZBQOSA-N 0 3 380.539 1.557 20 30 GDEDHN N#CCCCC[C@H]([NH3+])C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000594457306 652289748 /nfs/dbraw/zinc/28/97/48/652289748.db2.gz YEGWIWUPCHYUBO-ZDUSSCGKSA-N 0 3 390.868 1.285 20 30 GDEDHN N#Cc1ccc(OCC(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc1Br ZINC000599938454 652519006 /nfs/dbraw/zinc/51/90/06/652519006.db2.gz AVRAFNIWSCFQLH-UONOGXRCSA-N 0 3 394.269 1.367 20 30 GDEDHN O=S(=O)(NC1CCCC1)c1ccc(=NNC2=CS(=O)(=O)CCC2)[nH]c1 ZINC000731925897 654453224 /nfs/dbraw/zinc/45/32/24/654453224.db2.gz BCMWXUYSVZNIHC-UHFFFAOYSA-N 0 3 386.499 1.279 20 30 GDEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc(I)cc1 ZINC000815083067 655286173 /nfs/dbraw/zinc/28/61/73/655286173.db2.gz OCKSEPKVFNCOMO-UHFFFAOYSA-N 0 3 392.262 1.525 20 30 GDEDHN C#CC[N@@H+](C)CCC[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000815083036 655286219 /nfs/dbraw/zinc/28/62/19/655286219.db2.gz MKYRXIWKJOEEKB-UHFFFAOYSA-N 0 3 378.903 1.730 20 30 GDEDHN C#CC[N@H+](C)CCC[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000815083036 655286220 /nfs/dbraw/zinc/28/62/20/655286220.db2.gz MKYRXIWKJOEEKB-UHFFFAOYSA-N 0 3 378.903 1.730 20 30 GDEDHN N#Cc1ccc(OCC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1Br ZINC000825517158 655490297 /nfs/dbraw/zinc/49/02/97/655490297.db2.gz NYIKWBYDNMPUBY-HIFRSBDPSA-N 0 3 394.269 1.679 20 30 GDEDHN N#Cc1c(Br)cccc1OCC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000825516754 655490304 /nfs/dbraw/zinc/49/03/04/655490304.db2.gz AKFKIEOQSXPDTP-CHWSQXEVSA-N 0 3 394.269 1.679 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000876645209 656621044 /nfs/dbraw/zinc/62/10/44/656621044.db2.gz HNYDXDOQONXDNH-DZGCQCFKSA-N 0 3 389.880 1.565 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000876660815 656622256 /nfs/dbraw/zinc/62/22/56/656622256.db2.gz HUWDREVYHWGGNY-NSHDSACASA-N 0 3 391.843 1.271 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000876875305 656636622 /nfs/dbraw/zinc/63/66/22/656636622.db2.gz RJKHQCAEVZJBCM-HUUCEWRRSA-N 0 3 385.295 1.481 20 30 GDEDHN N#Cc1cnc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)c(Br)c1 ZINC000882125904 657047964 /nfs/dbraw/zinc/04/79/64/657047964.db2.gz PRUOCILXQHKMMV-AWEZNQCLSA-N 0 3 378.274 1.634 20 30 GDEDHN C[C@@H](C#N)C(=O)N1C[C@H]2C[N@H+](Cc3ccc(F)c(-c4nnn[n-]4)c3)C[C@@]2(C)C1 ZINC001573569778 947075065 /nfs/dbraw/zinc/07/50/65/947075065.db2.gz FHOIGTALLCLBDT-CFZJUORYSA-N 0 3 383.431 1.446 20 30 GDEDHN C[C@@H](C#N)C(=O)N1C[C@H]2C[N@@H+](Cc3ccc(F)c(-c4nnn[n-]4)c3)C[C@@]2(C)C1 ZINC001573569778 947075076 /nfs/dbraw/zinc/07/50/76/947075076.db2.gz FHOIGTALLCLBDT-CFZJUORYSA-N 0 3 383.431 1.446 20 30 GDEDHN C=C1CC(C)(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573298783 947082430 /nfs/dbraw/zinc/08/24/30/947082430.db2.gz RYSJTECULQSZNT-HNNXBMFYSA-N 0 3 388.447 1.271 20 30 GDEDHN C=C1CC(C)(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573298783 947082436 /nfs/dbraw/zinc/08/24/36/947082436.db2.gz RYSJTECULQSZNT-HNNXBMFYSA-N 0 3 388.447 1.271 20 30 GDEDHN C[C@@H](C#N)C(=O)N[C@@H]1CC12CC[NH+](Cc1ccc(-c3nnn[n-]3)c(F)c1)CC2 ZINC001573572010 947106615 /nfs/dbraw/zinc/10/66/15/947106615.db2.gz CVFCMCLLZDSMFM-BLLLJJGKSA-N 0 3 383.431 1.636 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573309218 947193932 /nfs/dbraw/zinc/19/39/32/947193932.db2.gz FDFVKMIFRYVTKH-KZULUSFZSA-N 0 3 376.436 1.269 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573309218 947193938 /nfs/dbraw/zinc/19/39/38/947193938.db2.gz FDFVKMIFRYVTKH-KZULUSFZSA-N 0 3 376.436 1.269 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573310637 947227962 /nfs/dbraw/zinc/22/79/62/947227962.db2.gz YRMHRHVIYHHQPM-AUUYWEPGSA-N 0 3 388.447 1.414 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573310637 947227973 /nfs/dbraw/zinc/22/79/73/947227973.db2.gz YRMHRHVIYHHQPM-AUUYWEPGSA-N 0 3 388.447 1.414 20 30 GDEDHN C[C@H](C#N)C(=O)N[C@H](C)C1CC[NH+](Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573584685 947230161 /nfs/dbraw/zinc/23/01/61/947230161.db2.gz BQFYLOMFKBGBTE-CHWSQXEVSA-N 0 3 385.447 1.882 20 30 GDEDHN C=CCCOCC(=O)N1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C[C@@H]1C ZINC001573335745 947488101 /nfs/dbraw/zinc/48/81/01/947488101.db2.gz CTSBPCQKMBCBCK-XJKSGUPXSA-N 0 3 388.447 1.678 20 30 GDEDHN C=CCCOCC(=O)N1C[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C[C@@H]1C ZINC001573335745 947488110 /nfs/dbraw/zinc/48/81/10/947488110.db2.gz CTSBPCQKMBCBCK-XJKSGUPXSA-N 0 3 388.447 1.678 20 30 GDEDHN C=CCOCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001573348464 947584260 /nfs/dbraw/zinc/58/42/60/947584260.db2.gz QYDSNBFQAWJGND-QDMKHBRRSA-N 0 3 385.472 1.370 20 30 GDEDHN C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001573348464 947584270 /nfs/dbraw/zinc/58/42/70/947584270.db2.gz QYDSNBFQAWJGND-QDMKHBRRSA-N 0 3 385.472 1.370 20 30 GDEDHN C=CCOCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001573348464 947584279 /nfs/dbraw/zinc/58/42/79/947584279.db2.gz QYDSNBFQAWJGND-QDMKHBRRSA-N 0 3 385.472 1.370 20 30 GDEDHN C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001573348464 947584288 /nfs/dbraw/zinc/58/42/88/947584288.db2.gz QYDSNBFQAWJGND-QDMKHBRRSA-N 0 3 385.472 1.370 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573351861 947621231 /nfs/dbraw/zinc/62/12/31/947621231.db2.gz WJDXLNHTXAHJPT-JQHSSLGASA-N 0 3 382.468 1.491 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573351861 947621237 /nfs/dbraw/zinc/62/12/37/947621237.db2.gz WJDXLNHTXAHJPT-JQHSSLGASA-N 0 3 382.468 1.491 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573351861 947621243 /nfs/dbraw/zinc/62/12/43/947621243.db2.gz WJDXLNHTXAHJPT-JQHSSLGASA-N 0 3 382.468 1.491 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573351861 947621250 /nfs/dbraw/zinc/62/12/50/947621250.db2.gz WJDXLNHTXAHJPT-JQHSSLGASA-N 0 3 382.468 1.491 20 30 GDEDHN C[C@H](CN(C)C(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574739526 950197972 /nfs/dbraw/zinc/19/79/72/950197972.db2.gz RDOOIEYGIFBWOV-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@H](CN(C)C(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574739526 950197989 /nfs/dbraw/zinc/19/79/89/950197989.db2.gz RDOOIEYGIFBWOV-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@H]1[C@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575908897 950384095 /nfs/dbraw/zinc/38/40/95/950384095.db2.gz WZWQSESHAKGSKX-IINYFYTJSA-N 0 3 382.453 1.521 20 30 GDEDHN C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001576214893 950682552 /nfs/dbraw/zinc/68/25/52/950682552.db2.gz DEMFNBNHTPLUEZ-FZKQIMNGSA-N 0 3 382.443 1.746 20 30 GDEDHN C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001576214893 950682565 /nfs/dbraw/zinc/68/25/65/950682565.db2.gz DEMFNBNHTPLUEZ-FZKQIMNGSA-N 0 3 382.443 1.746 20 30 GDEDHN C[C@H]1CN(C(=O)C#CC2CC2)CC[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001576214895 950683245 /nfs/dbraw/zinc/68/32/45/950683245.db2.gz DEMFNBNHTPLUEZ-SCLBCKFNSA-N 0 3 382.443 1.746 20 30 GDEDHN C[C@H]1CN(C(=O)C#CC2CC2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001576214895 950683256 /nfs/dbraw/zinc/68/32/56/950683256.db2.gz DEMFNBNHTPLUEZ-SCLBCKFNSA-N 0 3 382.443 1.746 20 30 GDEDHN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1ccc(C#N)[nH]1 ZINC001575078145 951677269 /nfs/dbraw/zinc/67/72/69/951677269.db2.gz JHZRDSALSFNASN-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@H](O)CN1CCC(CN(C)S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000161475165 530560974 /nfs/dbraw/zinc/56/09/74/530560974.db2.gz HFZIQVGLKAEOPL-ZDUSSCGKSA-N 0 3 385.917 1.925 20 30 GDEDHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000096999469 530818972 /nfs/dbraw/zinc/81/89/72/530818972.db2.gz RBEIIGIZLURAFE-AWEZNQCLSA-N 0 3 384.933 1.764 20 30 GDEDHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3cccc(C#N)c3Br)C[C@@H]21 ZINC000591415664 531722217 /nfs/dbraw/zinc/72/22/17/531722217.db2.gz BUTVUHSJSPUYRT-YPMHNXCESA-N 0 3 377.242 1.422 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCCCS(C)(=O)=O)cc1 ZINC000591866649 531743287 /nfs/dbraw/zinc/74/32/87/531743287.db2.gz OPDZFAJZTRPMKJ-GFCCVEGCSA-N 0 3 387.483 1.319 20 30 GDEDHN C=CCNc1nnc(S(=O)(=O)C(C)C(=O)NCc2ccccc2F)s1 ZINC000453026256 531809379 /nfs/dbraw/zinc/80/93/79/531809379.db2.gz RFNYIUZNBBNXOL-SNVBAGLBSA-N 0 3 384.458 1.754 20 30 GDEDHN CN(C)CCN1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593390500 531832213 /nfs/dbraw/zinc/83/22/13/531832213.db2.gz FDVCSLRSXKYZGJ-UHFFFAOYSA-N 0 3 379.302 1.569 20 30 GDEDHN CN(CCNC[C@@H](O)CC1(C#N)CCOCC1)S(=O)(=O)c1cccs1 ZINC000600726533 532053598 /nfs/dbraw/zinc/05/35/98/532053598.db2.gz HLDDRWLWKOTVMO-AWEZNQCLSA-N 0 3 387.527 1.030 20 30 GDEDHN CN1CC=C(CNC(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000329221274 532099429 /nfs/dbraw/zinc/09/94/29/532099429.db2.gz UOQGETIDHODMFC-UHFFFAOYSA-N 0 3 385.511 1.336 20 30 GDEDHN CN(CCn1cc(Br)cn1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000288984424 532312835 /nfs/dbraw/zinc/31/28/35/532312835.db2.gz ZOGAJCJCLWWADP-OAHLLOKOSA-N 0 3 379.258 1.889 20 30 GDEDHN C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736768748 598462257 /nfs/dbraw/zinc/46/22/57/598462257.db2.gz JLYJROSZNFJPFA-UHFFFAOYSA-N 0 3 376.424 1.337 20 30 GDEDHN C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736768748 598462259 /nfs/dbraw/zinc/46/22/59/598462259.db2.gz JLYJROSZNFJPFA-UHFFFAOYSA-N 0 3 376.424 1.337 20 30 GDEDHN C#CCN1CCC(C(=O)N2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000735375098 598745498 /nfs/dbraw/zinc/74/54/98/598745498.db2.gz SUJCHMYWDUWORU-UHFFFAOYSA-N 0 3 394.479 1.582 20 30 GDEDHN N#Cc1cc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)ccc1Br ZINC000559605216 650734334 /nfs/dbraw/zinc/73/43/34/650734334.db2.gz OESHFMPSKYJOTM-AWEZNQCLSA-N 0 3 391.269 1.956 20 30 GDEDHN CC(C)[C@@H](C(=O)NCCS(=O)(=O)N1CCSCC1)N1CCCCC1 ZINC000328832298 645280592 /nfs/dbraw/zinc/28/05/92/645280592.db2.gz RMQHCVZQRWHUAL-HNNXBMFYSA-N 0 3 377.576 1.832 20 30 GDEDHN CS(=O)(=O)N1CCC(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)CC1 ZINC000916911696 660203294 /nfs/dbraw/zinc/20/32/94/660203294.db2.gz WIOMHUKSIOHFNE-GFCCVEGCSA-N 0 3 383.857 1.659 20 30 GDEDHN N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)ccc1Br ZINC000590226352 652126192 /nfs/dbraw/zinc/12/61/92/652126192.db2.gz JMNCBANKDZUIFC-CQSZACIVSA-N 0 3 391.269 1.860 20 30 GDEDHN N#CC(C(=O)CCCc1ccccc1Cl)C(=O)N1CCS(=O)(=O)CC1 ZINC000810581189 655166173 /nfs/dbraw/zinc/16/61/73/655166173.db2.gz MCWZEPFHZFFPFK-CQSZACIVSA-N 0 3 382.869 1.629 20 30 GDEDHN COCCNC(=O)C(C#N)C(=O)COc1ccc(Br)cc1C(C)=O ZINC000796788681 655220767 /nfs/dbraw/zinc/22/07/67/655220767.db2.gz LDHRBFYADCUQHU-CYBMUJFWSA-N 0 3 397.225 1.502 20 30 GDEDHN CN(CC(=O)C(C#N)C(=O)NC1CC1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796793956 655220937 /nfs/dbraw/zinc/22/09/37/655220937.db2.gz RIMMDLDYODHZDQ-NSHDSACASA-N 0 3 395.213 1.781 20 30 GDEDHN C[C@H](NCC1(CC#N)CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000797586231 655246429 /nfs/dbraw/zinc/24/64/29/655246429.db2.gz AMOZIEPCEFCMLK-ZDUSSCGKSA-N 0 3 385.511 1.757 20 30 GDEDHN C#CC[N@H+](C)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000815082202 655285937 /nfs/dbraw/zinc/28/59/37/655285937.db2.gz DZLQDUHXXCYHFI-UHFFFAOYSA-N 0 3 379.360 1.847 20 30 GDEDHN C#CC[N@@H+](C)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000815082202 655285940 /nfs/dbraw/zinc/28/59/40/655285940.db2.gz DZLQDUHXXCYHFI-UHFFFAOYSA-N 0 3 379.360 1.847 20 30 GDEDHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000842206889 655358542 /nfs/dbraw/zinc/35/85/42/655358542.db2.gz ZWJXVBUKDSJMIF-NSHDSACASA-N 0 3 379.258 1.860 20 30 GDEDHN C=CCS(=O)(=O)CCNC[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000819222005 655388368 /nfs/dbraw/zinc/38/83/68/655388368.db2.gz KXEQRFMCPVELEB-OAHLLOKOSA-N 0 3 376.519 1.185 20 30 GDEDHN C#CCN(C)CCCNC(=O)C[C@@H]1c2cc(Br)ccc2NC1=O ZINC000820688634 655413740 /nfs/dbraw/zinc/41/37/40/655413740.db2.gz WOVBRKYHDDHSRO-CQSZACIVSA-N 0 3 378.270 1.946 20 30 GDEDHN C#CCN1CCC(C(=O)NN2Cc3ccc(Br)cc3C2=O)CC1 ZINC000862644252 655849738 /nfs/dbraw/zinc/84/97/38/655849738.db2.gz LGVUKJSITFAZER-UHFFFAOYSA-N 0 3 376.254 1.781 20 30 GDEDHN O=S(=O)(C1CNC1)N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000923731322 656596023 /nfs/dbraw/zinc/59/60/23/656596023.db2.gz KTJIOKARGFRJLH-KNVOCYPGSA-N 0 3 388.280 1.391 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000876894918 656637509 /nfs/dbraw/zinc/63/75/09/656637509.db2.gz YUKQEZLFTBLYCB-QWHCGFSZSA-N 0 3 386.677 1.919 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000876959940 656642378 /nfs/dbraw/zinc/64/23/78/656642378.db2.gz ZEWDFZJMNGLUSJ-SNVBAGLBSA-N 0 3 375.654 1.160 20 30 GDEDHN N#Cc1cnc(N2CCN(C(=O)CN3CCCC3)CC2)c(Br)c1 ZINC000881916867 656992247 /nfs/dbraw/zinc/99/22/47/656992247.db2.gz SEQJGUPKZUNOAG-UHFFFAOYSA-N 0 3 378.274 1.460 20 30 GDEDHN N#C[C@@H]1CNCC12CC(C(=O)NCC(=O)Nc1ccc(Br)cc1)C2 ZINC000884096567 657324209 /nfs/dbraw/zinc/32/42/09/657324209.db2.gz ZFCVVXUHYMWXQT-VMBJYNEYSA-N 0 3 391.269 1.643 20 30 GDEDHN CCc1nc(C#N)c(C#N)nc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164878618 721181361 /nfs/dbraw/zinc/18/13/61/721181361.db2.gz QRZLIEPIIOXPJK-IAGOWNOFSA-N 0 3 389.463 1.657 20 30 GDEDHN N#Cc1c[nH]c2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164979204 722099717 /nfs/dbraw/zinc/09/97/17/722099717.db2.gz HJCBSETXNVNABQ-WMZOPIPTSA-N 0 3 389.463 1.952 20 30 GDEDHN CC1(C)CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001571299998 946269177 /nfs/dbraw/zinc/26/91/77/946269177.db2.gz XTMKTLJQCUIVKN-QGZVFWFLSA-N 0 3 390.451 1.707 20 30 GDEDHN CC1(C)CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001571299998 946269189 /nfs/dbraw/zinc/26/91/89/946269189.db2.gz XTMKTLJQCUIVKN-QGZVFWFLSA-N 0 3 390.451 1.707 20 30 GDEDHN C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)cn1 ZINC001573287940 946852163 /nfs/dbraw/zinc/85/21/63/946852163.db2.gz MEQJQSPVKHDYSO-INIZCTEOSA-N 0 3 391.410 1.386 20 30 GDEDHN C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)cn1 ZINC001573287940 946852185 /nfs/dbraw/zinc/85/21/85/946852185.db2.gz MEQJQSPVKHDYSO-INIZCTEOSA-N 0 3 391.410 1.386 20 30 GDEDHN C#CCOCCC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573288488 946867572 /nfs/dbraw/zinc/86/75/72/946867572.db2.gz UVSRXOCCVMVUJJ-KRWDZBQOSA-N 0 3 382.468 1.235 20 30 GDEDHN C#CCOCCC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573288488 946867590 /nfs/dbraw/zinc/86/75/90/946867590.db2.gz UVSRXOCCVMVUJJ-KRWDZBQOSA-N 0 3 382.468 1.235 20 30 GDEDHN C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)Cc3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC001573288570 946871643 /nfs/dbraw/zinc/87/16/43/946871643.db2.gz MXFHNFKVXVNJRE-IBGZPJMESA-N 0 3 387.447 1.590 20 30 GDEDHN C#Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)Cc3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC001573288570 946871656 /nfs/dbraw/zinc/87/16/56/946871656.db2.gz MXFHNFKVXVNJRE-IBGZPJMESA-N 0 3 387.447 1.590 20 30 GDEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573294795 946999399 /nfs/dbraw/zinc/99/93/99/946999399.db2.gz KXUPUKJSQHSUGY-NEWSRXKRSA-N 0 3 396.495 1.929 20 30 GDEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573294795 946999405 /nfs/dbraw/zinc/99/94/05/946999405.db2.gz KXUPUKJSQHSUGY-NEWSRXKRSA-N 0 3 396.495 1.929 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N(C)C1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573308976 947188763 /nfs/dbraw/zinc/18/87/63/947188763.db2.gz AJQVDIAKUIZHNW-HXUWFJFHSA-N 0 3 384.484 1.617 20 30 GDEDHN C[C@@H](C#N)C(=O)NCC[C@@H]1C[N@H+](Cc2cc(F)ccc2-c2nnn[n-]2)C[C@H]1C ZINC001573584082 947210447 /nfs/dbraw/zinc/21/04/47/947210447.db2.gz QGYPBSYGWQRZEA-BFHYXJOUSA-N 0 3 385.447 1.740 20 30 GDEDHN C[C@@H](C#N)C(=O)NCC[C@@H]1C[N@@H+](Cc2cc(F)ccc2-c2nnn[n-]2)C[C@H]1C ZINC001573584082 947210453 /nfs/dbraw/zinc/21/04/53/947210453.db2.gz QGYPBSYGWQRZEA-BFHYXJOUSA-N 0 3 385.447 1.740 20 30 GDEDHN C[C@H](C#N)C(=O)NCCC1CC[NH+](Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573584585 947227353 /nfs/dbraw/zinc/22/73/53/947227353.db2.gz YTMKLRKNDUXGGY-CYBMUJFWSA-N 0 3 385.447 1.884 20 30 GDEDHN C=CCCOCC(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C(C)(C)C1 ZINC001573337118 947513338 /nfs/dbraw/zinc/51/33/38/947513338.db2.gz UUIJYUVEMJVQNW-QGZVFWFLSA-N 0 3 384.484 1.786 20 30 GDEDHN C=CCCOCC(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C(C)(C)C1 ZINC001573337118 947513340 /nfs/dbraw/zinc/51/33/40/947513340.db2.gz UUIJYUVEMJVQNW-QGZVFWFLSA-N 0 3 384.484 1.786 20 30 GDEDHN C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575890781 949965624 /nfs/dbraw/zinc/96/56/24/949965624.db2.gz ZVSINIRATCGCID-CXAGYDPISA-N 0 3 390.451 1.849 20 30 GDEDHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC001575020311 951056168 /nfs/dbraw/zinc/05/61/68/951056168.db2.gz YPHFFLDGLXEAFD-LBPRGKRZSA-N 0 3 380.412 1.005 20 30 GDEDHN C[C@](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)(NC(=O)c1c[nH]c(C#N)c1)C1CC1 ZINC001575105467 951895661 /nfs/dbraw/zinc/89/56/61/951895661.db2.gz KHAUETINKGGVEP-HXUWFJFHSA-N 0 3 390.451 1.755 20 30 GDEDHN C[C@](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)(NC(=O)c1c[nH]c(C#N)c1)C1CC1 ZINC001575105467 951895673 /nfs/dbraw/zinc/89/56/73/951895673.db2.gz KHAUETINKGGVEP-HXUWFJFHSA-N 0 3 390.451 1.755 20 30 GDEDHN N#Cc1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)c[nH]1 ZINC001571119490 952492961 /nfs/dbraw/zinc/49/29/61/952492961.db2.gz CDZBKKHDOTZJLC-OAHLLOKOSA-N 0 3 376.424 1.461 20 30 GDEDHN N#Cc1cc(C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)c[nH]1 ZINC001571119490 952492963 /nfs/dbraw/zinc/49/29/63/952492963.db2.gz CDZBKKHDOTZJLC-OAHLLOKOSA-N 0 3 376.424 1.461 20 30 GDEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cnc(Br)c(C)c2)CC1 ZINC000182797765 530804857 /nfs/dbraw/zinc/80/48/57/530804857.db2.gz UVRKQFFMFXVXIV-UHFFFAOYSA-N 0 3 381.274 1.858 20 30 GDEDHN CN1CCC(n2c(=O)/c(=C/c3sccc3Cl)sc2=C(C#N)C#N)CC1 ZINC000195367529 531021998 /nfs/dbraw/zinc/02/19/98/531021998.db2.gz KYYBFEAGYYPXIA-NVNXTCNLSA-N 0 3 390.921 1.918 20 30 GDEDHN CN1CCC(n2c(=O)/c(=C\c3ccc(Cl)s3)sc2=C(C#N)C#N)CC1 ZINC000194331406 531003731 /nfs/dbraw/zinc/00/37/31/531003731.db2.gz PVZQXZVHSNUFMB-RIYZIHGNSA-N 0 3 390.921 1.918 20 30 GDEDHN N#Cc1cc(Cl)ccc1S(=O)(=O)NCCCN1CCC[C@H](C(N)=O)C1 ZINC000157084071 531206142 /nfs/dbraw/zinc/20/61/42/531206142.db2.gz JCPGKBDKSBEXDA-LBPRGKRZSA-N 0 3 384.889 1.077 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H](C)CS(C)(=O)=O)cc1 ZINC000481031410 531383527 /nfs/dbraw/zinc/38/35/27/531383527.db2.gz HFQMWCVDCATREQ-NEPJUHHUSA-N 0 3 387.483 1.269 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC(C)(C)CS(C)(=O)=O)cc1 ZINC000483622992 531413628 /nfs/dbraw/zinc/41/36/28/531413628.db2.gz OQXBALJBSVRBFP-NSHDSACASA-N 0 3 387.483 1.317 20 30 GDEDHN C[C@H](CO)N1CCCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000451084143 531544350 /nfs/dbraw/zinc/54/43/50/531544350.db2.gz JHOKQVPXDREUBB-CYBMUJFWSA-N 0 3 396.285 1.615 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](S(C)(=O)=O)C2)cc1 ZINC000588291114 531651512 /nfs/dbraw/zinc/65/15/12/531651512.db2.gz YMLYULWCRIKZCG-RISCZKNCSA-N 0 3 385.467 1.023 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCS2)cc1 ZINC000569465115 531921860 /nfs/dbraw/zinc/92/18/60/531921860.db2.gz ZDOJELLHMGIALY-AAEUAGOBSA-N 0 3 381.479 1.323 20 30 GDEDHN C=CCN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000299191050 531965625 /nfs/dbraw/zinc/96/56/25/531965625.db2.gz RXMDPCUPFOBCPM-UHFFFAOYSA-N 0 3 382.302 1.984 20 30 GDEDHN C=C(C)CN1CCC(NC(=O)NCCn2cc(Br)ccc2=O)CC1 ZINC000573775544 531989663 /nfs/dbraw/zinc/98/96/63/531989663.db2.gz FAXHTBVSZVCGAU-UHFFFAOYSA-N 0 3 397.317 1.951 20 30 GDEDHN CN(C)CCCS(=O)(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000601406611 532063619 /nfs/dbraw/zinc/06/36/19/532063619.db2.gz QPAUVMREWRKWAQ-QGZVFWFLSA-N 0 3 384.933 1.804 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[S@](=O)CC[C@H]2C)cc1 ZINC000332262789 532175945 /nfs/dbraw/zinc/17/59/45/532175945.db2.gz FEPUQENYEGLWDH-RSPPDBIESA-N 0 3 383.495 1.747 20 30 GDEDHN C[NH+](C)Cc1ccc(C(N)=NOCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821587031 606178486 /nfs/dbraw/zinc/17/84/86/606178486.db2.gz CPCLXROADDFWBV-UHFFFAOYSA-N 0 3 394.439 1.204 20 30 GDEDHN C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000823903683 609229047 /nfs/dbraw/zinc/22/90/47/609229047.db2.gz HGLMGBSAZUHJOD-ZWKOTPCHSA-N 0 3 384.484 1.715 20 30 GDEDHN CCN(CC)S(=O)(=O)CC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786538433 654943062 /nfs/dbraw/zinc/94/30/62/654943062.db2.gz UNNAVTZZOWBBGQ-AWEZNQCLSA-N 0 3 385.873 1.337 20 30 GDEDHN COCCCNC(=O)C(C#N)C(=O)Cn1nc(C(F)(F)F)c(Cl)c1C ZINC000810527506 655164113 /nfs/dbraw/zinc/16/41/13/655164113.db2.gz LZRQRBIKCJMEPO-VIFPVBQESA-N 0 3 380.754 1.725 20 30 GDEDHN N#CC(C(=O)CCCc1ccccc1Cl)C(=O)N1CCS(=O)(=O)CC1 ZINC000810581188 655166216 /nfs/dbraw/zinc/16/62/16/655166216.db2.gz MCWZEPFHZFFPFK-AWEZNQCLSA-N 0 3 382.869 1.629 20 30 GDEDHN C=CCS(=O)(=O)CCNC[C@@H](O)COc1cccc(Br)c1 ZINC000819221790 655388354 /nfs/dbraw/zinc/38/83/54/655388354.db2.gz IEWBYFBCEDQOHO-CYBMUJFWSA-N 0 3 378.288 1.379 20 30 GDEDHN C#C[C@@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1ccc(Br)cc1 ZINC000820611194 655412700 /nfs/dbraw/zinc/41/27/00/655412700.db2.gz HXEUNVYYVAQDCZ-ARFHVFGLSA-N 0 3 378.270 1.584 20 30 GDEDHN C#CCN(C(=O)c1cn(C)nc1I)C1CCN(C)CC1 ZINC000886572533 657677096 /nfs/dbraw/zinc/67/70/96/657677096.db2.gz PHLDRSFHEPRSRV-UHFFFAOYSA-N 0 3 386.237 1.194 20 30 GDEDHN C#CCN(CN1c2cc(Br)ccc2C(=O)C1=O)C1CCN(C)CC1 ZINC000902535769 659261311 /nfs/dbraw/zinc/26/13/11/659261311.db2.gz CHGZJSLYTHCFPF-UHFFFAOYSA-N 0 3 390.281 1.965 20 30 GDEDHN C#CCN(C(=O)C(=O)N1CCS[C@H](C(F)(F)F)C1)C1CCN(C)CC1 ZINC000910882745 659987554 /nfs/dbraw/zinc/98/75/54/659987554.db2.gz HLTYDOURKFHWCH-ZDUSSCGKSA-N 0 3 377.432 1.049 20 30 GDEDHN C[NH+]=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCC[C@H](C)C1 ZINC000161084570 677676853 /nfs/dbraw/zinc/67/68/53/677676853.db2.gz JSGCJEKEBQBDTL-NSHDSACASA-N 0 3 378.951 1.987 20 30 GDEDHN C#Cc1cncc(C(=O)N2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]2C)c1 ZINC001573290990 946913605 /nfs/dbraw/zinc/91/36/05/946913605.db2.gz UMFZZSHRQZPCSB-KUHUBIRLSA-N 0 3 387.447 1.636 20 30 GDEDHN C=C(C)CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573293839 946969363 /nfs/dbraw/zinc/96/93/63/946969363.db2.gz LEKMWSNXNOFRCX-KRXQYRFLSA-N 0 3 381.484 1.943 20 30 GDEDHN C=C(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573293839 946969369 /nfs/dbraw/zinc/96/93/69/946969369.db2.gz LEKMWSNXNOFRCX-KRXQYRFLSA-N 0 3 381.484 1.943 20 30 GDEDHN C=C(C)CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573293839 946969373 /nfs/dbraw/zinc/96/93/73/946969373.db2.gz LEKMWSNXNOFRCX-KRXQYRFLSA-N 0 3 381.484 1.943 20 30 GDEDHN C=C(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573293839 946969378 /nfs/dbraw/zinc/96/93/78/946969378.db2.gz LEKMWSNXNOFRCX-KRXQYRFLSA-N 0 3 381.484 1.943 20 30 GDEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573294351 946985959 /nfs/dbraw/zinc/98/59/59/946985959.db2.gz CWHWQTUDSCULEX-NEWSRXKRSA-N 0 3 396.495 1.786 20 30 GDEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573294351 946985964 /nfs/dbraw/zinc/98/59/64/946985964.db2.gz CWHWQTUDSCULEX-NEWSRXKRSA-N 0 3 396.495 1.786 20 30 GDEDHN C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001573297160 947061282 /nfs/dbraw/zinc/06/12/82/947061282.db2.gz FHVSBYHDPXTSJL-SJCJKPOMSA-N 0 3 375.864 1.779 20 30 GDEDHN C[C@@H](C#N)C(=O)NCCC1CC[NH+](Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573584586 947227327 /nfs/dbraw/zinc/22/73/27/947227327.db2.gz YTMKLRKNDUXGGY-ZDUSSCGKSA-N 0 3 385.447 1.884 20 30 GDEDHN C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573334497 947457759 /nfs/dbraw/zinc/45/77/59/947457759.db2.gz DYCFNHGLIRGNCQ-WBVHZDCISA-N 0 3 385.472 1.370 20 30 GDEDHN C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573334497 947457765 /nfs/dbraw/zinc/45/77/65/947457765.db2.gz DYCFNHGLIRGNCQ-WBVHZDCISA-N 0 3 385.472 1.370 20 30 GDEDHN C=CCCOCC(=O)N1CCC(C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573335561 947481760 /nfs/dbraw/zinc/48/17/60/947481760.db2.gz AMIDZBPQPPRLKZ-UHFFFAOYSA-N 0 3 384.484 1.788 20 30 GDEDHN C=CCCOCC(=O)N1CCC(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573335561 947481768 /nfs/dbraw/zinc/48/17/68/947481768.db2.gz AMIDZBPQPPRLKZ-UHFFFAOYSA-N 0 3 384.484 1.788 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001573351163 947611136 /nfs/dbraw/zinc/61/11/36/947611136.db2.gz NJACOYQVDVZKRZ-MSOLQXFVSA-N 0 3 394.479 1.492 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001573351163 947611142 /nfs/dbraw/zinc/61/11/42/947611142.db2.gz NJACOYQVDVZKRZ-MSOLQXFVSA-N 0 3 394.479 1.492 20 30 GDEDHN C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575890782 949963347 /nfs/dbraw/zinc/96/33/47/949963347.db2.gz ZVSINIRATCGCID-DYVFJYSZSA-N 0 3 390.451 1.849 20 30 GDEDHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575907370 950329442 /nfs/dbraw/zinc/32/94/42/950329442.db2.gz NQTWMZFMEKSVLY-MFKMUULPSA-N 0 3 382.453 1.521 20 30 GDEDHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1cc(C#N)c[nH]1 ZINC001575080477 951710997 /nfs/dbraw/zinc/71/09/97/951710997.db2.gz WUNYKAFMQQKSJN-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@H](O)CN1CCC(CN(C)S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000161462350 530560945 /nfs/dbraw/zinc/56/09/45/530560945.db2.gz OGILVXOIEPLVNG-ZDUSSCGKSA-N 0 3 385.917 1.925 20 30 GDEDHN C=CCNC(=O)NC(=O)CNC(C)(C)COc1ncccc1Br ZINC000181517159 530785717 /nfs/dbraw/zinc/78/57/17/530785717.db2.gz FMJAEXCUBACVQP-UHFFFAOYSA-N 0 3 385.262 1.603 20 30 GDEDHN CCN1CCC(NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000292961091 531391797 /nfs/dbraw/zinc/39/17/97/531391797.db2.gz FWNLQQIHYDYSCX-UHFFFAOYSA-N 0 3 379.258 1.860 20 30 GDEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)C[C@H]2CNCCO2)nc1C ZINC000269220527 531625400 /nfs/dbraw/zinc/62/54/00/531625400.db2.gz ZUMCREXRXWFMFC-JTQLQIEISA-N 0 3 380.499 1.502 20 30 GDEDHN C#CCN1CCC(C(=O)N[C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000299467708 531993428 /nfs/dbraw/zinc/99/34/28/531993428.db2.gz UGWQECIBIRFJBO-HNNXBMFYSA-N 0 3 378.270 1.437 20 30 GDEDHN CN(C)CCCS(=O)(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000601406610 532062905 /nfs/dbraw/zinc/06/29/05/532062905.db2.gz QPAUVMREWRKWAQ-KRWDZBQOSA-N 0 3 384.933 1.804 20 30 GDEDHN NS(=O)(=O)c1cccc(NC(=O)CCN2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000330177917 532117626 /nfs/dbraw/zinc/11/76/26/532117626.db2.gz LCYHTYKAYKUVHS-LSDHHAIUSA-N 0 3 385.511 1.518 20 30 GDEDHN CCS(=O)(=O)N(C)C1CCN(C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000330163485 532116184 /nfs/dbraw/zinc/11/61/84/532116184.db2.gz SPHJXNKPGLJCDE-INIZCTEOSA-N 0 3 392.591 1.084 20 30 GDEDHN CC(C)NC(=O)C(C#N)C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000131068069 644743106 /nfs/dbraw/zinc/74/31/06/644743106.db2.gz CGJMKGNCBFXNQX-SECBINFHSA-N 0 3 386.271 1.816 20 30 GDEDHN CCN1CCC[C@H](NC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000330687360 645400393 /nfs/dbraw/zinc/40/03/93/645400393.db2.gz TWMYKUQOQCDAGX-NSHDSACASA-N 0 3 390.303 1.885 20 30 GDEDHN CNC(=O)C(C#N)C(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O ZINC000917002587 660204211 /nfs/dbraw/zinc/20/42/11/660204211.db2.gz LFRVHIRNAPQDBY-GFCCVEGCSA-N 0 3 392.209 1.280 20 30 GDEDHN C[C@@H](Oc1cccc(Cl)c1)C(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000732909512 654493005 /nfs/dbraw/zinc/49/30/05/654493005.db2.gz BTJKVZUQQCHOBF-RISCZKNCSA-N 0 3 384.841 1.073 20 30 GDEDHN C#CCN(C)CCCNC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000843897573 655402816 /nfs/dbraw/zinc/40/28/16/655402816.db2.gz ZXHYKKCMOCPPRL-UHFFFAOYSA-N 0 3 392.308 1.343 20 30 GDEDHN C[NH+]=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)NCc1ccco1 ZINC000849107572 655517383 /nfs/dbraw/zinc/51/73/83/655517383.db2.gz AXOFUUCZGUHOPJ-UHFFFAOYSA-N 0 3 388.852 1.716 20 30 GDEDHN CN1CCC(C#N)(NC(=O)c2ccc(I)cc2O)CC1 ZINC000865198222 655914362 /nfs/dbraw/zinc/91/43/62/655914362.db2.gz ICWXDLKRBMXBKQ-UHFFFAOYSA-N 0 3 385.205 1.715 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000876551653 656613010 /nfs/dbraw/zinc/61/30/10/656613010.db2.gz VSXITWPLIHZCMI-CQSZACIVSA-N 0 3 375.853 1.129 20 30 GDEDHN C#CCN(C(=O)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12)C1CCN(C)CC1 ZINC000930561050 657034269 /nfs/dbraw/zinc/03/42/69/657034269.db2.gz SYWKHRJKEVTLNA-PMPSAXMXSA-N 0 3 381.567 1.038 20 30 GDEDHN Cc1nc(Br)c(C=NNC(=S)NCCCN2CCOCC2)[nH]1 ZINC000901138622 659195876 /nfs/dbraw/zinc/19/58/76/659195876.db2.gz JPRAEASMNQOOCN-UHFFFAOYSA-N 0 3 389.323 1.001 20 30 GDEDHN Cc1cnc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)c(C=NO)c1 ZINC001164899393 721426895 /nfs/dbraw/zinc/42/68/95/721426895.db2.gz YLAMUFFLDPUMBR-CTNGQTDRSA-N 0 3 387.528 1.964 20 30 GDEDHN N#Cc1ccc(C[NH2+]CC2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)cc1 ZINC001571298208 946208109 /nfs/dbraw/zinc/20/81/09/946208109.db2.gz CJAKTTIQWYATHX-UHFFFAOYSA-N 0 3 390.451 1.708 20 30 GDEDHN N#Cc1ccc(C[NH2+]CC2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)cc1 ZINC001571298208 946208118 /nfs/dbraw/zinc/20/81/18/946208118.db2.gz CJAKTTIQWYATHX-UHFFFAOYSA-N 0 3 390.451 1.708 20 30 GDEDHN N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cc1 ZINC001571298163 946209102 /nfs/dbraw/zinc/20/91/02/946209102.db2.gz AXUAXPVBGARUJT-IAGOWNOFSA-N 0 3 390.451 1.897 20 30 GDEDHN N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cc1 ZINC001571298163 946209113 /nfs/dbraw/zinc/20/91/13/946209113.db2.gz AXUAXPVBGARUJT-IAGOWNOFSA-N 0 3 390.451 1.897 20 30 GDEDHN CC1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001571299439 946250381 /nfs/dbraw/zinc/25/03/81/946250381.db2.gz RJSMLPZDVQVZIB-KRWDZBQOSA-N 0 3 390.451 1.707 20 30 GDEDHN C#CCOCCC(=O)N1C[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C[C@@H]1C ZINC001573287594 946840616 /nfs/dbraw/zinc/84/06/16/946840616.db2.gz NWWUHFPHCOFEPO-BBRMVZONSA-N 0 3 386.431 1.125 20 30 GDEDHN C#Cc1ccc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)nc1 ZINC001573287915 946850300 /nfs/dbraw/zinc/85/03/00/946850300.db2.gz LYLRLBYNIFPUSX-SAABIXHNSA-N 0 3 387.447 1.541 20 30 GDEDHN C#Cc1ccc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)nc1 ZINC001573287915 946850308 /nfs/dbraw/zinc/85/03/08/946850308.db2.gz LYLRLBYNIFPUSX-SAABIXHNSA-N 0 3 387.447 1.541 20 30 GDEDHN C#Cc1ccc(C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC001573288013 946852745 /nfs/dbraw/zinc/85/27/45/946852745.db2.gz HHVDCWGBQPLYPG-UHFFFAOYSA-N 0 3 390.447 1.718 20 30 GDEDHN C#Cc1ccc(C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC001573288013 946852754 /nfs/dbraw/zinc/85/27/54/946852754.db2.gz HHVDCWGBQPLYPG-UHFFFAOYSA-N 0 3 390.447 1.718 20 30 GDEDHN C#CCOCCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573288242 946861596 /nfs/dbraw/zinc/86/15/96/946861596.db2.gz TXUIKNOTEHOWHX-APWZRJJASA-N 0 3 396.495 1.623 20 30 GDEDHN C#CCOCCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573288242 946861608 /nfs/dbraw/zinc/86/16/08/946861608.db2.gz TXUIKNOTEHOWHX-APWZRJJASA-N 0 3 396.495 1.623 20 30 GDEDHN C#CCOCCC(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573288497 946867305 /nfs/dbraw/zinc/86/73/05/946867305.db2.gz LRZGEFBIJRHSPY-INIZCTEOSA-N 0 3 382.468 1.235 20 30 GDEDHN C#CCOCCC(=O)NCC[C@H]1CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573288497 946867313 /nfs/dbraw/zinc/86/73/13/946867313.db2.gz LRZGEFBIJRHSPY-INIZCTEOSA-N 0 3 382.468 1.235 20 30 GDEDHN C#CCOCCC(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573288497 946867322 /nfs/dbraw/zinc/86/73/22/946867322.db2.gz LRZGEFBIJRHSPY-INIZCTEOSA-N 0 3 382.468 1.235 20 30 GDEDHN C#CCOCCC(=O)NCC[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573288497 946867332 /nfs/dbraw/zinc/86/73/32/946867332.db2.gz LRZGEFBIJRHSPY-INIZCTEOSA-N 0 3 382.468 1.235 20 30 GDEDHN C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21 ZINC001573295209 947012190 /nfs/dbraw/zinc/01/21/90/947012190.db2.gz MOYIXLJQLKMGIX-IACUBPJLSA-N 0 3 375.864 1.778 20 30 GDEDHN C[C@H](C#N)C(=O)N1CC2(C1)CC[NH+](Cc1ccc(-c3nnn[n-]3)c(F)c1)CC2 ZINC001573565863 947018790 /nfs/dbraw/zinc/01/87/90/947018790.db2.gz WWAYTNGOVNEDMA-CYBMUJFWSA-N 0 3 383.431 1.590 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC2(C1)CC[NH+](Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC001573568139 947068790 /nfs/dbraw/zinc/06/87/90/947068790.db2.gz YESWJVSRASVSFW-OAHLLOKOSA-N 0 3 379.468 1.841 20 30 GDEDHN C=CC(C)(C)CC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573304866 947145806 /nfs/dbraw/zinc/14/58/06/947145806.db2.gz IIBPVAXELRTYJI-KRWDZBQOSA-N 0 3 384.484 1.786 20 30 GDEDHN C[C@H](C#N)C(=O)NCC1(C)CC[NH+](Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573577022 947159476 /nfs/dbraw/zinc/15/94/76/947159476.db2.gz LBECAMJWYIWNTL-CYBMUJFWSA-N 0 3 385.447 1.884 20 30 GDEDHN C=CCCCCC[NH2+][C@@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573335158 947475231 /nfs/dbraw/zinc/47/52/31/947475231.db2.gz MVTXMYRHEFLNRD-IBGZPJMESA-N 0 3 387.488 1.498 20 30 GDEDHN C=CCCCCC[NH2+][C@@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573335158 947475242 /nfs/dbraw/zinc/47/52/42/947475242.db2.gz MVTXMYRHEFLNRD-IBGZPJMESA-N 0 3 387.488 1.498 20 30 GDEDHN C=CCCOCC(=O)N1CC[C@@H](C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573336028 947498356 /nfs/dbraw/zinc/49/83/56/947498356.db2.gz HHGJZKVSYMYULW-AWEZNQCLSA-N 0 3 388.447 1.537 20 30 GDEDHN C=CCCOCC(=O)N1CC[C@@H](C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573336028 947498363 /nfs/dbraw/zinc/49/83/63/947498363.db2.gz HHGJZKVSYMYULW-AWEZNQCLSA-N 0 3 388.447 1.537 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573351551 947617498 /nfs/dbraw/zinc/61/74/98/947617498.db2.gz RXTIKVXSKDMHFR-OIISXLGYSA-N 0 3 388.447 1.581 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573351551 947617504 /nfs/dbraw/zinc/61/75/04/947617504.db2.gz RXTIKVXSKDMHFR-OIISXLGYSA-N 0 3 388.447 1.581 20 30 GDEDHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1c[nH]c(C#N)c1 ZINC001575079459 951692738 /nfs/dbraw/zinc/69/27/38/951692738.db2.gz PTTGKKFORYBMAV-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091377 951775045 /nfs/dbraw/zinc/77/50/45/951775045.db2.gz SAWWLVKUFPOPFF-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091377 951775049 /nfs/dbraw/zinc/77/50/49/951775049.db2.gz SAWWLVKUFPOPFF-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN C[NH+]=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)NCc1ccco1 ZINC000130529392 531062529 /nfs/dbraw/zinc/06/25/29/531062529.db2.gz APBILVCTPVRYKA-UHFFFAOYSA-N 0 3 376.891 1.638 20 30 GDEDHN N#C[C@@H]1CN(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)CCO1 ZINC000409588167 531258342 /nfs/dbraw/zinc/25/83/42/531258342.db2.gz SXUKKDPTJJMCDZ-OAHLLOKOSA-N 0 3 384.527 1.019 20 30 GDEDHN C[C@H](CNC(=O)c1cccc(C#N)c1Br)CN1CCN(C)CC1 ZINC000448974137 531463848 /nfs/dbraw/zinc/46/38/48/531463848.db2.gz AFOCUQRNOUPWAZ-CYBMUJFWSA-N 0 3 379.302 1.934 20 30 GDEDHN CN1CCN(CCCNC(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000449160409 531467100 /nfs/dbraw/zinc/46/71/00/531467100.db2.gz BEKZRYLMVWLCQC-UHFFFAOYSA-N 0 3 395.301 1.453 20 30 GDEDHN N#Cc1ccc(OCC(=O)NCC2CCN(CCO)CC2)cc1Br ZINC000450170908 531487703 /nfs/dbraw/zinc/48/77/03/531487703.db2.gz YCEDNZSHOOMORI-UHFFFAOYSA-N 0 3 396.285 1.520 20 30 GDEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)NCC(=O)Nc1ccccc1Br ZINC000451674824 531663228 /nfs/dbraw/zinc/66/32/28/531663228.db2.gz NYJXTNNNOZCVGG-CABCVRRESA-N 0 3 396.285 1.827 20 30 GDEDHN Cc1c(NC(=O)C(=O)N2CC[C@H]3CN(C)C[C@H]32)ccc(Br)c1C#N ZINC000591874306 531743358 /nfs/dbraw/zinc/74/33/58/531743358.db2.gz FNLQSFHUWVTAQM-XHDPSFHLSA-N 0 3 391.269 1.730 20 30 GDEDHN CN1CC[C@@H]2CN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)C[C@@H]21 ZINC000592803134 531801453 /nfs/dbraw/zinc/80/14/53/531801453.db2.gz VBNFZGRRJHBLIH-PXAZEXFGSA-N 0 3 389.297 1.919 20 30 GDEDHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419665244 531949326 /nfs/dbraw/zinc/94/93/26/531949326.db2.gz NURWTRAFPWZCEJ-UHFFFAOYSA-N 0 3 397.273 1.296 20 30 GDEDHN CN1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc(Cl)cc3C#N)CC2)C1 ZINC000369673101 531970029 /nfs/dbraw/zinc/97/00/29/531970029.db2.gz BVBUOVQGAVXKHL-MRXNPFEDSA-N 0 3 382.917 1.612 20 30 GDEDHN N#CC1(C[C@@H](O)C[NH2+]CC[N-]S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000600742462 532053662 /nfs/dbraw/zinc/05/36/62/532053662.db2.gz WFWLVQXZKRURRA-GFCCVEGCSA-N 0 3 375.853 1.402 20 30 GDEDHN Cn1cc(C[NH2+]C2CCN(CC#N)CC2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826361163 609338940 /nfs/dbraw/zinc/33/89/40/609338940.db2.gz NSWMQRBPVBEBPY-UHFFFAOYSA-N 0 3 377.456 1.345 20 30 GDEDHN Cn1cc(C[NH2+]C2CCN(CC#N)CC2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826361163 609338942 /nfs/dbraw/zinc/33/89/42/609338942.db2.gz NSWMQRBPVBEBPY-UHFFFAOYSA-N 0 3 377.456 1.345 20 30 GDEDHN Cn1c(SCC(=O)C(C#N)C(=O)N2CCCC2)nnc1-c1cccs1 ZINC000170672232 644870920 /nfs/dbraw/zinc/87/09/20/644870920.db2.gz BSYQUBUOMQBEDP-LLVKDONJSA-N 0 3 375.479 1.967 20 30 GDEDHN COCCCNC(=O)C(C#N)C(=O)Cc1cc(OC)ccc1Br ZINC000179456110 644932815 /nfs/dbraw/zinc/93/28/15/644932815.db2.gz QCCZFMXRAOKTOA-CYBMUJFWSA-N 0 3 383.242 1.862 20 30 GDEDHN CC(C)NC(=O)C(C#N)C(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000916952536 660203822 /nfs/dbraw/zinc/20/38/22/660203822.db2.gz XABVCRXKBHATSO-NSHDSACASA-N 0 3 394.225 1.408 20 30 GDEDHN N#Cc1c(Br)cccc1OCC(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000579492175 651862658 /nfs/dbraw/zinc/86/26/58/651862658.db2.gz BWIIZXLPXBYTKR-QGZVFWFLSA-N 0 3 394.269 1.272 20 30 GDEDHN N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000593733026 652245710 /nfs/dbraw/zinc/24/57/10/652245710.db2.gz UXHMVUPVIGJGPK-INIZCTEOSA-N 0 3 380.286 1.826 20 30 GDEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1c(Br)nnn1C ZINC000811883952 655206399 /nfs/dbraw/zinc/20/63/99/655206399.db2.gz XZIULDZAPMGBIF-UHFFFAOYSA-N 0 3 391.273 1.653 20 30 GDEDHN C#CCN(C)CCCNC(=O)NCc1cc(Cl)cc(S(=O)(=O)CC)c1 ZINC000840379130 655286003 /nfs/dbraw/zinc/28/60/03/655286003.db2.gz IHSNBWPUKMANNO-UHFFFAOYSA-N 0 3 385.917 1.888 20 30 GDEDHN C=CCS(=O)(=O)CCNC[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000819223380 655388329 /nfs/dbraw/zinc/38/83/29/655388329.db2.gz ZSJNTOZERAIPKI-KRWDZBQOSA-N 0 3 376.519 1.329 20 30 GDEDHN N#Cc1ncc(Br)cc1N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000853454727 655640006 /nfs/dbraw/zinc/64/00/06/655640006.db2.gz XHXNBXDGQGCYIS-AWEZNQCLSA-N 0 3 378.274 1.634 20 30 GDEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000854664022 655673723 /nfs/dbraw/zinc/67/37/23/655673723.db2.gz KQPZMHJHUMGVBK-CVEARBPZSA-N 0 3 380.286 1.993 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000876602564 656616590 /nfs/dbraw/zinc/61/65/90/656616590.db2.gz BQSGYYMSZXPPNM-HNNXBMFYSA-N 0 3 389.880 1.565 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000876875203 656636489 /nfs/dbraw/zinc/63/64/89/656636489.db2.gz RJKHQCAEVZJBCM-CABCVRRESA-N 0 3 385.295 1.481 20 30 GDEDHN C#CCN(C)CCCNC(=O)Nc1cccc(C(=O)NC)c1Br ZINC000931406435 657098797 /nfs/dbraw/zinc/09/87/97/657098797.db2.gz PCTCEINVORZIJJ-UHFFFAOYSA-N 0 3 381.274 1.885 20 30 GDEDHN N#Cc1nc(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)ccc1Br ZINC000932158592 657153819 /nfs/dbraw/zinc/15/38/19/657153819.db2.gz LSMFUTKMNXVLEH-ZIAGYGMSSA-N 0 3 394.273 1.779 20 30 GDEDHN C[C@H](CNC(=O)Nc1ccc(Br)c(C#N)n1)CN1CCN(C)CC1 ZINC000883079921 657268014 /nfs/dbraw/zinc/26/80/14/657268014.db2.gz KHELZCGEDPYRDX-GFCCVEGCSA-N 0 3 395.305 1.721 20 30 GDEDHN C#CCN(C(=O)c1ccc(I)cn1)C1CCN(C)CC1 ZINC000886574637 657676833 /nfs/dbraw/zinc/67/68/33/657676833.db2.gz NHIXCKUSESCRNT-UHFFFAOYSA-N 0 3 383.233 1.856 20 30 GDEDHN CN1C[C@@H]2CN(S(=O)(=O)c3ccc(Br)c(C#N)c3)C[C@]2(C)C1 ZINC000907558896 659783330 /nfs/dbraw/zinc/78/33/30/659783330.db2.gz YREUYKHLUKVSRO-DOMZBBRYSA-N 0 3 384.299 1.893 20 30 GDEDHN N#Cc1cccc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC001571298121 946205735 /nfs/dbraw/zinc/20/57/35/946205735.db2.gz AFAMVKXFPVBYAX-CVEARBPZSA-N 0 3 390.451 1.755 20 30 GDEDHN N#Cc1cccc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC001571298121 946205741 /nfs/dbraw/zinc/20/57/41/946205741.db2.gz AFAMVKXFPVBYAX-CVEARBPZSA-N 0 3 390.451 1.755 20 30 GDEDHN C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001571299856 946263872 /nfs/dbraw/zinc/26/38/72/946263872.db2.gz WSTNLCKQLUDVKW-BBRMVZONSA-N 0 3 390.451 1.849 20 30 GDEDHN C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001571299856 946263878 /nfs/dbraw/zinc/26/38/78/946263878.db2.gz WSTNLCKQLUDVKW-BBRMVZONSA-N 0 3 390.451 1.849 20 30 GDEDHN C#CCO[C@H](C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573285189 946769911 /nfs/dbraw/zinc/76/99/11/946769911.db2.gz DYEVJCNTWALOTM-CVEARBPZSA-N 0 3 382.468 1.185 20 30 GDEDHN C#CCO[C@H](C)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573285189 946769919 /nfs/dbraw/zinc/76/99/19/946769919.db2.gz DYEVJCNTWALOTM-CVEARBPZSA-N 0 3 382.468 1.185 20 30 GDEDHN C#CCO[C@H](C)C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573285189 946769928 /nfs/dbraw/zinc/76/99/28/946769928.db2.gz DYEVJCNTWALOTM-CVEARBPZSA-N 0 3 382.468 1.185 20 30 GDEDHN C#CCO[C@H](C)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573285189 946769932 /nfs/dbraw/zinc/76/99/32/946769932.db2.gz DYEVJCNTWALOTM-CVEARBPZSA-N 0 3 382.468 1.185 20 30 GDEDHN C#CCO[C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573286498 946808892 /nfs/dbraw/zinc/80/88/92/946808892.db2.gz CPNDZZVJABDWDX-QAPCUYQASA-N 0 3 382.468 1.376 20 30 GDEDHN C#CCO[C@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573286498 946808898 /nfs/dbraw/zinc/80/88/98/946808898.db2.gz CPNDZZVJABDWDX-QAPCUYQASA-N 0 3 382.468 1.376 20 30 GDEDHN C#CCO[C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573286498 946808904 /nfs/dbraw/zinc/80/89/04/946808904.db2.gz CPNDZZVJABDWDX-QAPCUYQASA-N 0 3 382.468 1.376 20 30 GDEDHN C#CCO[C@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573286498 946808910 /nfs/dbraw/zinc/80/89/10/946808910.db2.gz CPNDZZVJABDWDX-QAPCUYQASA-N 0 3 382.468 1.376 20 30 GDEDHN C#Cc1ccc(C(=O)N(CCO)CC[NH2+]Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001573287305 946833105 /nfs/dbraw/zinc/83/31/05/946833105.db2.gz AWAGUFPNKWNVPL-UHFFFAOYSA-N 0 3 390.447 1.072 20 30 GDEDHN C#Cc1ccc(C(=O)N(CCO)CC[NH2+]Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001573287305 946833113 /nfs/dbraw/zinc/83/31/13/946833113.db2.gz AWAGUFPNKWNVPL-UHFFFAOYSA-N 0 3 390.447 1.072 20 30 GDEDHN C#CCOCCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573288634 946872261 /nfs/dbraw/zinc/87/22/61/946872261.db2.gz WOHMERISKAZMGH-WMZOPIPTSA-N 0 3 382.468 1.281 20 30 GDEDHN C#CCOCCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573288634 946872272 /nfs/dbraw/zinc/87/22/72/946872272.db2.gz WOHMERISKAZMGH-WMZOPIPTSA-N 0 3 382.468 1.281 20 30 GDEDHN C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC001573290552 946907688 /nfs/dbraw/zinc/90/76/88/946907688.db2.gz LMAOFHBBPZPLLJ-AUUYWEPGSA-N 0 3 387.447 1.493 20 30 GDEDHN C#Cc1cncc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC001573290552 946907697 /nfs/dbraw/zinc/90/76/97/946907697.db2.gz LMAOFHBBPZPLLJ-AUUYWEPGSA-N 0 3 387.447 1.493 20 30 GDEDHN C=C(Br)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573291831 946924216 /nfs/dbraw/zinc/92/42/16/946924216.db2.gz KBYPNINKMMVCJY-NXEZZACHSA-N 0 3 382.266 1.590 20 30 GDEDHN C=C(Br)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573291831 946924219 /nfs/dbraw/zinc/92/42/19/946924219.db2.gz KBYPNINKMMVCJY-NXEZZACHSA-N 0 3 382.266 1.590 20 30 GDEDHN C#Cc1cncc(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)[C@@H]2C)c1 ZINC001573292253 946931067 /nfs/dbraw/zinc/93/10/67/946931067.db2.gz QVAXOVCBWUHKSC-LIRRHRJNSA-N 0 3 387.447 1.636 20 30 GDEDHN C#Cc1cncc(C(=O)N2CC[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)[C@@H]2C)c1 ZINC001573292253 946931071 /nfs/dbraw/zinc/93/10/71/946931071.db2.gz QVAXOVCBWUHKSC-LIRRHRJNSA-N 0 3 387.447 1.636 20 30 GDEDHN C=C(Br)CN[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C(C)C ZINC001573292636 946935048 /nfs/dbraw/zinc/93/50/48/946935048.db2.gz YVRHAVNROWTEPT-LBPRGKRZSA-N 0 3 382.266 1.447 20 30 GDEDHN C[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)C1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001573563707 946985986 /nfs/dbraw/zinc/98/59/86/946985986.db2.gz CIESTQOPQXSBDP-QWHCGFSZSA-N 0 3 385.447 1.882 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC([C@H](C)[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC001573564138 946989683 /nfs/dbraw/zinc/98/96/83/946989683.db2.gz GNADRPGJZUCSML-OLZOCXBDSA-N 0 3 385.447 1.882 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC([C@H](C)[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC001573564138 946989690 /nfs/dbraw/zinc/98/96/90/946989690.db2.gz GNADRPGJZUCSML-OLZOCXBDSA-N 0 3 385.447 1.882 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573566587 947028257 /nfs/dbraw/zinc/02/82/57/947028257.db2.gz DIIYUYXRWFPAPE-HIFRSBDPSA-N 0 3 385.447 1.978 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573566587 947028269 /nfs/dbraw/zinc/02/82/69/947028269.db2.gz DIIYUYXRWFPAPE-HIFRSBDPSA-N 0 3 385.447 1.978 20 30 GDEDHN C[C@H](C#N)C(=O)N1C[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)c(F)c3)C[C@@]2(C)C1 ZINC001573570613 947092623 /nfs/dbraw/zinc/09/26/23/947092623.db2.gz RGKDYGKABFLQDD-TVZGQMOCSA-N 0 3 383.431 1.446 20 30 GDEDHN C[C@H](C#N)C(=O)N1C[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)c(F)c3)C[C@@]2(C)C1 ZINC001573570613 947092634 /nfs/dbraw/zinc/09/26/34/947092634.db2.gz RGKDYGKABFLQDD-TVZGQMOCSA-N 0 3 383.431 1.446 20 30 GDEDHN C[C@H](C#N)C(=O)NC1(C2CC[NH+](Cc3cccc(-c4nnn[n-]4)c3)CC2)CC1 ZINC001573575680 947140661 /nfs/dbraw/zinc/14/06/61/947140661.db2.gz ZHSWPWRQGMWXIO-CQSZACIVSA-N 0 3 379.468 1.887 20 30 GDEDHN C[C@H](C#N)C(=O)N[C@@H](C)C1CC[NH+](Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573584686 947229576 /nfs/dbraw/zinc/22/95/76/947229576.db2.gz BQFYLOMFKBGBTE-OLZOCXBDSA-N 0 3 385.447 1.882 20 30 GDEDHN C=CCCOCC(=O)N1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C[C@H]1C ZINC001573335742 947487455 /nfs/dbraw/zinc/48/74/55/947487455.db2.gz CTSBPCQKMBCBCK-CJNGLKHVSA-N 0 3 388.447 1.678 20 30 GDEDHN C=CCCOCC(=O)N1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C[C@H]1C ZINC001573335742 947487473 /nfs/dbraw/zinc/48/74/73/947487473.db2.gz CTSBPCQKMBCBCK-CJNGLKHVSA-N 0 3 388.447 1.678 20 30 GDEDHN C=CCCO[C@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573336106 947500842 /nfs/dbraw/zinc/50/08/42/947500842.db2.gz INYUUHKERDMSJU-NVXWUHKLSA-N 0 3 384.484 1.786 20 30 GDEDHN C=CCCO[C@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573336106 947500853 /nfs/dbraw/zinc/50/08/53/947500853.db2.gz INYUUHKERDMSJU-NVXWUHKLSA-N 0 3 384.484 1.786 20 30 GDEDHN C=CCCO[C@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573336106 947500863 /nfs/dbraw/zinc/50/08/63/947500863.db2.gz INYUUHKERDMSJU-NVXWUHKLSA-N 0 3 384.484 1.786 20 30 GDEDHN C=CCCO[C@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573336106 947500876 /nfs/dbraw/zinc/50/08/76/947500876.db2.gz INYUUHKERDMSJU-NVXWUHKLSA-N 0 3 384.484 1.786 20 30 GDEDHN C=CCCOCC(=O)N1CCC(C)([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573337596 947517716 /nfs/dbraw/zinc/51/77/16/947517716.db2.gz YTNDOOVYNVXKKQ-UHFFFAOYSA-N 0 3 384.484 1.930 20 30 GDEDHN C=CCCOCC(=O)N1CCC(C)([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573337596 947517725 /nfs/dbraw/zinc/51/77/25/947517725.db2.gz YTNDOOVYNVXKKQ-UHFFFAOYSA-N 0 3 384.484 1.930 20 30 GDEDHN C=CCOCC(=O)NC[C@]1(C)CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573342800 947546651 /nfs/dbraw/zinc/54/66/51/947546651.db2.gz DVNRORRSXDGUBA-FQEVSTJZSA-N 0 3 384.484 1.788 20 30 GDEDHN C=CCOCC(=O)NC[C@]1(C)CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573342800 947546659 /nfs/dbraw/zinc/54/66/59/947546659.db2.gz DVNRORRSXDGUBA-FQEVSTJZSA-N 0 3 384.484 1.788 20 30 GDEDHN C=CCOCC(=O)NC[C@]1(C)CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573342800 947546667 /nfs/dbraw/zinc/54/66/67/947546667.db2.gz DVNRORRSXDGUBA-FQEVSTJZSA-N 0 3 384.484 1.788 20 30 GDEDHN C=CCOCC(=O)NC[C@]1(C)CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573342800 947546674 /nfs/dbraw/zinc/54/66/74/947546674.db2.gz DVNRORRSXDGUBA-FQEVSTJZSA-N 0 3 384.484 1.788 20 30 GDEDHN C=CCOCC(=O)NCCC1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573343494 947559169 /nfs/dbraw/zinc/55/91/69/947559169.db2.gz PXTBPJYKZIBVDV-UHFFFAOYSA-N 0 3 384.484 1.788 20 30 GDEDHN C=CCOCC(=O)NCCC1CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573343494 947559173 /nfs/dbraw/zinc/55/91/73/947559173.db2.gz PXTBPJYKZIBVDV-UHFFFAOYSA-N 0 3 384.484 1.788 20 30 GDEDHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575907801 950341862 /nfs/dbraw/zinc/34/18/62/950341862.db2.gz QWLUYYOMUPIAMF-SJCJKPOMSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575907801 950341883 /nfs/dbraw/zinc/34/18/83/950341883.db2.gz QWLUYYOMUPIAMF-SJCJKPOMSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575908138 950356062 /nfs/dbraw/zinc/35/60/62/950356062.db2.gz AMTRCCVQAIWPLD-PXAZEXFGSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575908138 950356076 /nfs/dbraw/zinc/35/60/76/950356076.db2.gz AMTRCCVQAIWPLD-PXAZEXFGSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575908481 950366539 /nfs/dbraw/zinc/36/65/39/950366539.db2.gz CFKHZJXXYGOCIO-LRDDRELGSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575908481 950366560 /nfs/dbraw/zinc/36/65/60/950366560.db2.gz CFKHZJXXYGOCIO-LRDDRELGSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@H](CNCc1cc(F)ccc1C#N)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575081226 951721122 /nfs/dbraw/zinc/72/11/22/951721122.db2.gz QELQSRXQBMTTHS-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@@](C[NH2+]Cc1ccc(C#N)cc1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575101658 951861232 /nfs/dbraw/zinc/86/12/32/951861232.db2.gz HZYKQLNFNADDPC-FQEVSTJZSA-N 0 3 390.451 1.755 20 30 GDEDHN C[C@@](C[NH2+]Cc1ccc(C#N)cc1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575101658 951861244 /nfs/dbraw/zinc/86/12/44/951861244.db2.gz HZYKQLNFNADDPC-FQEVSTJZSA-N 0 3 390.451 1.755 20 30 GDEDHN C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001575105427 951894208 /nfs/dbraw/zinc/89/42/08/951894208.db2.gz JGQZWROLHGVZFR-NSHDSACASA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001575105427 951894212 /nfs/dbraw/zinc/89/42/12/951894212.db2.gz JGQZWROLHGVZFR-NSHDSACASA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@@](C[NH2+]Cc1cccc(C#N)c1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575113453 951940790 /nfs/dbraw/zinc/94/07/90/951940790.db2.gz BOVOZZKIRLYBFH-FQEVSTJZSA-N 0 3 390.451 1.755 20 30 GDEDHN C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571120676 952506966 /nfs/dbraw/zinc/50/69/66/952506966.db2.gz PDCOZECRJAUSBJ-YVEFUNNKSA-N 0 3 376.424 1.317 20 30 GDEDHN C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571120676 952506975 /nfs/dbraw/zinc/50/69/75/952506975.db2.gz PDCOZECRJAUSBJ-YVEFUNNKSA-N 0 3 376.424 1.317 20 30 GDEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(C)nc2Br)CC1 ZINC000179778953 530749951 /nfs/dbraw/zinc/74/99/51/530749951.db2.gz YPASYRIRVHYSIR-UHFFFAOYSA-N 0 3 381.274 1.858 20 30 GDEDHN CN(CCN(C)S(=O)(=O)c1ccc(Cl)c(C#N)c1)C1CCN(C)CC1 ZINC000097000109 530818914 /nfs/dbraw/zinc/81/89/14/530818914.db2.gz DYQOVKNKYNAWTL-UHFFFAOYSA-N 0 3 384.933 1.858 20 30 GDEDHN CN(C)CCN1C[C@@H](C(=O)N[C@@H](C#N)c2ccc(Br)cc2)CC1=O ZINC000266860362 531373497 /nfs/dbraw/zinc/37/34/97/531373497.db2.gz UPSVZFOHEGMIOR-ZFWWWQNUSA-N 0 3 393.285 1.540 20 30 GDEDHN C[C@@H](CNC(=O)c1cccc(C#N)c1Br)CN1CCN(C)CC1 ZINC000448974138 531463928 /nfs/dbraw/zinc/46/39/28/531463928.db2.gz AFOCUQRNOUPWAZ-ZDUSSCGKSA-N 0 3 379.302 1.934 20 30 GDEDHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000559823226 531610540 /nfs/dbraw/zinc/61/05/40/531610540.db2.gz SAFMJTKHNCGJIJ-UHFFFAOYSA-N 0 3 379.258 1.812 20 30 GDEDHN C=CCCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000467287486 532060854 /nfs/dbraw/zinc/06/08/54/532060854.db2.gz HZPFVBQURGGYON-UHFFFAOYSA-N 0 3 385.917 1.681 20 30 GDEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735426385 598361515 /nfs/dbraw/zinc/36/15/15/598361515.db2.gz QHJGNQXRYNSPAN-SFHVURJKSA-N 0 3 381.484 1.602 20 30 GDEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000819745635 606160823 /nfs/dbraw/zinc/16/08/23/606160823.db2.gz NDADNCSSJLBNEL-UHFFFAOYSA-N 0 3 395.471 1.845 20 30 GDEDHN Cn1cc(-c2nnn[n-]2)cc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000821586083 606253036 /nfs/dbraw/zinc/25/30/36/606253036.db2.gz IZGCBISXGHPKSX-UHFFFAOYSA-N 0 3 378.440 1.281 20 30 GDEDHN Cn1cc(-c2nn[n-]n2)cc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000821586083 606253037 /nfs/dbraw/zinc/25/30/37/606253037.db2.gz IZGCBISXGHPKSX-UHFFFAOYSA-N 0 3 378.440 1.281 20 30 GDEDHN Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000329891596 645335490 /nfs/dbraw/zinc/33/54/90/645335490.db2.gz ICMMMDBYDUJSRF-FOGDFJRCSA-N 0 3 390.531 1.653 20 30 GDEDHN CN(C(=O)[C@@H](N)CCCCC#N)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000594445863 652286075 /nfs/dbraw/zinc/28/60/75/652286075.db2.gz LQWHCBUJWCARFP-KBPBESRZSA-N 0 3 381.274 1.845 20 30 GDEDHN COCCN(C)CCN1C[C@@H](Nc2ncc(Br)cc2C#N)CC1=O ZINC000601178100 652564818 /nfs/dbraw/zinc/56/48/18/652564818.db2.gz LHEPCRZQWCWBAH-AWEZNQCLSA-N 0 3 396.289 1.307 20 30 GDEDHN CN1CCC2(CC1)CC(=O)NN(c1cc(C#N)ccc1Br)C2=O ZINC000601945871 652611228 /nfs/dbraw/zinc/61/12/28/652611228.db2.gz BYDVBAHXZHLREG-UHFFFAOYSA-N 0 3 377.242 1.801 20 30 GDEDHN C=C(C)COCCN[C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000773057046 654579339 /nfs/dbraw/zinc/57/93/39/654579339.db2.gz CAECVDDMLNIWFH-AWEZNQCLSA-N 0 3 390.527 1.656 20 30 GDEDHN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000736321719 654591646 /nfs/dbraw/zinc/59/16/46/654591646.db2.gz ASVYBVPGVWDPMJ-UPJWGTAASA-N 0 3 377.491 1.980 20 30 GDEDHN COCCNC(=O)C(C#N)C(=O)COc1cccc(Br)c1C#N ZINC000835061845 655084543 /nfs/dbraw/zinc/08/45/43/655084543.db2.gz PRJYOYXESXMSDD-NSHDSACASA-N 0 3 380.198 1.171 20 30 GDEDHN CS(=O)(=O)[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000763911999 655204685 /nfs/dbraw/zinc/20/46/85/655204685.db2.gz JTZRUNBUUDHOLV-STQMWFEESA-N 0 3 377.491 1.982 20 30 GDEDHN CN1CC[C@@H](C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)S1(=O)=O ZINC000842690121 655371311 /nfs/dbraw/zinc/37/13/11/655371311.db2.gz OUETZKYJLWXQHF-RYUDHWBXSA-N 0 3 390.248 1.675 20 30 GDEDHN C=CCNS(=O)(=O)c1ccc(CC(=O)N(CCC)[C@@H]2CCN(C)C2)s1 ZINC000824020955 655470475 /nfs/dbraw/zinc/47/04/75/655470475.db2.gz DNYIUVNHSWFFQJ-CQSZACIVSA-N 0 3 385.555 1.698 20 30 GDEDHN N#CCCCC[C@H](N)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000848398863 655489256 /nfs/dbraw/zinc/48/92/56/655489256.db2.gz GGOYUQQSWUGKSJ-LBPRGKRZSA-N 0 3 384.424 1.075 20 30 GDEDHN N#CCCCC[C@@H](N)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000848398854 655489273 /nfs/dbraw/zinc/48/92/73/655489273.db2.gz GGOYUQQSWUGKSJ-GFCCVEGCSA-N 0 3 384.424 1.075 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000876557918 656614043 /nfs/dbraw/zinc/61/40/43/656614043.db2.gz GHNZMKXHSPRRTO-CYBMUJFWSA-N 0 3 392.308 1.643 20 30 GDEDHN C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)CN1CCCC1 ZINC000879991351 656851591 /nfs/dbraw/zinc/85/15/91/656851591.db2.gz WQBZEAZLHJPKTN-KBPBESRZSA-N 0 3 375.897 1.595 20 30 GDEDHN C#CCN(C(=O)c1c(Br)nc2n1CCOC2)C1CCN(C)CC1 ZINC000886573506 657677010 /nfs/dbraw/zinc/67/70/10/657677010.db2.gz LKNYVRGEWYLXNQ-UHFFFAOYSA-N 0 3 381.274 1.345 20 30 GDEDHN N#Cc1cc(S(=O)(=O)N[C@H]2CNCCC2(F)F)ccc1Br ZINC000903499494 659319498 /nfs/dbraw/zinc/31/94/98/659319498.db2.gz KMAQIIKYJHYDHP-NSHDSACASA-N 0 3 380.214 1.596 20 30 GDEDHN C=CCNC(=O)c1cccnc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737146 720760559 /nfs/dbraw/zinc/76/05/59/720760559.db2.gz ABCSADXDIWHSJY-CVEARBPZSA-N 0 3 380.452 1.129 20 30 GDEDHN COC(=O)c1cc(C#N)cnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880414 721178376 /nfs/dbraw/zinc/17/83/76/721178376.db2.gz WKHMYHYKMMAIMQ-MSOLQXFVSA-N 0 3 393.447 1.615 20 30 GDEDHN N#Cc1c[nH]c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC001571298127 946206176 /nfs/dbraw/zinc/20/61/76/946206176.db2.gz AILJYAVTKICZGN-WMLDXEAASA-N 0 3 390.451 1.755 20 30 GDEDHN N#Cc1c[nH]c(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC001571298127 946206189 /nfs/dbraw/zinc/20/61/89/946206189.db2.gz AILJYAVTKICZGN-WMLDXEAASA-N 0 3 390.451 1.755 20 30 GDEDHN C#CCO[C@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573285568 946782573 /nfs/dbraw/zinc/78/25/73/946782573.db2.gz IYAWATSUDNPWKI-UKRRQHHQSA-N 0 3 386.431 1.125 20 30 GDEDHN C#CCOCCC(=O)N1C[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C(C)(C)C1 ZINC001573287593 946840460 /nfs/dbraw/zinc/84/04/60/946840460.db2.gz NWKHOJGRMSILBI-QGZVFWFLSA-N 0 3 382.468 1.233 20 30 GDEDHN C#CCOCCC(=O)N1C[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC001573287593 946840468 /nfs/dbraw/zinc/84/04/68/946840468.db2.gz NWKHOJGRMSILBI-QGZVFWFLSA-N 0 3 382.468 1.233 20 30 GDEDHN C#CCOCCC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573288498 946867921 /nfs/dbraw/zinc/86/79/21/946867921.db2.gz UVSRXOCCVMVUJJ-QGZVFWFLSA-N 0 3 382.468 1.235 20 30 GDEDHN C#CCOCCC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573288498 946867933 /nfs/dbraw/zinc/86/79/33/946867933.db2.gz UVSRXOCCVMVUJJ-QGZVFWFLSA-N 0 3 382.468 1.235 20 30 GDEDHN C#CCOCCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC001573288770 946877790 /nfs/dbraw/zinc/87/77/90/946877790.db2.gz YKBSTVHKRUPBOV-CRAIPNDOSA-N 0 3 382.468 1.233 20 30 GDEDHN C#CCOCCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC001573288770 946877799 /nfs/dbraw/zinc/87/77/99/946877799.db2.gz YKBSTVHKRUPBOV-CRAIPNDOSA-N 0 3 382.468 1.233 20 30 GDEDHN C=C(Br)CNC[C@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC1 ZINC001573293512 946960587 /nfs/dbraw/zinc/96/05/87/946960587.db2.gz YPHZABZMWZSFEC-LBPRGKRZSA-N 0 3 380.250 1.201 20 30 GDEDHN C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]21 ZINC001573295898 947031729 /nfs/dbraw/zinc/03/17/29/947031729.db2.gz WGSONNGXJRAGDS-FPMFFAJLSA-N 0 3 375.864 1.778 20 30 GDEDHN C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]21 ZINC001573295898 947031744 /nfs/dbraw/zinc/03/17/44/947031744.db2.gz WGSONNGXJRAGDS-FPMFFAJLSA-N 0 3 375.864 1.778 20 30 GDEDHN C[C@H](C#N)C(=O)NC1(C2CC[NH+](Cc3ccccc3-c3nnn[n-]3)CC2)CC1 ZINC001573575590 947140960 /nfs/dbraw/zinc/14/09/60/947140960.db2.gz YZNPCYUPTWEMAR-CQSZACIVSA-N 0 3 379.468 1.887 20 30 GDEDHN C=CCOCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573344030 947566250 /nfs/dbraw/zinc/56/62/50/947566250.db2.gz WXFOUYJMCVSVKC-MSOLQXFVSA-N 0 3 382.468 1.635 20 30 GDEDHN C=CCOCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573344030 947566260 /nfs/dbraw/zinc/56/62/60/947566260.db2.gz WXFOUYJMCVSVKC-MSOLQXFVSA-N 0 3 382.468 1.635 20 30 GDEDHN C=CCOCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573344030 947566271 /nfs/dbraw/zinc/56/62/71/947566271.db2.gz WXFOUYJMCVSVKC-MSOLQXFVSA-N 0 3 382.468 1.635 20 30 GDEDHN C=CCOCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573344030 947566284 /nfs/dbraw/zinc/56/62/84/947566284.db2.gz WXFOUYJMCVSVKC-MSOLQXFVSA-N 0 3 382.468 1.635 20 30 GDEDHN C=CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573344007 947566764 /nfs/dbraw/zinc/56/67/64/947566764.db2.gz WDCVTCJRDBTKOR-IAGOWNOFSA-N 0 3 388.447 1.725 20 30 GDEDHN C=CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573344007 947566767 /nfs/dbraw/zinc/56/67/67/947566767.db2.gz WDCVTCJRDBTKOR-IAGOWNOFSA-N 0 3 388.447 1.725 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573350981 947606267 /nfs/dbraw/zinc/60/62/67/947606267.db2.gz MSQIHZUGKRATGI-JLZZUVOBSA-N 0 3 388.447 1.439 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573350981 947606275 /nfs/dbraw/zinc/60/62/75/947606275.db2.gz MSQIHZUGKRATGI-JLZZUVOBSA-N 0 3 388.447 1.439 20 30 GDEDHN C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574983024 950196872 /nfs/dbraw/zinc/19/68/72/950196872.db2.gz JPEXZRUWGADRHQ-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574983024 950196885 /nfs/dbraw/zinc/19/68/85/950196885.db2.gz JPEXZRUWGADRHQ-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@H](C[C@@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574530722 950997895 /nfs/dbraw/zinc/99/78/95/950997895.db2.gz WHNRHHRKNDGTSC-CHWSQXEVSA-N 0 3 378.440 1.753 20 30 GDEDHN C[C@H](C[C@@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574530722 950997910 /nfs/dbraw/zinc/99/79/10/950997910.db2.gz WHNRHHRKNDGTSC-CHWSQXEVSA-N 0 3 378.440 1.753 20 30 GDEDHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]Cc1cc(C#N)ccc1F ZINC001575078278 951679934 /nfs/dbraw/zinc/67/99/34/951679934.db2.gz LCBLNQOPPYHYBZ-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@@](C[NH2+]Cc1ccc(C#N)cc1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575102693 