smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc2ccc(C#N)cc2c1C ZINC000550386888 854441948 /nfs/dbraw/zinc/44/19/48/854441948.db2.gz OCFDEZBBFNHPKF-SFHVURJKSA-N 1 3 398.576 3.570 20 30 GHEDHO C#CCOc1ccccc1CN1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856562218 881471794 /nfs/dbraw/zinc/47/17/94/881471794.db2.gz WJYBIMWOUIFRIR-HSZRJFAPSA-N 1 3 393.531 3.587 20 30 GHEDHO C#CCOc1ccccc1CN1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856562218 881471800 /nfs/dbraw/zinc/47/18/00/881471800.db2.gz WJYBIMWOUIFRIR-HSZRJFAPSA-N 1 3 393.531 3.587 20 30 GHEDHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000735491447 864829009 /nfs/dbraw/zinc/82/90/09/864829009.db2.gz HNMYPSHTWVDECD-XWTMOSNGSA-N 1 3 396.560 3.810 20 30 GHEDHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000735491447 864829022 /nfs/dbraw/zinc/82/90/22/864829022.db2.gz HNMYPSHTWVDECD-XWTMOSNGSA-N 1 3 396.560 3.810 20 30 GHEDHO CN1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(C#N)(c3ccc(Br)cc3)CC1)C2 ZINC001169143177 871251450 /nfs/dbraw/zinc/25/14/50/871251450.db2.gz YUHMFVRADIOABR-REPLKXPHSA-N 1 3 388.353 3.931 20 30 GHEDHO COc1ccc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)cc1C#N ZINC000850402195 876883268 /nfs/dbraw/zinc/88/32/68/876883268.db2.gz GIKCEJMLBYPOLL-QFIPXVFZSA-N 1 3 375.516 3.959 20 30 GHEDHO N=C(Nc1ccc([C@]23CC[NH2+][C@H]2COCC3)cc1)c1ccc2cc(O)ccc2c1 ZINC001171185321 902208968 /nfs/dbraw/zinc/20/89/68/902208968.db2.gz UYKPBQTZRKEQBY-LADGPHEKSA-N 1 3 387.483 3.602 20 30 GHEDHO CC(C)[NH+]1CCC(N[C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000925304098 931737861 /nfs/dbraw/zinc/73/78/61/931737861.db2.gz RCOJVEDXJASLDM-SFHVURJKSA-N 1 3 392.588 3.768 20 30 GHEDHO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000926543897 932222235 /nfs/dbraw/zinc/22/22/35/932222235.db2.gz YSCSQNXCOPFMRS-MVCQKVDPSA-N 1 3 390.572 3.521 20 30 GHEDHO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000926543897 932222241 /nfs/dbraw/zinc/22/22/41/932222241.db2.gz YSCSQNXCOPFMRS-MVCQKVDPSA-N 1 3 390.572 3.521 20 30 GHEDHO C=CCCCCC[C@H](N)C(=O)NC1CC[NH+](CCc2c[nH]c3ccccc23)CC1 ZINC001220525464 1031977188 /nfs/dbraw/zinc/97/71/88/1031977188.db2.gz FJVCHPNIWGHDPQ-QFIPXVFZSA-N 1 3 396.579 3.755 20 30 GHEDHO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C[C@@H]1CCCN(Cc3ccccc3)C1)CCO2 ZINC001208937989 1035105152 /nfs/dbraw/zinc/10/51/52/1035105152.db2.gz YWHINDIHAOISOR-DSNGMDLFSA-N 1 3 398.591 3.972 20 30 GHEDHO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](C[C@@H]1CCCN(Cc3ccccc3)C1)CCO2 ZINC001208937989 1035105159 /nfs/dbraw/zinc/10/51/59/1035105159.db2.gz YWHINDIHAOISOR-DSNGMDLFSA-N 1 3 398.591 3.972 20 30 GHEDHO C=CC[N@@H+](CCc1ccco1)Cc1ccc(CN(C)C)c2c1OC(F)(F)O2 ZINC001461998067 1069935938 /nfs/dbraw/zinc/93/59/38/1069935938.db2.gz IIGLYDRYILLHRC-UHFFFAOYSA-N 1 3 378.419 3.893 20 30 GHEDHO C=CC[N@H+](CCc1ccco1)Cc1ccc(CN(C)C)c2c1OC(F)(F)O2 ZINC001461998067 1069935944 /nfs/dbraw/zinc/93/59/44/1069935944.db2.gz IIGLYDRYILLHRC-UHFFFAOYSA-N 1 3 378.419 3.893 20 30 GHEDHO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](C1CCN(CCc3ccccc3)CC1)CCO2 ZINC001258141952 1044428807 /nfs/dbraw/zinc/42/88/07/1044428807.db2.gz QHEDXSLPIZYKKY-ILBGXUMGSA-N 1 3 398.591 3.767 20 30 GHEDHO C=CCOC[C@H]1CCC[C@@]12C[N@H+](C1CCN(CCc3ccccc3)CC1)CCO2 ZINC001258141952 1044428815 /nfs/dbraw/zinc/42/88/15/1044428815.db2.gz QHEDXSLPIZYKKY-ILBGXUMGSA-N 1 3 398.591 3.767 20 30 GHEDHO COCCN1CCC[C@H]1C[NH+]=C(NCc1ccc(C)cc1)Nc1ccccc1 ZINC000849074994 1057582187 /nfs/dbraw/zinc/58/21/87/1057582187.db2.gz XGRUNKUNJASODZ-QFIPXVFZSA-N 1 3 380.536 3.664 20 30 GHEDHO COc1cc(C#N)ccc1OCCN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001459665895 1064159969 /nfs/dbraw/zinc/15/99/69/1064159969.db2.gz DHZCDXKCXSHYOE-IBGZPJMESA-N 1 3 385.552 3.922 20 30 GHEDHO COc1cc(C#N)ccc1OCCN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001459665895 1064159974 /nfs/dbraw/zinc/15/99/74/1064159974.db2.gz DHZCDXKCXSHYOE-IBGZPJMESA-N 1 3 385.552 3.922 20 30 GHEDHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512637381 844849043 /nfs/dbraw/zinc/84/90/43/844849043.db2.gz VFCJUQKOZKSFEG-HXUWFJFHSA-N 1 3 394.538 3.946 20 30 GHEDHO CC[NH+]1CCC(N2CCCN(CC#Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000420984371 847590249 /nfs/dbraw/zinc/59/02/49/847590249.db2.gz STLJWGIPFUMMAK-UHFFFAOYSA-N 1 3 393.497 3.549 20 30 GHEDHO COc1ccc(C[NH+](C)C)cc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000542831132 856062298 /nfs/dbraw/zinc/06/22/98/856062298.db2.gz CSCBFOYAUVVYNU-UHFFFAOYSA-N 1 3 378.520 3.705 20 30 GHEDHO N#CCc1c(F)cccc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170527910 885538061 /nfs/dbraw/zinc/53/80/61/885538061.db2.gz CTYSERIUFQCGBP-UHFFFAOYSA-N 1 3 376.479 3.801 20 30 GHEDHO C[NH+]1CCC2(CCN(Cc3cn(CCC#N)nc3-c3ccccc3)CC2)CC1 ZINC000877685196 893762057 /nfs/dbraw/zinc/76/20/57/893762057.db2.gz PJPMRGJUHWBMLR-UHFFFAOYSA-N 1 3 377.536 3.772 20 30 GHEDHO CO[C@@H]1CC[N@@H+](Cc2cc(C#N)cc(CN3CC[C@H](OC)C[C@H]3C)c2)[C@H](C)C1 ZINC000878554921 894380023 /nfs/dbraw/zinc/38/00/23/894380023.db2.gz MQDSYNZLIQMJDB-GGILJOMBSA-N 1 3 385.552 3.557 20 30 GHEDHO CO[C@@H]1CC[N@H+](Cc2cc(C#N)cc(CN3CC[C@H](OC)C[C@H]3C)c2)[C@H](C)C1 ZINC000878554921 894380042 /nfs/dbraw/zinc/38/00/42/894380042.db2.gz MQDSYNZLIQMJDB-GGILJOMBSA-N 1 3 385.552 3.557 20 30 GHEDHO CO[C@@H]1CCN(Cc2cc(C#N)cc(C[N@@H+]3CC[C@H](OC)C[C@H]3C)c2)[C@H](C)C1 ZINC000878554921 894380059 /nfs/dbraw/zinc/38/00/59/894380059.db2.gz MQDSYNZLIQMJDB-GGILJOMBSA-N 1 3 385.552 3.557 20 30 GHEDHO CO[C@@H]1CCN(Cc2cc(C#N)cc(C[N@H+]3CC[C@H](OC)C[C@H]3C)c2)[C@H](C)C1 ZINC000878554921 894380078 /nfs/dbraw/zinc/38/00/78/894380078.db2.gz MQDSYNZLIQMJDB-GGILJOMBSA-N 1 3 385.552 3.557 20 30 GHEDHO C[C@H](CCCC#N)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1ccccn1 ZINC001172496092 905597430 /nfs/dbraw/zinc/59/74/30/905597430.db2.gz XHGDCGOHNSRCQC-KIFXHHALSA-N 1 3 396.579 3.714 20 30 GHEDHO C[C@H](CCCC#N)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1ccccn1 ZINC001172496092 905597438 /nfs/dbraw/zinc/59/74/38/905597438.db2.gz XHGDCGOHNSRCQC-KIFXHHALSA-N 1 3 396.579 3.714 20 30 GHEDHO C[C@H](CCCC#N)[N@@H+]1CC[C@@]2(CN(CC3CC3)C[C@@H]2COCc2ccccn2)C1 ZINC001172496092 905597450 /nfs/dbraw/zinc/59/74/50/905597450.db2.gz XHGDCGOHNSRCQC-KIFXHHALSA-N 1 3 396.579 3.714 20 30 GHEDHO C[C@H](CCCC#N)[N@H+]1CC[C@@]2(CN(CC3CC3)C[C@@H]2COCc2ccccn2)C1 ZINC001172496092 905597464 /nfs/dbraw/zinc/59/74/64/905597464.db2.gz XHGDCGOHNSRCQC-KIFXHHALSA-N 1 3 396.579 3.714 20 30 GHEDHO CCCCCCC[C@H](CCC)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001172511571 905605347 /nfs/dbraw/zinc/60/53/47/905605347.db2.gz UFAKVHNNNWZOSE-SFHVURJKSA-N 1 3 392.588 3.853 20 30 GHEDHO C=CC[C@@H](NCc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)c1ccncc1 ZINC001177885719 908783053 /nfs/dbraw/zinc/78/30/53/908783053.db2.gz SHUKSQCKURIPKC-QGZVFWFLSA-N 1 3 375.419 3.872 20 30 GHEDHO Cc1cccc(N2CCN(CCCC[NH2+][C@@H](C)c3cc(C#N)ccn3)CC2)c1 ZINC000902736948 922449295 /nfs/dbraw/zinc/44/92/95/922449295.db2.gz YRFSXUWTHAVFSO-FQEVSTJZSA-N 1 3 377.536 3.515 20 30 GHEDHO N#Cc1ccccc1O[C@@H]1CCC[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208954590 1035128051 /nfs/dbraw/zinc/12/80/51/1035128051.db2.gz WNISHYBBTHSCMK-JTHBVZDNSA-N 1 3 375.516 3.924 20 30 GHEDHO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208954590 1035128055 /nfs/dbraw/zinc/12/80/55/1035128055.db2.gz WNISHYBBTHSCMK-JTHBVZDNSA-N 1 3 375.516 3.924 20 30 GHEDHO N#CC1(c2ccc(F)cc2)CCC(N2CCC([NH3+])(Cc3ccccn3)CC2)CC1 ZINC001254351097 1040184405 /nfs/dbraw/zinc/18/44/05/1040184405.db2.gz SDZFLWGWGFCBCL-UHFFFAOYSA-N 1 3 392.522 3.961 20 30 GHEDHO C=CCN(CCN(Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1)C(=O)OCC ZINC001236534257 1041755620 /nfs/dbraw/zinc/75/56/20/1041755620.db2.gz ULTOZQWUUQQLGE-WGSAOQKQSA-N 1 3 377.504 3.542 20 30 GHEDHO N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000375750977 834599900 /nfs/dbraw/zinc/59/99/00/834599900.db2.gz POEARWYFILIPHR-QFIPXVFZSA-N 1 3 394.544 3.546 20 30 GHEDHO N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000375750977 834599908 /nfs/dbraw/zinc/59/99/08/834599908.db2.gz POEARWYFILIPHR-QFIPXVFZSA-N 1 3 394.544 3.546 20 30 GHEDHO Cc1ccccc1[C@H]1C[C@H](NC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C1 ZINC000262203521 859048237 /nfs/dbraw/zinc/04/82/37/859048237.db2.gz SMTDPFCOOAPPJI-AQYVVDRMSA-N 1 3 376.548 3.810 20 30 GHEDHO [NH2+]=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)NC1CCN(Cc2ccccc2)CC1 ZINC000262840693 882258280 /nfs/dbraw/zinc/25/82/80/882258280.db2.gz ULIKKGRFXNQXCT-LEWJYISDSA-N 1 3 382.939 3.765 20 30 GHEDHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000540597032 871663039 /nfs/dbraw/zinc/66/30/39/871663039.db2.gz JLYYOOSKWFKFFM-NRFANRHFSA-N 1 3 376.548 3.807 20 30 GHEDHO C#CCOc1ccccc1CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768668705 873493899 /nfs/dbraw/zinc/49/38/99/873493899.db2.gz ANBCBQYZRZGMBA-UHFFFAOYSA-N 1 3 389.543 3.520 20 30 GHEDHO N#CC1(c2ccnc(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)c2)CC1 ZINC001170526123 885484543 /nfs/dbraw/zinc/48/45/43/885484543.db2.gz PZVFSCFEXAJDFM-UHFFFAOYSA-N 1 3 385.515 3.546 20 30 GHEDHO N#Cc1ccc(N2CCC([NH2+]C[C@@H]3CCN(CCc4ccccc4)C3)CC2)cc1 ZINC000565132834 895413904 /nfs/dbraw/zinc/41/39/04/895413904.db2.gz GJXHWCJUZRMHQX-QHCPKHFHSA-N 1 3 388.559 3.681 20 30 GHEDHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)[C@H](C)C1 ZINC000571846756 899988387 /nfs/dbraw/zinc/98/83/87/899988387.db2.gz GTEXWFAXYMQWCG-DNVCBOLYSA-N 1 3 383.458 3.804 20 30 GHEDHO N=C(Nc1ccc(COC2CC[NH2+]CC2)cc1)c1ccc2cc(O)ccc2c1 ZINC001171182772 902175039 /nfs/dbraw/zinc/17/50/39/902175039.db2.gz SKDMNSITHKFEDH-UHFFFAOYSA-N 1 3 375.472 3.851 20 30 GHEDHO N#Cc1ccc(Oc2ccc(CN3CCOCC4(CC[NH2+]CC4)C3)cc2)cc1 ZINC001222407910 1030112616 /nfs/dbraw/zinc/11/26/16/1030112616.db2.gz RLLSODFRZUPBPX-UHFFFAOYSA-N 1 3 377.488 3.553 20 30 GHEDHO COCCCN(Cc1ccc(N(C)c2ccc(C#N)cc2)cc1)C1CC[NH2+]CC1 ZINC001235937821 1041443198 /nfs/dbraw/zinc/44/31/98/1041443198.db2.gz RCQTXPCYHRRLOC-UHFFFAOYSA-N 1 3 392.547 3.917 20 30 GHEDHO COCCC[N@H+](Cc1ccc(N(C)c2ccc(C#N)cc2)cc1)C1CCNCC1 ZINC001235937821 1041443207 /nfs/dbraw/zinc/44/32/07/1041443207.db2.gz RCQTXPCYHRRLOC-UHFFFAOYSA-N 1 3 392.547 3.917 20 30 GHEDHO COCCC[N@@H+](Cc1ccc(N(C)c2ccc(C#N)cc2)cc1)C1CCNCC1 ZINC001235937821 1041443216 /nfs/dbraw/zinc/44/32/16/1041443216.db2.gz RCQTXPCYHRRLOC-UHFFFAOYSA-N 1 3 392.547 3.917 20 30 GHEDHO Cc1nc(C2CC[NH2+]CC2)sc1CN1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001235970022 1041475298 /nfs/dbraw/zinc/47/52/98/1041475298.db2.gz XMTJWGZFTLDBOM-HXUWFJFHSA-N 1 3 396.560 3.834 20 30 GHEDHO Cc1nc(C2CC[NH2+]CC2)sc1CN1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001236583632 1041767770 /nfs/dbraw/zinc/76/77/70/1041767770.db2.gz YYSAUWDMEHRPCA-FQEVSTJZSA-N 1 3 396.560 3.834 20 30 GHEDHO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](C1CCN(CCc3ccccc3)CC1)CCO2 ZINC001258141953 1044429329 /nfs/dbraw/zinc/42/93/29/1044429329.db2.gz QHEDXSLPIZYKKY-UKILVPOCSA-N 1 3 398.591 3.767 20 30 GHEDHO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C1CCN(CCc3ccccc3)CC1)CCO2 ZINC001258141953 1044429357 /nfs/dbraw/zinc/42/93/57/1044429357.db2.gz QHEDXSLPIZYKKY-UKILVPOCSA-N 1 3 398.591 3.767 20 30 GHEDHO C#C[C@@H](NC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000262291277 849827299 /nfs/dbraw/zinc/82/72/99/849827299.db2.gz BUGUDWJTPKXCJA-OAQYLSRUSA-N 1 3 380.923 3.583 20 30 GHEDHO C#C[C@H](NC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000262291275 849827615 /nfs/dbraw/zinc/82/76/15/849827615.db2.gz BUGUDWJTPKXCJA-NRFANRHFSA-N 1 3 380.923 3.583 20 30 GHEDHO C=CC[C@@H]1N(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CCCC1(C)C ZINC000574098951 857245161 /nfs/dbraw/zinc/24/51/61/857245161.db2.gz SGUZPNOCJLFZTQ-NRFANRHFSA-N 1 3 375.601 3.776 20 30 GHEDHO CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000103174009 871419940 /nfs/dbraw/zinc/41/99/40/871419940.db2.gz VVMUPOVQYHOWLH-QHCPKHFHSA-N 1 3 376.548 3.691 20 30 GHEDHO C=C(C)COc1cc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ccc1OC ZINC000180996976 906892788 /nfs/dbraw/zinc/89/27/88/906892788.db2.gz HPOKZQYSBWXIAY-JOCHJYFZSA-N 1 3 396.531 3.507 20 30 GHEDHO C=C(C)COc1cc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)ccc1OC ZINC000180996976 906892795 /nfs/dbraw/zinc/89/27/95/906892795.db2.gz HPOKZQYSBWXIAY-JOCHJYFZSA-N 1 3 396.531 3.507 20 30 GHEDHO CCCCCCCCCCCCOCCOC[C@@H](O)CN1CC[C@H](C[NH3+])C1 ZINC001246042572 1037156838 /nfs/dbraw/zinc/15/68/38/1037156838.db2.gz CMHNTRJYYFDYNW-YADHBBJMSA-N 1 3 386.621 3.582 20 30 GHEDHO C=C1C[C@@H]2CC([NH2+][C@@H]3CCc4c(ccc(=O)n4CCN4CCCC4)C3)C[C@H](C1)C2 ZINC001257886532 1044244617 /nfs/dbraw/zinc/24/46/17/1044244617.db2.gz IFCNXNCFDSHNMS-SXYMUXSESA-N 1 3 395.591 3.526 20 30 GHEDHO COc1cc(C#N)ccc1OCCN[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248399453 855078823 /nfs/dbraw/zinc/07/88/23/855078823.db2.gz OVGOMPPXMVATJZ-HROJSSOGSA-N 1 3 393.531 3.692 20 30 GHEDHO COc1cc(C#N)ccc1OCCN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248399453 855078831 /nfs/dbraw/zinc/07/88/31/855078831.db2.gz OVGOMPPXMVATJZ-HROJSSOGSA-N 1 3 393.531 3.692 20 30 GHEDHO N#Cc1ccc(O[C@@H]2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)C2)nc1 ZINC000591037628 855731157 /nfs/dbraw/zinc/73/11/57/855731157.db2.gz DECDJQUBOZGYMS-JOCHJYFZSA-N 1 3 376.504 3.592 20 30 GHEDHO C=CCN1CCC(NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000171870897 865399687 /nfs/dbraw/zinc/39/96/87/865399687.db2.gz PJEWVSVIBNFJJQ-UHFFFAOYSA-N 1 3 384.568 3.512 20 30 GHEDHO CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000594254836 865615685 /nfs/dbraw/zinc/61/56/85/865615685.db2.gz LCFOVGFEJCNZTH-LJQANCHMSA-N 1 3 396.579 3.664 20 30 GHEDHO C[C@H]1C[C@H](C)CN(C(C)(C)C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000538397814 879419605 /nfs/dbraw/zinc/41/96/05/879419605.db2.gz XUVLZBXHXTXDLB-PMACEKPBSA-N 1 3 382.596 3.869 20 30 GHEDHO C=CCc1cc(OC)cc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1O ZINC000794668346 887714445 /nfs/dbraw/zinc/71/44/45/887714445.db2.gz SXGWJIMBKUTDTD-SZPZYZBQSA-N 1 3 378.516 3.693 20 30 GHEDHO C=CCc1cc(OC)cc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1O ZINC000794668346 887714449 /nfs/dbraw/zinc/71/44/49/887714449.db2.gz SXGWJIMBKUTDTD-SZPZYZBQSA-N 1 3 378.516 3.693 20 30 GHEDHO CCCCCCC[C@@H](C)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127506480 894826774 /nfs/dbraw/zinc/82/67/74/894826774.db2.gz UYGOWEWNUYUUPE-LJQANCHMSA-N 1 3 380.621 3.841 20 30 GHEDHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)c3ccc(OCC#N)cc3)cc2)CC1 ZINC000181518338 907018257 /nfs/dbraw/zinc/01/82/57/907018257.db2.gz YFSRAKFATADDHS-FQEVSTJZSA-N 1 3 392.547 3.577 20 30 GHEDHO COc1cc(C#N)ccc1OCCN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000303890156 915290986 /nfs/dbraw/zinc/29/09/86/915290986.db2.gz RVQDRSNINVXIDV-UHFFFAOYSA-N 1 3 393.531 3.790 20 30 GHEDHO COc1cc(C#N)ccc1OCCN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000303890156 915291003 /nfs/dbraw/zinc/29/10/03/915291003.db2.gz RVQDRSNINVXIDV-UHFFFAOYSA-N 1 3 393.531 3.790 20 30 GHEDHO C=CCN1C(=O)CCC[C@@]12CCCN(C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208942406 1035111572 /nfs/dbraw/zinc/11/15/72/1035111572.db2.gz QCHSPKKUTJKEOD-UPVQGACJSA-N 1 3 381.564 3.542 20 30 GHEDHO C=CCN1C(=O)CCC[C@@]12CCCN(C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208942406 1035111578 /nfs/dbraw/zinc/11/15/78/1035111578.db2.gz QCHSPKKUTJKEOD-UPVQGACJSA-N 1 3 381.564 3.542 20 30 GHEDHO CC[NH+](CC)Cc1ccccc1-c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001243334541 1036116961 /nfs/dbraw/zinc/11/69/61/1036116961.db2.gz AWSGZFOTWZFLJP-SFHVURJKSA-N 1 3 380.492 3.934 20 30 GHEDHO N#Cc1ccccc1OC1CC[NH+]([C@H]2CCN[C@H](Cc3ccccc3)C2)CC1 ZINC001246852090 1037677723 /nfs/dbraw/zinc/67/77/23/1037677723.db2.gz PAXJASTXXRHDSU-YADHBBJMSA-N 1 3 375.516 3.765 20 30 GHEDHO C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255150441 1040867246 /nfs/dbraw/zinc/86/72/46/1040867246.db2.gz UXRFCGLJAWXHCE-KJJMTIBFSA-N 1 3 383.536 3.559 20 30 GHEDHO C=CCOC(=O)N[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255150441 1040867252 /nfs/dbraw/zinc/86/72/52/1040867252.db2.gz UXRFCGLJAWXHCE-KJJMTIBFSA-N 1 3 383.536 3.559 20 30 GHEDHO C=C(C)COc1cc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)ccc1OC ZINC000657594946 848289155 /nfs/dbraw/zinc/28/91/55/848289155.db2.gz LMGUVJSTUXAMAL-QFIPXVFZSA-N 1 3 396.531 3.507 20 30 GHEDHO C=C(C)COc1cc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)ccc1OC ZINC000657594946 848289166 /nfs/dbraw/zinc/28/91/66/848289166.db2.gz LMGUVJSTUXAMAL-QFIPXVFZSA-N 1 3 396.531 3.507 20 30 GHEDHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCC(=O)Nc3cccc(C#N)c3)C2)s1 ZINC000571407474 853871002 /nfs/dbraw/zinc/87/10/02/853871002.db2.gz AKFSYUJMWABUEF-IBGZPJMESA-N 1 3 396.560 3.711 20 30 GHEDHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCC(=O)Nc3cccc(C#N)c3)C2)s1 ZINC000571407474 853871006 /nfs/dbraw/zinc/87/10/06/853871006.db2.gz AKFSYUJMWABUEF-IBGZPJMESA-N 1 3 396.560 3.711 20 30 GHEDHO CCOCCC[N@@H+]1CC[C@H](/[NH+]=C/c2ccc(N(CC)CC)cc2[O-])[C@H](C)C1 ZINC000734366227 864178432 /nfs/dbraw/zinc/17/84/32/864178432.db2.gz JMFXYIVBYVJVMK-MIBGBWTDSA-N 1 3 375.557 3.794 20 30 GHEDHO CCOCCC[N@H+]1CC[C@H](/[NH+]=C/c2ccc(N(CC)CC)cc2[O-])[C@H](C)C1 ZINC000734366227 864178437 /nfs/dbraw/zinc/17/84/37/864178437.db2.gz JMFXYIVBYVJVMK-MIBGBWTDSA-N 1 3 375.557 3.794 20 30 GHEDHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000539608326 869436030 /nfs/dbraw/zinc/43/60/30/869436030.db2.gz FFLKXOUYSRYOII-FQEVSTJZSA-N 1 3 394.538 3.946 20 30 GHEDHO C[NH+](C)CCCC1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000766991314 872117970 /nfs/dbraw/zinc/11/79/70/872117970.db2.gz BGXUYCHGYGBFOK-QGZVFWFLSA-N 1 3 384.549 3.526 20 30 GHEDHO C#C[C@@H](NC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1F ZINC000262686191 877015843 /nfs/dbraw/zinc/01/58/43/877015843.db2.gz YKQSGUQOTIEAHV-OAQYLSRUSA-N 1 3 398.913 3.722 20 30 GHEDHO COc1c(C#N)c(F)ccc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170528292 885548562 /nfs/dbraw/zinc/54/85/62/885548562.db2.gz KIMYGMXXBGBFMG-UHFFFAOYSA-N 1 3 392.478 3.615 20 30 GHEDHO N#CCCn1cc(CN2CCC(C[NH+]3CCCC3)CC2)c(-c2ccccc2)n1 ZINC000134191544 887841417 /nfs/dbraw/zinc/84/14/17/887841417.db2.gz FNWGMAPOWJCVRZ-UHFFFAOYSA-N 1 3 377.536 3.772 20 30 GHEDHO N#Cc1ccc(N2CCC([NH2+]C[C@H]3CNCC[C@H]3c3ccc(F)cc3)CC2)cc1 ZINC000562962861 893223626 /nfs/dbraw/zinc/22/36/26/893223626.db2.gz UNTZPCVNDYIHMX-YKSBVNFPSA-N 1 3 392.522 3.649 20 30 GHEDHO C[C@H](C#C[Si](C)(C)C)Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227163075 1032301627 /nfs/dbraw/zinc/30/16/27/1032301627.db2.gz AAWDXRJMHKITEO-GOSISDBHSA-N 1 3 389.660 3.520 20 30 GHEDHO COc1cccc(C[NH+]2CCC3(CCN(Cc4ccc(C#N)nc4)CC3)CC2)c1 ZINC001140541756 1021940357 /nfs/dbraw/zinc/94/03/57/1021940357.db2.gz SRIZWWSZSYYRHB-UHFFFAOYSA-N 1 3 390.531 3.840 20 30 GHEDHO C[NH+](C)CCOc1ccc(CN2CCC[C@H](Oc3ccccc3C#N)C2)cc1 ZINC001138772907 1025343476 /nfs/dbraw/zinc/34/34/76/1025343476.db2.gz IYZHAJDHYGIZCL-QFIPXVFZSA-N 1 3 379.504 3.542 20 30 GHEDHO CN(Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)cc(C#N)c1)CC2 ZINC001139877489 1026693204 /nfs/dbraw/zinc/69/32/04/1026693204.db2.gz LFBWKIMRBGDBKB-HXUWFJFHSA-N 1 3 383.467 3.546 20 30 GHEDHO CCCC[NH+](CCCC)CCNc1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001156905993 1033310584 /nfs/dbraw/zinc/31/05/84/1033310584.db2.gz ZMTIBNCLNDEVIG-KRWDZBQOSA-N 1 3 389.544 3.740 20 30 GHEDHO CN(Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(F)c(C#N)c1)CC2 ZINC001205467077 1033425563 /nfs/dbraw/zinc/42/55/63/1033425563.db2.gz HXUSTNATZCLGAD-LJQANCHMSA-N 1 3 383.467 3.546 20 30 GHEDHO C[NH+]1CCC(c2ccc(-c3nccnc3C(C#N)C(=O)OC(C)(C)C)cc2)CC1 ZINC001243653500 1036239000 /nfs/dbraw/zinc/23/90/00/1036239000.db2.gz XXNZKEGUWOKEIA-IBGZPJMESA-N 1 3 392.503 3.902 20 30 GHEDHO CCCCCCCCCCCCOCCOC[C@H](O)CNC[C@H]1CC[NH2+]C1 ZINC001245995882 1037117061 /nfs/dbraw/zinc/11/70/61/1037117061.db2.gz ULRUYZNEGGVPIR-FCHUYYIVSA-N 1 3 386.621 3.501 20 30 GHEDHO CCCCCCCCCCCCOCCOC[C@H](O)CN[C@H]1C[C@@](C)([NH3+])C1 ZINC001246009297 1037130121 /nfs/dbraw/zinc/13/01/21/1037130121.db2.gz JHGPEZLQRUEHEU-VSKRKVRLSA-N 1 3 386.621 3.771 20 30 GHEDHO C=CCOC(=O)N1CCC[C@]2(CCN([C@@H]3CC[NH2+]C4(CCCCC4)C3)C2)C1 ZINC001246552040 1037477038 /nfs/dbraw/zinc/47/70/38/1037477038.db2.gz UQBGMJXZTBILTE-TZIWHRDSSA-N 1 3 375.557 3.552 20 30 GHEDHO OC1(C[NH+]2CCC(C#Cc3ccccc3)CC2)CCN(Cc2ccccc2)CC1 ZINC001254041005 1039970223 /nfs/dbraw/zinc/97/02/23/1039970223.db2.gz GSFQVGNBELCEQK-UHFFFAOYSA-N 1 3 388.555 3.777 20 30 GHEDHO Cc1nc(C2CC[NH2+]CC2)sc1CN1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001236583633 1041767605 /nfs/dbraw/zinc/76/76/05/1041767605.db2.gz YYSAUWDMEHRPCA-HXUWFJFHSA-N 1 3 396.560 3.834 20 30 GHEDHO C[C@H]1C[NH+](CC2CCN(Cc3cccc(OCCCC#N)c3)CC2)C[C@H](C)O1 ZINC000092587193 844121600 /nfs/dbraw/zinc/12/16/00/844121600.db2.gz UJCMUSHWVLXXKC-PMACEKPBSA-N 1 3 385.552 3.690 20 30 GHEDHO C[C@H]1CN(CC2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)C[C@H](C)O1 ZINC000092587193 844121607 /nfs/dbraw/zinc/12/16/07/844121607.db2.gz UJCMUSHWVLXXKC-PMACEKPBSA-N 1 3 385.552 3.690 20 30 GHEDHO C[C@@H]1C[NH+](CC2CCN(Cc3cccc(OCCCC#N)c3)CC2)C[C@@H](C)O1 ZINC000092587194 844121675 /nfs/dbraw/zinc/12/16/75/844121675.db2.gz UJCMUSHWVLXXKC-WOJBJXKFSA-N 1 3 385.552 3.690 20 30 GHEDHO C[C@@H]1CN(CC2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)C[C@@H](C)O1 ZINC000092587194 844121678 /nfs/dbraw/zinc/12/16/78/844121678.db2.gz UJCMUSHWVLXXKC-WOJBJXKFSA-N 1 3 385.552 3.690 20 30 GHEDHO C=CCN1C(=O)CC[C@]12CCC[N@H+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)[C@@H]2CC ZINC001167988879 853745519 /nfs/dbraw/zinc/74/55/19/853745519.db2.gz ONVKWQWBNVWJHS-CXUBVSOCSA-N 1 3 385.596 3.813 20 30 GHEDHO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)[C@@H]2CC ZINC001167988879 853745527 /nfs/dbraw/zinc/74/55/27/853745527.db2.gz ONVKWQWBNVWJHS-CXUBVSOCSA-N 1 3 385.596 3.813 20 30 GHEDHO CC(C)(C#N)c1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000594501333 858193487 /nfs/dbraw/zinc/19/34/87/858193487.db2.gz UHDYJRMXGOJPPF-HSZRJFAPSA-N 1 3 377.532 3.734 20 30 GHEDHO CC(C)(C#N)c1ccc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000594501333 858193494 /nfs/dbraw/zinc/19/34/94/858193494.db2.gz UHDYJRMXGOJPPF-HSZRJFAPSA-N 1 3 377.532 3.734 20 30 GHEDHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000735491445 864827683 /nfs/dbraw/zinc/82/76/83/864827683.db2.gz HNMYPSHTWVDECD-XDNAFOTISA-N 1 3 396.560 3.810 20 30 GHEDHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000735491445 864827706 /nfs/dbraw/zinc/82/77/06/864827706.db2.gz HNMYPSHTWVDECD-XDNAFOTISA-N 1 3 396.560 3.810 20 30 GHEDHO [NH2+]=C(NC[C@H]1SCCc2ccccc21)NC1CCN(Cc2ccccc2)CC1 ZINC000262503102 865504985 /nfs/dbraw/zinc/50/49/85/865504985.db2.gz AKSGSEGYGRBKEW-JOCHJYFZSA-N 1 3 394.588 3.586 20 30 GHEDHO CCN1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(C#N)cc3F)cc2F)CC1 ZINC000781423564 930839500 /nfs/dbraw/zinc/83/95/00/930839500.db2.gz SADMPVPFWITQCT-INIZCTEOSA-N 1 3 384.474 3.829 20 30 GHEDHO C#C[C@@H](Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C)c1ccccc1 ZINC001227161869 1032300419 /nfs/dbraw/zinc/30/04/19/1032300419.db2.gz XWNSQLPYKXXLJR-HSZRJFAPSA-N 1 3 379.548 3.625 20 30 GHEDHO C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1ccc(C#N)cc1F)CC2 ZINC001140136857 1026910680 /nfs/dbraw/zinc/91/06/80/1026910680.db2.gz PVKBYCNVABHNOC-IBGZPJMESA-N 1 3 383.467 3.546 20 30 GHEDHO C[N@@H+](Cc1ccco1)[C@@H]1COC2(C1)CCN(Cc1ccc(C#N)cc1F)CC2 ZINC001140136857 1026910682 /nfs/dbraw/zinc/91/06/82/1026910682.db2.gz PVKBYCNVABHNOC-IBGZPJMESA-N 1 3 383.467 3.546 20 30 GHEDHO C=CCOC(=O)N1CCC2(C[NH+](C[C@@H]3CCCN(Cc4ccccc4)C3)C2)CC1 ZINC001208931224 1035093751 /nfs/dbraw/zinc/09/37/51/1035093751.db2.gz ILHOKAUJSXNDJB-JOCHJYFZSA-N 1 3 397.563 3.619 20 30 GHEDHO COc1ccc(CN([C@H](C)Cc2ccc(C#N)cc2)C2CC[NH2+]CC2)cc1F ZINC001246963904 1037785351 /nfs/dbraw/zinc/78/53/51/1037785351.db2.gz ZYXFSIACCDOVKA-QGZVFWFLSA-N 1 3 381.495 3.891 20 30 GHEDHO COc1cccc(C[NH+]2CCC3(CCN(Cc4ccnc(C#N)c4)CC3)CC2)c1 ZINC001237465630 1042219773 /nfs/dbraw/zinc/21/97/73/1042219773.db2.gz UIOJXZZMTWERON-UHFFFAOYSA-N 1 3 390.531 3.840 20 30 GHEDHO COc1cc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1C#N ZINC001238417778 1042589442 /nfs/dbraw/zinc/58/94/42/1042589442.db2.gz ZFWBIWXKKNHKAG-XZOQPEGZSA-N 1 3 375.516 3.911 20 30 GHEDHO COc1cc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1C#N ZINC001238417778 1042589445 /nfs/dbraw/zinc/58/94/45/1042589445.db2.gz ZFWBIWXKKNHKAG-XZOQPEGZSA-N 1 3 375.516 3.911 20 30 GHEDHO CC(C)(C)[NH2+]Cc1ccc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)cc1 ZINC001240368358 1042923534 /nfs/dbraw/zinc/92/35/34/1042923534.db2.gz TXOSAMXQCFGOCX-QGZVFWFLSA-N 1 3 380.492 3.981 20 30 GHEDHO Cn1cc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180165024 836475256 /nfs/dbraw/zinc/47/52/56/836475256.db2.gz XYBAOWXHIVAINL-JOCHJYFZSA-N 1 3 399.542 3.613 20 30 GHEDHO C=CCSc1ccccc1C(=O)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000422028845 846759766 /nfs/dbraw/zinc/75/97/66/846759766.db2.gz YPKDLWLZNCKAEP-UHFFFAOYSA-N 1 3 387.593 3.597 20 30 GHEDHO C=CCSc1ccccc1C(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000422028845 846759772 /nfs/dbraw/zinc/75/97/72/846759772.db2.gz YPKDLWLZNCKAEP-UHFFFAOYSA-N 1 3 387.593 3.597 20 30 GHEDHO N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000611622463 847600391 /nfs/dbraw/zinc/60/03/91/847600391.db2.gz JVQHVQDIGBPYPE-LADGPHEKSA-N 1 3 375.516 3.682 20 30 GHEDHO N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000611622463 847600396 /nfs/dbraw/zinc/60/03/96/847600396.db2.gz JVQHVQDIGBPYPE-LADGPHEKSA-N 1 3 375.516 3.682 20 30 GHEDHO CC[NH+]1CCC(N2CCC(C(=O)Nc3cccc(OCCCC#N)c3)CC2)CC1 ZINC000516582956 852753393 /nfs/dbraw/zinc/75/33/93/852753393.db2.gz XKENRPYHYFPCKP-UHFFFAOYSA-N 1 3 398.551 3.504 20 30 GHEDHO CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390572 859734108 /nfs/dbraw/zinc/73/41/08/859734108.db2.gz ITAWDANADOUCNG-VWLOTQADSA-N 1 3 388.559 3.863 20 30 GHEDHO Cc1oc2ccccc2c1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000262461992 864539653 /nfs/dbraw/zinc/53/96/53/864539653.db2.gz XRRDGFKXASVFNX-UHFFFAOYSA-N 1 3 376.504 3.810 20 30 GHEDHO C=CCN1CCC(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000171709500 865339474 /nfs/dbraw/zinc/33/94/74/865339474.db2.gz QKNPAHGVFDPCNL-LJQANCHMSA-N 1 3 384.568 3.511 20 30 GHEDHO C=CCN1CCC(NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000171709500 865339490 /nfs/dbraw/zinc/33/94/90/865339490.db2.gz QKNPAHGVFDPCNL-LJQANCHMSA-N 1 3 384.568 3.511 20 30 GHEDHO C[C@H](CCCC#N)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1ccccn1 ZINC001172497065 905597250 /nfs/dbraw/zinc/59/72/50/905597250.db2.gz XHGDCGOHNSRCQC-JCTONOIOSA-N 1 3 396.579 3.714 20 30 GHEDHO C[C@H](CCCC#N)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1ccccn1 ZINC001172497065 905597261 /nfs/dbraw/zinc/59/72/61/905597261.db2.gz XHGDCGOHNSRCQC-JCTONOIOSA-N 1 3 396.579 3.714 20 30 GHEDHO C[C@H](CCCC#N)[N@@H+]1CC[C@@]2(CN(CC3CC3)C[C@H]2COCc2ccccn2)C1 ZINC001172497065 905597277 /nfs/dbraw/zinc/59/72/77/905597277.db2.gz XHGDCGOHNSRCQC-JCTONOIOSA-N 1 3 396.579 3.714 20 30 GHEDHO C[C@H](CCCC#N)[N@H+]1CC[C@@]2(CN(CC3CC3)C[C@H]2COCc2ccccn2)C1 ZINC001172497065 905597293 /nfs/dbraw/zinc/59/72/93/905597293.db2.gz XHGDCGOHNSRCQC-JCTONOIOSA-N 1 3 396.579 3.714 20 30 GHEDHO N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCCC[C@H]3CCN3CCCC3)CC2)cc1 ZINC001173432279 906468161 /nfs/dbraw/zinc/46/81/61/906468161.db2.gz XCPVDZHUJKVRBQ-QFIPXVFZSA-N 1 3 394.563 3.503 20 30 GHEDHO N#Cc1ccc(C(=O)N2CCC([N@H+]3CCCC[C@H]3CCN3CCCC3)CC2)cc1 ZINC001173432279 906468174 /nfs/dbraw/zinc/46/81/74/906468174.db2.gz XCPVDZHUJKVRBQ-QFIPXVFZSA-N 1 3 394.563 3.503 20 30 GHEDHO C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1CCCC[N@H+]1C(C)C ZINC000412987602 928075378 /nfs/dbraw/zinc/07/53/78/928075378.db2.gz KKYQZRONEMJNMF-LJQANCHMSA-N 1 3 391.629 3.848 20 30 GHEDHO C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1CCCC[N@@H+]1C(C)C ZINC000412987602 928075404 /nfs/dbraw/zinc/07/54/04/928075404.db2.gz KKYQZRONEMJNMF-LJQANCHMSA-N 1 3 391.629 3.848 20 30 GHEDHO CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1O[C@@H](C#N)c1cccc(F)c1 ZINC001227166344 1032302955 /nfs/dbraw/zinc/30/29/55/1032302955.db2.gz XLJQDKIVCBVKAT-QFIPXVFZSA-N 1 3 398.526 3.654 20 30 GHEDHO C[NH+](C)CCOc1ccc(CN2CCC[C@@H](Oc3ccccc3C#N)C2)cc1 ZINC001138772906 1025343027 /nfs/dbraw/zinc/34/30/27/1025343027.db2.gz IYZHAJDHYGIZCL-JOCHJYFZSA-N 1 3 379.504 3.542 20 30 GHEDHO N#Cc1ccc2[nH]cc(CN3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001140114230 1026895843 /nfs/dbraw/zinc/89/58/43/1026895843.db2.gz SGHAXBXOJNWZBQ-UHFFFAOYSA-N 1 3 385.515 3.923 20 30 GHEDHO N#Cc1ccc2[nH]cc(CN3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001140114230 1026895854 /nfs/dbraw/zinc/89/58/54/1026895854.db2.gz SGHAXBXOJNWZBQ-UHFFFAOYSA-N 1 3 385.515 3.923 20 30 GHEDHO N#CC1(c2cccnc2-c2ccncc2C[NH3+])CCN(Cc2ccccc2)CC1 ZINC001245554623 1036951211 /nfs/dbraw/zinc/95/12/11/1036951211.db2.gz DCFXCRYBTXQUBG-UHFFFAOYSA-N 1 3 383.499 3.660 20 30 GHEDHO N#Cc1cccc(O[C@@H]2CCC[N@@H+]([C@H]3CCN[C@@H](Cc4ccccc4)C3)C2)c1 ZINC001246847908 1037674429 /nfs/dbraw/zinc/67/44/29/1037674429.db2.gz YVYYEMOTHMFNRV-WPFOTENUSA-N 1 3 375.516 3.765 20 30 GHEDHO N#Cc1cccc(O[C@@H]2CCC[N@H+]([C@H]3CCN[C@@H](Cc4ccccc4)C3)C2)c1 ZINC001246847908 1037674435 /nfs/dbraw/zinc/67/44/35/1037674435.db2.gz YVYYEMOTHMFNRV-WPFOTENUSA-N 1 3 375.516 3.765 20 30 GHEDHO Cc1ccc(CN2CCC3(C[C@@H]([N@H+](C)Cc4ccco4)CO3)CC2)c(C#N)c1 ZINC001232965220 1038739377 /nfs/dbraw/zinc/73/93/77/1038739377.db2.gz QQZBWCQZBFDJJU-OAQYLSRUSA-N 1 3 379.504 3.715 20 30 GHEDHO Cc1ccc(CN2CCC3(C[C@@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c(C#N)c1 ZINC001232965220 1038739382 /nfs/dbraw/zinc/73/93/82/1038739382.db2.gz QQZBWCQZBFDJJU-OAQYLSRUSA-N 1 3 379.504 3.715 20 30 GHEDHO C[C@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001308487597 1049988101 /nfs/dbraw/zinc/98/81/01/1049988101.db2.gz CWGXVNPZLLJORZ-WMZHIEFXSA-N 1 3 399.542 3.816 20 30 GHEDHO C=CCOc1ccccc1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000849089202 1057589033 /nfs/dbraw/zinc/58/90/33/1057589033.db2.gz FMGGGEUKQHWBOF-UHFFFAOYSA-N 1 3 378.520 3.530 20 30 GHEDHO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)c(C#N)c1C ZINC000274828202 835668465 /nfs/dbraw/zinc/66/84/65/835668465.db2.gz LJCIGNNMDKOJTD-HZUJVAHNSA-N 1 3 394.519 3.595 20 30 GHEDHO C#CCOc1ccccc1CN1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856562219 881470013 /nfs/dbraw/zinc/47/00/13/881470013.db2.gz WJYBIMWOUIFRIR-QHCPKHFHSA-N 1 3 393.531 3.587 20 30 GHEDHO C#CCOc1ccccc1CN1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856562219 881470019 /nfs/dbraw/zinc/47/00/19/881470019.db2.gz WJYBIMWOUIFRIR-QHCPKHFHSA-N 1 3 393.531 3.587 20 30 GHEDHO Cc1cc(Cl)c(C#N)c(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170526177 885486433 /nfs/dbraw/zinc/48/64/33/885486433.db2.gz VYEPZILBXGSOAT-UHFFFAOYSA-N 1 3 393.922 3.825 20 30 GHEDHO N#Cc1ccc(N2CCC([NH2+]C[C@H]3CCN(CCc4ccccc4)C3)CC2)cc1 ZINC000565132833 895414035 /nfs/dbraw/zinc/41/40/35/895414035.db2.gz GJXHWCJUZRMHQX-HSZRJFAPSA-N 1 3 388.559 3.681 20 30 GHEDHO CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1O[C@@H](CC#N)c1ccccc1 ZINC001227161838 1032300577 /nfs/dbraw/zinc/30/05/77/1032300577.db2.gz XNGWCDFHOBSLKG-QHCPKHFHSA-N 1 3 394.563 3.905 20 30 GHEDHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC001203902813 1027696928 /nfs/dbraw/zinc/69/69/28/1027696928.db2.gz LHQXXIOWWQMFNN-FQEVSTJZSA-N 1 3 381.545 3.875 20 30 GHEDHO N#Cc1c(NC(=O)[C@@H](N)CCCC[NH3+])oc(-c2ccccc2)c1-c1ccccc1 ZINC001218553951 1030984632 /nfs/dbraw/zinc/98/46/32/1030984632.db2.gz OEFQHJCUUHUMAW-IBGZPJMESA-N 1 3 388.471 3.880 20 30 GHEDHO C=C(C)COc1cccc(NC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)c1 ZINC000584789383 840874270 /nfs/dbraw/zinc/87/42/70/840874270.db2.gz WNEWWOJDUGHDBD-UHFFFAOYSA-N 1 3 385.552 3.776 20 30 GHEDHO C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000133174361 855495570 /nfs/dbraw/zinc/49/55/70/855495570.db2.gz YYDMPPFRJIZZGN-ROUUACIJSA-N 1 3 378.944 3.969 20 30 GHEDHO CC(C)(C#N)c1ccc(CNCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000594498715 858193624 /nfs/dbraw/zinc/19/36/24/858193624.db2.gz UIRKXUDJYPCATM-UHFFFAOYSA-N 1 3 377.532 3.734 20 30 GHEDHO C#CCOc1ccc([C@@H](C)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000161173947 859660913 /nfs/dbraw/zinc/66/09/13/859660913.db2.gz SDIJPLMSFBDNEZ-LJQANCHMSA-N 1 3 378.516 3.506 20 30 GHEDHO C=CCN1CCC(NC(=O)N(CCC)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000171739914 865351495 /nfs/dbraw/zinc/35/14/95/865351495.db2.gz DZDGCVDQAFHZPB-QHCPKHFHSA-N 1 3 398.595 3.723 20 30 GHEDHO C=CCN1CCC(NC(=O)N(CCC)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000171739914 865351508 /nfs/dbraw/zinc/35/15/08/865351508.db2.gz DZDGCVDQAFHZPB-QHCPKHFHSA-N 1 3 398.595 3.723 20 30 GHEDHO N=C(Nc1ccc([C@]23CC[NH2+][C@@H]2COCC3)cc1)c1ccc2cc(O)ccc2c1 ZINC001171185318 902209451 /nfs/dbraw/zinc/20/94/51/902209451.db2.gz UYKPBQTZRKEQBY-ISKFKSNPSA-N 1 3 387.483 3.602 20 30 GHEDHO CN1CCN(C2CC[NH+](Cc3ccc(Oc4ccc(C#N)cc4)cc3)CC2)CC1 ZINC001141294030 1024426438 /nfs/dbraw/zinc/42/64/38/1024426438.db2.gz SOTYXDIXBOFXPC-UHFFFAOYSA-N 1 3 390.531 3.562 20 30 GHEDHO [NH2+]=C(Nc1cccc2cc([C@H]3CNCCO3)cn21)c1ccc(C(F)(F)F)cc1 ZINC001163683827 1026281705 /nfs/dbraw/zinc/28/17/05/1026281705.db2.gz KNKOWYDZCWPVPQ-QGZVFWFLSA-N 1 3 388.393 3.656 20 30 GHEDHO C=CCCCCN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001209200577 1035206790 /nfs/dbraw/zinc/20/67/90/1035206790.db2.gz LLSPWHCVBCGBMU-ZEQRLZLVSA-N 1 3 383.580 3.988 20 30 GHEDHO C=CCCCCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001209200577 1035206794 /nfs/dbraw/zinc/20/67/94/1035206794.db2.gz LLSPWHCVBCGBMU-ZEQRLZLVSA-N 1 3 383.580 3.988 20 30 GHEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N(C1=CC(=O)CCC1)[C@H](C)c1ccccc1 ZINC001161509000 1035244916 /nfs/dbraw/zinc/24/49/16/1035244916.db2.gz KRXSWAYKDMNCLL-GCJKJVERSA-N 1 3 385.552 3.709 20 30 GHEDHO CCCCCCCC[C@@H](O)C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001252138946 1038889778 /nfs/dbraw/zinc/88/97/78/1038889778.db2.gz GHQPSZWEHRDXJC-JOCHJYFZSA-N 1 3 376.585 3.715 20 30 GHEDHO C[NH+]1CCC(NC(=N)c2cc3ccc(OC(=O)c4cccs4)cc3s2)CC1 ZINC001256197279 1041642358 /nfs/dbraw/zinc/64/23/58/1041642358.db2.gz DDXDVPVAOPPOQA-UHFFFAOYSA-N 1 3 399.541 3.982 20 30 GHEDHO CC(C)C[NH2+]Cc1ccc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)cc1 ZINC001236430199 1041709073 /nfs/dbraw/zinc/70/90/73/1041709073.db2.gz ZRYMFJNBEDTICX-GOSISDBHSA-N 1 3 380.492 3.838 20 30 GHEDHO C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(CN(CC3CC3)C[C@H]2COCc2ccccn2)C1 ZINC001258728999 1044735938 /nfs/dbraw/zinc/73/59/38/1044735938.db2.gz RVXTXJATEAHIOW-JCTONOIOSA-N 1 3 383.580 3.987 20 30 GHEDHO C=CCC[C@@H](C)[N@H+]1CC[C@@]2(CN(CC3CC3)C[C@H]2COCc2ccccn2)C1 ZINC001258728999 1044735953 /nfs/dbraw/zinc/73/59/53/1044735953.db2.gz RVXTXJATEAHIOW-JCTONOIOSA-N 1 3 383.580 3.987 20 30 GHEDHO