951869440 /nfs/dbraw/zinc/86/94/40/951869440.db2.gz ONNZDVDXPWMMLA-FQEVSTJZSA-N 0 3 390.451 1.755 20 30 GDEDHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]Cc1ccc(C#N)cc1F ZINC001575103052 951873159 /nfs/dbraw/zinc/87/31/59/951873159.db2.gz RNDPWBRZPQTGKH-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]Cc1ccc(C#N)cc1F ZINC001575104350 951886402 /nfs/dbraw/zinc/88/64/02/951886402.db2.gz ZVAUJNXLZKOFMP-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@@](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)(NC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC001575105810 951899264 /nfs/dbraw/zinc/89/92/64/951899264.db2.gz NVFDWFWBGJPFEA-FQEVSTJZSA-N 0 3 390.451 1.755 20 30 GDEDHN C[C@@](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)(NC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC001575105810 951899276 /nfs/dbraw/zinc/89/92/76/951899276.db2.gz NVFDWFWBGJPFEA-FQEVSTJZSA-N 0 3 390.451 1.755 20 30 GDEDHN N#Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)ccc1F ZINC001571155739 952700179 /nfs/dbraw/zinc/70/01/79/952700179.db2.gz YQSVYDBXBYRMNY-OKILXGFUSA-N 0 3 380.387 1.256 20 30 GDEDHN N#Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)ccc1F ZINC001571155739 952700182 /nfs/dbraw/zinc/70/01/82/952700182.db2.gz YQSVYDBXBYRMNY-OKILXGFUSA-N 0 3 380.387 1.256 20 30 GDEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CC1 ZINC000171716544 530602022 /nfs/dbraw/zinc/60/20/22/530602022.db2.gz IMBMIOXHRUPARV-HNNXBMFYSA-N 0 3 383.539 1.668 20 30 GDEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(Br)cn2)CC1 ZINC000193203889 530981698 /nfs/dbraw/zinc/98/16/98/530981698.db2.gz LEWIDILGRBSFNV-UHFFFAOYSA-N 0 3 381.274 1.939 20 30 GDEDHN CCN(CC)CCN(CCC(F)(F)F)S(=O)(=O)N1CCO[C@H](C#N)C1 ZINC000409510688 531255407 /nfs/dbraw/zinc/25/54/07/531255407.db2.gz CHASKZABUDXCGX-CYBMUJFWSA-N 0 3 386.440 1.052 20 30 GDEDHN C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCCNCC1 ZINC000415314578 531474595 /nfs/dbraw/zinc/47/45/95/531474595.db2.gz XTMCUCZQGSOXFT-UHFFFAOYSA-N 0 3 382.258 1.774 20 30 GDEDHN C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000415869508 531546794 /nfs/dbraw/zinc/54/67/94/531546794.db2.gz RMGUHJLRVIOUAI-GFCCVEGCSA-N 0 3 398.257 1.057 20 30 GDEDHN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)C1CC1 ZINC000559628620 531606514 /nfs/dbraw/zinc/60/65/14/531606514.db2.gz ORLGQGHTSSQGOA-CQSZACIVSA-N 0 3 379.258 1.716 20 30 GDEDHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3cccc(C#N)c3Br)[C@@H]2C1 ZINC000591415332 531722102 /nfs/dbraw/zinc/72/21/02/531722102.db2.gz QPSQCMLMEUUGKA-DGCLKSJQSA-N 0 3 377.242 1.422 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCCCS(C)(=O)=O)cc1 ZINC000591866650 531743098 /nfs/dbraw/zinc/74/30/98/531743098.db2.gz OPDZFAJZTRPMKJ-LBPRGKRZSA-N 0 3 387.483 1.319 20 30 GDEDHN C[C@H](CNC(=O)Cc1ccc(Br)cc1C#N)CN1CCN(C)CC1 ZINC000593467291 531835675 /nfs/dbraw/zinc/83/56/75/531835675.db2.gz NXDBUCIOYVKXSK-CQSZACIVSA-N 0 3 393.329 1.863 20 30 GDEDHN C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)c1 ZINC000270449588 531870934 /nfs/dbraw/zinc/87/09/34/531870934.db2.gz JCLXULLOFVGCQB-HOTGVXAUSA-N 0 3 383.539 1.269 20 30 GDEDHN CC(C)(C#N)C[C@H](O)C[NH2+]CC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000598724081 531993312 /nfs/dbraw/zinc/99/33/12/531993312.db2.gz LXJQONGWDXFSRJ-LBPRGKRZSA-N 0 3 377.869 1.648 20 30 GDEDHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000554579143 650678115 /nfs/dbraw/zinc/67/81/15/650678115.db2.gz RXSOSFMGUWMYFM-NSHDSACASA-N 0 3 379.258 1.717 20 30 GDEDHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000555969230 650697899 /nfs/dbraw/zinc/69/78/99/650697899.db2.gz GWPGUFMZGDJXON-NSHDSACASA-N 0 3 379.258 1.717 20 30 GDEDHN C[C@H](NC(=O)c1ccc(Br)s1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000129619120 644735459 /nfs/dbraw/zinc/73/54/59/644735459.db2.gz JCNDVWZCPVUNML-CBAPKCEASA-N 0 3 384.255 1.616 20 30 GDEDHN C=C(Br)CNC(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000187135393 644997575 /nfs/dbraw/zinc/99/75/75/644997575.db2.gz FABGUBQNAIHZBT-UHFFFAOYSA-N 0 3 395.301 1.792 20 30 GDEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000327978187 645270282 /nfs/dbraw/zinc/27/02/82/645270282.db2.gz IARJZOCQAXAVOC-UHFFFAOYSA-N 0 3 375.288 1.691 20 30 GDEDHN CCN1CCC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000330687359 645400268 /nfs/dbraw/zinc/40/02/68/645400268.db2.gz TWMYKUQOQCDAGX-LLVKDONJSA-N 0 3 390.303 1.885 20 30 GDEDHN CN(C)C[C@H]1CN(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)CCO1 ZINC000330995017 645449461 /nfs/dbraw/zinc/44/94/61/645449461.db2.gz LUDVPAJKATVVQK-LBPRGKRZSA-N 0 3 375.878 1.551 20 30 GDEDHN N#Cc1c(Br)cccc1OCC(=O)NC[C@@H]1CCCCN1CCO ZINC000452382848 647321499 /nfs/dbraw/zinc/32/14/99/647321499.db2.gz YWRNDVOCKLOOCH-ZDUSSCGKSA-N 0 3 396.285 1.663 20 30 GDEDHN COCCN(C)C[C@@H](O)COc1ccc(C#N)cc1I ZINC000573505728 651481918 /nfs/dbraw/zinc/48/19/18/651481918.db2.gz LVEZXFUISPYRHB-GFCCVEGCSA-N 0 3 390.221 1.481 20 30 GDEDHN N#CCCCC[C@H](N)C(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000594444743 652285223 /nfs/dbraw/zinc/28/52/23/652285223.db2.gz CHMBVVVHZXQTAQ-LSDHHAIUSA-N 0 3 393.285 1.860 20 30 GDEDHN N#Cc1cc(N[C@H]2CCCN(CCN3CCOCC3)C2)ncc1Br ZINC000603422861 652714641 /nfs/dbraw/zinc/71/46/41/652714641.db2.gz KBFYOYVVBAEBSJ-HNNXBMFYSA-N 0 3 394.317 1.924 20 30 GDEDHN C#CCNC(=O)CN1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000830515060 654947799 /nfs/dbraw/zinc/94/77/99/654947799.db2.gz QRCAGAKESVOJGK-AWEZNQCLSA-N 0 3 382.245 1.905 20 30 GDEDHN CC1(C)CN(CC(=O)C(C#N)c2nc3ccccc3s2)CCS1(=O)=O ZINC000756909160 655029524 /nfs/dbraw/zinc/02/95/24/655029524.db2.gz XIMCJEMZHTVUKW-LBPRGKRZSA-N 0 3 377.491 1.982 20 30 GDEDHN CC[C@@H](Sc1ccccc1)C(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000842307363 655361682 /nfs/dbraw/zinc/36/16/82/655361682.db2.gz QXPCYWVPKJOTAO-LSDHHAIUSA-N 0 3 380.491 1.523 20 30 GDEDHN C#CCN(C)CCCNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000818593255 655376939 /nfs/dbraw/zinc/37/69/39/655376939.db2.gz RUSKNOMHWVECHP-MRXNPFEDSA-N 0 3 392.297 1.873 20 30 GDEDHN C#CCN(C)CCCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000843897199 655402732 /nfs/dbraw/zinc/40/27/32/655402732.db2.gz UBKVORRESQIMAA-UHFFFAOYSA-N 0 3 389.297 1.828 20 30 GDEDHN C#CCN(C)CCCNC(=O)c1ccc(Br)cc1-n1cnnn1 ZINC000857721136 655740097 /nfs/dbraw/zinc/74/00/97/655740097.db2.gz DVQXVTJWRZDEPR-UHFFFAOYSA-N 0 3 377.246 1.110 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000876595356 656616530 /nfs/dbraw/zinc/61/65/30/656616530.db2.gz FAHMXFLDUYFQCV-GFCCVEGCSA-N 0 3 377.919 1.487 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000876659295 656622241 /nfs/dbraw/zinc/62/22/41/656622241.db2.gz SLVVOBVDAPSYDU-SNVBAGLBSA-N 0 3 377.816 1.134 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000876746953 656627637 /nfs/dbraw/zinc/62/76/37/656627637.db2.gz YIXZBRTYSIEKGJ-OAHLLOKOSA-N 0 3 385.295 1.575 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000876902134 656638579 /nfs/dbraw/zinc/63/85/79/656638579.db2.gz MTTAMBHNQMZBGB-MRXNPFEDSA-N 0 3 385.917 1.698 20 30 GDEDHN C#CCC1(NCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)CCC1 ZINC000933301720 657268993 /nfs/dbraw/zinc/26/89/93/657268993.db2.gz JRUFZBHINPIYPE-HNNXBMFYSA-N 0 3 380.535 1.799 20 30 GDEDHN C#CCN(C(=O)c1cc2ncc(Br)cn2n1)C1CCN(C)CC1 ZINC000886572451 657676737 /nfs/dbraw/zinc/67/67/37/657676737.db2.gz MQKZBLAFOIZQPH-UHFFFAOYSA-N 0 3 376.258 1.661 20 30 GDEDHN C#CCN(C(=O)c1csc(I)n1)C1CCN(C)CC1 ZINC000886575873 657676962 /nfs/dbraw/zinc/67/69/62/657676962.db2.gz NKRKONKYLCAXDU-UHFFFAOYSA-N 0 3 389.262 1.917 20 30 GDEDHN N#Cc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001571298171 946209596 /nfs/dbraw/zinc/20/95/96/946209596.db2.gz BFQVZHGTRMVTJK-DOTOQJQBSA-N 0 3 390.451 1.755 20 30 GDEDHN N#Cc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001571298171 946209607 /nfs/dbraw/zinc/20/96/07/946209607.db2.gz BFQVZHGTRMVTJK-DOTOQJQBSA-N 0 3 390.451 1.755 20 30 GDEDHN C#CCO[C@H](C)C(=O)N1CCC[C@@H]1CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001573286039 946792144 /nfs/dbraw/zinc/79/21/44/946792144.db2.gz SAIRBSUQMSNPGN-CZUORRHYSA-N 0 3 386.431 1.125 20 30 GDEDHN C#CCOCCC(=O)N[C@H]1CCC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573286693 946818073 /nfs/dbraw/zinc/81/80/73/946818073.db2.gz HPVDXFSJWHXUHT-SFHVURJKSA-N 0 3 382.468 1.377 20 30 GDEDHN C#CCOCCC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573286693 946818086 /nfs/dbraw/zinc/81/80/86/946818086.db2.gz HPVDXFSJWHXUHT-SFHVURJKSA-N 0 3 382.468 1.377 20 30 GDEDHN C#CCOCCC(=O)N[C@H]1CCC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573286693 946818093 /nfs/dbraw/zinc/81/80/93/946818093.db2.gz HPVDXFSJWHXUHT-SFHVURJKSA-N 0 3 382.468 1.377 20 30 GDEDHN C#CCOCCC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573286693 946818106 /nfs/dbraw/zinc/81/81/06/946818106.db2.gz HPVDXFSJWHXUHT-SFHVURJKSA-N 0 3 382.468 1.377 20 30 GDEDHN C=C(C)CCC(=O)NCC1([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC001573294132 946976961 /nfs/dbraw/zinc/97/69/61/946976961.db2.gz VQACYQZWFSTDNZ-UHFFFAOYSA-N 0 3 384.484 1.978 20 30 GDEDHN C=C(C)CCC(=O)NCC1([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC001573294132 946976968 /nfs/dbraw/zinc/97/69/68/946976968.db2.gz VQACYQZWFSTDNZ-UHFFFAOYSA-N 0 3 384.484 1.978 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573567907 947059812 /nfs/dbraw/zinc/05/98/12/947059812.db2.gz UUTQDSXQYVXVOZ-ZFWWWQNUSA-N 0 3 385.447 1.836 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573567907 947059824 /nfs/dbraw/zinc/05/98/24/947059824.db2.gz UUTQDSXQYVXVOZ-ZFWWWQNUSA-N 0 3 385.447 1.836 20 30 GDEDHN C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)c(F)c3)CC[C@@H]2C1 ZINC001573569802 947079938 /nfs/dbraw/zinc/07/99/38/947079938.db2.gz FOAKVSQKFWBWNM-CFVMTHIKSA-N 0 3 383.431 1.446 20 30 GDEDHN C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)c(F)c3)CC[C@@H]2C1 ZINC001573569802 947079946 /nfs/dbraw/zinc/07/99/46/947079946.db2.gz FOAKVSQKFWBWNM-CFVMTHIKSA-N 0 3 383.431 1.446 20 30 GDEDHN C[C@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573572066 947109589 /nfs/dbraw/zinc/10/95/89/947109589.db2.gz DOEOLYKPTWDYFX-JZIBPQBNSA-N 0 3 383.431 1.777 20 30 GDEDHN C[C@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573572066 947109592 /nfs/dbraw/zinc/10/95/92/947109592.db2.gz DOEOLYKPTWDYFX-JZIBPQBNSA-N 0 3 383.431 1.777 20 30 GDEDHN C[NH+](C)Cc1ccc(C(N)=NOCCOc2ccccc2-c2nnn[n-]2)cc1 ZINC000825870145 947351044 /nfs/dbraw/zinc/35/10/44/947351044.db2.gz BNZWYHKMYFEXHO-UHFFFAOYSA-N 0 3 381.440 1.644 20 30 GDEDHN C[NH+](C)Cc1ccc(C(N)=NOCCOc2ccccc2-c2nn[n-]n2)cc1 ZINC000825870145 947351058 /nfs/dbraw/zinc/35/10/58/947351058.db2.gz BNZWYHKMYFEXHO-UHFFFAOYSA-N 0 3 381.440 1.644 20 30 GDEDHN C=CCC1(C(=O)NCC[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCOCC1 ZINC001573325945 947365369 /nfs/dbraw/zinc/36/53/69/947365369.db2.gz IMJGIZPNRNJMMT-UHFFFAOYSA-N 0 3 388.447 1.585 20 30 GDEDHN C=CCCC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573328707 947411351 /nfs/dbraw/zinc/41/13/51/947411351.db2.gz AFKNPDBHMAPJOP-CXAGYDPISA-N 0 3 388.447 1.678 20 30 GDEDHN C=CCCC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573328707 947411358 /nfs/dbraw/zinc/41/13/58/947411358.db2.gz AFKNPDBHMAPJOP-CXAGYDPISA-N 0 3 388.447 1.678 20 30 GDEDHN C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1c1cnn(C)c1 ZINC001573334495 947456665 /nfs/dbraw/zinc/45/66/65/947456665.db2.gz DTTHZXDSWHXJNV-WMLDXEAASA-N 0 3 395.471 1.092 20 30 GDEDHN C=CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1c1cnn(C)c1 ZINC001573334495 947456672 /nfs/dbraw/zinc/45/66/72/947456672.db2.gz DTTHZXDSWHXJNV-WMLDXEAASA-N 0 3 395.471 1.092 20 30 GDEDHN C=CCOCC(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573343309 947554207 /nfs/dbraw/zinc/55/42/07/947554207.db2.gz MTQKDGIXLSLJGP-KRWDZBQOSA-N 0 3 384.484 1.740 20 30 GDEDHN C=CCOCC(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573343309 947554215 /nfs/dbraw/zinc/55/42/15/947554215.db2.gz MTQKDGIXLSLJGP-KRWDZBQOSA-N 0 3 384.484 1.740 20 30 GDEDHN C=CCOCC(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573343309 947554228 /nfs/dbraw/zinc/55/42/28/947554228.db2.gz MTQKDGIXLSLJGP-KRWDZBQOSA-N 0 3 384.484 1.740 20 30 GDEDHN C=CCOCC(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573343309 947554240 /nfs/dbraw/zinc/55/42/40/947554240.db2.gz MTQKDGIXLSLJGP-KRWDZBQOSA-N 0 3 384.484 1.740 20 30 GDEDHN C[C@@H]1[C@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575908162 950355285 /nfs/dbraw/zinc/35/52/85/950355285.db2.gz AOVMSFCNRQUZIA-MLGOLLRUSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@@H]1[C@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575908162 950355307 /nfs/dbraw/zinc/35/53/07/950355307.db2.gz AOVMSFCNRQUZIA-MLGOLLRUSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@H](CN(C)C(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574753904 950549555 /nfs/dbraw/zinc/54/95/55/950549555.db2.gz VKBSAOMEILKBMT-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@H](CN(C)C(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574753904 950549577 /nfs/dbraw/zinc/54/95/77/950549577.db2.gz VKBSAOMEILKBMT-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574527868 950910202 /nfs/dbraw/zinc/91/02/02/950910202.db2.gz IEIGDOCKVNXARA-CHWSQXEVSA-N 0 3 378.440 1.753 20 30 GDEDHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574527868 950910221 /nfs/dbraw/zinc/91/02/21/950910221.db2.gz IEIGDOCKVNXARA-CHWSQXEVSA-N 0 3 378.440 1.753 20 30 GDEDHN N#Cc1cccc(C[NH2+]C2CC(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001571120906 952511720 /nfs/dbraw/zinc/51/17/20/952511720.db2.gz TVKPBPWEJXAFOA-UHFFFAOYSA-N 0 3 376.424 1.365 20 30 GDEDHN N#Cc1cccc(C[NH2+]C2CC(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001571120906 952511728 /nfs/dbraw/zinc/51/17/28/952511728.db2.gz TVKPBPWEJXAFOA-UHFFFAOYSA-N 0 3 376.424 1.365 20 30 GDEDHN N#Cc1ccc(S(=O)(=O)[N-]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1Cl ZINC000261737444 531097895 /nfs/dbraw/zinc/09/78/95/531097895.db2.gz OUZCCBAZSKTXPC-ZDUSSCGKSA-N 0 3 396.822 1.326 20 30 GDEDHN N#Cc1c(Cl)cccc1S(=O)(=O)NCCCN1CCC[C@H](C(N)=O)C1 ZINC000157084370 531206152 /nfs/dbraw/zinc/20/61/52/531206152.db2.gz WEUZBXOTIGHMKB-LBPRGKRZSA-N 0 3 384.889 1.077 20 30 GDEDHN CCN1CCN(CCNC(=O)COc2cccc(Br)c2C#N)CC1 ZINC000449879506 531480627 /nfs/dbraw/zinc/48/06/27/531480627.db2.gz HXAIJTBSPWGVDB-UHFFFAOYSA-N 0 3 395.301 1.453 20 30 GDEDHN N#Cc1cc(NC(=O)C(=O)N[C@H](CN)C2CCCC2)ccc1Br ZINC000415824135 531537156 /nfs/dbraw/zinc/53/71/56/531537156.db2.gz UFAQRVBMXWDITG-CQSZACIVSA-N 0 3 379.258 1.893 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000588291115 531652020 /nfs/dbraw/zinc/65/20/20/531652020.db2.gz YMLYULWCRIKZCG-SMDDNHRTSA-N 0 3 385.467 1.023 20 30 GDEDHN CN1C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(Br)c(C#N)c3)[C@@H]2C1 ZINC000590279362 531686395 /nfs/dbraw/zinc/68/63/95/531686395.db2.gz BONYLQKGJCHZBV-IINYFYTJSA-N 0 3 377.242 1.422 20 30 GDEDHN Cc1ncsc1CN(C)C[C@@H]1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)C1 ZINC000282387850 531747346 /nfs/dbraw/zinc/74/73/46/531747346.db2.gz RGSWAOCJXLSGAL-HIFRSBDPSA-N 0 3 385.559 1.542 20 30 GDEDHN C=CCN1CCC(NC(=O)c2ccc(Br)cc2-n2cnnn2)CC1 ZINC000623018344 531790732 /nfs/dbraw/zinc/79/07/32/531790732.db2.gz DYCBCPHFBWFARS-UHFFFAOYSA-N 0 3 391.273 1.805 20 30 GDEDHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000595194666 531870514 /nfs/dbraw/zinc/87/05/14/531870514.db2.gz SBZQJFWNSDZTRB-CYBMUJFWSA-N 0 3 379.258 1.860 20 30 GDEDHN N#CCCCC[C@@H](N)C(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000595257093 531873575 /nfs/dbraw/zinc/87/35/75/531873575.db2.gz QBLLERCMHPJOGK-GFCCVEGCSA-N 0 3 382.262 1.101 20 30 GDEDHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000596906007 531930908 /nfs/dbraw/zinc/93/09/08/531930908.db2.gz YMPLPSDPMNRRRO-UHFFFAOYSA-N 0 3 396.289 1.804 20 30 GDEDHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000601492244 532067269 /nfs/dbraw/zinc/06/72/69/532067269.db2.gz MUDOZNOEGIEMKJ-IJLUTSLNSA-N 0 3 385.408 1.118 20 30 GDEDHN N#Cc1ccccc1CSCC[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1 ZINC000737727278 598519396 /nfs/dbraw/zinc/51/93/96/598519396.db2.gz ILVGOFOAXZIJJR-CYBMUJFWSA-N 0 3 395.496 1.500 20 30 GDEDHN N#Cc1ccccc1CSCC[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000737727278 598519397 /nfs/dbraw/zinc/51/93/97/598519397.db2.gz ILVGOFOAXZIJJR-CYBMUJFWSA-N 0 3 395.496 1.500 20 30 GDEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000569568246 651003931 /nfs/dbraw/zinc/00/39/31/651003931.db2.gz IYAXNMWFCGVZRW-AWEZNQCLSA-N 0 3 375.416 1.806 20 30 GDEDHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000421314984 646005045 /nfs/dbraw/zinc/00/50/45/646005045.db2.gz ZIBMVPPKCZESCZ-LBPRGKRZSA-N 0 3 379.258 1.812 20 30 GDEDHN CCOc1cc(C#N)cc(Br)c1OCC(=O)C(C#N)C(=O)NC ZINC000917002138 660204246 /nfs/dbraw/zinc/20/42/46/660204246.db2.gz MXUWUAHSOUNAOO-JTQLQIEISA-N 0 3 380.198 1.553 20 30 GDEDHN CN1CCN(CCCCNS(=O)(=O)c2ccc(CC#N)cc2Cl)CC1 ZINC000581925230 651979308 /nfs/dbraw/zinc/97/93/08/651979308.db2.gz JJSMSENNDXHFOM-UHFFFAOYSA-N 0 3 384.933 1.712 20 30 GDEDHN N#CCCCC[C@H](N)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000594427334 652283612 /nfs/dbraw/zinc/28/36/12/652283612.db2.gz IMELZLZJRSSPJY-AWEZNQCLSA-N 0 3 384.527 1.429 20 30 GDEDHN N#Cc1ccc(OCC(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cc1Br ZINC000599938452 652519188 /nfs/dbraw/zinc/51/91/88/652519188.db2.gz AVRAFNIWSCFQLH-KBPBESRZSA-N 0 3 394.269 1.367 20 30 GDEDHN CS(=O)(=O)CCN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CC1 ZINC000753245260 654945445 /nfs/dbraw/zinc/94/54/45/654945445.db2.gz IAWWDHHIKFCCNZ-CYBMUJFWSA-N 0 3 377.491 1.982 20 30 GDEDHN CC1(C)CN(CC(=O)C(C#N)c2nc3ccccc3s2)CCS1(=O)=O ZINC000756909159 655029583 /nfs/dbraw/zinc/02/95/83/655029583.db2.gz XIMCJEMZHTVUKW-GFCCVEGCSA-N 0 3 377.491 1.982 20 30 GDEDHN C#CCN(C)CCCNC(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000836488767 655145612 /nfs/dbraw/zinc/14/56/12/655145612.db2.gz QJACPNFQHSNWDR-UHFFFAOYSA-N 0 3 395.301 1.433 20 30 GDEDHN CN(CC(=O)C(C#N)c1nc(C2CC2)cs1)S(=O)(=O)c1cccnc1 ZINC000842940811 655384992 /nfs/dbraw/zinc/38/49/92/655384992.db2.gz FDWPRQQSUGQVDI-CYBMUJFWSA-N 0 3 376.463 1.912 20 30 GDEDHN C#CCN1CCC(C(=O)NCCNC(=O)c2ccc(Br)cn2)CC1 ZINC000855284836 655690982 /nfs/dbraw/zinc/69/09/82/655690982.db2.gz BVODVTPUXZIGAI-UHFFFAOYSA-N 0 3 393.285 1.035 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000876607728 656617390 /nfs/dbraw/zinc/61/73/90/656617390.db2.gz YIJQEVBMDDBYHB-OAHLLOKOSA-N 0 3 386.279 1.860 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)NCCc1ccc(S(=O)(=O)N(CC)CC)s1 ZINC000876647272 656621781 /nfs/dbraw/zinc/62/17/81/656621781.db2.gz BLAPIGBFABUDGB-ZDUSSCGKSA-N 0 3 393.962 1.907 20 30 GDEDHN NC(=O)NC(=O)CCN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932941749 657231997 /nfs/dbraw/zinc/23/19/97/657231997.db2.gz ANDXRGVYGLBAOA-OLQVQODUSA-N 0 3 383.239 1.674 20 30 GDEDHN N#Cc1cc2c(nc1N1CCN3C[C@@H](OCc4cccnc4)C[C@H]3C1)CCOC2 ZINC001164875283 721171865 /nfs/dbraw/zinc/17/18/65/721171865.db2.gz KTDXGVFOHQGTDF-PMACEKPBSA-N 0 3 391.475 1.901 20 30 GDEDHN C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1c1ccccc1 ZINC001573283784 946725651 /nfs/dbraw/zinc/72/56/51/946725651.db2.gz YCTBTELLJUUCSO-MAUKXSAKSA-N 0 3 375.436 1.416 20 30 GDEDHN C#CCC[NH2+][C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1c1ccccc1 ZINC001573283784 946725659 /nfs/dbraw/zinc/72/56/59/946725659.db2.gz YCTBTELLJUUCSO-MAUKXSAKSA-N 0 3 375.436 1.416 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573285564 946782874 /nfs/dbraw/zinc/78/28/74/946782874.db2.gz IYAWATSUDNPWKI-DZGCQCFKSA-N 0 3 386.431 1.125 20 30 GDEDHN C#CCOCCC(=O)N1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C(C)(C)C1 ZINC001573286648 946813627 /nfs/dbraw/zinc/81/36/27/946813627.db2.gz GXKZGUXHQXFUNT-QGZVFWFLSA-N 0 3 382.468 1.233 20 30 GDEDHN C#CCOCCC(=O)N1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C(C)(C)C1 ZINC001573286648 946813643 /nfs/dbraw/zinc/81/36/43/946813643.db2.gz GXKZGUXHQXFUNT-QGZVFWFLSA-N 0 3 382.468 1.233 20 30 GDEDHN C#Cc1ccc(C(=O)NC2CC(C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)nc1 ZINC001573286789 946817190 /nfs/dbraw/zinc/81/71/90/946817190.db2.gz BDJRRSCRYGLVII-UHFFFAOYSA-N 0 3 387.447 1.541 20 30 GDEDHN C#Cc1ccc(C(=O)NC2CC(C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)nc1 ZINC001573286789 946817203 /nfs/dbraw/zinc/81/72/03/946817203.db2.gz BDJRRSCRYGLVII-UHFFFAOYSA-N 0 3 387.447 1.541 20 30 GDEDHN C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC001573288207 946862590 /nfs/dbraw/zinc/86/25/90/946862590.db2.gz PUFQYAGPFVNNHQ-AUUYWEPGSA-N 0 3 387.447 1.493 20 30 GDEDHN C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC001573288207 946862607 /nfs/dbraw/zinc/86/26/07/946862607.db2.gz PUFQYAGPFVNNHQ-AUUYWEPGSA-N 0 3 387.447 1.493 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CCC([NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC001573310062 947214925 /nfs/dbraw/zinc/21/49/25/947214925.db2.gz SBDUXYUNWBEULF-LJQANCHMSA-N 0 3 388.447 1.414 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CCC([NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001573310062 947214932 /nfs/dbraw/zinc/21/49/32/947214932.db2.gz SBDUXYUNWBEULF-LJQANCHMSA-N 0 3 388.447 1.414 20 30 GDEDHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575908144 950353985 /nfs/dbraw/zinc/35/39/85/950353985.db2.gz AMTRCCVQAIWPLD-YVEFUNNKSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575908144 950354004 /nfs/dbraw/zinc/35/40/04/950354004.db2.gz AMTRCCVQAIWPLD-YVEFUNNKSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001576215111 950690094 /nfs/dbraw/zinc/69/00/94/950690094.db2.gz DEMFNBNHTPLUEZ-UGSOOPFHSA-N 0 3 382.443 1.746 20 30 GDEDHN C[C@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001576215111 950690108 /nfs/dbraw/zinc/69/01/08/950690108.db2.gz DEMFNBNHTPLUEZ-UGSOOPFHSA-N 0 3 382.443 1.746 20 30 GDEDHN C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001576220332 950829491 /nfs/dbraw/zinc/82/94/91/950829491.db2.gz XETPHUADJSUUJK-DYVFJYSZSA-N 0 3 382.443 1.603 20 30 GDEDHN C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001576220332 950829517 /nfs/dbraw/zinc/82/95/17/950829517.db2.gz XETPHUADJSUUJK-DYVFJYSZSA-N 0 3 382.443 1.603 20 30 GDEDHN C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001575101188 951856530 /nfs/dbraw/zinc/85/65/30/951856530.db2.gz ATDDIXYXDAQCIN-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001575101188 951856539 /nfs/dbraw/zinc/85/65/39/951856539.db2.gz ATDDIXYXDAQCIN-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN CN(C(=O)c1cc(C#N)c[nH]1)C1CC([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571120363 952502146 /nfs/dbraw/zinc/50/21/46/952502146.db2.gz LTAJWFWHWLHYHA-UHFFFAOYSA-N 0 3 376.424 1.459 20 30 GDEDHN CN(C(=O)c1cc(C#N)c[nH]1)C1CC([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571120363 952502153 /nfs/dbraw/zinc/50/21/53/952502153.db2.gz LTAJWFWHWLHYHA-UHFFFAOYSA-N 0 3 376.424 1.459 20 30 GDEDHN COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)cc1-c1nnn[n-]1 ZINC001571233367 953192379 /nfs/dbraw/zinc/19/23/79/953192379.db2.gz SZCNKHUOXMXHBI-GZBFAFLISA-N 0 3 383.456 1.219 20 30 GDEDHN COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C)cc1-c1nn[n-]n1 ZINC001571233367 953192381 /nfs/dbraw/zinc/19/23/81/953192381.db2.gz SZCNKHUOXMXHBI-GZBFAFLISA-N 0 3 383.456 1.219 20 30 GDEDHN CN(CCN(C)S(=O)(=O)c1ccc(C#N)c(Cl)c1)C1CCN(C)CC1 ZINC000097000102 530819231 /nfs/dbraw/zinc/81/92/31/530819231.db2.gz NNLZLNNNRXQKIV-UHFFFAOYSA-N 0 3 384.933 1.858 20 30 GDEDHN CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292157922 531338123 /nfs/dbraw/zinc/33/81/23/531338123.db2.gz KQLIRCNNXFZYRG-AWEZNQCLSA-N 0 3 384.889 1.506 20 30 GDEDHN CN(C)CCN1C[C@H](C(=O)N[C@@H](C#N)c2ccccc2Br)CC1=O ZINC000610429123 531501451 /nfs/dbraw/zinc/50/14/51/531501451.db2.gz VFDVZMJWLKJUEI-DOMZBBRYSA-N 0 3 393.285 1.540 20 30 GDEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@@H](CO)c2ccccc2Cl)nc1 ZINC000584292078 531613729 /nfs/dbraw/zinc/61/37/29/531613729.db2.gz RXKNWYQHHHZBDY-AWEZNQCLSA-N 0 3 379.869 1.746 20 30 GDEDHN CCN(CC)CC(=O)N1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000297163289 531763960 /nfs/dbraw/zinc/76/39/60/531763960.db2.gz PAXIUCDNRANQIX-UHFFFAOYSA-N 0 3 380.290 1.706 20 30 GDEDHN CC(C#N)C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000510379321 531788754 /nfs/dbraw/zinc/78/87/54/531788754.db2.gz QWROGQUCPQQAFI-SNVBAGLBSA-N 0 3 376.265 1.986 20 30 GDEDHN N#Cc1cc(Br)ccc1CC(=O)NCCCN1CCC(O)CC1 ZINC000593478747 531837253 /nfs/dbraw/zinc/83/72/53/531837253.db2.gz GHYCCHGIQZFHMG-UHFFFAOYSA-N 0 3 380.286 1.826 20 30 GDEDHN N#Cc1ccc(S(=O)(=O)N[C@H]2CNCCC2(F)F)cc1Br ZINC000564967269 531871315 /nfs/dbraw/zinc/87/13/15/531871315.db2.gz UTEDEUUFWGATPV-NSHDSACASA-N 0 3 380.214 1.596 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCCS2)cc1 ZINC000569465121 531922147 /nfs/dbraw/zinc/92/21/47/531922147.db2.gz ZDOJELLHMGIALY-DGCLKSJQSA-N 0 3 381.479 1.323 20 30 GDEDHN CN(C)C[C@]1(O)CCCN(C(=O)COc2cccc(Br)c2C#N)C1 ZINC000597586412 531948918 /nfs/dbraw/zinc/94/89/18/531948918.db2.gz LWUILBQKTQTIAU-QGZVFWFLSA-N 0 3 396.285 1.615 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CSC2(C)C)cc1 ZINC000577067639 532031865 /nfs/dbraw/zinc/03/18/65/532031865.db2.gz GUTXOLHTBWLZFO-ZWNOBZJWSA-N 0 3 381.479 1.321 20 30 GDEDHN CC(C(=O)N[C@H]1CCCN(CC(F)(F)F)C1)S(=O)(=O)C1CCOCC1 ZINC000329187196 532097642 /nfs/dbraw/zinc/09/76/42/532097642.db2.gz PZPOFSRVZRFILK-NEPJUHHUSA-N 0 3 386.436 1.952 20 30 GDEDHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287484307 532217886 /nfs/dbraw/zinc/21/78/86/532217886.db2.gz FQIMJPDBUAQXCG-CYBMUJFWSA-N 0 3 379.258 1.860 20 30 GDEDHN C=CCn1c2nnc(SCC(=O)NCCN(C)C)n2c2ccccc2c1=O ZINC000192518981 209121628 /nfs/dbraw/zinc/12/16/28/209121628.db2.gz LAAVZELYOOUHBC-UHFFFAOYSA-N 0 3 386.481 1.000 20 30 GDEDHN CCOC(=O)c1csc(C(C#N)C(=O)Nc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000825570392 608493712 /nfs/dbraw/zinc/49/37/12/608493712.db2.gz JPYCIBJZCFSHTG-LLVKDONJSA-N 0 3 383.393 1.746 20 30 GDEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000131066384 644743510 /nfs/dbraw/zinc/74/35/10/644743510.db2.gz VJMCPDYWNACMSF-DTWKUNHWSA-N 0 3 386.271 1.862 20 30 GDEDHN N#CCCC[C@H](N)C(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000424178010 646161312 /nfs/dbraw/zinc/16/13/12/646161312.db2.gz VTHMOGAYXMEGKV-UONOGXRCSA-N 0 3 379.258 1.470 20 30 GDEDHN CN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000500012727 648096814 /nfs/dbraw/zinc/09/68/14/648096814.db2.gz XAXLQTQSVRIQAB-UHFFFAOYSA-N 0 3 379.258 1.813 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000515774908 648506924 /nfs/dbraw/zinc/50/69/24/648506924.db2.gz HLCLLLNURJMPIL-CABCVRRESA-N 0 3 385.295 1.970 20 30 GDEDHN C#CCNC(=O)C1CCN(C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000747820404 654792334 /nfs/dbraw/zinc/79/23/34/654792334.db2.gz UEHOFNXWHXKLFW-INIZCTEOSA-N 0 3 395.297 1.650 20 30 GDEDHN C#CCN(C)CCCNC(=O)NCc1cc(Br)c2c(c1)OCCO2 ZINC000836255792 655137105 /nfs/dbraw/zinc/13/71/05/655137105.db2.gz DNHLATCZQSQPGU-UHFFFAOYSA-N 0 3 396.285 1.975 20 30 GDEDHN COCCCNC(=O)C(C#N)C(=O)Cn1nc(C(F)(F)F)c(Cl)c1C ZINC000810527503 655164085 /nfs/dbraw/zinc/16/40/85/655164085.db2.gz LZRQRBIKCJMEPO-SECBINFHSA-N 0 3 380.754 1.725 20 30 GDEDHN COCCNC(=O)C(C#N)C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000796787416 655220713 /nfs/dbraw/zinc/22/07/13/655220713.db2.gz HGTPGRLXWRYGFF-CQSZACIVSA-N 0 3 386.857 1.365 20 30 GDEDHN C#CC[N@H+](C)CCCNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000843897480 655402832 /nfs/dbraw/zinc/40/28/32/655402832.db2.gz YJGAYTOGXQQSFE-UHFFFAOYSA-N 0 3 392.308 1.343 20 30 GDEDHN C#CC[N@@H+](C)CCCNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000843897480 655402833 /nfs/dbraw/zinc/40/28/33/655402833.db2.gz YJGAYTOGXQQSFE-UHFFFAOYSA-N 0 3 392.308 1.343 20 30 GDEDHN N#Cc1c(Br)cccc1OCC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000825516756 655490397 /nfs/dbraw/zinc/49/03/97/655490397.db2.gz AKFKIEOQSXPDTP-QWHCGFSZSA-N 0 3 394.269 1.679 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000876602565 656616743 /nfs/dbraw/zinc/61/67/43/656616743.db2.gz BQSGYYMSZXPPNM-OAHLLOKOSA-N 0 3 389.880 1.565 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000876906572 656638660 /nfs/dbraw/zinc/63/86/60/656638660.db2.gz CATNTOIXFNFYLL-CYBMUJFWSA-N 0 3 375.853 1.452 20 30 GDEDHN C#CCN(C(=O)NCC1(n2cc(Br)cn2)CC1)C1CCN(C)CC1 ZINC000927119622 656796159 /nfs/dbraw/zinc/79/61/59/656796159.db2.gz MAAUIKCUBQIODM-UHFFFAOYSA-N 0 3 394.317 1.874 20 30 GDEDHN CN1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)c(Br)c3)C[C@]2(C)C1 ZINC000907563218 659784538 /nfs/dbraw/zinc/78/45/38/659784538.db2.gz BWHJJKWXOAIZJX-DOMZBBRYSA-N 0 3 384.299 1.893 20 30 GDEDHN N#Cc1c[nH]c2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164979201 722099891 /nfs/dbraw/zinc/09/98/91/722099891.db2.gz HJCBSETXNVNABQ-SJLPKXTDSA-N 0 3 389.463 1.952 20 30 GDEDHN N#Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)[nH]1 ZINC001571298591 946222778 /nfs/dbraw/zinc/22/27/78/946222778.db2.gz HGQUVUOREXIMTJ-WBVHZDCISA-N 0 3 390.451 1.755 20 30 GDEDHN N#Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)[nH]1 ZINC001571298591 946222788 /nfs/dbraw/zinc/22/27/88/946222788.db2.gz HGQUVUOREXIMTJ-WBVHZDCISA-N 0 3 390.451 1.755 20 30 GDEDHN C#CCCCC(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)[C@H](C)C1 ZINC001573285006 946764285 /nfs/dbraw/zinc/76/42/85/946764285.db2.gz PYTAEFQPPWXDBZ-GDBMZVCRSA-N 0 3 384.459 1.993 20 30 GDEDHN C#CCCCC(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)[C@H](C)C1 ZINC001573285006 946764288 /nfs/dbraw/zinc/76/42/88/946764288.db2.gz PYTAEFQPPWXDBZ-GDBMZVCRSA-N 0 3 384.459 1.993 20 30 GDEDHN C#Cc1ccc(C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001573287967 946853868 /nfs/dbraw/zinc/85/38/68/946853868.db2.gz GZVKPUYWQJSHMZ-CQSZACIVSA-N 0 3 375.436 1.493 20 30 GDEDHN C#Cc1ccc(C(=O)N[C@@H](C)CCC[NH2+]Cc2ccccc2-c2nnn[n-]2)nc1 ZINC001573288951 946880671 /nfs/dbraw/zinc/88/06/71/946880671.db2.gz VUGQWMWFKKIWRF-HNNXBMFYSA-N 0 3 389.463 1.931 20 30 GDEDHN C#Cc1ccc(C(=O)N[C@@H](C)CCC[NH2+]Cc2ccccc2-c2nn[n-]n2)nc1 ZINC001573288951 946880680 /nfs/dbraw/zinc/88/06/80/946880680.db2.gz VUGQWMWFKKIWRF-HNNXBMFYSA-N 0 3 389.463 1.931 20 30 GDEDHN C#Cc1ccc(C(=O)N[C@H](C)CC[NH2+]Cc2ccccc2-c2nnn[n-]2)nc1 ZINC001573289441 946886479 /nfs/dbraw/zinc/88/64/79/946886479.db2.gz YZXFNYNCTRILOW-CQSZACIVSA-N 0 3 375.436 1.541 20 30 GDEDHN C#Cc1ccc(C(=O)N[C@H](C)CC[NH2+]Cc2ccccc2-c2nn[n-]n2)nc1 ZINC001573289441 946886482 /nfs/dbraw/zinc/88/64/82/946886482.db2.gz YZXFNYNCTRILOW-CQSZACIVSA-N 0 3 375.436 1.541 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC(C[N@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC001573563725 946984910 /nfs/dbraw/zinc/98/49/10/946984910.db2.gz CKXDQRXWDFXUAO-ZDUSSCGKSA-N 0 3 385.447 1.836 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC(C[N@@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC001573563725 946984919 /nfs/dbraw/zinc/98/49/19/946984919.db2.gz CKXDQRXWDFXUAO-ZDUSSCGKSA-N 0 3 385.447 1.836 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC(C[N@H+](C)Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC001573563725 946984927 /nfs/dbraw/zinc/98/49/27/946984927.db2.gz CKXDQRXWDFXUAO-ZDUSSCGKSA-N 0 3 385.447 1.836 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC(C[N@@H+](C)Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC001573563725 946984933 /nfs/dbraw/zinc/98/49/33/946984933.db2.gz CKXDQRXWDFXUAO-ZDUSSCGKSA-N 0 3 385.447 1.836 20 30 GDEDHN C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]21 ZINC001573295211 947011805 /nfs/dbraw/zinc/01/18/05/947011805.db2.gz MOYIXLJQLKMGIX-KWCYVHTRSA-N 0 3 375.864 1.778 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573309132 947191798 /nfs/dbraw/zinc/19/17/98/947191798.db2.gz CXGDNYQTMAYBIH-QRWLVFNGSA-N 0 3 384.484 1.474 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573309132 947191804 /nfs/dbraw/zinc/19/18/04/947191804.db2.gz CXGDNYQTMAYBIH-QRWLVFNGSA-N 0 3 384.484 1.474 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573309132 947191811 /nfs/dbraw/zinc/19/18/11/947191811.db2.gz CXGDNYQTMAYBIH-QRWLVFNGSA-N 0 3 384.484 1.474 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573309132 947191819 /nfs/dbraw/zinc/19/18/19/947191819.db2.gz CXGDNYQTMAYBIH-QRWLVFNGSA-N 0 3 384.484 1.474 20 30 GDEDHN C[C@@H](C#N)C(=O)N[C@@H](C)C1CC[NH+](Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573585798 947266959 /nfs/dbraw/zinc/26/69/59/947266959.db2.gz WRTJHVIKPXVLNC-STQMWFEESA-N 0 3 385.447 1.882 20 30 GDEDHN C=CCCO[C@@H](C)C(=O)N1CCC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573337088 947514385 /nfs/dbraw/zinc/51/43/85/947514385.db2.gz UDGZYLUKZIABCK-HNNXBMFYSA-N 0 3 384.484 1.929 20 30 GDEDHN C=CCCO[C@@H](C)C(=O)N1CCC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573337088 947514391 /nfs/dbraw/zinc/51/43/91/947514391.db2.gz UDGZYLUKZIABCK-HNNXBMFYSA-N 0 3 384.484 1.929 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573351177 947609847 /nfs/dbraw/zinc/60/98/47/947609847.db2.gz NONXIZLFVFHQCL-IPELMVKDSA-N 0 3 396.495 1.786 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573351177 947609853 /nfs/dbraw/zinc/60/98/53/947609853.db2.gz NONXIZLFVFHQCL-IPELMVKDSA-N 0 3 396.495 1.786 20 30 GDEDHN C[C@@H](CN(C)C(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574738984 950183420 /nfs/dbraw/zinc/18/34/20/950183420.db2.gz JYWQLYQFFRGBIR-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@@H](CN(C)C(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574738984 950183446 /nfs/dbraw/zinc/18/34/46/950183446.db2.gz JYWQLYQFFRGBIR-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@@H](CN(C)C(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001574739527 950198617 /nfs/dbraw/zinc/19/86/17/950198617.db2.gz RDOOIEYGIFBWOV-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@@H](CN(C)C(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001574739527 950198627 /nfs/dbraw/zinc/19/86/27/950198627.db2.gz RDOOIEYGIFBWOV-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574746729 950395721 /nfs/dbraw/zinc/39/57/21/950395721.db2.gz OPXMRMMMPVFRBB-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001576214891 950682522 /nfs/dbraw/zinc/68/25/22/950682522.db2.gz DEMFNBNHTPLUEZ-ACJLOTCBSA-N 0 3 382.443 1.746 20 30 GDEDHN C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001576214891 950682532 /nfs/dbraw/zinc/68/25/32/950682532.db2.gz DEMFNBNHTPLUEZ-ACJLOTCBSA-N 0 3 382.443 1.746 20 30 GDEDHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)c1ccc(C#N)[nH]1 ZINC001575078918 951685648 /nfs/dbraw/zinc/68/56/48/951685648.db2.gz BCDQLRCXGBFBMP-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)c1ccc(C#N)[nH]1 ZINC001575078918 951685654 /nfs/dbraw/zinc/68/56/54/951685654.db2.gz BCDQLRCXGBFBMP-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@](C[NH2+]Cc1ccccc1-c1nnn[n-]1)(NC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001575115148 951962394 /nfs/dbraw/zinc/96/23/94/951962394.db2.gz VAQVIJBJVIDNNS-HXUWFJFHSA-N 0 3 390.451 1.755 20 30 GDEDHN C[C@](C[NH2+]Cc1ccccc1-c1nn[n-]n1)(NC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001575115148 951962398 /nfs/dbraw/zinc/96/23/98/951962398.db2.gz VAQVIJBJVIDNNS-HXUWFJFHSA-N 0 3 390.451 1.755 20 30 GDEDHN C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571120673 952507292 /nfs/dbraw/zinc/50/72/92/952507292.db2.gz PDCOZECRJAUSBJ-PXAZEXFGSA-N 0 3 376.424 1.317 20 30 GDEDHN C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571120673 952507298 /nfs/dbraw/zinc/50/72/98/952507298.db2.gz PDCOZECRJAUSBJ-PXAZEXFGSA-N 0 3 376.424 1.317 20 30 GDEDHN [NH2+]=C(NCC[N-]S(=O)(=O)c1cccs1)N[C@H]1CCOc2ccccc21 ZINC000160484946 530552681 /nfs/dbraw/zinc/55/26/81/530552681.db2.gz FVBQSIZTYUXKBI-ZDUSSCGKSA-N 0 3 380.495 1.455 20 30 GDEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000181277066 530780724 /nfs/dbraw/zinc/78/07/24/530780724.db2.gz GMQCRDVJKGBUTJ-SNVBAGLBSA-N 0 3 386.836 1.665 20 30 GDEDHN C[C@@H](O)CN1CCC(CN(C)S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000184877553 530833206 /nfs/dbraw/zinc/83/32/06/530833206.db2.gz QKEJZRNLZLDAFR-CYBMUJFWSA-N 0 3 385.917 1.925 20 30 GDEDHN N#Cc1cc(S(=O)(=O)[N-]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1Cl ZINC000261603292 531093390 /nfs/dbraw/zinc/09/33/90/531093390.db2.gz AREVSRVNASOJOW-CYBMUJFWSA-N 0 3 396.822 1.326 20 30 GDEDHN CN(C)CCN1C[C@@H](C(=O)N[C@H](C#N)c2ccc(Br)cc2)CC1=O ZINC000266860356 531374021 /nfs/dbraw/zinc/37/40/21/531374021.db2.gz UPSVZFOHEGMIOR-DZGCQCFKSA-N 0 3 393.285 1.540 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000293485441 531424051 /nfs/dbraw/zinc/42/40/51/531424051.db2.gz VZNSUFSXPATAGS-UHFFFAOYSA-N 0 3 393.285 1.731 20 30 GDEDHN CN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000551099687 531531600 /nfs/dbraw/zinc/53/16/00/531531600.db2.gz PXAIDPDJDHQXOE-UHFFFAOYSA-N 0 3 379.258 1.813 20 30 GDEDHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(Br)c(C#N)c3)C[C@@H]21 ZINC000590791621 531700238 /nfs/dbraw/zinc/70/02/38/531700238.db2.gz NOXVPNYCVUWXCF-YGRLFVJLSA-N 0 3 377.242 1.422 20 30 GDEDHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3cccc(C#N)c3Br)[C@H]2C1 ZINC000591415334 531722905 /nfs/dbraw/zinc/72/29/05/531722905.db2.gz QPSQCMLMEUUGKA-YPMHNXCESA-N 0 3 377.242 1.422 20 30 GDEDHN CN(C)CCn1cc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1=O ZINC000270017633 531822302 /nfs/dbraw/zinc/82/23/02/531822302.db2.gz HYPLSLOZHNXPRD-UHFFFAOYSA-N 0 3 380.857 1.736 20 30 GDEDHN C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)cc1 ZINC000270407323 531866552 /nfs/dbraw/zinc/86/65/52/531866552.db2.gz AHFZOMHUMSMQMF-HZPDHXFCSA-N 0 3 383.539 1.269 20 30 GDEDHN CN(C)C[C@@]1(O)CCCN(C(=O)COc2ccc(C#N)c(Br)c2)C1 ZINC000597587560 531948205 /nfs/dbraw/zinc/94/82/05/531948205.db2.gz YMSMSLCPMMMEHE-KRWDZBQOSA-N 0 3 396.285 1.615 20 30 GDEDHN C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2Br)CCN1C ZINC000419667972 531950249 /nfs/dbraw/zinc/95/02/49/531950249.db2.gz CPFQZSVGTFSHFF-ZYHUDNBSSA-N 0 3 379.258 1.858 20 30 GDEDHN C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000819722362 607336977 /nfs/dbraw/zinc/33/69/77/607336977.db2.gz HNMZTROIUWBJND-UHFFFAOYSA-N 0 3 387.419 1.101 20 30 GDEDHN C#CCN1CCC(C(=O)N[C@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000825614190 601740045 /nfs/dbraw/zinc/74/00/45/601740045.db2.gz IJUCTJJXPDHGJD-JOCHJYFZSA-N 0 3 383.492 1.567 20 30 GDEDHN C#CCN1CCC(C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000825614190 601740047 /nfs/dbraw/zinc/74/00/47/601740047.db2.gz IJUCTJJXPDHGJD-JOCHJYFZSA-N 0 3 383.492 1.567 20 30 GDEDHN Cn1cc(-c2nnn[n-]2)cc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000821586358 606228053 /nfs/dbraw/zinc/22/80/53/606228053.db2.gz UREHGRKLKPSOII-UHFFFAOYSA-N 0 3 378.440 1.281 20 30 GDEDHN Cn1cc(-c2nn[n-]n2)cc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000821586358 606228055 /nfs/dbraw/zinc/22/80/55/606228055.db2.gz UREHGRKLKPSOII-UHFFFAOYSA-N 0 3 378.440 1.281 20 30 GDEDHN N#CC(C(=O)CCNC(=O)c1ccc(Br)cc1)C(=O)NC1CC1 ZINC000129389208 644734043 /nfs/dbraw/zinc/73/40/43/644734043.db2.gz TUDWBMMIMGEOQR-CYBMUJFWSA-N 0 3 378.226 1.556 20 30 GDEDHN O=C(NCCNCc1cnc2ccc(Br)cn12)C1N=CC=CC1=O ZINC000174392934 644899577 /nfs/dbraw/zinc/89/95/77/644899577.db2.gz ADELGJHGSARAKP-NXVVXOECSA-N 0 3 390.241 1.713 20 30 GDEDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000592257839 652179371 /nfs/dbraw/zinc/17/93/71/652179371.db2.gz MZWJHIYXPSZKEA-LLVKDONJSA-N 0 3 394.273 1.904 20 30 GDEDHN COCCN(C)CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592757078 652202097 /nfs/dbraw/zinc/20/20/97/652202097.db2.gz GRNBXGKUJIWMHX-UHFFFAOYSA-N 0 3 395.301 1.451 20 30 GDEDHN CCOCCCNC(=O)C(C#N)C(=O)C[C@H](C)n1cc(Br)cn1 ZINC000842681516 655371036 /nfs/dbraw/zinc/37/10/36/655371036.db2.gz MATRYDSHLSMTBK-WCQYABFASA-N 0 3 385.262 1.848 20 30 GDEDHN C#CCN(C)CCCNC(=O)COc1ccc(I)cc1 ZINC000818611987 655377349 /nfs/dbraw/zinc/37/73/49/655377349.db2.gz JWNYNSZGIIHYKM-UHFFFAOYSA-N 0 3 386.233 1.741 20 30 GDEDHN N#Cc1c(Br)cccc1OCC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000825516755 655490353 /nfs/dbraw/zinc/49/03/53/655490353.db2.gz AKFKIEOQSXPDTP-OLZOCXBDSA-N 0 3 394.269 1.679 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000876571925 656615138 /nfs/dbraw/zinc/61/51/38/656615138.db2.gz RSZUJKPSKBBQRW-INIZCTEOSA-N 0 3 385.917 1.734 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000876632581 656619663 /nfs/dbraw/zinc/61/96/63/656619663.db2.gz WUZRTHTTWNBJOQ-INIZCTEOSA-N 0 3 385.917 1.673 20 30 GDEDHN C#CCN(C(=O)C(=O)NCCCSc1nccs1)C1CCN(C)CC1 ZINC000930199218 657006963 /nfs/dbraw/zinc/00/69/63/657006963.db2.gz ZTWSUFBJLMOHME-UHFFFAOYSA-N 0 3 380.539 1.298 20 30 GDEDHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883117109 657273410 /nfs/dbraw/zinc/27/34/10/657273410.db2.gz QPRPFWQHPLOHMJ-UHFFFAOYSA-N 0 3 397.277 1.199 20 30 GDEDHN N#C[C@H](c1cccs1)N1CCN(C(=O)CN2C[C@@H]3CSC[C@@H]3C2)CC1 ZINC000886568132 657675829 /nfs/dbraw/zinc/67/58/29/657675829.db2.gz BJCBNRJXGQOTLT-OWCLPIDISA-N 0 3 376.551 1.752 20 30 GDEDHN COCCCNC(=O)C(C#N)C(=O)Cc1sc(CC(F)(F)F)nc1C ZINC000892462611 658328297 /nfs/dbraw/zinc/32/82/97/658328297.db2.gz UEIAQMJAROQHIZ-JTQLQIEISA-N 0 3 377.388 1.960 20 30 GDEDHN Nc1nc(N)nc(N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 ZINC000896391600 658774487 /nfs/dbraw/zinc/77/44/87/658774487.db2.gz MHUIFEHJGPOTOL-QWWZWVQMSA-N 0 3 378.227 1.643 20 30 GDEDHN C#CCN1CCC[C@@H](NCCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000905458561 659455470 /nfs/dbraw/zinc/45/54/70/659455470.db2.gz AATVPNBBMMDHKO-OAHLLOKOSA-N 0 3 385.327 1.910 20 30 GDEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@H]2CCCN2CC(F)(F)F)c1 ZINC000905566450 659465869 /nfs/dbraw/zinc/46/58/69/659465869.db2.gz WJLRYUHFTAGJPR-CQSZACIVSA-N 0 3 375.416 1.948 20 30 GDEDHN N#Cc1ncc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1C#N ZINC001164972650 722146016 /nfs/dbraw/zinc/14/60/16/722146016.db2.gz AGFBUOLRHPAWHV-APWZRJJASA-N 0 3 375.436 1.342 20 30 GDEDHN CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1ccccc1-c1nnn[n-]1 ZINC001571298185 946208485 /nfs/dbraw/zinc/20/84/85/946208485.db2.gz BNWOMRFSLRGEGF-FUHWJXTLSA-N 0 3 390.451 1.849 20 30 GDEDHN CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1ccccc1-c1nnn[n-]1 ZINC001571298185 946208492 /nfs/dbraw/zinc/20/84/92/946208492.db2.gz BNWOMRFSLRGEGF-FUHWJXTLSA-N 0 3 390.451 1.849 20 30 GDEDHN C#CCN(CC)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[C@@H](C)[NH+](C)C ZINC001573284018 946732817 /nfs/dbraw/zinc/73/28/17/946732817.db2.gz ZCWCZGWQDFYFBI-CQSZACIVSA-N 0 3 379.472 1.535 20 30 GDEDHN C#CCN(CC)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1C[C@@H](C)[NH+](C)C ZINC001573284018 946732829 /nfs/dbraw/zinc/73/28/29/946732829.db2.gz ZCWCZGWQDFYFBI-CQSZACIVSA-N 0 3 379.472 1.535 20 30 GDEDHN C=C(C)C(C)(C)C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573292872 946942158 /nfs/dbraw/zinc/94/21/58/946942158.db2.gz FTAOZIAQJWCMLF-QGZVFWFLSA-N 0 3 384.484 1.786 20 30 GDEDHN C=C(C)C(C)(C)C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573292871 946943164 /nfs/dbraw/zinc/94/31/64/946943164.db2.gz FTAOZIAQJWCMLF-KRWDZBQOSA-N 0 3 384.484 1.786 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573567904 947060852 /nfs/dbraw/zinc/06/08/52/947060852.db2.gz UUTQDSXQYVXVOZ-DZGCQCFKSA-N 0 3 385.447 1.836 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573567904 947060861 /nfs/dbraw/zinc/06/08/61/947060861.db2.gz UUTQDSXQYVXVOZ-DZGCQCFKSA-N 0 3 385.447 1.836 20 30 GDEDHN C=C[C@](C)(O)CC(=O)NC[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573310208 947219020 /nfs/dbraw/zinc/21/90/20/947219020.db2.gz UXCCUISLRJIBPK-KUHUBIRLSA-N 0 3 388.447 1.271 20 30 GDEDHN C=C[C@](C)(O)CC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573310208 947219030 /nfs/dbraw/zinc/21/90/30/947219030.db2.gz UXCCUISLRJIBPK-KUHUBIRLSA-N 0 3 388.447 1.271 20 30 GDEDHN C[C@H](C#N)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573586558 947292157 /nfs/dbraw/zinc/29/21/57/947292157.db2.gz QURPZAUVHICUJN-UMVBOHGHSA-N 0 3 385.447 1.930 20 30 GDEDHN C[C@H](C#N)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001573586558 947292165 /nfs/dbraw/zinc/29/21/65/947292165.db2.gz QURPZAUVHICUJN-UMVBOHGHSA-N 0 3 385.447 1.930 20 30 GDEDHN C=CCC1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001573326810 947380877 /nfs/dbraw/zinc/38/08/77/947380877.db2.gz WCZGEKFUQUUAAQ-QGZVFWFLSA-N 0 3 384.484 1.570 20 30 GDEDHN C=CCC1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001573326810 947380898 /nfs/dbraw/zinc/38/08/98/947380898.db2.gz WCZGEKFUQUUAAQ-QGZVFWFLSA-N 0 3 384.484 1.570 20 30 GDEDHN C=CCCCCC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573334537 947456107 /nfs/dbraw/zinc/45/61/07/947456107.db2.gz FKGDSWAJYYDGFL-INIZCTEOSA-N 0 3 387.488 1.762 20 30 GDEDHN C=CCCCCC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573334537 947456119 /nfs/dbraw/zinc/45/61/19/947456119.db2.gz FKGDSWAJYYDGFL-INIZCTEOSA-N 0 3 387.488 1.762 20 30 GDEDHN C=CCCCCC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573334537 947456128 /nfs/dbraw/zinc/45/61/28/947456128.db2.gz FKGDSWAJYYDGFL-INIZCTEOSA-N 0 3 387.488 1.762 20 30 GDEDHN C=CCCCCC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573334537 947456133 /nfs/dbraw/zinc/45/61/33/947456133.db2.gz FKGDSWAJYYDGFL-INIZCTEOSA-N 0 3 387.488 1.762 20 30 GDEDHN C=CCCO[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573335624 947484662 /nfs/dbraw/zinc/48/46/62/947484662.db2.gz BVICSGGJGTYRIR-HIFRSBDPSA-N 0 3 388.447 1.678 20 30 GDEDHN C=CCCO[C@H](C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573335624 947484670 /nfs/dbraw/zinc/48/46/70/947484670.db2.gz BVICSGGJGTYRIR-HIFRSBDPSA-N 0 3 388.447 1.678 20 30 GDEDHN C=CCCO[C@@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573336496 947506192 /nfs/dbraw/zinc/50/61/92/947506192.db2.gz OBNHBCTZBBZXBR-YJBOKZPZSA-N 0 3 384.484 1.929 20 30 GDEDHN C=CCCO[C@@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573336496 947506199 /nfs/dbraw/zinc/50/61/99/947506199.db2.gz OBNHBCTZBBZXBR-YJBOKZPZSA-N 0 3 384.484 1.929 20 30 GDEDHN C=CCCO[C@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573336488 947506392 /nfs/dbraw/zinc/50/63/92/947506392.db2.gz OBNHBCTZBBZXBR-CRAIPNDOSA-N 0 3 384.484 1.929 20 30 GDEDHN C=CCCO[C@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573336488 947506401 /nfs/dbraw/zinc/50/64/01/947506401.db2.gz OBNHBCTZBBZXBR-CRAIPNDOSA-N 0 3 384.484 1.929 20 30 GDEDHN C=CCOCC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573344166 947568119 /nfs/dbraw/zinc/56/81/19/947568119.db2.gz XRNSTVMOPDLQGP-YJBOKZPZSA-N 0 3 384.484 1.786 20 30 GDEDHN C=CCOCC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573344166 947568129 /nfs/dbraw/zinc/56/81/29/947568129.db2.gz XRNSTVMOPDLQGP-YJBOKZPZSA-N 0 3 384.484 1.786 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573350610 947598979 /nfs/dbraw/zinc/59/89/79/947598979.db2.gz HJAFLNCUTZBSSL-UHOSZYNNSA-N 0 3 396.495 1.881 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001573350610 947598992 /nfs/dbraw/zinc/59/89/92/947598992.db2.gz HJAFLNCUTZBSSL-UHOSZYNNSA-N 0 3 396.495 1.881 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573350610 947599003 /nfs/dbraw/zinc/59/90/03/947599003.db2.gz HJAFLNCUTZBSSL-UHOSZYNNSA-N 0 3 396.495 1.881 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001573350610 947599011 /nfs/dbraw/zinc/59/90/11/947599011.db2.gz HJAFLNCUTZBSSL-UHOSZYNNSA-N 0 3 396.495 1.881 20 30 GDEDHN C[C@H]1[C@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575908160 950356806 /nfs/dbraw/zinc/35/68/06/950356806.db2.gz AOVMSFCNRQUZIA-BLLLJJGKSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@H]1[C@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575908160 950356829 /nfs/dbraw/zinc/35/68/29/950356829.db2.gz AOVMSFCNRQUZIA-BLLLJJGKSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@@H]1[C@@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575908667 950372032 /nfs/dbraw/zinc/37/20/32/950372032.db2.gz CYLOFZGDXCEYIV-DOMZBBRYSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079548 951694308 /nfs/dbraw/zinc/69/43/08/951694308.db2.gz QWXBOPCUKHJYHI-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079548 951694319 /nfs/dbraw/zinc/69/43/19/951694319.db2.gz QWXBOPCUKHJYHI-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN C=CCNc1nnc(S(=O)(=O)C(C)C(=O)NCc2ccc(C)cc2)s1 ZINC000479018473 531352006 /nfs/dbraw/zinc/35/20/06/531352006.db2.gz ZVIVHKADKAMKJJ-LBPRGKRZSA-N 0 3 380.495 1.923 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 ZINC000293520642 531426559 /nfs/dbraw/zinc/42/65/59/531426559.db2.gz YVYNJYWNCRGPNV-RUZDIDTESA-N 0 3 383.901 1.228 20 30 GDEDHN CC(C(=O)NC(=O)NCC(F)(F)F)S(=O)(=O)c1ccc(C#N)cc1F ZINC000414212249 531434151 /nfs/dbraw/zinc/43/41/51/531434151.db2.gz QIOLLIMVVVGFNR-SSDOTTSWSA-N 0 3 381.307 1.248 20 30 GDEDHN COCCN(C)CCCNC(=O)COc1cccc(Br)c1C#N ZINC000449561587 531471396 /nfs/dbraw/zinc/47/13/96/531471396.db2.gz DDZOFPQUWWQDRU-UHFFFAOYSA-N 0 3 384.274 1.784 20 30 GDEDHN COCCN(CCN(C)C)C(=O)COc1cccc(Br)c1C#N ZINC000449841497 531478696 /nfs/dbraw/zinc/47/86/96/531478696.db2.gz AKZJGOTUIFMHNP-UHFFFAOYSA-N 0 3 384.274 1.736 20 30 GDEDHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000294741206 531493675 /nfs/dbraw/zinc/49/36/75/531493675.db2.gz LIVRQUXDSJUFHF-FZMZJTMJSA-N 0 3 391.269 1.954 20 30 GDEDHN CC(C#N)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000510390372 531788661 /nfs/dbraw/zinc/78/86/61/531788661.db2.gz XLULVGYFAFUFNC-SECBINFHSA-N 0 3 392.300 1.503 20 30 GDEDHN N#CC1(C[C@H](O)CNCCS(=O)(=O)c2ccc(Cl)cc2)CCOCC1 ZINC000600720774 532051315 /nfs/dbraw/zinc/05/13/15/532051315.db2.gz QLVIOENDNUWKHT-HNNXBMFYSA-N 0 3 386.901 1.775 20 30 GDEDHN CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3cccc(C#N)c3Br)[C@@H]2C1 ZINC000425816727 532155734 /nfs/dbraw/zinc/15/57/34/532155734.db2.gz GMQMVTXCHIGXLZ-GXTWGEPZSA-N 0 3 391.269 1.812 20 30 GDEDHN COc1cc(CNC[C@H](O)CN(C)CCC#N)cc(Br)c1OC ZINC000563881462 650741797 /nfs/dbraw/zinc/74/17/97/650741797.db2.gz JDTVJYGJYKPRBQ-ZDUSSCGKSA-N 0 3 386.290 1.762 20 30 GDEDHN N#Cc1ccc(OCC(=O)N[C@@H]2CCCN(CCCO)C2)cc1Br ZINC000452386670 647322381 /nfs/dbraw/zinc/32/23/81/647322381.db2.gz NMBHBOQMJQLXAF-CQSZACIVSA-N 0 3 396.285 1.663 20 30 GDEDHN COC1CCN(CCNC(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000590674897 652139461 /nfs/dbraw/zinc/13/94/61/652139461.db2.gz OGLCQWJYBCGLDO-UHFFFAOYSA-N 0 3 396.285 1.927 20 30 GDEDHN CN1CCN(CC2CN(C(=O)Cc3ccc(Br)cc3C#N)C2)CC1 ZINC000597693481 652456886 /nfs/dbraw/zinc/45/68/86/652456886.db2.gz DTXOHLMCEHCZOE-UHFFFAOYSA-N 0 3 391.313 1.569 20 30 GDEDHN N#CC(C(=O)c1csc(S(=O)(=O)N2CCOCC2)c1)c1ccccn1 ZINC000613296728 652958147 /nfs/dbraw/zinc/95/81/47/652958147.db2.gz YJTZAPSLZYVMAU-CYBMUJFWSA-N 0 3 377.447 1.654 20 30 GDEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1nccn2c(Br)cnc12 ZINC000770110714 654499170 /nfs/dbraw/zinc/49/91/70/654499170.db2.gz STOCROGRAVHLGJ-VIFPVBQESA-N 0 3 385.181 1.848 20 30 GDEDHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000806920121 655075106 /nfs/dbraw/zinc/07/51/06/655075106.db2.gz YSBIHZFYGPKRBR-LLVKDONJSA-N 0 3 379.258 1.860 20 30 GDEDHN C[C@@H]1CCS(=O)(=O)CCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000763852149 655203266 /nfs/dbraw/zinc/20/32/66/655203266.db2.gz KCPGARHRHFVLNK-OLZOCXBDSA-N 0 3 377.491 1.982 20 30 GDEDHN C#CCN(C)CCCNC(=O)NC[C@H](CO)Cc1cccc(Br)c1 ZINC000838623422 655221146 /nfs/dbraw/zinc/22/11/46/655221146.db2.gz ADAVYZHBWMGTHG-MRXNPFEDSA-N 0 3 396.329 1.854 20 30 GDEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000815082366 655285911 /nfs/dbraw/zinc/28/59/11/655285911.db2.gz NBDDNAMKGXGEKB-UHFFFAOYSA-N 0 3 390.259 1.591 20 30 GDEDHN Cn1cnnc1COCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000815908496 655308210 /nfs/dbraw/zinc/30/82/10/655308210.db2.gz CNUHYFMRIVFAFM-JTQLQIEISA-N 0 3 382.207 1.986 20 30 GDEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000818593254 655376907 /nfs/dbraw/zinc/37/69/07/655376907.db2.gz RUSKNOMHWVECHP-INIZCTEOSA-N 0 3 392.297 1.873 20 30 GDEDHN C=CCNS(=O)(=O)c1ccc(CC(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)s1 ZINC000923317392 656544417 /nfs/dbraw/zinc/54/44/17/656544417.db2.gz RAWUSTHETJHHSM-UONOGXRCSA-N 0 3 383.539 1.450 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000876714985 656625976 /nfs/dbraw/zinc/62/59/76/656625976.db2.gz HZNQXXDOFOLBTE-LBPRGKRZSA-N 0 3 381.889 1.912 20 30 GDEDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883115452 657272875 /nfs/dbraw/zinc/27/28/75/657272875.db2.gz ZIJUESVFSZJTJJ-JTQLQIEISA-N 0 3 395.261 1.299 20 30 GDEDHN C#CCN(C(=O)c1cc(Br)c(C)n(C)c1=O)C1CCN(C)CC1 ZINC000886577816 657676727 /nfs/dbraw/zinc/67/67/27/657676727.db2.gz YHWZOEZZRCCWLD-UHFFFAOYSA-N 0 3 380.286 1.626 20 30 GDEDHN C#CCC1(NCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CCOCC1 ZINC000887123503 657756151 /nfs/dbraw/zinc/75/61/51/657756151.db2.gz RULNZUBNHDMLDN-UHFFFAOYSA-N 0 3 384.885 1.844 20 30 GDEDHN C#CCN1CCC[C@H](NCCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000905458560 659455351 /nfs/dbraw/zinc/45/53/51/659455351.db2.gz AATVPNBBMMDHKO-HNNXBMFYSA-N 0 3 385.327 1.910 20 30 GDEDHN N#Cc1c[nH]c2nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)ncc12 ZINC001164865768 721122396 /nfs/dbraw/zinc/12/23/96/721122396.db2.gz PHDKYLLFFITNIN-IRXDYDNUSA-N 0 3 375.436 1.704 20 30 GDEDHN N#Cc1cccc(C[NH2+]C[C@@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC001571299271 946245896 /nfs/dbraw/zinc/24/58/96/946245896.db2.gz QAPOITFALXFCAN-INIZCTEOSA-N 0 3 390.451 1.851 20 30 GDEDHN N#Cc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC001571299819 946262645 /nfs/dbraw/zinc/26/26/45/946262645.db2.gz VMMXOTWUHFZPTG-MRXNPFEDSA-N 0 3 390.451 1.851 20 30 GDEDHN C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC1 ZINC001573283664 946723029 /nfs/dbraw/zinc/72/30/29/946723029.db2.gz WNDCXGJUUGLYIR-INIZCTEOSA-N 0 3 381.484 1.782 20 30 GDEDHN C#CCC[NH+]1CCC([C@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001573283664 946723039 /nfs/dbraw/zinc/72/30/39/946723039.db2.gz WNDCXGJUUGLYIR-INIZCTEOSA-N 0 3 381.484 1.782 20 30 GDEDHN C#CCCCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573284564 946750227 /nfs/dbraw/zinc/75/02/27/946750227.db2.gz GKFTYBLVBMYLLS-PBHICJAKSA-N 0 3 384.459 1.993 20 30 GDEDHN C#CCCCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573284564 946750239 /nfs/dbraw/zinc/75/02/39/946750239.db2.gz GKFTYBLVBMYLLS-PBHICJAKSA-N 0 3 384.459 1.993 20 30 GDEDHN C#CCCCC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573285008 946764801 /nfs/dbraw/zinc/76/48/01/946764801.db2.gz PYTAEFQPPWXDBZ-GOEBONIOSA-N 0 3 384.459 1.993 20 30 GDEDHN C#CCCCC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573285008 946764812 /nfs/dbraw/zinc/76/48/12/946764812.db2.gz PYTAEFQPPWXDBZ-GOEBONIOSA-N 0 3 384.459 1.993 20 30 GDEDHN C#Cc1cncc(C(=O)NC[C@@H](C)C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC001573292361 946933906 /nfs/dbraw/zinc/93/39/06/946933906.db2.gz UOBJPDWCTNTEKI-AWEZNQCLSA-N 0 3 375.436 1.399 20 30 GDEDHN C#Cc1cncc(C(=O)NC[C@@H](C)C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC001573292361 946933918 /nfs/dbraw/zinc/93/39/18/946933918.db2.gz UOBJPDWCTNTEKI-AWEZNQCLSA-N 0 3 375.436 1.399 20 30 GDEDHN C[C@H](C#N)C(=O)NC1CC2(C1)CC([NH2+]Cc1ccc(-c3nnn[n-]3)c(F)c1)C2 ZINC001573573503 947124573 /nfs/dbraw/zinc/12/45/73/947124573.db2.gz ODRZFPIJTQHYBL-KDBGQGEDSA-N 0 3 383.431 1.682 20 30 GDEDHN C[C@H](C#N)C(=O)NC1CC2(C1)CC([NH2+]Cc1ccc(-c3nn[n-]n3)c(F)c1)C2 ZINC001573573503 947124583 /nfs/dbraw/zinc/12/45/83/947124583.db2.gz ODRZFPIJTQHYBL-KDBGQGEDSA-N 0 3 383.431 1.682 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573309339 947195721 /nfs/dbraw/zinc/19/57/21/947195721.db2.gz HDWAXDKOGVRCDQ-XLIONFOSSA-N 0 3 384.484 1.617 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573309339 947195727 /nfs/dbraw/zinc/19/57/27/947195727.db2.gz HDWAXDKOGVRCDQ-XLIONFOSSA-N 0 3 384.484 1.617 20 30 GDEDHN C=CCOCC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573344164 947568649 /nfs/dbraw/zinc/56/86/49/947568649.db2.gz XRNSTVMOPDLQGP-MAUKXSAKSA-N 0 3 384.484 1.786 20 30 GDEDHN C=CCOCC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573344164 947568659 /nfs/dbraw/zinc/56/86/59/947568659.db2.gz XRNSTVMOPDLQGP-MAUKXSAKSA-N 0 3 384.484 1.786 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573350561 947599390 /nfs/dbraw/zinc/59/93/90/947599390.db2.gz GLMYLMHDSIISHT-UHOSZYNNSA-N 0 3 396.495 1.738 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573350561 947599399 /nfs/dbraw/zinc/59/93/99/947599399.db2.gz GLMYLMHDSIISHT-UHOSZYNNSA-N 0 3 396.495 1.738 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573350561 947599405 /nfs/dbraw/zinc/59/94/05/947599405.db2.gz GLMYLMHDSIISHT-UHOSZYNNSA-N 0 3 396.495 1.738 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573350561 947599414 /nfs/dbraw/zinc/59/94/14/947599414.db2.gz GLMYLMHDSIISHT-UHOSZYNNSA-N 0 3 396.495 1.738 20 30 GDEDHN C[C@@H]1[C@@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575908164 950354385 /nfs/dbraw/zinc/35/43/85/950354385.db2.gz AOVMSFCNRQUZIA-WBMJQRKESA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@@H]1[C@@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575908164 950354404 /nfs/dbraw/zinc/35/44/04/950354404.db2.gz AOVMSFCNRQUZIA-WBMJQRKESA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575908370 950363923 /nfs/dbraw/zinc/36/39/23/950363923.db2.gz BJUDYJTYAQQRTI-MLGOLLRUSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575908370 950363943 /nfs/dbraw/zinc/36/39/43/950363943.db2.gz BJUDYJTYAQQRTI-MLGOLLRUSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@H](CNC(=O)c1cc(C#N)c[nH]1)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574996036 950522434 /nfs/dbraw/zinc/52/24/34/950522434.db2.gz KBKPUVDAIXJYFL-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@H](CNC(=O)c1cc(C#N)c[nH]1)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574996036 950522447 /nfs/dbraw/zinc/52/24/47/950522447.db2.gz KBKPUVDAIXJYFL-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@@H](CN(C)C(=O)c1ccc(C#N)[nH]1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574753413 950528850 /nfs/dbraw/zinc/52/88/50/950528850.db2.gz MUYDQJGJHOTVEC-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)CSCC#N ZINC001575104853 951888206 /nfs/dbraw/zinc/88/82/06/951888206.db2.gz FGTQIORFEPICDE-LLVKDONJSA-N 0 3 377.449 1.199 20 30 GDEDHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)CSCC#N ZINC001575104853 951888213 /nfs/dbraw/zinc/88/82/13/951888213.db2.gz FGTQIORFEPICDE-LLVKDONJSA-N 0 3 377.449 1.199 20 30 GDEDHN N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)c1 ZINC001571120654 952507145 /nfs/dbraw/zinc/50/71/45/952507145.db2.gz OVOGKOZOOZKEQM-JNSHFYNHSA-N 0 3 376.424 1.365 20 30 GDEDHN N#Cc1c[nH]c(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)c1 ZINC001571120654 952507150 /nfs/dbraw/zinc/50/71/50/952507150.db2.gz OVOGKOZOOZKEQM-JNSHFYNHSA-N 0 3 376.424 1.365 20 30 GDEDHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001571120922 952511359 /nfs/dbraw/zinc/51/13/59/952511359.db2.gz UBQBRZUVLSCSFN-WBMJQRKESA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001571120922 952511365 /nfs/dbraw/zinc/51/13/65/952511365.db2.gz UBQBRZUVLSCSFN-WBMJQRKESA-N 0 3 376.424 1.459 20 30 GDEDHN C=CCN1CCC(NC(=O)NCCN(C)S(=O)(=O)c2cccs2)CC1 ZINC000178954506 530732254 /nfs/dbraw/zinc/73/22/54/530732254.db2.gz DQVZLKGQOSZQMZ-UHFFFAOYSA-N 0 3 386.543 1.318 20 30 GDEDHN N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261919298 531102945 /nfs/dbraw/zinc/10/29/45/531102945.db2.gz YMOCPWWFZRQLIP-ZDUSSCGKSA-N 0 3 396.822 1.326 20 30 GDEDHN N#CC(C(=O)Nc1ccc(Br)cc1Cl)c1nc(N)nc(N)n1 ZINC000155484639 531200674 /nfs/dbraw/zinc/20/06/74/531200674.db2.gz JAGUWLPDJCLXRF-ZCFIWIBFSA-N 0 3 382.609 1.698 20 30 GDEDHN C=CCNc1nnc(S(=O)(=O)C(C)C(=O)NCc2ccc(F)cc2)s1 ZINC000479000956 531351209 /nfs/dbraw/zinc/35/12/09/531351209.db2.gz OUXJKIPIQOTMIN-SNVBAGLBSA-N 0 3 384.458 1.754 20 30 GDEDHN C=CCN(CC=C)[C@H](CNC(=O)NCCOCCS(C)(=O)=O)C(C)C ZINC000266704228 531363171 /nfs/dbraw/zinc/36/31/71/531363171.db2.gz XIEIEYNAHNFKHA-MRXNPFEDSA-N 0 3 375.535 1.045 20 30 GDEDHN CN(C)CCN1C[C@H](C(=O)N[C@H](C#N)c2ccc(Br)cc2)CC1=O ZINC000266860360 531373925 /nfs/dbraw/zinc/37/39/25/531373925.db2.gz UPSVZFOHEGMIOR-UKRRQHHQSA-N 0 3 393.285 1.540 20 30 GDEDHN C=CCN1CCC(Nc2ncc(Br)cc2S(N)(=O)=O)CC1 ZINC000532829803 531425618 /nfs/dbraw/zinc/42/56/18/531425618.db2.gz QUWWMANLHUHVER-UHFFFAOYSA-N 0 3 375.292 1.554 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1NCC(=O)NCC(=O)Nc1ccccc1Br ZINC000451606232 531646609 /nfs/dbraw/zinc/64/66/09/531646609.db2.gz MTWRLDFGJVTHJX-KGLIPLIRSA-N 0 3 382.258 1.437 20 30 GDEDHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)c(Br)c3)[C@@H]2C1 ZINC000590282690 531688351 /nfs/dbraw/zinc/68/83/51/531688351.db2.gz WNVWDXISQXUKOQ-BXUZGUMPSA-N 0 3 377.242 1.422 20 30 GDEDHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000601492242 532067307 /nfs/dbraw/zinc/06/73/07/532067307.db2.gz MUDOZNOEGIEMKJ-GRYCIOLGSA-N 0 3 385.408 1.118 20 30 GDEDHN C=CCS(=O)(=O)CCN[C@@H](C)C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000375077264 532146865 /nfs/dbraw/zinc/14/68/65/532146865.db2.gz ACEBJMSVRKEGAK-GJZGRUSLSA-N 0 3 376.519 1.591 20 30 GDEDHN COCCCN(C)CCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287491000 532218334 /nfs/dbraw/zinc/21/83/34/532218334.db2.gz FZVHBBAROITENR-UHFFFAOYSA-N 0 3 397.273 1.344 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@](C)(O)C(F)(F)F)cc1 ZINC000287495573 532218810 /nfs/dbraw/zinc/21/88/10/532218810.db2.gz ZYCSDSWKXPQTMS-RNCFNFMXSA-N 0 3 379.360 1.807 20 30 GDEDHN CN(C[C@H]1CCCN1C)C(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000421314983 646005101 /nfs/dbraw/zinc/00/51/01/646005101.db2.gz ZIBMVPPKCZESCZ-GFCCVEGCSA-N 0 3 379.258 1.812 20 30 GDEDHN N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000452388019 647322343 /nfs/dbraw/zinc/32/23/43/647322343.db2.gz VTGVFDCPUCWTFM-ZDUSSCGKSA-N 0 3 396.285 1.663 20 30 GDEDHN N#Cc1ccc(OCC(=O)NC[C@@]2(O)CN3CCC2CC3)cc1Br ZINC000573019349 651466032 /nfs/dbraw/zinc/46/60/32/651466032.db2.gz VDGBYUKJLQFPDP-QGZVFWFLSA-N 0 3 394.269 1.272 20 30 GDEDHN COCCN(C)C[C@H](O)COc1ccc(C#N)cc1I ZINC000573505734 651481848 /nfs/dbraw/zinc/48/18/48/651481848.db2.gz LVEZXFUISPYRHB-LBPRGKRZSA-N 0 3 390.221 1.481 20 30 GDEDHN N#Cc1cc(Br)cnc1N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000590695086 652141791 /nfs/dbraw/zinc/14/17/91/652141791.db2.gz FMZYTQIJYNXWOM-AWEZNQCLSA-N 0 3 378.274 1.634 20 30 GDEDHN N#Cc1cc(Br)cnc1N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000590695087 652141853 /nfs/dbraw/zinc/14/18/53/652141853.db2.gz FMZYTQIJYNXWOM-CQSZACIVSA-N 0 3 378.274 1.634 20 30 GDEDHN N#CC1(NC(=O)CN[C@]2(CO)CCc3cc(Br)ccc3C2)CCC1 ZINC000599573799 652508994 /nfs/dbraw/zinc/50/89/94/652508994.db2.gz XXHSFWAGSXREJT-GOSISDBHSA-N 0 3 392.297 1.821 20 30 GDEDHN CCN(CC)CC(=O)N1CCN(c2cc(Br)cnc2C#N)CC1 ZINC000787897110 654975032 /nfs/dbraw/zinc/97/50/32/654975032.db2.gz SYCRWZTTZIRLIM-UHFFFAOYSA-N 0 3 380.290 1.706 20 30 GDEDHN COc1ccc(C=NNC(=S)NCCC[NH+](C)C)c(Br)c1[O-] ZINC000761011838 655130773 /nfs/dbraw/zinc/13/07/73/655130773.db2.gz JJJBXGBBXPYHBG-UHFFFAOYSA-N 0 3 389.319 1.913 20 30 GDEDHN N#CC(C(=O)CCSCc1ccccc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000796716340 655218610 /nfs/dbraw/zinc/21/86/10/655218610.db2.gz ZGSBOALLWRSKKX-OAHLLOKOSA-N 0 3 380.491 1.276 20 30 GDEDHN C#CCNC(=O)CCN[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000766039762 655256444 /nfs/dbraw/zinc/25/64/44/655256444.db2.gz WBKKNTDCPOROMA-INIZCTEOSA-N 0 3 392.297 1.982 20 30 GDEDHN C#CC[N@@H+](C)CCC[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000815083242 655286133 /nfs/dbraw/zinc/28/61/33/655286133.db2.gz SUUCXZSNPCSVPJ-UHFFFAOYSA-N 0 3 393.278 1.830 20 30 GDEDHN C#CC[N@H+](C)CCC[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000815083242 655286138 /nfs/dbraw/zinc/28/61/38/655286138.db2.gz SUUCXZSNPCSVPJ-UHFFFAOYSA-N 0 3 393.278 1.830 20 30 GDEDHN C=CCS(=O)(=O)CCNC[C@H](O)COc1ccc(Br)cc1 ZINC000819223367 655388348 /nfs/dbraw/zinc/38/83/48/655388348.db2.gz ZNMFCIJKCXULKT-ZDUSSCGKSA-N 0 3 378.288 1.379 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000876553141 656612978 /nfs/dbraw/zinc/61/29/78/656612978.db2.gz IFROLQLTSWWGHE-AWEZNQCLSA-N 0 3 392.308 1.643 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](O)COc1ccccc1Br ZINC000876689814 656624165 /nfs/dbraw/zinc/62/41/65/656624165.db2.gz BVRNMAHNRKXWNC-CMPLNLGQSA-N 0 3 377.666 1.775 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000876750095 656627675 /nfs/dbraw/zinc/62/76/75/656627675.db2.gz DRZKPQAWERXLHR-OAHLLOKOSA-N 0 3 385.295 1.575 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000876906573 656638510 /nfs/dbraw/zinc/63/85/10/656638510.db2.gz CATNTOIXFNFYLL-ZDUSSCGKSA-N 0 3 375.853 1.452 20 30 GDEDHN C=C(C)CN1CCC(NC(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)CC1 ZINC000881118287 656919926 /nfs/dbraw/zinc/91/99/26/656919926.db2.gz ASZZPMOANAQZIE-UHFFFAOYSA-N 0 3 384.527 1.776 20 30 GDEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2CNCCN2C)nc1C ZINC000912215591 660029713 /nfs/dbraw/zinc/02/97/13/660029713.db2.gz XRONZBXXOOBWSM-JTQLQIEISA-N 0 3 379.515 1.027 20 30 GDEDHN N#Cc1cccc(C[NH2+]C[C@H]2CCCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC001571299187 946243465 /nfs/dbraw/zinc/24/34/65/946243465.db2.gz OVJQVHZDWBDCCJ-QGZVFWFLSA-N 0 3 390.451 1.851 20 30 GDEDHN C#CCCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)C[C@@H]2C1 ZINC001573283578 946719992 /nfs/dbraw/zinc/71/99/92/946719992.db2.gz KJMOXXNPXKOZIA-HDICACEKSA-N 0 3 378.480 1.951 20 30 GDEDHN C#CCCCCC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)C[C@@H]2C1 ZINC001573283578 946719998 /nfs/dbraw/zinc/71/99/98/946719998.db2.gz KJMOXXNPXKOZIA-HDICACEKSA-N 0 3 378.480 1.951 20 30 GDEDHN C#CCCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[n-]n3)C[C@@H]2C1 ZINC001573283578 946720008 /nfs/dbraw/zinc/72/00/08/946720008.db2.gz KJMOXXNPXKOZIA-HDICACEKSA-N 0 3 378.480 1.951 20 30 GDEDHN C#CCCCCC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3-c3nn[n-]n3)C[C@@H]2C1 ZINC001573283578 946720020 /nfs/dbraw/zinc/72/00/20/946720020.db2.gz KJMOXXNPXKOZIA-HDICACEKSA-N 0 3 378.480 1.951 20 30 GDEDHN C#CCO[C@H](C)C(=O)NC1CC(C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573286636 946814556 /nfs/dbraw/zinc/81/45/56/946814556.db2.gz GTAYHTIRGZUATN-VEAWUBTESA-N 0 3 386.431 1.029 20 30 GDEDHN C#CCOCCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573288632 946873637 /nfs/dbraw/zinc/87/36/37/946873637.db2.gz WOHMERISKAZMGH-SJLPKXTDSA-N 0 3 382.468 1.281 20 30 GDEDHN C#CCOCCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573288632 946873651 /nfs/dbraw/zinc/87/36/51/946873651.db2.gz WOHMERISKAZMGH-SJLPKXTDSA-N 0 3 382.468 1.281 20 30 GDEDHN C[C@H](C#N)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)C1 ZINC001573567916 947060583 /nfs/dbraw/zinc/06/05/83/947060583.db2.gz UXOJCUCNOPSQTD-BFUOFWGJSA-N 0 3 383.431 1.590 20 30 GDEDHN C[C@H](C#N)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)C1 ZINC001573567916 947060589 /nfs/dbraw/zinc/06/05/89/947060589.db2.gz UXOJCUCNOPSQTD-BFUOFWGJSA-N 0 3 383.431 1.590 20 30 GDEDHN C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001573299549 947097983 /nfs/dbraw/zinc/09/79/83/947097983.db2.gz UJXVFLJSVUVRSN-GUYCJALGSA-N 0 3 375.864 1.779 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N[C@H](C)CC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573309398 947198461 /nfs/dbraw/zinc/19/84/61/947198461.db2.gz IJQPRHWLKVFPEN-KZULUSFZSA-N 0 3 376.436 1.317 20 30 GDEDHN C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC001573585340 947253862 /nfs/dbraw/zinc/25/38/62/947253862.db2.gz OWAVGLMBYUWDDI-WIBUTAKZSA-N 0 3 379.468 1.887 20 30 GDEDHN C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC001573585340 947253875 /nfs/dbraw/zinc/25/38/75/947253875.db2.gz OWAVGLMBYUWDDI-WIBUTAKZSA-N 0 3 379.468 1.887 20 30 GDEDHN C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001573585340 947253888 /nfs/dbraw/zinc/25/38/88/947253888.db2.gz OWAVGLMBYUWDDI-WIBUTAKZSA-N 0 3 379.468 1.887 20 30 GDEDHN C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001573585340 947253902 /nfs/dbraw/zinc/25/39/02/947253902.db2.gz OWAVGLMBYUWDDI-WIBUTAKZSA-N 0 3 379.468 1.887 20 30 GDEDHN C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC001573585911 947273364 /nfs/dbraw/zinc/27/33/64/947273364.db2.gz JQILBXWWBCJMDS-XEZPLFJOSA-N 0 3 385.447 1.930 20 30 GDEDHN C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC001573585911 947273374 /nfs/dbraw/zinc/27/33/74/947273374.db2.gz JQILBXWWBCJMDS-XEZPLFJOSA-N 0 3 385.447 1.930 20 30 GDEDHN C=CCOCC(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573343414 947556866 /nfs/dbraw/zinc/55/68/66/947556866.db2.gz OZICZIGWDYJUFQ-WMZOPIPTSA-N 0 3 384.484 1.834 20 30 GDEDHN C=CCOCC(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573343414 947556871 /nfs/dbraw/zinc/55/68/71/947556871.db2.gz OZICZIGWDYJUFQ-WMZOPIPTSA-N 0 3 384.484 1.834 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573351314 947612807 /nfs/dbraw/zinc/61/28/07/947612807.db2.gz QHBYTOODAOJRLJ-QEORTHHSSA-N 0 3 388.447 1.533 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573351314 947612815 /nfs/dbraw/zinc/61/28/15/947612815.db2.gz QHBYTOODAOJRLJ-QEORTHHSSA-N 0 3 388.447 1.533 20 30 GDEDHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575908139 950355101 /nfs/dbraw/zinc/35/51/01/950355101.db2.gz AMTRCCVQAIWPLD-SJCJKPOMSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575908139 950355123 /nfs/dbraw/zinc/35/51/23/950355123.db2.gz AMTRCCVQAIWPLD-SJCJKPOMSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574745164 950371535 /nfs/dbraw/zinc/37/15/35/950371535.db2.gz GCZVBMLLJOMUNR-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574745164 950371553 /nfs/dbraw/zinc/37/15/53/950371553.db2.gz GCZVBMLLJOMUNR-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575081180 951719444 /nfs/dbraw/zinc/71/94/44/951719444.db2.gz PEYPQLOVQIBTSW-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575081180 951719452 /nfs/dbraw/zinc/71/94/52/951719452.db2.gz PEYPQLOVQIBTSW-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091385 951775311 /nfs/dbraw/zinc/77/53/11/951775311.db2.gz SGBCHWJBDGESER-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091385 951775315 /nfs/dbraw/zinc/77/53/15/951775315.db2.gz SGBCHWJBDGESER-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN C[N@H+](Cc1ccccc1-c1nnn[n-]1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001571119886 952496866 /nfs/dbraw/zinc/49/68/66/952496866.db2.gz HEHKHGSBTRBPJI-INIZCTEOSA-N 0 3 376.424 1.413 20 30 GDEDHN C[N@@H+](Cc1ccccc1-c1nnn[n-]1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001571119886 952496870 /nfs/dbraw/zinc/49/68/70/952496870.db2.gz HEHKHGSBTRBPJI-INIZCTEOSA-N 0 3 376.424 1.413 20 30 GDEDHN C[N@H+](Cc1ccccc1-c1nn[n-]n1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001571119886 952496875 /nfs/dbraw/zinc/49/68/75/952496875.db2.gz HEHKHGSBTRBPJI-INIZCTEOSA-N 0 3 376.424 1.413 20 30 GDEDHN C[N@@H+](Cc1ccccc1-c1nn[n-]n1)[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001571119886 952496880 /nfs/dbraw/zinc/49/68/80/952496880.db2.gz HEHKHGSBTRBPJI-INIZCTEOSA-N 0 3 376.424 1.413 20 30 GDEDHN N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)c1 ZINC001571154722 952689332 /nfs/dbraw/zinc/68/93/32/952689332.db2.gz AGTLNXHXJMWLFL-BETUJISGSA-N 0 3 380.387 1.256 20 30 GDEDHN N#Cc1c[nH]c(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)c1 ZINC001571154722 952689337 /nfs/dbraw/zinc/68/93/37/952689337.db2.gz AGTLNXHXJMWLFL-BETUJISGSA-N 0 3 380.387 1.256 20 30 GDEDHN N#Cc1c(Cl)cccc1S(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1 ZINC000157084517 531206110 /nfs/dbraw/zinc/20/61/10/531206110.db2.gz WEUZBXOTIGHMKB-GFCCVEGCSA-N 0 3 384.889 1.077 20 30 GDEDHN C=CCOc1ccc(Br)cc1NC(=O)C(=O)N(C)CCN(C)C ZINC000411333950 531316465 /nfs/dbraw/zinc/31/64/65/531316465.db2.gz BPUFQVOKJXZYCT-UHFFFAOYSA-N 0 3 384.274 1.972 20 30 GDEDHN C=C(C)CN1CCC(NC(=O)c2cnn(C)c2I)CC1 ZINC000292995328 531394004 /nfs/dbraw/zinc/39/40/04/531394004.db2.gz FOQOAUXDEACWSM-UHFFFAOYSA-N 0 3 388.253 1.795 20 30 GDEDHN C#CC[N@H+](C)CCC[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000293924160 531452818 /nfs/dbraw/zinc/45/28/18/531452818.db2.gz YEJSUZUTZUPEMB-UHFFFAOYSA-N 0 3 375.853 1.671 20 30 GDEDHN C#CC[N@@H+](C)CCC[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000293924160 531452823 /nfs/dbraw/zinc/45/28/23/531452823.db2.gz YEJSUZUTZUPEMB-UHFFFAOYSA-N 0 3 375.853 1.671 20 30 GDEDHN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)C1CC1 ZINC000559628619 531606632 /nfs/dbraw/zinc/60/66/32/531606632.db2.gz ORLGQGHTSSQGOA-AWEZNQCLSA-N 0 3 379.258 1.716 20 30 GDEDHN Cc1ncsc1CN(C)C[C@@H]1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C1 ZINC000282387856 531747895 /nfs/dbraw/zinc/74/78/95/531747895.db2.gz RGSWAOCJXLSGAL-ZFWWWQNUSA-N 0 3 385.559 1.542 20 30 GDEDHN C=CCNc1nnc(S(=O)(=O)C(C)C(=O)NCc2ccccc2F)s1 ZINC000453026255 531808525 /nfs/dbraw/zinc/80/85/25/531808525.db2.gz RFNYIUZNBBNXOL-JTQLQIEISA-N 0 3 384.458 1.754 20 30 GDEDHN C=CC(C)(C)CCNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000629586902 531984802 /nfs/dbraw/zinc/98/48/02/531984802.db2.gz DPDGWIPLBLSHLA-UHFFFAOYSA-N 0 3 388.555 1.903 20 30 GDEDHN CN(C)CC[C@](C)(O)CNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000420005031 531995914 /nfs/dbraw/zinc/99/59/14/531995914.db2.gz XBBKJCHOZLFNJS-INIZCTEOSA-N 0 3 384.274 1.518 20 30 GDEDHN N#CCCC[C@@H](N)C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000602543914 532080062 /nfs/dbraw/zinc/08/00/62/532080062.db2.gz CMCSGAYEAJBQEU-KGLIPLIRSA-N 0 3 379.258 1.692 20 30 GDEDHN CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@H](N)CCCC#N ZINC000424145606 532084364 /nfs/dbraw/zinc/08/43/64/532084364.db2.gz VEHCDEZUJRWXNT-OAHLLOKOSA-N 0 3 395.301 1.935 20 30 GDEDHN N#Cc1ncn(CCNCc2ccc(Br)cc2N2CCOCC2)n1 ZINC000285665195 532103018 /nfs/dbraw/zinc/10/30/18/532103018.db2.gz ZGTVNUHCISCGBC-UHFFFAOYSA-N 0 3 391.273 1.539 20 30 GDEDHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287484312 532217609 /nfs/dbraw/zinc/21/76/09/532217609.db2.gz FQIMJPDBUAQXCG-ZDUSSCGKSA-N 0 3 379.258 1.860 20 30 GDEDHN C=CC[C@H](CO)CN[C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430698437 532255140 /nfs/dbraw/zinc/25/51/40/532255140.db2.gz VFBUMGWJHMJJRM-MNOVXSKESA-N 0 3 377.304 1.932 20 30 GDEDHN CCN1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3ccc(C#N)s3)C2)[C@@H]1C(C)C ZINC000920301853 660269216 /nfs/dbraw/zinc/26/92/16/660269216.db2.gz GTMCVCPLOYOEFG-JHNDHUHGSA-N 0 3 383.539 1.768 20 30 GDEDHN N#Cc1ccc(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)c(Cl)c1 ZINC000503500986 648189124 /nfs/dbraw/zinc/18/91/24/648189124.db2.gz CEZVQNSKFIQTCH-CYBMUJFWSA-N 0 3 384.889 1.077 20 30 GDEDHN CN1CCC[C@@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 ZINC000592759337 652202419 /nfs/dbraw/zinc/20/24/19/652202419.db2.gz XFXOTDLDNFIFRF-OAHLLOKOSA-N 0 3 377.286 1.967 20 30 GDEDHN CN1CCN(CC2CN(C(=O)c3ccc(Br)cc3C#N)C2)CC1 ZINC000597694197 652457163 /nfs/dbraw/zinc/45/71/63/652457163.db2.gz JTBUSIIWAXEULS-UHFFFAOYSA-N 0 3 377.286 1.640 20 30 GDEDHN C=C(C)COCCN[C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000773057050 654579276 /nfs/dbraw/zinc/57/92/76/654579276.db2.gz CAECVDDMLNIWFH-CQSZACIVSA-N 0 3 390.527 1.656 20 30 GDEDHN COCCNC(=O)C(C#N)C(=O)COc1cccc(Br)c1C#N ZINC000835061843 655084487 /nfs/dbraw/zinc/08/44/87/655084487.db2.gz PRJYOYXESXMSDD-LLVKDONJSA-N 0 3 380.198 1.171 20 30 GDEDHN C#CCN(C)CCCNC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000838622825 655221046 /nfs/dbraw/zinc/22/10/46/655221046.db2.gz PIHFJRGANYWDNT-CYBMUJFWSA-N 0 3 388.295 1.987 20 30 GDEDHN N#CC(C(=O)Cn1ccc(Br)cc1=O)C(=O)NC1CCCCC1 ZINC000870139124 656218753 /nfs/dbraw/zinc/21/87/53/656218753.db2.gz RLXSDOPPYUOJDK-CYBMUJFWSA-N 0 3 380.242 1.769 20 30 GDEDHN N#Cc1ccc(Br)c(CN[C@H]2CCN(CCN3CCOCC3)C2)c1 ZINC000921747480 656405171 /nfs/dbraw/zinc/40/51/71/656405171.db2.gz PEVVMYGJXJKBBY-KRWDZBQOSA-N 0 3 393.329 1.817 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 ZINC000876599720 656616754 /nfs/dbraw/zinc/61/67/54/656616754.db2.gz IZQVAQGOQYIEPK-HNNXBMFYSA-N 0 3 392.953 1.110 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 ZINC000876625843 656619211 /nfs/dbraw/zinc/61/92/11/656619211.db2.gz GVCFGNUWFAPQAJ-CYBMUJFWSA-N 0 3 391.946 1.668 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 ZINC000876710247 656625997 /nfs/dbraw/zinc/62/59/97/656625997.db2.gz FYANHZNPJPUURB-AWEZNQCLSA-N 0 3 385.295 1.893 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000876902133 656638596 /nfs/dbraw/zinc/63/85/96/656638596.db2.gz MTTAMBHNQMZBGB-INIZCTEOSA-N 0 3 385.917 1.698 20 30 GDEDHN C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000879991354 656851470 /nfs/dbraw/zinc/85/14/70/656851470.db2.gz WQBZEAZLHJPKTN-ZIAGYGMSSA-N 0 3 375.897 1.595 20 30 GDEDHN C#CCN(C(=O)C(=O)NCc1ccccc1Br)C1CCN(C)CC1 ZINC000929329229 656960373 /nfs/dbraw/zinc/96/03/73/656960373.db2.gz AHRIPYDSIRAJIR-UHFFFAOYSA-N 0 3 392.297 1.621 20 30 GDEDHN C#CCN(C(=O)C(=O)NCc1cc(Br)cs1)C1CCN(C)CC1 ZINC000929545177 656971500 /nfs/dbraw/zinc/97/15/00/656971500.db2.gz OBNAHWOEZMUBMD-UHFFFAOYSA-N 0 3 398.326 1.683 20 30 GDEDHN C#CCN(C(=O)C(=O)NCCSCCC(F)(F)F)C1CCN(C)CC1 ZINC000931142893 657073236 /nfs/dbraw/zinc/07/32/36/657073236.db2.gz TUDJYDFHRZUZBZ-UHFFFAOYSA-N 0 3 379.448 1.344 20 30 GDEDHN N#Cc1nc(NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)ccc1Br ZINC000883084312 657268710 /nfs/dbraw/zinc/26/87/10/657268710.db2.gz NXCZPKSSSXCHLW-QWRGUYRKSA-N 0 3 380.246 1.700 20 30 GDEDHN COCCNC(=O)C(C#N)C(=O)COCCc1ccc(Br)cc1 ZINC000892492254 658329268 /nfs/dbraw/zinc/32/92/68/658329268.db2.gz SHJCQMLHNSPTFD-AWEZNQCLSA-N 0 3 383.242 1.480 20 30 GDEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@@H]2CCCN2CC(F)(F)F)c1 ZINC000905566449 659465817 /nfs/dbraw/zinc/46/58/17/659465817.db2.gz WJLRYUHFTAGJPR-AWEZNQCLSA-N 0 3 375.416 1.948 20 30 GDEDHN C=CCCC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000912055805 660025902 /nfs/dbraw/zinc/02/59/02/660025902.db2.gz FDNNBQJVNOKYNL-OAHLLOKOSA-N 0 3 385.917 1.857 20 30 GDEDHN CNC(=O)CN1CCCC12CCN(c1ccc(C3(C#N)CCOCC3)cn1)CC2 ZINC001164690036 719737465 /nfs/dbraw/zinc/73/74/65/719737465.db2.gz QIZKYWRMQPJFSM-UHFFFAOYSA-N 0 3 397.523 1.834 20 30 GDEDHN N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cc1 ZINC001571298165 946207784 /nfs/dbraw/zinc/20/77/84/946207784.db2.gz AXUAXPVBGARUJT-SJORKVTESA-N 0 3 390.451 1.897 20 30 GDEDHN N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cc1 ZINC001571298165 946207794 /nfs/dbraw/zinc/20/77/94/946207794.db2.gz AXUAXPVBGARUJT-SJORKVTESA-N 0 3 390.451 1.897 20 30 GDEDHN C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001571299858 946263434 /nfs/dbraw/zinc/26/34/34/946263434.db2.gz WSTNLCKQLUDVKW-CZUORRHYSA-N 0 3 390.451 1.849 20 30 GDEDHN C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001571299858 946263445 /nfs/dbraw/zinc/26/34/45/946263445.db2.gz WSTNLCKQLUDVKW-CZUORRHYSA-N 0 3 390.451 1.849 20 30 GDEDHN CC1(C)CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001571299997 946270075 /nfs/dbraw/zinc/27/00/75/946270075.db2.gz XTMKTLJQCUIVKN-KRWDZBQOSA-N 0 3 390.451 1.707 20 30 GDEDHN CC1(C)CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001571299997 946270086 /nfs/dbraw/zinc/27/00/86/946270086.db2.gz XTMKTLJQCUIVKN-KRWDZBQOSA-N 0 3 390.451 1.707 20 30 GDEDHN C#CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573283595 946719313 /nfs/dbraw/zinc/71/93/13/946719313.db2.gz VNNVZHVLYIEUEL-QAPCUYQASA-N 0 3 381.484 1.925 20 30 GDEDHN C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573283595 946719321 /nfs/dbraw/zinc/71/93/21/946719321.db2.gz VNNVZHVLYIEUEL-QAPCUYQASA-N 0 3 381.484 1.925 20 30 GDEDHN C#CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573283595 946719326 /nfs/dbraw/zinc/71/93/26/946719326.db2.gz VNNVZHVLYIEUEL-QAPCUYQASA-N 0 3 381.484 1.925 20 30 GDEDHN C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573283595 946719333 /nfs/dbraw/zinc/71/93/33/946719333.db2.gz VNNVZHVLYIEUEL-QAPCUYQASA-N 0 3 381.484 1.925 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573286497 946808570 /nfs/dbraw/zinc/80/85/70/946808570.db2.gz CPNDZZVJABDWDX-MAUKXSAKSA-N 0 3 382.468 1.376 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573286497 946808575 /nfs/dbraw/zinc/80/85/75/946808575.db2.gz CPNDZZVJABDWDX-MAUKXSAKSA-N 0 3 382.468 1.376 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573286497 946808583 /nfs/dbraw/zinc/80/85/83/946808583.db2.gz CPNDZZVJABDWDX-MAUKXSAKSA-N 0 3 382.468 1.376 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573286497 946808592 /nfs/dbraw/zinc/80/85/92/946808592.db2.gz CPNDZZVJABDWDX-MAUKXSAKSA-N 0 3 382.468 1.376 20 30 GDEDHN C#Cc1ccc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)cn1 ZINC001573289740 946890985 /nfs/dbraw/zinc/89/09/85/946890985.db2.gz PUFQYAGPFVNNHQ-IFXJQAMLSA-N 0 3 387.447 1.493 20 30 GDEDHN C#Cc1ccc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)cn1 ZINC001573289740 946891002 /nfs/dbraw/zinc/89/10/02/946891002.db2.gz PUFQYAGPFVNNHQ-IFXJQAMLSA-N 0 3 387.447 1.493 20 30 GDEDHN C#Cc1cncc(C(=O)N2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C[C@@H]2C)c1 ZINC001573290989 946912521 /nfs/dbraw/zinc/91/25/21/946912521.db2.gz UMFZZSHRQZPCSB-IFXJQAMLSA-N 0 3 387.447 1.636 20 30 GDEDHN C#Cc1cncc(C(=O)NC[C@H](C)C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC001573292363 946934028 /nfs/dbraw/zinc/93/40/28/946934028.db2.gz UOBJPDWCTNTEKI-CQSZACIVSA-N 0 3 375.436 1.399 20 30 GDEDHN C#Cc1cncc(C(=O)NC[C@H](C)C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC001573292363 946934037 /nfs/dbraw/zinc/93/40/37/946934037.db2.gz UOBJPDWCTNTEKI-CQSZACIVSA-N 0 3 375.436 1.399 20 30 GDEDHN C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573293658 946963180 /nfs/dbraw/zinc/96/31/80/946963180.db2.gz FNUVFOFNKVTTML-SCNOPHJPSA-N 0 3 381.484 1.943 20 30 GDEDHN C=C(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573293658 946963183 /nfs/dbraw/zinc/96/31/83/946963183.db2.gz FNUVFOFNKVTTML-SCNOPHJPSA-N 0 3 381.484 1.943 20 30 GDEDHN C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573293658 946963186 /nfs/dbraw/zinc/96/31/86/946963186.db2.gz FNUVFOFNKVTTML-SCNOPHJPSA-N 0 3 381.484 1.943 20 30 GDEDHN C=C(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573293658 946963188 /nfs/dbraw/zinc/96/31/88/946963188.db2.gz FNUVFOFNKVTTML-SCNOPHJPSA-N 0 3 381.484 1.943 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001573567636 947048345 /nfs/dbraw/zinc/04/83/45/947048345.db2.gz PPPPOCNUSFAAJJ-QRWLVFNGSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001573567636 947048362 /nfs/dbraw/zinc/04/83/62/947048362.db2.gz PPPPOCNUSFAAJJ-QRWLVFNGSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@H](C#N)C(=O)NCC[C@@H]1C[N@H+](Cc2cc(F)ccc2-c2nnn[n-]2)C[C@H]1C ZINC001573584084 947210341 /nfs/dbraw/zinc/21/03/41/947210341.db2.gz QGYPBSYGWQRZEA-MGPQQGTHSA-N 0 3 385.447 1.740 20 30 GDEDHN C[C@H](C#N)C(=O)NCC[C@@H]1C[N@@H+](Cc2cc(F)ccc2-c2nnn[n-]2)C[C@H]1C ZINC001573584084 947210349 /nfs/dbraw/zinc/21/03/49/947210349.db2.gz QGYPBSYGWQRZEA-MGPQQGTHSA-N 0 3 385.447 1.740 20 30 GDEDHN C[C@H](C#N)C(=O)NCC[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001573584230 947215659 /nfs/dbraw/zinc/21/56/59/947215659.db2.gz RQSAWXTYPZAIQP-UMVBOHGHSA-N 0 3 385.447 1.740 20 30 GDEDHN C[C@H](C#N)C(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001573584230 947215667 /nfs/dbraw/zinc/21/56/67/947215667.db2.gz RQSAWXTYPZAIQP-UMVBOHGHSA-N 0 3 385.447 1.740 20 30 GDEDHN C[C@H](C#N)C(=O)NCC[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001573584230 947215672 /nfs/dbraw/zinc/21/56/72/947215672.db2.gz RQSAWXTYPZAIQP-UMVBOHGHSA-N 0 3 385.447 1.740 20 30 GDEDHN C[C@H](C#N)C(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001573584230 947215679 /nfs/dbraw/zinc/21/56/79/947215679.db2.gz RQSAWXTYPZAIQP-UMVBOHGHSA-N 0 3 385.447 1.740 20 30 GDEDHN C[NH+](C)Cc1ccc(C(N)=NOCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825870343 947352851 /nfs/dbraw/zinc/35/28/51/947352851.db2.gz HXUIWXOQGYVOIO-UHFFFAOYSA-N 0 3 381.440 1.644 20 30 GDEDHN C=CCCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573336101 947501744 /nfs/dbraw/zinc/50/17/44/947501744.db2.gz IMWMIMLHRCRWGN-DZGCQCFKSA-N 0 3 388.447 1.678 20 30 GDEDHN C=CCOCC(=O)NC[C@@]1(C)CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573342801 947548534 /nfs/dbraw/zinc/54/85/34/947548534.db2.gz DVNRORRSXDGUBA-HXUWFJFHSA-N 0 3 384.484 1.788 20 30 GDEDHN C=CCOCC(=O)NC[C@@]1(C)CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573342801 947548544 /nfs/dbraw/zinc/54/85/44/947548544.db2.gz DVNRORRSXDGUBA-HXUWFJFHSA-N 0 3 384.484 1.788 20 30 GDEDHN C=CCOCC(=O)NC[C@@]1(C)CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573342801 947548558 /nfs/dbraw/zinc/54/85/58/947548558.db2.gz DVNRORRSXDGUBA-HXUWFJFHSA-N 0 3 384.484 1.788 20 30 GDEDHN C=CCOCC(=O)NC[C@@]1(C)CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573342801 947548567 /nfs/dbraw/zinc/54/85/67/947548567.db2.gz DVNRORRSXDGUBA-HXUWFJFHSA-N 0 3 384.484 1.788 20 30 GDEDHN C=CCOCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573343558 947560370 /nfs/dbraw/zinc/56/03/70/947560370.db2.gz QEWWLXUSBWGSSA-CZUORRHYSA-N 0 3 388.447 1.583 20 30 GDEDHN C=CCOCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573343558 947560379 /nfs/dbraw/zinc/56/03/79/947560379.db2.gz QEWWLXUSBWGSSA-CZUORRHYSA-N 0 3 388.447 1.583 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573351178 947610179 /nfs/dbraw/zinc/61/01/79/947610179.db2.gz NONXIZLFVFHQCL-LZQZEXGQSA-N 0 3 396.495 1.786 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573351178 947610185 /nfs/dbraw/zinc/61/01/85/947610185.db2.gz NONXIZLFVFHQCL-LZQZEXGQSA-N 0 3 396.495 1.786 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573351862 947620783 /nfs/dbraw/zinc/62/07/83/947620783.db2.gz WJDXLNHTXAHJPT-NXHRZFHOSA-N 0 3 382.468 1.491 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573351862 947620790 /nfs/dbraw/zinc/62/07/90/947620790.db2.gz WJDXLNHTXAHJPT-NXHRZFHOSA-N 0 3 382.468 1.491 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573351862 947620795 /nfs/dbraw/zinc/62/07/95/947620795.db2.gz WJDXLNHTXAHJPT-NXHRZFHOSA-N 0 3 382.468 1.491 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573351862 947620799 /nfs/dbraw/zinc/62/07/99/947620799.db2.gz WJDXLNHTXAHJPT-NXHRZFHOSA-N 0 3 382.468 1.491 20 30 GDEDHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575905740 950298732 /nfs/dbraw/zinc/29/87/32/950298732.db2.gz DWZKDEOSZLIIDQ-WBMJQRKESA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575905740 950298754 /nfs/dbraw/zinc/29/87/54/950298754.db2.gz DWZKDEOSZLIIDQ-WBMJQRKESA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@@H]1[C@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575907371 950331280 /nfs/dbraw/zinc/33/12/80/950331280.db2.gz NQTWMZFMEKSVLY-ZWNOBZJWSA-N 0 3 382.453 1.521 20 30 GDEDHN C[C@H](CNC(=O)c1ccc(C#N)[nH]1)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575017387 950991130 /nfs/dbraw/zinc/99/11/30/950991130.db2.gz DTKIMKAMEZHWBW-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@H](CNC(=O)c1ccc(C#N)[nH]1)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575017387 950991139 /nfs/dbraw/zinc/99/11/39/950991139.db2.gz DTKIMKAMEZHWBW-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@](C[NH2+]Cc1cccc(C#N)c1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575113454 951941459 /nfs/dbraw/zinc/94/14/59/951941459.db2.gz BOVOZZKIRLYBFH-HXUWFJFHSA-N 0 3 390.451 1.755 20 30 GDEDHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000184927552 530833987 /nfs/dbraw/zinc/83/39/87/530833987.db2.gz KVINPTASPYFKJW-AWEZNQCLSA-N 0 3 384.933 1.764 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000481018919 531383078 /nfs/dbraw/zinc/38/30/78/531383078.db2.gz SIWVYSNELWEBQN-DGCLKSJQSA-N 0 3 385.467 1.071 20 30 GDEDHN C=C(C)CN1CCC(NC(=O)c2c(I)cnn2C)CC1 ZINC000292893725 531385896 /nfs/dbraw/zinc/38/58/96/531385896.db2.gz ULVYSIJAAFITQM-UHFFFAOYSA-N 0 3 388.253 1.795 20 30 GDEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000267079020 531394414 /nfs/dbraw/zinc/39/44/14/531394414.db2.gz PLNYHTPYMLASAU-JTQLQIEISA-N 0 3 381.422 1.288 20 30 GDEDHN C#CCN(C)CCCNC(=O)c1ccc(OC)cc1I ZINC000294009366 531456868 /nfs/dbraw/zinc/45/68/68/531456868.db2.gz PNHOBFZVBKEODA-UHFFFAOYSA-N 0 3 386.233 1.985 20 30 GDEDHN CN(C)CCN1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1=O ZINC000593210319 531821897 /nfs/dbraw/zinc/82/18/97/531821897.db2.gz CCCXCUOJFGADLI-UHFFFAOYSA-N 0 3 394.273 1.558 20 30 GDEDHN CC(C)N1CCN(C2CCN(S(=O)(=O)c3ccc(C#N)s3)CC2)CC1 ZINC000369180409 531948148 /nfs/dbraw/zinc/94/81/48/531948148.db2.gz XIAMWYWOHCMWFF-UHFFFAOYSA-N 0 3 382.555 1.799 20 30 GDEDHN C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(C#N)c2Br)CCN1C ZINC000419667971 531949405 /nfs/dbraw/zinc/94/94/05/531949405.db2.gz CPFQZSVGTFSHFF-PWSUYJOCSA-N 0 3 379.258 1.858 20 30 GDEDHN N#CC1(C[C@@H](O)CNCCS(=O)(=O)c2ccc(Cl)cc2)CCOCC1 ZINC000600720777 532051836 /nfs/dbraw/zinc/05/18/36/532051836.db2.gz QLVIOENDNUWKHT-OAHLLOKOSA-N 0 3 386.901 1.775 20 30 GDEDHN N#Cc1cccc(S(=O)(=O)CCNCCCn2cc(Br)cn2)c1 ZINC000323887922 532070976 /nfs/dbraw/zinc/07/09/76/532070976.db2.gz FDXJISAAFRHIER-UHFFFAOYSA-N 0 3 397.298 1.971 20 30 GDEDHN CN1CCN(CCNC(=O)CCn2cc(Br)ccc2=O)CC1(C)C ZINC000328705697 532091418 /nfs/dbraw/zinc/09/14/18/532091418.db2.gz LFGLKGMIWJJPHH-UHFFFAOYSA-N 0 3 399.333 1.983 20 30 GDEDHN CN(C)C[C@@](C)(O)CNC(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000330376347 532120739 /nfs/dbraw/zinc/12/07/39/532120739.db2.gz HOSPJOPKWHEOPT-INIZCTEOSA-N 0 3 389.543 1.540 20 30 GDEDHN C=CC[N@@H+](CCc1ccc(S(N)(=O)=O)cc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735419628 598490553 /nfs/dbraw/zinc/49/05/53/598490553.db2.gz YHJCXTXAMOJFCE-UHFFFAOYSA-N 0 3 398.492 1.745 20 30 GDEDHN C=CC[N@H+](CCc1ccc(S(N)(=O)=O)cc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735419628 598490554 /nfs/dbraw/zinc/49/05/54/598490554.db2.gz YHJCXTXAMOJFCE-UHFFFAOYSA-N 0 3 398.492 1.745 20 30 GDEDHN C=CC[N@@H+](CCc1ccc(S(N)(=O)=O)cc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735419628 598490556 /nfs/dbraw/zinc/49/05/56/598490556.db2.gz YHJCXTXAMOJFCE-UHFFFAOYSA-N 0 3 398.492 1.745 20 30 GDEDHN C=CC[N@H+](CCc1ccc(S(N)(=O)=O)cc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735419628 598490558 /nfs/dbraw/zinc/49/05/58/598490558.db2.gz YHJCXTXAMOJFCE-UHFFFAOYSA-N 0 3 398.492 1.745 20 30 GDEDHN Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000329891597 645335320 /nfs/dbraw/zinc/33/53/20/645335320.db2.gz ICMMMDBYDUJSRF-UMNHJUIQSA-N 0 3 390.531 1.653 20 30 GDEDHN Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000329891597 645335324 /nfs/dbraw/zinc/33/53/24/645335324.db2.gz ICMMMDBYDUJSRF-UMNHJUIQSA-N 0 3 390.531 1.653 20 30 GDEDHN N#CCCC[C@H](N)C(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000424178004 646161251 /nfs/dbraw/zinc/16/12/51/646161251.db2.gz VTHMOGAYXMEGKV-KBPBESRZSA-N 0 3 379.258 1.470 20 30 GDEDHN CN(C)[C@]1(CNC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CCSC1 ZINC000453683469 647327478 /nfs/dbraw/zinc/32/74/78/647327478.db2.gz AJRUSVGMKGHZOC-KRWDZBQOSA-N 0 3 380.901 1.898 20 30 GDEDHN CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@@H](N)CCCCC#N ZINC000594439519 652284767 /nfs/dbraw/zinc/28/47/67/652284767.db2.gz WRCUIJHHOMWVJK-LBPRGKRZSA-N 0 3 382.262 1.652 20 30 GDEDHN CCCN1CC[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000595194714 652396901 /nfs/dbraw/zinc/39/69/01/652396901.db2.gz UBWDTXJDCSBLKI-LBPRGKRZSA-N 0 3 379.258 1.860 20 30 GDEDHN C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C[C@@H](C)S1(=O)=O ZINC000810111995 655150922 /nfs/dbraw/zinc/15/09/22/655150922.db2.gz GQZSUSSZIPRPLW-JHJVBQTASA-N 0 3 377.491 1.980 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1nc(-c2sccc2C)ns1 ZINC000839563674 655253394 /nfs/dbraw/zinc/25/33/94/655253394.db2.gz IUPFPJRJIRNXCX-UHFFFAOYSA-N 0 3 377.495 1.585 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)N1CCc2cc(Br)cc(F)c21 ZINC000815860926 655306541 /nfs/dbraw/zinc/30/65/41/655306541.db2.gz IMTPTVJQIPUXMA-UHFFFAOYSA-N 0 3 396.260 1.549 20 30 GDEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCN(C)S2(=O)=O)cc1Cl ZINC000842689809 655371276 /nfs/dbraw/zinc/37/12/76/655371276.db2.gz GBKYYANLUYTPLO-MFKMUULPSA-N 0 3 385.829 1.030 20 30 GDEDHN C#CCN(C)CCCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000818606585 655377376 /nfs/dbraw/zinc/37/73/76/655377376.db2.gz YCAIKXLNXAUNNM-OAHLLOKOSA-N 0 3 383.539 1.363 20 30 GDEDHN COCCN1CCC[C@H]1CNC(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883086203 657268431 /nfs/dbraw/zinc/26/84/31/657268431.db2.gz OPOSIRMJYBLPMI-NSHDSACASA-N 0 3 382.262 1.948 20 30 GDEDHN C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571285437 945916198 /nfs/dbraw/zinc/91/61/98/945916198.db2.gz DOSQWGZFSHAKGY-PCBIJLKTSA-N 0 3 387.875 1.730 20 30 GDEDHN COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)cc1-c1nnn[n-]1 ZINC001571309603 946449363 /nfs/dbraw/zinc/44/93/63/946449363.db2.gz FNAKTUFASTWRFF-AWEZNQCLSA-N 0 3 392.423 1.079 20 30 GDEDHN COc1ccc(C[NH2+][C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)C2)cc1-c1nn[n-]n1 ZINC001571309603 946449370 /nfs/dbraw/zinc/44/93/70/946449370.db2.gz FNAKTUFASTWRFF-AWEZNQCLSA-N 0 3 392.423 1.079 20 30 GDEDHN COc1ccc(-c2nn[nH]n2)cc1CN[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001571309973 946459769 /nfs/dbraw/zinc/45/97/69/946459769.db2.gz QWDXTCYOBWKGEL-HNNXBMFYSA-N 0 3 392.423 1.079 20 30 GDEDHN C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CC1 ZINC001573283665 946722885 /nfs/dbraw/zinc/72/28/85/946722885.db2.gz WNDCXGJUUGLYIR-MRXNPFEDSA-N 0 3 381.484 1.782 20 30 GDEDHN C#CCC[NH+]1CCC([C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CC1 ZINC001573283665 946722896 /nfs/dbraw/zinc/72/28/96/946722896.db2.gz WNDCXGJUUGLYIR-MRXNPFEDSA-N 0 3 381.484 1.782 20 30 GDEDHN C#CCCCC(=O)NC[C@@H]1C[N@H+](Cc2ccc(OC)c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001573284113 946738882 /nfs/dbraw/zinc/73/88/82/946738882.db2.gz ROEQSWOHHXGQPD-NVXWUHKLSA-N 0 3 396.495 1.863 20 30 GDEDHN C#CCCCC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(OC)c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001573284113 946738893 /nfs/dbraw/zinc/73/88/93/946738893.db2.gz ROEQSWOHHXGQPD-NVXWUHKLSA-N 0 3 396.495 1.863 20 30 GDEDHN C#CCCCC(=O)NC[C@@H]1C[N@H+](Cc2ccc(OC)c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001573284113 946738898 /nfs/dbraw/zinc/73/88/98/946738898.db2.gz ROEQSWOHHXGQPD-NVXWUHKLSA-N 0 3 396.495 1.863 20 30 GDEDHN C#CCCCC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(OC)c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001573284113 946738906 /nfs/dbraw/zinc/73/89/06/946738906.db2.gz ROEQSWOHHXGQPD-NVXWUHKLSA-N 0 3 396.495 1.863 20 30 GDEDHN C#Cc1ccc(C(=O)N(C)[C@H](C)C[NH2+]Cc2ccccc2-c2nnn[n-]2)nc1 ZINC001573290010 946898364 /nfs/dbraw/zinc/89/83/64/946898364.db2.gz SRZWRABEBSWLON-CQSZACIVSA-N 0 3 375.436 1.493 20 30 GDEDHN C#Cc1ccc(C(=O)N(C)[C@H](C)C[NH2+]Cc2ccccc2-c2nn[n-]n2)nc1 ZINC001573290010 946898370 /nfs/dbraw/zinc/89/83/70/946898370.db2.gz SRZWRABEBSWLON-CQSZACIVSA-N 0 3 375.436 1.493 20 30 GDEDHN C=C(Br)C[NH2+]C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573292788 946940051 /nfs/dbraw/zinc/94/00/51/946940051.db2.gz BYLULIVWXYIXGS-UHFFFAOYSA-N 0 3 380.250 1.298 20 30 GDEDHN C=C(Br)C[NH2+]C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573292788 946940065 /nfs/dbraw/zinc/94/00/65/946940065.db2.gz BYLULIVWXYIXGS-UHFFFAOYSA-N 0 3 380.250 1.298 20 30 GDEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573295960 947035160 /nfs/dbraw/zinc/03/51/60/947035160.db2.gz WUFFWCARHGCCIF-WBAXXEDZSA-N 0 3 384.484 1.690 20 30 GDEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573295960 947035173 /nfs/dbraw/zinc/03/51/73/947035173.db2.gz WUFFWCARHGCCIF-WBAXXEDZSA-N 0 3 384.484 1.690 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3-c3nnn[n-]3)C2)CC1 ZINC001573567234 947041250 /nfs/dbraw/zinc/04/12/50/947041250.db2.gz KOZLXQHKECFKIO-HNNXBMFYSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3-c3nnn[n-]3)C2)CC1 ZINC001573567234 947041256 /nfs/dbraw/zinc/04/12/56/947041256.db2.gz KOZLXQHKECFKIO-HNNXBMFYSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3-c3nn[n-]n3)C2)CC1 ZINC001573567234 947041258 /nfs/dbraw/zinc/04/12/58/947041258.db2.gz KOZLXQHKECFKIO-HNNXBMFYSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3-c3nn[n-]n3)C2)CC1 ZINC001573567234 947041263 /nfs/dbraw/zinc/04/12/63/947041263.db2.gz KOZLXQHKECFKIO-HNNXBMFYSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573567943 947060505 /nfs/dbraw/zinc/06/05/05/947060505.db2.gz VDVZHIOJONVWEV-ZFWWWQNUSA-N 0 3 385.447 1.836 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573567943 947060512 /nfs/dbraw/zinc/06/05/12/947060512.db2.gz VDVZHIOJONVWEV-ZFWWWQNUSA-N 0 3 385.447 1.836 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573567943 947060521 /nfs/dbraw/zinc/06/05/21/947060521.db2.gz VDVZHIOJONVWEV-ZFWWWQNUSA-N 0 3 385.447 1.836 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573567943 947060528 /nfs/dbraw/zinc/06/05/28/947060528.db2.gz VDVZHIOJONVWEV-ZFWWWQNUSA-N 0 3 385.447 1.836 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC[C@@]2(CC[N@H+](Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001573568097 947065899 /nfs/dbraw/zinc/06/58/99/947065899.db2.gz XRTIIELDNHNGCD-YWZLYKJASA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001573568097 947065911 /nfs/dbraw/zinc/06/59/11/947065911.db2.gz XRTIIELDNHNGCD-YWZLYKJASA-N 0 3 379.468 1.841 20 30 GDEDHN C=CCCOCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573336703 947509334 /nfs/dbraw/zinc/50/93/34/947509334.db2.gz QJVUTVBPRVOKSI-GOSISDBHSA-N 0 3 384.484 1.930 20 30 GDEDHN C=CCCOCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573336703 947509339 /nfs/dbraw/zinc/50/93/39/947509339.db2.gz QJVUTVBPRVOKSI-GOSISDBHSA-N 0 3 384.484 1.930 20 30 GDEDHN C=CCCOCC(=O)N1CC[C@](C)(C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573337022 947514646 /nfs/dbraw/zinc/51/46/46/947514646.db2.gz SRTOPIVMDKURAM-HXUWFJFHSA-N 0 3 384.484 1.788 20 30 GDEDHN C=CCCOCC(=O)N1CC[C@](C)(C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573337022 947514650 /nfs/dbraw/zinc/51/46/50/947514650.db2.gz SRTOPIVMDKURAM-HXUWFJFHSA-N 0 3 384.484 1.788 20 30 GDEDHN C=CCOCC(=O)NC1CCC([NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC001573343256 947554678 /nfs/dbraw/zinc/55/46/78/947554678.db2.gz LQVPFSXCAZRESE-UHFFFAOYSA-N 0 3 388.447 1.725 20 30 GDEDHN C=CCOCC(=O)NC1CCC([NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001573343256 947554689 /nfs/dbraw/zinc/55/46/89/947554689.db2.gz LQVPFSXCAZRESE-UHFFFAOYSA-N 0 3 388.447 1.725 20 30 GDEDHN C=CCOCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573349153 947591789 /nfs/dbraw/zinc/59/17/89/947591789.db2.gz ZIXOFPGOMBYRGR-YOEHRIQHSA-N 0 3 385.472 1.324 20 30 GDEDHN C=CCOCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573349153 947591795 /nfs/dbraw/zinc/59/17/95/947591795.db2.gz ZIXOFPGOMBYRGR-YOEHRIQHSA-N 0 3 385.472 1.324 20 30 GDEDHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574528036 950923438 /nfs/dbraw/zinc/92/34/38/950923438.db2.gz KCGNSXYTHBEMHD-CHWSQXEVSA-N 0 3 378.440 1.753 20 30 GDEDHN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574528036 950923453 /nfs/dbraw/zinc/92/34/53/950923453.db2.gz KCGNSXYTHBEMHD-CHWSQXEVSA-N 0 3 378.440 1.753 20 30 GDEDHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)c1ccc(C#N)[nH]1 ZINC001575078921 951685943 /nfs/dbraw/zinc/68/59/43/951685943.db2.gz BCDQLRCXGBFBMP-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)c1ccc(C#N)[nH]1 ZINC001575078921 951685946 /nfs/dbraw/zinc/68/59/46/951685946.db2.gz BCDQLRCXGBFBMP-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@](C[NH2+]Cc1ccccc1-c1nnn[n-]1)(NC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC001575113976 951950704 /nfs/dbraw/zinc/95/07/04/951950704.db2.gz JPGWVSZLMPMEGS-HXUWFJFHSA-N 0 3 390.451 1.755 20 30 GDEDHN C[C@](C[NH2+]Cc1ccccc1-c1nn[n-]n1)(NC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC001575113976 951950710 /nfs/dbraw/zinc/95/07/10/951950710.db2.gz JPGWVSZLMPMEGS-HXUWFJFHSA-N 0 3 390.451 1.755 20 30 GDEDHN N#Cc1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)c[nH]1 ZINC001571119405 952490652 /nfs/dbraw/zinc/49/06/52/952490652.db2.gz BBMNGUUCMDQSPE-JNSHFYNHSA-N 0 3 376.424 1.365 20 30 GDEDHN N#Cc1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)c[nH]1 ZINC001571119405 952490658 /nfs/dbraw/zinc/49/06/58/952490658.db2.gz BBMNGUUCMDQSPE-JNSHFYNHSA-N 0 3 376.424 1.365 20 30 GDEDHN N#Cc1ccc(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)[nH]1 ZINC001571121316 952519747 /nfs/dbraw/zinc/51/97/47/952519747.db2.gz YGIQQSSQLOOSCH-MRXNPFEDSA-N 0 3 376.424 1.461 20 30 GDEDHN N#Cc1ccc(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)[nH]1 ZINC001571121316 952519752 /nfs/dbraw/zinc/51/97/52/952519752.db2.gz YGIQQSSQLOOSCH-MRXNPFEDSA-N 0 3 376.424 1.461 20 30 GDEDHN Cc1csc(C(C#N)C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)n1 ZINC000041518459 530622374 /nfs/dbraw/zinc/62/23/74/530622374.db2.gz KLUVZLUKBMVAAT-LBPRGKRZSA-N 0 3 380.451 1.291 20 30 GDEDHN C#CCN(C)CCCNc1cnn(-c2ccccn2)c(=O)c1Br ZINC000292807718 531380972 /nfs/dbraw/zinc/38/09/72/531380972.db2.gz NXIYOIBXUCFVIU-UHFFFAOYSA-N 0 3 376.258 1.757 20 30 GDEDHN C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@]2(N(C)C)CCSC2)cc1 ZINC000267092212 531395491 /nfs/dbraw/zinc/39/54/91/531395491.db2.gz IQMJFKNMAGZQFO-QGZVFWFLSA-N 0 3 383.539 1.318 20 30 GDEDHN COCCN1CCC[C@@H]1CNC(=O)COc1cccc(Br)c1C#N ZINC000449845005 531478217 /nfs/dbraw/zinc/47/82/17/531478217.db2.gz YFPFRQCXQFFVFL-CYBMUJFWSA-N 0 3 396.285 1.927 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC2CCS(=O)(=O)CC2)cc1 ZINC000588291170 531652086 /nfs/dbraw/zinc/65/20/86/531652086.db2.gz LUTNARBRNVKULK-LLVKDONJSA-N 0 3 385.467 1.071 20 30 GDEDHN CN(C)CCOCCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592788994 531799950 /nfs/dbraw/zinc/79/99/50/531799950.db2.gz TZHXFWMHJJKNHL-UHFFFAOYSA-N 0 3 395.301 1.451 20 30 GDEDHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000601492246 532066872 /nfs/dbraw/zinc/06/68/72/532066872.db2.gz MUDOZNOEGIEMKJ-TUAOUCFPSA-N 0 3 385.408 1.118 20 30 GDEDHN C[C@H]1C[C@H](NC(=O)N2CCO[C@H](CN(C)C)C2)c2ccsc2S1(=O)=O ZINC000329620101 532107892 /nfs/dbraw/zinc/10/78/92/532107892.db2.gz MOFORHBJGJDRLT-SCRDCRAPSA-N 0 3 387.527 1.532 20 30 GDEDHN N#Cc1ccc([C@@H](O)C[N@@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000822825381 606854487 /nfs/dbraw/zinc/85/44/87/606854487.db2.gz CTVFDVDGGRJSHC-FQEVSTJZSA-N 0 3 389.463 1.984 20 30 GDEDHN N#Cc1ccc([C@@H](O)C[N@H+]2CCCN(c3ccccc3-c3nnn[n-]3)CC2)cc1 ZINC000822825381 606854488 /nfs/dbraw/zinc/85/44/88/606854488.db2.gz CTVFDVDGGRJSHC-FQEVSTJZSA-N 0 3 389.463 1.984 20 30 GDEDHN N#Cc1ccc([C@@H](O)C[N@@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000822825381 606854489 /nfs/dbraw/zinc/85/44/89/606854489.db2.gz CTVFDVDGGRJSHC-FQEVSTJZSA-N 0 3 389.463 1.984 20 30 GDEDHN N#Cc1ccc([C@@H](O)C[N@H+]2CCCN(c3ccccc3-c3nn[n-]n3)CC2)cc1 ZINC000822825381 606854490 /nfs/dbraw/zinc/85/44/90/606854490.db2.gz CTVFDVDGGRJSHC-FQEVSTJZSA-N 0 3 389.463 1.984 20 30 GDEDHN CC(C)NC(=O)C(C#N)C(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000130967260 644742577 /nfs/dbraw/zinc/74/25/77/644742577.db2.gz OZUNGYXMSCWMDU-GFCCVEGCSA-N 0 3 398.232 1.942 20 30 GDEDHN CN(CC(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1)S(C)(=O)=O ZINC000916887215 660203005 /nfs/dbraw/zinc/20/30/05/660203005.db2.gz LYFWHCPCPUNHRG-LLVKDONJSA-N 0 3 391.421 1.540 20 30 GDEDHN CCN1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3ccc(C#N)s3)C2)[C@H]1C(C)C ZINC000920301862 660269257 /nfs/dbraw/zinc/26/92/57/660269257.db2.gz GTMCVCPLOYOEFG-MUIFIZLQSA-N 0 3 383.539 1.768 20 30 GDEDHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000571746293 651081669 /nfs/dbraw/zinc/08/16/69/651081669.db2.gz LXJHNWKMANYUJE-LLVKDONJSA-N 0 3 379.258 1.717 20 30 GDEDHN CN1CCN(CC2(C)CCN(S(=O)(=O)c3ccsc3C#N)CC2)CC1 ZINC000593576072 652218943 /nfs/dbraw/zinc/21/89/43/652218943.db2.gz MDKIMBOCYJNJNU-UHFFFAOYSA-N 0 3 382.555 1.658 20 30 GDEDHN N#Cc1cc(Br)ccc1CC(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000599939033 652519243 /nfs/dbraw/zinc/51/92/43/652519243.db2.gz FVAAJYIAQOHPBB-HOTGVXAUSA-N 0 3 378.270 1.531 20 30 GDEDHN CC(CS(C)(=O)=O)=NNC(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000732527732 654476220 /nfs/dbraw/zinc/47/62/20/654476220.db2.gz HWSYPSMRDWXULL-UHFFFAOYSA-N 0 3 382.555 1.536 20 30 GDEDHN C#CCN(C)CCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000818602717 655377171 /nfs/dbraw/zinc/37/71/71/655377171.db2.gz ADTFBVVUSUZQBN-CQSZACIVSA-N 0 3 392.297 1.873 20 30 GDEDHN C#CCOc1ccc(Br)cc1CNCCCS(=O)(=O)NC ZINC000865706787 655924667 /nfs/dbraw/zinc/92/46/67/655924667.db2.gz HJNVSQZMDMVNAT-UHFFFAOYSA-N 0 3 375.288 1.490 20 30 GDEDHN C#CCOc1ccc(Br)cc1CNCC(C)(C)CS(N)(=O)=O ZINC000865814150 655927493 /nfs/dbraw/zinc/92/74/93/655927493.db2.gz AUCKXDSCNXYZEA-UHFFFAOYSA-N 0 3 389.315 1.865 20 30 GDEDHN C#CCN(C(=O)NCCCn1cc(Br)cn1)C1CCN(C)CC1 ZINC000922495573 656484809 /nfs/dbraw/zinc/48/48/09/656484809.db2.gz JMNATKZJUVSFIF-UHFFFAOYSA-N 0 3 382.306 1.775 20 30 GDEDHN C#CCN(C(=O)NCCn1cc(Br)ccc1=O)C1CCN(C)CC1 ZINC000922659213 656500672 /nfs/dbraw/zinc/50/06/72/656500672.db2.gz UPLWSZWCPSZFRI-UHFFFAOYSA-N 0 3 395.301 1.350 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000876660812 656622221 /nfs/dbraw/zinc/62/22/21/656622221.db2.gz HUWDREVYHWGGNY-LLVKDONJSA-N 0 3 391.843 1.271 20 30 GDEDHN C=C(Br)CNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000934315220 657352721 /nfs/dbraw/zinc/35/27/21/657352721.db2.gz JRZLMNKEGDRYKB-OAHLLOKOSA-N 0 3 397.317 1.496 20 30 GDEDHN C#CCN(C(=O)CN1C(=S)N=NC1c1cccs1)C1CCN(C)CC1 ZINC000886585478 657676921 /nfs/dbraw/zinc/67/69/21/657676921.db2.gz XRSAPADMMZFRQM-UHFFFAOYSA-N 0 3 375.523 1.851 20 30 GDEDHN C#CCN(C(=O)CNC(=O)c1ccc(Br)o1)C1CCN(C)CC1 ZINC000886588971 657677040 /nfs/dbraw/zinc/67/70/40/657677040.db2.gz FIBQWXWSEWPRDT-UHFFFAOYSA-N 0 3 382.258 1.328 20 30 GDEDHN C#CCN1CCC(Nc2cnn(-c3ccccn3)c(=O)c2Br)CC1 ZINC000895811420 658731119 /nfs/dbraw/zinc/73/11/19/658731119.db2.gz HHSNEVOGIKCIER-UHFFFAOYSA-N 0 3 388.269 1.900 20 30 GDEDHN C=CCN1C(=S)N=NC1Cc1csc(NC(=O)C23CCN(CC2)C3)n1 ZINC000900515478 659117985 /nfs/dbraw/zinc/11/79/85/659117985.db2.gz OZCRWLFYUPJXRG-UHFFFAOYSA-N 0 3 376.511 1.834 20 30 GDEDHN C=CCNC(=O)c1cccnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164878404 721141893 /nfs/dbraw/zinc/14/18/93/721141893.db2.gz QAQHWLMXPNJETG-OALUTQOASA-N 0 3 393.491 1.872 20 30 GDEDHN N#CCOc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cc1 ZINC001571309834 946454983 /nfs/dbraw/zinc/45/49/83/946454983.db2.gz MGCSSDAFCDBALD-OKILXGFUSA-N 0 3 392.423 1.148 20 30 GDEDHN N#CCOc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cc1 ZINC001571309834 946454993 /nfs/dbraw/zinc/45/49/93/946454993.db2.gz MGCSSDAFCDBALD-OKILXGFUSA-N 0 3 392.423 1.148 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573286397 946806738 /nfs/dbraw/zinc/80/67/38/946806738.db2.gz ARZUQMJGGKKZTK-DOTOQJQBSA-N 0 3 382.468 1.376 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573286397 946806750 /nfs/dbraw/zinc/80/67/50/946806750.db2.gz ARZUQMJGGKKZTK-DOTOQJQBSA-N 0 3 382.468 1.376 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573286397 946806762 /nfs/dbraw/zinc/80/67/62/946806762.db2.gz ARZUQMJGGKKZTK-DOTOQJQBSA-N 0 3 382.468 1.376 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573286397 946806766 /nfs/dbraw/zinc/80/67/66/946806766.db2.gz ARZUQMJGGKKZTK-DOTOQJQBSA-N 0 3 382.468 1.376 20 30 GDEDHN C#Cc1ccccc1CC(=O)NC[C@H](C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573290352 946902664 /nfs/dbraw/zinc/90/26/64/946902664.db2.gz JDBNZSVXGNISLY-MRXNPFEDSA-N 0 3 388.475 1.933 20 30 GDEDHN C#Cc1ccccc1CC(=O)NC[C@H](C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573290352 946902672 /nfs/dbraw/zinc/90/26/72/946902672.db2.gz JDBNZSVXGNISLY-MRXNPFEDSA-N 0 3 388.475 1.933 20 30 GDEDHN C=C(Br)CNC1CC(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573291397 946919121 /nfs/dbraw/zinc/91/91/21/946919121.db2.gz BTNPILSKEVNNBQ-UHFFFAOYSA-N 0 3 380.250 1.201 20 30 GDEDHN C=C(Br)C[NH2+]C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573292799 946940422 /nfs/dbraw/zinc/94/04/22/946940422.db2.gz CKQFQUDAEOZEBE-SNVBAGLBSA-N 0 3 380.250 1.155 20 30 GDEDHN C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573293659 946964902 /nfs/dbraw/zinc/96/49/02/946964902.db2.gz FNUVFOFNKVTTML-ZDRJDWQYSA-N 0 3 381.484 1.943 20 30 GDEDHN C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573293659 946964908 /nfs/dbraw/zinc/96/49/08/946964908.db2.gz FNUVFOFNKVTTML-ZDRJDWQYSA-N 0 3 381.484 1.943 20 30 GDEDHN C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573293659 946964917 /nfs/dbraw/zinc/96/49/17/946964917.db2.gz FNUVFOFNKVTTML-ZDRJDWQYSA-N 0 3 381.484 1.943 20 30 GDEDHN C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573293659 946964920 /nfs/dbraw/zinc/96/49/20/946964920.db2.gz FNUVFOFNKVTTML-ZDRJDWQYSA-N 0 3 381.484 1.943 20 30 GDEDHN C[C@H](C#N)C(=O)N[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001573571766 947101517 /nfs/dbraw/zinc/10/15/17/947101517.db2.gz AQFFEPVVVDBNTJ-SJKOYZFVSA-N 0 3 385.447 1.930 20 30 GDEDHN C[C@H](C#N)C(=O)N[C@@H]1CC12CC[NH+](Cc1ccc(-c3nnn[n-]3)c(F)c1)CC2 ZINC001573572012 947106494 /nfs/dbraw/zinc/10/64/94/947106494.db2.gz CVFCMCLLZDSMFM-MLGOLLRUSA-N 0 3 383.431 1.636 20 30 GDEDHN C[C@@H](C#N)C(=O)NC1CC2(C1)CC([NH2+]Cc1ccc(F)c(-c3nnn[n-]3)c1)C2 ZINC001573575409 947138109 /nfs/dbraw/zinc/13/81/09/947138109.db2.gz YTIABKYNSIMYML-AIMVFPRCSA-N 0 3 383.431 1.682 20 30 GDEDHN C[C@@H](C#N)C(=O)NC1CC2(C1)CC([NH2+]Cc1ccc(F)c(-c3nn[n-]n3)c1)C2 ZINC001573575409 947138120 /nfs/dbraw/zinc/13/81/20/947138120.db2.gz YTIABKYNSIMYML-AIMVFPRCSA-N 0 3 383.431 1.682 20 30 GDEDHN C[C@H](C#N)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC001573585912 947273928 /nfs/dbraw/zinc/27/39/28/947273928.db2.gz JQILBXWWBCJMDS-XJKCOSOUSA-N 0 3 385.447 1.930 20 30 GDEDHN C[C@H](C#N)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC001573585912 947273938 /nfs/dbraw/zinc/27/39/38/947273938.db2.gz JQILBXWWBCJMDS-XJKCOSOUSA-N 0 3 385.447 1.930 20 30 GDEDHN C=CCCC(=O)N1CCO[C@H]([C@@H](C)[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573328708 947411866 /nfs/dbraw/zinc/41/18/66/947411866.db2.gz AFKNPDBHMAPJOP-DYVFJYSZSA-N 0 3 388.447 1.678 20 30 GDEDHN C=CCCC(=O)N1CCO[C@H]([C@@H](C)[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573328708 947411871 /nfs/dbraw/zinc/41/18/71/947411871.db2.gz AFKNPDBHMAPJOP-DYVFJYSZSA-N 0 3 388.447 1.678 20 30 GDEDHN C=CCOCC(=O)N1CCC(C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC001573342783 947546354 /nfs/dbraw/zinc/54/63/54/947546354.db2.gz DDOIOCAHFIJXMK-UHFFFAOYSA-N 0 3 388.447 1.537 20 30 GDEDHN C=CCOCC(=O)N1CCC(C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC001573342783 947546362 /nfs/dbraw/zinc/54/63/62/947546362.db2.gz DDOIOCAHFIJXMK-UHFFFAOYSA-N 0 3 388.447 1.537 20 30 GDEDHN C=CCOCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573343557 947560537 /nfs/dbraw/zinc/56/05/37/947560537.db2.gz QEWWLXUSBWGSSA-CJNGLKHVSA-N 0 3 388.447 1.583 20 30 GDEDHN C=CCOCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573343557 947560546 /nfs/dbraw/zinc/56/05/46/947560546.db2.gz QEWWLXUSBWGSSA-CJNGLKHVSA-N 0 3 388.447 1.583 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573350982 947606001 /nfs/dbraw/zinc/60/60/01/947606001.db2.gz MSQIHZUGKRATGI-VUCTXSBTSA-N 0 3 388.447 1.439 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573350982 947606007 /nfs/dbraw/zinc/60/60/07/947606007.db2.gz MSQIHZUGKRATGI-VUCTXSBTSA-N 0 3 388.447 1.439 20 30 GDEDHN C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574996038 950521317 /nfs/dbraw/zinc/52/13/17/950521317.db2.gz KBKPUVDAIXJYFL-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574996038 950521330 /nfs/dbraw/zinc/52/13/30/950521330.db2.gz KBKPUVDAIXJYFL-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001575101361 951857950 /nfs/dbraw/zinc/85/79/50/951857950.db2.gz CGITWWLCFFWCHM-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001575101361 951857955 /nfs/dbraw/zinc/85/79/55/951857955.db2.gz CGITWWLCFFWCHM-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN N#C[C@H]1CN(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)CCO1 ZINC000409588164 531258136 /nfs/dbraw/zinc/25/81/36/531258136.db2.gz SXUKKDPTJJMCDZ-HNNXBMFYSA-N 0 3 384.527 1.019 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(Br)cc1OCC ZINC000293512325 531426431 /nfs/dbraw/zinc/42/64/31/531426431.db2.gz YEAFDJIKAUYKHA-UHFFFAOYSA-N 0 3 396.285 1.858 20 30 GDEDHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC(F)(F)C(F)(F)C1 ZINC000416532172 531666203 /nfs/dbraw/zinc/66/62/03/531666203.db2.gz FTRPTMBNCJRUGM-LURJTMIESA-N 0 3 375.262 1.787 20 30 GDEDHN N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000591450652 531724211 /nfs/dbraw/zinc/72/42/11/531724211.db2.gz HSVMTWMHXHIAET-UHFFFAOYSA-N 0 3 382.917 1.706 20 30 GDEDHN N#Cc1cc(S(N)(=O)=O)ccc1NCC1(N2CCSCC2)CCCC1 ZINC000301341677 532033368 /nfs/dbraw/zinc/03/33/68/532033368.db2.gz FXKMSZIYZMUQJO-UHFFFAOYSA-N 0 3 380.539 1.979 20 30 GDEDHN N#Cc1ccccc1OC[C@H](O)CNCCn1cc(Br)ccc1=O ZINC000600740566 532053513 /nfs/dbraw/zinc/05/35/13/532053513.db2.gz WDTSZOVVPPLFHT-OAHLLOKOSA-N 0 3 392.253 1.512 20 30 GDEDHN C=CCN1CCC(NC(=O)C(=O)N2CCSC[C@@H]2c2nccs2)CC1 ZINC000580731409 532075855 /nfs/dbraw/zinc/07/58/55/532075855.db2.gz MCXMTHXRFATOGY-CQSZACIVSA-N 0 3 380.539 1.526 20 30 GDEDHN N#CCCC[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000424082218 532082608 /nfs/dbraw/zinc/08/26/08/532082608.db2.gz WHUBSAMCVZWKPB-HNNXBMFYSA-N 0 3 384.889 1.194 20 30 GDEDHN CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000736308454 598876871 /nfs/dbraw/zinc/87/68/71/598876871.db2.gz DMMLPTHXXYJNEC-HUUCEWRRSA-N 0 3 393.455 1.576 20 30 GDEDHN CC[C@H](C#N)Oc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000736308454 598876872 /nfs/dbraw/zinc/87/68/72/598876872.db2.gz DMMLPTHXXYJNEC-HUUCEWRRSA-N 0 3 393.455 1.576 20 30 GDEDHN N#CC(C(=O)CCCCOc1cccc(-c2nn[nH]n2)c1)C(=O)N1CCCC1 ZINC000737671994 598734868 /nfs/dbraw/zinc/73/48/68/598734868.db2.gz KKMAHMGDFAKKFK-MRXNPFEDSA-N 0 3 382.424 1.747 20 30 GDEDHN CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000821406526 606657236 /nfs/dbraw/zinc/65/72/36/606657236.db2.gz HIVOSKAWLZRKGM-UHFFFAOYSA-N 0 3 386.460 1.965 20 30 GDEDHN CCOC(=O)c1csc(C(C#N)C(=O)Nc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000825570395 608493735 /nfs/dbraw/zinc/49/37/35/608493735.db2.gz JPYCIBJZCFSHTG-NSHDSACASA-N 0 3 383.393 1.746 20 30 GDEDHN C[C@H]1CN(C(=[NH2+])NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCO1 ZINC000262646594 645135561 /nfs/dbraw/zinc/13/55/61/645135561.db2.gz JFYWXKWZEGNROS-JTQLQIEISA-N 0 3 395.312 1.307 20 30 GDEDHN N#CC(C(=O)CN1C(=O)COc2cc(Br)ccc21)C(=O)NC1CC1 ZINC000916927378 660203575 /nfs/dbraw/zinc/20/35/75/660203575.db2.gz INVGRBAADBWWMX-LLVKDONJSA-N 0 3 392.209 1.162 20 30 GDEDHN CC(C)[C@@H]1N(C)C[C@]12C[C@@H](O)[C@H](NS(=O)(=O)Cc1csc(C#N)c1)C2 ZINC000920274340 660268433 /nfs/dbraw/zinc/26/84/33/660268433.db2.gz NECNIWXMCGWWLI-NCOADZHNSA-N 0 3 383.539 1.519 20 30 GDEDHN CC(C(=O)NC(=O)NCC(F)(F)F)S(=O)(=O)c1cccc(F)c1C#N ZINC000576003434 651617029 /nfs/dbraw/zinc/61/70/29/651617029.db2.gz XOSSFPNCFQUXDG-ZETCQYMHSA-N 0 3 381.307 1.248 20 30 GDEDHN C=C[C@H](O)C(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000668911718 654494608 /nfs/dbraw/zinc/49/46/08/654494608.db2.gz XCSDIGPQVTWUJB-INIZCTEOSA-N 0 3 383.286 1.955 20 30 GDEDHN CCS(=O)(=O)C=C(C)NN=c1ccc(S(=O)(=O)NC2CCCC2)c[nH]1 ZINC000733745098 654521490 /nfs/dbraw/zinc/52/14/90/654521490.db2.gz ZHUZJJOJKSINLX-UHFFFAOYSA-N 0 3 388.515 1.525 20 30 GDEDHN C#CCN(C)CCCNC(=O)N[C@H](CO)c1ccc(Br)c(F)c1 ZINC000836491425 655145627 /nfs/dbraw/zinc/14/56/27/655145627.db2.gz RNIDHJXLTIHVSG-OAHLLOKOSA-N 0 3 386.265 1.876 20 30 GDEDHN C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C[C@@H](C)S1(=O)=O ZINC000810111997 655151033 /nfs/dbraw/zinc/15/10/33/655151033.db2.gz GQZSUSSZIPRPLW-UPJWGTAASA-N 0 3 377.491 1.980 20 30 GDEDHN N#CC(C(=O)CCSCc1ccccc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000796716339 655218545 /nfs/dbraw/zinc/21/85/45/655218545.db2.gz ZGSBOALLWRSKKX-HNNXBMFYSA-N 0 3 380.491 1.276 20 30 GDEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000815082318 655285954 /nfs/dbraw/zinc/28/59/54/655285954.db2.gz KPWNRCNYKNNEQB-UHFFFAOYSA-N 0 3 398.428 1.214 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000876554610 656613399 /nfs/dbraw/zinc/61/33/99/656613399.db2.gz PQMSCCIOKQOIKD-CYBMUJFWSA-N 0 3 393.843 1.268 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](O)COc1ccccc1Br ZINC000876689817 656624230 /nfs/dbraw/zinc/62/42/30/656624230.db2.gz BVRNMAHNRKXWNC-ZYHUDNBSSA-N 0 3 377.666 1.775 20 30 GDEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)Cc1c(Br)cnn1C ZINC000892463561 658328452 /nfs/dbraw/zinc/32/84/52/658328452.db2.gz JUBCJJVNEVBEMZ-LLVKDONJSA-N 0 3 385.262 1.365 20 30 GDEDHN N#Cc1ccc(S(=O)(=O)CCNCC[C@H]2CC[C@H](C(F)(F)F)O2)nc1 ZINC000905556193 659464327 /nfs/dbraw/zinc/46/43/27/659464327.db2.gz LMAIEBRBEZMJIO-CHWSQXEVSA-N 0 3 377.388 1.817 20 30 GDEDHN N#Cc1ncc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1C#N ZINC001164972657 722146030 /nfs/dbraw/zinc/14/60/30/722146030.db2.gz AGFBUOLRHPAWHV-LPHOPBHVSA-N 0 3 375.436 1.342 20 30 GDEDHN C#CCOCCC(=O)NC1(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001573286586 946810988 /nfs/dbraw/zinc/81/09/88/946810988.db2.gz FNKDKTZHYDNOEE-UHFFFAOYSA-N 0 3 382.468 1.425 20 30 GDEDHN C#CCOCCC(=O)NC1(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001573286586 946810995 /nfs/dbraw/zinc/81/09/95/946810995.db2.gz FNKDKTZHYDNOEE-UHFFFAOYSA-N 0 3 382.468 1.425 20 30 GDEDHN C#Cc1ccc(C(=O)N[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)nc1 ZINC001573287698 946845635 /nfs/dbraw/zinc/84/56/35/946845635.db2.gz KHSPQNBSNNHMGL-LJQANCHMSA-N 0 3 387.447 1.541 20 30 GDEDHN C#Cc1ccc(C(=O)N[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)nc1 ZINC001573287698 946845650 /nfs/dbraw/zinc/84/56/50/946845650.db2.gz KHSPQNBSNNHMGL-LJQANCHMSA-N 0 3 387.447 1.541 20 30 GDEDHN C#CCOCCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC001573288773 946876316 /nfs/dbraw/zinc/87/63/16/946876316.db2.gz YKBSTVHKRUPBOV-MAUKXSAKSA-N 0 3 382.468 1.233 20 30 GDEDHN C#CCOCCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC001573288773 946876323 /nfs/dbraw/zinc/87/63/23/946876323.db2.gz YKBSTVHKRUPBOV-MAUKXSAKSA-N 0 3 382.468 1.233 20 30 GDEDHN C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1C(F)(F)F ZINC001573294256 946983513 /nfs/dbraw/zinc/98/35/13/946983513.db2.gz ZXRPSUJOIWXISO-NEPJUHHUSA-N 0 3 383.378 1.611 20 30 GDEDHN C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1C(F)(F)F ZINC001573294256 946983523 /nfs/dbraw/zinc/98/35/23/946983523.db2.gz ZXRPSUJOIWXISO-NEPJUHHUSA-N 0 3 383.378 1.611 20 30 GDEDHN C[C@H](C#N)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001573565996 947018552 /nfs/dbraw/zinc/01/85/52/947018552.db2.gz YTRWOGAACSXMHY-FOIQADDNSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@H](C#N)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001573565996 947018564 /nfs/dbraw/zinc/01/85/64/947018564.db2.gz YTRWOGAACSXMHY-FOIQADDNSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC2(C1)CC[NH+](Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC001573568138 947069066 /nfs/dbraw/zinc/06/90/66/947069066.db2.gz YESWJVSRASVSFW-HNNXBMFYSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@H](C#N)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001573568204 947069754 /nfs/dbraw/zinc/06/97/54/947069754.db2.gz ZFSKZPBCBVWAII-BFUOFWGJSA-N 0 3 383.431 1.590 20 30 GDEDHN C[C@H](C#N)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001573568204 947069763 /nfs/dbraw/zinc/06/97/63/947069763.db2.gz ZFSKZPBCBVWAII-BFUOFWGJSA-N 0 3 383.431 1.590 20 30 GDEDHN C=C(C)CCC(=O)NC1(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC001573299607 947096610 /nfs/dbraw/zinc/09/66/10/947096610.db2.gz KKRLBULDKQSOPV-UHFFFAOYSA-N 0 3 384.484 1.978 20 30 GDEDHN C=C(C)CCC(=O)NC1(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC001573299607 947096619 /nfs/dbraw/zinc/09/66/19/947096619.db2.gz KKRLBULDKQSOPV-UHFFFAOYSA-N 0 3 384.484 1.978 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)NC1(C[NH2+]Cc2ccccc2-c2nnn[n-]2)CCCC1 ZINC001573309979 947213880 /nfs/dbraw/zinc/21/38/80/947213880.db2.gz QPDHROPYQQOYQP-LJQANCHMSA-N 0 3 384.484 1.712 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)NC1(C[NH2+]Cc2ccccc2-c2nn[n-]n2)CCCC1 ZINC001573309979 947213890 /nfs/dbraw/zinc/21/38/90/947213890.db2.gz QPDHROPYQQOYQP-LJQANCHMSA-N 0 3 384.484 1.712 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573351560 947617010 /nfs/dbraw/zinc/61/70/10/947617010.db2.gz RZJJZPBDUCSZEU-QEORTHHSSA-N 0 3 388.447 1.533 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573351560 947617020 /nfs/dbraw/zinc/61/70/20/947617020.db2.gz RZJJZPBDUCSZEU-QEORTHHSSA-N 0 3 388.447 1.533 20 30 GDEDHN CC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C(F)(F)F ZINC001573359256 947682933 /nfs/dbraw/zinc/68/29/33/947682933.db2.gz XOMLYDMCYDYJMM-MNOVXSKESA-N 0 3 381.362 1.058 20 30 GDEDHN C[C@@H](CN(C)C(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574739523 950195029 /nfs/dbraw/zinc/19/50/29/950195029.db2.gz QVYICBJVDPIXEW-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001576220333 950832496 /nfs/dbraw/zinc/83/24/96/950832496.db2.gz XETPHUADJSUUJK-GUYCJALGSA-N 0 3 382.443 1.603 20 30 GDEDHN C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001576220333 950832524 /nfs/dbraw/zinc/83/25/24/950832524.db2.gz XETPHUADJSUUJK-GUYCJALGSA-N 0 3 382.443 1.603 20 30 GDEDHN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)c1c[nH]c(C#N)c1 ZINC001575091398 951775952 /nfs/dbraw/zinc/77/59/52/951775952.db2.gz QNZDMFNRTLMUHX-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN N#Cc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cc1 ZINC001571119363 952490469 /nfs/dbraw/zinc/49/04/69/952490469.db2.gz AEGWGRIIBFYPNV-KOMQPUFPSA-N 0 3 376.424 1.365 20 30 GDEDHN C=CCN1CCC(NC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC1 ZINC000179229077 530737146 /nfs/dbraw/zinc/73/71/46/530737146.db2.gz HETYKDVZQQWEAG-UHFFFAOYSA-N 0 3 375.853 1.507 20 30 GDEDHN CN(CCC#N)C[C@@H](O)CNCc1cnn(-c2ccc(Br)cc2)c1 ZINC000519596698 531215689 /nfs/dbraw/zinc/21/56/89/531215689.db2.gz UWQBASRCOCILGD-KRWDZBQOSA-N 0 3 392.301 1.931 20 30 GDEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000267079022 531394991 /nfs/dbraw/zinc/39/49/91/531394991.db2.gz PLNYHTPYMLASAU-SNVBAGLBSA-N 0 3 381.422 1.288 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(F)c(Br)cc1F ZINC000293455522 531422379 /nfs/dbraw/zinc/42/23/79/531422379.db2.gz SXABDVHFDBTUNN-UHFFFAOYSA-N 0 3 388.212 1.737 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(OCC)c(Br)c1 ZINC000293465474 531423514 /nfs/dbraw/zinc/42/35/14/531423514.db2.gz UKNDIUBAJSJXDJ-UHFFFAOYSA-N 0 3 396.285 1.858 20 30 GDEDHN C#CCN(C)CCCNC(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000294103037 531462429 /nfs/dbraw/zinc/46/24/29/531462429.db2.gz YJNXXUUUYZPIIF-UHFFFAOYSA-N 0 3 386.315 1.654 20 30 GDEDHN COCCCN(C)CCNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449946419 531482309 /nfs/dbraw/zinc/48/23/09/531482309.db2.gz XBLXRJAVYFCQOK-UHFFFAOYSA-N 0 3 384.274 1.784 20 30 GDEDHN C=CCOc1ccc(Br)cc1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000415869509 531546810 /nfs/dbraw/zinc/54/68/10/531546810.db2.gz RMGUHJLRVIOUAI-LBPRGKRZSA-N 0 3 398.257 1.057 20 30 GDEDHN COC(=O)CN(Cc1cccc(Br)c1)S(=O)(=O)C(C)C#N ZINC000416469158 531631742 /nfs/dbraw/zinc/63/17/42/531631742.db2.gz IRUUNSBONBGJCL-JTQLQIEISA-N 0 3 375.244 1.666 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000588291112 531651483 /nfs/dbraw/zinc/65/14/83/531651483.db2.gz YMLYULWCRIKZCG-BXUZGUMPSA-N 0 3 385.467 1.023 20 30 GDEDHN CN1C[C@@H]2CCN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)[C@@H]2C1 ZINC000592802356 531801241 /nfs/dbraw/zinc/80/12/41/531801241.db2.gz XNKWTIFKNROWIS-YVEFUNNKSA-N 0 3 389.297 1.919 20 30 GDEDHN CN(C)C[C@@]1(O)CCCN(C(=O)Cc2ccc(Br)cc2C#N)C1 ZINC000597582397 531948400 /nfs/dbraw/zinc/94/84/00/531948400.db2.gz BTHPETNVQKLSSG-KRWDZBQOSA-N 0 3 380.286 1.778 20 30 GDEDHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419694197 531957824 /nfs/dbraw/zinc/95/78/24/531957824.db2.gz JCILLXMFFIEUMA-LBPRGKRZSA-N 0 3 379.258 1.860 20 30 GDEDHN CCN(CCNC(=O)C(=O)Nc1cccc(C#N)c1Br)C1CC1 ZINC000419691359 531956029 /nfs/dbraw/zinc/95/60/29/531956029.db2.gz FRKAZQUVUKVQSK-UHFFFAOYSA-N 0 3 379.258 1.860 20 30 GDEDHN CN(C)C1(CNC(=O)C(=O)Nc2cccc(C#N)c2Br)CCC1 ZINC000419687464 531956203 /nfs/dbraw/zinc/95/62/03/531956203.db2.gz PTDGPMHZMZBMDH-UHFFFAOYSA-N 0 3 379.258 1.860 20 30 GDEDHN CN(C)CC[C@](C)(O)CNC(=O)COc1cccc(Br)c1C#N ZINC000419994862 531994515 /nfs/dbraw/zinc/99/45/15/531994515.db2.gz JQUWEFQLVVSMED-INIZCTEOSA-N 0 3 384.274 1.518 20 30 GDEDHN CN1CCN(CCNC(=O)Nc2nnc(CC(F)(F)F)s2)CC1(C)C ZINC000331263060 532141646 /nfs/dbraw/zinc/14/16/46/532141646.db2.gz FGROONRMCYSDFF-UHFFFAOYSA-N 0 3 380.440 1.995 20 30 GDEDHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000332550911 532194208 /nfs/dbraw/zinc/19/42/08/532194208.db2.gz JQSWBDVFXNBJDJ-DGCLKSJQSA-N 0 3 391.269 1.954 20 30 GDEDHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287602262 532226671 /nfs/dbraw/zinc/22/66/71/532226671.db2.gz DGUXXERDAWJJIZ-UHFFFAOYSA-N 0 3 379.258 1.812 20 30 GDEDHN C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000735399778 598373778 /nfs/dbraw/zinc/37/37/78/598373778.db2.gz VQKBNCRTFNWWRR-UHFFFAOYSA-N 0 3 387.419 1.101 20 30 GDEDHN C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000735399778 598373780 /nfs/dbraw/zinc/37/37/80/598373780.db2.gz VQKBNCRTFNWWRR-UHFFFAOYSA-N 0 3 387.419 1.101 20 30 GDEDHN CC(C)CN1CCO[C@H](CNC(=O)c2cc(Cl)sc2S(N)(=O)=O)C1 ZINC000330454694 645359902 /nfs/dbraw/zinc/35/99/02/645359902.db2.gz MLHHZKHRJVRCEY-SNVBAGLBSA-N 0 3 395.934 1.710 20 30 GDEDHN N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000452388018 647322003 /nfs/dbraw/zinc/32/20/03/647322003.db2.gz VTGVFDCPUCWTFM-CYBMUJFWSA-N 0 3 396.285 1.663 20 30 GDEDHN N#Cc1ccc(OCC(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc1Br ZINC000599938455 652519214 /nfs/dbraw/zinc/51/92/14/652519214.db2.gz AVRAFNIWSCFQLH-ZIAGYGMSSA-N 0 3 394.269 1.367 20 30 GDEDHN COCCN(C)CCN1C[C@H](Nc2cc(C#N)c(Br)cn2)CC1=O ZINC000603396993 652710360 /nfs/dbraw/zinc/71/03/60/652710360.db2.gz MXOBMMVFFVDXFS-CYBMUJFWSA-N 0 3 396.289 1.307 20 30 GDEDHN C[C@@H](CSc1ccccc1)C(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000732909641 654493069 /nfs/dbraw/zinc/49/30/69/654493069.db2.gz FEGJRTJMYLPCNS-DZGCQCFKSA-N 0 3 380.491 1.381 20 30 GDEDHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)C(C#N)c2ccncn2)s1 ZINC000760336216 655109221 /nfs/dbraw/zinc/10/92/21/655109221.db2.gz XJFXUHUEZZTPHS-GXTWGEPZSA-N 0 3 376.463 1.876 20 30 GDEDHN C#CCN(C)CCCNC(=O)NCC(=O)Nc1cc(Br)ccc1C ZINC000836487708 655145606 /nfs/dbraw/zinc/14/56/06/655145606.db2.gz JFFYKABFYHGZQN-UHFFFAOYSA-N 0 3 395.301 1.950 20 30 GDEDHN C#CCN(C)CCCNS(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000815082187 655285811 /nfs/dbraw/zinc/28/58/11/655285811.db2.gz DDETXLOHAKUQTR-AWEZNQCLSA-N 0 3 388.917 1.987 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000815861627 655306875 /nfs/dbraw/zinc/30/68/75/655306875.db2.gz QXPIHROPMLIEGA-UHFFFAOYSA-N 0 3 387.665 1.507 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000842213167 655359047 /nfs/dbraw/zinc/35/90/47/655359047.db2.gz WMQQTNDXNCQJEY-UHFFFAOYSA-N 0 3 377.242 1.331 20 30 GDEDHN CN1CCC[C@H]1C(=O)N1CCN(c2cc(Br)cnc2C#N)CC1 ZINC000853448470 655639676 /nfs/dbraw/zinc/63/96/76/655639676.db2.gz IYDXIYHHEADHGU-AWEZNQCLSA-N 0 3 378.274 1.459 20 30 GDEDHN O=S(=O)(C1CNC1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000923731321 656595962 /nfs/dbraw/zinc/59/59/62/656595962.db2.gz KTJIOKARGFRJLH-BQBZGAKWSA-N 0 3 388.280 1.391 20 30 GDEDHN COCCN1CCC(NC(=O)Nc2ccc(Br)c(C#N)n2)CC1 ZINC000883082099 657267940 /nfs/dbraw/zinc/26/79/40/657267940.db2.gz WVBKHEVCZAASII-UHFFFAOYSA-N 0 3 382.262 1.948 20 30 GDEDHN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2C[C@@H]3CSC[C@@H]3C2)CC1 ZINC000886568133 657675686 /nfs/dbraw/zinc/67/56/86/657675686.db2.gz BJCBNRJXGQOTLT-XHSDSOJGSA-N 0 3 376.551 1.752 20 30 GDEDHN CN1CCC(N(CCO)C(=O)COc2cccc(Br)c2C#N)CC1 ZINC000911942164 660022097 /nfs/dbraw/zinc/02/20/97/660022097.db2.gz LVMSZWMRQNJGBT-UHFFFAOYSA-N 0 3 396.285 1.615 20 30 GDEDHN N#Cc1cccc(C[NH2+]C[C@H]2CCCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC001571299001 946234698 /nfs/dbraw/zinc/23/46/98/946234698.db2.gz NCORGAWDNWXYGL-QGZVFWFLSA-N 0 3 390.451 1.851 20 30 GDEDHN N#Cc1cccc(C[NH2+]C[C@H]2CCCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC001571299001 946234706 /nfs/dbraw/zinc/23/47/06/946234706.db2.gz NCORGAWDNWXYGL-QGZVFWFLSA-N 0 3 390.451 1.851 20 30 GDEDHN C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1c1ccccc1F ZINC001573282668 946695508 /nfs/dbraw/zinc/69/55/08/946695508.db2.gz MMFAPFQMUKTUGL-MAUKXSAKSA-N 0 3 393.426 1.555 20 30 GDEDHN C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1c1ccccc1F ZINC001573282668 946695512 /nfs/dbraw/zinc/69/55/12/946695512.db2.gz MMFAPFQMUKTUGL-MAUKXSAKSA-N 0 3 393.426 1.555 20 30 GDEDHN C#CCOCCC(=O)N1CCC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573286539 946812212 /nfs/dbraw/zinc/81/22/12/946812212.db2.gz DQSJZCJBKMOCGN-MRXNPFEDSA-N 0 3 386.431 1.126 20 30 GDEDHN C#Cc1cncc(C(=O)N2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C[C@@H]2C)c1 ZINC001573290991 946913442 /nfs/dbraw/zinc/91/34/42/946913442.db2.gz UMFZZSHRQZPCSB-LIRRHRJNSA-N 0 3 387.447 1.636 20 30 GDEDHN C#Cc1cncc(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001573292080 946929399 /nfs/dbraw/zinc/92/93/99/946929399.db2.gz OIXQHXXEFWCGKX-KGLIPLIRSA-N 0 3 375.436 1.540 20 30 GDEDHN C#Cc1cncc(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573292080 946929408 /nfs/dbraw/zinc/92/94/08/946929408.db2.gz OIXQHXXEFWCGKX-KGLIPLIRSA-N 0 3 375.436 1.540 20 30 GDEDHN C#Cc1cncc(C(=O)NC/C=C\C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001573292659 946937273 /nfs/dbraw/zinc/93/72/73/946937273.db2.gz ZHLBHDDKDAODGS-ARJAWSKDSA-N 0 3 391.410 1.458 20 30 GDEDHN C=C(C)CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573293656 946963032 /nfs/dbraw/zinc/96/30/32/946963032.db2.gz FNUVFOFNKVTTML-DNMXQMFDSA-N 0 3 381.484 1.943 20 30 GDEDHN C=C(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573293656 946963039 /nfs/dbraw/zinc/96/30/39/946963039.db2.gz FNUVFOFNKVTTML-DNMXQMFDSA-N 0 3 381.484 1.943 20 30 GDEDHN C=C(C)CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573293656 946963042 /nfs/dbraw/zinc/96/30/42/946963042.db2.gz FNUVFOFNKVTTML-DNMXQMFDSA-N 0 3 381.484 1.943 20 30 GDEDHN C=C(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573293656 946963047 /nfs/dbraw/zinc/96/30/47/946963047.db2.gz FNUVFOFNKVTTML-DNMXQMFDSA-N 0 3 381.484 1.943 20 30 GDEDHN C[C@@H](C#N)C(=O)NCC[C@@H]1C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2F)C[C@H]1C ZINC001573583471 947204642 /nfs/dbraw/zinc/20/46/42/947204642.db2.gz MMCDHUJVTPJDJC-GZBFAFLISA-N 0 3 385.447 1.740 20 30 GDEDHN C[C@@H](C#N)C(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2F)C[C@H]1C ZINC001573583471 947204650 /nfs/dbraw/zinc/20/46/50/947204650.db2.gz MMCDHUJVTPJDJC-GZBFAFLISA-N 0 3 385.447 1.740 20 30 GDEDHN C[C@@H](C#N)C(=O)NCC[C@@H]1C[N@H+](Cc2ccc(-c3nn[n-]n3)cc2F)C[C@H]1C ZINC001573583471 947204659 /nfs/dbraw/zinc/20/46/59/947204659.db2.gz MMCDHUJVTPJDJC-GZBFAFLISA-N 0 3 385.447 1.740 20 30 GDEDHN C[C@@H](C#N)C(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2F)C[C@H]1C ZINC001573583471 947204664 /nfs/dbraw/zinc/20/46/64/947204664.db2.gz MMCDHUJVTPJDJC-GZBFAFLISA-N 0 3 385.447 1.740 20 30 GDEDHN C=C[C@](C)(O)CC(=O)NCC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573310853 947229043 /nfs/dbraw/zinc/22/90/43/947229043.db2.gz ZYSDIPSHKUZJDJ-XIKOKIGWSA-N 0 3 376.436 1.317 20 30 GDEDHN C=C[C@](C)(O)CC(=O)NCC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573310853 947229055 /nfs/dbraw/zinc/22/90/55/947229055.db2.gz ZYSDIPSHKUZJDJ-XIKOKIGWSA-N 0 3 376.436 1.317 20 30 GDEDHN C[C@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1-c1nnn[n-]1 ZINC001573584626 947230108 /nfs/dbraw/zinc/23/01/08/947230108.db2.gz ZOSJNDDNIFIABN-TXCZRRACSA-N 0 3 379.468 1.886 20 30 GDEDHN C[C@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1-c1nnn[n-]1 ZINC001573584626 947230116 /nfs/dbraw/zinc/23/01/16/947230116.db2.gz ZOSJNDDNIFIABN-TXCZRRACSA-N 0 3 379.468 1.886 20 30 GDEDHN C[C@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1-c1nn[n-]n1 ZINC001573584626 947230126 /nfs/dbraw/zinc/23/01/26/947230126.db2.gz ZOSJNDDNIFIABN-TXCZRRACSA-N 0 3 379.468 1.886 20 30 GDEDHN C[C@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1-c1nn[n-]n1 ZINC001573584626 947230136 /nfs/dbraw/zinc/23/01/36/947230136.db2.gz ZOSJNDDNIFIABN-TXCZRRACSA-N 0 3 379.468 1.886 20 30 GDEDHN C=CCCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573335559 947483428 /nfs/dbraw/zinc/48/34/28/947483428.db2.gz AKXADNYMVHFIIN-RVKKMQEKSA-N 0 3 384.484 1.784 20 30 GDEDHN C=CCCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573335559 947483435 /nfs/dbraw/zinc/48/34/35/947483435.db2.gz AKXADNYMVHFIIN-RVKKMQEKSA-N 0 3 384.484 1.784 20 30 GDEDHN C=CCCOCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573335633 947484993 /nfs/dbraw/zinc/48/49/93/947484993.db2.gz BZQGEAVYILTIHC-CXAGYDPISA-N 0 3 388.447 1.535 20 30 GDEDHN C=CCOCC(=O)N1CCC(C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573343575 947560313 /nfs/dbraw/zinc/56/03/13/947560313.db2.gz QMUKZBJKNAAMDJ-UHFFFAOYSA-N 0 3 384.484 1.740 20 30 GDEDHN C=CCOCC(=O)N1CCC(C[N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573343575 947560319 /nfs/dbraw/zinc/56/03/19/947560319.db2.gz QMUKZBJKNAAMDJ-UHFFFAOYSA-N 0 3 384.484 1.740 20 30 GDEDHN C=CCOCC(=O)N1CCC(C[N@@H+](C)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573343575 947560325 /nfs/dbraw/zinc/56/03/25/947560325.db2.gz QMUKZBJKNAAMDJ-UHFFFAOYSA-N 0 3 384.484 1.740 20 30 GDEDHN C=CCOCC(=O)N1CCC(C[N@H+](C)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573343575 947560335 /nfs/dbraw/zinc/56/03/35/947560335.db2.gz QMUKZBJKNAAMDJ-UHFFFAOYSA-N 0 3 384.484 1.740 20 30 GDEDHN C=CCOCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573344033 947566778 /nfs/dbraw/zinc/56/67/78/947566778.db2.gz WXFOUYJMCVSVKC-ZWKOTPCHSA-N 0 3 382.468 1.635 20 30 GDEDHN C=CCOCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573344033 947566781 /nfs/dbraw/zinc/56/67/81/947566781.db2.gz WXFOUYJMCVSVKC-ZWKOTPCHSA-N 0 3 382.468 1.635 20 30 GDEDHN C=CCOCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573344033 947566785 /nfs/dbraw/zinc/56/67/85/947566785.db2.gz WXFOUYJMCVSVKC-ZWKOTPCHSA-N 0 3 382.468 1.635 20 30 GDEDHN C=CCOCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573344033 947566791 /nfs/dbraw/zinc/56/67/91/947566791.db2.gz WXFOUYJMCVSVKC-ZWKOTPCHSA-N 0 3 382.468 1.635 20 30 GDEDHN C=CCOCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573349147 947590697 /nfs/dbraw/zinc/59/06/97/947590697.db2.gz ZIXOFPGOMBYRGR-PBHICJAKSA-N 0 3 385.472 1.324 20 30 GDEDHN C=CCOCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573349147 947590712 /nfs/dbraw/zinc/59/07/12/947590712.db2.gz ZIXOFPGOMBYRGR-PBHICJAKSA-N 0 3 385.472 1.324 20 30 GDEDHN CC(C)(C)C#CC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001573793768 949305019 /nfs/dbraw/zinc/30/50/19/949305019.db2.gz YTMKJULKBUGXNK-HDICACEKSA-N 0 3 378.480 1.806 20 30 GDEDHN CC(C)(C)C#CC(=O)N1C[C@@H]2C[N@H+](Cc3cccc(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001573793768 949305039 /nfs/dbraw/zinc/30/50/39/949305039.db2.gz YTMKJULKBUGXNK-HDICACEKSA-N 0 3 378.480 1.806 20 30 GDEDHN CC(C)(C)C#CC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001573793768 949305053 /nfs/dbraw/zinc/30/50/53/949305053.db2.gz YTMKJULKBUGXNK-HDICACEKSA-N 0 3 378.480 1.806 20 30 GDEDHN CC(C)(C)C#CC(=O)N1C[C@@H]2C[N@H+](Cc3cccc(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001573793768 949305072 /nfs/dbraw/zinc/30/50/72/949305072.db2.gz YTMKJULKBUGXNK-HDICACEKSA-N 0 3 378.480 1.806 20 30 GDEDHN C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574745163 950372213 /nfs/dbraw/zinc/37/22/13/950372213.db2.gz GCZVBMLLJOMUNR-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574745163 950372236 /nfs/dbraw/zinc/37/22/36/950372236.db2.gz GCZVBMLLJOMUNR-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@H](C[C@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574530724 950996317 /nfs/dbraw/zinc/99/63/17/950996317.db2.gz WHNRHHRKNDGTSC-QWHCGFSZSA-N 0 3 378.440 1.753 20 30 GDEDHN C[C@H](C[C@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574530724 950996334 /nfs/dbraw/zinc/99/63/34/950996334.db2.gz WHNRHHRKNDGTSC-QWHCGFSZSA-N 0 3 378.440 1.753 20 30 GDEDHN CCN1CCN(C[C@H](C)CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000096999470 530819212 /nfs/dbraw/zinc/81/92/12/530819212.db2.gz RBEIIGIZLURAFE-CQSZACIVSA-N 0 3 384.933 1.764 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(I)cc1 ZINC000293297039 531413429 /nfs/dbraw/zinc/41/34/29/531413429.db2.gz HDXMPPUIQMCLNM-UHFFFAOYSA-N 0 3 399.232 1.301 20 30 GDEDHN N#Cc1c(Br)cccc1OCC(=O)NCC1CCN(CCO)CC1 ZINC000450170171 531487561 /nfs/dbraw/zinc/48/75/61/531487561.db2.gz VGYLLCFSXRYAJT-UHFFFAOYSA-N 0 3 396.285 1.520 20 30 GDEDHN CN(CCC#N)C[C@@H](O)CNCc1cc(Br)c2c(c1)OCCO2 ZINC000583138745 531566449 /nfs/dbraw/zinc/56/64/49/531566449.db2.gz HLIHIMSBXMNENK-ZDUSSCGKSA-N 0 3 384.274 1.516 20 30 GDEDHN CCN1CCN([C@@H](C)CNS(=O)(=O)c2ccc(CC#N)cc2Cl)CC1 ZINC000451426714 531612667 /nfs/dbraw/zinc/61/26/67/531612667.db2.gz IGIGXNKDLCEAAX-AWEZNQCLSA-N 0 3 384.933 1.710 20 30 GDEDHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccc(Br)c(C#N)c3)[C@@H]2C1 ZINC000590279368 531686541 /nfs/dbraw/zinc/68/65/41/531686541.db2.gz BONYLQKGJCHZBV-QMTHXVAHSA-N 0 3 377.242 1.422 20 30 GDEDHN CN(C[C@H]1CCCN(CCC(=O)Nc2sccc2C#N)C1)S(C)(=O)=O ZINC000511081092 531790818 /nfs/dbraw/zinc/79/08/18/531790818.db2.gz LYNGZNTVRZHVLM-CYBMUJFWSA-N 0 3 384.527 1.552 20 30 GDEDHN CS[C@@H]1CN(C(=O)Nc2nc(CN3CCOCC3)cs2)C[C@H]1N(C)C ZINC000329029736 532094463 /nfs/dbraw/zinc/09/44/63/532094463.db2.gz WTRAGGODMFJDKC-ZIAGYGMSSA-N 0 3 385.559 1.498 20 30 GDEDHN C[C@H]1C[C@H](NC(=O)NCC2(O)CCN(C)CC2)c2ccsc2S1(=O)=O ZINC000329631607 532108357 /nfs/dbraw/zinc/10/83/57/532108357.db2.gz RNRMRDRVFIIQPQ-AAEUAGOBSA-N 0 3 387.527 1.315 20 30 GDEDHN C=CCN1CCC(NC(=O)C(=O)N(C)Cc2cc(Br)cn2C)CC1 ZINC000286619286 532164485 /nfs/dbraw/zinc/16/44/85/532164485.db2.gz LUULKAGOXPOYIU-UHFFFAOYSA-N 0 3 397.317 1.513 20 30 GDEDHN [NH2+]=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)N1CCCCCC1 ZINC000262822922 645141220 /nfs/dbraw/zinc/14/12/20/645141220.db2.gz YVMUAZAPZSDPNZ-UHFFFAOYSA-N 0 3 376.885 1.948 20 30 GDEDHN CCN1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3ccsc3C#N)C2)[C@@H]1C(C)C ZINC000920303905 660269852 /nfs/dbraw/zinc/26/98/52/660269852.db2.gz TXTKGKDZHCVAFN-UTJXIGIESA-N 0 3 383.539 1.768 20 30 GDEDHN N#Cc1cc(Br)ccc1N1CC(C(=O)NCCN2CCCC2)C1 ZINC000592747929 652201151 /nfs/dbraw/zinc/20/11/51/652201151.db2.gz RMZAOCCXHMFOBY-UHFFFAOYSA-N 0 3 377.286 1.969 20 30 GDEDHN COCCN(C)CCN1C[C@H](Nc2ncc(Br)cc2C#N)CC1=O ZINC000601178101 652564717 /nfs/dbraw/zinc/56/47/17/652564717.db2.gz LHEPCRZQWCWBAH-CQSZACIVSA-N 0 3 396.289 1.307 20 30 GDEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)C[C@H]1CCS(=O)(=O)C1 ZINC000740888064 654675281 /nfs/dbraw/zinc/67/52/81/654675281.db2.gz MCUAFVXLMPMXSF-OLZOCXBDSA-N 0 3 377.491 1.839 20 30 GDEDHN C#CCN1CCC[C@H]1C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000730283755 654928037 /nfs/dbraw/zinc/92/80/37/654928037.db2.gz OKUFRRFZEFTXLE-AWEZNQCLSA-N 0 3 388.269 1.948 20 30 GDEDHN CCN(CC)S(=O)(=O)CC(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786538440 654943024 /nfs/dbraw/zinc/94/30/24/654943024.db2.gz UNNAVTZZOWBBGQ-CQSZACIVSA-N 0 3 385.873 1.337 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccccc1I ZINC000815861179 655306590 /nfs/dbraw/zinc/30/65/90/655306590.db2.gz VGLUMVZWLOXZOQ-UHFFFAOYSA-N 0 3 399.232 1.301 20 30 GDEDHN C#CCN(C)CCCNC(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000818593350 655376931 /nfs/dbraw/zinc/37/69/31/655376931.db2.gz VICNJUQEGTTXGY-CQSZACIVSA-N 0 3 392.297 1.873 20 30 GDEDHN C=C(Br)CNC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000818979660 655382774 /nfs/dbraw/zinc/38/27/74/655382774.db2.gz TYFORJHZKRSBSE-MRXNPFEDSA-N 0 3 384.318 1.676 20 30 GDEDHN C#CCN(C)CCCNC(=O)C[C@H]1c2cc(Br)ccc2NC1=O ZINC000820688633 655413778 /nfs/dbraw/zinc/41/37/78/655413778.db2.gz WOVBRKYHDDHSRO-AWEZNQCLSA-N 0 3 378.270 1.946 20 30 GDEDHN C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)ccc1F ZINC000825207106 655485805 /nfs/dbraw/zinc/48/58/05/655485805.db2.gz DDTIWPLFOPSYQL-LBPRGKRZSA-N 0 3 383.367 1.300 20 30 GDEDHN C#CCN(C)CCCNC(=O)NCc1cc(OC)c(O)cc1Br ZINC000827114734 655506076 /nfs/dbraw/zinc/50/60/76/655506076.db2.gz OPNUHCKLXNXOHZ-UHFFFAOYSA-N 0 3 384.274 1.918 20 30 GDEDHN CN1CCC[C@@H]1C(=O)N1CCN(c2cc(Br)cnc2C#N)CC1 ZINC000853448471 655639696 /nfs/dbraw/zinc/63/96/96/655639696.db2.gz IYDXIYHHEADHGU-CQSZACIVSA-N 0 3 378.274 1.459 20 30 GDEDHN Cn1ncc(I)c1CNC(=O)[C@@H](N)CCCCC#N ZINC000868051196 656138628 /nfs/dbraw/zinc/13/86/28/656138628.db2.gz CMMUMMZAUDHSQD-JTQLQIEISA-N 0 3 375.214 1.052 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(Cc2noc(-c3cccs3)n2)CC1 ZINC000876879342 656636715 /nfs/dbraw/zinc/63/67/15/656636715.db2.gz KCTDPLZKFYPPKG-GFCCVEGCSA-N 0 3 381.889 1.912 20 30 GDEDHN C#CCN(C)CCCNC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 ZINC000932432623 657184783 /nfs/dbraw/zinc/18/47/83/657184783.db2.gz KSTDPVVJQDZDNB-UHFFFAOYSA-N 0 3 395.257 1.857 20 30 GDEDHN C=C(Br)CNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000934315219 657351973 /nfs/dbraw/zinc/35/19/73/657351973.db2.gz JRZLMNKEGDRYKB-HNNXBMFYSA-N 0 3 397.317 1.496 20 30 GDEDHN C#CCN(C(=O)Cc1csc(S[C@@H](C)C(N)=O)n1)C1CCN(C)CC1 ZINC000886572334 657675787 /nfs/dbraw/zinc/67/57/87/657675787.db2.gz IGQVPSNCHGZVCZ-LBPRGKRZSA-N 0 3 380.539 1.208 20 30 GDEDHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2nc(Cl)c(C#N)s2)CC1 ZINC000888411135 657900720 /nfs/dbraw/zinc/90/07/20/657900720.db2.gz NRKZOULVXHMOJC-UHFFFAOYSA-N 0 3 384.893 1.686 20 30 GDEDHN N#Cc1cc(Br)ccc1CC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000889747708 658028237 /nfs/dbraw/zinc/02/82/37/658028237.db2.gz BLZLUGUDBAQHFX-SJORKVTESA-N 0 3 392.297 1.921 20 30 GDEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@@H]2CCCN2CC(F)(F)F)nc1 ZINC000905567081 659466172 /nfs/dbraw/zinc/46/61/72/659466172.db2.gz XVYQGJBMQNJSQK-ZDUSSCGKSA-N 0 3 376.404 1.343 20 30 GDEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2CNCCN2C)nc1C ZINC000912215592 660029731 /nfs/dbraw/zinc/02/97/31/660029731.db2.gz XRONZBXXOOBWSM-SNVBAGLBSA-N 0 3 379.515 1.027 20 30 GDEDHN C#CCCCC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573284567 946750260 /nfs/dbraw/zinc/75/02/60/946750260.db2.gz GKFTYBLVBMYLLS-YOEHRIQHSA-N 0 3 384.459 1.993 20 30 GDEDHN C#CCCCC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573284567 946750271 /nfs/dbraw/zinc/75/02/71/946750271.db2.gz GKFTYBLVBMYLLS-YOEHRIQHSA-N 0 3 384.459 1.993 20 30 GDEDHN C#CCO[C@H](C)C(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573285193 946771941 /nfs/dbraw/zinc/77/19/41/946771941.db2.gz DYEVJCNTWALOTM-HZPDHXFCSA-N 0 3 382.468 1.185 20 30 GDEDHN C#CCO[C@H](C)C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573285193 946771952 /nfs/dbraw/zinc/77/19/52/946771952.db2.gz DYEVJCNTWALOTM-HZPDHXFCSA-N 0 3 382.468 1.185 20 30 GDEDHN C#CCO[C@H](C)C(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573285193 946771960 /nfs/dbraw/zinc/77/19/60/946771960.db2.gz DYEVJCNTWALOTM-HZPDHXFCSA-N 0 3 382.468 1.185 20 30 GDEDHN C#CCO[C@H](C)C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573285193 946771968 /nfs/dbraw/zinc/77/19/68/946771968.db2.gz DYEVJCNTWALOTM-HZPDHXFCSA-N 0 3 382.468 1.185 20 30 GDEDHN C#Cc1ccc(C(=O)N[C@@H](C)CC[NH2+]Cc2ccccc2-c2nnn[n-]2)nc1 ZINC001573289439 946886045 /nfs/dbraw/zinc/88/60/45/946886045.db2.gz YZXFNYNCTRILOW-AWEZNQCLSA-N 0 3 375.436 1.541 20 30 GDEDHN C#Cc1ccc(C(=O)N[C@@H](C)CC[NH2+]Cc2ccccc2-c2nn[n-]n2)nc1 ZINC001573289439 946886056 /nfs/dbraw/zinc/88/60/56/946886056.db2.gz YZXFNYNCTRILOW-AWEZNQCLSA-N 0 3 375.436 1.541 20 30 GDEDHN C=C(Br)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573291833 946923891 /nfs/dbraw/zinc/92/38/91/946923891.db2.gz KBYPNINKMMVCJY-VHSXEESVSA-N 0 3 382.266 1.590 20 30 GDEDHN C=C(Br)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573291833 946923898 /nfs/dbraw/zinc/92/38/98/946923898.db2.gz KBYPNINKMMVCJY-VHSXEESVSA-N 0 3 382.266 1.590 20 30 GDEDHN C=C(Br)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573291834 946924232 /nfs/dbraw/zinc/92/42/32/946924232.db2.gz KBYPNINKMMVCJY-ZJUUUORDSA-N 0 3 382.266 1.590 20 30 GDEDHN C=C(Br)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573291834 946924236 /nfs/dbraw/zinc/92/42/36/946924236.db2.gz KBYPNINKMMVCJY-ZJUUUORDSA-N 0 3 382.266 1.590 20 30 GDEDHN C=C(C)C(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573292931 946943223 /nfs/dbraw/zinc/94/32/23/946943223.db2.gz HJZAPKJAIHMTLJ-CYBMUJFWSA-N 0 3 376.436 1.175 20 30 GDEDHN C=C(C)C(C)(C)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573292931 946943226 /nfs/dbraw/zinc/94/32/26/946943226.db2.gz HJZAPKJAIHMTLJ-CYBMUJFWSA-N 0 3 376.436 1.175 20 30 GDEDHN C=C(C)[C@H](CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1)OCC ZINC001573293220 946951736 /nfs/dbraw/zinc/95/17/36/946951736.db2.gz PCUHCIGYPLIYSQ-ROUUACIJSA-N 0 3 384.484 1.929 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573567905 947059504 /nfs/dbraw/zinc/05/95/04/947059504.db2.gz UUTQDSXQYVXVOZ-HIFRSBDPSA-N 0 3 385.447 1.836 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573567905 947059517 /nfs/dbraw/zinc/05/95/17/947059517.db2.gz UUTQDSXQYVXVOZ-HIFRSBDPSA-N 0 3 385.447 1.836 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573567906 947060404 /nfs/dbraw/zinc/06/04/04/947060404.db2.gz UUTQDSXQYVXVOZ-UKRRQHHQSA-N 0 3 385.447 1.836 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573567906 947060410 /nfs/dbraw/zinc/06/04/10/947060410.db2.gz UUTQDSXQYVXVOZ-UKRRQHHQSA-N 0 3 385.447 1.836 20 30 GDEDHN C[C@@H](C#N)C(=O)N1C[C@]2(C)C[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@]2(C)C1 ZINC001573570876 947095981 /nfs/dbraw/zinc/09/59/81/947095981.db2.gz WBDYBOSFUONWJH-PNHOKKKMSA-N 0 3 379.468 1.697 20 30 GDEDHN C[C@@H](C#N)C(=O)N1C[C@]2(C)C[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@]2(C)C1 ZINC001573570876 947095994 /nfs/dbraw/zinc/09/59/94/947095994.db2.gz WBDYBOSFUONWJH-PNHOKKKMSA-N 0 3 379.468 1.697 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573309404 947198735 /nfs/dbraw/zinc/19/87/35/947198735.db2.gz ILPPMKYHCGNXHQ-LIRRHRJNSA-N 0 3 388.447 1.271 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573309404 947198741 /nfs/dbraw/zinc/19/87/41/947198741.db2.gz ILPPMKYHCGNXHQ-LIRRHRJNSA-N 0 3 388.447 1.271 20 30 GDEDHN C=CCCC(=O)N1CCO[C@H]([C@H](C)[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573328709 947411886 /nfs/dbraw/zinc/41/18/86/947411886.db2.gz AFKNPDBHMAPJOP-GUYCJALGSA-N 0 3 388.447 1.678 20 30 GDEDHN C=CCCC(=O)N1CCO[C@H]([C@H](C)[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573328709 947411889 /nfs/dbraw/zinc/41/18/89/947411889.db2.gz AFKNPDBHMAPJOP-GUYCJALGSA-N 0 3 388.447 1.678 20 30 GDEDHN C=CCOCC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001573347676 947574976 /nfs/dbraw/zinc/57/49/76/947574976.db2.gz GICGBSIVZYRNPV-LJQANCHMSA-N 0 3 385.472 1.326 20 30 GDEDHN C=CCOCC[N@H+]1CCC[C@@]2(CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001573347676 947574980 /nfs/dbraw/zinc/57/49/80/947574980.db2.gz GICGBSIVZYRNPV-LJQANCHMSA-N 0 3 385.472 1.326 20 30 GDEDHN CC(C)(C)C#CC(=O)NCCOCCC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573792823 949269514 /nfs/dbraw/zinc/26/95/14/949269514.db2.gz FAPZYNTZQZARMN-UHFFFAOYSA-N 0 3 384.484 1.529 20 30 GDEDHN CC(C)(C)C#CC(=O)NCCOCCC[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573792823 949269542 /nfs/dbraw/zinc/26/95/42/949269542.db2.gz FAPZYNTZQZARMN-UHFFFAOYSA-N 0 3 384.484 1.529 20 30 GDEDHN C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575908368 950366734 /nfs/dbraw/zinc/36/67/34/950366734.db2.gz BJUDYJTYAQQRTI-LRDDRELGSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575908368 950366750 /nfs/dbraw/zinc/36/67/50/950366750.db2.gz BJUDYJTYAQQRTI-LRDDRELGSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@@H]1[C@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575908550 950370486 /nfs/dbraw/zinc/37/04/86/950370486.db2.gz UYIPQVSLCYOHGM-MLGOLLRUSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@@H]1[C@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575908550 950370505 /nfs/dbraw/zinc/37/05/05/950370505.db2.gz UYIPQVSLCYOHGM-MLGOLLRUSA-N 0 3 376.424 1.459 20 30 GDEDHN N#Cc1cc(C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)c[nH]1 ZINC001571120853 952510450 /nfs/dbraw/zinc/51/04/50/952510450.db2.gz RRDPPGCTPLBZGB-CYBMUJFWSA-N 0 3 376.424 1.318 20 30 GDEDHN N#Cc1cc(C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)c[nH]1 ZINC001571120853 952510454 /nfs/dbraw/zinc/51/04/54/952510454.db2.gz RRDPPGCTPLBZGB-CYBMUJFWSA-N 0 3 376.424 1.318 20 30 GDEDHN COCCN(C)CCCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000292982216 531392960 /nfs/dbraw/zinc/39/29/60/531392960.db2.gz HSULYGJJPZVZSE-UHFFFAOYSA-N 0 3 397.273 1.344 20 30 GDEDHN C#CCN1CCC(C(=O)NCc2nc3cc(Br)cnc3[nH]2)CC1 ZINC000267103369 531397976 /nfs/dbraw/zinc/39/79/76/531397976.db2.gz PDJYZRKHXLUFQB-UHFFFAOYSA-N 0 3 376.258 1.682 20 30 GDEDHN C#CC[NH+]1CCC(C(=O)NCc2nc3cc(Br)cnc3[n-]2)CC1 ZINC000267103369 531397982 /nfs/dbraw/zinc/39/79/82/531397982.db2.gz PDJYZRKHXLUFQB-UHFFFAOYSA-N 0 3 376.258 1.682 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000293357693 531416286 /nfs/dbraw/zinc/41/62/86/531416286.db2.gz LGSFARWFBPECFN-UHFFFAOYSA-N 0 3 388.212 1.737 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC(C)(C)CS(C)(=O)=O)cc1 ZINC000483622986 531413568 /nfs/dbraw/zinc/41/35/68/531413568.db2.gz OQXBALJBSVRBFP-LLVKDONJSA-N 0 3 387.483 1.317 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000293520645 531426491 /nfs/dbraw/zinc/42/64/91/531426491.db2.gz YVYNJYWNCRGPNV-VWLOTQADSA-N 0 3 383.901 1.228 20 30 GDEDHN C[C@@H](CNC(=O)c1ccc(Br)cc1C#N)CN1CCN(C)CC1 ZINC000294936103 531509072 /nfs/dbraw/zinc/50/90/72/531509072.db2.gz LZPZEURKBPPDEN-ZDUSSCGKSA-N 0 3 379.302 1.934 20 30 GDEDHN CN1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000559628389 531606417 /nfs/dbraw/zinc/60/64/17/531606417.db2.gz FTYXEDHTFUATMC-LLVKDONJSA-N 0 3 379.258 1.717 20 30 GDEDHN CCN1CCN([C@H](C)CNS(=O)(=O)c2ccc(CC#N)cc2Cl)CC1 ZINC000451426716 531613611 /nfs/dbraw/zinc/61/36/11/531613611.db2.gz IGIGXNKDLCEAAX-CQSZACIVSA-N 0 3 384.933 1.710 20 30 GDEDHN CN(CCCc1[nH]nc(N)c1C#N)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000584410647 531618304 /nfs/dbraw/zinc/61/83/04/531618304.db2.gz DUSFUMQGJOUHML-UHFFFAOYSA-N 0 3 382.877 1.229 20 30 GDEDHN COC(=O)CN(Cc1cccc(Br)c1)S(=O)(=O)C(C)C#N ZINC000416469159 531631862 /nfs/dbraw/zinc/63/18/62/531631862.db2.gz IRUUNSBONBGJCL-SNVBAGLBSA-N 0 3 375.244 1.666 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC(C)(C)S(C)(=O)=O)cc1 ZINC000588290381 531652194 /nfs/dbraw/zinc/65/21/94/531652194.db2.gz NMSOLDRWWKTPFX-LLVKDONJSA-N 0 3 387.483 1.317 20 30 GDEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1cc(OC)ncc1Br ZINC000622039798 531766799 /nfs/dbraw/zinc/76/67/99/531766799.db2.gz SUYGGZNDFQSRBY-SECBINFHSA-N 0 3 377.260 1.458 20 30 GDEDHN CC(C#N)C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000510377454 531788194 /nfs/dbraw/zinc/78/81/94/531788194.db2.gz MDVCZNCVFXBQQV-JTQLQIEISA-N 0 3 376.265 1.986 20 30 GDEDHN CN1C[C@H]2CCN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)[C@@H]2C1 ZINC000592802355 531802122 /nfs/dbraw/zinc/80/21/22/531802122.db2.gz XNKWTIFKNROWIS-SJKOYZFVSA-N 0 3 389.297 1.919 20 30 GDEDHN CC(C)(C#N)C[C@@H](O)C[NH2+]CC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000598724080 531992910 /nfs/dbraw/zinc/99/29/10/531992910.db2.gz LXJQONGWDXFSRJ-GFCCVEGCSA-N 0 3 377.869 1.648 20 30 GDEDHN N#CC1(C[C@H](O)CNCC(=O)Nc2ccc(I)cc2)CC1 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ZINC000876750091 656627605 /nfs/dbraw/zinc/62/76/05/656627605.db2.gz DRZKPQAWERXLHR-HNNXBMFYSA-N 0 3 385.295 1.575 20 30 GDEDHN CN1CCC[C@@H]1C(=O)N1CCN(c2ncc(C#N)cc2Br)CC1 ZINC000882102733 657043370 /nfs/dbraw/zinc/04/33/70/657043370.db2.gz QXTKEHWKTCXPEZ-CQSZACIVSA-N 0 3 378.274 1.459 20 30 GDEDHN N#Cc1cnc(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c(Br)c1 ZINC000882125906 657048055 /nfs/dbraw/zinc/04/80/55/657048055.db2.gz PRUOCILXQHKMMV-CQSZACIVSA-N 0 3 378.274 1.634 20 30 GDEDHN N#Cc1ccc(S(=O)(=O)CCNCC[C@@H]2CC[C@@H](C(F)(F)F)O2)nc1 ZINC000905556196 659464401 /nfs/dbraw/zinc/46/44/01/659464401.db2.gz LMAIEBRBEZMJIO-STQMWFEESA-N 0 3 377.388 1.817 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573285575 946783437 /nfs/dbraw/zinc/78/34/37/946783437.db2.gz JBOFYKUKGNNVOS-DZGCQCFKSA-N 0 3 386.431 1.125 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573285575 946783441 /nfs/dbraw/zinc/78/34/41/946783441.db2.gz 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/nfs/dbraw/zinc/96/97/65/946969765.db2.gz LEKMWSNXNOFRCX-XSWJXKHESA-N 0 3 381.484 1.943 20 30 GDEDHN C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573293840 946969769 /nfs/dbraw/zinc/96/97/69/946969769.db2.gz LEKMWSNXNOFRCX-XSWJXKHESA-N 0 3 381.484 1.943 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001573568205 947071256 /nfs/dbraw/zinc/07/12/56/947071256.db2.gz ZFSKZPBCBVWAII-DJJJIMSYSA-N 0 3 383.431 1.590 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001573568205 947071269 /nfs/dbraw/zinc/07/12/69/947071269.db2.gz ZFSKZPBCBVWAII-DJJJIMSYSA-N 0 3 383.431 1.590 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573309381 947199131 /nfs/dbraw/zinc/19/91/31/947199131.db2.gz IDWDHGGTPZSAQI-QRWLVFNGSA-N 0 3 384.484 1.522 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573309381 947199137 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382.403 1.361 20 30 GDEDHN N#Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cc1 ZINC001571119867 952495735 /nfs/dbraw/zinc/49/57/35/952495735.db2.gz GWVNKXHCRSKILK-OAHLLOKOSA-N 0 3 376.424 1.461 20 30 GDEDHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001571120916 952511929 /nfs/dbraw/zinc/51/19/29/952511929.db2.gz UBQBRZUVLSCSFN-BLLLJJGKSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001571120916 952511933 /nfs/dbraw/zinc/51/19/33/952511933.db2.gz UBQBRZUVLSCSFN-BLLLJJGKSA-N 0 3 376.424 1.459 20 30 GDEDHN C=CCN1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000171724444 530601785 /nfs/dbraw/zinc/60/17/85/530601785.db2.gz FDUYBYPOYMTXSK-ZDUSSCGKSA-N 0 3 385.917 1.773 20 30 GDEDHN C=CCN1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000171727129 530601967 /nfs/dbraw/zinc/60/19/67/530601967.db2.gz VIYCZVYHPNLDLX-UHFFFAOYSA-N 0 3 385.917 1.971 20 30 GDEDHN 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CS(=O)(=O)[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000763911671 655204621 /nfs/dbraw/zinc/20/46/21/655204621.db2.gz JTZRUNBUUDHOLV-OLZOCXBDSA-N 0 3 377.491 1.982 20 30 GDEDHN C#CCN(C)CCCNC(=O)NC[C@H](CO)Cc1ccccc1Br ZINC000838623870 655221125 /nfs/dbraw/zinc/22/11/25/655221125.db2.gz SZJCUWCNGDYGNR-OAHLLOKOSA-N 0 3 396.329 1.854 20 30 GDEDHN C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCN2C(C)(C)C)s1 ZINC000824362136 655474421 /nfs/dbraw/zinc/47/44/21/655474421.db2.gz ZALIJWANCBZVAT-ZDUSSCGKSA-N 0 3 385.555 1.744 20 30 GDEDHN C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@H]2CCN(C3CC3)C2)s1 ZINC000874457532 656471275 /nfs/dbraw/zinc/47/12/75/656471275.db2.gz PDNSUZWGFNWFBO-AWEZNQCLSA-N 0 3 383.539 1.450 20 30 GDEDHN CCN(CC)c1ccc(/C=[NH+]/CCS(=O)(=O)N=S(C)(C)=O)c([O-])c1 ZINC000905001068 659416091 /nfs/dbraw/zinc/41/60/91/659416091.db2.gz DSDGWANHTUXOKI-FOWTUZBSSA-N 0 3 375.516 1.715 20 30 GDEDHN CN(C)C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CCO1 ZINC000906953315 659626906 /nfs/dbraw/zinc/62/69/06/659626906.db2.gz OOMDAKZBSLYVNP-GFCCVEGCSA-N 0 3 388.287 1.272 20 30 GDEDHN COC(=O)c1cc(C#N)cnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880416 721177622 /nfs/dbraw/zinc/17/76/22/721177622.db2.gz WKHMYHYKMMAIMQ-ROUUACIJSA-N 0 3 393.447 1.615 20 30 GDEDHN C=C(Cl)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571285435 945916181 /nfs/dbraw/zinc/91/61/81/945916181.db2.gz DOSQWGZFSHAKGY-AEIGPULVSA-N 0 3 387.875 1.730 20 30 GDEDHN N#Cc1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)c[nH]1 ZINC001571298666 946225612 /nfs/dbraw/zinc/22/56/12/946225612.db2.gz ISBIYTNXHWYPOL-XJKSGUPXSA-N 0 3 390.451 1.755 20 30 GDEDHN N#Cc1cc(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)c[nH]1 ZINC001571298666 946225623 /nfs/dbraw/zinc/22/56/23/946225623.db2.gz ISBIYTNXHWYPOL-XJKSGUPXSA-N 0 3 390.451 1.755 20 30 GDEDHN C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)cn1 ZINC001573287942 946851424 /nfs/dbraw/zinc/85/14/24/946851424.db2.gz MEQJQSPVKHDYSO-MRXNPFEDSA-N 0 3 391.410 1.386 20 30 GDEDHN C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(F)c(-c4nn[n-]n4)c3)C2)cn1 ZINC001573287942 946851430 /nfs/dbraw/zinc/85/14/30/946851430.db2.gz MEQJQSPVKHDYSO-MRXNPFEDSA-N 0 3 391.410 1.386 20 30 GDEDHN C#CCOCCC(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573288500 946866737 /nfs/dbraw/zinc/86/67/37/946866737.db2.gz LRZGEFBIJRHSPY-MRXNPFEDSA-N 0 3 382.468 1.235 20 30 GDEDHN C#CCOCCC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573288500 946866740 /nfs/dbraw/zinc/86/67/40/946866740.db2.gz LRZGEFBIJRHSPY-MRXNPFEDSA-N 0 3 382.468 1.235 20 30 GDEDHN C#CCOCCC(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573288500 946866757 /nfs/dbraw/zinc/86/67/57/946866757.db2.gz LRZGEFBIJRHSPY-MRXNPFEDSA-N 0 3 382.468 1.235 20 30 GDEDHN C#CCOCCC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573288500 946866770 /nfs/dbraw/zinc/86/67/70/946866770.db2.gz LRZGEFBIJRHSPY-MRXNPFEDSA-N 0 3 382.468 1.235 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC(CC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001573565351 947007365 /nfs/dbraw/zinc/00/73/65/947007365.db2.gz QJRXZFXLTIMBGD-CYBMUJFWSA-N 0 3 385.447 1.884 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001573566352 947023611 /nfs/dbraw/zinc/02/36/11/947023611.db2.gz BLSKKVXWDSUFLZ-YWZLYKJASA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccccc3-c3nnn[n-]3)C2)C1 ZINC001573566352 947023624 /nfs/dbraw/zinc/02/36/24/947023624.db2.gz BLSKKVXWDSUFLZ-YWZLYKJASA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC[C@@]2(CC[N@H+](Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001573566352 947023635 /nfs/dbraw/zinc/02/36/35/947023635.db2.gz BLSKKVXWDSUFLZ-YWZLYKJASA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC[C@@]2(CC[N@@H+](Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001573566352 947023645 /nfs/dbraw/zinc/02/36/45/947023645.db2.gz BLSKKVXWDSUFLZ-YWZLYKJASA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573570464 947089117 /nfs/dbraw/zinc/08/91/17/947089117.db2.gz PQVOHRSTXRGFQF-LIVBEALHSA-N 0 3 379.468 1.745 20 30 GDEDHN C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573570464 947089132 /nfs/dbraw/zinc/08/91/32/947089132.db2.gz PQVOHRSTXRGFQF-LIVBEALHSA-N 0 3 379.468 1.745 20 30 GDEDHN C[C@@H](C#N)C(=O)NC1(C2CC[NH+](Cc3ccccc3-c3nnn[n-]3)CC2)CC1 ZINC001573575586 947141603 /nfs/dbraw/zinc/14/16/03/947141603.db2.gz YZNPCYUPTWEMAR-AWEZNQCLSA-N 0 3 379.468 1.887 20 30 GDEDHN C[C@@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573584182 947213709 /nfs/dbraw/zinc/21/37/09/947213709.db2.gz QZEBQSYUMOMBIN-PLYYQAHHSA-N 0 3 379.468 1.886 20 30 GDEDHN C[C@@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573584182 947213720 /nfs/dbraw/zinc/21/37/20/947213720.db2.gz QZEBQSYUMOMBIN-PLYYQAHHSA-N 0 3 379.468 1.886 20 30 GDEDHN C[C@@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573584182 947213730 /nfs/dbraw/zinc/21/37/30/947213730.db2.gz QZEBQSYUMOMBIN-PLYYQAHHSA-N 0 3 379.468 1.886 20 30 GDEDHN C[C@@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573584182 947213741 /nfs/dbraw/zinc/21/37/41/947213741.db2.gz QZEBQSYUMOMBIN-PLYYQAHHSA-N 0 3 379.468 1.886 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573350727 947602033 /nfs/dbraw/zinc/60/20/33/947602033.db2.gz JHBLNZXRLRLYOP-QRQLOZEOSA-N 0 3 396.495 1.786 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573350727 947602041 /nfs/dbraw/zinc/60/20/41/947602041.db2.gz JHBLNZXRLRLYOP-QRQLOZEOSA-N 0 3 396.495 1.786 20 30 GDEDHN C[C@H](CNC(=O)c1c[nH]c(C#N)c1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575078245 951679130 /nfs/dbraw/zinc/67/91/30/951679130.db2.gz KIANSPDGUAPJED-NSHDSACASA-N 0 3 382.403 1.361 20 30 GDEDHN 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C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575017390 950991074 /nfs/dbraw/zinc/99/10/74/950991074.db2.gz DTKIMKAMEZHWBW-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575017390 950991086 /nfs/dbraw/zinc/99/10/86/950991086.db2.gz DTKIMKAMEZHWBW-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN COC(=O)[C@@]1(C)CN(C(=O)C(C#N)Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1C ZINC001571202495 953026439 /nfs/dbraw/zinc/02/64/39/953026439.db2.gz ZEBYGPQIKFKNLA-HGQUKEQDSA-N 0 3 382.424 1.207 20 30 GDEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(Br)nc2C)CC1 ZINC000179779043 530750150 /nfs/dbraw/zinc/75/01/50/530750150.db2.gz RHTWVVRIHJBJED-UHFFFAOYSA-N 0 3 381.274 1.858 20 30 GDEDHN C[C@H](O)CN1CCC(CN(C)S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000183698615 530819542 /nfs/dbraw/zinc/81/95/42/530819542.db2.gz HVKNSECCDGKLTO-ZDUSSCGKSA-N 0 3 385.917 1.925 20 30 GDEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)N(C)C1CC1 ZINC000293380143 531418277 /nfs/dbraw/zinc/41/82/77/531418277.db2.gz LDPSWVFVKWZSDJ-SNVBAGLBSA-N 0 3 379.258 1.858 20 30 GDEDHN C#CCN(C)CCCNC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000294038300 531459257 /nfs/dbraw/zinc/45/92/57/531459257.db2.gz SDWZTJFCQAARFW-UHFFFAOYSA-N 0 3 383.539 1.146 20 30 GDEDHN COCCN(C)CCCNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449561607 531471273 /nfs/dbraw/zinc/47/12/73/531471273.db2.gz DKKAHAYTGXUEOX-UHFFFAOYSA-N 0 3 384.274 1.784 20 30 GDEDHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000294741216 531494235 /nfs/dbraw/zinc/49/42/35/531494235.db2.gz LIVRQUXDSJUFHF-SMDDNHRTSA-N 0 3 391.269 1.954 20 30 GDEDHN N#Cc1cnn2c1NC[C@H](CNCC(=O)Nc1cccc(Br)c1)C2 ZINC000584781413 531629508 /nfs/dbraw/zinc/62/95/08/531629508.db2.gz NHJKBBNVTFEIFN-NSHDSACASA-N 0 3 389.257 1.787 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCS(=O)(=O)CC2)cc1 ZINC000588289040 531651099 /nfs/dbraw/zinc/65/10/99/531651099.db2.gz MTZUFCVDCGIFCM-GFCCVEGCSA-N 0 3 385.467 1.025 20 30 GDEDHN CN1CCN(CCCNC(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593390395 531832297 /nfs/dbraw/zinc/83/22/97/531832297.db2.gz CFQQORAISMTAHM-UHFFFAOYSA-N 0 3 379.302 1.617 20 30 GDEDHN C[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1Br)N(C)C1CC1 ZINC000419691246 531955656 /nfs/dbraw/zinc/95/56/56/531955656.db2.gz FHYGLSVHEFAZSJ-JTQLQIEISA-N 0 3 379.258 1.858 20 30 GDEDHN CN(C)CC[C@@](C)(O)CNC(=O)COc1cccc(Br)c1C#N ZINC000419994869 531993920 /nfs/dbraw/zinc/99/39/20/531993920.db2.gz JQUWEFQLVVSMED-MRXNPFEDSA-N 0 3 384.274 1.518 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CSC2(C)C)cc1 ZINC000577067635 532032583 /nfs/dbraw/zinc/03/25/83/532032583.db2.gz GUTXOLHTBWLZFO-GWCFXTLKSA-N 0 3 381.479 1.321 20 30 GDEDHN N#CC1(C[C@@H](O)C[NH2+]CC[N-]S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000600733688 532053381 /nfs/dbraw/zinc/05/33/81/532053381.db2.gz AYBBXNKAPWJJNS-GFCCVEGCSA-N 0 3 375.853 1.402 20 30 GDEDHN N#CC1(C[C@H](O)C[NH2+]CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000600742443 532053620 /nfs/dbraw/zinc/05/36/20/532053620.db2.gz WDWDMLKSXAMKHI-NSHDSACASA-N 0 3 392.308 1.916 20 30 GDEDHN CN(C)[C@]1(CNC(=O)c2cccc(N3CCCS3(=O)=O)c2)CCSC1 ZINC000330045264 532113281 /nfs/dbraw/zinc/11/32/81/532113281.db2.gz IBBOZTHWSJNCSB-KRWDZBQOSA-N 0 3 383.539 1.968 20 30 GDEDHN CC[C@@H](C#N)Oc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000736308451 598876959 /nfs/dbraw/zinc/87/69/59/598876959.db2.gz DMMLPTHXXYJNEC-GJZGRUSLSA-N 0 3 393.455 1.576 20 30 GDEDHN CC[C@@H](C#N)Oc1cccc(C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000736308451 598876960 /nfs/dbraw/zinc/87/69/60/598876960.db2.gz DMMLPTHXXYJNEC-GJZGRUSLSA-N 0 3 393.455 1.576 20 30 GDEDHN C=CCN1CCC(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735426384 598361739 /nfs/dbraw/zinc/36/17/39/598361739.db2.gz QHJGNQXRYNSPAN-GOSISDBHSA-N 0 3 381.484 1.602 20 30 GDEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000131065935 644743242 /nfs/dbraw/zinc/74/32/42/644743242.db2.gz VJMCPDYWNACMSF-RKDXNWHRSA-N 0 3 386.271 1.862 20 30 GDEDHN Cc1cc(CCCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)c(C)s1 ZINC000175970497 644908408 /nfs/dbraw/zinc/90/84/08/644908408.db2.gz KNTGEPXYCPJCBX-OAHLLOKOSA-N 0 3 382.507 1.654 20 30 GDEDHN COCCNC(=O)C(C#N)C(=O)CSc1ncnc2sc(C)c(C)c21 ZINC000916892267 660203077 /nfs/dbraw/zinc/20/30/77/660203077.db2.gz KLQYDQZTQBPZHE-NSHDSACASA-N 0 3 378.479 1.872 20 30 GDEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cnc(Br)cc2C)CC1 ZINC000774276038 654621571 /nfs/dbraw/zinc/62/15/71/654621571.db2.gz LVVIKBNALVYATR-UHFFFAOYSA-N 0 3 381.274 1.858 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1c(C)ccc(F)c1Br ZINC000835365449 655099495 /nfs/dbraw/zinc/09/94/95/655099495.db2.gz HSRJDJBUZCCCTO-UHFFFAOYSA-N 0 3 384.249 1.906 20 30 GDEDHN C#CCN(C)CCCNC(=O)NCc1ccc(C(=O)OC)cc1Br ZINC000836490242 655145599 /nfs/dbraw/zinc/14/55/99/655145599.db2.gz OZBRZLLMFPOLGP-UHFFFAOYSA-N 0 3 396.285 1.990 20 30 GDEDHN C#CCN(C)CCCNS(=O)(=O)c1cc(Br)c(C)cc1OC ZINC000815083031 655286095 /nfs/dbraw/zinc/28/60/95/655286095.db2.gz LXSZVNCWEIECRT-UHFFFAOYSA-N 0 3 389.315 2.000 20 30 GDEDHN CCOCCCNC(=O)C(C#N)C(=O)C[C@@H](C)n1cc(Br)cn1 ZINC000842681515 655371016 /nfs/dbraw/zinc/37/10/16/655371016.db2.gz MATRYDSHLSMTBK-DGCLKSJQSA-N 0 3 385.262 1.848 20 30 GDEDHN C#CCN(C)CCCNC(=O)[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000818584407 655376787 /nfs/dbraw/zinc/37/67/87/655376787.db2.gz LZZUHSUSBKUXPK-MRXNPFEDSA-N 0 3 379.913 1.926 20 30 GDEDHN N#Cc1ncc(Br)cc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000853267950 655637559 /nfs/dbraw/zinc/63/75/59/655637559.db2.gz ISGLYEUTLDCKGK-UHFFFAOYSA-N 0 3 378.274 1.460 20 30 GDEDHN C#CCN(C)CCCNS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000859172843 655767391 /nfs/dbraw/zinc/76/73/91/655767391.db2.gz PSURVIWQSNSMDH-UHFFFAOYSA-N 0 3 377.388 1.421 20 30 GDEDHN N#Cc1ccc(Br)c(CNC2CCC3(CC2)NC(=O)NC3=O)c1 ZINC000922126144 656458828 /nfs/dbraw/zinc/45/88/28/656458828.db2.gz QTRVECRKAMZOAA-UHFFFAOYSA-N 0 3 377.242 1.931 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)NCCc1ccc(S(=O)(=O)N(CC)CC)s1 ZINC000876647271 656621685 /nfs/dbraw/zinc/62/16/85/656621685.db2.gz BLAPIGBFABUDGB-CYBMUJFWSA-N 0 3 393.962 1.907 20 30 GDEDHN N#Cc1nc(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)ccc1Br ZINC000883084311 657268046 /nfs/dbraw/zinc/26/80/46/657268046.db2.gz NXCZPKSSSXCHLW-MNOVXSKESA-N 0 3 380.246 1.700 20 30 GDEDHN C[C@H]1CS(=O)(=O)CCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000933313942 657271083 /nfs/dbraw/zinc/27/10/83/657271083.db2.gz ZDKMFQSNHYNDSK-QWHCGFSZSA-N 0 3 377.491 1.982 20 30 GDEDHN COc1ncc(Br)cc1CNC(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884433821 657356493 /nfs/dbraw/zinc/35/64/93/657356493.db2.gz TVTBBPJHTFSEFY-BWBHSNQOSA-N 0 3 379.258 1.608 20 30 GDEDHN C#CCN(C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)C1CCN(C)CC1 ZINC000886582057 657676805 /nfs/dbraw/zinc/67/68/05/657676805.db2.gz DZRQUCRCMNICIW-UHFFFAOYSA-N 0 3 383.901 1.881 20 30 GDEDHN C#CCN(CN1c2ccc(Br)cc2C(=O)C1=O)C1CCN(C)CC1 ZINC000902535985 659261302 /nfs/dbraw/zinc/26/13/02/659261302.db2.gz CQFRMJUWTSBGKI-UHFFFAOYSA-N 0 3 390.281 1.965 20 30 GDEDHN C=CCN(CC=C)[C@H](C[NH2+]C[C@H]1CNc2c(-c3nnn[n-]3)cnn2C1)C(C)C ZINC000819740167 945277424 /nfs/dbraw/zinc/27/74/24/945277424.db2.gz RTQZNDKCTOAERQ-DOTOQJQBSA-N 0 3 385.520 1.393 20 30 GDEDHN C=CCN(CC=C)[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)C(C)C ZINC000819740167 945277431 /nfs/dbraw/zinc/27/74/31/945277431.db2.gz RTQZNDKCTOAERQ-DOTOQJQBSA-N 0 3 385.520 1.393 20 30 GDEDHN C[N@H+](Cc1ccccc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001571298602 946221257 /nfs/dbraw/zinc/22/12/57/946221257.db2.gz HKIXVJTWYXKHAY-INIZCTEOSA-N 0 3 390.451 1.803 20 30 GDEDHN C[N@@H+](Cc1ccccc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001571298602 946221267 /nfs/dbraw/zinc/22/12/67/946221267.db2.gz HKIXVJTWYXKHAY-INIZCTEOSA-N 0 3 390.451 1.803 20 30 GDEDHN C[N@H+](Cc1ccccc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001571298602 946221277 /nfs/dbraw/zinc/22/12/77/946221277.db2.gz HKIXVJTWYXKHAY-INIZCTEOSA-N 0 3 390.451 1.803 20 30 GDEDHN C[N@@H+](Cc1ccccc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001571298602 946221287 /nfs/dbraw/zinc/22/12/87/946221287.db2.gz HKIXVJTWYXKHAY-INIZCTEOSA-N 0 3 390.451 1.803 20 30 GDEDHN C#CCOCCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573286692 946816501 /nfs/dbraw/zinc/81/65/01/946816501.db2.gz HPVDXFSJWHXUHT-GOSISDBHSA-N 0 3 382.468 1.377 20 30 GDEDHN C#CCOCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573286692 946816513 /nfs/dbraw/zinc/81/65/13/946816513.db2.gz HPVDXFSJWHXUHT-GOSISDBHSA-N 0 3 382.468 1.377 20 30 GDEDHN C#CCOCCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573286692 946816526 /nfs/dbraw/zinc/81/65/26/946816526.db2.gz HPVDXFSJWHXUHT-GOSISDBHSA-N 0 3 382.468 1.377 20 30 GDEDHN C#CCOCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573286692 946816537 /nfs/dbraw/zinc/81/65/37/946816537.db2.gz HPVDXFSJWHXUHT-GOSISDBHSA-N 0 3 382.468 1.377 20 30 GDEDHN C#CCOCCC(=O)N1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C(C)(C)C1 ZINC001573287592 946840812 /nfs/dbraw/zinc/84/08/12/946840812.db2.gz NWKHOJGRMSILBI-KRWDZBQOSA-N 0 3 382.468 1.233 20 30 GDEDHN C#CCOCCC(=O)N1C[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC001573287592 946840822 /nfs/dbraw/zinc/84/08/22/946840822.db2.gz NWKHOJGRMSILBI-KRWDZBQOSA-N 0 3 382.468 1.233 20 30 GDEDHN C#Cc1cncc(C(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC001573292271 946931999 /nfs/dbraw/zinc/93/19/99/946931999.db2.gz RLAPSNGYQWMPGP-IBGZPJMESA-N 0 3 387.447 1.541 20 30 GDEDHN C#Cc1cncc(C(=O)N[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC001573292271 946932006 /nfs/dbraw/zinc/93/20/06/946932006.db2.gz RLAPSNGYQWMPGP-IBGZPJMESA-N 0 3 387.447 1.541 20 30 GDEDHN C=C(C)C[NH2+][C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1c1ccccc1 ZINC001573293799 946966849 /nfs/dbraw/zinc/96/68/49/946966849.db2.gz JYOKXKDQDRANFS-FUHWJXTLSA-N 0 3 377.452 1.969 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001573565999 947019382 /nfs/dbraw/zinc/01/93/82/947019382.db2.gz YTRWOGAACSXMHY-YWZLYKJASA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001573565999 947019391 /nfs/dbraw/zinc/01/93/91/947019391.db2.gz YTRWOGAACSXMHY-YWZLYKJASA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC[C@]2(CC[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001573567635 947048998 /nfs/dbraw/zinc/04/89/98/947048998.db2.gz PPPPOCNUSFAAJJ-MGPUTAFESA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001573567635 947049011 /nfs/dbraw/zinc/04/90/11/947049011.db2.gz PPPPOCNUSFAAJJ-MGPUTAFESA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@H](C#N)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1-c1nnn[n-]1)C2 ZINC001573568124 947069040 /nfs/dbraw/zinc/06/90/40/947069040.db2.gz YAAOXMKAQOPJDJ-QRWLVFNGSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@H](C#N)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1-c1nnn[n-]1)C2 ZINC001573568124 947069049 /nfs/dbraw/zinc/06/90/49/947069049.db2.gz YAAOXMKAQOPJDJ-QRWLVFNGSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@@H](NC(=O)[C@@H](C)C#N)C1CC[NH+](Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573584687 947228822 /nfs/dbraw/zinc/22/88/22/947228822.db2.gz BQFYLOMFKBGBTE-QWHCGFSZSA-N 0 3 385.447 1.882 20 30 GDEDHN C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1-c1nnn[n-]1)CC2 ZINC001573584786 947234177 /nfs/dbraw/zinc/23/41/77/947234177.db2.gz DYVXZACNJWVSEV-WIBUTAKZSA-N 0 3 379.468 1.887 20 30 GDEDHN C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccccc1-c1nnn[n-]1)CC2 ZINC001573584786 947234187 /nfs/dbraw/zinc/23/41/87/947234187.db2.gz DYVXZACNJWVSEV-WIBUTAKZSA-N 0 3 379.468 1.887 20 30 GDEDHN C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1-c1nn[n-]n1)CC2 ZINC001573584786 947234200 /nfs/dbraw/zinc/23/42/00/947234200.db2.gz DYVXZACNJWVSEV-WIBUTAKZSA-N 0 3 379.468 1.887 20 30 GDEDHN C[C@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccccc1-c1nn[n-]n1)CC2 ZINC001573584786 947234209 /nfs/dbraw/zinc/23/42/09/947234209.db2.gz DYVXZACNJWVSEV-WIBUTAKZSA-N 0 3 379.468 1.887 20 30 GDEDHN C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001342285256 948506858 /nfs/dbraw/zinc/50/68/58/948506858.db2.gz ZFKNIYSOVNSGAJ-SJORKVTESA-N 0 3 391.483 1.842 20 30 GDEDHN C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001342285256 948506860 /nfs/dbraw/zinc/50/68/60/948506860.db2.gz ZFKNIYSOVNSGAJ-SJORKVTESA-N 0 3 391.483 1.842 20 30 GDEDHN C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001342285256 948506863 /nfs/dbraw/zinc/50/68/63/948506863.db2.gz ZFKNIYSOVNSGAJ-SJORKVTESA-N 0 3 391.483 1.842 20 30 GDEDHN C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001342285256 948506866 /nfs/dbraw/zinc/50/68/66/948506866.db2.gz ZFKNIYSOVNSGAJ-SJORKVTESA-N 0 3 391.483 1.842 20 30 GDEDHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575905739 950297813 /nfs/dbraw/zinc/29/78/13/950297813.db2.gz DWZKDEOSZLIIDQ-MLGOLLRUSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575905739 950297836 /nfs/dbraw/zinc/29/78/36/950297836.db2.gz DWZKDEOSZLIIDQ-MLGOLLRUSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001574527869 950909602 /nfs/dbraw/zinc/90/96/02/950909602.db2.gz IEIGDOCKVNXARA-OLZOCXBDSA-N 0 3 378.440 1.753 20 30 GDEDHN C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001574527869 950909619 /nfs/dbraw/zinc/90/96/19/950909619.db2.gz IEIGDOCKVNXARA-OLZOCXBDSA-N 0 3 378.440 1.753 20 30 GDEDHN C[C@H](CNC(=O)c1c[nH]c(C#N)c1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091387 951775929 /nfs/dbraw/zinc/77/59/29/951775929.db2.gz SGBCHWJBDGESER-NSHDSACASA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@H](CNC(=O)c1c[nH]c(C#N)c1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091387 951775936 /nfs/dbraw/zinc/77/59/36/951775936.db2.gz SGBCHWJBDGESER-NSHDSACASA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@H](CNC(=O)c1cc(C#N)c[nH]1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091574 951779123 /nfs/dbraw/zinc/77/91/23/951779123.db2.gz VHPJTPCCYOEZJA-NSHDSACASA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@H](CNC(=O)c1cc(C#N)c[nH]1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091574 951779129 /nfs/dbraw/zinc/77/91/29/951779129.db2.gz VHPJTPCCYOEZJA-NSHDSACASA-N 0 3 382.403 1.361 20 30 GDEDHN N#Cc1ccc(C(=O)NCC2CC([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)[nH]1 ZINC001571119795 952495926 /nfs/dbraw/zinc/49/59/26/952495926.db2.gz FVKKASICTKKDLW-UHFFFAOYSA-N 0 3 376.424 1.365 20 30 GDEDHN N#Cc1ccc(C(=O)NCC2CC([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)[nH]1 ZINC001571119795 952495933 /nfs/dbraw/zinc/49/59/33/952495933.db2.gz FVKKASICTKKDLW-UHFFFAOYSA-N 0 3 376.424 1.365 20 30 GDEDHN N#Cc1cc(C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)c[nH]1 ZINC001571120854 952510102 /nfs/dbraw/zinc/51/01/02/952510102.db2.gz RRDPPGCTPLBZGB-ZDUSSCGKSA-N 0 3 376.424 1.318 20 30 GDEDHN N#Cc1cc(C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)c[nH]1 ZINC001571120854 952510108 /nfs/dbraw/zinc/51/01/08/952510108.db2.gz RRDPPGCTPLBZGB-ZDUSSCGKSA-N 0 3 376.424 1.318 20 30 GDEDHN COc1ccc(CCNC(=[NH2+])NCC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000160384100 530551645 /nfs/dbraw/zinc/55/16/45/530551645.db2.gz IBEDRVZHBNXTRS-UHFFFAOYSA-N 0 3 382.511 1.182 20 30 GDEDHN C[C@@H](O)CN1CCC(CN(C)S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000161475286 530560869 /nfs/dbraw/zinc/56/08/69/530560869.db2.gz HFZIQVGLKAEOPL-CYBMUJFWSA-N 0 3 385.917 1.925 20 30 GDEDHN C=CCN1CCC(NC(=O)NCCNS(=O)(=O)c2ccc(C)s2)CC1 ZINC000178954543 530732300 /nfs/dbraw/zinc/73/23/00/530732300.db2.gz BCZSMHXRULUKCP-UHFFFAOYSA-N 0 3 386.543 1.284 20 30 GDEDHN C=C(C)CN1CCC(NC(=O)CSc2nnnn2CC(F)(F)F)CC1 ZINC000106035159 530846005 /nfs/dbraw/zinc/84/60/05/530846005.db2.gz XKMWZOADBUZRTH-UHFFFAOYSA-N 0 3 378.424 1.484 20 30 GDEDHN C=C(C)CN1CCC(NC(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000106034255 530846108 /nfs/dbraw/zinc/84/61/08/530846108.db2.gz PBIKDIZUYUQLLE-UHFFFAOYSA-N 0 3 379.262 1.657 20 30 GDEDHN N#Cc1ccc(Cl)c(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)c1 ZINC000475762595 531302300 /nfs/dbraw/zinc/30/23/00/531302300.db2.gz ZOIGWQDRPASQHH-CYBMUJFWSA-N 0 3 384.889 1.077 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(Br)c(F)cc1F ZINC000293447763 531422366 /nfs/dbraw/zinc/42/23/66/531422366.db2.gz SFNAEOSTHXPCDL-UHFFFAOYSA-N 0 3 388.212 1.737 20 30 GDEDHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000293473272 531423374 /nfs/dbraw/zinc/42/33/74/531423374.db2.gz RULDXECVIBYZCT-ZDUSSCGKSA-N 0 3 379.258 1.860 20 30 GDEDHN N#Cc1ccc(NC(=O)C(=O)N[C@H](CN)C2CCCC2)cc1Br ZINC000415822013 531538211 /nfs/dbraw/zinc/53/82/11/531538211.db2.gz JTEPHCLWKOQMMN-CQSZACIVSA-N 0 3 379.258 1.893 20 30 GDEDHN C[C@@H](CO)N1CCCN(C(=O)COc2cccc(Br)c2C#N)CC1 ZINC000451080278 531542196 /nfs/dbraw/zinc/54/21/96/531542196.db2.gz BNJQPYZEYIWBCK-ZDUSSCGKSA-N 0 3 396.285 1.615 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC(C)(C)S(C)(=O)=O)cc1 ZINC000588290382 531652156 /nfs/dbraw/zinc/65/21/56/531652156.db2.gz NMSOLDRWWKTPFX-NSHDSACASA-N 0 3 387.483 1.317 20 30 GDEDHN Cc1ncsc1CN(C)C[C@@H]1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)C1 ZINC000282223306 531723239 /nfs/dbraw/zinc/72/32/39/531723239.db2.gz AYBSEJXCLQACCP-HIFRSBDPSA-N 0 3 385.559 1.684 20 30 GDEDHN C#CCN(C)CCCNC(=O)NC[C@H](O)COc1ccccc1Br ZINC000297218971 531770376 /nfs/dbraw/zinc/77/03/76/531770376.db2.gz FARLYNZXHZGWIV-AWEZNQCLSA-N 0 3 398.301 1.443 20 30 GDEDHN CN(C[C@@H]1CCCN(CCC(=O)Nc2sccc2C#N)C1)S(C)(=O)=O ZINC000511081093 531790748 /nfs/dbraw/zinc/79/07/48/531790748.db2.gz LYNGZNTVRZHVLM-ZDUSSCGKSA-N 0 3 384.527 1.552 20 30 GDEDHN C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)c1 ZINC000270449590 531871644 /nfs/dbraw/zinc/87/16/44/531871644.db2.gz JCLXULLOFVGCQB-HZPDHXFCSA-N 0 3 383.539 1.269 20 30 GDEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1cc2c(cc1Br)OCO2 ZINC000298443683 531889064 /nfs/dbraw/zinc/88/90/64/531889064.db2.gz ZQWAQLFOROAUKK-VIFPVBQESA-N 0 3 390.255 1.783 20 30 GDEDHN O=C(NCC1CCN(Cc2cccs2)CC1)N1CCCS(=O)(=O)CC1 ZINC000329024406 532095307 /nfs/dbraw/zinc/09/53/07/532095307.db2.gz UVKXIVXUURBDID-UHFFFAOYSA-N 0 3 385.555 1.995 20 30 GDEDHN CCN(C1CCN(C(=O)NC[C@@]2(N(C)C)CCSC2)CC1)S(C)(=O)=O ZINC000330033331 532112315 /nfs/dbraw/zinc/11/23/15/532112315.db2.gz ADYDKSXJZMSPEJ-INIZCTEOSA-N 0 3 392.591 1.084 20 30 GDEDHN CN(C)[C@@]1(C[NH+]=C([O-])N2CCn3c(nnc3C(F)(F)F)C2)CCSC1 ZINC000330043351 532113133 /nfs/dbraw/zinc/11/31/33/532113133.db2.gz AFUKJQUIZMHRKZ-CYBMUJFWSA-N 0 3 378.424 1.464 20 30 GDEDHN C#CCN1CCC(C(=O)Nc2ccnn2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735375002 598808151 /nfs/dbraw/zinc/80/81/51/598808151.db2.gz RDKJTNDDAXVZSK-UHFFFAOYSA-N 0 3 376.424 1.336 20 30 GDEDHN CN(C)CCn1cc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1=O ZINC000535136856 650242418 /nfs/dbraw/zinc/24/24/18/650242418.db2.gz FFWRPKDYNXXCOU-UHFFFAOYSA-N 0 3 380.857 1.736 20 30 GDEDHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000555969224 650697929 /nfs/dbraw/zinc/69/79/29/650697929.db2.gz GWPGUFMZGDJXON-LLVKDONJSA-N 0 3 379.258 1.717 20 30 GDEDHN Cn1c(SCC(=O)C(C#N)C(=O)N2CCCC2)nnc1-c1cccs1 ZINC000170672236 644870831 /nfs/dbraw/zinc/87/08/31/644870831.db2.gz BSYQUBUOMQBEDP-NSHDSACASA-N 0 3 375.479 1.967 20 30 GDEDHN O=C(NCCNCc1cc2c(c(Br)c1)OCO2)C1N=CC=CC1=O ZINC000264970513 645158448 /nfs/dbraw/zinc/15/84/48/645158448.db2.gz QOQJBFUTUYNLLX-PEZBUJJGSA-N 0 3 394.225 1.794 20 30 GDEDHN C=CCNC(=O)C(C#N)C(=O)COc1ccc(I)cc1 ZINC000916920503 660203400 /nfs/dbraw/zinc/20/34/00/660203400.db2.gz LGMHBKZLVHCAAA-GFCCVEGCSA-N 0 3 384.173 1.681 20 30 GDEDHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CCSC1 ZINC000453683470 647327548 /nfs/dbraw/zinc/32/75/48/647327548.db2.gz AJRUSVGMKGHZOC-QGZVFWFLSA-N 0 3 380.901 1.898 20 30 GDEDHN CN1CCC[C@H]1CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592763501 652202999 /nfs/dbraw/zinc/20/29/99/652202999.db2.gz KCVITZSUBCXGCX-HNNXBMFYSA-N 0 3 377.286 1.967 20 30 GDEDHN N#Cc1c(Br)cccc1OCC(=O)N[C@@H](CO)CN1CCCC1 ZINC000603053902 652674092 /nfs/dbraw/zinc/67/40/92/652674092.db2.gz UHVIFYRTLCRPBL-GFCCVEGCSA-N 0 3 382.258 1.272 20 30 GDEDHN C[C@H](Oc1cccc(Cl)c1)C(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000732909513 654493062 /nfs/dbraw/zinc/49/30/62/654493062.db2.gz BTJKVZUQQCHOBF-SMDDNHRTSA-N 0 3 384.841 1.073 20 30 GDEDHN C[C@@H](Oc1cccc(Cl)c1)C(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000732909510 654493098 /nfs/dbraw/zinc/49/30/98/654493098.db2.gz BTJKVZUQQCHOBF-BXUZGUMPSA-N 0 3 384.841 1.073 20 30 GDEDHN C[C@@H]1[C@H](C)S(=O)(=O)CCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000736321716 654591704 /nfs/dbraw/zinc/59/17/04/654591704.db2.gz ASVYBVPGVWDPMJ-AGIUHOORSA-N 0 3 377.491 1.980 20 30 GDEDHN CS(=O)(=O)CCN(CC(=O)C(C#N)c1nc2ccccc2s1)C1CC1 ZINC000753245279 654945439 /nfs/dbraw/zinc/94/54/39/654945439.db2.gz IAWWDHHIKFCCNZ-ZDUSSCGKSA-N 0 3 377.491 1.982 20 30 GDEDHN C#CCN(C)CCCNS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000815082884 655286247 /nfs/dbraw/zinc/28/62/47/655286247.db2.gz ICZJYUQDCUXSHF-UHFFFAOYSA-N 0 3 387.889 1.540 20 30 GDEDHN C#CCN(C)CCCNC(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000818584406 655376810 /nfs/dbraw/zinc/37/68/10/655376810.db2.gz LZZUHSUSBKUXPK-INIZCTEOSA-N 0 3 379.913 1.926 20 30 GDEDHN N#Cc1ccc(OCC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1Br ZINC000825517157 655490375 /nfs/dbraw/zinc/49/03/75/655490375.db2.gz NYIKWBYDNMPUBY-DZGCQCFKSA-N 0 3 394.269 1.679 20 30 GDEDHN CS(=O)(=O)N1CCC[C@H](C(=O)C(C#N)C(=O)Nc2ccccc2Cl)C1 ZINC000860468052 655801201 /nfs/dbraw/zinc/80/12/01/655801201.db2.gz AEWKJGKYSWJGGN-RYUDHWBXSA-N 0 3 383.857 1.659 20 30 GDEDHN C#CCN(C)CCCNC(=O)c1cnn(C(C)C)c1I ZINC000868581187 656161511 /nfs/dbraw/zinc/16/15/11/656161511.db2.gz DBBXXQDNMMSQTC-UHFFFAOYSA-N 0 3 388.253 1.754 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(C(C)=O)ccc1Br ZINC000873895727 656427188 /nfs/dbraw/zinc/42/71/88/656427188.db2.gz BCMCLZWJOKIBIQ-UHFFFAOYSA-N 0 3 394.269 1.662 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000876645211 656621117 /nfs/dbraw/zinc/62/11/17/656621117.db2.gz HNYDXDOQONXDNH-UKRRQHHQSA-N 0 3 389.880 1.565 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000876959939 656642406 /nfs/dbraw/zinc/64/24/06/656642406.db2.gz ZEWDFZJMNGLUSJ-JTQLQIEISA-N 0 3 375.654 1.160 20 30 GDEDHN C#CCN(C(=O)C(=O)NCc1sccc1Br)C1CCN(C)CC1 ZINC000929863590 656988605 /nfs/dbraw/zinc/98/86/05/656988605.db2.gz UZFFFSUIMMMTKX-UHFFFAOYSA-N 0 3 398.326 1.683 20 30 GDEDHN N#Cc1nc(NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)ccc1Br ZINC000932158591 657153938 /nfs/dbraw/zinc/15/39/38/657153938.db2.gz LSMFUTKMNXVLEH-UONOGXRCSA-N 0 3 394.273 1.779 20 30 GDEDHN C#CC[C@H](CO)NCc1cc(I)c(OC)c(OC)c1 ZINC000883123636 657273833 /nfs/dbraw/zinc/27/38/33/657273833.db2.gz FQNTWMBLNKLDIQ-LLVKDONJSA-N 0 3 375.206 1.782 20 30 GDEDHN C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@]2(C)CN3CCC2CC3)s1 ZINC000912375024 660034276 /nfs/dbraw/zinc/03/42/76/660034276.db2.gz GKWQCXRNCQYXOT-QGZVFWFLSA-N 0 3 383.539 1.355 20 30 GDEDHN CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001571298201 946209694 /nfs/dbraw/zinc/20/96/94/946209694.db2.gz CCOLVNXMHICUTM-FUHWJXTLSA-N 0 3 390.451 1.849 20 30 GDEDHN CC[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001571298201 946209701 /nfs/dbraw/zinc/20/97/01/946209701.db2.gz CCOLVNXMHICUTM-FUHWJXTLSA-N 0 3 390.451 1.849 20 30 GDEDHN C#Cc1ccc(C(=O)NCCC[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)nc1 ZINC001573288116 946858976 /nfs/dbraw/zinc/85/89/76/946858976.db2.gz NTYVYBSMBHCPSQ-UHFFFAOYSA-N 0 3 379.399 1.292 20 30 GDEDHN C#Cc1ccc(C(=O)NCCC[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)nc1 ZINC001573288116 946858990 /nfs/dbraw/zinc/85/89/90/946858990.db2.gz NTYVYBSMBHCPSQ-UHFFFAOYSA-N 0 3 379.399 1.292 20 30 GDEDHN C#Cc1cncc(C(=O)N2CCC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC001573291524 946919453 /nfs/dbraw/zinc/91/94/53/946919453.db2.gz FENDIQTVEPDUIF-IBGZPJMESA-N 0 3 387.447 1.637 20 30 GDEDHN C#Cc1cncc(C(=O)N2CCC[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC001573291524 946919460 /nfs/dbraw/zinc/91/94/60/946919460.db2.gz FENDIQTVEPDUIF-IBGZPJMESA-N 0 3 387.447 1.637 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001573563709 946985674 /nfs/dbraw/zinc/98/56/74/946985674.db2.gz CIESTQOPQXSBDP-STQMWFEESA-N 0 3 385.447 1.882 20 30 GDEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573294345 946985844 /nfs/dbraw/zinc/98/58/44/946985844.db2.gz CPJCTIYXCIDMNA-FHWLQOOXSA-N 0 3 396.495 1.929 20 30 GDEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573294345 946985851 /nfs/dbraw/zinc/98/58/51/946985851.db2.gz CPJCTIYXCIDMNA-FHWLQOOXSA-N 0 3 396.495 1.929 20 30 GDEDHN C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21 ZINC001573294799 946998835 /nfs/dbraw/zinc/99/88/35/946998835.db2.gz HHHJINXMZBWAEW-JHJVBQTASA-N 0 3 375.864 1.778 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573309133 947190691 /nfs/dbraw/zinc/19/06/91/947190691.db2.gz CXGDNYQTMAYBIH-YWZLYKJASA-N 0 3 384.484 1.474 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573309133 947190695 /nfs/dbraw/zinc/19/06/95/947190695.db2.gz CXGDNYQTMAYBIH-YWZLYKJASA-N 0 3 384.484 1.474 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573309133 947190707 /nfs/dbraw/zinc/19/07/07/947190707.db2.gz CXGDNYQTMAYBIH-YWZLYKJASA-N 0 3 384.484 1.474 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573309133 947190713 /nfs/dbraw/zinc/19/07/13/947190713.db2.gz CXGDNYQTMAYBIH-YWZLYKJASA-N 0 3 384.484 1.474 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573309220 947194665 /nfs/dbraw/zinc/19/46/65/947194665.db2.gz FDFVKMIFRYVTKH-XIKOKIGWSA-N 0 3 376.436 1.269 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573309220 947194674 /nfs/dbraw/zinc/19/46/74/947194674.db2.gz FDFVKMIFRYVTKH-XIKOKIGWSA-N 0 3 376.436 1.269 20 30 GDEDHN C=C[C@@](C)(CCOC)C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573309632 947204515 /nfs/dbraw/zinc/20/45/15/947204515.db2.gz LVAMXCUZZMYJEN-UZLBHIALSA-N 0 3 384.484 1.786 20 30 GDEDHN C=C[C@@](C)(CCOC)C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573309632 947204524 /nfs/dbraw/zinc/20/45/24/947204524.db2.gz LVAMXCUZZMYJEN-UZLBHIALSA-N 0 3 384.484 1.786 20 30 GDEDHN C=C[C@H](CC)CC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573316141 947268146 /nfs/dbraw/zinc/26/81/46/947268146.db2.gz SAYUXNIAIRRDKT-QAPCUYQASA-N 0 3 384.484 1.786 20 30 GDEDHN C=CCOCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573343410 947558216 /nfs/dbraw/zinc/55/82/16/947558216.db2.gz OZICZIGWDYJUFQ-SJLPKXTDSA-N 0 3 384.484 1.834 20 30 GDEDHN C=CCOCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573343410 947558222 /nfs/dbraw/zinc/55/82/22/947558222.db2.gz OZICZIGWDYJUFQ-SJLPKXTDSA-N 0 3 384.484 1.834 20 30 GDEDHN C=CCOCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573344032 947567388 /nfs/dbraw/zinc/56/73/88/947567388.db2.gz WXFOUYJMCVSVKC-ROUUACIJSA-N 0 3 382.468 1.635 20 30 GDEDHN C=CCOCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573344032 947567398 /nfs/dbraw/zinc/56/73/98/947567398.db2.gz WXFOUYJMCVSVKC-ROUUACIJSA-N 0 3 382.468 1.635 20 30 GDEDHN C=CCOCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573344032 947567409 /nfs/dbraw/zinc/56/74/09/947567409.db2.gz WXFOUYJMCVSVKC-ROUUACIJSA-N 0 3 382.468 1.635 20 30 GDEDHN C=CCOCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573344032 947567415 /nfs/dbraw/zinc/56/74/15/947567415.db2.gz WXFOUYJMCVSVKC-ROUUACIJSA-N 0 3 382.468 1.635 20 30 GDEDHN C[C@@H](CN(C)C(=O)c1c[nH]c(C#N)c1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574738969 950177489 /nfs/dbraw/zinc/17/74/89/950177489.db2.gz JPMSFFWYNFZQBJ-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@H](CNC(=O)c1c[nH]c(C#N)c1)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574983022 950195541 /nfs/dbraw/zinc/19/55/41/950195541.db2.gz JPEXZRUWGADRHQ-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@H](CNC(=O)c1c[nH]c(C#N)c1)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574983022 950195555 /nfs/dbraw/zinc/19/55/55/950195555.db2.gz JPEXZRUWGADRHQ-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@H](CN(C)C(=O)c1ccc(C#N)[nH]1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574753412 950528173 /nfs/dbraw/zinc/52/81/73/950528173.db2.gz MUYDQJGJHOTVEC-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001576220334 950830107 /nfs/dbraw/zinc/83/01/07/950830107.db2.gz XETPHUADJSUUJK-SUMWQHHRSA-N 0 3 382.443 1.603 20 30 GDEDHN C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001576220334 950830130 /nfs/dbraw/zinc/83/01/30/950830130.db2.gz XETPHUADJSUUJK-SUMWQHHRSA-N 0 3 382.443 1.603 20 30 GDEDHN C[C@H](C[C@H](C)NC(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001574529318 950947522 /nfs/dbraw/zinc/94/75/22/950947522.db2.gz QERCFHJLFLTQOL-OLZOCXBDSA-N 0 3 378.440 1.753 20 30 GDEDHN C[C@H](C[C@H](C)NC(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001574529318 950947534 /nfs/dbraw/zinc/94/75/34/950947534.db2.gz QERCFHJLFLTQOL-OLZOCXBDSA-N 0 3 378.440 1.753 20 30 GDEDHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]Cc1ccc(C#N)cc1F ZINC001575104352 951886642 /nfs/dbraw/zinc/88/66/42/951886642.db2.gz ZVAUJNXLZKOFMP-NSHDSACASA-N 0 3 382.403 1.361 20 30 GDEDHN N#Cc1c[nH]c(C(=O)NCC2CC([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC001571120005 952497730 /nfs/dbraw/zinc/49/77/30/952497730.db2.gz HVACLMSDNKAEKV-UHFFFAOYSA-N 0 3 376.424 1.365 20 30 GDEDHN N#Cc1c[nH]c(C(=O)NCC2CC([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC001571120005 952497735 /nfs/dbraw/zinc/49/77/35/952497735.db2.gz HVACLMSDNKAEKV-UHFFFAOYSA-N 0 3 376.424 1.365 20 30 GDEDHN C[C@H](O)CN1CCC(CN(C)S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000184877534 530833273 /nfs/dbraw/zinc/83/32/73/530833273.db2.gz QKEJZRNLZLDAFR-ZDUSSCGKSA-N 0 3 385.917 1.925 20 30 GDEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1cn2cc(Br)ccc2n1 ZINC000113498102 530890262 /nfs/dbraw/zinc/89/02/62/530890262.db2.gz YZJKKAASPBTMPM-SNVBAGLBSA-N 0 3 386.271 1.702 20 30 GDEDHN COCCN1CCC[C@H]1CNC(=O)COc1ccc(C#N)c(Br)c1 ZINC000449843337 531478894 /nfs/dbraw/zinc/47/88/94/531478894.db2.gz QJSBYTVCTRQTFZ-AWEZNQCLSA-N 0 3 396.285 1.927 20 30 GDEDHN N#Cc1c(Br)cccc1OCC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000450234208 531490016 /nfs/dbraw/zinc/49/00/16/531490016.db2.gz RRRUHIVWMVDTGT-CYBMUJFWSA-N 0 3 396.285 1.663 20 30 GDEDHN CC(C)N1CCC(O)(CNS(=O)(=O)c2ccc(CC#N)cc2Cl)CC1 ZINC000451316529 531590066 /nfs/dbraw/zinc/59/00/66/531590066.db2.gz 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650788146 /nfs/dbraw/zinc/78/81/46/650788146.db2.gz JYAJQUAWRLONSQ-SMDDNHRTSA-N 0 3 386.253 1.617 20 30 GDEDHN N#CC(C(=O)CCNC(=O)c1cc(F)ccc1Br)C(=O)NC1CC1 ZINC000129519155 644734728 /nfs/dbraw/zinc/73/47/28/644734728.db2.gz LTZKNRJLOVRHLV-GFCCVEGCSA-N 0 3 396.216 1.696 20 30 GDEDHN CN(C)c1ncc(Br)cc1C(=O)NCCCN1CCN(C)CC1 ZINC000330718310 645402305 /nfs/dbraw/zinc/40/23/05/645402305.db2.gz AHFRWLPJVFEQIU-UHFFFAOYSA-N 0 3 384.322 1.852 20 30 GDEDHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000421313286 646004399 /nfs/dbraw/zinc/00/43/99/646004399.db2.gz WVHRJBDHVBJSAL-ZDUSSCGKSA-N 0 3 379.258 1.812 20 30 GDEDHN C=CCNC(=O)C(C#N)C(=O)COc1ccc(I)cc1 ZINC000916920506 660203480 /nfs/dbraw/zinc/20/34/80/660203480.db2.gz LGMHBKZLVHCAAA-LBPRGKRZSA-N 0 3 384.173 1.681 20 30 GDEDHN C=C(C)CN1CCC(NC(=O)c2nn(C)cc2I)CC1 ZINC000602846300 652649301 /nfs/dbraw/zinc/64/93/01/652649301.db2.gz FFUGBPUPIOLTNM-UHFFFAOYSA-N 0 3 388.253 1.795 20 30 GDEDHN C#CCN(C)CCCNC(=O)NCC(=O)Nc1ccc(Br)cc1 ZINC000836487741 655145643 /nfs/dbraw/zinc/14/56/43/655145643.db2.gz JNURZTFYUVUZTC-UHFFFAOYSA-N 0 3 381.274 1.642 20 30 GDEDHN CS(=O)(=O)C[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000795099279 655160888 /nfs/dbraw/zinc/16/08/88/655160888.db2.gz MIOMMDFQUXXCDP-OLZOCXBDSA-N 0 3 377.491 1.839 20 30 GDEDHN C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CCS(=O)(=O)C1 ZINC000763898871 655204424 /nfs/dbraw/zinc/20/44/24/655204424.db2.gz BUYLMLNXBVUHSJ-CHWSQXEVSA-N 0 3 377.491 1.839 20 30 GDEDHN C#CCNC(=O)CCN[C@](C)(CC(=O)OC)c1ccc(Br)cc1 ZINC000815118127 655288159 /nfs/dbraw/zinc/28/81/59/655288159.db2.gz SBWMOSLMSSUJGT-QGZVFWFLSA-N 0 3 381.270 1.957 20 30 GDEDHN C=CCS(=O)(=O)CCNC[C@@H](O)COc1ccc(Br)cc1 ZINC000819223365 655388382 /nfs/dbraw/zinc/38/83/82/655388382.db2.gz ZNMFCIJKCXULKT-CYBMUJFWSA-N 0 3 378.288 1.379 20 30 GDEDHN C#C[C@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)c1ccc(Br)cc1 ZINC000820611195 655412729 /nfs/dbraw/zinc/41/27/29/655412729.db2.gz HXEUNVYYVAQDCZ-XHSDSOJGSA-N 0 3 378.270 1.584 20 30 GDEDHN C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@@H]2CCN(C3CC3)C2)s1 ZINC000874457534 656471376 /nfs/dbraw/zinc/47/13/76/656471376.db2.gz PDNSUZWGFNWFBO-CQSZACIVSA-N 0 3 383.539 1.450 20 30 GDEDHN C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@@H]2CN3CCC2CC3)s1 ZINC000874456310 656471427 /nfs/dbraw/zinc/47/14/27/656471427.db2.gz KZUZLSPFEMDSAI-OAHLLOKOSA-N 0 3 383.539 1.308 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000876564912 656614728 /nfs/dbraw/zinc/61/47/28/656614728.db2.gz XGQBDSFTTOYSCQ-ZDUSSCGKSA-N 0 3 393.843 1.268 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000876894919 656637581 /nfs/dbraw/zinc/63/75/81/656637581.db2.gz YUKQEZLFTBLYCB-STQMWFEESA-N 0 3 386.677 1.919 20 30 GDEDHN C#CCN(C(=O)c1cncc(I)c1)C1CCN(C)CC1 ZINC000886580031 657676884 /nfs/dbraw/zinc/67/68/84/657676884.db2.gz SEYQLIGLGJZEMB-UHFFFAOYSA-N 0 3 383.233 1.856 20 30 GDEDHN N#Cc1ccc(S(=O)(=O)CCNCC[C@H]2CC[C@@H](C(F)(F)F)O2)nc1 ZINC000905556194 659464287 /nfs/dbraw/zinc/46/42/87/659464287.db2.gz LMAIEBRBEZMJIO-OLZOCXBDSA-N 0 3 377.388 1.817 20 30 GDEDHN CN(C)CC#CCNC(=O)c1sccc1S(=O)(=O)NCc1cccs1 ZINC000913518019 660084955 /nfs/dbraw/zinc/08/49/55/660084955.db2.gz ZUZGTHONHPABCQ-UHFFFAOYSA-N 0 3 397.547 1.583 20 30 GDEDHN CCOc1cc(C=NNC(=N)N)cc(Br)c1OCC(=O)N(C)C ZINC000915051084 660159844 /nfs/dbraw/zinc/15/98/44/660159844.db2.gz UFLKZHSBWDBBJU-UHFFFAOYSA-N 0 3 386.250 1.132 20 30 GDEDHN C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736767496 944886303 /nfs/dbraw/zinc/88/63/03/944886303.db2.gz QPXTZCGRIMPZRZ-UHFFFAOYSA-N 0 3 376.424 1.337 20 30 GDEDHN C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736767496 944886309 /nfs/dbraw/zinc/88/63/09/944886309.db2.gz QPXTZCGRIMPZRZ-UHFFFAOYSA-N 0 3 376.424 1.337 20 30 GDEDHN C#CCN(C)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001573282323 946690971 /nfs/dbraw/zinc/69/09/71/946690971.db2.gz IFUYZXZMLUSHNG-KRWDZBQOSA-N 0 3 391.483 1.535 20 30 GDEDHN C#CCN(C)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1C[C@@H](C1CC1)[NH+](C)C ZINC001573282323 946690976 /nfs/dbraw/zinc/69/09/76/946690976.db2.gz IFUYZXZMLUSHNG-KRWDZBQOSA-N 0 3 391.483 1.535 20 30 GDEDHN C#CCOCCC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573287421 946835786 /nfs/dbraw/zinc/83/57/86/946835786.db2.gz NIUOOTJXDCYTOM-KRWDZBQOSA-N 0 3 382.468 1.329 20 30 GDEDHN C#CCOCCC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573287421 946835800 /nfs/dbraw/zinc/83/58/00/946835800.db2.gz NIUOOTJXDCYTOM-KRWDZBQOSA-N 0 3 382.468 1.329 20 30 GDEDHN C#CCOCCC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573287421 946835804 /nfs/dbraw/zinc/83/58/04/946835804.db2.gz NIUOOTJXDCYTOM-KRWDZBQOSA-N 0 3 382.468 1.329 20 30 GDEDHN C#CCOCCC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573287421 946835809 /nfs/dbraw/zinc/83/58/09/946835809.db2.gz NIUOOTJXDCYTOM-KRWDZBQOSA-N 0 3 382.468 1.329 20 30 GDEDHN C#CCO[C@H](C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573287640 946843826 /nfs/dbraw/zinc/84/38/26/946843826.db2.gz ORQJTBPBFKGKGS-ZIAGYGMSSA-N 0 3 388.447 1.371 20 30 GDEDHN C#CCO[C@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573287640 946843834 /nfs/dbraw/zinc/84/38/34/946843834.db2.gz ORQJTBPBFKGKGS-ZIAGYGMSSA-N 0 3 388.447 1.371 20 30 GDEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573292932 946943075 /nfs/dbraw/zinc/94/30/75/946943075.db2.gz HJZAPKJAIHMTLJ-ZDUSSCGKSA-N 0 3 376.436 1.175 20 30 GDEDHN C=C(C)C(C)(C)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573292932 946943079 /nfs/dbraw/zinc/94/30/79/946943079.db2.gz HJZAPKJAIHMTLJ-ZDUSSCGKSA-N 0 3 376.436 1.175 20 30 GDEDHN C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1C(F)(F)F ZINC001573294258 946982633 /nfs/dbraw/zinc/98/26/33/946982633.db2.gz ZXRPSUJOIWXISO-RYUDHWBXSA-N 0 3 383.378 1.611 20 30 GDEDHN C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1C(F)(F)F ZINC001573294258 946982643 /nfs/dbraw/zinc/98/26/43/946982643.db2.gz ZXRPSUJOIWXISO-RYUDHWBXSA-N 0 3 383.378 1.611 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC(CC[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573563501 946983170 /nfs/dbraw/zinc/98/31/70/946983170.db2.gz ADXOTQQQMCXEPL-ZDUSSCGKSA-N 0 3 385.447 1.884 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC(CC[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001573563501 946983177 /nfs/dbraw/zinc/98/31/77/946983177.db2.gz ADXOTQQQMCXEPL-ZDUSSCGKSA-N 0 3 385.447 1.884 20 30 GDEDHN C[C@H](C#N)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)C1 ZINC001573567919 947058645 /nfs/dbraw/zinc/05/86/45/947058645.db2.gz UXOJCUCNOPSQTD-YJYMSZOUSA-N 0 3 383.431 1.590 20 30 GDEDHN C[C@H](C#N)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)C1 ZINC001573567919 947058655 /nfs/dbraw/zinc/05/86/55/947058655.db2.gz UXOJCUCNOPSQTD-YJYMSZOUSA-N 0 3 383.431 1.590 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC[C@@]2(CC[N@H+](Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001573568096 947066108 /nfs/dbraw/zinc/06/61/08/947066108.db2.gz XRTIIELDNHNGCD-QRWLVFNGSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC[C@@]2(CC[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001573568096 947066121 /nfs/dbraw/zinc/06/61/21/947066121.db2.gz XRTIIELDNHNGCD-QRWLVFNGSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@H](C#N)C(=O)N[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C1CCCC1 ZINC001573571720 947101490 /nfs/dbraw/zinc/10/14/90/947101490.db2.gz AGAQYYMJPNNYTC-SJKOYZFVSA-N 0 3 385.447 1.930 20 30 GDEDHN C[C@@H](C#N)C(=O)N[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C1CCCC1 ZINC001573571721 947102581 /nfs/dbraw/zinc/10/25/81/947102581.db2.gz AGAQYYMJPNNYTC-YVEFUNNKSA-N 0 3 385.447 1.930 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N[C@@H](C)CC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573309397 947198878 /nfs/dbraw/zinc/19/88/78/947198878.db2.gz IJQPRHWLKVFPEN-KPZWWZAWSA-N 0 3 376.436 1.317 20 30 GDEDHN C=CCCOCC(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573336176 947503153 /nfs/dbraw/zinc/50/31/53/947503153.db2.gz KIFPNZNOJCMCIB-MRXNPFEDSA-N 0 3 388.447 1.679 20 30 GDEDHN C=CCCOCC(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573336176 947503166 /nfs/dbraw/zinc/50/31/66/947503166.db2.gz KIFPNZNOJCMCIB-MRXNPFEDSA-N 0 3 388.447 1.679 20 30 GDEDHN C=CCCO[C@@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573336601 947507790 /nfs/dbraw/zinc/50/77/90/947507790.db2.gz POJUBBKJCSNKAU-RDJZCZTQSA-N 0 3 384.484 1.929 20 30 GDEDHN C=CCCO[C@@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573336601 947507797 /nfs/dbraw/zinc/50/77/97/947507797.db2.gz POJUBBKJCSNKAU-RDJZCZTQSA-N 0 3 384.484 1.929 20 30 GDEDHN C=CCOCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573343623 947561914 /nfs/dbraw/zinc/56/19/14/947561914.db2.gz RCWRTDQKROOFAA-DOTOQJQBSA-N 0 3 388.447 1.583 20 30 GDEDHN C=CCOCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573343623 947561926 /nfs/dbraw/zinc/56/19/26/947561926.db2.gz RCWRTDQKROOFAA-DOTOQJQBSA-N 0 3 388.447 1.583 20 30 GDEDHN C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575908372 950363127 /nfs/dbraw/zinc/36/31/27/950363127.db2.gz BJUDYJTYAQQRTI-WBMJQRKESA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575908372 950363147 /nfs/dbraw/zinc/36/31/47/950363147.db2.gz BJUDYJTYAQQRTI-WBMJQRKESA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574527539 950891098 /nfs/dbraw/zinc/89/10/98/950891098.db2.gz DADCZHLZSKNHGX-WDEREUQCSA-N 0 3 384.469 1.815 20 30 GDEDHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(C#N)s1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574527539 950891114 /nfs/dbraw/zinc/89/11/14/950891114.db2.gz DADCZHLZSKNHGX-WDEREUQCSA-N 0 3 384.469 1.815 20 30 GDEDHN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)c1ccc(C#N)[nH]1 ZINC001575078148 951678262 /nfs/dbraw/zinc/67/82/62/951678262.db2.gz JHZRDSALSFNASN-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575104237 951883129 /nfs/dbraw/zinc/88/31/29/951883129.db2.gz YLGVCYQZTLILAT-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575104237 951883137 /nfs/dbraw/zinc/88/31/37/951883137.db2.gz YLGVCYQZTLILAT-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN C=CCN1CCC(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000171727487 530602764 /nfs/dbraw/zinc/60/27/64/530602764.db2.gz DTZQMFIENGRYOL-UHFFFAOYSA-N 0 3 391.946 1.789 20 30 GDEDHN CN(C)CCN1C[C@@H](C(=O)N[C@H](C#N)c2cccc(Br)c2)CC1=O ZINC000174432152 530647867 /nfs/dbraw/zinc/64/78/67/530647867.db2.gz CTNXCHUEDGZTIG-DZGCQCFKSA-N 0 3 393.285 1.540 20 30 GDEDHN CN(C)CCn1ccc(NC(=O)COc2ccc(C#N)c(Br)c2)n1 ZINC000449822840 531477616 /nfs/dbraw/zinc/47/76/16/531477616.db2.gz XKYJWEKSNLCRHC-UHFFFAOYSA-N 0 3 392.257 2.096 20 30 GDEDHN N#Cc1ccc(OCC(=O)NC[C@H](O)CN2CCCCC2)cc1Br ZINC000450232730 531490248 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ZINC000299639826 532014011 /nfs/dbraw/zinc/01/40/11/532014011.db2.gz UCFVFZXEQUJRJM-UHFFFAOYSA-N 0 3 392.297 1.640 20 30 GDEDHN CS(=O)(=O)CC1CCC(NCCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000576936492 532030746 /nfs/dbraw/zinc/03/07/46/532030746.db2.gz IINJRFLPYUWJHS-UHFFFAOYSA-N 0 3 384.523 1.525 20 30 GDEDHN C=CCS(=O)(=O)CCN[C@@H](C)C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000375077266 532146922 /nfs/dbraw/zinc/14/69/22/532146922.db2.gz ACEBJMSVRKEGAK-LSDHHAIUSA-N 0 3 376.519 1.591 20 30 GDEDHN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1C#N ZINC000826073212 608020254 /nfs/dbraw/zinc/02/02/54/608020254.db2.gz JTPLDGQHQNXLOC-NSHDSACASA-N 0 3 395.427 1.019 20 30 GDEDHN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1C#N ZINC000826073212 608020255 /nfs/dbraw/zinc/02/02/55/608020255.db2.gz JTPLDGQHQNXLOC-NSHDSACASA-N 0 3 395.427 1.019 20 30 GDEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)N1CCCC1 ZINC000550606806 650595564 /nfs/dbraw/zinc/59/55/64/650595564.db2.gz ZCVYPUMFPXECMR-LLVKDONJSA-N 0 3 379.258 1.860 20 30 GDEDHN N#CC(C(=O)CCNC(=O)c1ccc(Br)cc1)C(=O)NC1CC1 ZINC000129389451 644734173 /nfs/dbraw/zinc/73/41/73/644734173.db2.gz TUDWBMMIMGEOQR-ZDUSSCGKSA-N 0 3 378.226 1.556 20 30 GDEDHN CCN1CCN(C[C@H](C)CNS(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000443249610 647194473 /nfs/dbraw/zinc/19/44/73/647194473.db2.gz OQLMNYQGTUWXCP-CQSZACIVSA-N 0 3 384.933 1.764 20 30 GDEDHN CN1CCC[C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 ZINC000592759336 652202618 /nfs/dbraw/zinc/20/26/18/652202618.db2.gz XFXOTDLDNFIFRF-HNNXBMFYSA-N 0 3 377.286 1.967 20 30 GDEDHN CCS(=O)(=O)C=C(C)NN=c1ccc(S(=O)(=O)N2CCCCC2)c[nH]1 ZINC000733745059 654521456 /nfs/dbraw/zinc/52/14/56/654521456.db2.gz ZAOLWWLIVQOGLK-UHFFFAOYSA-N 0 3 388.515 1.479 20 30 GDEDHN C#CCN1CCC(C(=O)NC[C@@H](SCC(=O)OCC)C(F)(F)F)CC1 ZINC000828517956 654871523 /nfs/dbraw/zinc/87/15/23/654871523.db2.gz GXLUEEQWHPJFDP-CYBMUJFWSA-N 0 3 380.432 1.675 20 30 GDEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(Br)nc2OC)CC1 ZINC000789569528 655025854 /nfs/dbraw/zinc/02/58/54/655025854.db2.gz IZTGREFIFMLOKS-UHFFFAOYSA-N 0 3 397.273 1.558 20 30 GDEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CCN(C)S2(=O)=O)cc1Cl ZINC000842689807 655371264 /nfs/dbraw/zinc/37/12/64/655371264.db2.gz GBKYYANLUYTPLO-GWCFXTLKSA-N 0 3 385.829 1.030 20 30 GDEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCN(C)S2(=O)=O)cc1Cl ZINC000842689810 655371267 /nfs/dbraw/zinc/37/12/67/655371267.db2.gz GBKYYANLUYTPLO-ZWNOBZJWSA-N 0 3 385.829 1.030 20 30 GDEDHN N#Cc1ccc(Br)c(CN[C@@H]2CCN(CCN3CCOCC3)C2)c1 ZINC000921747481 656405522 /nfs/dbraw/zinc/40/55/22/656405522.db2.gz PEVVMYGJXJKBBY-QGZVFWFLSA-N 0 3 393.329 1.817 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000876645212 656621653 /nfs/dbraw/zinc/62/16/53/656621653.db2.gz HNYDXDOQONXDNH-ZFWWWQNUSA-N 0 3 389.880 1.565 20 30 GDEDHN N#CCCC[C@@H](N)C(=O)N1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC000877123629 656654731 /nfs/dbraw/zinc/65/47/31/656654731.db2.gz MWNBKWZNQIPSHJ-OAHLLOKOSA-N 0 3 393.285 1.641 20 30 GDEDHN C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@]2(C)CN3CCC2CC3)s1 ZINC000912375019 660034354 /nfs/dbraw/zinc/03/43/54/660034354.db2.gz GKWQCXRNCQYXOT-KRWDZBQOSA-N 0 3 383.539 1.355 20 30 GDEDHN CCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)Cc1csc(C#N)c1 ZINC000914030643 660111699 /nfs/dbraw/zinc/11/16/99/660111699.db2.gz CFKKNZOKBGUOIE-INIZCTEOSA-N 0 3 384.571 1.797 20 30 GDEDHN C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)nc1 ZINC001573290519 946905358 /nfs/dbraw/zinc/90/53/58/946905358.db2.gz YJRAPLMVOGAQQL-KUHUBIRLSA-N 0 3 387.447 1.493 20 30 GDEDHN C#Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)nc1 ZINC001573290519 946905365 /nfs/dbraw/zinc/90/53/65/946905365.db2.gz YJRAPLMVOGAQQL-KUHUBIRLSA-N 0 3 387.447 1.493 20 30 GDEDHN C=C(Br)CN[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC1 ZINC001573292589 946935412 /nfs/dbraw/zinc/93/54/12/946935412.db2.gz YJCJSXAXBLXTSF-LBPRGKRZSA-N 0 3 380.250 1.201 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC2(CC[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)CC1 ZINC001573567447 947043718 /nfs/dbraw/zinc/04/37/18/947043718.db2.gz NEWCWMMVKCDHOQ-OAHLLOKOSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC2(CC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)CC1 ZINC001573567447 947043726 /nfs/dbraw/zinc/04/37/26/947043726.db2.gz NEWCWMMVKCDHOQ-OAHLLOKOSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC2(CC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)C2)CC1 ZINC001573567447 947043739 /nfs/dbraw/zinc/04/37/39/947043739.db2.gz NEWCWMMVKCDHOQ-OAHLLOKOSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC2(CC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)C2)CC1 ZINC001573567447 947043748 /nfs/dbraw/zinc/04/37/48/947043748.db2.gz NEWCWMMVKCDHOQ-OAHLLOKOSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@H](C#N)C(=O)NCC[C@@H]1C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2F)C[C@H]1C ZINC001573583472 947205761 /nfs/dbraw/zinc/20/57/61/947205761.db2.gz MMCDHUJVTPJDJC-UMVBOHGHSA-N 0 3 385.447 1.740 20 30 GDEDHN C[C@H](C#N)C(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2F)C[C@H]1C ZINC001573583472 947205772 /nfs/dbraw/zinc/20/57/72/947205772.db2.gz MMCDHUJVTPJDJC-UMVBOHGHSA-N 0 3 385.447 1.740 20 30 GDEDHN C[C@H](C#N)C(=O)NCC[C@@H]1C[N@H+](Cc2ccc(-c3nn[n-]n3)cc2F)C[C@H]1C ZINC001573583472 947205783 /nfs/dbraw/zinc/20/57/83/947205783.db2.gz MMCDHUJVTPJDJC-UMVBOHGHSA-N 0 3 385.447 1.740 20 30 GDEDHN C[C@H](C#N)C(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2F)C[C@H]1C ZINC001573583472 947205792 /nfs/dbraw/zinc/20/57/92/947205792.db2.gz MMCDHUJVTPJDJC-UMVBOHGHSA-N 0 3 385.447 1.740 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573309996 947213128 /nfs/dbraw/zinc/21/31/28/947213128.db2.gz QUSPIRXGOPGPIG-OXQOHEQNSA-N 0 3 384.484 1.617 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573309996 947213137 /nfs/dbraw/zinc/21/31/37/947213137.db2.gz QUSPIRXGOPGPIG-OXQOHEQNSA-N 0 3 384.484 1.617 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573309996 947213145 /nfs/dbraw/zinc/21/31/45/947213145.db2.gz QUSPIRXGOPGPIG-OXQOHEQNSA-N 0 3 384.484 1.617 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573309996 947213151 /nfs/dbraw/zinc/21/31/51/947213151.db2.gz QUSPIRXGOPGPIG-OXQOHEQNSA-N 0 3 384.484 1.617 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573310642 947226422 /nfs/dbraw/zinc/22/64/22/947226422.db2.gz YRMHRHVIYHHQPM-KUHUBIRLSA-N 0 3 388.447 1.414 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573310642 947226430 /nfs/dbraw/zinc/22/64/30/947226430.db2.gz YRMHRHVIYHHQPM-KUHUBIRLSA-N 0 3 388.447 1.414 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)NCC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573310851 947229635 /nfs/dbraw/zinc/22/96/35/947229635.db2.gz ZYSDIPSHKUZJDJ-KZULUSFZSA-N 0 3 376.436 1.317 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)NCC[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573310851 947229643 /nfs/dbraw/zinc/22/96/43/947229643.db2.gz ZYSDIPSHKUZJDJ-KZULUSFZSA-N 0 3 376.436 1.317 20 30 GDEDHN C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC001573586054 947274545 /nfs/dbraw/zinc/27/45/45/947274545.db2.gz YLXQGOSMVUCPDN-JNAXZKDPSA-N 0 3 379.468 1.887 20 30 GDEDHN C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cccc(-c3nnn[n-]3)c1)CC2 ZINC001573586054 947274556 /nfs/dbraw/zinc/27/45/56/947274556.db2.gz YLXQGOSMVUCPDN-JNAXZKDPSA-N 0 3 379.468 1.887 20 30 GDEDHN C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC001573586054 947274565 /nfs/dbraw/zinc/27/45/65/947274565.db2.gz YLXQGOSMVUCPDN-JNAXZKDPSA-N 0 3 379.468 1.887 20 30 GDEDHN C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cccc(-c3nn[n-]n3)c1)CC2 ZINC001573586054 947274578 /nfs/dbraw/zinc/27/45/78/947274578.db2.gz YLXQGOSMVUCPDN-JNAXZKDPSA-N 0 3 379.468 1.887 20 30 GDEDHN C=CCCOCC(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573336045 947498749 /nfs/dbraw/zinc/49/87/49/947498749.db2.gz HKJIVNONZJPCFD-KRWDZBQOSA-N 0 3 376.486 1.602 20 30 GDEDHN C=CCCOCC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573336045 947498755 /nfs/dbraw/zinc/49/87/55/947498755.db2.gz HKJIVNONZJPCFD-KRWDZBQOSA-N 0 3 376.486 1.602 20 30 GDEDHN C=CCOCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573343626 947562639 /nfs/dbraw/zinc/56/26/39/947562639.db2.gz RCWRTDQKROOFAA-WBVHZDCISA-N 0 3 388.447 1.583 20 30 GDEDHN C=CCOCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573343626 947562644 /nfs/dbraw/zinc/56/26/44/947562644.db2.gz RCWRTDQKROOFAA-WBVHZDCISA-N 0 3 388.447 1.583 20 30 GDEDHN C=CCOCC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573344165 947569154 /nfs/dbraw/zinc/56/91/54/947569154.db2.gz XRNSTVMOPDLQGP-QAPCUYQASA-N 0 3 384.484 1.786 20 30 GDEDHN C=CCOCC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573344165 947569163 /nfs/dbraw/zinc/56/91/63/947569163.db2.gz XRNSTVMOPDLQGP-QAPCUYQASA-N 0 3 384.484 1.786 20 30 GDEDHN C[C@H](NC(=O)C#CC1CC1)[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001575248098 949058589 /nfs/dbraw/zinc/05/85/89/949058589.db2.gz NIZHPLOLRMIFTP-HNAYVOBHSA-N 0 3 378.480 1.997 20 30 GDEDHN C[C@H](NC(=O)C#CC1CC1)[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575248098 949058626 /nfs/dbraw/zinc/05/86/26/949058626.db2.gz NIZHPLOLRMIFTP-HNAYVOBHSA-N 0 3 378.480 1.997 20 30 GDEDHN C[C@H](NC(=O)C#CC1CC1)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001575248098 949058607 /nfs/dbraw/zinc/05/86/07/949058607.db2.gz NIZHPLOLRMIFTP-HNAYVOBHSA-N 0 3 378.480 1.997 20 30 GDEDHN C[C@H](NC(=O)C#CC1CC1)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575248098 949058644 /nfs/dbraw/zinc/05/86/44/949058644.db2.gz NIZHPLOLRMIFTP-HNAYVOBHSA-N 0 3 378.480 1.997 20 30 GDEDHN C#CCOc1ccc(Br)cc1CNCCC(=O)N1CCOCC1 ZINC000048786447 530670921 /nfs/dbraw/zinc/67/09/21/530670921.db2.gz LTBVSWYJOUAAJS-UHFFFAOYSA-N 0 3 381.270 1.800 20 30 GDEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cccnc2Br)CC1 ZINC000179668972 530746874 /nfs/dbraw/zinc/74/68/74/530746874.db2.gz XRBOXRBIEXKFRU-UHFFFAOYSA-N 0 3 381.274 1.939 20 30 GDEDHN CN(CCN(C)S(=O)(=O)c1cccc(Cl)c1C#N)C1CCN(C)CC1 ZINC000181061910 530777714 /nfs/dbraw/zinc/77/77/14/530777714.db2.gz SNJMFPJLHSIDHC-UHFFFAOYSA-N 0 3 384.933 1.858 20 30 GDEDHN C=CCNc1nnc(S(=O)(=O)C(C)C(=O)N(C)Cc2ccccc2)s1 ZINC000479003977 531351195 /nfs/dbraw/zinc/35/11/95/531351195.db2.gz YETUJCDXWQWYPK-LBPRGKRZSA-N 0 3 380.495 1.957 20 30 GDEDHN C=CCOc1ccc(CNCCNS(=O)(=O)c2sc(=O)[nH]c2C)cc1 ZINC000482520690 531399627 /nfs/dbraw/zinc/39/96/27/531399627.db2.gz UQYUVIOBDGBGSP-UHFFFAOYSA-N 0 3 383.495 1.790 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC2CCS(=O)(=O)CC2)cc1 ZINC000588291171 531650895 /nfs/dbraw/zinc/65/08/95/531650895.db2.gz LUTNARBRNVKULK-NSHDSACASA-N 0 3 385.467 1.071 20 30 GDEDHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccc(C#N)c(Br)c3)[C@H]2C1 ZINC000590282694 531688287 /nfs/dbraw/zinc/68/82/87/531688287.db2.gz WNVWDXISQXUKOQ-RISCZKNCSA-N 0 3 377.242 1.422 20 30 GDEDHN C=CCNC(=O)NC(=O)C(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000561524899 531705451 /nfs/dbraw/zinc/70/54/51/531705451.db2.gz BGSURPSJBLIELZ-SECBINFHSA-N 0 3 375.244 1.623 20 30 GDEDHN CC(C#N)C(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000510388840 531788532 /nfs/dbraw/zinc/78/85/32/531788532.db2.gz LPRHYJCUWCZOEX-NSHDSACASA-N 0 3 375.372 1.698 20 30 GDEDHN CN(C)C[C@@]1(O)CCCN(C(=O)COc2cccc(Br)c2C#N)C1 ZINC000597586410 531948804 /nfs/dbraw/zinc/94/88/04/531948804.db2.gz LWUILBQKTQTIAU-KRWDZBQOSA-N 0 3 396.285 1.615 20 30 GDEDHN N#CC1(C[C@@H](O)CNCCn2cc(Br)ccc2=O)CCOCC1 ZINC000600738920 532053007 /nfs/dbraw/zinc/05/30/07/532053007.db2.gz MJRKMVAVUUGHRK-CQSZACIVSA-N 0 3 384.274 1.272 20 30 GDEDHN CC[C@@H](C#N)Oc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nnn[n-]4)cnn3C2)c1 ZINC000736308449 598877100 /nfs/dbraw/zinc/87/71/00/598877100.db2.gz DMMLPTHXXYJNEC-CABCVRRESA-N 0 3 393.455 1.576 20 30 GDEDHN CC[C@@H](C#N)Oc1cccc(C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000736308449 598877101 /nfs/dbraw/zinc/87/71/01/598877101.db2.gz DMMLPTHXXYJNEC-CABCVRRESA-N 0 3 393.455 1.576 20 30 GDEDHN C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CC1 ZINC000819722536 607275163 /nfs/dbraw/zinc/27/51/63/607275163.db2.gz MCMBUAJFBQAUKZ-UHFFFAOYSA-N 0 3 383.456 1.270 20 30 GDEDHN CCOC(=O)c1csc(C(C#N)C(=O)Nc2cccc(-c3nn[nH]n3)c2)n1 ZINC000825570636 608493710 /nfs/dbraw/zinc/49/37/10/608493710.db2.gz LROKVNVSAXGQRL-NSHDSACASA-N 0 3 383.393 1.746 20 30 GDEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)N1CCCC1 ZINC000550606807 650595421 /nfs/dbraw/zinc/59/54/21/650595421.db2.gz ZCVYPUMFPXECMR-NSHDSACASA-N 0 3 379.258 1.860 20 30 GDEDHN C=CCN1CCC(NC(=O)Nc2nc3cc(Br)ccn3n2)CC1 ZINC000455841050 647390011 /nfs/dbraw/zinc/39/00/11/647390011.db2.gz JJAJYBBDAIGGGH-UHFFFAOYSA-N 0 3 379.262 2.264 20 30 GDEDHN C=CCOCCN[C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000780746091 654792414 /nfs/dbraw/zinc/79/24/14/654792414.db2.gz VVHMBONZGNFNQF-ZDUSSCGKSA-N 0 3 376.500 1.265 20 30 GDEDHN CNS(=O)(=O)[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000750199834 654849950 /nfs/dbraw/zinc/84/99/50/654849950.db2.gz HKGBPUXFJWOIMH-NWDGAFQWSA-N 0 3 378.479 1.096 20 30 GDEDHN CS(=O)(=O)CCSc1cc(Br)ccc1C=NNC(=N)N ZINC000783824007 654871187 /nfs/dbraw/zinc/87/11/87/654871187.db2.gz LRTIWIWUKRKIND-UHFFFAOYSA-N 0 3 379.305 1.403 20 30 GDEDHN C[C@@H](Sc1nncn1C)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786533577 654943039 /nfs/dbraw/zinc/94/30/39/654943039.db2.gz FPYYBECDEYXJDU-ZWNOBZJWSA-N 0 3 377.857 1.974 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(OC)cc1Br ZINC000815861636 655306853 /nfs/dbraw/zinc/30/68/53/655306853.db2.gz RGRIYGCIYPAYQC-UHFFFAOYSA-N 0 3 382.258 1.468 20 30 GDEDHN C=CCS(=O)(=O)CCNCCC(=O)Nc1cccc(Br)c1 ZINC000819221649 655388193 /nfs/dbraw/zinc/38/81/93/655388193.db2.gz GNRIATLPXXXNMG-UHFFFAOYSA-N 0 3 375.288 1.968 20 30 GDEDHN C=CCS(=O)(=O)CCNC[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000819221716 655388318 /nfs/dbraw/zinc/38/83/18/655388318.db2.gz HSNAHBWHHKYZDC-CYBMUJFWSA-N 0 3 396.278 1.518 20 30 GDEDHN C#CCN(c1nc(N)nc(N)n1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000858410065 655747851 /nfs/dbraw/zinc/74/78/51/655747851.db2.gz LNZQDMYIQVDFAA-LLVKDONJSA-N 0 3 375.230 1.762 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(Br)cc1OC ZINC000873896327 656427145 /nfs/dbraw/zinc/42/71/45/656427145.db2.gz SDMAJBNCHLLJQG-UHFFFAOYSA-N 0 3 382.258 1.468 20 30 GDEDHN COCCN(C)CCN1C[C@@H](Nc2ncc(C#N)cc2Br)CC1=O ZINC000882476584 657129655 /nfs/dbraw/zinc/12/96/55/657129655.db2.gz IXUNTDWEKYRZJX-ZDUSSCGKSA-N 0 3 396.289 1.307 20 30 GDEDHN N#Cc1ccc(Br)c(CN2CCC3(CC2)C[C@@H](O)CNC3=O)c1 ZINC000932834571 657226911 /nfs/dbraw/zinc/22/69/11/657226911.db2.gz FGEKMKSBFLQIIE-CQSZACIVSA-N 0 3 378.270 1.784 20 30 GDEDHN N#C[C@H]1CNCC12CC(C(=O)NCC(=O)Nc1ccc(Br)cc1)C2 ZINC000884096566 657324529 /nfs/dbraw/zinc/32/45/29/657324529.db2.gz ZFCVVXUHYMWXQT-JKGQDXBKSA-N 0 3 391.269 1.643 20 30 GDEDHN N#Cc1cc(S(=O)(=O)N[C@@H]2CNCCC2(F)F)ccc1Br ZINC000903499493 659319414 /nfs/dbraw/zinc/31/94/14/659319414.db2.gz KMAQIIKYJHYDHP-LLVKDONJSA-N 0 3 380.214 1.596 20 30 GDEDHN CN1CCC(N(CCO)C(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000911945877 660022316 /nfs/dbraw/zinc/02/23/16/660022316.db2.gz KWONAILLULQWSG-UHFFFAOYSA-N 0 3 380.286 1.778 20 30 GDEDHN CCc1nc(C#N)c(C#N)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164878622 721179560 /nfs/dbraw/zinc/17/95/60/721179560.db2.gz QRZLIEPIIOXPJK-IRXDYDNUSA-N 0 3 389.463 1.657 20 30 GDEDHN C=C(Cl)CN1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571285438 945917284 /nfs/dbraw/zinc/91/72/84/945917284.db2.gz DOSQWGZFSHAKGY-ZIEJDFEHSA-N 0 3 387.875 1.730 20 30 GDEDHN C#CCO[C@@H](C)C(=O)NCC1([NH2+]Cc2ccccc2-c2nnn[n-]2)CCCC1 ZINC001573286502 946809772 /nfs/dbraw/zinc/80/97/72/946809772.db2.gz CRSIMLPNJYLGKT-HNNXBMFYSA-N 0 3 382.468 1.424 20 30 GDEDHN C#CCO[C@@H](C)C(=O)NCC1([NH2+]Cc2ccccc2-c2nn[n-]n2)CCCC1 ZINC001573286502 946809785 /nfs/dbraw/zinc/80/97/85/946809785.db2.gz CRSIMLPNJYLGKT-HNNXBMFYSA-N 0 3 382.468 1.424 20 30 GDEDHN C#CCOCCC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573287423 946835248 /nfs/dbraw/zinc/83/52/48/946835248.db2.gz NIUOOTJXDCYTOM-QGZVFWFLSA-N 0 3 382.468 1.329 20 30 GDEDHN C#CCOCCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573287423 946835252 /nfs/dbraw/zinc/83/52/52/946835252.db2.gz NIUOOTJXDCYTOM-QGZVFWFLSA-N 0 3 382.468 1.329 20 30 GDEDHN C#CCOCCC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573287423 946835265 /nfs/dbraw/zinc/83/52/65/946835265.db2.gz NIUOOTJXDCYTOM-QGZVFWFLSA-N 0 3 382.468 1.329 20 30 GDEDHN C#CCOCCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573287423 946835285 /nfs/dbraw/zinc/83/52/85/946835285.db2.gz NIUOOTJXDCYTOM-QGZVFWFLSA-N 0 3 382.468 1.329 20 30 GDEDHN C=C(Br)C[NH2+]C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573293045 946947335 /nfs/dbraw/zinc/94/73/35/946947335.db2.gz KMUUSNLLVAAFIS-JTQLQIEISA-N 0 3 380.250 1.155 20 30 GDEDHN C=C(Br)C[NH2+]C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573293045 946947341 /nfs/dbraw/zinc/94/73/41/946947341.db2.gz KMUUSNLLVAAFIS-JTQLQIEISA-N 0 3 380.250 1.155 20 30 GDEDHN C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573293657 946961882 /nfs/dbraw/zinc/96/18/82/946961882.db2.gz FNUVFOFNKVTTML-MBGYTDRXSA-N 0 3 381.484 1.943 20 30 GDEDHN C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573293657 946961893 /nfs/dbraw/zinc/96/18/93/946961893.db2.gz FNUVFOFNKVTTML-MBGYTDRXSA-N 0 3 381.484 1.943 20 30 GDEDHN C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573293657 946961900 /nfs/dbraw/zinc/96/19/00/946961900.db2.gz FNUVFOFNKVTTML-MBGYTDRXSA-N 0 3 381.484 1.943 20 30 GDEDHN C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573293657 946961912 /nfs/dbraw/zinc/96/19/12/946961912.db2.gz FNUVFOFNKVTTML-MBGYTDRXSA-N 0 3 381.484 1.943 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001573563705 946985465 /nfs/dbraw/zinc/98/54/65/946985465.db2.gz CIESTQOPQXSBDP-OLZOCXBDSA-N 0 3 385.447 1.882 20 30 GDEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001573294548 946991913 /nfs/dbraw/zinc/99/19/13/946991913.db2.gz HKSGWYIVRSFIMV-OTWHNJEPSA-N 0 3 396.495 1.832 20 30 GDEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001573294548 946991921 /nfs/dbraw/zinc/99/19/21/946991921.db2.gz HKSGWYIVRSFIMV-OTWHNJEPSA-N 0 3 396.495 1.832 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)NC[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573310206 947219500 /nfs/dbraw/zinc/21/95/00/947219500.db2.gz UXCCUISLRJIBPK-AUUYWEPGSA-N 0 3 388.447 1.271 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573310206 947219511 /nfs/dbraw/zinc/21/95/11/947219511.db2.gz UXCCUISLRJIBPK-AUUYWEPGSA-N 0 3 388.447 1.271 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573310644 947227475 /nfs/dbraw/zinc/22/74/75/947227475.db2.gz YRMHRHVIYHHQPM-LIRRHRJNSA-N 0 3 388.447 1.414 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573310644 947227485 /nfs/dbraw/zinc/22/74/85/947227485.db2.gz YRMHRHVIYHHQPM-LIRRHRJNSA-N 0 3 388.447 1.414 20 30 GDEDHN C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573584987 947241396 /nfs/dbraw/zinc/24/13/96/947241396.db2.gz BOZZGXUUCBPCRH-YDHLFZDLSA-N 0 3 385.447 1.930 20 30 GDEDHN C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001573584987 947241407 /nfs/dbraw/zinc/24/14/07/947241407.db2.gz BOZZGXUUCBPCRH-YDHLFZDLSA-N 0 3 385.447 1.930 20 30 GDEDHN C=CCCO[C@H](C)C(=O)N1CCC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573337089 947513911 /nfs/dbraw/zinc/51/39/11/947513911.db2.gz UDGZYLUKZIABCK-OAHLLOKOSA-N 0 3 384.484 1.929 20 30 GDEDHN C=CCCO[C@H](C)C(=O)N1CCC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573337089 947513921 /nfs/dbraw/zinc/51/39/21/947513921.db2.gz UDGZYLUKZIABCK-OAHLLOKOSA-N 0 3 384.484 1.929 20 30 GDEDHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC001574983963 950252695 /nfs/dbraw/zinc/25/26/95/950252695.db2.gz UCBMJKMYSOCKPV-GFCCVEGCSA-N 0 3 380.412 1.005 20 30 GDEDHN C[C@@H]1[C@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575905428 950293594 /nfs/dbraw/zinc/29/35/94/950293594.db2.gz CJSIMSNERYOXOT-MLGOLLRUSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575915251 950511946 /nfs/dbraw/zinc/51/19/46/950511946.db2.gz WQGJDRKGUUXLFL-MLGOLLRUSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575915251 950511960 /nfs/dbraw/zinc/51/19/60/950511960.db2.gz WQGJDRKGUUXLFL-MLGOLLRUSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@H](CNCc1ccc(C#N)cc1F)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575101409 951860249 /nfs/dbraw/zinc/86/02/49/951860249.db2.gz DRPWOZRPJLBUIN-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001571120918 952511810 /nfs/dbraw/zinc/51/18/10/952511810.db2.gz UBQBRZUVLSCSFN-LRDDRELGSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001571120918 952511814 /nfs/dbraw/zinc/51/18/14/952511814.db2.gz UBQBRZUVLSCSFN-LRDDRELGSA-N 0 3 376.424 1.459 20 30 GDEDHN N#Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)ccc1F ZINC001571155738 952699515 /nfs/dbraw/zinc/69/95/15/952699515.db2.gz YQSVYDBXBYRMNY-HDJSIYSDSA-N 0 3 380.387 1.256 20 30 GDEDHN N#Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)ccc1F ZINC001571155738 952699516 /nfs/dbraw/zinc/69/95/16/952699516.db2.gz YQSVYDBXBYRMNY-HDJSIYSDSA-N 0 3 380.387 1.256 20 30 GDEDHN CC(C#N)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000525693234 531296537 /nfs/dbraw/zinc/29/65/37/531296537.db2.gz GEWZFGFGSQJOMD-JTQLQIEISA-N 0 3 376.265 1.986 20 30 GDEDHN CN1CCN(CCCNC(=O)COc2cccc(Br)c2C#N)CC1 ZINC000449163860 531467648 /nfs/dbraw/zinc/46/76/48/531467648.db2.gz NQSBSHWAOZXEHU-UHFFFAOYSA-N 0 3 395.301 1.453 20 30 GDEDHN C=CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCC[C@@H]1CN ZINC000415490789 531489815 /nfs/dbraw/zinc/48/98/15/531489815.db2.gz VRFNMGAJRVIWNV-GFCCVEGCSA-N 0 3 382.258 1.902 20 30 GDEDHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000294741211 531494018 /nfs/dbraw/zinc/49/40/18/531494018.db2.gz LIVRQUXDSJUFHF-RISCZKNCSA-N 0 3 391.269 1.954 20 30 GDEDHN C[NH+](C)CCCOc1cnccc1C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000581511080 531496274 /nfs/dbraw/zinc/49/62/74/531496274.db2.gz VZFSWHRDHUKNMU-UHFFFAOYSA-N 0 3 380.495 1.824 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](S(C)(=O)=O)C2)cc1 ZINC000588291113 531651427 /nfs/dbraw/zinc/65/14/27/531651427.db2.gz YMLYULWCRIKZCG-FZMZJTMJSA-N 0 3 385.467 1.023 20 30 GDEDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(Br)cc1C#N ZINC000592872839 531807764 /nfs/dbraw/zinc/80/77/64/531807764.db2.gz MHIJLRULGAAACF-NSHDSACASA-N 0 3 379.258 1.513 20 30 GDEDHN N#CCCCC[C@H](N)C(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000595257094 531873290 /nfs/dbraw/zinc/87/32/90/531873290.db2.gz QBLLERCMHPJOGK-LBPRGKRZSA-N 0 3 382.262 1.101 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCCS2)cc1 ZINC000569465122 531923263 /nfs/dbraw/zinc/92/32/63/531923263.db2.gz ZDOJELLHMGIALY-WCQYABFASA-N 0 3 381.479 1.323 20 30 GDEDHN CN(C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000288904964 532311121 /nfs/dbraw/zinc/31/11/21/532311121.db2.gz SYBOWFQGYWYVCP-ZDUSSCGKSA-N 0 3 379.258 1.812 20 30 GDEDHN C=CC[NH+]1CCC(NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC1 ZINC000735426850 598361791 /nfs/dbraw/zinc/36/17/91/598361791.db2.gz YTLDSARBHFSCTP-UHFFFAOYSA-N 0 3 393.455 1.015 20 30 GDEDHN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1C#N ZINC000826073211 608020296 /nfs/dbraw/zinc/02/02/96/608020296.db2.gz JTPLDGQHQNXLOC-LLVKDONJSA-N 0 3 395.427 1.019 20 30 GDEDHN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1C#N ZINC000826073211 608020297 /nfs/dbraw/zinc/02/02/97/608020297.db2.gz JTPLDGQHQNXLOC-LLVKDONJSA-N 0 3 395.427 1.019 20 30 GDEDHN C#CCOc1ccc(Br)cc1CNCCC(=O)N1CCN(C)CC1 ZINC000171764534 644877686 /nfs/dbraw/zinc/87/76/86/644877686.db2.gz NBLJZBZROZSGMS-UHFFFAOYSA-N 0 3 394.313 1.715 20 30 GDEDHN [NH2+]=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)N1CCSCC1 ZINC000262800303 645139331 /nfs/dbraw/zinc/13/93/31/645139331.db2.gz QVDCJNJCNPSKNW-UHFFFAOYSA-N 0 3 380.898 1.121 20 30 GDEDHN CN1CCC[C@@H]1CNC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000330132606 645343207 /nfs/dbraw/zinc/34/32/07/645343207.db2.gz LMBNDYCAJIAMAK-SNVBAGLBSA-N 0 3 378.424 1.687 20 30 GDEDHN CNC(=O)C(C#N)C(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O ZINC000917002590 660204181 /nfs/dbraw/zinc/20/41/81/660204181.db2.gz LFRVHIRNAPQDBY-LBPRGKRZSA-N 0 3 392.209 1.280 20 30 GDEDHN N#CCCC[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000424061536 646157562 /nfs/dbraw/zinc/15/75/62/646157562.db2.gz FNPQRJCZSLCWPR-AWEZNQCLSA-N 0 3 384.889 1.194 20 30 GDEDHN N#CCCC[C@@H](N)C(=O)NCCOc1ccc(I)cc1 ZINC000424179648 646161319 /nfs/dbraw/zinc/16/13/19/646161319.db2.gz ZGEUFRXZHKZDMJ-CYBMUJFWSA-N 0 3 387.221 1.807 20 30 GDEDHN C=C(C)CN1CCC(Nc2ncc(Br)cc2S(N)(=O)=O)CC1 ZINC000504064120 648203439 /nfs/dbraw/zinc/20/34/39/648203439.db2.gz ZMEULRUREUXCSJ-UHFFFAOYSA-N 0 3 389.319 1.944 20 30 GDEDHN COCCN(C)C[C@H](O)COc1cc(C#N)ccc1I ZINC000571777012 651082143 /nfs/dbraw/zinc/08/21/43/651082143.db2.gz PRQAKXDGEAELAD-LBPRGKRZSA-N 0 3 390.221 1.481 20 30 GDEDHN CN1CCC[C@@H]1CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592763502 652203034 /nfs/dbraw/zinc/20/30/34/652203034.db2.gz KCVITZSUBCXGCX-OAHLLOKOSA-N 0 3 377.286 1.967 20 30 GDEDHN CC1(C)CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCN1 ZINC000592772476 652204343 /nfs/dbraw/zinc/20/43/43/652204343.db2.gz KEXJICYNSSZLMQ-UHFFFAOYSA-N 0 3 377.286 1.967 20 30 GDEDHN N#Cc1cc(Br)ccc1CC(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000599939035 652519060 /nfs/dbraw/zinc/51/90/60/652519060.db2.gz FVAAJYIAQOHPBB-JKSUJKDBSA-N 0 3 378.270 1.531 20 30 GDEDHN N#Cc1c(Br)cccc1OCC(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000599941693 652519564 /nfs/dbraw/zinc/51/95/64/652519564.db2.gz XHTYFRYTWWKZIN-CHWSQXEVSA-N 0 3 394.269 1.367 20 30 GDEDHN N#CC(C(=O)CCSc1ccccc1F)C(=O)N1CCS(=O)(=O)CC1 ZINC000732910810 654493365 /nfs/dbraw/zinc/49/33/65/654493365.db2.gz SMQQLCMUXWWGOP-LBPRGKRZSA-N 0 3 384.454 1.274 20 30 GDEDHN N#Cc1c(NCC2(N3CCSCC3)CCCC2)cccc1S(N)(=O)=O ZINC000754981411 654984176 /nfs/dbraw/zinc/98/41/76/654984176.db2.gz XNYUSLWDDZNYCZ-UHFFFAOYSA-N 0 3 380.539 1.979 20 30 GDEDHN C#CCN(C)CCCNC(=O)NCc1cc2c(c(Br)c1)OCO2 ZINC000836487256 655145340 /nfs/dbraw/zinc/14/53/40/655145340.db2.gz CAVREEYRSHNKPY-UHFFFAOYSA-N 0 3 382.258 1.932 20 30 GDEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc(OC)cc1Br ZINC000815083412 655286166 /nfs/dbraw/zinc/28/61/66/655286166.db2.gz XATIGQCOMPFXTC-UHFFFAOYSA-N 0 3 375.288 1.691 20 30 GDEDHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000815530846 655299133 /nfs/dbraw/zinc/29/91/33/655299133.db2.gz ZVAUZHDSQPKWRX-NSHDSACASA-N 0 3 379.258 1.860 20 30 GDEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CCN(C)S2(=O)=O)cc1Cl ZINC000842689808 655371306 /nfs/dbraw/zinc/37/13/06/655371306.db2.gz GBKYYANLUYTPLO-GXFFZTMASA-N 0 3 385.829 1.030 20 30 GDEDHN C=CCS(=O)(=O)CCNC[C@H](O)COc1cc(F)cc(Br)c1 ZINC000819221717 655388371 /nfs/dbraw/zinc/38/83/71/655388371.db2.gz HSNAHBWHHKYZDC-ZDUSSCGKSA-N 0 3 396.278 1.518 20 30 GDEDHN C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)CN1CCCC1 ZINC000879991353 656851481 /nfs/dbraw/zinc/85/14/81/656851481.db2.gz WQBZEAZLHJPKTN-UONOGXRCSA-N 0 3 375.897 1.595 20 30 GDEDHN N#Cc1nc(NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)ccc1Br ZINC000883084310 657267848 /nfs/dbraw/zinc/26/78/48/657267848.db2.gz NXCZPKSSSXCHLW-GHMZBOCLSA-N 0 3 380.246 1.700 20 30 GDEDHN C=C(CC[NH+](C)C)C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000908140366 659875230 /nfs/dbraw/zinc/87/52/30/659875230.db2.gz ZOAAVKBCSVLNKK-UHFFFAOYSA-N 0 3 394.324 1.896 20 30 GDEDHN COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cc1-c1nnn[n-]1 ZINC001571310238 946466263 /nfs/dbraw/zinc/46/62/63/946466263.db2.gz ZGPOMKDKTZLJHC-HDJSIYSDSA-N 0 3 392.423 1.126 20 30 GDEDHN COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cc1-c1nn[n-]n1 ZINC001571310238 946466274 /nfs/dbraw/zinc/46/62/74/946466274.db2.gz ZGPOMKDKTZLJHC-HDJSIYSDSA-N 0 3 392.423 1.126 20 30 GDEDHN C#CCO[C@H](C)C(=O)N[C@](C)(C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001573285235 946772672 /nfs/dbraw/zinc/77/26/72/946772672.db2.gz FUNHQDGWGKHSQR-JLTOFOAXSA-N 0 3 382.468 1.280 20 30 GDEDHN C#CCO[C@H](C)C(=O)N[C@](C)(C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001573285235 946772677 /nfs/dbraw/zinc/77/26/77/946772677.db2.gz FUNHQDGWGKHSQR-JLTOFOAXSA-N 0 3 382.468 1.280 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N1CCC[C@@H]1CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001573286040 946792366 /nfs/dbraw/zinc/79/23/66/946792366.db2.gz SAIRBSUQMSNPGN-XJKSGUPXSA-N 0 3 386.431 1.125 20 30 GDEDHN C#Cc1cncc(C(=O)N[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC001573292272 946931477 /nfs/dbraw/zinc/93/14/77/946931477.db2.gz RLAPSNGYQWMPGP-LJQANCHMSA-N 0 3 387.447 1.541 20 30 GDEDHN C#Cc1cncc(C(=O)N[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC001573292272 946931493 /nfs/dbraw/zinc/93/14/93/946931493.db2.gz RLAPSNGYQWMPGP-LJQANCHMSA-N 0 3 387.447 1.541 20 30 GDEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001573294347 946986437 /nfs/dbraw/zinc/98/64/37/946986437.db2.gz CTEYRBJJZXVXLP-PVUWLOKVSA-N 0 3 388.447 1.581 20 30 GDEDHN C[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001573565401 947008292 /nfs/dbraw/zinc/00/82/92/947008292.db2.gz QSODJLDYMKWPEN-QWHCGFSZSA-N 0 3 385.447 1.882 20 30 GDEDHN C[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1)C1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001573565401 947008300 /nfs/dbraw/zinc/00/83/00/947008300.db2.gz QSODJLDYMKWPEN-QWHCGFSZSA-N 0 3 385.447 1.882 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC2(CC[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)CC1 ZINC001573567446 947044687 /nfs/dbraw/zinc/04/46/87/947044687.db2.gz NEWCWMMVKCDHOQ-HNNXBMFYSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC2(CC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C2)CC1 ZINC001573567446 947044697 /nfs/dbraw/zinc/04/46/97/947044697.db2.gz NEWCWMMVKCDHOQ-HNNXBMFYSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC2(CC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)C2)CC1 ZINC001573567446 947044706 /nfs/dbraw/zinc/04/47/06/947044706.db2.gz NEWCWMMVKCDHOQ-HNNXBMFYSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC2(CC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)C2)CC1 ZINC001573567446 947044725 /nfs/dbraw/zinc/04/47/25/947044725.db2.gz NEWCWMMVKCDHOQ-HNNXBMFYSA-N 0 3 379.468 1.841 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573309997 947213561 /nfs/dbraw/zinc/21/35/61/947213561.db2.gz QUSPIRXGOPGPIG-UZLBHIALSA-N 0 3 384.484 1.617 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573309997 947213565 /nfs/dbraw/zinc/21/35/65/947213565.db2.gz QUSPIRXGOPGPIG-UZLBHIALSA-N 0 3 384.484 1.617 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573309997 947213572 /nfs/dbraw/zinc/21/35/72/947213572.db2.gz QUSPIRXGOPGPIG-UZLBHIALSA-N 0 3 384.484 1.617 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573309997 947213583 /nfs/dbraw/zinc/21/35/83/947213583.db2.gz QUSPIRXGOPGPIG-UZLBHIALSA-N 0 3 384.484 1.617 20 30 GDEDHN C=CCCOCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nnn[n-]3)CC[C@@H]2C1 ZINC001573335554 947483007 /nfs/dbraw/zinc/48/30/07/947483007.db2.gz AHEAIELWGHQJRA-AEFFLSMTSA-N 0 3 396.495 1.740 20 30 GDEDHN C=CCCOCC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3-c3nnn[n-]3)CC[C@@H]2C1 ZINC001573335554 947483016 /nfs/dbraw/zinc/48/30/16/947483016.db2.gz AHEAIELWGHQJRA-AEFFLSMTSA-N 0 3 396.495 1.740 20 30 GDEDHN C=CCCOCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3-c3nn[n-]n3)CC[C@@H]2C1 ZINC001573335554 947483027 /nfs/dbraw/zinc/48/30/27/947483027.db2.gz AHEAIELWGHQJRA-AEFFLSMTSA-N 0 3 396.495 1.740 20 30 GDEDHN C=CCCOCC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3-c3nn[n-]n3)CC[C@@H]2C1 ZINC001573335554 947483038 /nfs/dbraw/zinc/48/30/38/947483038.db2.gz AHEAIELWGHQJRA-AEFFLSMTSA-N 0 3 396.495 1.740 20 30 GDEDHN C=CCOCC(=O)N1CCC(CC)([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573343242 947555568 /nfs/dbraw/zinc/55/55/68/947555568.db2.gz LIEJDKAPOXWIQB-UHFFFAOYSA-N 0 3 384.484 1.930 20 30 GDEDHN C=CCOCC(=O)N1CCC(CC)([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573343242 947555574 /nfs/dbraw/zinc/55/55/74/947555574.db2.gz LIEJDKAPOXWIQB-UHFFFAOYSA-N 0 3 384.484 1.930 20 30 GDEDHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574528038 950922435 /nfs/dbraw/zinc/92/24/35/950922435.db2.gz KCGNSXYTHBEMHD-QWHCGFSZSA-N 0 3 378.440 1.753 20 30 GDEDHN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574528038 950922446 /nfs/dbraw/zinc/92/24/46/950922446.db2.gz KCGNSXYTHBEMHD-QWHCGFSZSA-N 0 3 378.440 1.753 20 30 GDEDHN C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574529321 950945108 /nfs/dbraw/zinc/94/51/08/950945108.db2.gz QERCFHJLFLTQOL-QWHCGFSZSA-N 0 3 378.440 1.753 20 30 GDEDHN C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574529321 950945128 /nfs/dbraw/zinc/94/51/28/950945128.db2.gz QERCFHJLFLTQOL-QWHCGFSZSA-N 0 3 378.440 1.753 20 30 GDEDHN C[C@@H](O)CN1CCC(CN(C)S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000161455445 530560407 /nfs/dbraw/zinc/56/04/07/530560407.db2.gz UQGYUVSDIDJWFM-CYBMUJFWSA-N 0 3 385.917 1.925 20 30 GDEDHN COCCCN(C)CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000292970184 531392939 /nfs/dbraw/zinc/39/29/39/531392939.db2.gz BFWSLBUKLGIXTB-UHFFFAOYSA-N 0 3 397.273 1.344 20 30 GDEDHN C#CCN1CCC(C(=O)N[C@H]2CN(c3ccc(Br)cc3)C2=O)CC1 ZINC000293582500 531430403 /nfs/dbraw/zinc/43/04/03/531430403.db2.gz ATEDDIGRAYTJRG-INIZCTEOSA-N 0 3 390.281 1.626 20 30 GDEDHN CN(CCC#N)C[C@H](O)CNCCC(=O)Nc1ccc(Br)cc1 ZINC000582057586 531533877 /nfs/dbraw/zinc/53/38/77/531533877.db2.gz UWAXLKROYSJHHL-OAHLLOKOSA-N 0 3 383.290 1.574 20 30 GDEDHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccc(Br)c(C#N)c3)[C@H]2C1 ZINC000590279370 531685993 /nfs/dbraw/zinc/68/59/93/531685993.db2.gz BONYLQKGJCHZBV-YGRLFVJLSA-N 0 3 377.242 1.422 20 30 GDEDHN CN1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000590279359 531686631 /nfs/dbraw/zinc/68/66/31/531686631.db2.gz BONYLQKGJCHZBV-HZMBPMFUSA-N 0 3 377.242 1.422 20 30 GDEDHN CN1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000590282692 531687235 /nfs/dbraw/zinc/68/72/35/531687235.db2.gz WNVWDXISQXUKOQ-FZMZJTMJSA-N 0 3 377.242 1.422 20 30 GDEDHN CN1C[C@H]2CCN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)[C@H]2C1 ZINC000592802353 531802028 /nfs/dbraw/zinc/80/20/28/531802028.db2.gz XNKWTIFKNROWIS-PXAZEXFGSA-N 0 3 389.297 1.919 20 30 GDEDHN CN1C[C@H]2[C@@H](CCN2C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 ZINC000592802354 531802502 /nfs/dbraw/zinc/80/25/02/531802502.db2.gz XNKWTIFKNROWIS-SJCJKPOMSA-N 0 3 389.297 1.919 20 30 GDEDHN C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)c1 ZINC000270449586 531870669 /nfs/dbraw/zinc/87/06/69/531870669.db2.gz JCLXULLOFVGCQB-CVEARBPZSA-N 0 3 383.539 1.269 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H]2CSC2(C)C)cc1 ZINC000577067637 532032288 /nfs/dbraw/zinc/03/22/88/532032288.db2.gz GUTXOLHTBWLZFO-MFKMUULPSA-N 0 3 381.479 1.321 20 30 GDEDHN CCN1CCC(NC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000287288619 532206472 /nfs/dbraw/zinc/20/64/72/532206472.db2.gz CHPIRLVPVOYECA-UHFFFAOYSA-N 0 3 379.258 1.860 20 30 GDEDHN COCCN(C)CCCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000287454890 532216188 /nfs/dbraw/zinc/21/61/88/532216188.db2.gz NNBQTXCYNXVZNN-UHFFFAOYSA-N 0 3 397.273 1.344 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC2([S@@](C)=O)CCC2)cc1 ZINC000287530826 532220843 /nfs/dbraw/zinc/22/08/43/532220843.db2.gz ISMIUHJIKWCJMG-FNODVLLQSA-N 0 3 383.495 1.795 20 30 GDEDHN C[N@H+](CCCOc1cccc(-c2nnn[n-]2)c1)CCCc1[nH]nc(N)c1C#N ZINC000825923292 608036900 /nfs/dbraw/zinc/03/69/00/608036900.db2.gz FTNNSFAMNVRKLF-UHFFFAOYSA-N 0 3 381.444 1.377 20 30 GDEDHN C[N@@H+](CCCOc1cccc(-c2nnn[n-]2)c1)CCCc1[nH]nc(N)c1C#N ZINC000825923292 608036901 /nfs/dbraw/zinc/03/69/01/608036901.db2.gz FTNNSFAMNVRKLF-UHFFFAOYSA-N 0 3 381.444 1.377 20 30 GDEDHN C[N@H+](CCCOc1cccc(-c2nn[n-]n2)c1)CCCc1[nH]nc(N)c1C#N ZINC000825923292 608036902 /nfs/dbraw/zinc/03/69/02/608036902.db2.gz FTNNSFAMNVRKLF-UHFFFAOYSA-N 0 3 381.444 1.377 20 30 GDEDHN C[N@@H+](CCCOc1cccc(-c2nn[n-]n2)c1)CCCc1[nH]nc(N)c1C#N ZINC000825923292 608036903 /nfs/dbraw/zinc/03/69/03/608036903.db2.gz FTNNSFAMNVRKLF-UHFFFAOYSA-N 0 3 381.444 1.377 20 30 GDEDHN CNC(=O)C(C#N)C(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000051348636 644412699 /nfs/dbraw/zinc/41/26/99/644412699.db2.gz BUONPSMDTKIEBV-AWEZNQCLSA-N 0 3 392.253 1.756 20 30 GDEDHN N#CC(C(=O)NC1CC1)C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000129559234 644735539 /nfs/dbraw/zinc/73/55/39/644735539.db2.gz IHCVULQOWGCNJA-NEPJUHHUSA-N 0 3 390.237 1.789 20 30 GDEDHN C[NH+]=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCC(C)CC1 ZINC000162487145 644857787 /nfs/dbraw/zinc/85/77/87/644857787.db2.gz BNCMKQACKSGSLX-UHFFFAOYSA-N 0 3 378.951 1.987 20 30 GDEDHN N#CCCC[C@H](N)C(=O)NCCOc1ccc(I)cc1 ZINC000424179649 646161180 /nfs/dbraw/zinc/16/11/80/646161180.db2.gz ZGEUFRXZHKZDMJ-ZDUSSCGKSA-N 0 3 387.221 1.807 20 30 GDEDHN N#Cc1c(Br)cccc1OCC(=O)NC[C@H]1CCCCN1CCO ZINC000452382846 647321703 /nfs/dbraw/zinc/32/17/03/647321703.db2.gz YWRNDVOCKLOOCH-CYBMUJFWSA-N 0 3 396.285 1.663 20 30 GDEDHN CCS(=O)(=O)C=C(C)NN=c1ccc(S(=O)(=O)NC(C)(C)C)c[nH]1 ZINC000733744900 654521317 /nfs/dbraw/zinc/52/13/17/654521317.db2.gz WAGRMAMXZANZSH-UHFFFAOYSA-N 0 3 376.504 1.381 20 30 GDEDHN COCCNC(=O)C(C#N)C(=O)Cc1c(F)ccc(Br)c1F ZINC000800385222 654884045 /nfs/dbraw/zinc/88/40/45/654884045.db2.gz VBOLCEJEPZSRBF-SECBINFHSA-N 0 3 375.169 1.741 20 30 GDEDHN C=CCN1CCC(NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000729942557 654922238 /nfs/dbraw/zinc/92/22/38/654922238.db2.gz NDQBIRQJUAJGGR-UHFFFAOYSA-N 0 3 382.555 1.874 20 30 GDEDHN C[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CCS1(=O)=O ZINC000759998869 655099393 /nfs/dbraw/zinc/09/93/93/655099393.db2.gz JLRNLSKXDSJQFE-OLZOCXBDSA-N 0 3 377.491 1.982 20 30 GDEDHN CC[C@H](Sc1ccccc1)C(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000842307359 655361656 /nfs/dbraw/zinc/36/16/56/655361656.db2.gz QXPCYWVPKJOTAO-GJZGRUSLSA-N 0 3 380.491 1.523 20 30 GDEDHN CCN(CC)c1ccc(/C=[NH+]\CCS(=O)(=O)N=S(C)(C)=O)c([O-])c1 ZINC000905001069 659416207 /nfs/dbraw/zinc/41/62/07/659416207.db2.gz DSDGWANHTUXOKI-VBKFSLOCSA-N 0 3 375.516 1.715 20 30 GDEDHN CN(C)CC#CCNC(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000913521759 660085140 /nfs/dbraw/zinc/08/51/40/660085140.db2.gz MANYUNRDYIVXOC-UHFFFAOYSA-N 0 3 377.388 1.372 20 30 GDEDHN N#Cc1ccc(C[NH2+][C@H]2CCC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cc1 ZINC001571298164 946208614 /nfs/dbraw/zinc/20/86/14/946208614.db2.gz AXUAXPVBGARUJT-IRXDYDNUSA-N 0 3 390.451 1.897 20 30 GDEDHN N#Cc1ccc(C[NH2+][C@H]2CCC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cc1 ZINC001571298164 946208622 /nfs/dbraw/zinc/20/86/22/946208622.db2.gz AXUAXPVBGARUJT-IRXDYDNUSA-N 0 3 390.451 1.897 20 30 GDEDHN N#Cc1c[nH]c(C(=O)N[C@H]2CCC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)c1 ZINC001571299813 946262498 /nfs/dbraw/zinc/26/24/98/946262498.db2.gz VIZUFOLNBDYMNA-IRXDYDNUSA-N 0 3 390.451 1.897 20 30 GDEDHN N#Cc1c[nH]c(C(=O)N[C@H]2CCC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC001571299813 946262512 /nfs/dbraw/zinc/26/25/12/946262512.db2.gz VIZUFOLNBDYMNA-IRXDYDNUSA-N 0 3 390.451 1.897 20 30 GDEDHN N#Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccc(-c4nnn[n-]4)c3)C2)c[nH]1 ZINC001571299967 946268078 /nfs/dbraw/zinc/26/80/78/946268078.db2.gz WVYDUNYMCNOQDD-HNNXBMFYSA-N 0 3 390.451 1.708 20 30 GDEDHN N#Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)C2)c[nH]1 ZINC001571299967 946268083 /nfs/dbraw/zinc/26/80/83/946268083.db2.gz WVYDUNYMCNOQDD-HNNXBMFYSA-N 0 3 390.451 1.708 20 30 GDEDHN N#Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccc(-c4nn[n-]n4)c3)C2)c[nH]1 ZINC001571299967 946268091 /nfs/dbraw/zinc/26/80/91/946268091.db2.gz WVYDUNYMCNOQDD-HNNXBMFYSA-N 0 3 390.451 1.708 20 30 GDEDHN N#Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)C2)c[nH]1 ZINC001571299967 946268099 /nfs/dbraw/zinc/26/80/99/946268099.db2.gz WVYDUNYMCNOQDD-HNNXBMFYSA-N 0 3 390.451 1.708 20 30 GDEDHN C#CCOCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)[C@H](C)C1 ZINC001573286690 946816930 /nfs/dbraw/zinc/81/69/30/946816930.db2.gz HOBISMSQPAIPCU-QAPCUYQASA-N 0 3 382.468 1.233 20 30 GDEDHN C#CCOCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)[C@H](C)C1 ZINC001573286690 946816943 /nfs/dbraw/zinc/81/69/43/946816943.db2.gz HOBISMSQPAIPCU-QAPCUYQASA-N 0 3 382.468 1.233 20 30 GDEDHN C#CCOCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)[C@H](C)C1 ZINC001573286688 946818136 /nfs/dbraw/zinc/81/81/36/946818136.db2.gz HOBISMSQPAIPCU-CRAIPNDOSA-N 0 3 382.468 1.233 20 30 GDEDHN C#CCOCCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)[C@H](C)C1 ZINC001573286688 946818149 /nfs/dbraw/zinc/81/81/49/946818149.db2.gz HOBISMSQPAIPCU-CRAIPNDOSA-N 0 3 382.468 1.233 20 30 GDEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573295157 947008543 /nfs/dbraw/zinc/00/85/43/947008543.db2.gz OGLBJGRBGFFMHJ-JLSDUUJJSA-N 