C[NH+](C)Cc1ccc(-c2ccccc2CNCc2cnc3c(C#N)cnn3c2)cc1 ZINC000549761763 844231702 /nfs/dbraw/zinc/23/17/02/844231702.db2.gz QMLOSJPRFBQYML-UHFFFAOYSA-N 1 3 396.498 3.619 20 30 GHEDHO CN1CCN(Cc2ccc(C[NH2+][C@@H]3CCCCc4cc(C#N)ccc43)cc2)CC1 ZINC000481928325 862534215 /nfs/dbraw/zinc/53/42/15/862534215.db2.gz QZWZRLOOGIEBDE-RUZDIDTESA-N 1 3 388.559 3.863 20 30 GHEDHO C=CCN1CCC(NC(=O)N(CC)[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000473961365 854440427 /nfs/dbraw/zinc/44/04/27/854440427.db2.gz WNIPSMUJBSWJKU-DENIHFKCSA-N 1 3 384.568 3.504 20 30 GHEDHO C=CCN1CCC(NC(=O)N(CC)[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000473961365 854440430 /nfs/dbraw/zinc/44/04/30/854440430.db2.gz WNIPSMUJBSWJKU-DENIHFKCSA-N 1 3 384.568 3.504 20 30 GHEDHO CN(C)C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(Cl)cc1 ZINC000330425512 854669894 /nfs/dbraw/zinc/66/98/94/854669894.db2.gz GGGUMLIBKWDDSP-KRWDZBQOSA-N 1 3 380.964 3.756 20 30 GHEDHO Cc1c2ccccc2oc1CNC(=[NH2+])NC1CCN(Cc2ccccc2)CC1 ZINC000262521860 866223011 /nfs/dbraw/zinc/22/30/11/866223011.db2.gz NYQOWJMHTUTCIV-UHFFFAOYSA-N 1 3 376.504 3.810 20 30 GHEDHO CC[C@H]([NH2+]Cc1ccccc1CN1CCN(CC)CC1)c1ccc(C#N)cc1 ZINC000447543233 871813446 /nfs/dbraw/zinc/81/34/46/871813446.db2.gz LFPKUFPYHUQODR-DEOSSOPVSA-N 1 3 376.548 3.937 20 30 GHEDHO N#Cc1c[nH]c2cc(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)ccc12 ZINC001170527764 885563413 /nfs/dbraw/zinc/56/34/13/885563413.db2.gz AWVOSAQQOIMXIR-UHFFFAOYSA-N 1 3 383.499 3.949 20 30 GHEDHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000537294827 894719476 /nfs/dbraw/zinc/71/94/76/894719476.db2.gz HCOLJIIOMFALFI-NRFANRHFSA-N 1 3 376.548 3.807 20 30 GHEDHO C=CCn1c(CCN2CCCCC2)nnc1SCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000571657763 899941529 /nfs/dbraw/zinc/94/15/29/899941529.db2.gz BYOOQNPFVNNSJU-RTBURBONSA-N 1 3 391.629 3.563 20 30 GHEDHO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)N3C)CC2 ZINC001172114043 905363847 /nfs/dbraw/zinc/36/38/47/905363847.db2.gz OFXAZCKQRMOHSZ-PMOLBWCYSA-N 1 3 375.557 3.502 20 30 GHEDHO CCN1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(C#N)cc3F)cc2F)CC1 ZINC000781423565 930839243 /nfs/dbraw/zinc/83/92/43/930839243.db2.gz SADMPVPFWITQCT-MRXNPFEDSA-N 1 3 384.474 3.829 20 30 GHEDHO C=CCCCCC[C@H](N)C(=O)N(Cc1cccc(OC)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221186085 1032321666 /nfs/dbraw/zinc/32/16/66/1032321666.db2.gz MTBPBOQDUJUIEZ-ONTIZHBOSA-N 1 3 387.568 3.758 20 30 GHEDHO C[NH+](C)CCOc1ccc(CN2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC001138772900 1025343703 /nfs/dbraw/zinc/34/37/03/1025343703.db2.gz IRYOEAPGIXQILU-UHFFFAOYSA-N 1 3 379.504 3.542 20 30 GHEDHO N#Cc1cnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c(Cl)c1 ZINC001159459934 1034603845 /nfs/dbraw/zinc/60/38/45/1034603845.db2.gz HVIJZSCEOFQPHV-UHFFFAOYSA-N 1 3 379.895 3.516 20 30 GHEDHO C=CCCCCCC[C@H](O)CN1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001253237833 1039494954 /nfs/dbraw/zinc/49/49/54/1039494954.db2.gz NJWCVLYBQCNMCZ-XPWALMASSA-N 1 3 378.601 3.554 20 30 GHEDHO C=CCCCCCC[C@H](O)CN1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001253237833 1039494957 /nfs/dbraw/zinc/49/49/57/1039494957.db2.gz NJWCVLYBQCNMCZ-XPWALMASSA-N 1 3 378.601 3.554 20 30 GHEDHO C=CCOc1ccccc1[C@@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254051570 1039976669 /nfs/dbraw/zinc/97/66/69/1039976669.db2.gz RFKPRVUXUMJSRO-HXUWFJFHSA-N 1 3 380.532 3.929 20 30 GHEDHO C(#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1)CN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661876461 842273627 /nfs/dbraw/zinc/27/36/27/842273627.db2.gz UDWIFJJOGNOQJQ-WAPCQROESA-N 1 3 388.596 3.552 20 30 GHEDHO C(#CC[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1)CN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661876461 842273641 /nfs/dbraw/zinc/27/36/41/842273641.db2.gz UDWIFJJOGNOQJQ-WAPCQROESA-N 1 3 388.596 3.552 20 30 GHEDHO C(#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1)CN1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661876461 842273651 /nfs/dbraw/zinc/27/36/51/842273651.db2.gz UDWIFJJOGNOQJQ-WAPCQROESA-N 1 3 388.596 3.552 20 30 GHEDHO C(#CC[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1)CN1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661876461 842273661 /nfs/dbraw/zinc/27/36/61/842273661.db2.gz UDWIFJJOGNOQJQ-WAPCQROESA-N 1 3 388.596 3.552 20 30 GHEDHO C=CCC[C@@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000188283350 842873276 /nfs/dbraw/zinc/87/32/76/842873276.db2.gz CIDBEVBAVWLNFH-JOCHJYFZSA-N 1 3 383.580 3.803 20 30 GHEDHO CCN1CCN(Cc2ccc(C[NH2+]Cc3ccc(C4(C#N)CC4)cc3)cc2)CC1 ZINC000594927158 858306729 /nfs/dbraw/zinc/30/67/29/858306729.db2.gz YOIGNBKYGTYBNS-UHFFFAOYSA-N 1 3 388.559 3.669 20 30 GHEDHO CCN1CCN(Cc2ccc(C[NH2+][C@H]3CCCc4cc(C#N)ccc43)cc2)CC1 ZINC000611390667 859735193 /nfs/dbraw/zinc/73/51/93/859735193.db2.gz NMAFUFBHVASYFO-VWLOTQADSA-N 1 3 388.559 3.863 20 30 GHEDHO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856604130 881582019 /nfs/dbraw/zinc/58/20/19/881582019.db2.gz JRMVJBAXZSMTKS-HSZRJFAPSA-N 1 3 378.520 3.755 20 30 GHEDHO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856604130 881582028 /nfs/dbraw/zinc/58/20/28/881582028.db2.gz JRMVJBAXZSMTKS-HSZRJFAPSA-N 1 3 378.520 3.755 20 30 GHEDHO CN(CC1=CCSC1)Cc1cc(C#N)cc(C[N@H+](C)CC2=CCSC2)c1 ZINC000878998766 894772930 /nfs/dbraw/zinc/77/29/30/894772930.db2.gz UWZITGHHRNRMMD-UHFFFAOYSA-N 1 3 385.602 3.768 20 30 GHEDHO CN(CC1=CCSC1)Cc1cc(C#N)cc(C[N@@H+](C)CC2=CCSC2)c1 ZINC000878998766 894772943 /nfs/dbraw/zinc/77/29/43/894772943.db2.gz UWZITGHHRNRMMD-UHFFFAOYSA-N 1 3 385.602 3.768 20 30 GHEDHO C[C@H](NCCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000883343709 897510821 /nfs/dbraw/zinc/51/08/21/897510821.db2.gz WNEAVUMIEIULIC-SFHVURJKSA-N 1 3 381.495 3.765 20 30 GHEDHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1C ZINC000331377943 898440720 /nfs/dbraw/zinc/44/07/20/898440720.db2.gz FLTOCZFTJYECDC-JKSUJKDBSA-N 1 3 388.581 3.632 20 30 GHEDHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1C ZINC000331377943 898440727 /nfs/dbraw/zinc/44/07/27/898440727.db2.gz FLTOCZFTJYECDC-JKSUJKDBSA-N 1 3 388.581 3.632 20 30 GHEDHO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)[C@@H](C)C1 ZINC000571846757 899988963 /nfs/dbraw/zinc/98/89/63/899988963.db2.gz GTEXWFAXYMQWCG-HNAYVOBHSA-N 1 3 383.458 3.804 20 30 GHEDHO C[C@H](NCCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411512685 926469628 /nfs/dbraw/zinc/46/96/28/926469628.db2.gz BNQNGKXZHADUIA-DOTOQJQBSA-N 1 3 388.943 3.783 20 30 GHEDHO C[C@H](NCCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411512685 926469630 /nfs/dbraw/zinc/46/96/30/926469630.db2.gz BNQNGKXZHADUIA-DOTOQJQBSA-N 1 3 388.943 3.783 20 30 GHEDHO C#CCOc1ccc(CN2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001138559444 1025021433 /nfs/dbraw/zinc/02/14/33/1025021433.db2.gz VCODACFEQNAKIB-FTBPSBKWSA-N 1 3 389.543 3.826 20 30 GHEDHO C#CCOc1ccc(CN2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001138559444 1025021445 /nfs/dbraw/zinc/02/14/45/1025021445.db2.gz VCODACFEQNAKIB-FTBPSBKWSA-N 1 3 389.543 3.826 20 30 GHEDHO N=C(Nc1ccc([C@]23CC[NH2+][C@@H]2COCC3)cc1)c1ccc(C(F)(F)F)cc1 ZINC001163680109 1026280831 /nfs/dbraw/zinc/28/08/31/1026280831.db2.gz IQQXNXXRBJEEBI-UYAOXDASSA-N 1 3 389.421 3.762 20 30 GHEDHO C=CCCCCC[C@H](N)C(=O)N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001160421641 1034968454 /nfs/dbraw/zinc/96/84/54/1034968454.db2.gz COEXUPZQBKEFDP-XXTHSBEZSA-N 1 3 398.595 3.604 20 30 GHEDHO C=CCCCCC[C@H](N)C(=O)N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001160421641 1034968457 /nfs/dbraw/zinc/96/84/57/1034968457.db2.gz COEXUPZQBKEFDP-XXTHSBEZSA-N 1 3 398.595 3.604 20 30 GHEDHO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3CCN[C@@H](CCCC)C3)C2)CC1 ZINC001246526766 1037456924 /nfs/dbraw/zinc/45/69/24/1037456924.db2.gz QXGIMMPYRKNDEF-PMACEKPBSA-N 1 3 377.573 3.798 20 30 GHEDHO C=CCOC(=O)N1CCC2(CCC[N@H+]([C@H]3CCN[C@@H](CCCC)C3)C2)CC1 ZINC001246526766 1037456946 /nfs/dbraw/zinc/45/69/46/1037456946.db2.gz QXGIMMPYRKNDEF-PMACEKPBSA-N 1 3 377.573 3.798 20 30 GHEDHO C=CCOC(=O)N1CCC2(CCCN([C@H]3CC[NH2+][C@@H](CCCC)C3)C2)CC1 ZINC001246526766 1037456950 /nfs/dbraw/zinc/45/69/50/1037456950.db2.gz QXGIMMPYRKNDEF-PMACEKPBSA-N 1 3 377.573 3.798 20 30 GHEDHO COC(=O)c1cccc(CN([C@H](C)Cc2cccc(C#N)c2)C2CC[NH2+]CC2)c1 ZINC001246958973 1037773626 /nfs/dbraw/zinc/77/36/26/1037773626.db2.gz QDFOWYZMBQVOGC-GOSISDBHSA-N 1 3 391.515 3.530 20 30 GHEDHO C=CCN1CC[C@@]2(C[N@H+]([C@@H](C)CCN(CC)CC)C[C@@H]2c2ccccc2)C1=O ZINC001255958931 1041436394 /nfs/dbraw/zinc/43/63/94/1041436394.db2.gz HRPYOBSIKAFUEB-FJIJXJHWSA-N 1 3 383.580 3.611 20 30 GHEDHO C=CCN1CC[C@@]2(C[N@@H+]([C@@H](C)CCN(CC)CC)C[C@@H]2c2ccccc2)C1=O ZINC001255958931 1041436406 /nfs/dbraw/zinc/43/64/06/1041436406.db2.gz HRPYOBSIKAFUEB-FJIJXJHWSA-N 1 3 383.580 3.611 20 30 GHEDHO C=CCC1([NH2+]CC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)CCCCC1 ZINC001460632469 1069043393 /nfs/dbraw/zinc/04/33/93/1069043393.db2.gz XMCRTPLFLZRQGD-UHFFFAOYSA-N 1 3 384.568 3.636 20 30 GHEDHO N#Cc1ccc(CN2CCC(N(CC[NH3+])c3ccc4ccccc4n3)CC2)cc1 ZINC000414492863 838592335 /nfs/dbraw/zinc/59/23/35/838592335.db2.gz SCSREKHZWMCSTB-UHFFFAOYSA-N 1 3 385.515 3.536 20 30 GHEDHO C=CCOc1c(Br)cc(C[N@H+](C)C[C@H]2CCCN(C)C2)cc1OC ZINC000092253666 843728755 /nfs/dbraw/zinc/72/87/55/843728755.db2.gz DKHUJEUJDJTOCI-HNNXBMFYSA-N 1 3 397.357 3.796 20 30 GHEDHO C=CCOc1c(Br)cc(C[N@@H+](C)C[C@H]2CCCN(C)C2)cc1OC ZINC000092253666 843728766 /nfs/dbraw/zinc/72/87/66/843728766.db2.gz DKHUJEUJDJTOCI-HNNXBMFYSA-N 1 3 397.357 3.796 20 30 GHEDHO C#CCOc1ccc([C@H](C)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000161173830 859662962 /nfs/dbraw/zinc/66/29/62/859662962.db2.gz SDIJPLMSFBDNEZ-IBGZPJMESA-N 1 3 378.516 3.506 20 30 GHEDHO C=CC[NH+]1CCC(NC(=O)c2cccc(CN(C)Cc3ccccc3)c2)CC1 ZINC000171716858 865342694 /nfs/dbraw/zinc/34/26/94/865342694.db2.gz PHIOSFJRUACEOG-UHFFFAOYSA-N 1 3 377.532 3.699 20 30 GHEDHO C=CCN1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC(C)C)CC1 ZINC000528451328 874597271 /nfs/dbraw/zinc/59/72/71/874597271.db2.gz XECFWAHYNLIAFV-FYYLOGMGSA-N 1 3 383.580 3.547 20 30 GHEDHO C=CCN1CCC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CC(C)C)CC1 ZINC000528451328 874597280 /nfs/dbraw/zinc/59/72/80/874597280.db2.gz XECFWAHYNLIAFV-FYYLOGMGSA-N 1 3 383.580 3.547 20 30 GHEDHO COc1ccc(CNCc2cccc(OCC[NH+](C)C)c2)cc1OCCCC#N ZINC000064614125 883753610 /nfs/dbraw/zinc/75/36/10/883753610.db2.gz OTGJIMPWYJCQKS-UHFFFAOYSA-N 1 3 397.519 3.608 20 30 GHEDHO C=CCc1c(Cl)ncnc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170524900 885456519 /nfs/dbraw/zinc/45/65/19/885456519.db2.gz OMQCPFRXCFNXMV-UHFFFAOYSA-N 1 3 395.938 3.768 20 30 GHEDHO N#Cc1cnc(Cl)c(CNCCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000877086503 893477631 /nfs/dbraw/zinc/47/76/31/893477631.db2.gz ORTIILIUHHUIRF-UHFFFAOYSA-N 1 3 398.938 3.768 20 30 GHEDHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000537294831 894719692 /nfs/dbraw/zinc/71/96/92/894719692.db2.gz HCOLJIIOMFALFI-OAQYLSRUSA-N 1 3 376.548 3.807 20 30 GHEDHO C=CCc1ccccc1OC[C@H](O)CNC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000567689375 897340262 /nfs/dbraw/zinc/34/02/62/897340262.db2.gz JCPVCAPDUGGHDF-HYBUGGRVSA-N 1 3 394.559 3.970 20 30 GHEDHO N=C(Nc1ccc([C@@]23CC[NH2+][C@@H]2COCC3)cc1)c1ccc(C(F)(F)F)cc1 ZINC001163680105 1026281157 /nfs/dbraw/zinc/28/11/57/1026281157.db2.gz IQQXNXXRBJEEBI-QUCCMNQESA-N 1 3 389.421 3.762 20 30 GHEDHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1ccc(C#N)cc1)CC2 ZINC001203901401 1027694114 /nfs/dbraw/zinc/69/41/14/1027694114.db2.gz MTLRGNCGEOHBON-HSZRJFAPSA-N 1 3 375.516 3.814 20 30 GHEDHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1ccc(C#N)cc1)CC2 ZINC001203901401 1027694125 /nfs/dbraw/zinc/69/41/25/1027694125.db2.gz MTLRGNCGEOHBON-HSZRJFAPSA-N 1 3 375.516 3.814 20 30 GHEDHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1ccc(C#N)cc1)CC2 ZINC001203901404 1027694943 /nfs/dbraw/zinc/69/49/43/1027694943.db2.gz MTLRGNCGEOHBON-QHCPKHFHSA-N 1 3 375.516 3.814 20 30 GHEDHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1ccc(C#N)cc1)CC2 ZINC001203901404 1027694950 /nfs/dbraw/zinc/69/49/50/1027694950.db2.gz MTLRGNCGEOHBON-QHCPKHFHSA-N 1 3 375.516 3.814 20 30 GHEDHO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1ccc(F)c(C#N)c1)CC2 ZINC001205467223 1033425819 /nfs/dbraw/zinc/42/58/19/1033425819.db2.gz MIXNUYICBWKTML-UHFFFAOYSA-N 1 3 378.495 3.969 20 30 GHEDHO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1ccc(F)c(C#N)c1)CC2 ZINC001205467223 1033425832 /nfs/dbraw/zinc/42/58/32/1033425832.db2.gz MIXNUYICBWKTML-UHFFFAOYSA-N 1 3 378.495 3.969 20 30 GHEDHO Cc1cc(Cl)nc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1C#N ZINC001159460404 1034605767 /nfs/dbraw/zinc/60/57/67/1034605767.db2.gz UJKGPNBZPHOOBH-UHFFFAOYSA-N 1 3 393.922 3.825 20 30 GHEDHO C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160952076 1035103439 /nfs/dbraw/zinc/10/34/39/1035103439.db2.gz QAQIQJBZVHGWEP-XXBNENTESA-N 1 3 392.547 3.707 20 30 GHEDHO C=CCOC[C@H]1CCC[C@@]12C[N@H+](C[C@@H]1CCCN(Cc3ccccc3)C1)CCO2 ZINC001208937994 1035105515 /nfs/dbraw/zinc/10/55/15/1035105515.db2.gz YWHINDIHAOISOR-UBFVSLLYSA-N 1 3 398.591 3.972 20 30 GHEDHO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](C[C@@H]1CCCN(Cc3ccccc3)C1)CCO2 ZINC001208937994 1035105521 /nfs/dbraw/zinc/10/55/21/1035105521.db2.gz YWHINDIHAOISOR-UBFVSLLYSA-N 1 3 398.591 3.972 20 30 GHEDHO C=CCCCCC[C@H](N)C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001161575668 1035262282 /nfs/dbraw/zinc/26/22/82/1035262282.db2.gz MIIVPQSBWVFESI-ZRBLBEILSA-N 1 3 383.580 3.821 20 30 GHEDHO C=CCCCCC[C@H](N)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001161575668 1035262294 /nfs/dbraw/zinc/26/22/94/1035262294.db2.gz MIIVPQSBWVFESI-ZRBLBEILSA-N 1 3 383.580 3.821 20 30 GHEDHO COC(=O)c1cccc(CN([C@@H](C)Cc2cccc(C#N)c2)C2CC[NH2+]CC2)c1 ZINC001246958980 1037774292 /nfs/dbraw/zinc/77/42/92/1037774292.db2.gz QDFOWYZMBQVOGC-SFHVURJKSA-N 1 3 391.515 3.530 20 30 GHEDHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1ccc(C2(C#N)CC2)cc1 ZINC001474185717 1074286986 /nfs/dbraw/zinc/28/69/86/1074286986.db2.gz YMCNOLAHFQIYDY-ISKFKSNPSA-N 1 3 389.543 3.868 20 30 GHEDHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1ccc(C2(C#N)CC2)cc1 ZINC001474185717 1074286992 /nfs/dbraw/zinc/28/69/92/1074286992.db2.gz YMCNOLAHFQIYDY-ISKFKSNPSA-N 1 3 389.543 3.868 20 30 GHEDHO Cc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c(OCC[NH+](C)C)c1 ZINC000179905845 861840757 /nfs/dbraw/zinc/84/07/57/861840757.db2.gz BEODFNSTULRLLV-UHFFFAOYSA-N 1 3 392.547 3.884 20 30 GHEDHO C=CCN1CCC(NC(=O)NCC2(CC)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000514017245 851124109 /nfs/dbraw/zinc/12/41/09/851124109.db2.gz FRMSWTSNSVLSKV-UHFFFAOYSA-N 1 3 398.595 3.628 20 30 GHEDHO CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000173642319 857048885 /nfs/dbraw/zinc/04/88/85/857048885.db2.gz BWMATNDWDCINOW-INIZCTEOSA-N 1 3 388.581 3.633 20 30 GHEDHO CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000173642319 857048892 /nfs/dbraw/zinc/04/88/92/857048892.db2.gz BWMATNDWDCINOW-INIZCTEOSA-N 1 3 388.581 3.633 20 30 GHEDHO Cc1cccc(N2CCN(CCCC[NH2+]Cc3ccc(C#N)cc3F)CC2)c1 ZINC000532589219 859496315 /nfs/dbraw/zinc/49/63/15/859496315.db2.gz QUTKIJMFXNGHAD-UHFFFAOYSA-N 1 3 380.511 3.698 20 30 GHEDHO C=CCN1CCC(NC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000171721447 865343514 /nfs/dbraw/zinc/34/35/14/865343514.db2.gz WIGSUYXBPYGUFN-UHFFFAOYSA-N 1 3 398.595 3.901 20 30 GHEDHO C=CCN1CCC(NC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC000171721447 865343528 /nfs/dbraw/zinc/34/35/28/865343528.db2.gz WIGSUYXBPYGUFN-UHFFFAOYSA-N 1 3 398.595 3.901 20 30 GHEDHO C=CCn1c(CCN2CCCCC2)nnc1SCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000571657758 899941360 /nfs/dbraw/zinc/94/13/60/899941360.db2.gz BYOOQNPFVNNSJU-KDURUIRLSA-N 1 3 391.629 3.563 20 30 GHEDHO C=CCn1c(CCN2CCCCC2)nnc1SCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000571657758 899941375 /nfs/dbraw/zinc/94/13/75/899941375.db2.gz BYOOQNPFVNNSJU-KDURUIRLSA-N 1 3 391.629 3.563 20 30 GHEDHO C#C[C@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)c1ccc(Br)cc1 ZINC001182034057 911137869 /nfs/dbraw/zinc/13/78/69/911137869.db2.gz SHRCAORABXWYLJ-GPJFCIFZSA-N 1 3 391.353 3.747 20 30 GHEDHO C=CCN1CCC(NC(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000468025874 1015162184 /nfs/dbraw/zinc/16/21/84/1015162184.db2.gz KWBPSPVGBLUWSY-KNQAVFIVSA-N 1 3 386.584 3.702 20 30 GHEDHO C[C@@H](Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C)c1ccccc1C#N ZINC001227164099 1032302042 /nfs/dbraw/zinc/30/20/42/1032302042.db2.gz JAHUAHBWMQYPRI-GOSISDBHSA-N 1 3 394.563 3.883 20 30 GHEDHO C=CCn1cc(CN2CCC3(CC[N@@H+](Cc4cccc(OC)c4)C3)CC2)cn1 ZINC001139771817 1026605398 /nfs/dbraw/zinc/60/53/98/1026605398.db2.gz QACHAIQIZMXBHD-UHFFFAOYSA-N 1 3 380.536 3.566 20 30 GHEDHO C=CCn1cc(CN2CCC3(CC[N@H+](Cc4cccc(OC)c4)C3)CC2)cn1 ZINC001139771817 1026605404 /nfs/dbraw/zinc/60/54/04/1026605404.db2.gz QACHAIQIZMXBHD-UHFFFAOYSA-N 1 3 380.536 3.566 20 30 GHEDHO CN(Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](CCc1ccc(C#N)cc1)CC2 ZINC001208922428 1035090297 /nfs/dbraw/zinc/09/02/97/1035090297.db2.gz GROHERMZXINHLO-DEOSSOPVSA-N 1 3 389.543 3.856 20 30 GHEDHO C=CCOC(=O)N1CCCC2(CCN([C@@H]3CC[NH2+][C@@H](CCCC)C3)CC2)C1 ZINC001246527781 1037461649 /nfs/dbraw/zinc/46/16/49/1037461649.db2.gz WMVBCRLOKRBPCK-VQTJNVASSA-N 1 3 377.573 3.798 20 30 GHEDHO N#Cc1cccc(O[C@@H]2CCC[N@@H+]([C@@H]3CCN[C@@H](Cc4ccccc4)C3)C2)c1 ZINC001246847906 1037674505 /nfs/dbraw/zinc/67/45/05/1037674505.db2.gz YVYYEMOTHMFNRV-WMTXJRDZSA-N 1 3 375.516 3.765 20 30 GHEDHO N#Cc1cccc(O[C@@H]2CCC[N@H+]([C@@H]3CCN[C@@H](Cc4ccccc4)C3)C2)c1 ZINC001246847906 1037674527 /nfs/dbraw/zinc/67/45/27/1037674527.db2.gz YVYYEMOTHMFNRV-WMTXJRDZSA-N 1 3 375.516 3.765 20 30 GHEDHO C=CC[NH2+]CCN1CCCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001235865444 1041399404 /nfs/dbraw/zinc/39/94/04/1041399404.db2.gz DRISOOXFJVKNQR-UHFFFAOYSA-N 1 3 393.575 3.576 20 30 GHEDHO N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000375750976 834600402 /nfs/dbraw/zinc/60/04/02/834600402.db2.gz POEARWYFILIPHR-JOCHJYFZSA-N 1 3 394.544 3.546 20 30 GHEDHO N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000375750976 834600408 /nfs/dbraw/zinc/60/04/08/834600408.db2.gz POEARWYFILIPHR-JOCHJYFZSA-N 1 3 394.544 3.546 20 30 GHEDHO N#Cc1ccc(NC(=O)CC[NH+]2CCC(NCc3ccccc3)CC2)cc1Cl ZINC000595511934 858548930 /nfs/dbraw/zinc/54/89/30/858548930.db2.gz VXLSXPALIZGWIJ-UHFFFAOYSA-N 1 3 396.922 3.794 20 30 GHEDHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390571 859733975 /nfs/dbraw/zinc/73/39/75/859733975.db2.gz ITAWDANADOUCNG-RUZDIDTESA-N 1 3 388.559 3.863 20 30 GHEDHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000540597034 871662481 /nfs/dbraw/zinc/66/24/81/871662481.db2.gz JLYYOOSKWFKFFM-OAQYLSRUSA-N 1 3 376.548 3.807 20 30 GHEDHO C[C@@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(OCC#N)cc1 ZINC000729685849 888914297 /nfs/dbraw/zinc/91/42/97/888914297.db2.gz KQGNAQHEVZQNNS-LJQANCHMSA-N 1 3 379.504 3.914 20 30 GHEDHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000818961693 896267439 /nfs/dbraw/zinc/26/74/39/896267439.db2.gz VHJHKIWKTHIEFE-YDIMBITNSA-N 1 3 377.532 3.859 20 30 GHEDHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000818961693 896267454 /nfs/dbraw/zinc/26/74/54/896267454.db2.gz VHJHKIWKTHIEFE-YDIMBITNSA-N 1 3 377.532 3.859 20 30 GHEDHO CCCNc1ccc(C#N)cc1NC(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000567177850 896940430 /nfs/dbraw/zinc/94/04/30/896940430.db2.gz PSDFGGGZJDHUEM-UHFFFAOYSA-N 1 3 397.567 3.515 20 30 GHEDHO C=CCN1CCC(NC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC1 ZINC000650417435 916973219 /nfs/dbraw/zinc/97/32/19/916973219.db2.gz DZMPSNRVQMXQOZ-UHFFFAOYSA-N 1 3 388.581 3.646 20 30 GHEDHO CC(C)[NH+]1CCC(N[C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000925304097 931737609 /nfs/dbraw/zinc/73/76/09/931737609.db2.gz RCOJVEDXJASLDM-GOSISDBHSA-N 1 3 392.588 3.768 20 30 GHEDHO CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1O[C@H](CC#N)c1ccccc1 ZINC001227161835 1032300477 /nfs/dbraw/zinc/30/04/77/1032300477.db2.gz XNGWCDFHOBSLKG-HSZRJFAPSA-N 1 3 394.563 3.905 20 30 GHEDHO C[C@]12CN(CCCC3(C#N)CCOCC3)C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000931225483 1017943566 /nfs/dbraw/zinc/94/35/66/1017943566.db2.gz ULOVMPKXZHRCSE-DHIUTWEWSA-N 1 3 381.564 3.931 20 30 GHEDHO C#Cc1cccc(C[NH+]2CCC3(C[C@@H](N(C)Cc4cccs4)CO3)CC2)c1 ZINC001231654806 1034810848 /nfs/dbraw/zinc/81/08/48/1034810848.db2.gz FEKJFPSAHZXYQY-OAQYLSRUSA-N 1 3 380.557 3.985 20 30 GHEDHO O=C(CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1Cc2ccccc2C#Cc2ccccc21 ZINC001246333760 1037300328 /nfs/dbraw/zinc/30/03/28/1037300328.db2.gz NSCLEULYJHSBIU-BKFWDETESA-N 1 3 399.538 3.586 20 30 GHEDHO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3CCN[C@@H](C(C)(C)C)C3)C2)CC1 ZINC001246523299 1037455240 /nfs/dbraw/zinc/45/52/40/1037455240.db2.gz AIMSSGXBOJWSCB-RBUKOAKNSA-N 1 3 377.573 3.654 20 30 GHEDHO C=CCOC(=O)N1CCC2(CCC[N@H+]([C@H]3CCN[C@@H](C(C)(C)C)C3)C2)CC1 ZINC001246523299 1037455250 /nfs/dbraw/zinc/45/52/50/1037455250.db2.gz AIMSSGXBOJWSCB-RBUKOAKNSA-N 1 3 377.573 3.654 20 30 GHEDHO C=CCN1CC[C@@]2(C[N@H+]([C@@H]3CCN[C@H](CCCC)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246704502 1037558220 /nfs/dbraw/zinc/55/82/20/1037558220.db2.gz WAASHXGGNDRSNS-WBJOIXBTSA-N 1 3 395.591 3.801 20 30 GHEDHO C=CCN1CC[C@@]2(C[N@@H+]([C@@H]3CCN[C@H](CCCC)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246704502 1037558223 /nfs/dbraw/zinc/55/82/23/1037558223.db2.gz WAASHXGGNDRSNS-WBJOIXBTSA-N 1 3 395.591 3.801 20 30 GHEDHO C=CCCCCC[C@H](N)c1nc(-c2cccc(CN3CC[NH+](C)CC3)c2)no1 ZINC001247640392 1038286831 /nfs/dbraw/zinc/28/68/31/1038286831.db2.gz REESPSHVJRWSJN-FQEVSTJZSA-N 1 3 383.540 3.620 20 30 GHEDHO CCCCCCCCOc1ccc(-c2noc([C@H]3CNCC34C[NH2+]C4)n2)cc1 ZINC001247830988 1038412651 /nfs/dbraw/zinc/41/26/51/1038412651.db2.gz QDESMAVDRCLTFV-LJQANCHMSA-N 1 3 384.524 3.752 20 30 GHEDHO C=CCCCCCC[C@@H](O)CN1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001253237832 1039493482 /nfs/dbraw/zinc/49/34/82/1039493482.db2.gz NJWCVLYBQCNMCZ-DNVJHFABSA-N 1 3 378.601 3.554 20 30 GHEDHO C=CCCCCCC[C@@H](O)CN1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001253237832 1039493494 /nfs/dbraw/zinc/49/34/94/1039493494.db2.gz NJWCVLYBQCNMCZ-DNVJHFABSA-N 1 3 378.601 3.554 20 30 GHEDHO N#Cc1cccc(C2CC[NH+](CC3(O)CCN(Cc4ccccc4)CC3)CC2)c1 ZINC001254038594 1039969128 /nfs/dbraw/zinc/96/91/28/1039969128.db2.gz JLIJQBCVTLTKND-UHFFFAOYSA-N 1 3 389.543 3.765 20 30 GHEDHO C(#Cc1ccccc1)c1ccc(CN2CCC(OC3CC[NH2+]CC3)CC2)s1 ZINC001235290442 1040760789 /nfs/dbraw/zinc/76/07/89/1040760789.db2.gz GCBWWYCUMLAZDK-UHFFFAOYSA-N 1 3 380.557 3.881 20 30 GHEDHO C=CCOc1ccc(CNCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1Cl ZINC000657593908 848285416 /nfs/dbraw/zinc/28/54/16/848285416.db2.gz CIYATYVCABOCKA-FQEVSTJZSA-N 1 3 386.923 3.761 20 30 GHEDHO C=CCOc1ccc(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1Cl ZINC000657593908 848285423 /nfs/dbraw/zinc/28/54/23/848285423.db2.gz CIYATYVCABOCKA-FQEVSTJZSA-N 1 3 386.923 3.761 20 30 GHEDHO N#C[C@@H]1CC[C@@H]([NH2+]CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000442705453 858064435 /nfs/dbraw/zinc/06/44/35/858064435.db2.gz BIDXVZDYTYWKEU-IEBWSBKVSA-N 1 3 394.485 3.889 20 30 GHEDHO