0 3 384.484 1.690 20 30 GDEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573295157 947008551 /nfs/dbraw/zinc/00/85/51/947008551.db2.gz OGLBJGRBGFFMHJ-JLSDUUJJSA-N 0 3 384.484 1.690 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCCC[C@@H]1C[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573566589 947026253 /nfs/dbraw/zinc/02/62/53/947026253.db2.gz DIIYUYXRWFPAPE-UKRRQHHQSA-N 0 3 385.447 1.978 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCCC[C@@H]1C[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573566589 947026258 /nfs/dbraw/zinc/02/62/58/947026258.db2.gz DIIYUYXRWFPAPE-UKRRQHHQSA-N 0 3 385.447 1.978 20 30 GDEDHN C[C@H](C#N)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001573568207 947070692 /nfs/dbraw/zinc/07/06/92/947070692.db2.gz ZFSKZPBCBVWAII-YJYMSZOUSA-N 0 3 383.431 1.590 20 30 GDEDHN C[C@H](C#N)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)C1 ZINC001573568207 947070702 /nfs/dbraw/zinc/07/07/02/947070702.db2.gz ZFSKZPBCBVWAII-YJYMSZOUSA-N 0 3 383.431 1.590 20 30 GDEDHN C[C@@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)C1CCCC1 ZINC001573571719 947102148 /nfs/dbraw/zinc/10/21/48/947102148.db2.gz AGAQYYMJPNNYTC-SJCJKPOMSA-N 0 3 385.447 1.930 20 30 GDEDHN C[C@@H](C#N)C(=O)N[C@H]1CC12CC[NH+](Cc1ccc(-c3nnn[n-]3)c(F)c1)CC2 ZINC001573572011 947106509 /nfs/dbraw/zinc/10/65/09/947106509.db2.gz CVFCMCLLZDSMFM-LRDDRELGSA-N 0 3 383.431 1.636 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573309402 947198476 /nfs/dbraw/zinc/19/84/76/947198476.db2.gz ILPPMKYHCGNXHQ-IFXJQAMLSA-N 0 3 388.447 1.271 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573309402 947198485 /nfs/dbraw/zinc/19/84/85/947198485.db2.gz ILPPMKYHCGNXHQ-IFXJQAMLSA-N 0 3 388.447 1.271 20 30 GDEDHN C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1OCC ZINC001573333902 947444015 /nfs/dbraw/zinc/44/40/15/947444015.db2.gz HKDPSRLQHSPZMF-FRFSOERESA-N 0 3 387.488 1.616 20 30 GDEDHN C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1OCC ZINC001573333902 947444020 /nfs/dbraw/zinc/44/40/20/947444020.db2.gz HKDPSRLQHSPZMF-FRFSOERESA-N 0 3 387.488 1.616 20 30 GDEDHN C=CCC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)CC2 ZINC001573336056 947498601 /nfs/dbraw/zinc/49/86/01/947498601.db2.gz ZLBCWZWUNBLZMH-HNNXBMFYSA-N 0 3 385.472 1.372 20 30 GDEDHN C=CCC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)CC2 ZINC001573336056 947498606 /nfs/dbraw/zinc/49/86/06/947498606.db2.gz ZLBCWZWUNBLZMH-HNNXBMFYSA-N 0 3 385.472 1.372 20 30 GDEDHN C=CCOCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573342898 947551053 /nfs/dbraw/zinc/55/10/53/947551053.db2.gz GPIAKRFKUPGQEE-MSOLQXFVSA-N 0 3 382.468 1.635 20 30 GDEDHN C=CCOCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573342898 947551062 /nfs/dbraw/zinc/55/10/62/947551062.db2.gz GPIAKRFKUPGQEE-MSOLQXFVSA-N 0 3 382.468 1.635 20 30 GDEDHN C=CCOCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573342898 947551071 /nfs/dbraw/zinc/55/10/71/947551071.db2.gz GPIAKRFKUPGQEE-MSOLQXFVSA-N 0 3 382.468 1.635 20 30 GDEDHN C=CCOCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573342898 947551075 /nfs/dbraw/zinc/55/10/75/947551075.db2.gz GPIAKRFKUPGQEE-MSOLQXFVSA-N 0 3 382.468 1.635 20 30 GDEDHN C=CCOCC(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573344174 947570020 /nfs/dbraw/zinc/57/00/20/947570020.db2.gz XTFFDCWPJJIZPS-CQSZACIVSA-N 0 3 388.447 1.489 20 30 GDEDHN C=CCOCC(=O)N1CC[C@H](C[N@H+](C)Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573344174 947570029 /nfs/dbraw/zinc/57/00/29/947570029.db2.gz XTFFDCWPJJIZPS-CQSZACIVSA-N 0 3 388.447 1.489 20 30 GDEDHN C=CCOCC(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573344174 947570039 /nfs/dbraw/zinc/57/00/39/947570039.db2.gz XTFFDCWPJJIZPS-CQSZACIVSA-N 0 3 388.447 1.489 20 30 GDEDHN C=CCOCC(=O)N1CC[C@H](C[N@H+](C)Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573344174 947570045 /nfs/dbraw/zinc/57/00/45/947570045.db2.gz XTFFDCWPJJIZPS-CQSZACIVSA-N 0 3 388.447 1.489 20 30 GDEDHN C[C@H]1[C@H]([NH2+]Cc2cccc(C#N)c2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575908671 950373899 /nfs/dbraw/zinc/37/38/99/950373899.db2.gz CYLOFZGDXCEYIV-SWLSCSKDSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575908899 950384557 /nfs/dbraw/zinc/38/45/57/950384557.db2.gz WZWQSESHAKGSKX-YGRLFVJLSA-N 0 3 382.453 1.521 20 30 GDEDHN C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575078244 951679177 /nfs/dbraw/zinc/67/91/77/951679177.db2.gz KIANSPDGUAPJED-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575078244 951679181 /nfs/dbraw/zinc/67/91/81/951679181.db2.gz KIANSPDGUAPJED-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@H](CNC(=O)c1cc(C#N)c[nH]1)C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001575079549 951693881 /nfs/dbraw/zinc/69/38/81/951693881.db2.gz QWXBOPCUKHJYHI-NSHDSACASA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@H](CNC(=O)c1cc(C#N)c[nH]1)C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001575079549 951693886 /nfs/dbraw/zinc/69/38/86/951693886.db2.gz QWXBOPCUKHJYHI-NSHDSACASA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@](C[NH2+]Cc1ccc(C#N)cc1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575101660 951861872 /nfs/dbraw/zinc/86/18/72/951861872.db2.gz HZYKQLNFNADDPC-HXUWFJFHSA-N 0 3 390.451 1.755 20 30 GDEDHN C[C@](C[NH2+]Cc1ccc(C#N)cc1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575101660 951861878 /nfs/dbraw/zinc/86/18/78/951861878.db2.gz HZYKQLNFNADDPC-HXUWFJFHSA-N 0 3 390.451 1.755 20 30 GDEDHN C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]Cc1ccc(C#N)cc1F ZINC001575104038 951880193 /nfs/dbraw/zinc/88/01/93/951880193.db2.gz XBFJYJMCJAYLJJ-NSHDSACASA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]Cc1ccc(C#N)cc1F ZINC001575104038 951880200 /nfs/dbraw/zinc/88/02/00/951880200.db2.gz XBFJYJMCJAYLJJ-NSHDSACASA-N 0 3 382.403 1.361 20 30 GDEDHN N#Cc1cc(Cl)ccc1S(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1 ZINC000157084227 531206057 /nfs/dbraw/zinc/20/60/57/531206057.db2.gz JCPGKBDKSBEXDA-GFCCVEGCSA-N 0 3 384.889 1.077 20 30 GDEDHN N#Cc1cc(Br)cnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000450310899 531492621 /nfs/dbraw/zinc/49/26/21/531492621.db2.gz BXSGERMANVGYQW-UHFFFAOYSA-N 0 3 378.274 1.460 20 30 GDEDHN N#Cc1cc(NC(=O)C(=O)N[C@@H](CN)C2CCCC2)ccc1Br ZINC000415824134 531537816 /nfs/dbraw/zinc/53/78/16/531537816.db2.gz UFAQRVBMXWDITG-AWEZNQCLSA-N 0 3 379.258 1.893 20 30 GDEDHN CN([C@@H](CN)C(F)(F)F)S(=O)(=O)c1cccc(Br)c1C#N ZINC000596051881 531905372 /nfs/dbraw/zinc/90/53/72/531905372.db2.gz QHUYGINMZJIOMV-JTQLQIEISA-N 0 3 386.193 1.831 20 30 GDEDHN CS(=O)(=O)c1ccc(CNC[C@@H](O)CC2(C#N)CCOCC2)cc1Cl ZINC000600734946 532053102 /nfs/dbraw/zinc/05/31/02/532053102.db2.gz RWJXZJWTPFGNNZ-AWEZNQCLSA-N 0 3 386.901 1.904 20 30 GDEDHN N#Cc1ccc(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cc1Cl ZINC000608867359 532105830 /nfs/dbraw/zinc/10/58/30/532105830.db2.gz QEKGGHVEVAIJQN-CYBMUJFWSA-N 0 3 384.889 1.077 20 30 GDEDHN O=C(N[C@@H]1CN(c2ccc(Br)cc2)C1=O)[C@H]1CN2CCN1CCC2 ZINC000329273790 532100572 /nfs/dbraw/zinc/10/05/72/532100572.db2.gz KDKODXYACRHLDE-HUUCEWRRSA-N 0 3 393.285 1.511 20 30 GDEDHN CN(C)[C@@]1(CNC(=O)Nc2nc(CN3CCOCC3)cs2)CCSC1 ZINC000330163197 532116142 /nfs/dbraw/zinc/11/61/42/532116142.db2.gz SOCUVZNKDCTLFV-MRXNPFEDSA-N 0 3 385.559 1.739 20 30 GDEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)c2ccc(Br)cn2)CC1 ZINC000286828420 532179926 /nfs/dbraw/zinc/17/99/26/532179926.db2.gz WYEQIOLLNGIBHB-LBPRGKRZSA-N 0 3 395.301 1.788 20 30 GDEDHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000332550910 532194277 /nfs/dbraw/zinc/19/42/77/532194277.db2.gz JQSWBDVFXNBJDJ-AAEUAGOBSA-N 0 3 391.269 1.954 20 30 GDEDHN C#CCN1CCC(C(=O)N[C@@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000825614192 601740247 /nfs/dbraw/zinc/74/02/47/601740247.db2.gz IJUCTJJXPDHGJD-QFIPXVFZSA-N 0 3 383.492 1.567 20 30 GDEDHN C#CCN1CCC(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000825614192 601740249 /nfs/dbraw/zinc/74/02/49/601740249.db2.gz IJUCTJJXPDHGJD-QFIPXVFZSA-N 0 3 383.492 1.567 20 30 GDEDHN Cc1cc(S(=O)(=O)C(C)C(=O)NC(=O)NCC(F)(F)F)ccc1C#N ZINC000424198563 646162107 /nfs/dbraw/zinc/16/21/07/646162107.db2.gz BOGLIZCOBFNACW-SECBINFHSA-N 0 3 377.344 1.417 20 30 GDEDHN N#Cc1ccc(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)c(Cl)c1 ZINC000503500988 648189164 /nfs/dbraw/zinc/18/91/64/648189164.db2.gz CEZVQNSKFIQTCH-ZDUSSCGKSA-N 0 3 384.889 1.077 20 30 GDEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)NCC(=O)NCC#N ZINC000511908931 648390425 /nfs/dbraw/zinc/39/04/25/648390425.db2.gz GFOLAVKSLTUQMZ-UHFFFAOYSA-N 0 3 396.289 1.162 20 30 GDEDHN N#CCCCC[C@H](N)C(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000594444741 652285531 /nfs/dbraw/zinc/28/55/31/652285531.db2.gz CHMBVVVHZXQTAQ-GJZGRUSLSA-N 0 3 393.285 1.860 20 30 GDEDHN CN(C(=O)[C@H](N)CCCCC#N)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000594445864 652286067 /nfs/dbraw/zinc/28/60/67/652286067.db2.gz LQWHCBUJWCARFP-KGLIPLIRSA-N 0 3 381.274 1.845 20 30 GDEDHN N#CC(C(=O)CCSc1ccccc1F)C(=O)N1CCS(=O)(=O)CC1 ZINC000732910809 654493086 /nfs/dbraw/zinc/49/30/86/654493086.db2.gz SMQQLCMUXWWGOP-GFCCVEGCSA-N 0 3 384.454 1.274 20 30 GDEDHN CS(=O)(=O)N[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000735077665 654549567 /nfs/dbraw/zinc/54/95/67/654549567.db2.gz DKLXYXQSZRXARW-NWDGAFQWSA-N 0 3 378.479 1.096 20 30 GDEDHN C[C@H](Sc1nncn1C)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786533568 654942929 /nfs/dbraw/zinc/94/29/29/654942929.db2.gz FPYYBECDEYXJDU-GWCFXTLKSA-N 0 3 377.857 1.974 20 30 GDEDHN CN(CC(=O)C(C#N)C(=O)NC1CC1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796793955 655220924 /nfs/dbraw/zinc/22/09/24/655220924.db2.gz RIMMDLDYODHZDQ-LLVKDONJSA-N 0 3 395.213 1.781 20 30 GDEDHN C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCN2C(C)(C)C)s1 ZINC000824362135 655474463 /nfs/dbraw/zinc/47/44/63/655474463.db2.gz ZALIJWANCBZVAT-CYBMUJFWSA-N 0 3 385.555 1.744 20 30 GDEDHN CCN(CC)CC(=O)N1CCN(c2ncc(C#N)cc2Br)CC1 ZINC000881917669 656992710 /nfs/dbraw/zinc/99/27/10/656992710.db2.gz MDHDQHULFBHSCP-UHFFFAOYSA-N 0 3 380.290 1.706 20 30 GDEDHN C[C@@H](CNC(=O)Nc1ccc(Br)c(C#N)n1)CN1CCN(C)CC1 ZINC000883079922 657268090 /nfs/dbraw/zinc/26/80/90/657268090.db2.gz KHELZCGEDPYRDX-LBPRGKRZSA-N 0 3 395.305 1.721 20 30 GDEDHN C=CCN1CCC(NC(=O)Nc2cnn(C)c2I)CC1 ZINC000933731614 657303348 /nfs/dbraw/zinc/30/33/48/657303348.db2.gz DSZDTMZLKCFIAF-UHFFFAOYSA-N 0 3 389.241 1.797 20 30 GDEDHN N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@@H]1C[NH2+]CCC1(F)F ZINC000886898407 657725533 /nfs/dbraw/zinc/72/55/33/657725533.db2.gz ZUSCHHQPCBSKBG-VIFPVBQESA-N 0 3 394.241 1.844 20 30 GDEDHN C#CCO[C@H](C)C(=O)N1CCC(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573286332 946801400 /nfs/dbraw/zinc/80/14/00/946801400.db2.gz ZASJTDHNVWKLBI-OAHLLOKOSA-N 0 3 382.468 1.233 20 30 GDEDHN C#CCO[C@H](C)C(=O)N1CCC(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573286332 946801411 /nfs/dbraw/zinc/80/14/11/946801411.db2.gz ZASJTDHNVWKLBI-OAHLLOKOSA-N 0 3 382.468 1.233 20 30 GDEDHN C#Cc1ccc(C(=O)NC/C=C/C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)cn1 ZINC001573288143 946858227 /nfs/dbraw/zinc/85/82/27/946858227.db2.gz OUQZIQMHKWJZIV-ONEGZZNKSA-N 0 3 391.410 1.458 20 30 GDEDHN C#Cc1cncc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC001573290556 946908578 /nfs/dbraw/zinc/90/85/78/946908578.db2.gz LMAOFHBBPZPLLJ-KUHUBIRLSA-N 0 3 387.447 1.493 20 30 GDEDHN C#Cc1cncc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC001573290556 946908583 /nfs/dbraw/zinc/90/85/83/946908583.db2.gz LMAOFHBBPZPLLJ-KUHUBIRLSA-N 0 3 387.447 1.493 20 30 GDEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573294277 946984144 /nfs/dbraw/zinc/98/41/44/946984144.db2.gz AEURPVCGGXDTON-JLSDUUJJSA-N 0 3 384.484 1.784 20 30 GDEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573294277 946984153 /nfs/dbraw/zinc/98/41/53/946984153.db2.gz AEURPVCGGXDTON-JLSDUUJJSA-N 0 3 384.484 1.784 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1-c1nnn[n-]1)C2 ZINC001573568123 947067501 /nfs/dbraw/zinc/06/75/01/947067501.db2.gz YAAOXMKAQOPJDJ-MGPUTAFESA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1-c1nnn[n-]1)C2 ZINC001573568123 947067511 /nfs/dbraw/zinc/06/75/11/947067511.db2.gz YAAOXMKAQOPJDJ-MGPUTAFESA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001573571765 947102600 /nfs/dbraw/zinc/10/26/00/947102600.db2.gz AQFFEPVVVDBNTJ-SJCJKPOMSA-N 0 3 385.447 1.930 20 30 GDEDHN C[C@@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573575672 947140357 /nfs/dbraw/zinc/14/03/57/947140357.db2.gz ZGOUDRRYPCHJDX-PRTUASRFSA-N 0 3 383.431 1.777 20 30 GDEDHN C[C@@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573575672 947140358 /nfs/dbraw/zinc/14/03/58/947140358.db2.gz ZGOUDRRYPCHJDX-PRTUASRFSA-N 0 3 383.431 1.777 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573309403 947198584 /nfs/dbraw/zinc/19/85/84/947198584.db2.gz ILPPMKYHCGNXHQ-KUHUBIRLSA-N 0 3 388.447 1.271 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573309403 947198593 /nfs/dbraw/zinc/19/85/93/947198593.db2.gz ILPPMKYHCGNXHQ-KUHUBIRLSA-N 0 3 388.447 1.271 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573351601 947617204 /nfs/dbraw/zinc/61/72/04/947617204.db2.gz UAEMZULHHKGRHL-HIEASXQVSA-N 0 3 382.468 1.537 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573351601 947617208 /nfs/dbraw/zinc/61/72/08/947617208.db2.gz UAEMZULHHKGRHL-HIEASXQVSA-N 0 3 382.468 1.537 20 30 GDEDHN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)(NC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001575091267 951771752 /nfs/dbraw/zinc/77/17/52/951771752.db2.gz PKKIFLAVPUIBSK-FQEVSTJZSA-N 0 3 390.451 1.755 20 30 GDEDHN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)(NC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001575091267 951771759 /nfs/dbraw/zinc/77/17/59/951771759.db2.gz PKKIFLAVPUIBSK-FQEVSTJZSA-N 0 3 390.451 1.755 20 30 GDEDHN C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001575104528 951887469 /nfs/dbraw/zinc/88/74/69/951887469.db2.gz DOBGWZSBMHQYJY-NSHDSACASA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001575104528 951887475 /nfs/dbraw/zinc/88/74/75/951887475.db2.gz DOBGWZSBMHQYJY-NSHDSACASA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001571120675 952506411 /nfs/dbraw/zinc/50/64/11/952506411.db2.gz PDCOZECRJAUSBJ-SJKOYZFVSA-N 0 3 376.424 1.317 20 30 GDEDHN C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001571120675 952506414 /nfs/dbraw/zinc/50/64/14/952506414.db2.gz PDCOZECRJAUSBJ-SJKOYZFVSA-N 0 3 376.424 1.317 20 30 GDEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)Cn1cnc(C#N)n1 ZINC000178469805 530721905 /nfs/dbraw/zinc/72/19/05/530721905.db2.gz JZQDLHXBPGUAGN-UHFFFAOYSA-N 0 3 391.273 1.503 20 30 GDEDHN N#Cc1cc(S(=O)(=O)[N-]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1Cl ZINC000261603294 531093178 /nfs/dbraw/zinc/09/31/78/531093178.db2.gz AREVSRVNASOJOW-ZDUSSCGKSA-N 0 3 396.822 1.326 20 30 GDEDHN C=C(C)CN1CCC(NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000290322181 531222942 /nfs/dbraw/zinc/22/29/42/531222942.db2.gz VTRPWKWRVMCSNE-UHFFFAOYSA-N 0 3 385.917 1.775 20 30 GDEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCCOCCS(C)(=O)=O)C(C)C ZINC000266704227 531363306 /nfs/dbraw/zinc/36/33/06/531363306.db2.gz XIEIEYNAHNFKHA-INIZCTEOSA-N 0 3 375.535 1.045 20 30 GDEDHN CC(C#N)C(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000484325012 531417783 /nfs/dbraw/zinc/41/77/83/531417783.db2.gz OXLRVGXRKOKLMU-LBPRGKRZSA-N 0 3 379.258 1.691 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1c(F)ccc(C)c1Br ZINC000293497088 531425414 /nfs/dbraw/zinc/42/54/14/531425414.db2.gz WVLYTRZFYJBUJN-UHFFFAOYSA-N 0 3 384.249 1.906 20 30 GDEDHN N#CC1(C[C@H](O)C[NH2+]CC[N-]S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000600733689 532053033 /nfs/dbraw/zinc/05/30/33/532053033.db2.gz AYBBXNKAPWJJNS-LBPRGKRZSA-N 0 3 375.853 1.402 20 30 GDEDHN CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@@H](N)CCCC#N)s1 ZINC000424119086 532084041 /nfs/dbraw/zinc/08/40/41/532084041.db2.gz CPLJQHBWFUBYNW-AWEZNQCLSA-N 0 3 386.543 1.458 20 30 GDEDHN Cc1c(NC(=O)C(=O)N2CCN3CCC[C@H]3C2)ccc(Br)c1C#N ZINC000332566934 532196011 /nfs/dbraw/zinc/19/60/11/532196011.db2.gz UNYMVNSGXIKPAE-LBPRGKRZSA-N 0 3 391.269 1.874 20 30 GDEDHN C=CC[C@H](CO)CN[C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430698439 532254339 /nfs/dbraw/zinc/25/43/39/532254339.db2.gz VFBUMGWJHMJJRM-QWRGUYRKSA-N 0 3 377.304 1.932 20 30 GDEDHN C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000735397670 598373752 /nfs/dbraw/zinc/37/37/52/598373752.db2.gz BXHFESVLWOTANU-UHFFFAOYSA-N 0 3 383.456 1.270 20 30 GDEDHN C=CCNC(=O)C(C#N)C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000916920378 660203416 /nfs/dbraw/zinc/20/34/16/660203416.db2.gz JKOCYSRYDNSOFB-CYBMUJFWSA-N 0 3 381.479 1.086 20 30 GDEDHN N#Cc1c(Br)cccc1OCC(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000579492174 651862502 /nfs/dbraw/zinc/86/25/02/651862502.db2.gz BWIIZXLPXBYTKR-KRWDZBQOSA-N 0 3 394.269 1.272 20 30 GDEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@@H]1CCS(=O)(=O)C1 ZINC000728172978 654885761 /nfs/dbraw/zinc/88/57/61/654885761.db2.gz LXVIXKAWFUJZSK-CHWSQXEVSA-N 0 3 377.491 1.982 20 30 GDEDHN C#CCN(C)CCCNC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000838622826 655221114 /nfs/dbraw/zinc/22/11/14/655221114.db2.gz PIHFJRGANYWDNT-ZDUSSCGKSA-N 0 3 388.295 1.987 20 30 GDEDHN C#CCN(C)CCCNS(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000815082400 655285972 /nfs/dbraw/zinc/28/59/72/655285972.db2.gz ONUPAXZUFLUDMJ-UHFFFAOYSA-N 0 3 387.299 1.617 20 30 GDEDHN C#CCN(C)CCCNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000818584084 655376813 /nfs/dbraw/zinc/37/68/13/655376813.db2.gz CTLFQXLKVUQTDK-AWEZNQCLSA-N 0 3 392.297 1.873 20 30 GDEDHN C[C@@H]1CS(=O)(=O)CCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000933313940 657271171 /nfs/dbraw/zinc/27/11/71/657271171.db2.gz ZDKMFQSNHYNDSK-OLZOCXBDSA-N 0 3 377.491 1.982 20 30 GDEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883103613 657271315 /nfs/dbraw/zinc/27/13/15/657271315.db2.gz ZGAQIJXSZBFZTN-GFCCVEGCSA-N 0 3 395.305 1.863 20 30 GDEDHN C#CCN(C(=O)CNC(=O)c1ccc(Br)cc1)C1CCN(C)CC1 ZINC000886589135 657678155 /nfs/dbraw/zinc/67/81/55/657678155.db2.gz KVMOEGBSTQDIKE-UHFFFAOYSA-N 0 3 392.297 1.735 20 30 GDEDHN CN(C(=O)c1c[nH]c(C#N)c1)C1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001571298323 946213328 /nfs/dbraw/zinc/21/33/28/946213328.db2.gz CTRBHALGVGPVHE-UHFFFAOYSA-N 0 3 390.451 1.803 20 30 GDEDHN C#CCOCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573287499 946838357 /nfs/dbraw/zinc/83/83/57/946838357.db2.gz CJFFPWUHHDEGNH-QZTJIDSGSA-N 0 3 382.468 1.424 20 30 GDEDHN C#CCOCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573287499 946838359 /nfs/dbraw/zinc/83/83/59/946838359.db2.gz CJFFPWUHHDEGNH-QZTJIDSGSA-N 0 3 382.468 1.424 20 30 GDEDHN C#CCOCCC(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573287882 946849238 /nfs/dbraw/zinc/84/92/38/946849238.db2.gz PYASXKIHDDYPBY-MRXNPFEDSA-N 0 3 386.431 1.126 20 30 GDEDHN C#CCOCCC(=O)N1CCC[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573287882 946849254 /nfs/dbraw/zinc/84/92/54/946849254.db2.gz PYASXKIHDDYPBY-MRXNPFEDSA-N 0 3 386.431 1.126 20 30 GDEDHN C#Cc1ccc(C(=O)NC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C2CC2)nc1 ZINC001573288105 946858764 /nfs/dbraw/zinc/85/87/64/946858764.db2.gz NMCDIPQKYNDGJB-IBGZPJMESA-N 0 3 387.447 1.541 20 30 GDEDHN C#Cc1ccc(C(=O)NC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C2CC2)nc1 ZINC001573288105 946858777 /nfs/dbraw/zinc/85/87/77/946858777.db2.gz NMCDIPQKYNDGJB-IBGZPJMESA-N 0 3 387.447 1.541 20 30 GDEDHN C#Cc1cncc(C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001573291213 946915445 /nfs/dbraw/zinc/91/54/45/946915445.db2.gz AJDRZCMUPKJIEJ-LSDHHAIUSA-N 0 3 389.463 1.930 20 30 GDEDHN C#Cc1cncc(C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573291213 946915455 /nfs/dbraw/zinc/91/54/55/946915455.db2.gz AJDRZCMUPKJIEJ-LSDHHAIUSA-N 0 3 389.463 1.930 20 30 GDEDHN C=C(Br)C[NH2+]C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573293320 946953905 /nfs/dbraw/zinc/95/39/05/946953905.db2.gz SKGBHOAOKCFFHC-SNVBAGLBSA-N 0 3 380.250 1.155 20 30 GDEDHN C[C@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573570160 947083876 /nfs/dbraw/zinc/08/38/76/947083876.db2.gz LGUGXCJNGXDQLT-NFAWXSAZSA-N 0 3 385.447 1.882 20 30 GDEDHN C=C[C@](C)(O)CC(=O)NC1(C[NH2+]Cc2ccccc2-c2nnn[n-]2)CCCC1 ZINC001573309978 947212474 /nfs/dbraw/zinc/21/24/74/947212474.db2.gz QPDHROPYQQOYQP-IBGZPJMESA-N 0 3 384.484 1.712 20 30 GDEDHN C=C[C@](C)(O)CC(=O)NC1(C[NH2+]Cc2ccccc2-c2nn[n-]n2)CCCC1 ZINC001573309978 947212484 /nfs/dbraw/zinc/21/24/84/947212484.db2.gz QPDHROPYQQOYQP-IBGZPJMESA-N 0 3 384.484 1.712 20 30 GDEDHN C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573335844 947490375 /nfs/dbraw/zinc/49/03/75/947490375.db2.gz FHXOJPWNFRKKIT-BPLDGKMQSA-N 0 3 388.447 1.724 20 30 GDEDHN C=CCCO[C@H](C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573335844 947490385 /nfs/dbraw/zinc/49/03/85/947490385.db2.gz FHXOJPWNFRKKIT-BPLDGKMQSA-N 0 3 388.447 1.724 20 30 GDEDHN C=CCOCCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C[C@@H]1C ZINC001573348120 947578623 /nfs/dbraw/zinc/57/86/23/947578623.db2.gz MHZOQXWYAPIVMQ-YJBOKZPZSA-N 0 3 384.484 1.929 20 30 GDEDHN C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001342285247 948507521 /nfs/dbraw/zinc/50/75/21/948507521.db2.gz ZFKNIYSOVNSGAJ-DLBZAZTESA-N 0 3 391.483 1.842 20 30 GDEDHN C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001342285247 948507526 /nfs/dbraw/zinc/50/75/26/948507526.db2.gz ZFKNIYSOVNSGAJ-DLBZAZTESA-N 0 3 391.483 1.842 20 30 GDEDHN C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001342285247 948507531 /nfs/dbraw/zinc/50/75/31/948507531.db2.gz ZFKNIYSOVNSGAJ-DLBZAZTESA-N 0 3 391.483 1.842 20 30 GDEDHN C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001342285247 948507537 /nfs/dbraw/zinc/50/75/37/948507537.db2.gz ZFKNIYSOVNSGAJ-DLBZAZTESA-N 0 3 391.483 1.842 20 30 GDEDHN C[C@H](NC(=O)C#CC1CC1)[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001575248099 949061226 /nfs/dbraw/zinc/06/12/26/949061226.db2.gz NIZHPLOLRMIFTP-KXBFYZLASA-N 0 3 378.480 1.997 20 30 GDEDHN C[C@H](NC(=O)C#CC1CC1)[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575248099 949061261 /nfs/dbraw/zinc/06/12/61/949061261.db2.gz NIZHPLOLRMIFTP-KXBFYZLASA-N 0 3 378.480 1.997 20 30 GDEDHN C[C@H](NC(=O)C#CC1CC1)[C@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001575248099 949061209 /nfs/dbraw/zinc/06/12/09/949061209.db2.gz NIZHPLOLRMIFTP-KXBFYZLASA-N 0 3 378.480 1.997 20 30 GDEDHN C[C@H](NC(=O)C#CC1CC1)[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575248099 949061243 /nfs/dbraw/zinc/06/12/43/949061243.db2.gz NIZHPLOLRMIFTP-KXBFYZLASA-N 0 3 378.480 1.997 20 30 GDEDHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)c1cc(C#N)c[nH]1 ZINC001575107064 951911686 /nfs/dbraw/zinc/91/16/86/951911686.db2.gz YBVUJWOPTJYJPL-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)c1cc(C#N)c[nH]1 ZINC001575107064 951911688 /nfs/dbraw/zinc/91/16/88/951911688.db2.gz YBVUJWOPTJYJPL-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@@](C[NH2+]Cc1ccccc1-c1nnn[n-]1)(NC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001575115146 951963474 /nfs/dbraw/zinc/96/34/74/951963474.db2.gz VAQVIJBJVIDNNS-FQEVSTJZSA-N 0 3 390.451 1.755 20 30 GDEDHN C[C@@](C[NH2+]Cc1ccccc1-c1nn[n-]n1)(NC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001575115146 951963479 /nfs/dbraw/zinc/96/34/79/951963479.db2.gz VAQVIJBJVIDNNS-FQEVSTJZSA-N 0 3 390.451 1.755 20 30 GDEDHN COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)cc1-c1nnn[n-]1 ZINC001571233368 953192422 /nfs/dbraw/zinc/19/24/22/953192422.db2.gz SZCNKHUOXMXHBI-UMVBOHGHSA-N 0 3 383.456 1.219 20 30 GDEDHN COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C)cc1-c1nn[n-]n1 ZINC001571233368 953192425 /nfs/dbraw/zinc/19/24/25/953192425.db2.gz SZCNKHUOXMXHBI-UMVBOHGHSA-N 0 3 383.456 1.219 20 30 GDEDHN C=CCNc1nnc(S(=O)(=O)C(C)C(=O)NCc2ccc(F)cc2)s1 ZINC000479000953 531351114 /nfs/dbraw/zinc/35/11/14/531351114.db2.gz OUXJKIPIQOTMIN-JTQLQIEISA-N 0 3 384.458 1.754 20 30 GDEDHN N#Cc1ccc(OCC(=O)NCCCN2CCC(O)CC2)cc1Br ZINC000449937622 531482124 /nfs/dbraw/zinc/48/21/24/531482124.db2.gz ZDDQYCUSSLAHNI-UHFFFAOYSA-N 0 3 396.285 1.663 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCS(=O)(=O)CC2)cc1 ZINC000588289041 531651355 /nfs/dbraw/zinc/65/13/55/531651355.db2.gz MTZUFCVDCGIFCM-LBPRGKRZSA-N 0 3 385.467 1.025 20 30 GDEDHN C#CCN(C)CCCNC(=O)NC[C@@H](O)COc1ccccc1Br ZINC000297218973 531770220 /nfs/dbraw/zinc/77/02/20/531770220.db2.gz FARLYNZXHZGWIV-CQSZACIVSA-N 0 3 398.301 1.443 20 30 GDEDHN CN(C)C[C@@](C)(O)CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592780400 531799189 /nfs/dbraw/zinc/79/91/89/531799189.db2.gz VMMMWMHFUUXIAZ-KRWDZBQOSA-N 0 3 395.301 1.186 20 30 GDEDHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1ccc(Br)cc1C#N ZINC000592872838 531806698 /nfs/dbraw/zinc/80/66/98/531806698.db2.gz MHIJLRULGAAACF-LLVKDONJSA-N 0 3 379.258 1.513 20 30 GDEDHN CCCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000595193862 531870090 /nfs/dbraw/zinc/87/00/90/531870090.db2.gz DOGDXMWGTGSILV-CYBMUJFWSA-N 0 3 379.258 1.860 20 30 GDEDHN C=CCS(=O)(=O)CCN[C@H](C)C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000375077265 532146896 /nfs/dbraw/zinc/14/68/96/532146896.db2.gz ACEBJMSVRKEGAK-HUUCEWRRSA-N 0 3 376.519 1.591 20 30 GDEDHN CC(C)NC(=O)C(C#N)C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000131067859 644743148 /nfs/dbraw/zinc/74/31/48/644743148.db2.gz CGJMKGNCBFXNQX-VIFPVBQESA-N 0 3 386.271 1.816 20 30 GDEDHN CC(C)NC(=O)C(C#N)C(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000131066171 644743168 /nfs/dbraw/zinc/74/31/68/644743168.db2.gz VJMCPDYWNACMSF-IUCAKERBSA-N 0 3 386.271 1.862 20 30 GDEDHN COCCCNC(=O)C(C#N)C(=O)Cc1cc(OC)ccc1Br ZINC000179456096 644932720 /nfs/dbraw/zinc/93/27/20/644932720.db2.gz QCCZFMXRAOKTOA-ZDUSSCGKSA-N 0 3 383.242 1.862 20 30 GDEDHN CN(C)CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000330487281 645366448 /nfs/dbraw/zinc/36/64/48/645366448.db2.gz GUVRLXDEGHWRBO-UHFFFAOYSA-N 0 3 384.933 1.858 20 30 GDEDHN CN(C)C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)CCO1 ZINC000330995016 645449357 /nfs/dbraw/zinc/44/93/57/645449357.db2.gz LUDVPAJKATVVQK-GFCCVEGCSA-N 0 3 375.878 1.551 20 30 GDEDHN N#CCCCC[C@H](N)C(=O)NC[C@H](O)COc1ccccc1Br ZINC000594433788 652284282 /nfs/dbraw/zinc/28/42/82/652284282.db2.gz SRNMNMWRDSGBBL-JSGCOSHPSA-N 0 3 384.274 1.716 20 30 GDEDHN N#Cc1c(Br)cccc1OCC(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000599941697 652519581 /nfs/dbraw/zinc/51/95/81/652519581.db2.gz XHTYFRYTWWKZIN-QWHCGFSZSA-N 0 3 394.269 1.367 20 30 GDEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1nccn2c(Br)cnc12 ZINC000770110712 654499299 /nfs/dbraw/zinc/49/92/99/654499299.db2.gz STOCROGRAVHLGJ-SECBINFHSA-N 0 3 385.181 1.848 20 30 GDEDHN Cc1c(Br)cc(C(=O)C(C#N)C(=O)c2nccn2C)c(=O)n1C ZINC000774144564 654613360 /nfs/dbraw/zinc/61/33/60/654613360.db2.gz YHAZGGXPXJNSCN-JTQLQIEISA-N 0 3 377.198 1.395 20 30 GDEDHN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)C(C#N)c2ccncn2)s1 ZINC000760336221 655109154 /nfs/dbraw/zinc/10/91/54/655109154.db2.gz XJFXUHUEZZTPHS-OCCSQVGLSA-N 0 3 376.463 1.876 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)N1CCc2ccc(Br)cc21 ZINC000815861356 655306904 /nfs/dbraw/zinc/30/69/04/655306904.db2.gz DSLLVLSEIWTWQV-UHFFFAOYSA-N 0 3 378.270 1.410 20 30 GDEDHN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000818357249 655373116 /nfs/dbraw/zinc/37/31/16/655373116.db2.gz XOGZDYKEYANCQO-VNHYZAJKSA-N 0 3 385.511 1.755 20 30 GDEDHN N#Cc1ncc(Br)cc1N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000853454728 655640015 /nfs/dbraw/zinc/64/00/15/655640015.db2.gz XHXNBXDGQGCYIS-CQSZACIVSA-N 0 3 378.274 1.634 20 30 GDEDHN C=CCN1CCC(NC(=O)C(=O)NCc2ncc(Br)s2)CC1 ZINC000875182620 656517607 /nfs/dbraw/zinc/51/76/07/656517607.db2.gz TWMIXOSBSFQSHG-UHFFFAOYSA-N 0 3 387.303 1.288 20 30 GDEDHN N#Cc1ccc(S(=O)(=O)CCNCC[C@@H]2CC[C@H](C(F)(F)F)O2)nc1 ZINC000905556195 659464468 /nfs/dbraw/zinc/46/44/68/659464468.db2.gz LMAIEBRBEZMJIO-QWHCGFSZSA-N 0 3 377.388 1.817 20 30 GDEDHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)Cc1csc(C#N)c1 ZINC000914030644 660111731 /nfs/dbraw/zinc/11/17/31/660111731.db2.gz CFKKNZOKBGUOIE-MRXNPFEDSA-N 0 3 384.571 1.797 20 30 GDEDHN N#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)[nH]1 ZINC001571298587 946221367 /nfs/dbraw/zinc/22/13/67/946221367.db2.gz HGQUVUOREXIMTJ-NVXWUHKLSA-N 0 3 390.451 1.755 20 30 GDEDHN N#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)[nH]1 ZINC001571298587 946221378 /nfs/dbraw/zinc/22/13/78/946221378.db2.gz HGQUVUOREXIMTJ-NVXWUHKLSA-N 0 3 390.451 1.755 20 30 GDEDHN N#Cc1cc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC001571299196 946243221 /nfs/dbraw/zinc/24/32/21/946243221.db2.gz OXZFAFSJGQKVDD-GOSISDBHSA-N 0 3 390.451 1.851 20 30 GDEDHN N#Cc1cc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC001571299196 946243233 /nfs/dbraw/zinc/24/32/33/946243233.db2.gz OXZFAFSJGQKVDD-GOSISDBHSA-N 0 3 390.451 1.851 20 30 GDEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)nc1 ZINC001573289681 946888016 /nfs/dbraw/zinc/88/80/16/946888016.db2.gz BDJRRSCRYGLVII-SAABIXHNSA-N 0 3 387.447 1.541 20 30 GDEDHN C#Cc1ccc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)nc1 ZINC001573289681 946888025 /nfs/dbraw/zinc/88/80/25/946888025.db2.gz BDJRRSCRYGLVII-SAABIXHNSA-N 0 3 387.447 1.541 20 30 GDEDHN C#Cc1cncc(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)[C@@H]2C)c1 ZINC001573292251 946931605 /nfs/dbraw/zinc/93/16/05/946931605.db2.gz QVAXOVCBWUHKSC-IFXJQAMLSA-N 0 3 387.447 1.636 20 30 GDEDHN C#Cc1cncc(C(=O)N2CC[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)[C@@H]2C)c1 ZINC001573292251 946931607 /nfs/dbraw/zinc/93/16/07/946931607.db2.gz QVAXOVCBWUHKSC-IFXJQAMLSA-N 0 3 387.447 1.636 20 30 GDEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573295860 947032018 /nfs/dbraw/zinc/03/20/18/947032018.db2.gz VCHUKEOMGGUJBF-FYOYPEGLSA-N 0 3 396.495 1.832 20 30 GDEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573295860 947032028 /nfs/dbraw/zinc/03/20/28/947032028.db2.gz VCHUKEOMGGUJBF-FYOYPEGLSA-N 0 3 396.495 1.832 20 30 GDEDHN C[C@H](C#N)C(=O)N[C@@H](C)C1CC[NH+](Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573585796 947268128 /nfs/dbraw/zinc/26/81/28/947268128.db2.gz WRTJHVIKPXVLNC-OLZOCXBDSA-N 0 3 385.447 1.882 20 30 GDEDHN C=CCOCCCC(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C[C@H]1C ZINC001573348118 947580014 /nfs/dbraw/zinc/58/00/14/947580014.db2.gz MHZOQXWYAPIVMQ-QAPCUYQASA-N 0 3 384.484 1.929 20 30 GDEDHN C=CCOCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573349150 947591678 /nfs/dbraw/zinc/59/16/78/947591678.db2.gz ZIXOFPGOMBYRGR-WMLDXEAASA-N 0 3 385.472 1.324 20 30 GDEDHN C=CCOCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573349150 947591688 /nfs/dbraw/zinc/59/16/88/947591688.db2.gz ZIXOFPGOMBYRGR-WMLDXEAASA-N 0 3 385.472 1.324 20 30 GDEDHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575905429 950294961 /nfs/dbraw/zinc/29/49/61/950294961.db2.gz CJSIMSNERYOXOT-WBMJQRKESA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@@H](C[C@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574530725 950996636 /nfs/dbraw/zinc/99/66/36/950996636.db2.gz WHNRHHRKNDGTSC-STQMWFEESA-N 0 3 378.440 1.753 20 30 GDEDHN C[C@@H](C[C@H](C)[NH2+]Cc1cccc(C#N)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574530725 950996656 /nfs/dbraw/zinc/99/66/56/950996656.db2.gz WHNRHHRKNDGTSC-STQMWFEESA-N 0 3 378.440 1.753 20 30 GDEDHN C[C@H](CNC(=O)c1c[nH]c(C#N)c1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575101733 951864297 /nfs/dbraw/zinc/86/42/97/951864297.db2.gz IYTJNJMFXAVVEX-NSHDSACASA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@H](CNC(=O)c1c[nH]c(C#N)c1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575101733 951864305 /nfs/dbraw/zinc/86/43/05/951864305.db2.gz IYTJNJMFXAVVEX-NSHDSACASA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)(NC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC001575105811 951898114 /nfs/dbraw/zinc/89/81/14/951898114.db2.gz NVFDWFWBGJPFEA-HXUWFJFHSA-N 0 3 390.451 1.755 20 30 GDEDHN C[C@](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)(NC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC001575105811 951898120 /nfs/dbraw/zinc/89/81/20/951898120.db2.gz NVFDWFWBGJPFEA-HXUWFJFHSA-N 0 3 390.451 1.755 20 30 GDEDHN N#Cc1c[nH]c(C(=O)N2CCC[C@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC001571120499 952505454 /nfs/dbraw/zinc/50/54/54/952505454.db2.gz OBMQNVQTAHGWTA-INIZCTEOSA-N 0 3 376.424 1.461 20 30 GDEDHN N#Cc1c[nH]c(C(=O)N2CCC[C@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC001571120499 952505456 /nfs/dbraw/zinc/50/54/56/952505456.db2.gz OBMQNVQTAHGWTA-INIZCTEOSA-N 0 3 376.424 1.461 20 30 GDEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000181277047 530780959 /nfs/dbraw/zinc/78/09/59/530780959.db2.gz GMQCRDVJKGBUTJ-JTQLQIEISA-N 0 3 386.836 1.665 20 30 GDEDHN CN1CC=C(CNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000293767195 531442104 /nfs/dbraw/zinc/44/21/04/531442104.db2.gz PIPLYMLDNDFZLV-UHFFFAOYSA-N 0 3 377.242 1.637 20 30 GDEDHN C#CCN(C)CCCNC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000297027408 531750393 /nfs/dbraw/zinc/75/03/93/531750393.db2.gz VSXRIKPGSYMLRG-CQSZACIVSA-N 0 3 381.274 1.230 20 30 GDEDHN C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)cc1 ZINC000270407320 531866089 /nfs/dbraw/zinc/86/60/89/531866089.db2.gz AHFZOMHUMSMQMF-CVEARBPZSA-N 0 3 383.539 1.269 20 30 GDEDHN CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1Br)C1CC1 ZINC000419693757 531958006 /nfs/dbraw/zinc/95/80/06/531958006.db2.gz IMRWYEGCTAAYRT-ZDUSSCGKSA-N 0 3 379.258 1.716 20 30 GDEDHN CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@@H](N)CCCC#N ZINC000424145605 532084399 /nfs/dbraw/zinc/08/43/99/532084399.db2.gz VEHCDEZUJRWXNT-HNNXBMFYSA-N 0 3 395.301 1.935 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC2([S@@](C)=O)CCC2)cc1 ZINC000287530831 532220814 /nfs/dbraw/zinc/22/08/14/532220814.db2.gz ISMIUHJIKWCJMG-OIRASMEMSA-N 0 3 383.495 1.795 20 30 GDEDHN CN(C)C1(CNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CCC1 ZINC000289291126 532320661 /nfs/dbraw/zinc/32/06/61/532320661.db2.gz UPJJYEFJXNDIHR-UHFFFAOYSA-N 0 3 379.258 1.860 20 30 GDEDHN COc1cc(-c2nn[n-]n2)ccc1CON=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000826172911 608325666 /nfs/dbraw/zinc/32/56/66/608325666.db2.gz DCDCANKEDVSENG-UHFFFAOYSA-N 0 3 381.440 1.774 20 30 GDEDHN CNC(=O)C(C#N)C(=O)CCCOc1ccc(I)cc1 ZINC000121406087 644678931 /nfs/dbraw/zinc/67/89/31/644678931.db2.gz DGNPMRBAIRCLSA-GFCCVEGCSA-N 0 3 386.189 1.905 20 30 GDEDHN CNC(=O)C(C#N)C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000121411576 644680051 /nfs/dbraw/zinc/68/00/51/644680051.db2.gz YHIYUOIGRPHJDF-QMMMGPOBSA-N 0 3 383.227 1.948 20 30 GDEDHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000592258203 652179415 /nfs/dbraw/zinc/17/94/15/652179415.db2.gz MZWJHIYXPSZKEA-NSHDSACASA-N 0 3 394.273 1.904 20 30 GDEDHN N#CCCCC[C@@H](N)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000594427353 652283561 /nfs/dbraw/zinc/28/35/61/652283561.db2.gz IMELZLZJRSSPJY-CQSZACIVSA-N 0 3 384.527 1.429 20 30 GDEDHN CN1CCC[C@@H]1C(=O)N1CCN(c2cc(C#N)c(Br)cn2)CC1 ZINC000603312976 652696936 /nfs/dbraw/zinc/69/69/36/652696936.db2.gz BMOBHCHNYMMHQD-CQSZACIVSA-N 0 3 378.274 1.459 20 30 GDEDHN N#CC(C(=O)CCSc1ccc(F)cc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000732909424 654493045 /nfs/dbraw/zinc/49/30/45/654493045.db2.gz BLKINJUANYBMFP-AWEZNQCLSA-N 0 3 384.454 1.274 20 30 GDEDHN Cc1nc(Cl)cc(NN=Cc2c(Cl)nc(N)nc2N2CCOCC2)n1 ZINC000741763590 654692105 /nfs/dbraw/zinc/69/21/05/654692105.db2.gz BFLNUAIAFDRBMU-UHFFFAOYSA-N 0 3 383.243 1.747 20 30 GDEDHN C[C@H](Sc1nncn1C)C(=O)C(C#N)C(=O)NCc1cccc(Cl)c1 ZINC000786533569 654942986 /nfs/dbraw/zinc/94/29/86/654942986.db2.gz FPYYBECDEYXJDU-GXFFZTMASA-N 0 3 377.857 1.974 20 30 GDEDHN C[C@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CCS(=O)(=O)C1 ZINC000763898877 655204366 /nfs/dbraw/zinc/20/43/66/655204366.db2.gz BUYLMLNXBVUHSJ-STQMWFEESA-N 0 3 377.491 1.839 20 30 GDEDHN C[C@@H](NCC1(CC#N)CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000797586230 655246524 /nfs/dbraw/zinc/24/65/24/655246524.db2.gz AMOZIEPCEFCMLK-CYBMUJFWSA-N 0 3 385.511 1.757 20 30 GDEDHN N#Cc1ccc(CN2CCC3(CC2)C[C@H](O)CNC3=O)c(Br)c1 ZINC000932832926 657226571 /nfs/dbraw/zinc/22/65/71/657226571.db2.gz MBUQXMXFYNOLAW-AWEZNQCLSA-N 0 3 378.270 1.784 20 30 GDEDHN C#CCN(C(=O)CN(C)C(=O)c1ccc(Br)o1)C1CCN(C)CC1 ZINC000886583497 657676695 /nfs/dbraw/zinc/67/66/95/657676695.db2.gz SFSAWLHJPSOPBY-UHFFFAOYSA-N 0 3 396.285 1.670 20 30 GDEDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2nc(Cl)c(C#N)s2)CC1 ZINC000888416249 657901667 /nfs/dbraw/zinc/90/16/67/657901667.db2.gz ZBMMYTLXFZNJIG-JTQLQIEISA-N 0 3 382.877 1.438 20 30 GDEDHN CN1C[C@@H]2CN(S(=O)(=O)c3cc(Br)cc(C#N)c3)C[C@]2(C)C1 ZINC000907556215 659783020 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VNNVZHVLYIEUEL-YJBOKZPZSA-N 0 3 381.484 1.925 20 30 GDEDHN C#CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573283598 946719407 /nfs/dbraw/zinc/71/94/07/946719407.db2.gz VNNVZHVLYIEUEL-YJBOKZPZSA-N 0 3 381.484 1.925 20 30 GDEDHN C#CCO[C@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573285566 946783429 /nfs/dbraw/zinc/78/34/29/946783429.db2.gz IYAWATSUDNPWKI-HIFRSBDPSA-N 0 3 386.431 1.125 20 30 GDEDHN C#Cc1ccc(C(=O)NC/C=C\C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)cn1 ZINC001573288142 946858390 /nfs/dbraw/zinc/85/83/90/946858390.db2.gz OUQZIQMHKWJZIV-ARJAWSKDSA-N 0 3 391.410 1.458 20 30 GDEDHN C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)nc1 ZINC001573290451 946905805 /nfs/dbraw/zinc/90/58/05/946905805.db2.gz YJRAPLMVOGAQQL-AUUYWEPGSA-N 0 3 387.447 1.493 20 30 GDEDHN C#Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)nc1 ZINC001573290451 946905809 /nfs/dbraw/zinc/90/58/09/946905809.db2.gz YJRAPLMVOGAQQL-AUUYWEPGSA-N 0 3 387.447 1.493 20 30 GDEDHN C#Cc1cncc(C(=O)NCC[C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001573292074 946928306 /nfs/dbraw/zinc/92/83/06/946928306.db2.gz OBLVINHDAQRMIU-AWEZNQCLSA-N 0 3 375.436 1.541 20 30 GDEDHN C#Cc1cncc(C(=O)NCC[C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573292074 946928315 /nfs/dbraw/zinc/92/83/15/946928315.db2.gz OBLVINHDAQRMIU-AWEZNQCLSA-N 0 3 375.436 1.541 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573567940 947059003 /nfs/dbraw/zinc/05/90/03/947059003.db2.gz VDVZHIOJONVWEV-DZGCQCFKSA-N 0 3 385.447 1.836 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573567940 947059015 /nfs/dbraw/zinc/05/90/15/947059015.db2.gz VDVZHIOJONVWEV-DZGCQCFKSA-N 0 3 385.447 1.836 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC[C@H](C[N@H+](C)Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573567940 947059028 /nfs/dbraw/zinc/05/90/28/947059028.db2.gz VDVZHIOJONVWEV-DZGCQCFKSA-N 0 3 385.447 1.836 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC[C@H](C[N@@H+](C)Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573567940 947059041 /nfs/dbraw/zinc/05/90/41/947059041.db2.gz VDVZHIOJONVWEV-DZGCQCFKSA-N 0 3 385.447 1.836 20 30 GDEDHN C[C@@H](C#N)C(=O)N1C[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)c(F)c3)C[C@@]2(C)C1 ZINC001573570609 947090798 /nfs/dbraw/zinc/09/07/98/947090798.db2.gz RGKDYGKABFLQDD-CFZJUORYSA-N 0 3 383.431 1.446 20 30 GDEDHN C[C@@H](C#N)C(=O)N1C[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)c(F)c3)C[C@@]2(C)C1 ZINC001573570609 947090807 /nfs/dbraw/zinc/09/08/07/947090807.db2.gz RGKDYGKABFLQDD-CFZJUORYSA-N 0 3 383.431 1.446 20 30 GDEDHN C[C@@H](C#N)C(=O)NCC1(C)CC[NH+](Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573576134 947147163 /nfs/dbraw/zinc/14/71/63/947147163.db2.gz DAFNBCJOHPGTOK-ZDUSSCGKSA-N 0 3 385.447 1.884 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573309130 947192279 /nfs/dbraw/zinc/19/22/79/947192279.db2.gz CXGDNYQTMAYBIH-FOIQADDNSA-N 0 3 384.484 1.474 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573309130 947192283 /nfs/dbraw/zinc/19/22/83/947192283.db2.gz CXGDNYQTMAYBIH-FOIQADDNSA-N 0 3 384.484 1.474 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573309130 947192287 /nfs/dbraw/zinc/19/22/87/947192287.db2.gz CXGDNYQTMAYBIH-FOIQADDNSA-N 0 3 384.484 1.474 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573309130 947192293 /nfs/dbraw/zinc/19/22/93/947192293.db2.gz CXGDNYQTMAYBIH-FOIQADDNSA-N 0 3 384.484 1.474 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573309380 947198351 /nfs/dbraw/zinc/19/83/51/947198351.db2.gz IDWDHGGTPZSAQI-MGPUTAFESA-N 0 3 384.484 1.522 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573309380 947198357 /nfs/dbraw/zinc/19/83/57/947198357.db2.gz IDWDHGGTPZSAQI-MGPUTAFESA-N 0 3 384.484 1.522 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H](C)[N@H+](CC)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573309816 947210987 /nfs/dbraw/zinc/21/09/87/947210987.db2.gz OWYQZOLGGRITCB-BFUOFWGJSA-N 0 3 390.463 1.660 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573309816 947210997 /nfs/dbraw/zinc/21/09/97/947210997.db2.gz OWYQZOLGGRITCB-BFUOFWGJSA-N 0 3 390.463 1.660 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573310207 947219442 /nfs/dbraw/zinc/21/94/42/947219442.db2.gz UXCCUISLRJIBPK-IFXJQAMLSA-N 0 3 388.447 1.271 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573310207 947219452 /nfs/dbraw/zinc/21/94/52/947219452.db2.gz UXCCUISLRJIBPK-IFXJQAMLSA-N 0 3 388.447 1.271 20 30 GDEDHN C=CCOCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573343625 947561524 /nfs/dbraw/zinc/56/15/24/947561524.db2.gz RCWRTDQKROOFAA-RDJZCZTQSA-N 0 3 388.447 1.583 20 30 GDEDHN 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C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC001574997923 950555481 /nfs/dbraw/zinc/55/54/81/950555481.db2.gz ZHANJOIMLYWHON-GFCCVEGCSA-N 0 3 380.412 1.005 20 30 GDEDHN C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC001574997923 950555492 /nfs/dbraw/zinc/55/54/92/950555492.db2.gz ZHANJOIMLYWHON-GFCCVEGCSA-N 0 3 380.412 1.005 20 30 GDEDHN C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091572 951778343 /nfs/dbraw/zinc/77/83/43/951778343.db2.gz VHPJTPCCYOEZJA-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091572 951778352 /nfs/dbraw/zinc/77/83/52/951778352.db2.gz VHPJTPCCYOEZJA-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN N#Cc1cccc(C[NH2+][C@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001571119864 952495403 /nfs/dbraw/zinc/49/54/03/952495403.db2.gz GWAUCVWIVBJWIL-INIZCTEOSA-N 0 3 376.424 1.461 20 30 GDEDHN 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ZINC000825870584 609383889 /nfs/dbraw/zinc/38/38/89/609383889.db2.gz TXJKVZDCYJZNDK-UHFFFAOYSA-N 0 3 378.396 1.326 20 30 GDEDHN C[NH+](C)CCOc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)ccn1 ZINC000825870584 609383891 /nfs/dbraw/zinc/38/38/91/609383891.db2.gz TXJKVZDCYJZNDK-UHFFFAOYSA-N 0 3 378.396 1.326 20 30 GDEDHN C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)C(C#N)C(=O)NC1CC1 ZINC000129619317 644735263 /nfs/dbraw/zinc/73/52/63/644735263.db2.gz JCNDVWZCPVUNML-APPZFPTMSA-N 0 3 384.255 1.616 20 30 GDEDHN C=CCNC(=O)C(C#N)C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000916920379 660203468 /nfs/dbraw/zinc/20/34/68/660203468.db2.gz JKOCYSRYDNSOFB-ZDUSSCGKSA-N 0 3 381.479 1.086 20 30 GDEDHN N#CCN1CCC(NCCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000591736109 652164697 /nfs/dbraw/zinc/16/46/97/652164697.db2.gz JTKTVNLESDIWRJ-UHFFFAOYSA-N 0 3 386.315 1.800 20 30 GDEDHN C=CCCOCCN[C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000773103726 654581573 /nfs/dbraw/zinc/58/15/73/654581573.db2.gz BWMVFEPVSBSNDI-AWEZNQCLSA-N 0 3 390.527 1.656 20 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377.666 1.775 20 30 GDEDHN C[C@](CO)(Cc1ccc(Br)cc1)NCC(=O)NC1(C#N)CCC1 ZINC000933442124 657281608 /nfs/dbraw/zinc/28/16/08/657281608.db2.gz RIRRYJKDNOOXAB-MRXNPFEDSA-N 0 3 380.286 1.895 20 30 GDEDHN C#CCN(C(=O)c1cc(S(=O)(=O)NC)ccc1Cl)C1CCN(C)CC1 ZINC000886587063 657676846 /nfs/dbraw/zinc/67/68/46/657676846.db2.gz FJWIBAQSXVXIOV-UHFFFAOYSA-N 0 3 383.901 1.418 20 30 GDEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@@H]2CCCN2CC(F)(F)F)cc1 ZINC000905567140 659466221 /nfs/dbraw/zinc/46/62/21/659466221.db2.gz YTXBGHIZIYRDME-AWEZNQCLSA-N 0 3 375.416 1.948 20 30 GDEDHN Cc1cnc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c(C=NO)c1 ZINC001164899423 721426819 /nfs/dbraw/zinc/42/68/19/721426819.db2.gz YLAMUFFLDPUMBR-FPOVZHCZSA-N 0 3 387.528 1.964 20 30 GDEDHN N#Cc1cccc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC001571298122 946206002 /nfs/dbraw/zinc/20/60/02/946206002.db2.gz AFAMVKXFPVBYAX-HOTGVXAUSA-N 0 3 390.451 1.755 20 30 GDEDHN N#Cc1cccc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC001571298122 946206009 /nfs/dbraw/zinc/20/60/09/946206009.db2.gz AFAMVKXFPVBYAX-HOTGVXAUSA-N 0 3 390.451 1.755 20 30 GDEDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001571299857 946263468 /nfs/dbraw/zinc/26/34/68/946263468.db2.gz WSTNLCKQLUDVKW-CJNGLKHVSA-N 0 3 390.451 1.849 20 30 GDEDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001571299857 946263481 /nfs/dbraw/zinc/26/34/81/946263481.db2.gz WSTNLCKQLUDVKW-CJNGLKHVSA-N 0 3 390.451 1.849 20 30 GDEDHN C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)nc1 ZINC001573287774 946846261 /nfs/dbraw/zinc/84/62/61/946846261.db2.gz KWZATOCNABJDQY-HNNXBMFYSA-N 0 3 391.410 1.386 20 30 GDEDHN C#Cc1ccc(C(=O)N[C@H](C)C[NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC001573290246 946900659 /nfs/dbraw/zinc/90/06/59/946900659.db2.gz IBPVCEURLCKKQN-CQSZACIVSA-N 0 3 390.447 1.765 20 30 GDEDHN C#Cc1ccc(C(=O)N[C@H](C)C[NH2+]Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC001573290246 946900664 /nfs/dbraw/zinc/90/06/64/946900664.db2.gz IBPVCEURLCKKQN-CQSZACIVSA-N 0 3 390.447 1.765 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001573563703 946985561 /nfs/dbraw/zinc/98/55/61/946985561.db2.gz CIESTQOPQXSBDP-CHWSQXEVSA-N 0 3 385.447 1.882 20 30 GDEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573294560 946991678 /nfs/dbraw/zinc/99/16/78/946991678.db2.gz HUKLGZVOWCXGCF-QYZOEREBSA-N 0 3 396.495 1.881 20 30 GDEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573294560 946991694 /nfs/dbraw/zinc/99/16/94/946991694.db2.gz HUKLGZVOWCXGCF-QYZOEREBSA-N 0 3 396.495 1.881 20 30 GDEDHN C[C@H](C#N)C(=O)NCC1(C)CC[NH+](Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573576132 947147327 /nfs/dbraw/zinc/14/73/27/947147327.db2.gz DAFNBCJOHPGTOK-CYBMUJFWSA-N 0 3 385.447 1.884 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573309219 947193622 /nfs/dbraw/zinc/19/36/22/947193622.db2.gz FDFVKMIFRYVTKH-SGTLLEGYSA-N 0 3 376.436 1.269 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573309219 947193632 /nfs/dbraw/zinc/19/36/32/947193632.db2.gz FDFVKMIFRYVTKH-SGTLLEGYSA-N 0 3 376.436 1.269 20 30 GDEDHN C[C@@H](C#N)C(=O)NCC[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001573584229 947215436 /nfs/dbraw/zinc/21/54/36/947215436.db2.gz RQSAWXTYPZAIQP-GZBFAFLISA-N 0 3 385.447 1.740 20 30 GDEDHN C[C@@H](C#N)C(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001573584229 947215441 /nfs/dbraw/zinc/21/54/41/947215441.db2.gz RQSAWXTYPZAIQP-GZBFAFLISA-N 0 3 385.447 1.740 20 30 GDEDHN C[C@@H](C#N)C(=O)NCC[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001573584229 947215449 /nfs/dbraw/zinc/21/54/49/947215449.db2.gz RQSAWXTYPZAIQP-GZBFAFLISA-N 0 3 385.447 1.740 20 30 GDEDHN C[C@@H](C#N)C(=O)NCC[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001573584229 947215451 /nfs/dbraw/zinc/21/54/51/947215451.db2.gz RQSAWXTYPZAIQP-GZBFAFLISA-N 0 3 385.447 1.740 20 30 GDEDHN C[C@H](C#N)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001573586765 947294264 /nfs/dbraw/zinc/29/42/64/947294264.db2.gz SMKXELWFGAVBCZ-XJKCOSOUSA-N 0 3 385.447 1.930 20 30 GDEDHN C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001342285250 948506986 /nfs/dbraw/zinc/50/69/86/948506986.db2.gz ZFKNIYSOVNSGAJ-IAGOWNOFSA-N 0 3 391.483 1.842 20 30 GDEDHN C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001342285250 948506988 /nfs/dbraw/zinc/50/69/88/948506988.db2.gz ZFKNIYSOVNSGAJ-IAGOWNOFSA-N 0 3 391.483 1.842 20 30 GDEDHN C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001342285250 948506990 /nfs/dbraw/zinc/50/69/90/948506990.db2.gz ZFKNIYSOVNSGAJ-IAGOWNOFSA-N 0 3 391.483 1.842 20 30 GDEDHN C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001342285250 948506995 /nfs/dbraw/zinc/50/69/95/948506995.db2.gz ZFKNIYSOVNSGAJ-IAGOWNOFSA-N 0 3 391.483 1.842 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC2(C1)CC[NH+](Cc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC001571151840 952678872 /nfs/dbraw/zinc/67/88/72/952678872.db2.gz YTGXOQWVKMTIAT-HNNXBMFYSA-N 0 3 379.468 1.841 20 30 GDEDHN C=CCN1CCC(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000171725195 530601767 /nfs/dbraw/zinc/60/17/67/530601767.db2.gz FLMKMALIFNIPHA-UHFFFAOYSA-N 0 3 385.917 1.727 20 30 GDEDHN C=C(C)CN1CCC(NC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC1 ZINC000153115029 531162888 /nfs/dbraw/zinc/16/28/88/531162888.db2.gz DXCIJWGIASCOFV-UHFFFAOYSA-N 0 3 389.880 1.897 20 30 GDEDHN CN(C)CCOCCNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000433874997 531236523 /nfs/dbraw/zinc/23/65/23/531236523.db2.gz NCNZALUCAGUXHX-UHFFFAOYSA-N 0 3 376.276 1.177 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(F)cc(Br)c1F ZINC000293241075 531410574 /nfs/dbraw/zinc/41/05/74/531410574.db2.gz CVEHYMJNFUQJIE-UHFFFAOYSA-N 0 3 388.212 1.737 20 30 GDEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)N1CCCC1 ZINC000558542182 531567407 /nfs/dbraw/zinc/56/74/07/531567407.db2.gz UNBDUQSMFGWCJB-NSHDSACASA-N 0 3 379.258 1.860 20 30 GDEDHN N#CCNC(=O)CNC[C@H](O)COc1ccc(Cl)cc1Br ZINC000591767305 531740033 /nfs/dbraw/zinc/74/00/33/531740033.db2.gz CJUXOTUECHGEMG-JTQLQIEISA-N 0 3 376.638 1.072 20 30 GDEDHN CN([C@@H](CN)C(F)(F)F)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000596051327 531905177 /nfs/dbraw/zinc/90/51/77/531905177.db2.gz MZPNKXVZBHEHJM-JTQLQIEISA-N 0 3 386.193 1.831 20 30 GDEDHN CN([C@H](CN)C(F)(F)F)S(=O)(=O)c1cccc(Br)c1C#N ZINC000596051882 531905264 /nfs/dbraw/zinc/90/52/64/531905264.db2.gz QHUYGINMZJIOMV-SNVBAGLBSA-N 0 3 386.193 1.831 20 30 GDEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000420024980 531997084 /nfs/dbraw/zinc/99/70/84/531997084.db2.gz ATUIMKMYRKUUTN-HNNXBMFYSA-N 0 3 398.276 1.956 20 30 GDEDHN N#CC1(C[C@H](O)CNCCn2cc(Br)ccc2=O)CCOCC1 ZINC000600738912 532053610 /nfs/dbraw/zinc/05/36/10/532053610.db2.gz MJRKMVAVUUGHRK-AWEZNQCLSA-N 0 3 384.274 1.272 20 30 GDEDHN C=CCS(=O)(=O)CCNC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000272846549 532117940 /nfs/dbraw/zinc/11/79/40/532117940.db2.gz NXYQPWCJYIYECQ-UHFFFAOYSA-N 0 3 385.555 1.860 20 30 GDEDHN CN(C)[C@]1(CNC(=O)Nc2nc(CN3CCOCC3)cs2)CCSC1 ZINC000330163196 532116109 /nfs/dbraw/zinc/11/61/09/532116109.db2.gz SOCUVZNKDCTLFV-INIZCTEOSA-N 0 3 385.559 1.739 20 30 GDEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)N(C)C1CC1 ZINC000287479444 532217681 /nfs/dbraw/zinc/21/76/81/532217681.db2.gz FKCLXQMMAUWQJO-SNVBAGLBSA-N 0 3 379.258 1.858 20 30 GDEDHN CNC(=O)C(C#N)C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000121411745 644679757 /nfs/dbraw/zinc/67/97/57/644679757.db2.gz YHIYUOIGRPHJDF-MRVPVSSYSA-N 0 3 383.227 1.948 20 30 GDEDHN CCN1CCN(C[C@H](C)CNS(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000443244147 647193594 /nfs/dbraw/zinc/19/35/94/647193594.db2.gz GOEPESGWFAUMGZ-CQSZACIVSA-N 0 3 384.933 1.764 20 30 GDEDHN C=CCNC(=O)NC(=O)CN[C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000599573013 652509066 /nfs/dbraw/zinc/50/90/66/652509066.db2.gz LCNPTAZNZLGEIR-QGZVFWFLSA-N 0 3 396.285 1.270 20 30 GDEDHN COCCN(C)CCN1C[C@@H](Nc2cc(C#N)c(Br)cn2)CC1=O ZINC000603396994 652710331 /nfs/dbraw/zinc/71/03/31/652710331.db2.gz MXOBMMVFFVDXFS-ZDUSSCGKSA-N 0 3 396.289 1.307 20 30 GDEDHN C[C@H](Oc1cccc(Cl)c1)C(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000732909511 654493032 /nfs/dbraw/zinc/49/30/32/654493032.db2.gz BTJKVZUQQCHOBF-FZMZJTMJSA-N 0 3 384.841 1.073 20 30 GDEDHN CN1CCC(n2c(=O)c(=Cc3ccsc3Cl)sc2=C(C#N)C#N)CC1 ZINC000790426402 655048884 /nfs/dbraw/zinc/04/88/84/655048884.db2.gz ULMJRTCIXANMTM-UHFFFAOYSA-N 0 3 390.921 1.918 20 30 GDEDHN C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)C[C@H](C)S1(=O)=O ZINC000810112000 655151027 /nfs/dbraw/zinc/15/10/27/655151027.db2.gz GQZSUSSZIPRPLW-XQQFMLRXSA-N 0 3 377.491 1.980 20 30 GDEDHN C#CCN(C)CCCNS(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1 ZINC000815083080 655286268 /nfs/dbraw/zinc/28/62/68/655286268.db2.gz OINQSGBGUBJIOZ-UHFFFAOYSA-N 0 3 383.901 1.039 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)N1CCc2c1cccc2Br ZINC000817390798 655351139 /nfs/dbraw/zinc/35/11/39/655351139.db2.gz UUZGHXOPXDVFAD-UHFFFAOYSA-N 0 3 378.270 1.410 20 30 GDEDHN C#CCN(C)CCCNC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000818593390 655376946 /nfs/dbraw/zinc/37/69/46/655376946.db2.gz XMBXJBSPZFYENH-UHFFFAOYSA-N 0 3 391.269 1.230 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000876557919 656614063 /nfs/dbraw/zinc/61/40/63/656614063.db2.gz GHNZMKXHSPRRTO-ZDUSSCGKSA-N 0 3 392.308 1.643 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000876572922 656615117 /nfs/dbraw/zinc/61/51/17/656615117.db2.gz KJAJQBQRGXRNPR-HNNXBMFYSA-N 0 3 385.917 1.947 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 ZINC000876625844 656619165 /nfs/dbraw/zinc/61/91/65/656619165.db2.gz GVCFGNUWFAPQAJ-ZDUSSCGKSA-N 0 3 391.946 1.668 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000876714984 656626171 /nfs/dbraw/zinc/62/61/71/656626171.db2.gz HZNQXXDOFOLBTE-GFCCVEGCSA-N 0 3 381.889 1.912 20 30 GDEDHN N#C[C@@H]1CNCC12CC(C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000884083295 657323914 /nfs/dbraw/zinc/32/39/14/657323914.db2.gz JPNBACAHTWJGJE-UIORMTCPSA-N 0 3 381.885 1.369 20 30 GDEDHN C#CCN(C(=O)c1nn(C)cc1I)C1CCN(C)CC1 ZINC000886572417 657675913 /nfs/dbraw/zinc/67/59/13/657675913.db2.gz LPMXEFHNRZXCDY-UHFFFAOYSA-N 0 3 386.237 1.194 20 30 GDEDHN C#CCN(C(=O)c1nccn2c(Br)cnc12)C1CCN(C)CC1 ZINC000886578913 657676662 /nfs/dbraw/zinc/67/66/62/657676662.db2.gz QVRWMGXYPDRUIY-UHFFFAOYSA-N 0 3 376.258 1.661 20 30 GDEDHN C#CCN(C(=O)c1cnn2cc(Br)cnc12)C1CCN(C)CC1 ZINC000886578646 657676873 /nfs/dbraw/zinc/67/68/73/657676873.db2.gz GJIOAGUQZOGQAV-UHFFFAOYSA-N 0 3 376.258 1.661 20 30 GDEDHN N#Cc1cc2c(nc1N1CCN3C[C@H](OCc4cccnc4)C[C@@H]3C1)CCOC2 ZINC001164875289 721171885 /nfs/dbraw/zinc/17/18/85/721171885.db2.gz KTDXGVFOHQGTDF-WOJBJXKFSA-N 0 3 391.475 1.901 20 30 GDEDHN N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC001571298688 946225773 /nfs/dbraw/zinc/22/57/73/946225773.db2.gz JIFDYTWJGWXNQV-QGZVFWFLSA-N 0 3 390.451 1.851 20 30 GDEDHN N#Cc1c[nH]c(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC001571298688 946225781 /nfs/dbraw/zinc/22/57/81/946225781.db2.gz JIFDYTWJGWXNQV-QGZVFWFLSA-N 0 3 390.451 1.851 20 30 GDEDHN C#CCO[C@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@@]2(C)C1 ZINC001573285862 946789427 /nfs/dbraw/zinc/78/94/27/946789427.db2.gz PNEQVXBSLBUMAH-FPDPHYFHSA-N 0 3 394.479 1.185 20 30 GDEDHN C#CCO[C@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@@]2(C)C1 ZINC001573285862 946789433 /nfs/dbraw/zinc/78/94/33/946789433.db2.gz PNEQVXBSLBUMAH-FPDPHYFHSA-N 0 3 394.479 1.185 20 30 GDEDHN C#CCO[C@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@@]2(C)C1 ZINC001573285862 946789436 /nfs/dbraw/zinc/78/94/36/946789436.db2.gz PNEQVXBSLBUMAH-FPDPHYFHSA-N 0 3 394.479 1.185 20 30 GDEDHN C#CCO[C@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@@]2(C)C1 ZINC001573285862 946789440 /nfs/dbraw/zinc/78/94/40/946789440.db2.gz PNEQVXBSLBUMAH-FPDPHYFHSA-N 0 3 394.479 1.185 20 30 GDEDHN C#Cc1ccc(C(=O)NCCC[N@@H+](C)Cc2ccccc2-c2nnn[n-]2)nc1 ZINC001573288633 946874592 /nfs/dbraw/zinc/87/45/92/946874592.db2.gz SGFXELXBOVGGHR-UHFFFAOYSA-N 0 3 375.436 1.495 20 30 GDEDHN C#Cc1ccc(C(=O)NCCC[N@H+](C)Cc2ccccc2-c2nnn[n-]2)nc1 ZINC001573288633 946874612 /nfs/dbraw/zinc/87/46/12/946874612.db2.gz SGFXELXBOVGGHR-UHFFFAOYSA-N 0 3 375.436 1.495 20 30 GDEDHN C#Cc1ccc(C(=O)NCCC[N@@H+](C)Cc2ccccc2-c2nn[n-]n2)nc1 ZINC001573288633 946874623 /nfs/dbraw/zinc/87/46/23/946874623.db2.gz SGFXELXBOVGGHR-UHFFFAOYSA-N 0 3 375.436 1.495 20 30 GDEDHN C#Cc1ccc(C(=O)NCCC[N@H+](C)Cc2ccccc2-c2nn[n-]n2)nc1 ZINC001573288633 946874640 /nfs/dbraw/zinc/87/46/40/946874640.db2.gz SGFXELXBOVGGHR-UHFFFAOYSA-N 0 3 375.436 1.495 20 30 GDEDHN C=C(Br)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573291832 946924831 /nfs/dbraw/zinc/92/48/31/946924831.db2.gz KBYPNINKMMVCJY-UWVGGRQHSA-N 0 3 382.266 1.590 20 30 GDEDHN C=C(Br)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573291832 946924835 /nfs/dbraw/zinc/92/48/35/946924835.db2.gz KBYPNINKMMVCJY-UWVGGRQHSA-N 0 3 382.266 1.590 20 30 GDEDHN C#Cc1cncc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001573291974 946925955 /nfs/dbraw/zinc/92/59/55/946925955.db2.gz MEWGWMWAUYFHDH-LJQANCHMSA-N 0 3 387.447 1.637 20 30 GDEDHN C#Cc1cncc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573291974 946925963 /nfs/dbraw/zinc/92/59/63/946925963.db2.gz MEWGWMWAUYFHDH-LJQANCHMSA-N 0 3 387.447 1.637 20 30 GDEDHN C#Cc1cncc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3-c3nnn[n-]3)C2)c1 ZINC001573292398 946933056 /nfs/dbraw/zinc/93/30/56/946933056.db2.gz VJLUSJIXLFBFIT-CALCHBBNSA-N 0 3 391.410 1.433 20 30 GDEDHN C#Cc1cncc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3-c3nn[n-]n3)C2)c1 ZINC001573292398 946933059 /nfs/dbraw/zinc/93/30/59/946933059.db2.gz VJLUSJIXLFBFIT-CALCHBBNSA-N 0 3 391.410 1.433 20 30 GDEDHN C=C[C@](C)(O)CC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573310209 947219198 /nfs/dbraw/zinc/21/91/98/947219198.db2.gz UXCCUISLRJIBPK-LIRRHRJNSA-N 0 3 388.447 1.271 20 30 GDEDHN C=C[C@](C)(O)CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573310209 947219208 /nfs/dbraw/zinc/21/92/08/947219208.db2.gz UXCCUISLRJIBPK-LIRRHRJNSA-N 0 3 388.447 1.271 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573310285 947220741 /nfs/dbraw/zinc/22/07/41/947220741.db2.gz WBSJWHRUPVOFBI-XLIONFOSSA-N 0 3 384.484 1.617 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573310285 947220748 /nfs/dbraw/zinc/22/07/48/947220748.db2.gz WBSJWHRUPVOFBI-XLIONFOSSA-N 0 3 384.484 1.617 20 30 GDEDHN C=CCCOCC(=O)N1CCC[C@@H]1CNCc1cc(-c2nn[nH]n2)ccc1F ZINC001573337109 947514074 /nfs/dbraw/zinc/51/40/74/947514074.db2.gz UOXUFVHKSXPXBC-MRXNPFEDSA-N 0 3 388.447 1.679 20 30 GDEDHN C=CCOCC(=O)N[C@H](C)[C@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573343980 947566867 /nfs/dbraw/zinc/56/68/67/947566867.db2.gz VLRMATZHNJYDRK-QAPCUYQASA-N 0 3 384.484 1.786 20 30 GDEDHN C=CCOCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573343980 947566874 /nfs/dbraw/zinc/56/68/74/947566874.db2.gz VLRMATZHNJYDRK-QAPCUYQASA-N 0 3 384.484 1.786 20 30 GDEDHN C=CCOCC(=O)N[C@H](C)[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573343980 947566876 /nfs/dbraw/zinc/56/68/76/947566876.db2.gz VLRMATZHNJYDRK-QAPCUYQASA-N 0 3 384.484 1.786 20 30 GDEDHN C=CCOCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573343980 947566884 /nfs/dbraw/zinc/56/68/84/947566884.db2.gz VLRMATZHNJYDRK-QAPCUYQASA-N 0 3 384.484 1.786 20 30 GDEDHN CC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C(F)(F)F ZINC001573359255 947683018 /nfs/dbraw/zinc/68/30/18/947683018.db2.gz XOMLYDMCYDYJMM-GHMZBOCLSA-N 0 3 381.362 1.058 20 30 GDEDHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575905738 950297484 /nfs/dbraw/zinc/29/74/84/950297484.db2.gz DWZKDEOSZLIIDQ-LRDDRELGSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575905738 950297502 /nfs/dbraw/zinc/29/75/02/950297502.db2.gz DWZKDEOSZLIIDQ-LRDDRELGSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575907800 950340997 /nfs/dbraw/zinc/34/09/97/950340997.db2.gz QWLUYYOMUPIAMF-PXAZEXFGSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575907800 950341017 /nfs/dbraw/zinc/34/10/17/950341017.db2.gz QWLUYYOMUPIAMF-PXAZEXFGSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575080802 951716542 /nfs/dbraw/zinc/71/65/42/951716542.db2.gz NQTSNIWJPQQZDB-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575080802 951716549 /nfs/dbraw/zinc/71/65/49/951716549.db2.gz NQTSNIWJPQQZDB-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)(NC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001575091268 951772152 /nfs/dbraw/zinc/77/21/52/951772152.db2.gz PKKIFLAVPUIBSK-HXUWFJFHSA-N 0 3 390.451 1.755 20 30 GDEDHN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)(NC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC001575091268 951772156 /nfs/dbraw/zinc/77/21/56/951772156.db2.gz PKKIFLAVPUIBSK-HXUWFJFHSA-N 0 3 390.451 1.755 20 30 GDEDHN C[C@H](CNC(=O)c1ccc(C#N)[nH]1)C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001575091379 951775603 /nfs/dbraw/zinc/77/56/03/951775603.db2.gz