CC(C)(C#N)c1ccc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000594497441 858192484 /nfs/dbraw/zinc/19/24/84/858192484.db2.gz AVJHVUTXCGVUII-UHFFFAOYSA-N 1 3 377.532 3.734 20 30 GHEDHO C=CCN1CCC(NC(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)CC1 ZINC000537672039 883092397 /nfs/dbraw/zinc/09/23/97/883092397.db2.gz SFUQWSSLHYVSGD-UHFFFAOYSA-N 1 3 384.568 3.733 20 30 GHEDHO C=C(C[NH+]1CCCC1)C(=O)Nc1cccc2c1CN(C)C[C@H]2c1ccccc1 ZINC001183076220 912235547 /nfs/dbraw/zinc/23/55/47/912235547.db2.gz SUXUXJGMMDNLOM-NRFANRHFSA-N 1 3 375.516 3.854 20 30 GHEDHO COc1cc(CN2CCC(C[NH+](C)C)CC2)ccc1OCc1cccc(C#N)c1 ZINC000532920631 889332152 /nfs/dbraw/zinc/33/21/52/889332152.db2.gz CBJDZMRZKSZAMR-UHFFFAOYSA-N 1 3 393.531 3.919 20 30 GHEDHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(C4CC4)c(C#N)c3)CC2)CC1 ZINC000882310826 896752498 /nfs/dbraw/zinc/75/24/98/896752498.db2.gz VCYCTIYEVBCEQN-UHFFFAOYSA-N 1 3 380.536 3.570 20 30 GHEDHO CCN(Cc1ccc(C[NH+](C)C)cc1)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000131131447 897334596 /nfs/dbraw/zinc/33/45/96/897334596.db2.gz DIBFLXVRRVKANU-UHFFFAOYSA-N 1 3 388.519 3.666 20 30 GHEDHO CCc1ccc(NC(=[NH2+])NCCCCN2CCN(c3ccccc3)CC2)cc1 ZINC000303899419 915304448 /nfs/dbraw/zinc/30/44/48/915304448.db2.gz RQOQCRIBPXSTEG-UHFFFAOYSA-N 1 3 379.552 3.578 20 30 GHEDHO CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1O[C@@H](C#N)c1ccccc1F ZINC001227163255 1032302294 /nfs/dbraw/zinc/30/22/94/1032302294.db2.gz CJNJLRDLKCFTOV-QFIPXVFZSA-N 1 3 398.526 3.654 20 30 GHEDHO C=C[C@@H](C#CC(C)(C)C)Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227165190 1032303250 /nfs/dbraw/zinc/30/32/50/1032303250.db2.gz QBCDBOJJEXICKD-QFIPXVFZSA-N 1 3 385.596 3.854 20 30 GHEDHO C[NH+](C)CCCOc1ccc(CN2CCC[C@H](Oc3ccccc3C#N)C2)cc1 ZINC001204270333 1032712685 /nfs/dbraw/zinc/71/26/85/1032712685.db2.gz SRCNNBBSXOGNOS-QHCPKHFHSA-N 1 3 393.531 3.932 20 30 GHEDHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000840873936 1027911099 /nfs/dbraw/zinc/91/10/99/1027911099.db2.gz DYECQNTYJDGBFG-BPUDTRNYSA-N 1 3 393.531 3.777 20 30 GHEDHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000840873936 1027911101 /nfs/dbraw/zinc/91/11/01/1027911101.db2.gz DYECQNTYJDGBFG-BPUDTRNYSA-N 1 3 393.531 3.777 20 30 GHEDHO O=C(CCN[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1Cc2ccccc2C#Cc2ccccc21 ZINC001246333762 1037299340 /nfs/dbraw/zinc/29/93/40/1037299340.db2.gz NSCLEULYJHSBIU-UBRQYEGLSA-N 1 3 399.538 3.586 20 30 GHEDHO N#CC1(c2ccccc2)CC[NH+](CC2(O)CCN(Cc3ccccc3)CC2)CC1 ZINC001254030401 1039964469 /nfs/dbraw/zinc/96/44/69/1039964469.db2.gz UJIIENJGBGSFDX-UHFFFAOYSA-N 1 3 389.543 3.571 20 30 GHEDHO C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391901 835669094 /nfs/dbraw/zinc/66/90/94/835669094.db2.gz QYNNAEPFKFVZSQ-SFHVURJKSA-N 1 3 391.519 3.519 20 30 GHEDHO C=CCN(CC=C)C(=O)[C@@H](C)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535681528 844300581 /nfs/dbraw/zinc/30/05/81/844300581.db2.gz PSHUDRBFGNRXLP-OAQYLSRUSA-N 1 3 381.564 3.564 20 30 GHEDHO C=CCN(CC=C)C(=O)[C@@H](C)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535681528 844300592 /nfs/dbraw/zinc/30/05/92/844300592.db2.gz PSHUDRBFGNRXLP-OAQYLSRUSA-N 1 3 381.564 3.564 20 30 GHEDHO C=CCN1CCC(NC(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](CC)CC)CC1 ZINC000431977484 840309174 /nfs/dbraw/zinc/30/91/74/840309174.db2.gz NAMQHTPTSDKXJJ-QFIPXVFZSA-N 1 3 386.584 3.582 20 30 GHEDHO CC[N@H+](C)Cc1cccc(CNCc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000433310334 844007146 /nfs/dbraw/zinc/00/71/46/844007146.db2.gz BOSQLUAPFDJMCR-UHFFFAOYSA-N 1 3 388.519 3.600 20 30 GHEDHO CC[N@@H+](C)Cc1cccc(CNCc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000433310334 844007150 /nfs/dbraw/zinc/00/71/50/844007150.db2.gz BOSQLUAPFDJMCR-UHFFFAOYSA-N 1 3 388.519 3.600 20 30 GHEDHO N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000611393310 859734940 /nfs/dbraw/zinc/73/49/40/859734940.db2.gz BRUBPSXSUJHEKI-XMMPIXPASA-N 1 3 375.516 3.682 20 30 GHEDHO [NH2+]=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000262859588 882263312 /nfs/dbraw/zinc/26/33/12/882263312.db2.gz YVHZSCPLJMWMKB-XYWHTSSQSA-N 1 3 380.511 3.641 20 30 GHEDHO Cc1nc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c(C#N)c(C)c1C ZINC001170524635 885475289 /nfs/dbraw/zinc/47/52/89/885475289.db2.gz FBKJUWNXFNCDDU-UHFFFAOYSA-N 1 3 387.531 3.788 20 30 GHEDHO C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000133174776 903352545 /nfs/dbraw/zinc/35/25/45/903352545.db2.gz YYDMPPFRJIZZGN-ZWKOTPCHSA-N 1 3 378.944 3.969 20 30 GHEDHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000840962455 1027995500 /nfs/dbraw/zinc/99/55/00/1027995500.db2.gz COXDQZBJCKXWST-ZFJSRUIDSA-N 1 3 393.531 3.604 20 30 GHEDHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000840962455 1027995505 /nfs/dbraw/zinc/99/55/05/1027995505.db2.gz COXDQZBJCKXWST-ZFJSRUIDSA-N 1 3 393.531 3.604 20 30 GHEDHO N#Cc1ccnc(-c2ccc(C[N@@H+]3C[C@H](c4ccccc4)C4(CNC4)C3)cc2)c1 ZINC001222602577 1030228344 /nfs/dbraw/zinc/22/83/44/1030228344.db2.gz UGUPVPCSLDHTOR-HSZRJFAPSA-N 1 3 380.495 3.809 20 30 GHEDHO N#Cc1ccnc(-c2ccc(C[N@H+]3C[C@H](c4ccccc4)C4(CNC4)C3)cc2)c1 ZINC001222602577 1030228361 /nfs/dbraw/zinc/22/83/61/1030228361.db2.gz UGUPVPCSLDHTOR-HSZRJFAPSA-N 1 3 380.495 3.809 20 30 GHEDHO COc1cccc(C[NH+]2CCC3(CCN(Cc4cc(C#N)n(C)c4)CC3)CC2)c1 ZINC001207103891 1034095413 /nfs/dbraw/zinc/09/54/13/1034095413.db2.gz AYFKSVSWDAHDAC-UHFFFAOYSA-N 1 3 392.547 3.784 20 30 GHEDHO C=CCN1CC[C@@]2(C[N@H+]([C@H]3CCN[C@@H](C(C)(C)C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246705951 1037557767 /nfs/dbraw/zinc/55/77/67/1037557767.db2.gz ZKNCRDRTAWUGDV-OUMCCJGNSA-N 1 3 395.591 3.657 20 30 GHEDHO C=CCN1CC[C@@]2(C[N@@H+]([C@H]3CCN[C@@H](C(C)(C)C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246705951 1037557780 /nfs/dbraw/zinc/55/77/80/1037557780.db2.gz ZKNCRDRTAWUGDV-OUMCCJGNSA-N 1 3 395.591 3.657 20 30 GHEDHO C=CCN1CC[C@@]2(C[N@H+]([C@@H]3CCN[C@H](C(C)(C)C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246705949 1037559264 /nfs/dbraw/zinc/55/92/64/1037559264.db2.gz ZKNCRDRTAWUGDV-APDHKMKFSA-N 1 3 395.591 3.657 20 30 GHEDHO C=CCN1CC[C@@]2(C[N@@H+]([C@@H]3CCN[C@H](C(C)(C)C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246705949 1037559267 /nfs/dbraw/zinc/55/92/67/1037559267.db2.gz ZKNCRDRTAWUGDV-APDHKMKFSA-N 1 3 395.591 3.657 20 30 GHEDHO N#Cc1ccc(CN2CCC(N[C@@H](C[NH3+])c3ccc4ccccc4c3)CC2)cc1 ZINC000423388353 849896590 /nfs/dbraw/zinc/89/65/90/849896590.db2.gz IOTBIEHGWXIHBI-VWLOTQADSA-N 1 3 384.527 3.965 20 30 GHEDHO C=CCN1CCC(NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)CC1 ZINC000171710826 856238590 /nfs/dbraw/zinc/23/85/90/856238590.db2.gz ZKCOPRWJVSIDMO-PMACEKPBSA-N 1 3 398.595 3.614 20 30 GHEDHO C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534228896 866295560 /nfs/dbraw/zinc/29/55/60/866295560.db2.gz HQJCDWBFYSQASA-OAQYLSRUSA-N 1 3 383.580 3.788 20 30 GHEDHO C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534228896 866295577 /nfs/dbraw/zinc/29/55/77/866295577.db2.gz HQJCDWBFYSQASA-OAQYLSRUSA-N 1 3 383.580 3.788 20 30 GHEDHO C[NH+](C)CCCOc1ccc(CN2CCC[C@@H](Oc3ccc(C#N)cc3)C2)cc1 ZINC001204271169 1032715304 /nfs/dbraw/zinc/71/53/04/1032715304.db2.gz HHMNBPBISXJENM-XMMPIXPASA-N 1 3 393.531 3.932 20 30 GHEDHO C[C@]12CN(CCCC3(C#N)CCOCC3)C[C@@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC000931225485 1017944841 /nfs/dbraw/zinc/94/48/41/1017944841.db2.gz ULOVMPKXZHRCSE-ZRZAMGCNSA-N 1 3 381.564 3.931 20 30 GHEDHO C[C@]12CN(CCCC3(C#N)CCOCC3)C[C@@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC000931225485 1017944843 /nfs/dbraw/zinc/94/48/43/1017944843.db2.gz ULOVMPKXZHRCSE-ZRZAMGCNSA-N 1 3 381.564 3.931 20 30 GHEDHO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001158739076 1034253775 /nfs/dbraw/zinc/25/37/75/1034253775.db2.gz USYHNDWYGVVDDZ-IRXDYDNUSA-N 1 3 393.491 3.666 20 30 GHEDHO C=CCN1CC[C@@]2(C[N@H+]([C@H]3CCN[C@@H](CCCC)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246704500 1037559329 /nfs/dbraw/zinc/55/93/29/1037559329.db2.gz WAASHXGGNDRSNS-UCKMRUJXSA-N 1 3 395.591 3.801 20 30 GHEDHO C=CCN1CC[C@@]2(C[N@@H+]([C@H]3CCN[C@@H](CCCC)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246704500 1037559337 /nfs/dbraw/zinc/55/93/37/1037559337.db2.gz WAASHXGGNDRSNS-UCKMRUJXSA-N 1 3 395.591 3.801 20 30 GHEDHO CCCCCCCC[C@H](O)CN1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001252126876 1038876480 /nfs/dbraw/zinc/87/64/80/1038876480.db2.gz UMDGOOMCAZRUMX-XPWALMASSA-N 1 3 380.617 3.778 20 30 GHEDHO CCCCCCCC[C@H](O)CN1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001252126876 1038876502 /nfs/dbraw/zinc/87/65/02/1038876502.db2.gz UMDGOOMCAZRUMX-XPWALMASSA-N 1 3 380.617 3.778 20 30 GHEDHO C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255150438 1040865572 /nfs/dbraw/zinc/86/55/72/1040865572.db2.gz UXRFCGLJAWXHCE-CZYKHXBRSA-N 1 3 383.536 3.559 20 30 GHEDHO C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255150438 1040865593 /nfs/dbraw/zinc/86/55/93/1040865593.db2.gz UXRFCGLJAWXHCE-CZYKHXBRSA-N 1 3 383.536 3.559 20 30 GHEDHO CC(C)C[NH2+]Cc1ccc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)cc1 ZINC001236430200 1041708967 /nfs/dbraw/zinc/70/89/67/1041708967.db2.gz ZRYMFJNBEDTICX-SFHVURJKSA-N 1 3 380.492 3.838 20 30 GHEDHO C[C@H](CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000180274088 836949203 /nfs/dbraw/zinc/94/92/03/836949203.db2.gz VKBYLCDYWUPUPK-LJQANCHMSA-N 1 3 387.531 3.959 20 30 GHEDHO C=CCN1CCC(NC(=O)NCC(CC)(CC)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000502791374 846468815 /nfs/dbraw/zinc/46/88/15/846468815.db2.gz BBHZJQCCEPEKIK-IBGZPJMESA-N 1 3 386.584 3.846 20 30 GHEDHO C=CCN(CC1CCCCC1)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000516783164 852994565 /nfs/dbraw/zinc/99/45/65/852994565.db2.gz ASTGVDFLEJQVFI-UHFFFAOYSA-N 1 3 375.601 3.778 20 30 GHEDHO CC[NH+]1CCC(N2CCC(C(=O)N(CC(C)C)c3ccc(C#N)cc3)CC2)CC1 ZINC000574650197 858106312 /nfs/dbraw/zinc/10/63/12/858106312.db2.gz RCQZUKCSAJMRKA-UHFFFAOYSA-N 1 3 396.579 3.744 20 30 GHEDHO C=C(C[NH+]1CCCC1)C(=O)Nc1cccc2c1CN(C)C[C@@H]2c1ccccc1 ZINC001183076241 912235327 /nfs/dbraw/zinc/23/53/27/912235327.db2.gz SUXUXJGMMDNLOM-OAQYLSRUSA-N 1 3 375.516 3.854 20 30 GHEDHO C=CCc1ccccc1OC[C@@H](O)CNC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000567689377 897339599 /nfs/dbraw/zinc/33/95/99/897339599.db2.gz JCPVCAPDUGGHDF-YKSBVNFPSA-N 1 3 394.559 3.970 20 30 GHEDHO C#CCOc1ccc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000824925668 899892699 /nfs/dbraw/zinc/89/26/99/899892699.db2.gz CMMUXMOSCSNDHF-UHFFFAOYSA-N 1 3 377.532 3.519 20 30 GHEDHO C#CCOc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000248447750 912107963 /nfs/dbraw/zinc/10/79/63/912107963.db2.gz NPGFXJAYIHHSSJ-CVDCTZTESA-N 1 3 378.516 3.506 20 30 GHEDHO C#CCOc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000248447750 912107971 /nfs/dbraw/zinc/10/79/71/912107971.db2.gz NPGFXJAYIHHSSJ-CVDCTZTESA-N 1 3 378.516 3.506 20 30 GHEDHO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000799178807 932899614 /nfs/dbraw/zinc/89/96/14/932899614.db2.gz LGDJVBIQKXLIRE-OAQYLSRUSA-N 1 3 396.579 3.746 20 30 GHEDHO CC(C)N1CCN(c2ccc(NC(=[NH2+])c3ccc(C(F)(F)F)cc3)cn2)CC1 ZINC001163680604 1026281121 /nfs/dbraw/zinc/28/11/21/1026281121.db2.gz SAFXQBZBEHBTMD-UHFFFAOYSA-N 1 3 391.441 3.668 20 30 GHEDHO C=CCN(C)CCN(CC)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001139869268 1026683151 /nfs/dbraw/zinc/68/31/51/1026683151.db2.gz CVVHLBMKKLMNRC-BJKOFHAPSA-N 1 3 397.607 3.891 20 30 GHEDHO C=CCN(C)CCN(CC)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001139869268 1026683156 /nfs/dbraw/zinc/68/31/56/1026683156.db2.gz CVVHLBMKKLMNRC-BJKOFHAPSA-N 1 3 397.607 3.891 20 30 GHEDHO