SAWWLVKUFPOPFF-NSHDSACASA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@H](CNC(=O)c1ccc(C#N)[nH]1)C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1F ZINC001575091379 951775611 /nfs/dbraw/zinc/77/56/11/951775611.db2.gz SAWWLVKUFPOPFF-NSHDSACASA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(C#N)[nH]1 ZINC001575107051 951911651 /nfs/dbraw/zinc/91/16/51/951911651.db2.gz XZDBGMLXXLOGKH-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(C#N)[nH]1 ZINC001575107051 951911655 /nfs/dbraw/zinc/91/16/55/951911655.db2.gz XZDBGMLXXLOGKH-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C=CCN1CCC(NC(=O)CSCc2cc(=O)n3ccsc3n2)CC1 ZINC000264482900 531187644 /nfs/dbraw/zinc/18/76/44/531187644.db2.gz LUAMVZZGBCWCMU-UHFFFAOYSA-N 0 3 378.523 1.756 20 30 GDEDHN CNS(=O)(=O)C1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000264644247 531195411 /nfs/dbraw/zinc/19/54/11/531195411.db2.gz RCYMIXMJDJPGNM-UHFFFAOYSA-N 0 3 384.889 1.554 20 30 GDEDHN CC[NH+]=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCC(O)CC1 ZINC000157326713 531206504 /nfs/dbraw/zinc/20/65/04/531206504.db2.gz LICCWTYESVYGQR-UHFFFAOYSA-N 0 3 394.950 1.102 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(OC)c(Br)c1 ZINC000293275784 531412697 /nfs/dbraw/zinc/41/26/97/531412697.db2.gz FWAWGOIMQSKZSY-UHFFFAOYSA-N 0 3 382.258 1.468 20 30 GDEDHN C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000415458437 531487596 /nfs/dbraw/zinc/48/75/96/531487596.db2.gz URGSBVFADINBDL-ZDUSSCGKSA-N 0 3 382.258 1.806 20 30 GDEDHN C=CCOc1ccc(Br)cc1NC(=O)C(=O)N[C@H](CN)C1CC1 ZINC000415458436 531487913 /nfs/dbraw/zinc/48/79/13/531487913.db2.gz URGSBVFADINBDL-CYBMUJFWSA-N 0 3 382.258 1.806 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000588288966 531651850 /nfs/dbraw/zinc/65/18/50/531651850.db2.gz SFLXXGFZZREMNL-WCQYABFASA-N 0 3 385.467 1.023 20 30 GDEDHN N#Cc1ccc(S(=O)(=O)CCNC2CCN(CC(F)(F)F)CC2)nc1 ZINC000562984228 531793801 /nfs/dbraw/zinc/79/38/01/531793801.db2.gz AZHILSRUUDRMBF-UHFFFAOYSA-N 0 3 376.404 1.343 20 30 GDEDHN CCN1CCN(CCNC(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593464093 531835403 /nfs/dbraw/zinc/83/54/03/531835403.db2.gz ITPOLWRXACRLNM-UHFFFAOYSA-N 0 3 379.302 1.617 20 30 GDEDHN C=CCN1CCC(NC(=O)C(=O)NCc2ccc(Br)cc2)CC1 ZINC000283602858 531879234 /nfs/dbraw/zinc/87/92/34/531879234.db2.gz QVVCWMDOGJKGQM-UHFFFAOYSA-N 0 3 380.286 1.832 20 30 GDEDHN N#Cc1cnn2c1NC[C@@H](C[NH2+]CCSCc1ccccc1-c1nnn[n-]1)C2 ZINC000737729072 598519527 /nfs/dbraw/zinc/51/95/27/598519527.db2.gz ZPJCFRSCCFZACM-CYBMUJFWSA-N 0 3 395.496 1.500 20 30 GDEDHN N#Cc1cnn2c1NC[C@@H](C[NH2+]CCSCc1ccccc1-c1nn[n-]n1)C2 ZINC000737729072 598519528 /nfs/dbraw/zinc/51/95/28/598519528.db2.gz ZPJCFRSCCFZACM-CYBMUJFWSA-N 0 3 395.496 1.500 20 30 GDEDHN N#CC(C(=O)Cn1cnc2ccc(Br)cc2c1=O)C(=O)NC1CC1 ZINC000129505443 644734705 /nfs/dbraw/zinc/73/47/05/644734705.db2.gz MHIWSVKLWOTZCM-GFCCVEGCSA-N 0 3 389.209 1.146 20 30 GDEDHN C[C@@H]1CCCN(C(=[NH2+])NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000262803307 645140184 /nfs/dbraw/zinc/14/01/84/645140184.db2.gz RRSGZWAFZSLMAO-LLVKDONJSA-N 0 3 376.885 1.804 20 30 GDEDHN C[C@H]1CCCN(C(=[NH2+])NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000262803309 645140292 /nfs/dbraw/zinc/14/02/92/645140292.db2.gz RRSGZWAFZSLMAO-NSHDSACASA-N 0 3 376.885 1.804 20 30 GDEDHN CN(C)CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000330486186 645365775 /nfs/dbraw/zinc/36/57/75/645365775.db2.gz DERPPSOWWVAKQY-UHFFFAOYSA-N 0 3 384.933 1.858 20 30 GDEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)CCn1cc(Br)cn1 ZINC000917422778 660212887 /nfs/dbraw/zinc/21/28/87/660212887.db2.gz NYMCEOQQVHCGHQ-CYBMUJFWSA-N 0 3 385.262 1.676 20 30 GDEDHN CN(CCn1cc(Br)cn1)C[C@H](O)COc1ccccc1C#N ZINC000599423012 652496333 /nfs/dbraw/zinc/49/63/33/652496333.db2.gz ZIDHWVITYLUEJU-HNNXBMFYSA-N 0 3 379.258 1.889 20 30 GDEDHN N#Cc1cc(N[C@@H]2CCCN(CCN3CCOCC3)C2)ncc1Br ZINC000603422862 652714721 /nfs/dbraw/zinc/71/47/21/652714721.db2.gz KBFYOYVVBAEBSJ-OAHLLOKOSA-N 0 3 394.317 1.924 20 30 GDEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@@H]1CCS(=O)(=O)C1 ZINC000728172980 654885567 /nfs/dbraw/zinc/88/55/67/654885567.db2.gz LXVIXKAWFUJZSK-OLZOCXBDSA-N 0 3 377.491 1.982 20 30 GDEDHN C[C@H]1CCS(=O)(=O)CCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000763852151 655203139 /nfs/dbraw/zinc/20/31/39/655203139.db2.gz KCPGARHRHFVLNK-QWHCGFSZSA-N 0 3 377.491 1.982 20 30 GDEDHN C#CCN(C)CCCNC(=O)NC[C@H](CO)Cc1ccc(Br)cc1 ZINC000838623438 655221169 /nfs/dbraw/zinc/22/11/69/655221169.db2.gz BPKJMXPDKRKCFV-MRXNPFEDSA-N 0 3 396.329 1.854 20 30 GDEDHN N#Cc1ccc(OCC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1Br ZINC000825517160 655490286 /nfs/dbraw/zinc/49/02/86/655490286.db2.gz NYIKWBYDNMPUBY-ZFWWWQNUSA-N 0 3 394.269 1.679 20 30 GDEDHN C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(CC=C)CC2)s1 ZINC000874436624 656469266 /nfs/dbraw/zinc/46/92/66/656469266.db2.gz MNIMRFVDCJRHML-UHFFFAOYSA-N 0 3 383.539 1.522 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000876735665 656626901 /nfs/dbraw/zinc/62/69/01/656626901.db2.gz AWRIPHDHOGDAJT-HNNXBMFYSA-N 0 3 386.905 1.031 20 30 GDEDHN C#CCN(C(=O)c1cnn(C)c1I)C1CCN(C)CC1 ZINC000886576174 657676816 /nfs/dbraw/zinc/67/68/16/657676816.db2.gz ZHJCMDWGXPMBBX-UHFFFAOYSA-N 0 3 386.237 1.194 20 30 GDEDHN C#CCN(C(=O)C(=O)N(C)Cc1ccc(Br)o1)C1CCN(C)CC1 ZINC000910886398 659987727 /nfs/dbraw/zinc/98/77/27/659987727.db2.gz UYTNNHZQGPHQPN-UHFFFAOYSA-N 0 3 396.285 1.557 20 30 GDEDHN COC(=O)c1cc(C#N)cnc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880417 721178866 /nfs/dbraw/zinc/17/88/66/721178866.db2.gz WKHMYHYKMMAIMQ-ZWKOTPCHSA-N 0 3 393.447 1.615 20 30 GDEDHN C#CCCCC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001573284566 946749733 /nfs/dbraw/zinc/74/97/33/946749733.db2.gz GKFTYBLVBMYLLS-WMLDXEAASA-N 0 3 384.459 1.993 20 30 GDEDHN C#CCCCC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001573284566 946749737 /nfs/dbraw/zinc/74/97/37/946749737.db2.gz GKFTYBLVBMYLLS-WMLDXEAASA-N 0 3 384.459 1.993 20 30 GDEDHN C#CCO[C@@H](C)C(=O)NC1CC(C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573286635 946815346 /nfs/dbraw/zinc/81/53/46/946815346.db2.gz GTAYHTIRGZUATN-FUJMWEONSA-N 0 3 386.431 1.029 20 30 GDEDHN C#Cc1ccc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)nc1 ZINC001573288411 946863828 /nfs/dbraw/zinc/86/38/28/946863828.db2.gz PWJNTTBSGTUTLB-GOSISDBHSA-N 0 3 387.447 1.637 20 30 GDEDHN C#Cc1ccc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)nc1 ZINC001573288411 946863839 /nfs/dbraw/zinc/86/38/39/946863839.db2.gz PWJNTTBSGTUTLB-GOSISDBHSA-N 0 3 387.447 1.637 20 30 GDEDHN C#Cc1ccc(C(=O)N[C@H](C)CCC[NH2+]Cc2ccccc2-c2nnn[n-]2)nc1 ZINC001573288953 946880830 /nfs/dbraw/zinc/88/08/30/946880830.db2.gz VUGQWMWFKKIWRF-OAHLLOKOSA-N 0 3 389.463 1.931 20 30 GDEDHN C#Cc1ccc(C(=O)N[C@H](C)CCC[NH2+]Cc2ccccc2-c2nn[n-]n2)nc1 ZINC001573288953 946880850 /nfs/dbraw/zinc/88/08/50/946880850.db2.gz VUGQWMWFKKIWRF-OAHLLOKOSA-N 0 3 389.463 1.931 20 30 GDEDHN C#Cc1ccccc1CC(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573290350 946902753 /nfs/dbraw/zinc/90/27/53/946902753.db2.gz JDBNZSVXGNISLY-INIZCTEOSA-N 0 3 388.475 1.933 20 30 GDEDHN C#Cc1ccccc1CC(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573290350 946902760 /nfs/dbraw/zinc/90/27/60/946902760.db2.gz JDBNZSVXGNISLY-INIZCTEOSA-N 0 3 388.475 1.933 20 30 GDEDHN C=C(C)CC[NH+]1CCC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)(COC)CC1 ZINC001573294007 946975574 /nfs/dbraw/zinc/97/55/74/946975574.db2.gz RFFOWSUAMAGSBD-UHFFFAOYSA-N 0 3 387.488 1.619 20 30 GDEDHN C=C(C)CC[NH+]1CCC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)(COC)CC1 ZINC001573294007 946975585 /nfs/dbraw/zinc/97/55/85/946975585.db2.gz RFFOWSUAMAGSBD-UHFFFAOYSA-N 0 3 387.488 1.619 20 30 GDEDHN C=CCCCCC[N@@H+]1CCCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573334539 947456784 /nfs/dbraw/zinc/45/67/84/947456784.db2.gz FKGDSWAJYYDGFL-MRXNPFEDSA-N 0 3 387.488 1.762 20 30 GDEDHN C=CCCCCC[N@H+]1CCCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573334539 947456792 /nfs/dbraw/zinc/45/67/92/947456792.db2.gz FKGDSWAJYYDGFL-MRXNPFEDSA-N 0 3 387.488 1.762 20 30 GDEDHN C=CCCCCC[N@@H+]1CCCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573334539 947456800 /nfs/dbraw/zinc/45/68/00/947456800.db2.gz FKGDSWAJYYDGFL-MRXNPFEDSA-N 0 3 387.488 1.762 20 30 GDEDHN C=CCCCCC[N@H+]1CCCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573334539 947456807 /nfs/dbraw/zinc/45/68/07/947456807.db2.gz FKGDSWAJYYDGFL-MRXNPFEDSA-N 0 3 387.488 1.762 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573350883 947605328 /nfs/dbraw/zinc/60/53/28/947605328.db2.gz KJWRJSWUBFVSRN-QEORTHHSSA-N 0 3 388.447 1.581 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573350883 947605333 /nfs/dbraw/zinc/60/53/33/947605333.db2.gz KJWRJSWUBFVSRN-QEORTHHSSA-N 0 3 388.447 1.581 20 30 GDEDHN C[C@H](CN(C)C(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574754118 950564347 /nfs/dbraw/zinc/56/43/47/950564347.db2.gz YCKJQYISVBCTOH-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@H](CN(C)C(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574754118 950564365 /nfs/dbraw/zinc/56/43/65/950564365.db2.gz YCKJQYISVBCTOH-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574527871 950908377 /nfs/dbraw/zinc/90/83/77/950908377.db2.gz IEIGDOCKVNXARA-STQMWFEESA-N 0 3 378.440 1.753 20 30 GDEDHN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(C#N)cc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574527871 950908389 /nfs/dbraw/zinc/90/83/89/950908389.db2.gz IEIGDOCKVNXARA-STQMWFEESA-N 0 3 378.440 1.753 20 30 GDEDHN C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574529315 950945810 /nfs/dbraw/zinc/94/58/10/950945810.db2.gz QERCFHJLFLTQOL-CHWSQXEVSA-N 0 3 378.440 1.753 20 30 GDEDHN C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574529315 950945829 /nfs/dbraw/zinc/94/58/29/950945829.db2.gz QERCFHJLFLTQOL-CHWSQXEVSA-N 0 3 378.440 1.753 20 30 GDEDHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)c1ccc(C#N)[nH]1 ZINC001575091648 951779872 /nfs/dbraw/zinc/77/98/72/951779872.db2.gz TYCYKYQXUWZBDG-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN N#Cc1cccc(C[NH2+][C@@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c1 ZINC001571121343 952519475 /nfs/dbraw/zinc/51/94/75/952519475.db2.gz YYQILNFFCZMUMG-OAHLLOKOSA-N 0 3 376.424 1.461 20 30 GDEDHN Cc1csc(C(C#N)C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)n1 ZINC000041518461 530622822 /nfs/dbraw/zinc/62/28/22/530622822.db2.gz KLUVZLUKBMVAAT-GFCCVEGCSA-N 0 3 380.451 1.291 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000481018923 531383319 /nfs/dbraw/zinc/38/33/19/531383319.db2.gz SIWVYSNELWEBQN-WCQYABFASA-N 0 3 385.467 1.071 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000481018926 531383511 /nfs/dbraw/zinc/38/35/11/531383511.db2.gz SIWVYSNELWEBQN-YPMHNXCESA-N 0 3 385.467 1.071 20 30 GDEDHN N#Cc1ccc(OCC(=O)NC[C@@H](O)CN2CCCCC2)cc1Br ZINC000450232732 531490404 /nfs/dbraw/zinc/49/04/04/531490404.db2.gz MQUOQKLSMKVNDW-CQSZACIVSA-N 0 3 396.285 1.663 20 30 GDEDHN C[C@H](CNC(=O)c1ccc(Br)cc1C#N)CN1CCN(C)CC1 ZINC000294936101 531507720 /nfs/dbraw/zinc/50/77/20/531507720.db2.gz LZPZEURKBPPDEN-CYBMUJFWSA-N 0 3 379.302 1.934 20 30 GDEDHN N#Cc1cccc(NC(=O)C(=O)N2CCN3CCC[C@H]3C2)c1Br ZINC000332556849 532195075 /nfs/dbraw/zinc/19/50/75/532195075.db2.gz NOBCSPGHJXNSGV-LBPRGKRZSA-N 0 3 377.242 1.566 20 30 GDEDHN N#Cc1cc(Br)cc(S(=O)(=O)N[C@H]2CNCCC2(F)F)c1 ZINC000580073428 651893636 /nfs/dbraw/zinc/89/36/36/651893636.db2.gz IVHKECOFFQDHET-NSHDSACASA-N 0 3 380.214 1.596 20 30 GDEDHN N#Cc1ccc(OCC(=O)N[C@@H](CO)CN2CCCC2)cc1Br ZINC000603052820 652673678 /nfs/dbraw/zinc/67/36/78/652673678.db2.gz MZBJKXGGSCPMEI-CYBMUJFWSA-N 0 3 382.258 1.272 20 30 GDEDHN O=S(=O)(c1ccc(=NNC2=CS(=O)(=O)CCC2)[nH]c1)N1CCCCC1 ZINC000731924769 654453338 /nfs/dbraw/zinc/45/33/38/654453338.db2.gz JKALNIDYECOSPN-UHFFFAOYSA-N 0 3 386.499 1.233 20 30 GDEDHN C[C@@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CCS(=O)(=O)C1 ZINC000763898873 655204294 /nfs/dbraw/zinc/20/42/94/655204294.db2.gz BUYLMLNXBVUHSJ-OLZOCXBDSA-N 0 3 377.491 1.839 20 30 GDEDHN C#CCN(C)CCCNS(=O)(=O)Cc1cc(OC)ccc1Br ZINC000815083063 655286274 /nfs/dbraw/zinc/28/62/74/655286274.db2.gz NVKVEIDZYATCFV-UHFFFAOYSA-N 0 3 389.315 1.832 20 30 GDEDHN CC[C@H](Sc1ccccc1)C(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000842307357 655361645 /nfs/dbraw/zinc/36/16/45/655361645.db2.gz QXPCYWVPKJOTAO-CABCVRRESA-N 0 3 380.491 1.523 20 30 GDEDHN N#Cc1cc(Br)ccc1CC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000845344382 655427016 /nfs/dbraw/zinc/42/70/16/655427016.db2.gz VXJIKNQAFBISIA-CVEARBPZSA-N 0 3 378.270 1.843 20 30 GDEDHN Cc1nn(CC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(=O)n1C ZINC000847624500 655473705 /nfs/dbraw/zinc/47/37/05/655473705.db2.gz SELOTZAPVKBBFC-JTQLQIEISA-N 0 3 382.207 1.545 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000876551600 656612446 /nfs/dbraw/zinc/61/24/46/656612446.db2.gz UHKQPFNUNSHJRU-HNNXBMFYSA-N 0 3 385.917 1.606 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000876554611 656613512 /nfs/dbraw/zinc/61/35/12/656613512.db2.gz PQMSCCIOKQOIKD-ZDUSSCGKSA-N 0 3 393.843 1.268 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000876568155 656614712 /nfs/dbraw/zinc/61/47/12/656614712.db2.gz DUKHOWILMDODPX-OAHLLOKOSA-N 0 3 389.880 1.519 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000876875304 656636497 /nfs/dbraw/zinc/63/64/97/656636497.db2.gz RJKHQCAEVZJBCM-GJZGRUSLSA-N 0 3 385.295 1.481 20 30 GDEDHN C=CCN1CCC(NC(=O)Cc2csc(S[C@H](CC)C(N)=O)n2)CC1 ZINC000878750332 656746203 /nfs/dbraw/zinc/74/62/03/656746203.db2.gz AVJANGXRKDSXFI-CQSZACIVSA-N 0 3 382.555 1.808 20 30 GDEDHN CN1CCC[C@H]1C(=O)N1CCN(c2ncc(C#N)cc2Br)CC1 ZINC000882102732 657043118 /nfs/dbraw/zinc/04/31/18/657043118.db2.gz QXTKEHWKTCXPEZ-AWEZNQCLSA-N 0 3 378.274 1.459 20 30 GDEDHN N#Cc1ccc(Br)c(CN2CCC3(CC2)C[C@H](O)CNC3=O)c1 ZINC000932834570 657227089 /nfs/dbraw/zinc/22/70/89/657227089.db2.gz FGEKMKSBFLQIIE-AWEZNQCLSA-N 0 3 378.270 1.784 20 30 GDEDHN COC1CCN(CCNC(=O)Nc2ccc(Br)c(C#N)n2)CC1 ZINC000883094800 657270081 /nfs/dbraw/zinc/27/00/81/657270081.db2.gz LYNLIHLUBSWCBQ-UHFFFAOYSA-N 0 3 382.262 1.948 20 30 GDEDHN COCCNC(=O)C(C#N)C(=O)COCCc1ccc(Br)cc1 ZINC000892492255 658328973 /nfs/dbraw/zinc/32/89/73/658328973.db2.gz SHJCQMLHNSPTFD-CQSZACIVSA-N 0 3 383.242 1.480 20 30 GDEDHN CCOC(=O)c1cc(C)nc(N2CCC3(CCCN3CC(=O)NC)CC2)c1C#N ZINC001164684429 719709209 /nfs/dbraw/zinc/70/92/09/719709209.db2.gz PPESHJQEWUAUDK-UHFFFAOYSA-N 0 3 399.495 1.619 20 30 GDEDHN N#Cc1ncc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1C#N ZINC001164972663 722145690 /nfs/dbraw/zinc/14/56/90/722145690.db2.gz AGFBUOLRHPAWHV-VQIMIIECSA-N 0 3 375.436 1.342 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N[C@](C)(C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001573285236 946773233 /nfs/dbraw/zinc/77/32/33/946773233.db2.gz FUNHQDGWGKHSQR-VBKZILBWSA-N 0 3 382.468 1.280 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N[C@](C)(C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001573285236 946773248 /nfs/dbraw/zinc/77/32/48/946773248.db2.gz FUNHQDGWGKHSQR-VBKZILBWSA-N 0 3 382.468 1.280 20 30 GDEDHN C#Cc1cncc(C(=O)N2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C[C@H]2C)c1 ZINC001573290988 946913562 /nfs/dbraw/zinc/91/35/62/946913562.db2.gz UMFZZSHRQZPCSB-AUUYWEPGSA-N 0 3 387.447 1.636 20 30 GDEDHN C#Cc1cncc(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001573292081 946929451 /nfs/dbraw/zinc/92/94/51/946929451.db2.gz OIXQHXXEFWCGKX-UONOGXRCSA-N 0 3 375.436 1.540 20 30 GDEDHN C#Cc1cncc(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573292081 946929458 /nfs/dbraw/zinc/92/94/58/946929458.db2.gz OIXQHXXEFWCGKX-UONOGXRCSA-N 0 3 375.436 1.540 20 30 GDEDHN C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001573295901 947030054 /nfs/dbraw/zinc/03/00/54/947030054.db2.gz WGSONNGXJRAGDS-MRVWCRGKSA-N 0 3 375.864 1.778 20 30 GDEDHN C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001573295901 947030064 /nfs/dbraw/zinc/03/00/64/947030064.db2.gz WGSONNGXJRAGDS-MRVWCRGKSA-N 0 3 375.864 1.778 20 30 GDEDHN C[C@@H](C#N)C(=O)N[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001573571767 947102056 /nfs/dbraw/zinc/10/20/56/947102056.db2.gz AQFFEPVVVDBNTJ-YVEFUNNKSA-N 0 3 385.447 1.930 20 30 GDEDHN C[C@H](C#N)C(=O)NC1(C2CC[NH+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)CC1 ZINC001573575727 947143034 /nfs/dbraw/zinc/14/30/34/947143034.db2.gz ZMZPPCISUZPNIA-CQSZACIVSA-N 0 3 379.468 1.887 20 30 GDEDHN C=C[C@@H](CC)CC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573316142 947269492 /nfs/dbraw/zinc/26/94/92/947269492.db2.gz SAYUXNIAIRRDKT-YJBOKZPZSA-N 0 3 384.484 1.786 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573350559 947599641 /nfs/dbraw/zinc/59/96/41/947599641.db2.gz GLMYLMHDSIISHT-QRQLOZEOSA-N 0 3 396.495 1.738 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573350559 947599650 /nfs/dbraw/zinc/59/96/50/947599650.db2.gz GLMYLMHDSIISHT-QRQLOZEOSA-N 0 3 396.495 1.738 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573350559 947599658 /nfs/dbraw/zinc/59/96/58/947599658.db2.gz GLMYLMHDSIISHT-QRQLOZEOSA-N 0 3 396.495 1.738 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573350559 947599664 /nfs/dbraw/zinc/59/96/64/947599664.db2.gz GLMYLMHDSIISHT-QRQLOZEOSA-N 0 3 396.495 1.738 20 30 GDEDHN CC(C)(C)C#CC(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001573788571 949199835 /nfs/dbraw/zinc/19/98/35/949199835.db2.gz NCZGZAGCTPZHKA-UHFFFAOYSA-N 0 3 378.480 1.951 20 30 GDEDHN CC(C)(C)C#CC(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001573788571 949199848 /nfs/dbraw/zinc/19/98/48/949199848.db2.gz NCZGZAGCTPZHKA-UHFFFAOYSA-N 0 3 378.480 1.951 20 30 GDEDHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC001574997926 950555307 /nfs/dbraw/zinc/55/53/07/950555307.db2.gz ZHANJOIMLYWHON-LBPRGKRZSA-N 0 3 380.412 1.005 20 30 GDEDHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[NH2+]Cc1ccc(OCC#N)cc1 ZINC001574997926 950555324 /nfs/dbraw/zinc/55/53/24/950555324.db2.gz ZHANJOIMLYWHON-LBPRGKRZSA-N 0 3 380.412 1.005 20 30 GDEDHN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)N(C)C(=O)c1cc(C#N)c[nH]1 ZINC001575091972 951786925 /nfs/dbraw/zinc/78/69/25/951786925.db2.gz WWBYTSSKBKGAAM-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@H](CNC(=O)c1ccc(C#N)[nH]1)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001575104238 951884406 /nfs/dbraw/zinc/88/44/06/951884406.db2.gz YLGVCYQZTLILAT-NSHDSACASA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@H](CNC(=O)c1ccc(C#N)[nH]1)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001575104238 951884415 /nfs/dbraw/zinc/88/44/15/951884415.db2.gz YLGVCYQZTLILAT-NSHDSACASA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)c1c[nH]c(C#N)c1 ZINC001575106230 951902647 /nfs/dbraw/zinc/90/26/47/951902647.db2.gz RGWVPLAZDVHHTE-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)c1c[nH]c(C#N)c1 ZINC001575106230 951902655 /nfs/dbraw/zinc/90/26/55/951902655.db2.gz RGWVPLAZDVHHTE-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[N@H+](Cc1ccccc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001571119888 952496812 /nfs/dbraw/zinc/49/68/12/952496812.db2.gz HEHKHGSBTRBPJI-MRXNPFEDSA-N 0 3 376.424 1.413 20 30 GDEDHN C[N@@H+](Cc1ccccc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001571119888 952496817 /nfs/dbraw/zinc/49/68/17/952496817.db2.gz HEHKHGSBTRBPJI-MRXNPFEDSA-N 0 3 376.424 1.413 20 30 GDEDHN C[N@H+](Cc1ccccc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001571119888 952496825 /nfs/dbraw/zinc/49/68/25/952496825.db2.gz HEHKHGSBTRBPJI-MRXNPFEDSA-N 0 3 376.424 1.413 20 30 GDEDHN C[N@@H+](Cc1ccccc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001571119888 952496829 /nfs/dbraw/zinc/49/68/29/952496829.db2.gz HEHKHGSBTRBPJI-MRXNPFEDSA-N 0 3 376.424 1.413 20 30 GDEDHN CN(C)CCN1C[C@H](C(=O)N[C@H](C#N)c2cccc(Br)c2)CC1=O ZINC000174432140 530647503 /nfs/dbraw/zinc/64/75/03/530647503.db2.gz CTNXCHUEDGZTIG-UKRRQHHQSA-N 0 3 393.285 1.540 20 30 GDEDHN N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1Cl ZINC000261737440 531097960 /nfs/dbraw/zinc/09/79/60/531097960.db2.gz OUZCCBAZSKTXPC-CYBMUJFWSA-N 0 3 396.822 1.326 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(Br)cc(OC)c1 ZINC000293214600 531408069 /nfs/dbraw/zinc/40/80/69/531408069.db2.gz BHORUMORCLJGQK-UHFFFAOYSA-N 0 3 382.258 1.468 20 30 GDEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)s1 ZINC000294075605 531461168 /nfs/dbraw/zinc/46/11/68/531461168.db2.gz WHAZYATXYQHBER-HNNXBMFYSA-N 0 3 383.539 1.281 20 30 GDEDHN N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1Br ZINC000588375647 531653062 /nfs/dbraw/zinc/65/30/62/531653062.db2.gz OPWRZSYMEMTYCY-CQSZACIVSA-N 0 3 391.269 1.860 20 30 GDEDHN C[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1Br)N(C)C1CC1 ZINC000419691248 531956090 /nfs/dbraw/zinc/95/60/90/531956090.db2.gz FHYGLSVHEFAZSJ-SNVBAGLBSA-N 0 3 379.258 1.858 20 30 GDEDHN CC(C)(C#N)C[C@H](O)CN1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000598593263 531987239 /nfs/dbraw/zinc/98/72/39/531987239.db2.gz RQDAKCUOTABOBY-ZDUSSCGKSA-N 0 3 385.452 1.575 20 30 GDEDHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000601492245 532067089 /nfs/dbraw/zinc/06/70/89/532067089.db2.gz MUDOZNOEGIEMKJ-SDDRHHMPSA-N 0 3 385.408 1.118 20 30 GDEDHN CN(C)[C@@]1(CNC(=O)c2cccc(N3CCCS3(=O)=O)c2)CCSC1 ZINC000330045265 532113504 /nfs/dbraw/zinc/11/35/04/532113504.db2.gz IBBOZTHWSJNCSB-QGZVFWFLSA-N 0 3 383.539 1.968 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC2([S@](C)=O)CCC2)cc1 ZINC000287530827 532221016 /nfs/dbraw/zinc/22/10/16/532221016.db2.gz ISMIUHJIKWCJMG-MCFWBGNESA-N 0 3 383.495 1.795 20 30 GDEDHN N#Cc1ncn(CCNCc2cc(I)cc([N+](=O)[O-])c2)n1 ZINC000289865242 532333384 /nfs/dbraw/zinc/33/33/84/532333384.db2.gz OSGKWMZKZAPTJG-UHFFFAOYSA-N 0 3 398.164 1.452 20 30 GDEDHN C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000819722930 606398786 /nfs/dbraw/zinc/39/87/86/606398786.db2.gz RIQBMXMHGKMSFU-UHFFFAOYSA-N 0 3 387.419 1.101 20 30 GDEDHN C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000819722930 606398789 /nfs/dbraw/zinc/39/87/89/606398789.db2.gz RIQBMXMHGKMSFU-UHFFFAOYSA-N 0 3 387.419 1.101 20 30 GDEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000819745874 606646087 /nfs/dbraw/zinc/64/60/87/606646087.db2.gz SLFBZMDJWYEJAN-MRXNPFEDSA-N 0 3 390.513 1.526 20 30 GDEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000819745874 606646088 /nfs/dbraw/zinc/64/60/88/606646088.db2.gz SLFBZMDJWYEJAN-MRXNPFEDSA-N 0 3 390.513 1.526 20 30 GDEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000819745874 606646089 /nfs/dbraw/zinc/64/60/89/606646089.db2.gz SLFBZMDJWYEJAN-MRXNPFEDSA-N 0 3 390.513 1.526 20 30 GDEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000819745874 606646090 /nfs/dbraw/zinc/64/60/90/606646090.db2.gz SLFBZMDJWYEJAN-MRXNPFEDSA-N 0 3 390.513 1.526 20 30 GDEDHN CC(C)NC(=O)C(C#N)C(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000130951248 644741927 /nfs/dbraw/zinc/74/19/27/644741927.db2.gz QRGBWXNDCOGZJV-LBPRGKRZSA-N 0 3 391.225 1.392 20 30 GDEDHN NS(=O)(=O)C1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000329702368 645322618 /nfs/dbraw/zinc/32/26/18/645322618.db2.gz HVDMYBRFAPIZKZ-UHFFFAOYSA-N 0 3 390.575 1.015 20 30 GDEDHN C[C@@H](NCCC(=O)Nc1sccc1C#N)c1cccc(S(N)(=O)=O)c1 ZINC000510951550 648346197 /nfs/dbraw/zinc/34/61/97/648346197.db2.gz LIUAOBDLOMLUAR-LLVKDONJSA-N 0 3 378.479 1.947 20 30 GDEDHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000806920126 655075087 /nfs/dbraw/zinc/07/50/87/655075087.db2.gz YSBIHZFYGPKRBR-NSHDSACASA-N 0 3 379.258 1.860 20 30 GDEDHN COCCNC(=O)C(C#N)C(=O)COc1ccc(C#N)c(Br)c1 ZINC000835062716 655084760 /nfs/dbraw/zinc/08/47/60/655084760.db2.gz WPENXZPPIRQQLL-GFCCVEGCSA-N 0 3 380.198 1.171 20 30 GDEDHN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)C(C#N)c2ccncn2)s1 ZINC000760336224 655109209 /nfs/dbraw/zinc/10/92/09/655109209.db2.gz XJFXUHUEZZTPHS-TZMCWYRMSA-N 0 3 376.463 1.876 20 30 GDEDHN C#CCN(C)CCCNC(=O)NCC(=O)Nc1ccc(Br)c(C)c1 ZINC000836487196 655145380 /nfs/dbraw/zinc/14/53/80/655145380.db2.gz ALWZBFPFPINBAY-UHFFFAOYSA-N 0 3 395.301 1.950 20 30 GDEDHN C#CCN(C)CCCNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000818584085 655376773 /nfs/dbraw/zinc/37/67/73/655376773.db2.gz CTLFQXLKVUQTDK-CQSZACIVSA-N 0 3 392.297 1.873 20 30 GDEDHN Cc1cc(S(=O)(=O)NCCNC[C@@H](O)c2ccc(C#N)cc2)c(C)s1 ZINC000819180933 655387701 /nfs/dbraw/zinc/38/77/01/655387701.db2.gz YVVYJCCDCTWGMK-MRXNPFEDSA-N 0 3 379.507 1.838 20 30 GDEDHN O=S(=O)(C1CNC1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000923731323 656595906 /nfs/dbraw/zinc/59/59/06/656595906.db2.gz KTJIOKARGFRJLH-RNFRBKRXSA-N 0 3 388.280 1.391 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(S(=O)(=O)N(CC)CC)s1 ZINC000876570732 656615266 /nfs/dbraw/zinc/61/52/66/656615266.db2.gz MTIBMVRCVDOBGA-LBPRGKRZSA-N 0 3 379.935 1.865 20 30 GDEDHN C#CCN(C(=O)C(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12)C1CCN(C)CC1 ZINC000930561046 657034242 /nfs/dbraw/zinc/03/42/42/657034242.db2.gz SYWKHRJKEVTLNA-BZUAXINKSA-N 0 3 381.567 1.038 20 30 GDEDHN CN1CCN(CCCCNC(=O)Nc2ccc(Br)c(C#N)n2)CC1 ZINC000883084974 657268412 /nfs/dbraw/zinc/26/84/12/657268412.db2.gz GJICMCONLGPVPZ-UHFFFAOYSA-N 0 3 395.305 1.865 20 30 GDEDHN COc1ncc(Br)cc1CNC(=O)C1CC2(C1)CNC[C@@H]2C#N ZINC000884433820 657356049 /nfs/dbraw/zinc/35/60/49/657356049.db2.gz TVTBBPJHTFSEFY-BGMSHATGSA-N 0 3 379.258 1.608 20 30 GDEDHN C#CCN(C(=O)c1nc2ncc(Br)cn2n1)C1CCN(C)CC1 ZINC000886583318 657676680 /nfs/dbraw/zinc/67/66/80/657676680.db2.gz LLGUEVZIMAJKFN-UHFFFAOYSA-N 0 3 377.246 1.056 20 30 GDEDHN N#Cc1c(Br)cccc1S(=O)(=O)[N-]C[C@H]1C[NH2+]CCC1(F)F ZINC000886898406 657725437 /nfs/dbraw/zinc/72/54/37/657725437.db2.gz ZUSCHHQPCBSKBG-SECBINFHSA-N 0 3 394.241 1.844 20 30 GDEDHN N#Cc1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccc(-c4nnn[n-]4)c3)C2)c[nH]1 ZINC001571299968 946266335 /nfs/dbraw/zinc/26/63/35/946266335.db2.gz WVYDUNYMCNOQDD-OAHLLOKOSA-N 0 3 390.451 1.708 20 30 GDEDHN N#Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)C2)c[nH]1 ZINC001571299968 946266348 /nfs/dbraw/zinc/26/63/48/946266348.db2.gz WVYDUNYMCNOQDD-OAHLLOKOSA-N 0 3 390.451 1.708 20 30 GDEDHN N#Cc1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccc(-c4nn[n-]n4)c3)C2)c[nH]1 ZINC001571299968 946266363 /nfs/dbraw/zinc/26/63/63/946266363.db2.gz WVYDUNYMCNOQDD-OAHLLOKOSA-N 0 3 390.451 1.708 20 30 GDEDHN N#Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)C2)c[nH]1 ZINC001571299968 946266371 /nfs/dbraw/zinc/26/63/71/946266371.db2.gz WVYDUNYMCNOQDD-OAHLLOKOSA-N 0 3 390.451 1.708 20 30 GDEDHN C#CCCCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC001573284062 946734590 /nfs/dbraw/zinc/73/45/90/946734590.db2.gz QIPLYIPPBRYADC-INIZCTEOSA-N 0 3 382.468 1.617 20 30 GDEDHN C#CCCCC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC001573284062 946734598 /nfs/dbraw/zinc/73/45/98/946734598.db2.gz QIPLYIPPBRYADC-INIZCTEOSA-N 0 3 382.468 1.617 20 30 GDEDHN C#CCCCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC001573284062 946734609 /nfs/dbraw/zinc/73/46/09/946734609.db2.gz QIPLYIPPBRYADC-INIZCTEOSA-N 0 3 382.468 1.617 20 30 GDEDHN C#CCCCC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC001573284062 946734621 /nfs/dbraw/zinc/73/46/21/946734621.db2.gz QIPLYIPPBRYADC-INIZCTEOSA-N 0 3 382.468 1.617 20 30 GDEDHN C#CCOCCC(=O)N1CCC(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573286591 946812230 /nfs/dbraw/zinc/81/22/30/946812230.db2.gz FRWQFXGUDRCGHQ-UHFFFAOYSA-N 0 3 382.468 1.235 20 30 GDEDHN C#CCOCCC(=O)N1CCC(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573286591 946812243 /nfs/dbraw/zinc/81/22/43/946812243.db2.gz FRWQFXGUDRCGHQ-UHFFFAOYSA-N 0 3 382.468 1.235 20 30 GDEDHN C=C(Br)CN[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C(C)C ZINC001573292634 946936135 /nfs/dbraw/zinc/93/61/35/946936135.db2.gz YVRHAVNROWTEPT-GFCCVEGCSA-N 0 3 382.266 1.447 20 30 GDEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573294559 946992876 /nfs/dbraw/zinc/99/28/76/946992876.db2.gz HUKLGZVOWCXGCF-FHWLQOOXSA-N 0 3 396.495 1.881 20 30 GDEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573294559 946992884 /nfs/dbraw/zinc/99/28/84/946992884.db2.gz HUKLGZVOWCXGCF-FHWLQOOXSA-N 0 3 396.495 1.881 20 30 GDEDHN C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]21 ZINC001573295207 947011173 /nfs/dbraw/zinc/01/11/73/947011173.db2.gz MOYIXLJQLKMGIX-FPMFFAJLSA-N 0 3 375.864 1.778 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573310022 947215505 /nfs/dbraw/zinc/21/55/05/947215505.db2.gz RAJBUBDDJPBXIE-KXBFYZLASA-N 0 3 388.447 1.414 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573310022 947215510 /nfs/dbraw/zinc/21/55/10/947215510.db2.gz RAJBUBDDJPBXIE-KXBFYZLASA-N 0 3 388.447 1.414 20 30 GDEDHN C=CCCOCC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)CC[C@@H]2C1 ZINC001573335846 947489745 /nfs/dbraw/zinc/48/97/45/947489745.db2.gz FJPYHVMNSAKHNO-MOPGFXCFSA-N 0 3 396.495 1.740 20 30 GDEDHN C=CCCOCC(=O)N1C[C@@H]2C[N@H+](Cc3cccc(-c4nnn[n-]4)c3)CC[C@@H]2C1 ZINC001573335846 947489756 /nfs/dbraw/zinc/48/97/56/947489756.db2.gz FJPYHVMNSAKHNO-MOPGFXCFSA-N 0 3 396.495 1.740 20 30 GDEDHN C=CCCOCC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)CC[C@@H]2C1 ZINC001573335846 947489761 /nfs/dbraw/zinc/48/97/61/947489761.db2.gz FJPYHVMNSAKHNO-MOPGFXCFSA-N 0 3 396.495 1.740 20 30 GDEDHN C=CCCOCC(=O)N1C[C@@H]2C[N@H+](Cc3cccc(-c4nn[n-]n4)c3)CC[C@@H]2C1 ZINC001573335846 947489770 /nfs/dbraw/zinc/48/97/70/947489770.db2.gz FJPYHVMNSAKHNO-MOPGFXCFSA-N 0 3 396.495 1.740 20 30 GDEDHN C=CCCO[C@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573336494 947506272 /nfs/dbraw/zinc/50/62/72/947506272.db2.gz OBNHBCTZBBZXBR-QAPCUYQASA-N 0 3 384.484 1.929 20 30 GDEDHN C=CCCO[C@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573336494 947506281 /nfs/dbraw/zinc/50/62/81/947506281.db2.gz OBNHBCTZBBZXBR-QAPCUYQASA-N 0 3 384.484 1.929 20 30 GDEDHN C=CCOCC(=O)NCC1(C)CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573343491 947560821 /nfs/dbraw/zinc/56/08/21/947560821.db2.gz PUEWIODODDNCPE-UHFFFAOYSA-N 0 3 384.484 1.788 20 30 GDEDHN C=CCOCC(=O)NCC1(C)CC[NH+](Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573343491 947560825 /nfs/dbraw/zinc/56/08/25/947560825.db2.gz PUEWIODODDNCPE-UHFFFAOYSA-N 0 3 384.484 1.788 20 30 GDEDHN C=CCOCC(=O)N[C@H](C)[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573343978 947567071 /nfs/dbraw/zinc/56/70/71/947567071.db2.gz VLRMATZHNJYDRK-CRAIPNDOSA-N 0 3 384.484 1.786 20 30 GDEDHN C=CCOCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573343978 947567078 /nfs/dbraw/zinc/56/70/78/947567078.db2.gz VLRMATZHNJYDRK-CRAIPNDOSA-N 0 3 384.484 1.786 20 30 GDEDHN C=CCOCC(=O)N[C@H](C)[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573343978 947567082 /nfs/dbraw/zinc/56/70/82/947567082.db2.gz VLRMATZHNJYDRK-CRAIPNDOSA-N 0 3 384.484 1.786 20 30 GDEDHN C=CCOCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573343978 947567090 /nfs/dbraw/zinc/56/70/90/947567090.db2.gz VLRMATZHNJYDRK-CRAIPNDOSA-N 0 3 384.484 1.786 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001573351932 947624246 /nfs/dbraw/zinc/62/42/46/947624246.db2.gz XVOJQABLZATIAM-MSOLQXFVSA-N 0 3 396.495 1.976 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001573351932 947624251 /nfs/dbraw/zinc/62/42/51/947624251.db2.gz XVOJQABLZATIAM-MSOLQXFVSA-N 0 3 396.495 1.976 20 30 GDEDHN CC#CC[NH2+]C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C(F)(F)F ZINC001573359257 947684040 /nfs/dbraw/zinc/68/40/40/947684040.db2.gz XOMLYDMCYDYJMM-QWRGUYRKSA-N 0 3 381.362 1.058 20 30 GDEDHN C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575890784 949965562 /nfs/dbraw/zinc/96/55/62/949965562.db2.gz ZVSINIRATCGCID-SUMWQHHRSA-N 0 3 390.451 1.849 20 30 GDEDHN C[C@H](CN(C)C(=O)c1cc(C#N)c[nH]1)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574745770 950387632 /nfs/dbraw/zinc/38/76/32/950387632.db2.gz KHYAQVRKTHTJQG-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(C#N)[nH]1 ZINC001575107052 951910763 /nfs/dbraw/zinc/91/07/63/951910763.db2.gz XZDBGMLXXLOGKH-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(C#N)[nH]1 ZINC001575107052 951910770 /nfs/dbraw/zinc/91/07/70/951910770.db2.gz XZDBGMLXXLOGKH-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C=CCN1CCC(NC(=O)CCNS(=O)(=O)c2ccccc2Cl)CC1 ZINC000171566377 530600310 /nfs/dbraw/zinc/60/03/10/530600310.db2.gz MABJCXHNNGASAE-UHFFFAOYSA-N 0 3 385.917 1.775 20 30 GDEDHN CN(CCN(C)S(=O)(=O)c1cc(C#N)ccc1Cl)C1CCN(C)CC1 ZINC000186368752 530855672 /nfs/dbraw/zinc/85/56/72/530855672.db2.gz NEZUIWLKEINSCH-UHFFFAOYSA-N 0 3 384.933 1.858 20 30 GDEDHN CS(=O)(=O)NCC[C@H]1CCCCN1CCC(=O)Nc1sccc1C#N ZINC000126092785 531015077 /nfs/dbraw/zinc/01/50/77/531015077.db2.gz FKWGGDKGVNGNRH-CQSZACIVSA-N 0 3 384.527 1.742 20 30 GDEDHN C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@]2(N(C)C)CCSC2)c1 ZINC000267089518 531395616 /nfs/dbraw/zinc/39/56/16/531395616.db2.gz IDPUZPCWOWDKJG-QGZVFWFLSA-N 0 3 383.539 1.318 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(Br)ccc1OCC ZINC000293229461 531409736 /nfs/dbraw/zinc/40/97/36/531409736.db2.gz CFTQIOJCNKDZQK-UHFFFAOYSA-N 0 3 396.285 1.858 20 30 GDEDHN COC(=O)C1CCN(CCCNc2ncc(Br)cc2C#N)CC1 ZINC000450255783 531491222 /nfs/dbraw/zinc/49/12/22/531491222.db2.gz CZJGARSNSZAZSV-UHFFFAOYSA-N 0 3 381.274 2.403 20 30 GDEDHN CC(C)(C#N)C[C@@H](O)CN1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000598593262 531987424 /nfs/dbraw/zinc/98/74/24/531987424.db2.gz RQDAKCUOTABOBY-CYBMUJFWSA-N 0 3 385.452 1.575 20 30 GDEDHN N#CC1(C[C@@H](O)CNCC(=O)Nc2ccc(I)cc2)CC1 ZINC000600740401 532053718 /nfs/dbraw/zinc/05/37/18/532053718.db2.gz ICGSMOZRZFARCE-CYBMUJFWSA-N 0 3 399.232 1.874 20 30 GDEDHN N#CCCC[C@H](N)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000424077665 532082680 /nfs/dbraw/zinc/08/26/80/532082680.db2.gz OFMHINWIIPQXGM-HNNXBMFYSA-N 0 3 384.889 1.194 20 30 GDEDHN N#CCCC[C@H](N)C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000424117782 532084721 /nfs/dbraw/zinc/08/47/21/532084721.db2.gz ZGFCOJVWKJMGJM-HNNXBMFYSA-N 0 3 393.285 1.755 20 30 GDEDHN CS[C@H]1CN(C(=O)Nc2nc(CN3CCOCC3)cs2)C[C@H]1N(C)C ZINC000329029732 532094758 /nfs/dbraw/zinc/09/47/58/532094758.db2.gz WTRAGGODMFJDKC-KGLIPLIRSA-N 0 3 385.559 1.498 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCC2([S@](C)=O)CCC2)cc1 ZINC000287530833 532221196 /nfs/dbraw/zinc/22/11/96/532221196.db2.gz ISMIUHJIKWCJMG-YYUOZPCZSA-N 0 3 383.495 1.795 20 30 GDEDHN N#Cc1ccc(NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)cc1Br ZINC000376688885 532224232 /nfs/dbraw/zinc/22/42/32/532224232.db2.gz QNKPGBPHBALWRR-AWEZNQCLSA-N 0 3 391.269 1.956 20 30 GDEDHN C=CC[C@@H](CO)CN[C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430698435 532254655 /nfs/dbraw/zinc/25/46/55/532254655.db2.gz VFBUMGWJHMJJRM-GHMZBOCLSA-N 0 3 377.304 1.932 20 30 GDEDHN C#CCN1CCC(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OCCOC)CC1 ZINC000823850000 608137707 /nfs/dbraw/zinc/13/77/07/608137707.db2.gz GKDXBLDYAFIJAU-UHFFFAOYSA-N 0 3 384.440 1.176 20 30 GDEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@@H]2CCN(CC(F)(F)F)C2)nc1 ZINC000567677963 650914339 /nfs/dbraw/zinc/91/43/39/650914339.db2.gz GHOBLHGDJPRXMA-ZDUSSCGKSA-N 0 3 376.404 1.201 20 30 GDEDHN CNC(=O)C(C#N)C(=O)CCCOc1ccc(I)cc1 ZINC000121405919 644678823 /nfs/dbraw/zinc/67/88/23/644678823.db2.gz DGNPMRBAIRCLSA-LBPRGKRZSA-N 0 3 386.189 1.905 20 30 GDEDHN CN(CC(=O)C(C#N)C(=O)NC1CC1)C(=O)c1ccc(Br)s1 ZINC000129622441 644736120 /nfs/dbraw/zinc/73/61/20/644736120.db2.gz BIZFFRIGNBCZHI-VIFPVBQESA-N 0 3 384.255 1.570 20 30 GDEDHN CC(C)NC(=O)C(C#N)C(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000130838161 644741224 /nfs/dbraw/zinc/74/12/24/644741224.db2.gz GWMHPROBUWIWNV-CYBMUJFWSA-N 0 3 380.242 1.802 20 30 GDEDHN COCCCNC(=O)C(C#N)C(=O)Cc1cc(Br)ccc1OC ZINC000173940242 644894861 /nfs/dbraw/zinc/89/48/61/644894861.db2.gz BUUXXGASNSPZAF-CYBMUJFWSA-N 0 3 383.242 1.862 20 30 GDEDHN COC1CCN(CCNC(=O)COc2cccc(Br)c2C#N)CC1 ZINC000590674748 652139513 /nfs/dbraw/zinc/13/95/13/652139513.db2.gz CSAIJFGJZSQEDD-UHFFFAOYSA-N 0 3 396.285 1.927 20 30 GDEDHN N#CCCCC[C@@H](N)C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000594440579 652284840 /nfs/dbraw/zinc/28/48/40/652284840.db2.gz GBQZLQLETMLNNV-CQSZACIVSA-N 0 3 380.290 1.904 20 30 GDEDHN N#CCCCC[C@@H](N)C(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000594444742 652285473 /nfs/dbraw/zinc/28/54/73/652285473.db2.gz CHMBVVVHZXQTAQ-HUUCEWRRSA-N 0 3 393.285 1.860 20 30 GDEDHN CN(C(=O)[C@@H](N)CCCCC#N)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000594445865 652286208 /nfs/dbraw/zinc/28/62/08/652286208.db2.gz LQWHCBUJWCARFP-UONOGXRCSA-N 0 3 381.274 1.845 20 30 GDEDHN CCN(CC(=O)C(C#N)c1nc2ccccc2s1)[C@H]1CCS(=O)(=O)C1 ZINC000728172981 654885744 /nfs/dbraw/zinc/88/57/44/654885744.db2.gz LXVIXKAWFUJZSK-QWHCGFSZSA-N 0 3 377.491 1.982 20 30 GDEDHN C=CCN1CCC(NC(=O)C(=O)NCc2ccc(Br)cc2F)CC1 ZINC000804892032 655002354 /nfs/dbraw/zinc/00/23/54/655002354.db2.gz LNTINRRKUPVFOR-UHFFFAOYSA-N 0 3 398.276 1.971 20 30 GDEDHN CCOCCCNC(=O)C(C#N)C(=O)C[C@H](C)n1cc(Br)cn1 ZINC000842681514 655370950 /nfs/dbraw/zinc/37/09/50/655370950.db2.gz MATRYDSHLSMTBK-AAEUAGOBSA-N 0 3 385.262 1.848 20 30 GDEDHN C=CCN1C(=S)N=NC1c1sc(NC(=O)COC2(C)CNC2)nc1C ZINC000843372452 655393741 /nfs/dbraw/zinc/39/37/41/655393741.db2.gz XJIWWSXMVJXHPM-UHFFFAOYSA-N 0 3 380.499 1.502 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000876558593 656614095 /nfs/dbraw/zinc/61/40/95/656614095.db2.gz UPGKLSBZFSMUKY-SNVBAGLBSA-N 0 3 398.337 1.704 20 30 GDEDHN CN1CCN(CCNC(=O)Nc2ccc(Br)c(C#N)n2)CC1(C)C ZINC000883106861 657271634 /nfs/dbraw/zinc/27/16/34/657271634.db2.gz GYXKSQGOLMXTHY-UHFFFAOYSA-N 0 3 395.305 1.863 20 30 GDEDHN C#CCN(CN1c2cccc(Br)c2C(=O)C1=O)C1CCN(C)CC1 ZINC000902536262 659261253 /nfs/dbraw/zinc/26/12/53/659261253.db2.gz GNYRUGAOKVSMCN-UHFFFAOYSA-N 0 3 390.281 1.965 20 30 GDEDHN CN(C)C[C@H]1CN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CCO1 ZINC000906953316 659626952 /nfs/dbraw/zinc/62/69/52/659626952.db2.gz OOMDAKZBSLYVNP-LBPRGKRZSA-N 0 3 388.287 1.272 20 30 GDEDHN COc1cnccc1N1CCN(S(=O)(=O)Cc2csc(C#N)c2)CC1 ZINC000915163603 660162516 /nfs/dbraw/zinc/16/25/16/660162516.db2.gz FWIRIVNQLAYZJB-UHFFFAOYSA-N 0 3 378.479 1.675 20 30 GDEDHN N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)c1 ZINC001571299812 946262402 /nfs/dbraw/zinc/26/24/02/946262402.db2.gz VIZUFOLNBDYMNA-IAGOWNOFSA-N 0 3 390.451 1.897 20 30 GDEDHN N#Cc1c[nH]c(C(=O)N[C@@H]2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)c1 ZINC001571299812 946262413 /nfs/dbraw/zinc/26/24/13/946262413.db2.gz VIZUFOLNBDYMNA-IAGOWNOFSA-N 0 3 390.451 1.897 20 30 GDEDHN COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cc1C#N ZINC001571309824 946455808 /nfs/dbraw/zinc/45/58/08/946455808.db2.gz LXAARUZCTUVKNS-SHTZXODSSA-N 0 3 392.423 1.126 20 30 GDEDHN C#CCCCC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC001573284063 946735268 /nfs/dbraw/zinc/73/52/68/946735268.db2.gz QIPLYIPPBRYADC-MRXNPFEDSA-N 0 3 382.468 1.617 20 30 GDEDHN C#CCCCC(=O)NC[C@H]1CC[N@H+](Cc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC001573284063 946735278 /nfs/dbraw/zinc/73/52/78/946735278.db2.gz QIPLYIPPBRYADC-MRXNPFEDSA-N 0 3 382.468 1.617 20 30 GDEDHN C#CCCCC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC001573284063 946735293 /nfs/dbraw/zinc/73/52/93/946735293.db2.gz QIPLYIPPBRYADC-MRXNPFEDSA-N 0 3 382.468 1.617 20 30 GDEDHN C#CCCCC(=O)NC[C@H]1CC[N@H+](Cc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC001573284063 946735302 /nfs/dbraw/zinc/73/53/02/946735302.db2.gz QIPLYIPPBRYADC-MRXNPFEDSA-N 0 3 382.468 1.617 20 30 GDEDHN C#CCO[C@H](C)C(=O)N[C@@](C)(C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001573285237 946772571 /nfs/dbraw/zinc/77/25/71/946772571.db2.gz FUNHQDGWGKHSQR-VLIAUNLRSA-N 0 3 382.468 1.280 20 30 GDEDHN C#CCO[C@H](C)C(=O)N[C@@](C)(C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001573285237 946772576 /nfs/dbraw/zinc/77/25/76/946772576.db2.gz FUNHQDGWGKHSQR-VLIAUNLRSA-N 0 3 382.468 1.280 20 30 GDEDHN C#Cc1ccc(C(=O)NCC2([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)CCC2)nc1 ZINC001573288061 946854487 /nfs/dbraw/zinc/85/44/87/946854487.db2.gz MJVZDDOBBMDOMH-UHFFFAOYSA-N 0 3 387.447 1.685 20 30 GDEDHN C#Cc1cncc(C(=O)NCC2([NH2+]Cc3ccc(F)c(-c4nnn[n-]4)c3)CC2)c1 ZINC001573291275 946917142 /nfs/dbraw/zinc/91/71/42/946917142.db2.gz ARCSLXNXBJPYOV-UHFFFAOYSA-N 0 3 391.410 1.434 20 30 GDEDHN C#Cc1cncc(C(=O)N2CCC([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC001573292004 946927150 /nfs/dbraw/zinc/92/71/50/946927150.db2.gz MMVACSPRNPTXJN-UHFFFAOYSA-N 0 3 387.447 1.637 20 30 GDEDHN C#Cc1cncc(C(=O)N2CCC([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC001573292004 946927157 /nfs/dbraw/zinc/92/71/57/946927157.db2.gz MMVACSPRNPTXJN-UHFFFAOYSA-N 0 3 387.447 1.637 20 30 GDEDHN C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001573295899 947031114 /nfs/dbraw/zinc/03/11/14/947031114.db2.gz WGSONNGXJRAGDS-IACUBPJLSA-N 0 3 375.864 1.778 20 30 GDEDHN C=C(Cl)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001573295899 947031122 /nfs/dbraw/zinc/03/11/22/947031122.db2.gz WGSONNGXJRAGDS-IACUBPJLSA-N 0 3 375.864 1.778 20 30 GDEDHN C[C@@H](C#N)C(=O)N[C@H]1CC12CC[NH+](Cc1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC001573575338 947136274 /nfs/dbraw/zinc/13/62/74/947136274.db2.gz XILRVQPCFZVHFM-LRDDRELGSA-N 0 3 383.431 1.636 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573309131 947191434 /nfs/dbraw/zinc/19/14/34/947191434.db2.gz CXGDNYQTMAYBIH-MGPUTAFESA-N 0 3 384.484 1.474 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573309131 947191438 /nfs/dbraw/zinc/19/14/38/947191438.db2.gz CXGDNYQTMAYBIH-MGPUTAFESA-N 0 3 384.484 1.474 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573309131 947191440 /nfs/dbraw/zinc/19/14/40/947191440.db2.gz CXGDNYQTMAYBIH-MGPUTAFESA-N 0 3 384.484 1.474 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573309131 947191447 /nfs/dbraw/zinc/19/14/47/947191447.db2.gz CXGDNYQTMAYBIH-MGPUTAFESA-N 0 3 384.484 1.474 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573310021 947215013 /nfs/dbraw/zinc/21/50/13/947215013.db2.gz RAJBUBDDJPBXIE-HNAYVOBHSA-N 0 3 388.447 1.414 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N1CCC[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573310021 947215023 /nfs/dbraw/zinc/21/50/23/947215023.db2.gz RAJBUBDDJPBXIE-HNAYVOBHSA-N 0 3 388.447 1.414 20 30 GDEDHN C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1-c1nnn[n-]1)CC2 ZINC001573584785 947234361 /nfs/dbraw/zinc/23/43/61/947234361.db2.gz DYVXZACNJWVSEV-JNAXZKDPSA-N 0 3 379.468 1.887 20 30 GDEDHN C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccccc1-c1nnn[n-]1)CC2 ZINC001573584785 947234370 /nfs/dbraw/zinc/23/43/70/947234370.db2.gz DYVXZACNJWVSEV-JNAXZKDPSA-N 0 3 379.468 1.887 20 30 GDEDHN C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ccccc1-c1nn[n-]n1)CC2 ZINC001573584785 947234378 /nfs/dbraw/zinc/23/43/78/947234378.db2.gz DYVXZACNJWVSEV-JNAXZKDPSA-N 0 3 379.468 1.887 20 30 GDEDHN C[C@@H](C#N)C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ccccc1-c1nn[n-]n1)CC2 ZINC001573584785 947234384 /nfs/dbraw/zinc/23/43/84/947234384.db2.gz DYVXZACNJWVSEV-JNAXZKDPSA-N 0 3 379.468 1.887 20 30 GDEDHN C=CCCOCC(=O)N[C@]1(C)CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573336046 947497951 /nfs/dbraw/zinc/49/79/51/947497951.db2.gz HKJIVNONZJPCFD-QGZVFWFLSA-N 0 3 376.486 1.602 20 30 GDEDHN C=CCCOCC(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573336046 947497956 /nfs/dbraw/zinc/49/79/56/947497956.db2.gz HKJIVNONZJPCFD-QGZVFWFLSA-N 0 3 376.486 1.602 20 30 GDEDHN C=CCOCC[N@@H+]1CCC[C@]2(CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001573347669 947575052 /nfs/dbraw/zinc/57/50/52/947575052.db2.gz GICGBSIVZYRNPV-IBGZPJMESA-N 0 3 385.472 1.326 20 30 GDEDHN C=CCOCC[N@H+]1CCC[C@]2(CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001573347669 947575055 /nfs/dbraw/zinc/57/50/55/947575055.db2.gz GICGBSIVZYRNPV-IBGZPJMESA-N 0 3 385.472 1.326 20 30 GDEDHN C=CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573347702 947577483 /nfs/dbraw/zinc/57/74/83/947577483.db2.gz GUIVJXZBQITNRA-GOOCMWNKSA-N 0 3 385.472 1.513 20 30 GDEDHN C=CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573347702 947577492 /nfs/dbraw/zinc/57/74/92/947577492.db2.gz GUIVJXZBQITNRA-GOOCMWNKSA-N 0 3 385.472 1.513 20 30 GDEDHN C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575908482 950366474 /nfs/dbraw/zinc/36/64/74/950366474.db2.gz CFKHZJXXYGOCIO-MLGOLLRUSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575908482 950366495 /nfs/dbraw/zinc/36/64/95/950366495.db2.gz CFKHZJXXYGOCIO-MLGOLLRUSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nnn[n-]1)N(C)C(=O)c1cc(C#N)c[nH]1 ZINC001575079465 951692251 /nfs/dbraw/zinc/69/22/51/951692251.db2.gz FEHMPIBYHDIRKE-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[n-]n1)N(C)C(=O)c1cc(C#N)c[nH]1 ZINC001575079465 951692255 /nfs/dbraw/zinc/69/22/55/951692255.db2.gz FEHMPIBYHDIRKE-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C[NH2+]Cc1ccc(C#N)cc1F ZINC001575103053 951873433 /nfs/dbraw/zinc/87/34/33/951873433.db2.gz RNDPWBRZPQTGKH-NSHDSACASA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@@](C[NH2+]Cc1ccccc1-c1nnn[n-]1)(NC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC001575113975 951951615 /nfs/dbraw/zinc/95/16/15/951951615.db2.gz JPGWVSZLMPMEGS-FQEVSTJZSA-N 0 3 390.451 1.755 20 30 GDEDHN C[C@@](C[NH2+]Cc1ccccc1-c1nn[n-]n1)(NC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC001575113975 951951622 /nfs/dbraw/zinc/95/16/22/951951622.db2.gz JPGWVSZLMPMEGS-FQEVSTJZSA-N 0 3 390.451 1.755 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC2(CC[N@H+](Cc3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC001571151143 952673831 /nfs/dbraw/zinc/67/38/31/952673831.db2.gz MIYGJYQOCVMCOQ-HNNXBMFYSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC2(CC[N@@H+](Cc3cccc(-c4nnn[n-]4)c3)C2)CC1 ZINC001571151143 952673833 /nfs/dbraw/zinc/67/38/33/952673833.db2.gz MIYGJYQOCVMCOQ-HNNXBMFYSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC2(CC[N@H+](Cc3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC001571151143 952673835 /nfs/dbraw/zinc/67/38/35/952673835.db2.gz MIYGJYQOCVMCOQ-HNNXBMFYSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC2(CC[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)C2)CC1 ZINC001571151143 952673836 /nfs/dbraw/zinc/67/38/36/952673836.db2.gz MIYGJYQOCVMCOQ-HNNXBMFYSA-N 0 3 379.468 1.841 20 30 GDEDHN C=CCN1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1 ZINC000171721134 530602080 /nfs/dbraw/zinc/60/20/80/530602080.db2.gz JKQYPGUUVXYWDU-UHFFFAOYSA-N 0 3 383.539 1.913 20 30 GDEDHN CN(CCN(C)S(=O)(=O)c1ccc(Cl)cc1C#N)C1CCN(C)CC1 ZINC000181063048 530777697 /nfs/dbraw/zinc/77/76/97/530777697.db2.gz DYPNXPWJLXFBEG-UHFFFAOYSA-N 0 3 384.933 1.858 20 30 GDEDHN N#Cc1ccc(OCC(=O)N[C@H](CO)CN2CCCCC2)cc1Br ZINC000413799202 531418619 /nfs/dbraw/zinc/41/86/19/531418619.db2.gz NFFIUURORXAOIG-AWEZNQCLSA-N 0 3 396.285 1.663 20 30 GDEDHN C#CCN(C)CCCNC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000294032218 531458390 /nfs/dbraw/zinc/45/83/90/531458390.db2.gz ROSIGNNOPXPJEF-UHFFFAOYSA-N 0 3 381.270 1.834 20 30 GDEDHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CC(F)(F)C(F)(F)C1 ZINC000416532182 531666801 /nfs/dbraw/zinc/66/68/01/531666801.db2.gz FTRPTMBNCJRUGM-ZCFIWIBFSA-N 0 3 375.262 1.787 20 30 GDEDHN CN(CCN1CCCC1)C(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419699571 531959725 /nfs/dbraw/zinc/95/97/25/531959725.db2.gz WLNJRJDOGRQGSO-UHFFFAOYSA-N 0 3 379.258 1.813 20 30 GDEDHN CN1CC=C(CNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000288156370 532268262 /nfs/dbraw/zinc/26/82/62/532268262.db2.gz RFMUVAFHKBEHAE-UHFFFAOYSA-N 0 3 377.242 1.637 20 30 GDEDHN N#Cc1cnc2c(Br)cccc2c1N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565232545 650788112 /nfs/dbraw/zinc/78/81/12/650788112.db2.gz JYAJQUAWRLONSQ-RISCZKNCSA-N 0 3 386.253 1.617 20 30 GDEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@H]2CCN(CC(F)(F)F)C2)nc1 ZINC000567677962 650914242 /nfs/dbraw/zinc/91/42/42/650914242.db2.gz GHOBLHGDJPRXMA-CYBMUJFWSA-N 0 3 376.404 1.201 20 30 GDEDHN N#CC(C(=O)CCCc1ccc(Cl)cc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000112495427 644635398 /nfs/dbraw/zinc/63/53/98/644635398.db2.gz YIFJLYVJWSLZQK-HNNXBMFYSA-N 0 3 382.869 1.629 20 30 GDEDHN C#CCN1CCC(C(=O)NC[C@H](O)COc2ccccc2Br)CC1 ZINC000165823499 644865328 /nfs/dbraw/zinc/86/53/28/644865328.db2.gz WJMQNDGPGCVEBZ-HNNXBMFYSA-N 0 3 395.297 1.650 20 30 GDEDHN Cc1cc(CCCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)c(C)s1 ZINC000175970515 644908505 /nfs/dbraw/zinc/90/85/05/644908505.db2.gz KNTGEPXYCPJCBX-HNNXBMFYSA-N 0 3 382.507 1.654 20 30 GDEDHN N#CC(C(=O)CN1C(=O)c2ccc(Br)cc2C1=O)C(=O)NC1CC1 ZINC000916926796 660203623 /nfs/dbraw/zinc/20/36/23/660203623.db2.gz XXMKIHNNGUPOMC-GFCCVEGCSA-N 0 3 390.193 1.033 20 30 GDEDHN C=C(Br)CNC(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000805156497 655029314 /nfs/dbraw/zinc/02/93/14/655029314.db2.gz XWGUKNSNDIDODD-UHFFFAOYSA-N 0 3 376.295 1.017 20 30 GDEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000818606584 655377396 /nfs/dbraw/zinc/37/73/96/655377396.db2.gz YCAIKXLNXAUNNM-HNNXBMFYSA-N 0 3 383.539 1.363 20 30 GDEDHN C=CCS(=O)(=O)CCNC[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000819223381 655388384 /nfs/dbraw/zinc/38/83/84/655388384.db2.gz ZSJNTOZERAIPKI-QGZVFWFLSA-N 0 3 376.519 1.329 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000876558592 656613991 /nfs/dbraw/zinc/61/39/91/656613991.db2.gz UPGKLSBZFSMUKY-JTQLQIEISA-N 0 3 398.337 1.704 20 30 GDEDHN N#Cc1ccc(CN2CCC3(CC2)C[C@@H](O)CNC3=O)c(Br)c1 ZINC000932832927 657226441 /nfs/dbraw/zinc/22/64/41/657226441.db2.gz MBUQXMXFYNOLAW-CQSZACIVSA-N 0 3 378.270 1.784 20 30 GDEDHN C[C@@H]1CS(=O)(=O)CCCN1CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000933313936 657271115 /nfs/dbraw/zinc/27/11/15/657271115.db2.gz ZDKMFQSNHYNDSK-CHWSQXEVSA-N 0 3 377.491 1.982 20 30 GDEDHN C#CCN(C(=O)Cc1csc(S[C@H](C)C(N)=O)n1)C1CCN(C)CC1 ZINC000886572333 657675748 /nfs/dbraw/zinc/67/57/48/657675748.db2.gz IGQVPSNCHGZVCZ-GFCCVEGCSA-N 0 3 380.539 1.208 20 30 GDEDHN C#CCOCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)[C@@H](C)C1 ZINC001573286691 946818793 /nfs/dbraw/zinc/81/87/93/946818793.db2.gz HOBISMSQPAIPCU-YJBOKZPZSA-N 0 3 382.468 1.233 20 30 GDEDHN C#CCOCCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)[C@@H](C)C1 ZINC001573286691 946818802 /nfs/dbraw/zinc/81/88/02/946818802.db2.gz HOBISMSQPAIPCU-YJBOKZPZSA-N 0 3 382.468 1.233 20 30 GDEDHN C#Cc1ccc(C(=O)N[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C2CC2)nc1 ZINC001573289000 946882736 /nfs/dbraw/zinc/88/27/36/946882736.db2.gz WHPHOKKARVVUDR-LJQANCHMSA-N 0 3 387.447 1.541 20 30 GDEDHN C#Cc1ccc(C(=O)N[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C2CC2)nc1 ZINC001573289000 946882750 /nfs/dbraw/zinc/88/27/50/946882750.db2.gz WHPHOKKARVVUDR-LJQANCHMSA-N 0 3 387.447 1.541 20 30 GDEDHN C#Cc1ccc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)nc1 ZINC001573290517 946904979 /nfs/dbraw/zinc/90/49/79/946904979.db2.gz YJRAPLMVOGAQQL-IFXJQAMLSA-N 0 3 387.447 1.493 20 30 GDEDHN C#Cc1ccc(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)nc1 ZINC001573290517 946904985 /nfs/dbraw/zinc/90/49/85/946904985.db2.gz YJRAPLMVOGAQQL-IFXJQAMLSA-N 0 3 387.447 1.493 20 30 GDEDHN C=C(C)CC[N@@H+](CCOC)C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573293794 946967329 /nfs/dbraw/zinc/96/73/29/946967329.db2.gz JSNUCUVJKHRVOI-UHFFFAOYSA-N 0 3 387.488 1.714 20 30 GDEDHN C=C(C)CC[N@H+](CCOC)C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573293794 946967335 /nfs/dbraw/zinc/96/73/35/946967335.db2.gz JSNUCUVJKHRVOI-UHFFFAOYSA-N 0 3 387.488 1.714 20 30 GDEDHN C=C(C)CC[N@@H+](CCOC)C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573293794 946967341 /nfs/dbraw/zinc/96/73/41/946967341.db2.gz JSNUCUVJKHRVOI-UHFFFAOYSA-N 0 3 387.488 1.714 20 30 GDEDHN C=C(C)CC[N@H+](CCOC)C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573293794 946967344 /nfs/dbraw/zinc/96/73/44/946967344.db2.gz JSNUCUVJKHRVOI-UHFFFAOYSA-N 0 3 387.488 1.714 20 30 GDEDHN C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]21 ZINC001573294797 946998764 /nfs/dbraw/zinc/99/87/64/946998764.db2.gz HHHJINXMZBWAEW-FRRDWIJNSA-N 0 3 375.864 1.778 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573565403 947006613 /nfs/dbraw/zinc/00/66/13/947006613.db2.gz QSODJLDYMKWPEN-STQMWFEESA-N 0 3 385.447 1.882 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001573565403 947006621 /nfs/dbraw/zinc/00/66/21/947006621.db2.gz QSODJLDYMKWPEN-STQMWFEESA-N 0 3 385.447 1.882 20 30 GDEDHN C[C@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573571113 947099160 /nfs/dbraw/zinc/09/91/60/947099160.db2.gz ZHPLBHJAIPFLSI-NFAWXSAZSA-N 0 3 385.447 1.882 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N[C@H](C)CC[NH2+]Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573309400 947198868 /nfs/dbraw/zinc/19/88/68/947198868.db2.gz IJQPRHWLKVFPEN-XIKOKIGWSA-N 0 3 376.436 1.317 20 30 GDEDHN C=C[C@](C)(CCOC)C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573309631 947206536 /nfs/dbraw/zinc/20/65/36/947206536.db2.gz LVAMXCUZZMYJEN-OXQOHEQNSA-N 0 3 384.484 1.786 20 30 GDEDHN C=C[C@](C)(CCOC)C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573309631 947206544 /nfs/dbraw/zinc/20/65/44/947206544.db2.gz LVAMXCUZZMYJEN-OXQOHEQNSA-N 0 3 384.484 1.786 20 30 GDEDHN C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001573586764 947294098 /nfs/dbraw/zinc/29/40/98/947294098.db2.gz SMKXELWFGAVBCZ-XEZPLFJOSA-N 0 3 385.447 1.930 20 30 GDEDHN C=CCOCC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573343409 947556930 /nfs/dbraw/zinc/55/69/30/947556930.db2.gz OZICZIGWDYJUFQ-FUHWJXTLSA-N 0 3 384.484 1.834 20 30 GDEDHN C=CCOCC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573343409 947556936 /nfs/dbraw/zinc/55/69/36/947556936.db2.gz OZICZIGWDYJUFQ-FUHWJXTLSA-N 0 3 384.484 1.834 20 30 GDEDHN C=CCOCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573349149 947592486 /nfs/dbraw/zinc/59/24/86/947592486.db2.gz ZIXOFPGOMBYRGR-RHSMWYFYSA-N 0 3 385.472 1.324 20 30 GDEDHN C=CCOCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573349149 947592497 /nfs/dbraw/zinc/59/24/97/947592497.db2.gz ZIXOFPGOMBYRGR-RHSMWYFYSA-N 0 3 385.472 1.324 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1-c1nnn[n-]1 ZINC001573352245 947630142 /nfs/dbraw/zinc/63/01/42/947630142.db2.gz ZPGBHEHPRDEPIN-OLMNPRSZSA-N 0 3 384.484 1.784 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1-c1nnn[n-]1 ZINC001573352245 947630147 /nfs/dbraw/zinc/63/01/47/947630147.db2.gz ZPGBHEHPRDEPIN-OLMNPRSZSA-N 0 3 384.484 1.784 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)Cc1ccccc1-c1nn[n-]n1 ZINC001573352245 947630151 /nfs/dbraw/zinc/63/01/51/947630151.db2.gz ZPGBHEHPRDEPIN-OLMNPRSZSA-N 0 3 384.484 1.784 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1-c1nn[n-]n1 ZINC001573352245 947630155 /nfs/dbraw/zinc/63/01/55/947630155.db2.gz ZPGBHEHPRDEPIN-OLMNPRSZSA-N 0 3 384.484 1.784 20 30 GDEDHN C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC001575081786 951725819 /nfs/dbraw/zinc/72/58/19/951725819.db2.gz VNGBUIIYCXUNPP-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)C[NH2+]Cc1cc(-c2nn[n-]n2)ccc1F ZINC001575081786 951725822 /nfs/dbraw/zinc/72/58/22/951725822.db2.gz VNGBUIIYCXUNPP-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C[NH2+]Cc1ccc(C#N)cc1F ZINC001575104036 951880385 /nfs/dbraw/zinc/88/03/85/951880385.db2.gz XBFJYJMCJAYLJJ-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C[NH2+]Cc1ccc(C#N)cc1F ZINC001575104036 951880388 /nfs/dbraw/zinc/88/03/88/951880388.db2.gz XBFJYJMCJAYLJJ-LLVKDONJSA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@@H](C[NH2+]Cc1ccc(F)c(C#N)c1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575104561 951888722 /nfs/dbraw/zinc/88/87/22/951888722.db2.gz DWZOWGQIPDLGPK-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@@H](C[NH2+]Cc1ccc(F)c(C#N)c1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575104561 951888728 /nfs/dbraw/zinc/88/87/28/951888728.db2.gz DWZOWGQIPDLGPK-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN CN(C)CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000155314985 531199385 /nfs/dbraw/zinc/19/93/85/531199385.db2.gz POMYUXUYKDDDAL-UHFFFAOYSA-N 0 3 384.933 1.858 20 30 GDEDHN CCc1[nH]nc(C(=O)N(CCC#N)CCN2CCOCC2)c1Br ZINC000279325592 531426277 /nfs/dbraw/zinc/42/62/77/531426277.db2.gz XTPIBRYMFYJFNW-UHFFFAOYSA-N 0 3 384.278 1.423 20 30 GDEDHN C#CCN(C)CCCNC(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000293925010 531452927 /nfs/dbraw/zinc/45/29/27/531452927.db2.gz HGUACLVEMIJJHB-NSHDSACASA-N 0 3 386.315 1.700 20 30 GDEDHN C[C@@H](CO)N1CCCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000451084145 531544475 /nfs/dbraw/zinc/54/44/75/531544475.db2.gz JHOKQVPXDREUBB-ZDUSSCGKSA-N 0 3 396.285 1.615 20 30 GDEDHN CN1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2cccc(C#N)c2Br)C1 ZINC000591415331 531722012 /nfs/dbraw/zinc/72/20/12/531722012.db2.gz QPSQCMLMEUUGKA-AAEUAGOBSA-N 0 3 377.242 1.422 20 30 GDEDHN N#CCCC[C@@H](N)C(=O)NCCCNC(=O)c1ccc(Br)cc1 ZINC000424111198 532083985 /nfs/dbraw/zinc/08/39/85/532083985.db2.gz GAOPCICAEBXVMY-CQSZACIVSA-N 0 3 381.274 1.706 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1 ZINC000429925979 532239247 /nfs/dbraw/zinc/23/92/47/532239247.db2.gz PMIQCGMCHHXIED-ABAIWWIYSA-N 0 3 385.467 1.071 20 30 GDEDHN CN1CCC[C@@H](N2CCN(S(=O)(=O)c3cccc(Cl)c3C#N)CC2)C1 ZINC000377749096 532271620 /nfs/dbraw/zinc/27/16/20/532271620.db2.gz YRHAYDZJBBMMJY-CQSZACIVSA-N 0 3 382.917 1.612 20 30 GDEDHN C=CC[C@@H](CO)CN[C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430698445 532255235 /nfs/dbraw/zinc/25/52/35/532255235.db2.gz VFBUMGWJHMJJRM-WDEREUQCSA-N 0 3 377.304 1.932 20 30 GDEDHN N=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)Nc1cc(F)ccc1F ZINC000288768867 532307261 /nfs/dbraw/zinc/30/72/61/532307261.db2.gz UGLPOEFKIZXCKH-LBPRGKRZSA-N 0 3 376.429 1.180 20 30 GDEDHN [NH2+]=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)NCCc1cccs1 ZINC000130680946 644740484 /nfs/dbraw/zinc/74/04/84/644740484.db2.gz UEGVCPFMXOFCNB-UHFFFAOYSA-N 0 3 392.959 1.888 20 30 GDEDHN [NH2+]=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)NCCc1ccccc1 ZINC000130676130 644740592 /nfs/dbraw/zinc/74/05/92/644740592.db2.gz AHLLQPSOSSUBKI-UHFFFAOYSA-N 0 3 386.930 1.827 20 30 GDEDHN C[C@@H]1CN(C(=[NH2+])NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCO1 ZINC000262646597 645135649 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398.326 1.796 20 30 GDEDHN C#CCN(C(=O)CNC(=O)c1cnc(Cl)c(Cl)c1)C1CCN(C)CC1 ZINC000886573571 657676992 /nfs/dbraw/zinc/67/69/92/657676992.db2.gz NLWFPDQPKIXNMG-UHFFFAOYSA-N 0 3 383.279 1.674 20 30 GDEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)Cc1c(Br)cnn1C ZINC000892463562 658328146 /nfs/dbraw/zinc/32/81/46/658328146.db2.gz JUBCJJVNEVBEMZ-NSHDSACASA-N 0 3 385.262 1.365 20 30 GDEDHN CC1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001571299440 946250791 /nfs/dbraw/zinc/25/07/91/946250791.db2.gz RJSMLPZDVQVZIB-QGZVFWFLSA-N 0 3 390.451 1.707 20 30 GDEDHN C=C(Br)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001571307297 946423245 /nfs/dbraw/zinc/42/32/45/946423245.db2.gz CSOVFPMXTFFHAD-CNDDSTCGSA-N 0 3 392.261 1.011 20 30 GDEDHN C=C(Br)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001571307297 946423253 /nfs/dbraw/zinc/42/32/53/946423253.db2.gz CSOVFPMXTFFHAD-CNDDSTCGSA-N 0 3 392.261 1.011 20 30 GDEDHN 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C[C@@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573572067 947109461 /nfs/dbraw/zinc/10/94/61/947109461.db2.gz DOEOLYKPTWDYFX-PRTUASRFSA-N 0 3 383.431 1.777 20 30 GDEDHN C[C@@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573572067 947109467 /nfs/dbraw/zinc/10/94/67/947109467.db2.gz DOEOLYKPTWDYFX-PRTUASRFSA-N 0 3 383.431 1.777 20 30 GDEDHN C[C@@H](C#N)C(=O)NC1(C2CC[NH+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)CC1 ZINC001573575725 947143192 /nfs/dbraw/zinc/14/31/92/947143192.db2.gz ZMZPPCISUZPNIA-AWEZNQCLSA-N 0 3 379.468 1.887 20 30 GDEDHN C[C@@H](C#N)C(=O)NCC1(C)CC[NH+](Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001573577023 947159496 /nfs/dbraw/zinc/15/94/96/947159496.db2.gz LBECAMJWYIWNTL-ZDUSSCGKSA-N 0 3 385.447 1.884 20 30 GDEDHN C[C@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573584181 947213613 /nfs/dbraw/zinc/21/36/13/947213613.db2.gz QZEBQSYUMOMBIN-LFVTVUPYSA-N 0 3 379.468 1.886 20 30 GDEDHN 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C=CCOCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC001573343257 947555599 /nfs/dbraw/zinc/55/55/99/947555599.db2.gz LQVPFSXCAZRESE-WKILWMFISA-N 0 3 388.447 1.725 20 30 GDEDHN C=CCOCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001573343257 947555610 /nfs/dbraw/zinc/55/56/10/947555610.db2.gz LQVPFSXCAZRESE-WKILWMFISA-N 0 3 388.447 1.725 20 30 GDEDHN C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)[C@H](C)C1 ZINC001573343567 947560004 /nfs/dbraw/zinc/56/00/04/947560004.db2.gz QIBYMNYDTQLEEU-UKRRQHHQSA-N 0 3 388.447 1.393 20 30 GDEDHN