CN(Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](CCc1ccc(C#N)cc1)CC2 ZINC001208922429 1035089787 /nfs/dbraw/zinc/08/97/87/1035089787.db2.gz GROHERMZXINHLO-XMMPIXPASA-N 1 3 389.543 3.856 20 30 GHEDHO CCCCCCCCCCCCOCCOC[C@@H](O)CNC[C@@H]1CC[NH2+]C1 ZINC001245979337 1037103379 /nfs/dbraw/zinc/10/33/79/1037103379.db2.gz ULRUYZNEGGVPIR-YADHBBJMSA-N 1 3 386.621 3.501 20 30 GHEDHO O=C(CCN[C@@H]1CC[NH2+]C2(CCC2)C1)N1Cc2ccccc2C#Cc2ccccc21 ZINC001246332258 1037299139 /nfs/dbraw/zinc/29/91/39/1037299139.db2.gz GTJDPEZNWWJGJA-HSZRJFAPSA-N 1 3 399.538 3.587 20 30 GHEDHO N#Cc1cccc(O[C@@H]2CCC[N@@H+]([C@H]3CCN[C@H](Cc4ccccc4)C3)C2)c1 ZINC001246847901 1037671150 /nfs/dbraw/zinc/67/11/50/1037671150.db2.gz YVYYEMOTHMFNRV-AOHZBQACSA-N 1 3 375.516 3.765 20 30 GHEDHO N#Cc1cccc(O[C@@H]2CCC[N@H+]([C@H]3CCN[C@H](Cc4ccccc4)C3)C2)c1 ZINC001246847901 1037671155 /nfs/dbraw/zinc/67/11/55/1037671155.db2.gz YVYYEMOTHMFNRV-AOHZBQACSA-N 1 3 375.516 3.765 20 30 GHEDHO Cc1ccc(CN2CCC3(C[C@@H]([N@H+](C)Cc4ccccn4)CO3)CC2)c(C#N)c1 ZINC001232965111 1038739334 /nfs/dbraw/zinc/73/93/34/1038739334.db2.gz MEFRQXCDKORPSC-HSZRJFAPSA-N 1 3 390.531 3.517 20 30 GHEDHO Cc1ccc(CN2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c(C#N)c1 ZINC001232965111 1038739340 /nfs/dbraw/zinc/73/93/40/1038739340.db2.gz MEFRQXCDKORPSC-HSZRJFAPSA-N 1 3 390.531 3.517 20 30 GHEDHO Cc1ccc(C[NH+]2CCC3(C[C@@H](N(C)Cc4ccccn4)CO3)CC2)c(C#N)c1 ZINC001232965111 1038739347 /nfs/dbraw/zinc/73/93/47/1038739347.db2.gz MEFRQXCDKORPSC-HSZRJFAPSA-N 1 3 390.531 3.517 20 30 GHEDHO C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc3c(c1)C(C(C)C)=NCC3)CC2 ZINC001237880938 1042407504 /nfs/dbraw/zinc/40/75/04/1042407504.db2.gz KIEKOQZGRQDAIQ-UHFFFAOYSA-N 1 3 395.547 3.908 20 30 GHEDHO C=CCC[C@H](C)[N@@H+]1CC[C@@]2(CN(CC3CC3)C[C@@H]2COCc2ccccn2)C1 ZINC001258728948 1044735544 /nfs/dbraw/zinc/73/55/44/1044735544.db2.gz RVXTXJATEAHIOW-BGWNEDDSSA-N 1 3 383.580 3.987 20 30 GHEDHO C=CCC[C@H](C)[N@H+]1CC[C@@]2(CN(CC3CC3)C[C@@H]2COCc2ccccn2)C1 ZINC001258728948 1044735562 /nfs/dbraw/zinc/73/55/62/1044735562.db2.gz RVXTXJATEAHIOW-BGWNEDDSSA-N 1 3 383.580 3.987 20 30 GHEDHO C#CCN(C(=O)NCC(CC)(CC)[NH2+][C@@H](C)c1ccccc1)C1CCN(C)CC1 ZINC001477908070 1078623071 /nfs/dbraw/zinc/62/30/71/1078623071.db2.gz WNSMAZOLAQKHKU-FQEVSTJZSA-N 1 3 398.595 3.635 20 30 GHEDHO C[NH+]1CCC(N2CCC(NC(=O)Nc3cccc(-c4nccs4)c3)CC2)CC1 ZINC000329304887 861266871 /nfs/dbraw/zinc/26/68/71/861266871.db2.gz YBMZXIQXZGDHFS-UHFFFAOYSA-N 1 3 399.564 3.695 20 30 GHEDHO C=CCC[C@H](C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000188283323 842873204 /nfs/dbraw/zinc/87/32/04/842873204.db2.gz CIDBEVBAVWLNFH-QFIPXVFZSA-N 1 3 383.580 3.803 20 30 GHEDHO C=CCOc1c(Br)cc(CN[C@@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000414795702 850533246 /nfs/dbraw/zinc/53/32/46/850533246.db2.gz GYWMLASBKSZCNP-GOEBONIOSA-N 1 3 383.330 3.630 20 30 GHEDHO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CCN(CC)CC3)cc2)cc1 ZINC000765011114 859726102 /nfs/dbraw/zinc/72/61/02/859726102.db2.gz SKOWWVZCKWJBMU-NRFANRHFSA-N 1 3 391.559 3.687 20 30 GHEDHO C=C(C)CN(CC)C(=O)[C@H](C)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534228895 866295847 /nfs/dbraw/zinc/29/58/47/866295847.db2.gz HQJCDWBFYSQASA-NRFANRHFSA-N 1 3 383.580 3.788 20 30 GHEDHO C=C(C)CN(CC)C(=O)[C@H](C)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534228895 866295865 /nfs/dbraw/zinc/29/58/65/866295865.db2.gz HQJCDWBFYSQASA-NRFANRHFSA-N 1 3 383.580 3.788 20 30 GHEDHO C=CCN1CCC(NC(=O)NCC(CC)(CC)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000502791375 868242349 /nfs/dbraw/zinc/24/23/49/868242349.db2.gz BBHZJQCCEPEKIK-LJQANCHMSA-N 1 3 386.584 3.846 20 30 GHEDHO C[C@@H]1CN(CCC2CC[NH+](CCCOc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000477303574 877403880 /nfs/dbraw/zinc/40/38/80/877403880.db2.gz PLERVQCWNUAJBS-BGYRXZFFSA-N 1 3 385.552 3.538 20 30 GHEDHO COc1ccc(C[NH+]2CCC(CNCc3cc(C#N)cnc3Cl)CC2)cc1 ZINC000876990120 893421418 /nfs/dbraw/zinc/42/14/18/893421418.db2.gz QNVYTQXVUZPUHJ-UHFFFAOYSA-N 1 3 384.911 3.617 20 30 GHEDHO CO[C@@H]1CC[N@@H+](Cc2cc(C#N)cc(CN3CC[C@H](OC)C[C@H]3C)c2)[C@@H](C)C1 ZINC000878554920 894381086 /nfs/dbraw/zinc/38/10/86/894381086.db2.gz MQDSYNZLIQMJDB-BRNYJPRKSA-N 1 3 385.552 3.557 20 30 GHEDHO CO[C@@H]1CC[N@H+](Cc2cc(C#N)cc(CN3CC[C@H](OC)C[C@H]3C)c2)[C@@H](C)C1 ZINC000878554920 894381098 /nfs/dbraw/zinc/38/10/98/894381098.db2.gz MQDSYNZLIQMJDB-BRNYJPRKSA-N 1 3 385.552 3.557 20 30 GHEDHO CO[C@@H]1CCN(Cc2cc(C#N)cc(C[N@@H+]3CC[C@H](OC)C[C@H]3C)c2)[C@@H](C)C1 ZINC000878554920 894381115 /nfs/dbraw/zinc/38/11/15/894381115.db2.gz MQDSYNZLIQMJDB-BRNYJPRKSA-N 1 3 385.552 3.557 20 30 GHEDHO CO[C@@H]1CCN(Cc2cc(C#N)cc(C[N@H+]3CC[C@H](OC)C[C@H]3C)c2)[C@@H](C)C1 ZINC000878554920 894381130 /nfs/dbraw/zinc/38/11/30/894381130.db2.gz MQDSYNZLIQMJDB-BRNYJPRKSA-N 1 3 385.552 3.557 20 30 GHEDHO C#Cc1ccc(C[NH+]2CCC3(C[C@H](COC)N(Cc4ccccn4)C3)CC2)cc1 ZINC001144568867 902399735 /nfs/dbraw/zinc/39/97/35/902399735.db2.gz GMJRMBIWRPQDAH-XMMPIXPASA-N 1 3 389.543 3.566 20 30 GHEDHO [NH2+]=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)Nc1ccccc1 ZINC000303368883 914730915 /nfs/dbraw/zinc/73/09/15/914730915.db2.gz JESGCOCYVSVKFB-UHFFFAOYSA-N 1 3 399.542 3.936 20 30 GHEDHO CC(C)[NH+]1CCN(C2CCN(CC#Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000270984047 910748761 /nfs/dbraw/zinc/74/87/61/910748761.db2.gz XPQCYCNPCSUXFK-UHFFFAOYSA-N 1 3 393.497 3.547 20 30 GHEDHO N#Cc1ccc(CC[N@@H+]2[C@H](COCc3ccccc3)CCC23CCNCC3)cc1 ZINC001222573775 1030205312 /nfs/dbraw/zinc/20/53/12/1030205312.db2.gz DQIKNCMFPTZEJI-DEOSSOPVSA-N 1 3 389.543 3.904 20 30 GHEDHO N#Cc1ccc(CC[N@H+]2[C@H](COCc3ccccc3)CCC23CCNCC3)cc1 ZINC001222573775 1030205321 /nfs/dbraw/zinc/20/53/21/1030205321.db2.gz DQIKNCMFPTZEJI-DEOSSOPVSA-N 1 3 389.543 3.904 20 30 GHEDHO N#Cc1ccc(CCN2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cc1 ZINC001222573775 1030205324 /nfs/dbraw/zinc/20/53/24/1030205324.db2.gz DQIKNCMFPTZEJI-DEOSSOPVSA-N 1 3 389.543 3.904 20 30 GHEDHO N#Cc1c2c(sc1N=C1C[C@H]3CC[C@@H](C1)N3Cc1ccccc1)C[NH2+]CC2 ZINC001159159393 1034458603 /nfs/dbraw/zinc/45/86/03/1034458603.db2.gz HBDAZCOYRBSPEW-MSOLQXFVSA-N 1 3 376.529 3.998 20 30 GHEDHO COc1ccc2c(c1)C1(CCNCC1)[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)CC2 ZINC001246631015 1037518261 /nfs/dbraw/zinc/51/82/61/1037518261.db2.gz NLPGNWHGNSGFGZ-SFHVURJKSA-N 1 3 375.516 3.635 20 30 GHEDHO COc1ccc2c(c1)C1(CCNCC1)[N@H+]([C@@H](C)Cc1cccc(C#N)c1)CC2 ZINC001246631015 1037518268 /nfs/dbraw/zinc/51/82/68/1037518268.db2.gz NLPGNWHGNSGFGZ-SFHVURJKSA-N 1 3 375.516 3.635 20 30 GHEDHO COc1ccc2c(c1)C1(CCNCC1)[N@@H+]([C@H](C)Cc1cccc(C#N)c1)CC2 ZINC001246631013 1037519473 /nfs/dbraw/zinc/51/94/73/1037519473.db2.gz NLPGNWHGNSGFGZ-GOSISDBHSA-N 1 3 375.516 3.635 20 30 GHEDHO COc1ccc2c(c1)C1(CCNCC1)[N@H+]([C@H](C)Cc1cccc(C#N)c1)CC2 ZINC001246631013 1037519487 /nfs/dbraw/zinc/51/94/87/1037519487.db2.gz NLPGNWHGNSGFGZ-GOSISDBHSA-N 1 3 375.516 3.635 20 30 GHEDHO CC[NH+](CC)CC1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000728927934 844098070 /nfs/dbraw/zinc/09/80/70/844098070.db2.gz IFRGJPVKNZEERU-QGZVFWFLSA-N 1 3 384.549 3.526 20 30 GHEDHO CN(c1ccccc1C=NNCCCOc1ccccc1)C1CC[NH+](C)CC1 ZINC000729148262 844750236 /nfs/dbraw/zinc/75/02/36/844750236.db2.gz WKMVCIGIJUXICD-UHFFFAOYSA-N 1 3 380.536 3.610 20 30 GHEDHO N#Cc1ccc(CN2CCC(N[C@H](C[NH3+])c3ccc4ccccc4c3)CC2)cc1 ZINC000423388329 849896408 /nfs/dbraw/zinc/89/64/08/849896408.db2.gz IOTBIEHGWXIHBI-RUZDIDTESA-N 1 3 384.527 3.965 20 30 GHEDHO N#CC1(c2ccccc2)CCC([NH2+]C2CCN(CC3CCOCC3)CC2)CC1 ZINC001170371130 881433855 /nfs/dbraw/zinc/43/38/55/881433855.db2.gz BQPZHIQTYIDMQL-UHFFFAOYSA-N 1 3 381.564 3.871 20 30 GHEDHO Cc1cc(C[NH2+]CCCCN2CCN(Cc3ccccc3)CC2)ccc1C#N ZINC000443975597 877296052 /nfs/dbraw/zinc/29/60/52/877296052.db2.gz AGJVJWAXKZQVAO-UHFFFAOYSA-N 1 3 376.548 3.554 20 30 GHEDHO CCN(CC)c1ccc(/C=[NH+]/CC2(N3CCCCC3)CC[NH+](C)CC2)c([O-])c1 ZINC000132382565 897771681 /nfs/dbraw/zinc/77/16/81/897771681.db2.gz VZAFAEYYNBXAMY-HKOYGPOVSA-N 1 3 386.584 3.608 20 30 GHEDHO C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)C1 ZINC001171628653 904851388 /nfs/dbraw/zinc/85/13/88/904851388.db2.gz FHFFGUDKXMXBQY-QFIPXVFZSA-N 1 3 377.573 3.748 20 30 GHEDHO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)C1 ZINC001171628653 904851401 /nfs/dbraw/zinc/85/14/01/904851401.db2.gz FHFFGUDKXMXBQY-QFIPXVFZSA-N 1 3 377.573 3.748 20 30 GHEDHO CN(CCCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)Cc1ccccc1 ZINC000303785723 915127427 /nfs/dbraw/zinc/12/74/27/915127427.db2.gz QQZCLFOCCYTZLF-UHFFFAOYSA-N 1 3 380.414 3.834 20 30 GHEDHO C[NH+](C)CCCOc1ccc(CN2CCC[C@H](Oc3ccc(C#N)cc3)C2)cc1 ZINC001204271168 1032714485 /nfs/dbraw/zinc/71/44/85/1032714485.db2.gz HHMNBPBISXJENM-DEOSSOPVSA-N 1 3 393.531 3.932 20 30 GHEDHO C[NH+](C)CCOc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1F ZINC000839190637 1025711560 /nfs/dbraw/zinc/71/15/60/1025711560.db2.gz RLRFPBVRLGOJHK-UHFFFAOYSA-N 1 3 396.510 3.714 20 30 GHEDHO N#Cc1c(NC(=O)C[C@@H](N)c2ccc(Cl)cc2Cl)sc2c1CC[NH2+]C2 ZINC001218552469 1030984196 /nfs/dbraw/zinc/98/41/96/1030984196.db2.gz GOZLRVBUJPZTHP-CQSZACIVSA-N 1 3 395.315 3.601 20 30 GHEDHO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(F)cc(CN(C)C)c1)[C@@H]2CC ZINC001232149701 1035127815 /nfs/dbraw/zinc/12/78/15/1035127815.db2.gz XXFZLJUHPQFCNL-GGAORHGYSA-N 1 3 387.543 3.809 20 30 GHEDHO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cc(F)cc(CN(C)C)c1)[C@@H]2CC ZINC001232149701 1035127820 /nfs/dbraw/zinc/12/78/20/1035127820.db2.gz XXFZLJUHPQFCNL-GGAORHGYSA-N 1 3 387.543 3.809 20 30 GHEDHO CCCCCCCCCCCCOCCOC[C@H](O)CN1CC[C@H](C[NH3+])C1 ZINC001246042571 1037157122 /nfs/dbraw/zinc/15/71/22/1037157122.db2.gz CMHNTRJYYFDYNW-FGZHOGPDSA-N 1 3 386.621 3.582 20 30 GHEDHO CCCCCCCCCCCCOCCOC[C@H](O)CN1CC2(CC([NH3+])C2)C1 ZINC001246043253 1037157394 /nfs/dbraw/zinc/15/73/94/1037157394.db2.gz DYMWTAIWEHHYMF-JOCHJYFZSA-N 1 3 398.632 3.725 20 30 GHEDHO C[NH2+]CC[C@H](C)NC(=N)c1cc2ccc(OC(=O)c3cccs3)cc2s1 ZINC001246296818 1037282889 /nfs/dbraw/zinc/28/28/89/1037282889.db2.gz UGXYKQPRBCTKTQ-LBPRGKRZSA-N 1 3 387.530 3.885 20 30 GHEDHO CCCCN(C[C@@H](O)COc1ccccc1C#N)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001473683255 1074085141 /nfs/dbraw/zinc/08/51/41/1074085141.db2.gz MMFGSJREOGVXFQ-HXUWFJFHSA-N 1 3 387.568 3.709 20 30 GHEDHO C[C@H](C#N)Oc1ccc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000376729480 838647222 /nfs/dbraw/zinc/64/72/22/838647222.db2.gz QGFLVYDWTYWUQK-GOSISDBHSA-N 1 3 379.504 3.740 20 30 GHEDHO C=CCOc1ccc(CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1 ZINC000512575039 844629321 /nfs/dbraw/zinc/62/93/21/844629321.db2.gz VHCJWQNVQUHZOS-UHFFFAOYSA-N 1 3 385.939 3.946 20 30 GHEDHO C#CCN1CCC(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)CC1 ZINC000843693822 843162530 /nfs/dbraw/zinc/16/25/30/843162530.db2.gz PGNMDDISTZEFLX-UHFFFAOYSA-N 1 3 385.577 3.548 20 30 GHEDHO N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000611393309 859734917 /nfs/dbraw/zinc/73/49/17/859734917.db2.gz BRUBPSXSUJHEKI-DEOSSOPVSA-N 1 3 375.516 3.682 20 30 GHEDHO CCCCCCC[C@H](C)CNC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000127506715 894826935 /nfs/dbraw/zinc/82/69/35/894826935.db2.gz UYGOWEWNUYUUPE-IBGZPJMESA-N 1 3 380.621 3.841 20 30 GHEDHO C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1CCCC[N@H+]1C(C)C ZINC000412987596 928075920 /nfs/dbraw/zinc/07/59/20/928075920.db2.gz KKYQZRONEMJNMF-IBGZPJMESA-N 1 3 391.629 3.848 20 30 GHEDHO C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1CCCC[N@@H+]1C(C)C ZINC000412987596 928075947 /nfs/dbraw/zinc/07/59/47/928075947.db2.gz KKYQZRONEMJNMF-IBGZPJMESA-N 1 3 391.629 3.848 20 30 GHEDHO C#CCOc1ccc(C[NH+]2CCC3(CCCN3Cc3c(C)noc3C)CC2)cc1 ZINC001138559991 1025022768 /nfs/dbraw/zinc/02/27/68/1025022768.db2.gz