C=CCOCC(=O)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)[C@H](C)C1 ZINC001573343567 947560008 /nfs/dbraw/zinc/56/00/08/947560008.db2.gz QIBYMNYDTQLEEU-UKRRQHHQSA-N 0 3 388.447 1.393 20 30 GDEDHN C=CCOCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573343556 947560208 /nfs/dbraw/zinc/56/02/08/947560208.db2.gz QEWWLXUSBWGSSA-BBRMVZONSA-N 0 3 388.447 1.583 20 30 GDEDHN C=CCOCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573343556 947560215 /nfs/dbraw/zinc/56/02/15/947560215.db2.gz QEWWLXUSBWGSSA-BBRMVZONSA-N 0 3 388.447 1.583 20 30 GDEDHN C=CCOCCCC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C[C@@H]1C ZINC001573348116 947578789 /nfs/dbraw/zinc/57/87/89/947578789.db2.gz MHZOQXWYAPIVMQ-MAUKXSAKSA-N 0 3 384.484 1.929 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573351313 947612999 /nfs/dbraw/zinc/61/29/99/947612999.db2.gz QHBYTOODAOJRLJ-MRRJBJDNSA-N 0 3 388.447 1.533 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573351313 947613006 /nfs/dbraw/zinc/61/30/06/947613006.db2.gz QHBYTOODAOJRLJ-MRRJBJDNSA-N 0 3 388.447 1.533 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001573352049 947624296 /nfs/dbraw/zinc/62/42/96/947624296.db2.gz YXPFYXSRJAGZND-OTWHNJEPSA-N 0 3 396.495 1.929 20 30 GDEDHN 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NS(=O)(=O)c1cccc(NC(=O)CCN2CCS[C@H]3COCC[C@H]32)c1 ZINC000330177914 532117339 /nfs/dbraw/zinc/11/73/39/532117339.db2.gz LCYHTYKAYKUVHS-CABCVRRESA-N 0 3 385.511 1.518 20 30 GDEDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)CCN1C ZINC000330694901 532129620 /nfs/dbraw/zinc/12/96/20/532129620.db2.gz ZETQDCNMAZDTNH-KOLCDFICSA-N 0 3 390.303 1.884 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1 ZINC000429925987 532239159 /nfs/dbraw/zinc/23/91/59/532239159.db2.gz PMIQCGMCHHXIED-XHDPSFHLSA-N 0 3 385.467 1.071 20 30 GDEDHN C=CCN1CCC(NC(=O)C(=O)N(C)Cc2ccc(Br)o2)CC1 ZINC000553669192 650653303 /nfs/dbraw/zinc/65/33/03/650653303.db2.gz MUSUGLJWTSLBNC-UHFFFAOYSA-N 0 3 384.274 1.767 20 30 GDEDHN N#Cc1ccc(S(=O)(=O)CCNCCc2nc3c(s2)CCCC3)nc1 ZINC000564848258 650769754 /nfs/dbraw/zinc/76/97/54/650769754.db2.gz BKBVFHRNSNICIT-UHFFFAOYSA-N 0 3 376.507 1.895 20 30 GDEDHN CN(C[C@H]1CCCN1C)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000421313284 646004760 /nfs/dbraw/zinc/00/47/60/646004760.db2.gz 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654831406 /nfs/dbraw/zinc/83/14/06/654831406.db2.gz DFHBLXGKSUJVDZ-UHFFFAOYSA-N 0 3 391.273 1.805 20 30 GDEDHN O=C(NCCNCc1cccc(I)c1)C1N=CC=CC1=O ZINC000790545178 655051419 /nfs/dbraw/zinc/05/14/19/655051419.db2.gz SOSNRGUONNPSOD-PFONDFGASA-N 0 3 397.216 1.907 20 30 GDEDHN COCCNC(=O)C(C#N)C(=O)COc1ccc(Br)cc1C(C)=O ZINC000796788683 655220700 /nfs/dbraw/zinc/22/07/00/655220700.db2.gz LDHRBFYADCUQHU-ZDUSSCGKSA-N 0 3 397.225 1.502 20 30 GDEDHN C#CCN(C)CCCNC(=O)NC[C@@H](CO)Cc1ccc(Br)cc1 ZINC000838623437 655221000 /nfs/dbraw/zinc/22/10/00/655221000.db2.gz BPKJMXPDKRKCFV-INIZCTEOSA-N 0 3 396.329 1.854 20 30 GDEDHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000815530845 655299084 /nfs/dbraw/zinc/29/90/84/655299084.db2.gz ZVAUZHDSQPKWRX-LLVKDONJSA-N 0 3 379.258 1.860 20 30 GDEDHN CN1CC[C@@H](C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)S1(=O)=O ZINC000842690119 655371316 /nfs/dbraw/zinc/37/13/16/655371316.db2.gz OUETZKYJLWXQHF-NEPJUHHUSA-N 0 3 390.248 1.675 20 30 GDEDHN C#CCN(C)CCCNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000818615388 655377568 /nfs/dbraw/zinc/37/75/68/655377568.db2.gz MCFTUDPGBOPRIL-UHFFFAOYSA-N 0 3 397.273 1.865 20 30 GDEDHN C#CCOc1ccc(Br)cc1CNC[C@]1(OCCO)CCOC1 ZINC000850357289 655552870 /nfs/dbraw/zinc/55/28/70/655552870.db2.gz DUDORUDUPQQAIR-QGZVFWFLSA-N 0 3 384.270 1.719 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000876659294 656622302 /nfs/dbraw/zinc/62/23/02/656622302.db2.gz SLVVOBVDAPSYDU-JTQLQIEISA-N 0 3 377.816 1.134 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000876875306 656636700 /nfs/dbraw/zinc/63/67/00/656636700.db2.gz RJKHQCAEVZJBCM-LSDHHAIUSA-N 0 3 385.295 1.481 20 30 GDEDHN C#CCN(C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F)C1CCN(C)CC1 ZINC000886579988 657677069 /nfs/dbraw/zinc/67/70/69/657677069.db2.gz QLHSAQRJWMNOLQ-UHFFFAOYSA-N 0 3 387.864 1.296 20 30 GDEDHN C=CCNC(=O)c1cccnc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737147 720759447 /nfs/dbraw/zinc/75/94/47/720759447.db2.gz ABCSADXDIWHSJY-HOTGVXAUSA-N 0 3 380.452 1.129 20 30 GDEDHN N#Cc1c[nH]c2nc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)ncc12 ZINC001164865767 721123732 /nfs/dbraw/zinc/12/37/32/721123732.db2.gz PHDKYLLFFITNIN-IAGOWNOFSA-N 0 3 375.436 1.704 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@@]2(C)C1 ZINC001573285863 946789642 /nfs/dbraw/zinc/78/96/42/946789642.db2.gz PNEQVXBSLBUMAH-KLHJMIIUSA-N 0 3 394.479 1.185 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)C[C@@]2(C)C1 ZINC001573285863 946789646 /nfs/dbraw/zinc/78/96/46/946789646.db2.gz PNEQVXBSLBUMAH-KLHJMIIUSA-N 0 3 394.479 1.185 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N1C[C@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@@]2(C)C1 ZINC001573285863 946789651 /nfs/dbraw/zinc/78/96/51/946789651.db2.gz PNEQVXBSLBUMAH-KLHJMIIUSA-N 0 3 394.479 1.185 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N1C[C@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)C[C@@]2(C)C1 ZINC001573285863 946789653 /nfs/dbraw/zinc/78/96/53/946789653.db2.gz PNEQVXBSLBUMAH-KLHJMIIUSA-N 0 3 394.479 1.185 20 30 GDEDHN C#Cc1ccc(C(=O)N(C)C[C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001573287965 946851776 /nfs/dbraw/zinc/85/17/76/946851776.db2.gz GZVKPUYWQJSHMZ-AWEZNQCLSA-N 0 3 375.436 1.493 20 30 GDEDHN C#CCOCCC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC001573288780 946875972 /nfs/dbraw/zinc/87/59/72/946875972.db2.gz YKBSTVHKRUPBOV-YJBOKZPZSA-N 0 3 382.468 1.233 20 30 GDEDHN C#CCOCCC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC001573288780 946875982 /nfs/dbraw/zinc/87/59/82/946875982.db2.gz YKBSTVHKRUPBOV-YJBOKZPZSA-N 0 3 382.468 1.233 20 30 GDEDHN C#CCOc1ccc(C(=O)NC[C@@H](C)[NH2+]Cc2ccccc2-c2nnn[n-]2)cc1 ZINC001573290557 946906998 /nfs/dbraw/zinc/90/69/98/946906998.db2.gz ZFPJVRBVOIFVMW-OAHLLOKOSA-N 0 3 390.447 1.787 20 30 GDEDHN C#CCOc1ccc(C(=O)NC[C@@H](C)[NH2+]Cc2ccccc2-c2nn[n-]n2)cc1 ZINC001573290557 946907001 /nfs/dbraw/zinc/90/70/01/946907001.db2.gz ZFPJVRBVOIFVMW-OAHLLOKOSA-N 0 3 390.447 1.787 20 30 GDEDHN C=C(Br)CNC[C@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC1 ZINC001573293484 946958915 /nfs/dbraw/zinc/95/89/15/946958915.db2.gz XQOXDPOUNHAVIG-LBPRGKRZSA-N 0 3 380.250 1.201 20 30 GDEDHN C=CC(C)(C)CC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573304867 947145698 /nfs/dbraw/zinc/14/56/98/947145698.db2.gz IIBPVAXELRTYJI-QGZVFWFLSA-N 0 3 384.484 1.786 20 30 GDEDHN C[C@H](C#N)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573584986 947240562 /nfs/dbraw/zinc/24/05/62/947240562.db2.gz BOZZGXUUCBPCRH-UMVBOHGHSA-N 0 3 385.447 1.930 20 30 GDEDHN C[C@H](C#N)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001573584986 947240574 /nfs/dbraw/zinc/24/05/74/947240574.db2.gz BOZZGXUUCBPCRH-UMVBOHGHSA-N 0 3 385.447 1.930 20 30 GDEDHN C=CCCC[NH+]1CCC(CCOC)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573334262 947451800 /nfs/dbraw/zinc/45/18/00/947451800.db2.gz BZPLAUOSVMEKFD-UHFFFAOYSA-N 0 3 387.488 1.762 20 30 GDEDHN C=CCCC[NH+]1CCC(CCOC)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573334262 947451809 /nfs/dbraw/zinc/45/18/09/947451809.db2.gz BZPLAUOSVMEKFD-UHFFFAOYSA-N 0 3 387.488 1.762 20 30 GDEDHN C=CCCO[C@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573336602 947509358 /nfs/dbraw/zinc/50/93/58/947509358.db2.gz POJUBBKJCSNKAU-WBVHZDCISA-N 0 3 384.484 1.929 20 30 GDEDHN C=CCCO[C@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573336602 947509367 /nfs/dbraw/zinc/50/93/67/947509367.db2.gz POJUBBKJCSNKAU-WBVHZDCISA-N 0 3 384.484 1.929 20 30 GDEDHN C[C@H](CN(C)C(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574738982 950182248 /nfs/dbraw/zinc/18/22/48/950182248.db2.gz JYWQLYQFFRGBIR-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@H](CN(C)C(=O)c1c[nH]c(C#N)c1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574738982 950182261 /nfs/dbraw/zinc/18/22/61/950182261.db2.gz JYWQLYQFFRGBIR-LLVKDONJSA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575915254 950508471 /nfs/dbraw/zinc/50/84/71/950508471.db2.gz WQGJDRKGUUXLFL-WBMJQRKESA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575915254 950508491 /nfs/dbraw/zinc/50/84/91/950508491.db2.gz WQGJDRKGUUXLFL-WBMJQRKESA-N 0 3 376.424 1.459 20 30 GDEDHN N#Cc1ccc(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)[nH]1 ZINC001571121315 952519109 /nfs/dbraw/zinc/51/91/09/952519109.db2.gz YGIQQSSQLOOSCH-INIZCTEOSA-N 0 3 376.424 1.461 20 30 GDEDHN N#Cc1ccc(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)[nH]1 ZINC001571121315 952519115 /nfs/dbraw/zinc/51/91/15/952519115.db2.gz YGIQQSSQLOOSCH-INIZCTEOSA-N 0 3 376.424 1.461 20 30 GDEDHN N#Cc1ccc(C[NH2+]C2CC(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cc1 ZINC001571121303 952519764 /nfs/dbraw/zinc/51/97/64/952519764.db2.gz XZVKHOVWZCEUIO-UHFFFAOYSA-N 0 3 376.424 1.365 20 30 GDEDHN N#Cc1ccc(C[NH2+]C2CC(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cc1 ZINC001571121303 952519767 /nfs/dbraw/zinc/51/97/67/952519767.db2.gz XZVKHOVWZCEUIO-UHFFFAOYSA-N 0 3 376.424 1.365 20 30 GDEDHN CN(CCC#N)C(=O)CCN1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000181534170 530785667 /nfs/dbraw/zinc/78/56/67/530785667.db2.gz CJCMDIMWJPACKR-UHFFFAOYSA-N 0 3 384.527 1.253 20 30 GDEDHN CCN(CC)CCN(CCOC)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000125162154 531003423 /nfs/dbraw/zinc/00/34/23/531003423.db2.gz RJSGEACKBAMRCC-UHFFFAOYSA-N 0 3 375.441 1.815 20 30 GDEDHN C=CCNc1nnc(S(=O)(=O)C(C)C(=O)NCc2ccc(C)cc2)s1 ZINC000479018471 531352435 /nfs/dbraw/zinc/35/24/35/531352435.db2.gz ZVIVHKADKAMKJJ-GFCCVEGCSA-N 0 3 380.495 1.923 20 30 GDEDHN C#CCN(C)CCCNC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000293925007 531452738 /nfs/dbraw/zinc/45/27/38/531452738.db2.gz HGUACLVEMIJJHB-LLVKDONJSA-N 0 3 386.315 1.700 20 30 GDEDHN C=CCN1CCC(NC(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000280922824 531557922 /nfs/dbraw/zinc/55/79/22/531557922.db2.gz 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/nfs/dbraw/zinc/14/75/09/532147509.db2.gz YKNXBNNXXDVLMP-UHFFFAOYSA-N 0 3 383.290 1.688 20 30 GDEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[S@@](=O)CC[C@H]2C)cc1 ZINC000332262791 532175511 /nfs/dbraw/zinc/17/55/11/532175511.db2.gz FEPUQENYEGLWDH-VXMWWYGOSA-N 0 3 383.495 1.747 20 30 GDEDHN N=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)Nc1cc(F)ccc1F ZINC000288768864 532306921 /nfs/dbraw/zinc/30/69/21/532306921.db2.gz UGLPOEFKIZXCKH-GFCCVEGCSA-N 0 3 376.429 1.180 20 30 GDEDHN C#CCN1CCC(C(=O)Nc2ccc(N3CC[NH+](CC(=O)[O-])CC3)cc2)CC1 ZINC000736080046 600063564 /nfs/dbraw/zinc/06/35/64/600063564.db2.gz RFCQFPJVRZCUKL-UHFFFAOYSA-N 0 3 384.480 1.177 20 30 GDEDHN C[NH+](C)Cc1ccc(C(N)=NOCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821587203 606178588 /nfs/dbraw/zinc/17/85/88/606178588.db2.gz LKFPMWDLXLUVTO-UHFFFAOYSA-N 0 3 394.439 1.204 20 30 GDEDHN N#CCCC[C@H](N)C(=O)NCc1ccc(Br)cc1N1CCOCC1 ZINC000566295902 650839514 /nfs/dbraw/zinc/83/95/14/650839514.db2.gz ZHWNBDGBJPZVDU-HNNXBMFYSA-N 0 3 395.301 1.923 20 30 GDEDHN N#CC(C(=O)CCCc1ccc(Cl)cc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000112495425 644635563 /nfs/dbraw/zinc/63/55/63/644635563.db2.gz YIFJLYVJWSLZQK-OAHLLOKOSA-N 0 3 382.869 1.629 20 30 GDEDHN CC(C)CN1CCO[C@@H](CNC(=O)c2cc(Cl)sc2S(N)(=O)=O)C1 ZINC000330454693 645359932 /nfs/dbraw/zinc/35/99/32/645359932.db2.gz MLHHZKHRJVRCEY-JTQLQIEISA-N 0 3 395.934 1.710 20 30 GDEDHN CN(C[C@H]1CCCN1C)C(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000421296738 646002299 /nfs/dbraw/zinc/00/22/99/646002299.db2.gz KFOAWKCVIAKGHT-CYBMUJFWSA-N 0 3 379.258 1.812 20 30 GDEDHN CS(=O)(=O)N1CCC(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)CC1 ZINC000916911697 660203231 /nfs/dbraw/zinc/20/32/31/660203231.db2.gz WIOMHUKSIOHFNE-LBPRGKRZSA-N 0 3 383.857 1.659 20 30 GDEDHN C[C@H](NCCC(=O)Nc1sccc1C#N)c1cccc(S(N)(=O)=O)c1 ZINC000510951551 648346036 /nfs/dbraw/zinc/34/60/36/648346036.db2.gz LIUAOBDLOMLUAR-NSHDSACASA-N 0 3 378.479 1.947 20 30 GDEDHN N#Cc1cc(Br)ccc1CC(=O)N[C@H](CO)CN1CCCCC1 ZINC000593701359 652238878 /nfs/dbraw/zinc/23/88/78/652238878.db2.gz GNHMHVAJVFAKIG-INIZCTEOSA-N 0 3 380.286 1.826 20 30 GDEDHN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H](N)CCCCC#N)s1 ZINC000594429605 652283579 /nfs/dbraw/zinc/28/35/79/652283579.db2.gz SJBXIJRMMLEUPG-AWEZNQCLSA-N 0 3 386.543 1.806 20 30 GDEDHN C=C(Br)CNC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000829947324 654920328 /nfs/dbraw/zinc/92/03/28/654920328.db2.gz GNCKKNLGXWHFTL-UHFFFAOYSA-N 0 3 395.301 1.435 20 30 GDEDHN COC(=O)CCN1CCC(N=Nc2nc(Br)cn3ccnc23)CC1 ZINC000788715952 655004991 /nfs/dbraw/zinc/00/49/91/655004991.db2.gz GLMXICAMTQBKMR-UHFFFAOYSA-N 0 3 395.261 1.919 20 30 GDEDHN C#CC[N@@H+](C)CCC[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000815082182 655285983 /nfs/dbraw/zinc/28/59/83/655285983.db2.gz CTZWNHVQCANNLU-UHFFFAOYSA-N 0 3 393.278 1.830 20 30 GDEDHN C#CC[N@H+](C)CCC[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000815082182 655285984 /nfs/dbraw/zinc/28/59/84/655285984.db2.gz CTZWNHVQCANNLU-UHFFFAOYSA-N 0 3 393.278 1.830 20 30 GDEDHN CN1CC[C@H](C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)S1(=O)=O ZINC000842690120 655371269 /nfs/dbraw/zinc/37/12/69/655371269.db2.gz OUETZKYJLWXQHF-NWDGAFQWSA-N 0 3 390.248 1.675 20 30 GDEDHN C#CCN(C)CCCNS(=O)(=O)Cc1cc(F)ccc1Br ZINC000849395596 655526922 /nfs/dbraw/zinc/52/69/22/655526922.db2.gz XWOLPWYCFVUHBR-UHFFFAOYSA-N 0 3 377.279 1.963 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000876595357 656616681 /nfs/dbraw/zinc/61/66/81/656616681.db2.gz FAHMXFLDUYFQCV-LBPRGKRZSA-N 0 3 377.919 1.487 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000876637101 656620346 /nfs/dbraw/zinc/62/03/46/656620346.db2.gz IGLBIHFDGMEFRH-INIZCTEOSA-N 0 3 385.917 1.947 20 30 GDEDHN C#C[C@@H](NCc1ccc(S(N)(=O)=O)c(Br)c1)C1CCOCC1 ZINC000877636852 656684419 /nfs/dbraw/zinc/68/44/19/656684419.db2.gz CBSJKDFJKJOHQB-CQSZACIVSA-N 0 3 387.299 1.615 20 30 GDEDHN C=CCNC(=O)NC(=O)CN[C@](C)(CO)Cc1ccc(Br)cc1 ZINC000933436862 657280543 /nfs/dbraw/zinc/28/05/43/657280543.db2.gz IOKYUCFFSVAOFN-INIZCTEOSA-N 0 3 384.274 1.344 20 30 GDEDHN C#CCN(C(=O)CNC(=O)c1cccc(Br)c1)C1CCN(C)CC1 ZINC000886589274 657678089 /nfs/dbraw/zinc/67/80/89/657678089.db2.gz PBEBKVKEXGJDPG-UHFFFAOYSA-N 0 3 392.297 1.735 20 30 GDEDHN C#CCN1CCC(C(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)CC1 ZINC000889812129 658043630 /nfs/dbraw/zinc/04/36/30/658043630.db2.gz QFMMSRXGJVZISI-AWEZNQCLSA-N 0 3 391.269 1.169 20 30 GDEDHN Cc1cnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)c(C=NO)c1 ZINC001164899426 721427290 /nfs/dbraw/zinc/42/72/90/721427290.db2.gz YLAMUFFLDPUMBR-PZJWPPBQSA-N 0 3 387.528 1.964 20 30 GDEDHN C[N@H+](Cc1ccccc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001571298604 946222577 /nfs/dbraw/zinc/22/25/77/946222577.db2.gz HKIXVJTWYXKHAY-MRXNPFEDSA-N 0 3 390.451 1.803 20 30 GDEDHN C[N@@H+](Cc1ccccc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001571298604 946222583 /nfs/dbraw/zinc/22/25/83/946222583.db2.gz HKIXVJTWYXKHAY-MRXNPFEDSA-N 0 3 390.451 1.803 20 30 GDEDHN C[N@H+](Cc1ccccc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001571298604 946222590 /nfs/dbraw/zinc/22/25/90/946222590.db2.gz HKIXVJTWYXKHAY-MRXNPFEDSA-N 0 3 390.451 1.803 20 30 GDEDHN C[N@@H+](Cc1ccccc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001571298604 946222599 /nfs/dbraw/zinc/22/25/99/946222599.db2.gz HKIXVJTWYXKHAY-MRXNPFEDSA-N 0 3 390.451 1.803 20 30 GDEDHN C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)CC1 ZINC000823877649 946499006 /nfs/dbraw/zinc/49/90/06/946499006.db2.gz CEVFWOVFUKNMJY-UHFFFAOYSA-N 0 3 385.472 1.715 20 30 GDEDHN C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)CC1 ZINC000823877649 946499011 /nfs/dbraw/zinc/49/90/11/946499011.db2.gz CEVFWOVFUKNMJY-UHFFFAOYSA-N 0 3 385.472 1.715 20 30 GDEDHN C#CCCCC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)[C@H](OCC)C1 ZINC001573284458 946747255 /nfs/dbraw/zinc/74/72/55/946747255.db2.gz DAUINZURMZKKKF-IEBWSBKVSA-N 0 3 396.495 1.623 20 30 GDEDHN C#CCCCC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)[C@H](OCC)C1 ZINC001573284458 946747260 /nfs/dbraw/zinc/74/72/60/946747260.db2.gz DAUINZURMZKKKF-IEBWSBKVSA-N 0 3 396.495 1.623 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N[C@@](C)(C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001573285238 946773540 /nfs/dbraw/zinc/77/35/40/946773540.db2.gz FUNHQDGWGKHSQR-XOBRGWDASA-N 0 3 382.468 1.280 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N[C@@](C)(C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001573285238 946773554 /nfs/dbraw/zinc/77/35/54/946773554.db2.gz FUNHQDGWGKHSQR-XOBRGWDASA-N 0 3 382.468 1.280 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N1CCC(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573286331 946803049 /nfs/dbraw/zinc/80/30/49/946803049.db2.gz ZASJTDHNVWKLBI-HNNXBMFYSA-N 0 3 382.468 1.233 20 30 GDEDHN C#CCO[C@@H](C)C(=O)N1CCC(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573286331 946803061 /nfs/dbraw/zinc/80/30/61/946803061.db2.gz ZASJTDHNVWKLBI-HNNXBMFYSA-N 0 3 382.468 1.233 20 30 GDEDHN C#Cc1ccc(C(=O)NCC[C@H](C)[NH2+]Cc2ccccc2-c2nnn[n-]2)nc1 ZINC001573286710 946816868 /nfs/dbraw/zinc/81/68/68/946816868.db2.gz AJIYJWRJYYPDLN-AWEZNQCLSA-N 0 3 375.436 1.541 20 30 GDEDHN C#Cc1ccc(C(=O)NCC[C@H](C)[NH2+]Cc2ccccc2-c2nn[n-]n2)nc1 ZINC001573286710 946816890 /nfs/dbraw/zinc/81/68/90/946816890.db2.gz AJIYJWRJYYPDLN-AWEZNQCLSA-N 0 3 375.436 1.541 20 30 GDEDHN C#Cc1cncc(C(=O)NCCC[N@@H+](CC)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001573292078 946928483 /nfs/dbraw/zinc/92/84/83/946928483.db2.gz OFZMKUCEHTVBEF-UHFFFAOYSA-N 0 3 389.463 1.885 20 30 GDEDHN C#Cc1cncc(C(=O)NCCC[N@H+](CC)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001573292078 946928489 /nfs/dbraw/zinc/92/84/89/946928489.db2.gz OFZMKUCEHTVBEF-UHFFFAOYSA-N 0 3 389.463 1.885 20 30 GDEDHN C#Cc1cncc(C(=O)NCCC[N@@H+](CC)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573292078 946928500 /nfs/dbraw/zinc/92/85/00/946928500.db2.gz OFZMKUCEHTVBEF-UHFFFAOYSA-N 0 3 389.463 1.885 20 30 GDEDHN C#Cc1cncc(C(=O)NCCC[N@H+](CC)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573292078 946928506 /nfs/dbraw/zinc/92/85/06/946928506.db2.gz OFZMKUCEHTVBEF-UHFFFAOYSA-N 0 3 389.463 1.885 20 30 GDEDHN C=C(Br)CNC[C@H]1CCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573292903 946942987 /nfs/dbraw/zinc/94/29/87/946942987.db2.gz GROQNEWFXAVDGT-SNVBAGLBSA-N 0 3 380.250 1.298 20 30 GDEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573294346 946985432 /nfs/dbraw/zinc/98/54/32/946985432.db2.gz CPJCTIYXCIDMNA-QYZOEREBSA-N 0 3 396.495 1.929 20 30 GDEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573294346 946985447 /nfs/dbraw/zinc/98/54/47/946985447.db2.gz CPJCTIYXCIDMNA-QYZOEREBSA-N 0 3 396.495 1.929 20 30 GDEDHN C[C@H](C#N)C(=O)N[C@@H](C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001573571764 947102164 /nfs/dbraw/zinc/10/21/64/947102164.db2.gz AQFFEPVVVDBNTJ-PXAZEXFGSA-N 0 3 385.447 1.930 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573309382 947197722 /nfs/dbraw/zinc/19/77/22/947197722.db2.gz IDWDHGGTPZSAQI-YWZLYKJASA-N 0 3 384.484 1.522 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573309382 947197731 /nfs/dbraw/zinc/19/77/31/947197731.db2.gz IDWDHGGTPZSAQI-YWZLYKJASA-N 0 3 384.484 1.522 20 30 GDEDHN C=C[C@@H](CC)CC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573316138 947269430 /nfs/dbraw/zinc/26/94/30/947269430.db2.gz SAYUXNIAIRRDKT-MAUKXSAKSA-N 0 3 384.484 1.786 20 30 GDEDHN CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1 ZINC001573359117 947678627 /nfs/dbraw/zinc/67/86/27/947678627.db2.gz VPWDNVPZJUBWRZ-KRWDZBQOSA-N 0 3 381.484 1.973 20 30 GDEDHN C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575905427 950293645 /nfs/dbraw/zinc/29/36/45/950293645.db2.gz CJSIMSNERYOXOT-LRDDRELGSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[NH2+]Cc1ccc(C#N)s1 ZINC001574527537 950890444 /nfs/dbraw/zinc/89/04/44/950890444.db2.gz DADCZHLZSKNHGX-MNOVXSKESA-N 0 3 384.469 1.815 20 30 GDEDHN C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[NH2+]Cc1ccc(C#N)s1 ZINC001574527537 950890464 /nfs/dbraw/zinc/89/04/64/950890464.db2.gz DADCZHLZSKNHGX-MNOVXSKESA-N 0 3 384.469 1.815 20 30 GDEDHN C[C@H](C[C@H](C)NC(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001574528037 950922903 /nfs/dbraw/zinc/92/29/03/950922903.db2.gz KCGNSXYTHBEMHD-OLZOCXBDSA-N 0 3 378.440 1.753 20 30 GDEDHN C[C@H](C[C@H](C)NC(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001574528037 950922919 /nfs/dbraw/zinc/92/29/19/950922919.db2.gz KCGNSXYTHBEMHD-OLZOCXBDSA-N 0 3 378.440 1.753 20 30 GDEDHN CN(C)C[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CCO1 ZINC000177660339 530707773 /nfs/dbraw/zinc/70/77/73/530707773.db2.gz TUGOJVQZKSEMCB-LBPRGKRZSA-N 0 3 377.388 1.528 20 30 GDEDHN CCN1CCN(C[C@H](C)CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 ZINC000193900748 530995828 /nfs/dbraw/zinc/99/58/28/530995828.db2.gz BTNAYICHSNKDHA-CQSZACIVSA-N 0 3 384.933 1.764 20 30 GDEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(Br)ccc1OC ZINC000293467491 531423281 /nfs/dbraw/zinc/42/32/81/531423281.db2.gz UNZHPABEUSAGNH-UHFFFAOYSA-N 0 3 382.258 1.468 20 30 GDEDHN C#CCN(C)CCCNC(=O)c1ccc(Br)cc1-n1cncn1 ZINC000294098009 531461986 /nfs/dbraw/zinc/46/19/86/531461986.db2.gz YBBIHBHALPAPKB-UHFFFAOYSA-N 0 3 376.258 1.715 20 30 GDEDHN CN1CCC[C@H](N2CCN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CC2)C1 ZINC000362944937 531466798 /nfs/dbraw/zinc/46/67/98/531466798.db2.gz KEOSOQULVQXMBT-HNNXBMFYSA-N 0 3 382.917 1.612 20 30 GDEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1cc(OC)ncc1Br ZINC000622039799 531766962 /nfs/dbraw/zinc/76/69/62/531766962.db2.gz SUYGGZNDFQSRBY-VIFPVBQESA-N 0 3 377.260 1.458 20 30 GDEDHN CC(C)OC(=O)CNC(=O)C(C)S(=O)(=O)Cc1ccc(C#N)cc1Cl ZINC000593210849 531822319 /nfs/dbraw/zinc/82/23/19/531822319.db2.gz UGHZTOWYKWXVPT-NSHDSACASA-N 0 3 386.857 1.583 20 30 GDEDHN CN(C)CCCN(CCC#N)C(=O)Nc1cn(C)cc(Br)c1=O ZINC000596834457 531927738 /nfs/dbraw/zinc/92/77/38/531927738.db2.gz ZOZNFGBEQNMJBX-UHFFFAOYSA-N 0 3 384.278 1.847 20 30 GDEDHN Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@H](N)CCCC#N)CC2)c(C)s1 ZINC000424112139 532084335 /nfs/dbraw/zinc/08/43/35/532084335.db2.gz 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ZINC000763911669 655204558 /nfs/dbraw/zinc/20/45/58/655204558.db2.gz JTZRUNBUUDHOLV-CHWSQXEVSA-N 0 3 377.491 1.982 20 30 GDEDHN C#CCN(C)CCCNC(=O)NC[C@@H](CO)Cc1cccc(Br)c1 ZINC000838623421 655221163 /nfs/dbraw/zinc/22/11/63/655221163.db2.gz ADAVYZHBWMGTHG-INIZCTEOSA-N 0 3 396.329 1.854 20 30 GDEDHN C#CCN(C)CCCNS(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000815082188 655285988 /nfs/dbraw/zinc/28/59/88/655285988.db2.gz DDETXLOHAKUQTR-CQSZACIVSA-N 0 3 388.917 1.987 20 30 GDEDHN C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CC[NH3+])C(F)(F)F)ccc1F ZINC000825207105 655485790 /nfs/dbraw/zinc/48/57/90/655485790.db2.gz DDTIWPLFOPSYQL-GFCCVEGCSA-N 0 3 383.367 1.300 20 30 GDEDHN Brc1cc(N=NC2CCN(CCN3CCOCC3)CC2)ncn1 ZINC000872435874 656327024 /nfs/dbraw/zinc/32/70/24/656327024.db2.gz JIUYOPPJEOUTRE-UHFFFAOYSA-N 0 3 383.294 1.435 20 30 GDEDHN C#CCN(C)CCCNS(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 ZINC000872491691 656341279 /nfs/dbraw/zinc/34/12/79/656341279.db2.gz ZSIOHKAAFWTCJR-UHFFFAOYSA-N 0 3 383.901 1.848 20 30 GDEDHN 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/nfs/dbraw/zinc/21/46/98/946214698.db2.gz CWNWINXMIXSDAR-AWEZNQCLSA-N 0 3 390.451 1.661 20 30 GDEDHN C[N@@H+](Cc1ccccc1-c1nn[n-]n1)C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001571298328 946214708 /nfs/dbraw/zinc/21/47/08/946214708.db2.gz CWNWINXMIXSDAR-AWEZNQCLSA-N 0 3 390.451 1.661 20 30 GDEDHN C[N@H+](Cc1ccccc1-c1nn[n-]n1)C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001571298328 946214716 /nfs/dbraw/zinc/21/47/16/946214716.db2.gz CWNWINXMIXSDAR-AWEZNQCLSA-N 0 3 390.451 1.661 20 30 GDEDHN C#CCCCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573285012 946764202 /nfs/dbraw/zinc/76/42/02/946764202.db2.gz PYTAEFQPPWXDBZ-ZBFHGGJFSA-N 0 3 384.459 1.993 20 30 GDEDHN C#CCCCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573285012 946764213 /nfs/dbraw/zinc/76/42/13/946764213.db2.gz PYTAEFQPPWXDBZ-ZBFHGGJFSA-N 0 3 384.459 1.993 20 30 GDEDHN C#Cc1ccc(C(=O)NCC[C@@H](C)[NH2+]Cc2ccccc2-c2nnn[n-]2)nc1 ZINC001573286712 946817928 /nfs/dbraw/zinc/81/79/28/946817928.db2.gz AJIYJWRJYYPDLN-CQSZACIVSA-N 0 3 375.436 1.541 20 30 GDEDHN C#Cc1ccc(C(=O)NCC[C@@H](C)[NH2+]Cc2ccccc2-c2nn[n-]n2)nc1 ZINC001573286712 946817939 /nfs/dbraw/zinc/81/79/39/946817939.db2.gz AJIYJWRJYYPDLN-CQSZACIVSA-N 0 3 375.436 1.541 20 30 GDEDHN C=C(Br)CN[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC1 ZINC001573291850 946924160 /nfs/dbraw/zinc/92/41/60/946924160.db2.gz KRRHRPSDYUPHHM-LBPRGKRZSA-N 0 3 380.250 1.201 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC[C@]2(CC[N@H+](Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001573568094 947064545 /nfs/dbraw/zinc/06/45/45/947064545.db2.gz XRTIIELDNHNGCD-FOIQADDNSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC[C@]2(CC[N@@H+](Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001573568094 947064559 /nfs/dbraw/zinc/06/45/59/947064559.db2.gz XRTIIELDNHNGCD-FOIQADDNSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@H](C#N)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1-c1nnn[n-]1)C2 ZINC001573568122 947068459 /nfs/dbraw/zinc/06/84/59/947068459.db2.gz YAAOXMKAQOPJDJ-FOIQADDNSA-N 0 3 379.468 1.841 20 30 GDEDHN C[C@H](C#N)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1-c1nnn[n-]1)C2 ZINC001573568122 947068469 /nfs/dbraw/zinc/06/84/69/947068469.db2.gz YAAOXMKAQOPJDJ-FOIQADDNSA-N 0 3 379.468 1.841 20 30 GDEDHN C=CCC1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001573326809 947379852 /nfs/dbraw/zinc/37/98/52/947379852.db2.gz WCZGEKFUQUUAAQ-KRWDZBQOSA-N 0 3 384.484 1.570 20 30 GDEDHN C=CCC1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001573326809 947379866 /nfs/dbraw/zinc/37/98/66/947379866.db2.gz WCZGEKFUQUUAAQ-KRWDZBQOSA-N 0 3 384.484 1.570 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001573352051 947624231 /nfs/dbraw/zinc/62/42/31/947624231.db2.gz YXPFYXSRJAGZND-QRVBRYPASA-N 0 3 396.495 1.929 20 30 GDEDHN C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575890783 949965872 /nfs/dbraw/zinc/96/58/72/949965872.db2.gz ZVSINIRATCGCID-GUYCJALGSA-N 0 3 390.451 1.849 20 30 GDEDHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575915248 950510535 /nfs/dbraw/zinc/51/05/35/950510535.db2.gz WQGJDRKGUUXLFL-LRDDRELGSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575915248 950510556 /nfs/dbraw/zinc/51/05/56/950510556.db2.gz WQGJDRKGUUXLFL-LRDDRELGSA-N 0 3 376.424 1.459 20 30 GDEDHN C#CCOc1ccc(Br)cc1CNCC1(C(N)=O)CCOCC1 ZINC000119520892 530927270 /nfs/dbraw/zinc/92/72/70/530927270.db2.gz XLLKQCKJMWELJA-UHFFFAOYSA-N 0 3 381.270 1.833 20 30 GDEDHN C=CCNc1nnc(S(=O)(=O)C(C)C(=O)N(C)Cc2ccccc2)s1 ZINC000479003975 531350842 /nfs/dbraw/zinc/35/08/42/531350842.db2.gz YETUJCDXWQWYPK-GFCCVEGCSA-N 0 3 380.495 1.957 20 30 GDEDHN C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(N(C)C)CCSC2)cc1 ZINC000267092210 531396067 /nfs/dbraw/zinc/39/60/67/531396067.db2.gz IQMJFKNMAGZQFO-KRWDZBQOSA-N 0 3 383.539 1.318 20 30 GDEDHN C#CCN(C)CCCNC(=O)c1ccc(OC)c(I)n1 ZINC000294084924 531461092 /nfs/dbraw/zinc/46/10/92/531461092.db2.gz WZJNPESCYUHKEG-UHFFFAOYSA-N 0 3 387.221 1.380 20 30 GDEDHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCC(C#N)(COC)CC1 ZINC000451520566 531630922 /nfs/dbraw/zinc/63/09/22/531630922.db2.gz WKHPCNSEPUOUHW-LLVKDONJSA-N 0 3 386.392 1.452 20 30 GDEDHN C#CCN(C)CCCNC(=O)N[C@H](C(N)=O)c1cccc(Br)c1 ZINC000297027406 531750464 /nfs/dbraw/zinc/75/04/64/531750464.db2.gz VSXRIKPGSYMLRG-AWEZNQCLSA-N 0 3 381.274 1.230 20 30 GDEDHN CN1CCC[C@H]1C(=O)N1CCN(c2ncc(Br)cc2C#N)CC1 ZINC000297565499 531801964 /nfs/dbraw/zinc/80/19/64/531801964.db2.gz RUWOXUHXUCILRU-AWEZNQCLSA-N 0 3 378.274 1.459 20 30 GDEDHN CN(C)C[C@](C)(O)CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000592780401 531799060 /nfs/dbraw/zinc/79/90/60/531799060.db2.gz VMMMWMHFUUXIAZ-QGZVFWFLSA-N 0 3 395.301 1.186 20 30 GDEDHN CN1CCC(CCO)(NC(=O)Cc2ccc(Br)cc2C#N)CC1 ZINC000593585927 531845814 /nfs/dbraw/zinc/84/58/14/531845814.db2.gz POBJHCFZAHUUEQ-UHFFFAOYSA-N 0 3 380.286 1.826 20 30 GDEDHN C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2Br)CCN1C ZINC000419667969 531949456 /nfs/dbraw/zinc/94/94/56/531949456.db2.gz CPFQZSVGTFSHFF-CMPLNLGQSA-N 0 3 379.258 1.858 20 30 GDEDHN C#CCN1CCC(C(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000299467710 531993409 /nfs/dbraw/zinc/99/34/09/531993409.db2.gz UGWQECIBIRFJBO-OAHLLOKOSA-N 0 3 378.270 1.437 20 30 GDEDHN CS[C@@H]1CN(C(=O)Nc2nc(CN3CCOCC3)cs2)C[C@@H]1N(C)C ZINC000329029734 532094453 /nfs/dbraw/zinc/09/44/53/532094453.db2.gz WTRAGGODMFJDKC-UONOGXRCSA-N 0 3 385.559 1.498 20 30 GDEDHN CN(CCC#N)C(=O)CC[NH+]1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825914760 608204402 /nfs/dbraw/zinc/20/44/02/608204402.db2.gz MZMQYEGNVYFHHH-UHFFFAOYSA-N 0 3 383.456 1.472 20 30 GDEDHN CN(CCC#N)C(=O)CC[NH+]1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825914760 608204404 /nfs/dbraw/zinc/20/44/04/608204404.db2.gz MZMQYEGNVYFHHH-UHFFFAOYSA-N 0 3 383.456 1.472 20 30 GDEDHN N#CC(C(=O)NC1CC1)C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000129559023 644735512 /nfs/dbraw/zinc/73/55/12/644735512.db2.gz IHCVULQOWGCNJA-NWDGAFQWSA-N 0 3 390.237 1.789 20 30 GDEDHN N#CC(C(=O)CN1C(=O)c2ccc(Br)cc2C1=O)C(=O)NC1CC1 ZINC000916926797 660203596 /nfs/dbraw/zinc/20/35/96/660203596.db2.gz XXMKIHNNGUPOMC-LBPRGKRZSA-N 0 3 390.193 1.033 20 30 GDEDHN CC(C)NC(=O)C(C#N)C(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000916952522 660203808 /nfs/dbraw/zinc/20/38/08/660203808.db2.gz XABVCRXKBHATSO-LLVKDONJSA-N 0 3 394.225 1.408 20 30 GDEDHN CN(CC(=O)C(C#N)c1nc2ccccc2s1)C[C@@H]1CCS(=O)(=O)C1 ZINC000740888066 654675165 /nfs/dbraw/zinc/67/51/65/654675165.db2.gz MCUAFVXLMPMXSF-STQMWFEESA-N 0 3 377.491 1.839 20 30 GDEDHN C#CCCN1CCC(NC(=O)c2nc3ncc(Br)cn3n2)CC1 ZINC000743491039 654717081 /nfs/dbraw/zinc/71/70/81/654717081.db2.gz YGDQYMDXMIBQQP-UHFFFAOYSA-N 0 3 377.246 1.104 20 30 GDEDHN C#CCC[NH+]1CCC(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000743491707 654717098 /nfs/dbraw/zinc/71/70/98/654717098.db2.gz LOKBRCSHEOLIMV-UHFFFAOYSA-N 0 3 389.930 1.284 20 30 GDEDHN C#CCN(C)CCCNC(=O)N1CCC(n2cc(Br)cn2)CC1 ZINC000836489230 655145589 /nfs/dbraw/zinc/14/55/89/655145589.db2.gz VWAMNKBFKUJQJO-UHFFFAOYSA-N 0 3 382.306 1.947 20 30 GDEDHN C=CCN1CCC(NC(=O)C(=O)NCc2ccc(Br)cn2)CC1 ZINC000875182650 656517593 /nfs/dbraw/zinc/51/75/93/656517593.db2.gz UVFVXCHYCKMXLD-UHFFFAOYSA-N 0 3 381.274 1.227 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 ZINC000876551601 656612348 /nfs/dbraw/zinc/61/23/48/656612348.db2.gz UHKQPFNUNSHJRU-OAHLLOKOSA-N 0 3 385.917 1.606 20 30 GDEDHN C=C(Cl)C[C@@H](N)C(=O)NCc1ccc(S(=O)(=O)N(CC)CC)s1 ZINC000876570731 656615175 /nfs/dbraw/zinc/61/51/75/656615175.db2.gz MTIBMVRCVDOBGA-GFCCVEGCSA-N 0 3 379.935 1.865 20 30 GDEDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc(Br)c(C#N)n1 ZINC000883103614 657271203 /nfs/dbraw/zinc/27/12/03/657271203.db2.gz ZGAQIJXSZBFZTN-LBPRGKRZSA-N 0 3 395.305 1.863 20 30 GDEDHN C#CC[C@@H](CO)NCc1cc(I)c(OC)c(OC)c1 ZINC000883123637 657274115 /nfs/dbraw/zinc/27/41/15/657274115.db2.gz FQNTWMBLNKLDIQ-NSHDSACASA-N 0 3 375.206 1.782 20 30 GDEDHN C#CCN(C(=O)c1ccc(CCNS(C)(=O)=O)s1)C1CCN(C)CC1 ZINC000886585100 657676952 /nfs/dbraw/zinc/67/69/52/657676952.db2.gz HWZFRQFQPISWGM-UHFFFAOYSA-N 0 3 383.539 1.009 20 30 GDEDHN Nc1nc(N)nc(N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 ZINC000896391595 658774712 /nfs/dbraw/zinc/77/47/12/658774712.db2.gz MHUIFEHJGPOTOL-IMJSIDKUSA-N 0 3 378.227 1.643 20 30 GDEDHN CN(C)CC#CCNC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 ZINC000913515262 660084741 /nfs/dbraw/zinc/08/47/41/660084741.db2.gz PHNSFMVBDMTKKC-UHFFFAOYSA-N 0 3 385.917 1.712 20 30 GDEDHN Cc1cnc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)c(C=NO)c1 ZINC001164899428 721426938 /nfs/dbraw/zinc/42/69/38/721426938.db2.gz YLAMUFFLDPUMBR-TZIWHRDSSA-N 0 3 387.528 1.964 20 30 GDEDHN C=CCN(CC=C)[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)C(C)C ZINC000819740170 945276544 /nfs/dbraw/zinc/27/65/44/945276544.db2.gz RTQZNDKCTOAERQ-WBVHZDCISA-N 0 3 385.520 1.393 20 30 GDEDHN C=CCN(CC=C)[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)C(C)C ZINC000819740170 945276551 /nfs/dbraw/zinc/27/65/51/945276551.db2.gz RTQZNDKCTOAERQ-WBVHZDCISA-N 0 3 385.520 1.393 20 30 GDEDHN C#CCO[C@H](C)C(=O)NCC1([NH2+]Cc2ccccc2-c2nnn[n-]2)CCCC1 ZINC001573286503 946809026 /nfs/dbraw/zinc/80/90/26/946809026.db2.gz CRSIMLPNJYLGKT-OAHLLOKOSA-N 0 3 382.468 1.424 20 30 GDEDHN C#CCO[C@H](C)C(=O)NCC1([NH2+]Cc2ccccc2-c2nn[n-]n2)CCCC1 ZINC001573286503 946809035 /nfs/dbraw/zinc/80/90/35/946809035.db2.gz CRSIMLPNJYLGKT-OAHLLOKOSA-N 0 3 382.468 1.424 20 30 GDEDHN C=C(Br)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001573291427 946919382 /nfs/dbraw/zinc/91/93/82/946919382.db2.gz CKKAAGWNPIRPEV-CNDDSTCGSA-N 0 3 392.261 1.011 20 30 GDEDHN C=C(Br)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001573291427 946919389 /nfs/dbraw/zinc/91/93/89/946919389.db2.gz CKKAAGWNPIRPEV-CNDDSTCGSA-N 0 3 392.261 1.011 20 30 GDEDHN C=C(Br)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001573291427 946919397 /nfs/dbraw/zinc/91/93/97/946919397.db2.gz CKKAAGWNPIRPEV-CNDDSTCGSA-N 0 3 392.261 1.011 20 30 GDEDHN C=C(Br)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001573291427 946919401 /nfs/dbraw/zinc/91/94/01/946919401.db2.gz CKKAAGWNPIRPEV-CNDDSTCGSA-N 0 3 392.261 1.011 20 30 GDEDHN C#Cc1cncc(C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC001573291525 946920003 /nfs/dbraw/zinc/92/00/03/946920003.db2.gz FENDIQTVEPDUIF-LJQANCHMSA-N 0 3 387.447 1.637 20 30 GDEDHN C#Cc1cncc(C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(-c4nn[n-]n4)c3)C2)c1 ZINC001573291525 946920010 /nfs/dbraw/zinc/92/00/10/946920010.db2.gz FENDIQTVEPDUIF-LJQANCHMSA-N 0 3 387.447 1.637 20 30 GDEDHN C=C(Br)CN[C@H]1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573292779 946940206 /nfs/dbraw/zinc/94/02/06/946940206.db2.gz BTNPILSKEVNNBQ-JGZJWPJOSA-N 0 3 380.250 1.201 20 30 GDEDHN C[C@H](C#N)C(=O)N[C@H]1CC12CC[NH+](Cc1ccc(-c3nnn[n-]3)c(F)c1)CC2 ZINC001573572013 947107554 /nfs/dbraw/zinc/10/75/54/947107554.db2.gz CVFCMCLLZDSMFM-WBMJQRKESA-N 0 3 383.431 1.636 20 30 GDEDHN C=C[C@](C)(O)CC(=O)N(C)C1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573308975 947188262 /nfs/dbraw/zinc/18/82/62/947188262.db2.gz AJQVDIAKUIZHNW-FQEVSTJZSA-N 0 3 384.484 1.617 20 30 GDEDHN C=CCCCCC[NH2+][C@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573335159 947474965 /nfs/dbraw/zinc/47/49/65/947474965.db2.gz MVTXMYRHEFLNRD-LJQANCHMSA-N 0 3 387.488 1.498 20 30 GDEDHN C=CCCCCC[NH2+][C@]1(CO)CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573335159 947474974 /nfs/dbraw/zinc/47/49/74/947474974.db2.gz MVTXMYRHEFLNRD-LJQANCHMSA-N 0 3 387.488 1.498 20 30 GDEDHN C=CCCO[C@@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573336105 947501035 /nfs/dbraw/zinc/50/10/35/947501035.db2.gz INYUUHKERDMSJU-DOTOQJQBSA-N 0 3 384.484 1.786 20 30 GDEDHN C=CCCO[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573336105 947501048 /nfs/dbraw/zinc/50/10/48/947501048.db2.gz INYUUHKERDMSJU-DOTOQJQBSA-N 0 3 384.484 1.786 20 30 GDEDHN C=CCCO[C@@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573336105 947501057 /nfs/dbraw/zinc/50/10/57/947501057.db2.gz INYUUHKERDMSJU-DOTOQJQBSA-N 0 3 384.484 1.786 20 30 GDEDHN C=CCCO[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573336105 947501067 /nfs/dbraw/zinc/50/10/67/947501067.db2.gz INYUUHKERDMSJU-DOTOQJQBSA-N 0 3 384.484 1.786 20 30 GDEDHN C=CCCO[C@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573336108 947501270 /nfs/dbraw/zinc/50/12/70/947501270.db2.gz INYUUHKERDMSJU-WBVHZDCISA-N 0 3 384.484 1.786 20 30 GDEDHN C=CCCO[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573336108 947501278 /nfs/dbraw/zinc/50/12/78/947501278.db2.gz INYUUHKERDMSJU-WBVHZDCISA-N 0 3 384.484 1.786 20 30 GDEDHN C=CCCO[C@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573336108 947501287 /nfs/dbraw/zinc/50/12/87/947501287.db2.gz INYUUHKERDMSJU-WBVHZDCISA-N 0 3 384.484 1.786 20 30 GDEDHN C=CCCO[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573336108 947501297 /nfs/dbraw/zinc/50/12/97/947501297.db2.gz INYUUHKERDMSJU-WBVHZDCISA-N 0 3 384.484 1.786 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC001573350418 947597477 /nfs/dbraw/zinc/59/74/77/947597477.db2.gz DWEOLVZQQHFGIU-UXLLHSPISA-N 0 3 398.467 1.157 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC001573350418 947597489 /nfs/dbraw/zinc/59/74/89/947597489.db2.gz DWEOLVZQQHFGIU-UXLLHSPISA-N 0 3 398.467 1.157 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573351559 947617786 /nfs/dbraw/zinc/61/77/86/947617786.db2.gz RZJJZPBDUCSZEU-MRRJBJDNSA-N 0 3 388.447 1.533 20 30 GDEDHN C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573351559 947617796 /nfs/dbraw/zinc/61/77/96/947617796.db2.gz RZJJZPBDUCSZEU-MRRJBJDNSA-N 0 3 388.447 1.533 20 30 GDEDHN C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001342285253 948506014 /nfs/dbraw/zinc/50/60/14/948506014.db2.gz ZFKNIYSOVNSGAJ-IRXDYDNUSA-N 0 3 391.483 1.842 20 30 GDEDHN C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001342285253 948506023 /nfs/dbraw/zinc/50/60/23/948506023.db2.gz ZFKNIYSOVNSGAJ-IRXDYDNUSA-N 0 3 391.483 1.842 20 30 GDEDHN C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001342285253 948506031 /nfs/dbraw/zinc/50/60/31/948506031.db2.gz ZFKNIYSOVNSGAJ-IRXDYDNUSA-N 0 3 391.483 1.842 20 30 GDEDHN C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001342285253 948506039 /nfs/dbraw/zinc/50/60/39/948506039.db2.gz ZFKNIYSOVNSGAJ-IRXDYDNUSA-N 0 3 391.483 1.842 20 30 GDEDHN C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575908896 950381155 /nfs/dbraw/zinc/38/11/55/950381155.db2.gz WZWQSESHAKGSKX-HZMBPMFUSA-N 0 3 382.453 1.521 20 30 GDEDHN C[C@@H](CN(C)C(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574754119 950564195 /nfs/dbraw/zinc/56/41/95/950564195.db2.gz YCKJQYISVBCTOH-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@@H](CN(C)C(=O)c1ccc(C#N)[nH]1)[NH2+]Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001574754119 950564206 /nfs/dbraw/zinc/56/42/06/950564206.db2.gz YCKJQYISVBCTOH-NSHDSACASA-N 0 3 382.403 1.456 20 30 GDEDHN C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nnn[n-]2)c1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574529324 950952307 /nfs/dbraw/zinc/95/23/07/950952307.db2.gz QERCFHJLFLTQOL-STQMWFEESA-N 0 3 378.440 1.753 20 30 GDEDHN C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[n-]n2)c1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574529324 950952319 /nfs/dbraw/zinc/95/23/19/950952319.db2.gz QERCFHJLFLTQOL-STQMWFEESA-N 0 3 378.440 1.753 20 30 GDEDHN C[C@H](CNC(=O)c1ccc(C#N)[nH]1)C[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001575081215 951721230 /nfs/dbraw/zinc/72/12/30/951721230.db2.gz PXOWPGJGGPPSHT-NSHDSACASA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@H](CNC(=O)c1ccc(C#N)[nH]1)C[NH2+]Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001575081215 951721243 /nfs/dbraw/zinc/72/12/43/951721243.db2.gz PXOWPGJGGPPSHT-NSHDSACASA-N 0 3 382.403 1.361 20 30 GDEDHN C[C@@H](CNCc1cc(F)ccc1C#N)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575081227 951722340 /nfs/dbraw/zinc/72/23/40/951722340.db2.gz QELQSRXQBMTTHS-NSHDSACASA-N 0 3 382.403 1.361 20 30 GDEDHN N#Cc1cc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)cc3)C2)c[nH]1 ZINC001571120677 952507612 /nfs/dbraw/zinc/50/76/12/952507612.db2.gz PGCWNWGZCPJYIC-SAZUREKKSA-N 0 3 376.424 1.365 20 30 GDEDHN N#Cc1cc(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)cc3)C2)c[nH]1 ZINC001571120677 952507614 /nfs/dbraw/zinc/50/76/14/952507614.db2.gz PGCWNWGZCPJYIC-SAZUREKKSA-N 0 3 376.424 1.365 20 30 GDEDHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000183744496 530819912 /nfs/dbraw/zinc/81/99/12/530819912.db2.gz IQVRYZLRLCIQLO-AWEZNQCLSA-N 0 3 384.933 1.764 20 30 GDEDHN C=C(C)CN1CCC(NC(=O)CNC(=O)c2ccc(Br)o2)CC1 ZINC000106291095 530847723 /nfs/dbraw/zinc/84/77/23/530847723.db2.gz WLGZAFOHEKWWHQ-UHFFFAOYSA-N 0 3 384.274 1.929 20 30 GDEDHN CN(C)CCn1nnnc1SCC(=O)Nc1ccccc1SCC#N ZINC000108119554 530855990 /nfs/dbraw/zinc/85/59/90/530855990.db2.gz WJEVCKTXALSOFV-UHFFFAOYSA-N 0 3 377.499 1.581 20 30 GDEDHN N#Cc1cc(Br)ccc1CC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000593538194 531841407 /nfs/dbraw/zinc/84/14/07/531841407.db2.gz NKZGQIXEIYYKNE-MRXNPFEDSA-N 0 3 380.286 1.826 20 30 GDEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1)N(C)C1CC1 ZINC000287479439 532217670 /nfs/dbraw/zinc/21/76/70/532217670.db2.gz FKCLXQMMAUWQJO-JTQLQIEISA-N 0 3 379.258 1.858 20 30 GDEDHN N#Cc1cnn2c1NC[C@H](C[NH2+]CCSCc1ccccc1-c1nnn[n-]1)C2 ZINC000737729074 598519483 /nfs/dbraw/zinc/51/94/83/598519483.db2.gz ZPJCFRSCCFZACM-ZDUSSCGKSA-N 0 3 395.496 1.500 20 30 GDEDHN N#Cc1cnn2c1NC[C@H](C[NH2+]CCSCc1ccccc1-c1nn[n-]n1)C2 ZINC000737729074 598519484 /nfs/dbraw/zinc/51/94/84/598519484.db2.gz ZPJCFRSCCFZACM-ZDUSSCGKSA-N 0 3 395.496 1.500 20 30 GDEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000819745873 606646172 /nfs/dbraw/zinc/64/61/72/606646172.db2.gz SLFBZMDJWYEJAN-INIZCTEOSA-N 0 3 390.513 1.526 20 30 GDEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000819745873 606646173 /nfs/dbraw/zinc/64/61/73/606646173.db2.gz SLFBZMDJWYEJAN-INIZCTEOSA-N 0 3 390.513 1.526 20 30 GDEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000819745873 606646174 /nfs/dbraw/zinc/64/61/74/606646174.db2.gz SLFBZMDJWYEJAN-INIZCTEOSA-N 0 3 390.513 1.526 20 30 GDEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000819745873 606646175 /nfs/dbraw/zinc/64/61/75/606646175.db2.gz SLFBZMDJWYEJAN-INIZCTEOSA-N 0 3 390.513 1.526 20 30 GDEDHN COc1cc(CNC[C@@H](O)CN(C)CCC#N)cc(Br)c1OC ZINC000563881461 650741820 /nfs/dbraw/zinc/74/18/20/650741820.db2.gz JDTVJYGJYKPRBQ-CYBMUJFWSA-N 0 3 386.290 1.762 20 30 GDEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1cnn2cc(Br)cnc12 ZINC000179987588 644940570 /nfs/dbraw/zinc/94/05/70/644940570.db2.gz KSQCWLRVZICKRB-JTQLQIEISA-N 0 3 385.181 1.848 20 30 GDEDHN N#Cc1cccc(S(=O)(=O)CCNC[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000569568247 651004222 /nfs/dbraw/zinc/00/42/22/651004222.db2.gz IYAXNMWFCGVZRW-CQSZACIVSA-N 0 3 375.416 1.806 20 30 GDEDHN CCN1C[C@@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3ccc(C#N)s3)C2)[C@@H]1C(C)C ZINC000920301864 660269362 /nfs/dbraw/zinc/26/93/62/660269362.db2.gz GTMCVCPLOYOEFG-TXCZRRACSA-N 0 3 383.539 1.768 20 30 GDEDHN N#Cc1ccc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1Br ZINC000574824127 651572037 /nfs/dbraw/zinc/57/20/37/651572037.db2.gz UJLDMLQJCQHIDN-DGCLKSJQSA-N 0 3 378.230 1.096 20 30 GDEDHN N#Cc1cc(Br)ccc1CC(=O)NC[C@@H]1CCCCN1CCO ZINC000593732275 652245320 /nfs/dbraw/zinc/24/53/20/652245320.db2.gz LWCKNVKCWGMFIG-INIZCTEOSA-N 0 3 380.286 1.826 20 30 GDEDHN N#CCCCC[C@H](N)C(=O)N1CCN(c2ccc(Br)cn2)CC1 ZINC000594440578 652284706 /nfs/dbraw/zinc/28/47/06/652284706.db2.gz GBQZLQLETMLNNV-AWEZNQCLSA-N 0 3 380.290 1.904 20 30 GDEDHN N#Cc1ccc(OCC(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cc1Br ZINC000599938453 652519089 /nfs/dbraw/zinc/51/90/89/652519089.db2.gz AVRAFNIWSCFQLH-KGLIPLIRSA-N 0 3 394.269 1.367 20 30 GDEDHN CN1CCC[C@H]1C(=O)N1CCN(c2cc(C#N)c(Br)cn2)CC1 ZINC000603312972 652696978 /nfs/dbraw/zinc/69/69/78/652696978.db2.gz BMOBHCHNYMMHQD-AWEZNQCLSA-N 0 3 378.274 1.459 20 30 GDEDHN C[C@H](CSc1ccccc1)C(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000732909692 654493052 /nfs/dbraw/zinc/49/30/52/654493052.db2.gz FEGJRTJMYLPCNS-HIFRSBDPSA-N 0 3 380.491 1.381 20 30 GDEDHN C#CCOc1ccc(Br)cc1CNC1CC(NS(C)(=O)=O)C1 ZINC000800890252 654898814 /nfs/dbraw/zinc/89/88/14/654898814.db2.gz BYPPJSQNOGDITH-UHFFFAOYSA-N 0 3 387.299 1.631 20 30 GDEDHN C=C(Br)CNC(=O)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000808932584 655115544 /nfs/dbraw/zinc/11/55/44/655115544.db2.gz RSHUSYHFXHDCGE-ZDUSSCGKSA-N 0 3 395.301 1.748 20 30 GDEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCS(=O)(=O)N(C)C ZINC000795198576 655166380 /nfs/dbraw/zinc/16/63/80/655166380.db2.gz BEOFKUDIVXIZLR-UHFFFAOYSA-N 0 3 387.575 1.476 20 30 GDEDHN C#CCN(C)CCCNS(=O)(=O)c1cccc(I)c1 ZINC000815082592 655286199 /nfs/dbraw/zinc/28/61/99/655286199.db2.gz ANEVLSJNPZPAOO-UHFFFAOYSA-N 0 3 392.262 1.525 20 30 GDEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000815083401 655286115 /nfs/dbraw/zinc/28/61/15/655286115.db2.gz WOGHHVGNUAXOIK-UHFFFAOYSA-N 0 3 377.388 1.421 20 30 GDEDHN CCCCCCCS(=O)(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000841554863 655345167 /nfs/dbraw/zinc/34/51/67/655345167.db2.gz PPCWORICCJDLTM-UHFFFAOYSA-N 0 3 375.579 1.673 20 30 GDEDHN C=C(Cl)C[C@H](N)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000876564261 656614081 /nfs/dbraw/zinc/61/40/81/656614081.db2.gz HOIBFVJDCJYAQV-INIZCTEOSA-N 0 3 385.917 1.947 20 30 GDEDHN N#Cc1nc(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)ccc1Br ZINC000883084313 657268521 /nfs/dbraw/zinc/26/85/21/657268521.db2.gz NXCZPKSSSXCHLW-WDEREUQCSA-N 0 3 380.246 1.700 20 30 GDEDHN C#CCC1(NCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)CCC1 ZINC000933301722 657269091 /nfs/dbraw/zinc/26/90/91/657269091.db2.gz JRUFZBHINPIYPE-OAHLLOKOSA-N 0 3 380.535 1.799 20 30 GDEDHN C=CCN(CC=C)[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nnn[n-]3)cnn2C1)C(C)C ZINC000819740168 945277000 /nfs/dbraw/zinc/27/70/00/945277000.db2.gz RTQZNDKCTOAERQ-NVXWUHKLSA-N 0 3 385.520 1.393 20 30 GDEDHN C=CCN(CC=C)[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)C(C)C ZINC000819740168 945277004 /nfs/dbraw/zinc/27/70/04/945277004.db2.gz RTQZNDKCTOAERQ-NVXWUHKLSA-N 0 3 385.520 1.393 20 30 GDEDHN N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cc1 ZINC001571298162 946209267 /nfs/dbraw/zinc/20/92/67/946209267.db2.gz AXUAXPVBGARUJT-DLBZAZTESA-N 0 3 390.451 1.897 20 30 GDEDHN N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cc1 ZINC001571298162 946209278 /nfs/dbraw/zinc/20/92/78/946209278.db2.gz AXUAXPVBGARUJT-DLBZAZTESA-N 0 3 390.451 1.897 20 30 GDEDHN N#Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)[nH]1 ZINC001571298187 946209479 /nfs/dbraw/zinc/20/94/79/946209479.db2.gz BOMQOCPJQJJGBM-QGZVFWFLSA-N 0 3 390.451 1.851 20 30 GDEDHN N#Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)[nH]1 ZINC001571298187 946209488 /nfs/dbraw/zinc/20/94/88/946209488.db2.gz BOMQOCPJQJJGBM-QGZVFWFLSA-N 0 3 390.451 1.851 20 30 GDEDHN N#CCOc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cc1 ZINC001571309833 946456083 /nfs/dbraw/zinc/45/60/83/946456083.db2.gz MGCSSDAFCDBALD-HDJSIYSDSA-N 0 3 392.423 1.148 20 30 GDEDHN N#CCOc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cc1 ZINC001571309833 946456088 /nfs/dbraw/zinc/45/60/88/946456088.db2.gz MGCSSDAFCDBALD-HDJSIYSDSA-N 0 3 392.423 1.148 20 30 GDEDHN C#CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573283592 946720541 /nfs/dbraw/zinc/72/05/41/946720541.db2.gz VNNVZHVLYIEUEL-CRAIPNDOSA-N 0 3 381.484 1.925 20 30 GDEDHN C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573283592 946720549 /nfs/dbraw/zinc/72/05/49/946720549.db2.gz VNNVZHVLYIEUEL-CRAIPNDOSA-N 0 3 381.484 1.925 20 30 GDEDHN C#CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573283592 946720560 /nfs/dbraw/zinc/72/05/60/946720560.db2.gz VNNVZHVLYIEUEL-CRAIPNDOSA-N 0 3 381.484 1.925 20 30 GDEDHN C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573283592 946720566 /nfs/dbraw/zinc/72/05/66/946720566.db2.gz VNNVZHVLYIEUEL-CRAIPNDOSA-N 0 3 381.484 1.925 20 30 GDEDHN C#CCN(CC)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[C@H](C)[NH+](C)C ZINC001573284015 946732402 /nfs/dbraw/zinc/73/24/02/946732402.db2.gz ZCWCZGWQDFYFBI-AWEZNQCLSA-N 0 3 379.472 1.535 20 30 GDEDHN C#CCN(CC)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1C[C@H](C)[NH+](C)C ZINC001573284015 946732410 /nfs/dbraw/zinc/73/24/10/946732410.db2.gz ZCWCZGWQDFYFBI-AWEZNQCLSA-N 0 3 379.472 1.535 20 30 GDEDHN C#CCO[C@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573285576 946782463 /nfs/dbraw/zinc/78/24/63/946782463.db2.gz JBOFYKUKGNNVOS-UKRRQHHQSA-N 0 3 386.431 1.125 20 30 GDEDHN C#CCO[C@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573285576 946782470 /nfs/dbraw/zinc/78/24/70/946782470.db2.gz JBOFYKUKGNNVOS-UKRRQHHQSA-N 0 3 386.431 1.125 20 30 GDEDHN C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)[C@H](C)C1 ZINC001573286768 946818744 /nfs/dbraw/zinc/81/87/44/946818744.db2.gz IKMMVJGUJAITFY-CRAIPNDOSA-N 0 3 382.468 1.091 20 30 GDEDHN C#CCOCCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)[C@H](C)C1 ZINC001573286768 946818751 /nfs/dbraw/zinc/81/87/51/946818751.db2.gz IKMMVJGUJAITFY-CRAIPNDOSA-N 0 3 382.468 1.091 20 30 GDEDHN C#CCOc1ccc(C(=O)NCCC[NH2+]Cc2ccccc2-c2nnn[n-]2)cc1 ZINC001573287348 946834539 /nfs/dbraw/zinc/83/45/39/946834539.db2.gz BFXXTIMHNMSRKY-UHFFFAOYSA-N 0 3 390.447 1.788 20 30 GDEDHN C#CCOc1ccc(C(=O)NCCC[NH2+]Cc2ccccc2-c2nn[n-]n2)cc1 ZINC001573287348 946834546 /nfs/dbraw/zinc/83/45/46/946834546.db2.gz BFXXTIMHNMSRKY-UHFFFAOYSA-N 0 3 390.447 1.788 20 30 GDEDHN C#Cc1ccc(C(=O)N(C)[C@@H](C)C[NH2+]Cc2ccccc2-c2nnn[n-]2)nc1 ZINC001573290008 946898125 /nfs/dbraw/zinc/89/81/25/946898125.db2.gz SRZWRABEBSWLON-AWEZNQCLSA-N 0 3 375.436 1.493 20 30 GDEDHN C#Cc1ccc(C(=O)N(C)[C@@H](C)C[NH2+]Cc2ccccc2-c2nn[n-]n2)nc1 ZINC001573290008 946898139 /nfs/dbraw/zinc/89/81/39/946898139.db2.gz SRZWRABEBSWLON-AWEZNQCLSA-N 0 3 375.436 1.493 20 30 GDEDHN C#Cc1cncc(C(=O)N[C@H](C[NH2+]Cc2ccccc2-c2nnn[n-]2)C2CC2)c1 ZINC001573291631 946922354 /nfs/dbraw/zinc/92/23/54/946922354.db2.gz GTQJSXJRWWGGQU-LJQANCHMSA-N 0 3 387.447 1.541 20 30 GDEDHN C#Cc1cncc(C(=O)N[C@H](C[NH2+]Cc2ccccc2-c2nn[n-]n2)C2CC2)c1 ZINC001573291631 946922362 /nfs/dbraw/zinc/92/23/62/946922362.db2.gz GTQJSXJRWWGGQU-LJQANCHMSA-N 0 3 387.447 1.541 20 30 GDEDHN C=C(Br)C[NH2+]C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573293046 946947036 /nfs/dbraw/zinc/94/70/36/946947036.db2.gz KMUUSNLLVAAFIS-SNVBAGLBSA-N 0 3 380.250 1.155 20 30 GDEDHN C=C(Br)C[NH2+]C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573293046 946947041 /nfs/dbraw/zinc/94/70/41/946947041.db2.gz KMUUSNLLVAAFIS-SNVBAGLBSA-N 0 3 380.250 1.155 20 30 GDEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573294278 946982294 /nfs/dbraw/zinc/98/22/94/946982294.db2.gz AEURPVCGGXDTON-WBAXXEDZSA-N 0 3 384.484 1.784 20 30 GDEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573294278 946982299 /nfs/dbraw/zinc/98/22/99/946982299.db2.gz AEURPVCGGXDTON-WBAXXEDZSA-N 0 3 384.484 1.784 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC([C@@H](C)[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC001573564137 946990086 /nfs/dbraw/zinc/99/00/86/946990086.db2.gz GNADRPGJZUCSML-CHWSQXEVSA-N 0 3 385.447 1.882 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC([C@@H](C)[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC001573564137 946990090 /nfs/dbraw/zinc/99/00/90/946990090.db2.gz GNADRPGJZUCSML-CHWSQXEVSA-N 0 3 385.447 1.882 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CCC(CC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001573565354 947007710 /nfs/dbraw/zinc/00/77/10/947007710.db2.gz QJRXZFXLTIMBGD-ZDUSSCGKSA-N 0 3 385.447 1.884 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001573565398 947008844 /nfs/dbraw/zinc/00/88/44/947008844.db2.gz QSODJLDYMKWPEN-OLZOCXBDSA-N 0 3 385.447 1.882 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001573565398 947008855 /nfs/dbraw/zinc/00/88/55/947008855.db2.gz QSODJLDYMKWPEN-OLZOCXBDSA-N 0 3 385.447 1.882 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573567941 947059444 /nfs/dbraw/zinc/05/94/44/947059444.db2.gz VDVZHIOJONVWEV-HIFRSBDPSA-N 0 3 385.447 1.836 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573567941 947059455 /nfs/dbraw/zinc/05/94/55/947059455.db2.gz VDVZHIOJONVWEV-HIFRSBDPSA-N 0 3 385.447 1.836 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573567941 947059467 /nfs/dbraw/zinc/05/94/67/947059467.db2.gz VDVZHIOJONVWEV-HIFRSBDPSA-N 0 3 385.447 1.836 20 30 GDEDHN C[C@H](C#N)C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573567941 947059477 /nfs/dbraw/zinc/05/94/77/947059477.db2.gz VDVZHIOJONVWEV-HIFRSBDPSA-N 0 3 385.447 1.836 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)C1 ZINC001573567918 947060553 /nfs/dbraw/zinc/06/05/53/947060553.db2.gz UXOJCUCNOPSQTD-ORAYPTAESA-N 0 3 383.431 1.590 20 30 GDEDHN C[C@@H](C#N)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccc(F)c(-c4nnn[n-]4)c3)C2)C1 ZINC001573567918 947060560 /nfs/dbraw/zinc/06/05/60/947060560.db2.gz UXOJCUCNOPSQTD-ORAYPTAESA-N 0 3 383.431 1.590 20 30 GDEDHN C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)c(F)c3)CC[C@@H]2C1 ZINC001573569803 947078116 /nfs/dbraw/zinc/07/81/16/947078116.db2.gz FOAKVSQKFWBWNM-YUELXQCFSA-N 0 3 383.431 1.446 20 30 GDEDHN C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)c(F)c3)CC[C@@H]2C1 ZINC001573569803 947078129 /nfs/dbraw/zinc/07/81/29/947078129.db2.gz FOAKVSQKFWBWNM-YUELXQCFSA-N 0 3 383.431 1.446 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573309814 947209712 /nfs/dbraw/zinc/20/97/12/947209712.db2.gz OUQXFIBQSHDMGB-MBOZVWFJSA-N 0 3 384.484 1.711 20 30 GDEDHN C=C[C@@](C)(O)CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573309814 947209723 /nfs/dbraw/zinc/20/97/23/947209723.db2.gz OUQXFIBQSHDMGB-MBOZVWFJSA-N 0 3 384.484 1.711 20 30 GDEDHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575907802 950344153 /nfs/dbraw/zinc/34/41/53/950344153.db2.gz QWLUYYOMUPIAMF-SJKOYZFVSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC001575907802 950344171 /nfs/dbraw/zinc/34/41/71/950344171.db2.gz QWLUYYOMUPIAMF-SJKOYZFVSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575908366 950364887 /nfs/dbraw/zinc/36/48/87/950364887.db2.gz BJUDYJTYAQQRTI-BLLLJJGKSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001575908366 950364902 /nfs/dbraw/zinc/36/49/02/950364902.db2.gz BJUDYJTYAQQRTI-BLLLJJGKSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nnn[n-]2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001571120920 952512121 /nfs/dbraw/zinc/51/21/21/952512121.db2.gz UBQBRZUVLSCSFN-MLGOLLRUSA-N 0 3 376.424 1.459 20 30 GDEDHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2-c2nn[n-]n2)CCN1C(=O)c1cc(C#N)c[nH]1 ZINC001571120920 952512124 /nfs/dbraw/zinc/51/21/24/952512124.db2.gz UBQBRZUVLSCSFN-MLGOLLRUSA-N 0 3 376.424 1.459 20 30 GDEDHN N#Cc1c[nH]c(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)c1 ZINC001571155327 952695721 /nfs/dbraw/zinc/69/57/21/952695721.db2.gz OCOLVEQPGUZWCD-ZDUSSCGKSA-N 0 3 380.387 1.210 20 30 GDEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(Br)nc2)CC1 ZINC000158855302 530537108 /nfs/dbraw/zinc/53/71/08/530537108.db2.gz UUUIYNVIVPGZML-UHFFFAOYSA-N 0 3 381.274 1.939 20 30 GDEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1ccc(I)cc1 ZINC000180628342 530769250 /nfs/dbraw/zinc/76/92/50/530769250.db2.gz WPMZBAMVZFLZTO-JTQLQIEISA-N 0 3 393.246 1.897 20 30 GDEDHN C#CCN1CCC(C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000127537752 531031313 /nfs/dbraw/zinc/03/13/13/531031313.db2.gz JCVGOSSEVMQPHU-UHFFFAOYSA-N 0 3 389.930 1.141 20 30 GDEDHN C#CCN(C)CCCNC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000293984149 531456032 /nfs/dbraw/zinc/45/60/32/531456032.db2.gz NFYONOBPHGIFBT-UHFFFAOYSA-N 0 3 398.276 1.779 20 30 GDEDHN N#Cc1ccc(S(=O)(=O)CCNC[C@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000562987727 531793863 /nfs/dbraw/zinc/79/38/63/531793863.db2.gz JXBKWCUOPHKGER-CQSZACIVSA-N 0 3 375.416 1.806 20 30 GDEDHN N#Cc1ccc(S(=O)(=O)N[C@@H]2CNCCC2(F)F)cc1Br ZINC000564967251 531871494 /nfs/dbraw/zinc/87/14/94/531871494.db2.gz UTEDEUUFWGATPV-LLVKDONJSA-N 0 3 380.214 1.596 20 30 GDEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)N[C@H](CN)C1CC1 ZINC000420024983 531998238 /nfs/dbraw/zinc/99/82/38/531998238.db2.gz ATUIMKMYRKUUTN-OAHLLOKOSA-N 0 3 398.276 1.956 20 30 GDEDHN C=CCN1CCC(NC(=O)C(=O)NCc2cc(F)cc(Br)c2)CC1 ZINC000285286988 532060852 /nfs/dbraw/zinc/06/08/52/532060852.db2.gz CFEYTJMWQLXTHH-UHFFFAOYSA-N 0 3 398.276 1.971 20 30 GDEDHN N#CCCC[C@@H](N)C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000602543917 532080390 /nfs/dbraw/zinc/08/03/90/532080390.db2.gz CMCSGAYEAJBQEU-ZIAGYGMSSA-N 0 3 379.258 1.692 20 30 GDEDHN N#CCCC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000424082220 532082290 /nfs/dbraw/zinc/08/22/90/532082290.db2.gz WHUBSAMCVZWKPB-OAHLLOKOSA-N 0 3 384.889 1.194 20 30 GDEDHN N#Cc1ncn(CCNCc2cc(Br)c3c(c2)OCCCO3)n1 ZINC000285483110 532087373 /nfs/dbraw/zinc/08/73/73/532087373.db2.gz LMNRYTQNRMOBDB-UHFFFAOYSA-N 0 3 378.230 1.863 20 30 GDEDHN N#Cc1cc(N2CCN(C(=O)CN3CCCC3)CC2)ncc1Br ZINC000603287892 532088990 /nfs/dbraw/zinc/08/89/90/532088990.db2.gz LYCKPJHRKJWRSL-UHFFFAOYSA-N 0 3 378.274 1.460 20 30 GDEDHN CS[C@H]1CN(C(=O)Nc2nc(CN3CCOCC3)cs2)C[C@@H]1N(C)C ZINC000329029730 532095096 /nfs/dbraw/zinc/09/50/96/532095096.db2.gz WTRAGGODMFJDKC-KBPBESRZSA-N 0 3 385.559 1.498 20 30 GDEDHN NS(=O)(=O)c1cccc(NC(=O)CCN2CCS[C@@H]3COCC[C@H]32)c1 ZINC000330177916 532117521 /nfs/dbraw/zinc/11/75/21/532117521.db2.gz LCYHTYKAYKUVHS-HUUCEWRRSA-N 0 3 385.511 1.518 20 30 GDEDHN CCN(C1CCN(C(=O)NC[C@]2(N(C)C)CCSC2)CC1)S(C)(=O)=O ZINC000330033337 532112433 /nfs/dbraw/zinc/11/24/33/532112433.db2.gz ADYDKSXJZMSPEJ-MRXNPFEDSA-N 0 3 392.591 1.084 20 30 GDEDHN Cc1c(NC(=O)C(=O)NCC2(N(C)C)CC2)ccc(Br)c1C#N ZINC000425764974 532150950 /nfs/dbraw/zinc/15/09/50/532150950.db2.gz GMCHBJDLYPUEMW-UHFFFAOYSA-N 0 3 379.258 1.778 20 30 GDEDHN N#CC(C(=O)CN1C(=O)COc2cc(Br)ccc21)C(=O)NC1CC1 ZINC000916927380 660203649 /nfs/dbraw/zinc/20/36/49/660203649.db2.gz INVGRBAADBWWMX-NSHDSACASA-N 0 3 392.209 1.162 20 30 GDEDHN N#CCCC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000424061541 646158357 /nfs/dbraw/zinc/15/83/57/646158357.db2.gz FNPQRJCZSLCWPR-CQSZACIVSA-N 0 3 384.889 1.194 20 30 GDEDHN CS(=O)(=O)N1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000917072820 660205513 /nfs/dbraw/zinc/20/55/13/660205513.db2.gz RUGKLRPWFCQJTK-LBPRGKRZSA-N 0 3 378.479 1.050 20 30 GDEDHN CCN1C[C@]2(C[C@@H](O)[C@H](NS(=O)(=O)c3ccsc3C#N)C2)[C@H]1C(C)C ZINC000920303903 660269776 /nfs/dbraw/zinc/26/97/76/660269776.db2.gz TXTKGKDZHCVAFN-KFZJALRRSA-N 0 3 383.539 1.768 20 30 GDEDHN N#Cc1c(Br)cccc1OCC(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000599941695 652519463 /nfs/dbraw/zinc/51/94/63/652519463.db2.gz XHTYFRYTWWKZIN-OLZOCXBDSA-N 0 3 394.269 1.367 20 30 GDEDHN CNS(=O)(=O)[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000750199833 654849919 /nfs/dbraw/zinc/84/99/19/654849919.db2.gz HKGBPUXFJWOIMH-NEPJUHHUSA-N 0 3 378.479 1.096 20 30 GDEDHN C=C(Br)CNC(=O)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000808932583 655115539 /nfs/dbraw/zinc/11/55/39/655115539.db2.gz RSHUSYHFXHDCGE-CYBMUJFWSA-N 0 3 395.301 1.748 20 30 GDEDHN CS(=O)(=O)C1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000760933599 655129227 /nfs/dbraw/zinc/12/92/27/655129227.db2.gz PSLLDKGQIUPISK-ZDUSSCGKSA-N 0 3 377.491 1.982 20 30 GDEDHN C[C@H]1CN(CC(=O)C(C#N)c2nc3ccccc3s2)CCS(=O)(=O)C1 ZINC000763898875 655204386 /nfs/dbraw/zinc/20/43/86/655204386.db2.gz BUYLMLNXBVUHSJ-QWHCGFSZSA-N 0 3 377.491 1.839 20 30 GDEDHN COCCNC(=O)C(C#N)C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000796787415 655220697 /nfs/dbraw/zinc/22/06/97/655220697.db2.gz HGTPGRLXWRYGFF-AWEZNQCLSA-N 0 3 386.857 1.365 20 30 GDEDHN C#CCNC(=O)CCN[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000766039764 655256316 /nfs/dbraw/zinc/25/63/16/655256316.db2.gz WBKKNTDCPOROMA-MRXNPFEDSA-N 0 3 392.297 1.982 20 30 GDEDHN Cn1cnnc1COCC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000815909713 655308253 /nfs/dbraw/zinc/30/82/53/655308253.db2.gz GNZKTMSOOWUQDJ-GFCCVEGCSA-N 0 3 382.207 1.986 20 30 GDEDHN C#CCN(C)CCCNC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000818603127 655377207 /nfs/dbraw/zinc/37/72/07/655377207.db2.gz OFYAGSURSKSWAF-UHFFFAOYSA-N 0 3 383.901 1.419 20 30 GDEDHN CS(=O)(=O)N1CCC[C@H](C(=O)C(C#N)C(=O)Nc2ccccc2Cl)C1 ZINC000860468045 655801222 /nfs/dbraw/zinc/80/12/22/655801222.db2.gz AEWKJGKYSWJGGN-NWDGAFQWSA-N 0 3 383.857 1.659 20 30 GDEDHN N#C[C@H]1CNCC12CC(C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)C2 ZINC000884083294 657323790 /nfs/dbraw/zinc/32/37/90/657323790.db2.gz JPNBACAHTWJGJE-JZLYGMAVSA-N 0 3 381.885 1.369 20 30 GDEDHN C#CCN(C(=O)c1c(C)[nH]nc1I)C1CCN(C)CC1 ZINC000886573458 657676644 /nfs/dbraw/zinc/67/66/44/657676644.db2.gz JIKSYAHDHICUEQ-UHFFFAOYSA-N 0 3 386.237 1.492 20 30 GDEDHN CN(C)CCN(CCN(C)C)S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC000906910764 659616370 /nfs/dbraw/zinc/61/63/70/659616370.db2.gz CLLHCIYQQMLCDC-UHFFFAOYSA-N 0 3 380.539 1.887 20 30 GDEDHN