YYSRDOJYPFQIJW-UHFFFAOYSA-N 1 3 393.531 3.934 20 30 GHEDHO N#Cc1cc(Cl)nc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1 ZINC001159460306 1034605537 /nfs/dbraw/zinc/60/55/37/1034605537.db2.gz RXHZOLDYPRVEKX-UHFFFAOYSA-N 1 3 379.895 3.516 20 30 GHEDHO CCCCCCCCCC[C@@H](O)CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001252983692 1039311109 /nfs/dbraw/zinc/31/11/09/1039311109.db2.gz YJFREBIUBOLVKV-HSZRJFAPSA-N 1 3 381.649 3.838 20 30 GHEDHO N#CC1(c2ccc(F)cc2)CCC(N2CCC([NH3+])(Cc3cccnc3)CC2)CC1 ZINC001254351369 1040184463 /nfs/dbraw/zinc/18/44/63/1040184463.db2.gz XXDMMBUQBSYMDZ-UHFFFAOYSA-N 1 3 392.522 3.961 20 30 GHEDHO CSc1nc(CN(Cc2ccc(F)cc2)CC2CC[NH2+]CC2)ccc1C#N ZINC001236382059 1041691678 /nfs/dbraw/zinc/69/16/78/1041691678.db2.gz NRFGBCNWOMPGBQ-UHFFFAOYSA-N 1 3 384.524 3.816 20 30 GHEDHO C=CCO[C@H]1CO[C@]2(C1)CCCN(C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258141944 1044429555 /nfs/dbraw/zinc/42/95/55/1044429555.db2.gz QEHQEUSCYZIXNW-RPWUZVMVSA-N 1 3 384.564 3.520 20 30 GHEDHO C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001308487594 1049987621 /nfs/dbraw/zinc/98/76/21/1049987621.db2.gz CWGXVNPZLLJORZ-AUSIDOKSSA-N 1 3 399.542 3.816 20 30 GHEDHO C[C@H](C#N)Oc1ccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000732230789 862162568 /nfs/dbraw/zinc/16/25/68/862162568.db2.gz TTWVDYLCTCZVPC-LJQANCHMSA-N 1 3 379.504 3.742 20 30 GHEDHO C=CCN1CCC(NC(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000171710838 856238741 /nfs/dbraw/zinc/23/87/41/856238741.db2.gz ABFPUIATRAGDKL-PMACEKPBSA-N 1 3 398.595 3.614 20 30 GHEDHO [NH2+]=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)NC1CCN(Cc2ccccc2)CC1 ZINC000262806689 882242165 /nfs/dbraw/zinc/24/21/65/882242165.db2.gz NNJYJZPVGUAFQB-LEWJYISDSA-N 1 3 382.939 3.765 20 30 GHEDHO CC[C@@H]([NH2+]Cc1ccccc1CN1CCN(CC)CC1)c1ccc(C#N)cc1 ZINC000447543235 871814082 /nfs/dbraw/zinc/81/40/82/871814082.db2.gz LFPKUFPYHUQODR-XMMPIXPASA-N 1 3 376.548 3.937 20 30 GHEDHO C#CCOc1ccc([C@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000182238608 872063745 /nfs/dbraw/zinc/06/37/45/872063745.db2.gz NPGFXJAYIHHSSJ-WMZHIEFXSA-N 1 3 378.516 3.506 20 30 GHEDHO C#CCOc1ccc([C@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000182238608 872063767 /nfs/dbraw/zinc/06/37/67/872063767.db2.gz NPGFXJAYIHHSSJ-WMZHIEFXSA-N 1 3 378.516 3.506 20 30 GHEDHO C[C@@H]1CN(CCC2CC[NH+](CCCOc3cccc(C#N)c3)CC2)C[C@@H](C)O1 ZINC000477303581 877403689 /nfs/dbraw/zinc/40/36/89/877403689.db2.gz PLERVQCWNUAJBS-WOJBJXKFSA-N 1 3 385.552 3.538 20 30 GHEDHO Cc1ccc(CN2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)cc1C#N ZINC000859362961 883774608 /nfs/dbraw/zinc/77/46/08/883774608.db2.gz CNIUMPDHXNZFFU-HSZRJFAPSA-N 1 3 378.520 3.755 20 30 GHEDHO Cc1ccc(CN2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc1C#N ZINC000859362961 883774614 /nfs/dbraw/zinc/77/46/14/883774614.db2.gz CNIUMPDHXNZFFU-HSZRJFAPSA-N 1 3 378.520 3.755 20 30 GHEDHO CC(C)[NH+]1CCC(N(C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000331495421 898939162 /nfs/dbraw/zinc/93/91/62/898939162.db2.gz YYDBHOMOCLGNES-UHFFFAOYSA-N 1 3 388.581 3.632 20 30 GHEDHO C#C[C@@H]([NH2+]C1CCC(C)(N2CCOCC2)CC1)c1ccc(Br)cc1 ZINC001182034059 911137987 /nfs/dbraw/zinc/13/79/87/911137987.db2.gz SHRCAORABXWYLJ-IOJLRTSASA-N 1 3 391.353 3.747 20 30 GHEDHO Cc1ccc(NC(=[NH2+])NCCCCN2CCN(c3ccccc3)CC2)cc1C ZINC000303883842 915297009 /nfs/dbraw/zinc/29/70/09/915297009.db2.gz IUKQZYACYUTDLJ-UHFFFAOYSA-N 1 3 379.552 3.632 20 30 GHEDHO C=CCCCCC[C@H](N)C(=O)N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001160421638 1034968564 /nfs/dbraw/zinc/96/85/64/1034968564.db2.gz COEXUPZQBKEFDP-FCJDFRRUSA-N 1 3 398.595 3.604 20 30 GHEDHO C=CCCCCC[C@H](N)C(=O)N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001160421638 1034968567 /nfs/dbraw/zinc/96/85/67/1034968567.db2.gz COEXUPZQBKEFDP-FCJDFRRUSA-N 1 3 398.595 3.604 20 30 GHEDHO C=CCCCCC[C@H](N)C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001160901675 1035090126 /nfs/dbraw/zinc/09/01/26/1035090126.db2.gz DVUDMPSIEPRKDM-JFDBCFPISA-N 1 3 385.596 3.872 20 30 GHEDHO C=CCCCCC[C@H](N)C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001160901675 1035090135 /nfs/dbraw/zinc/09/01/35/1035090135.db2.gz DVUDMPSIEPRKDM-JFDBCFPISA-N 1 3 385.596 3.872 20 30 GHEDHO CCCCCCCCCC[C@H](O)CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001252983694 1039313116 /nfs/dbraw/zinc/31/31/16/1039313116.db2.gz YJFREBIUBOLVKV-QHCPKHFHSA-N 1 3 381.649 3.838 20 30 GHEDHO N#Cc1ccc(Oc2ccc(CN3CCC(C4CC[NH2+]CC4)CC3)cn2)cc1 ZINC001235702393 1041183128 /nfs/dbraw/zinc/18/31/28/1041183128.db2.gz UFWJSKJPDDTCJV-UHFFFAOYSA-N 1 3 376.504 3.957 20 30 GHEDHO N#CC1(c2cccnc2-c2cncc(C[NH3+])c2)CCN(Cc2ccccc2)CC1 ZINC001239787450 1042851019 /nfs/dbraw/zinc/85/10/19/1042851019.db2.gz ZQFWGLXJLSXXDS-UHFFFAOYSA-N 1 3 383.499 3.660 20 30 GHEDHO C(#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1)CN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661876462 842273831 /nfs/dbraw/zinc/27/38/31/842273831.db2.gz UDWIFJJOGNOQJQ-ZJZGAYNASA-N 1 3 388.596 3.552 20 30 GHEDHO C(#CC[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1)CN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661876462 842273838 /nfs/dbraw/zinc/27/38/38/842273838.db2.gz UDWIFJJOGNOQJQ-ZJZGAYNASA-N 1 3 388.596 3.552 20 30 GHEDHO N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000611622465 847600095 /nfs/dbraw/zinc/60/00/95/847600095.db2.gz JVQHVQDIGBPYPE-VWNXMTODSA-N 1 3 375.516 3.682 20 30 GHEDHO N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000611622465 847600102 /nfs/dbraw/zinc/60/01/02/847600102.db2.gz JVQHVQDIGBPYPE-VWNXMTODSA-N 1 3 375.516 3.682 20 30 GHEDHO CC[C@H]([NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1)c1ccc(C#N)cc1 ZINC000447546430 871819214 /nfs/dbraw/zinc/81/92/14/871819214.db2.gz VVHXWESSWXWQEF-DEOSSOPVSA-N 1 3 376.548 3.937 20 30 GHEDHO N#CCc1cccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1F ZINC001170527838 885563761 /nfs/dbraw/zinc/56/37/61/885563761.db2.gz DTIYZGMQRRGEAS-UHFFFAOYSA-N 1 3 376.479 3.801 20 30 GHEDHO CC1([NH+]2CCCCC2)CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000879950021 895420926 /nfs/dbraw/zinc/42/09/26/895420926.db2.gz CMVKFWFUKBJEFH-KRWDZBQOSA-N 1 3 396.560 3.813 20 30 GHEDHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)c3ccc(OCC#N)cc3)cc2)CC1 ZINC000181518355 907018575 /nfs/dbraw/zinc/01/85/75/907018575.db2.gz YFSRAKFATADDHS-HXUWFJFHSA-N 1 3 392.547 3.577 20 30 GHEDHO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000183198420 907348712 /nfs/dbraw/zinc/34/87/12/907348712.db2.gz XYBBKPSPBFESEH-DENIHFKCSA-N 1 3 380.580 3.765 20 30 GHEDHO C=CCCCCC[C@H](N)C(=O)N1CCC([NH3+])(c2cccc(C(F)(F)F)c2)CC1 ZINC001221089180 1032280927 /nfs/dbraw/zinc/28/09/27/1032280927.db2.gz LERWJUVSIZNXOI-SFHVURJKSA-N 1 3 397.485 3.946 20 30 GHEDHO N#Cc1c(NC(=O)C[C@@H](N)c2cccc(Cl)c2Cl)sc2c1CC[NH2+]C2 ZINC001218554609 1030985234 /nfs/dbraw/zinc/98/52/34/1030985234.db2.gz VACLJWXDVZTOOX-CYBMUJFWSA-N 1 3 395.315 3.601 20 30 GHEDHO C=CCCCCC[C@H](N)C(=O)N1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001161058477 1035128610 /nfs/dbraw/zinc/12/86/10/1035128610.db2.gz WCJGAKVGDMPNAY-NRFANRHFSA-N 1 3 375.532 3.712 20 30 GHEDHO C=CCCCCC[C@H](N)C(=O)N1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001161058477 1035128614 /nfs/dbraw/zinc/12/86/14/1035128614.db2.gz WCJGAKVGDMPNAY-NRFANRHFSA-N 1 3 375.532 3.712 20 30 GHEDHO N=C(NC1CC[NH2+]CC1)c1cc2ccc(OC(=O)c3cccs3)cc2s1 ZINC001246290899 1037279678 /nfs/dbraw/zinc/27/96/78/1037279678.db2.gz DZWMRKHEYRXQNY-UHFFFAOYSA-N 1 3 385.514 3.639 20 30 GHEDHO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3CCN[C@@H](CCCC)C3)C2)CC1 ZINC001246526769 1037457768 /nfs/dbraw/zinc/45/77/68/1037457768.db2.gz QXGIMMPYRKNDEF-VQTJNVASSA-N 1 3 377.573 3.798 20 30 GHEDHO C=CCOC(=O)N1CCC2(CCC[N@H+]([C@@H]3CCN[C@@H](CCCC)C3)C2)CC1 ZINC001246526769 1037457785 /nfs/dbraw/zinc/45/77/85/1037457785.db2.gz QXGIMMPYRKNDEF-VQTJNVASSA-N 1 3 377.573 3.798 20 30 GHEDHO C=CCOC(=O)N1CCC2(CCCN([C@@H]3CC[NH2+][C@@H](CCCC)C3)C2)CC1 ZINC001246526769 1037457802 /nfs/dbraw/zinc/45/78/02/1037457802.db2.gz QXGIMMPYRKNDEF-VQTJNVASSA-N 1 3 377.573 3.798 20 30 GHEDHO C=CCOC(=O)N1CCC[C@]2(CCN([C@H]3CC[NH2+]C4(CCCCC4)C3)C2)C1 ZINC001246552037 1037477072 /nfs/dbraw/zinc/47/70/72/1037477072.db2.gz UQBGMJXZTBILTE-PZJWPPBQSA-N 1 3 375.557 3.552 20 30 GHEDHO CCCCCCCCOc1ccc(-c2noc(C34CNCC3C[NH2+]C4)n2)cc1 ZINC001247850270 1038424364 /nfs/dbraw/zinc/42/43/64/1038424364.db2.gz JRSSWNXPXFMIEM-UHFFFAOYSA-N 1 3 384.524 3.536 20 30 GHEDHO COc1ccc2c(c1)C1(CCNCC1)[N@@H+](CCCc1cccc(C#N)c1)CC2 ZINC001235020611 1040513216 /nfs/dbraw/zinc/51/32/16/1040513216.db2.gz UIPHEDXHAOHYKC-UHFFFAOYSA-N 1 3 375.516 3.636 20 30 GHEDHO COc1ccc2c(c1)C1(CCNCC1)[N@H+](CCCc1cccc(C#N)c1)CC2 ZINC001235020611 1040513232 /nfs/dbraw/zinc/51/32/32/1040513232.db2.gz UIPHEDXHAOHYKC-UHFFFAOYSA-N 1 3 375.516 3.636 20 30 GHEDHO C=CCN1C(=O)CCC12CCN([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC001255143447 1040854875 /nfs/dbraw/zinc/85/48/75/1040854875.db2.gz WKNDHPACGQIQGK-JKHIJQBDSA-N 1 3 393.575 3.825 20 30 GHEDHO C=CCN1C(=O)CCC12CCN([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001255143447 1040854889 /nfs/dbraw/zinc/85/48/89/1040854889.db2.gz WKNDHPACGQIQGK-JKHIJQBDSA-N 1 3 393.575 3.825 20 30 GHEDHO N#Cc1cccc(NC(=O)CC[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)c1 ZINC001326596056 1057518968 /nfs/dbraw/zinc/51/89/68/1057518968.db2.gz IAWTZJIJWXDICQ-JOCHJYFZSA-N 1 3 390.531 3.779 20 30 GHEDHO N#Cc1cccc(NC(=O)CCNC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC001326596056 1057518974 /nfs/dbraw/zinc/51/89/74/1057518974.db2.gz IAWTZJIJWXDICQ-JOCHJYFZSA-N 1 3 390.531 3.779 20 30 GHEDHO N#Cc1cccc(NC(=O)CCNC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001326596056 1057518984 /nfs/dbraw/zinc/51/89/84/1057518984.db2.gz IAWTZJIJWXDICQ-JOCHJYFZSA-N 1 3 390.531 3.779 20 30 GHEDHO N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000611622457 847600052 /nfs/dbraw/zinc/60/00/52/847600052.db2.gz JVQHVQDIGBPYPE-ISKFKSNPSA-N 1 3 375.516 3.682 20 30 GHEDHO N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000611622457 847600063 /nfs/dbraw/zinc/60/00/63/847600063.db2.gz JVQHVQDIGBPYPE-ISKFKSNPSA-N 1 3 375.516 3.682 20 30 GHEDHO [NH2+]=C(NCc1csc2ccccc12)NC1CCN(Cc2ccccc2)CC1 ZINC000261973803 853363662 /nfs/dbraw/zinc/36/36/62/853363662.db2.gz FDKDLKYIJNYPMD-UHFFFAOYSA-N 1 3 378.545 3.970 20 30 GHEDHO C[C@H]1CCC[C@@H](N2CCC([NH2+]C3CCN(c4ccc(C#N)cn4)CC3)CC2)C1 ZINC000161703248 861178731 /nfs/dbraw/zinc/17/87/31/861178731.db2.gz MTMNCZPTINDVSX-PGRDOPGGSA-N 1 3 381.568 3.555 20 30 GHEDHO C#CCOc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000182238634 872064360 /nfs/dbraw/zinc/06/43/60/872064360.db2.gz NPGFXJAYIHHSSJ-AUSIDOKSSA-N 1 3 378.516 3.506 20 30 GHEDHO C#CCOc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000182238634 872064380 /nfs/dbraw/zinc/06/43/80/872064380.db2.gz NPGFXJAYIHHSSJ-AUSIDOKSSA-N 1 3 378.516 3.506 20 30 GHEDHO C=C(C)CN1CCC(NC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000119568330 886756246 /nfs/dbraw/zinc/75/62/46/886756246.db2.gz RKMWAMLFWZZNGY-FQEVSTJZSA-N 1 3 390.616 3.713 20 30 GHEDHO C=C(C)CN1CCC(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000119568330 886756251 /nfs/dbraw/zinc/75/62/51/886756251.db2.gz RKMWAMLFWZZNGY-FQEVSTJZSA-N 1 3 390.616 3.713 20 30 GHEDHO C=CCn1c(CCN2CCCCC2)nnc1SCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000571657761 899941567 /nfs/dbraw/zinc/94/15/67/899941567.db2.gz BYOOQNPFVNNSJU-OALUTQOASA-N 1 3 391.629 3.563 20 30 GHEDHO C=CCc1cc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)cc(OC)c1O ZINC000284195641 911787907 /nfs/dbraw/zinc/78/79/07/911787907.db2.gz YOMRPXQKRCYHOJ-UHFFFAOYSA-N 1 3 396.531 3.892 20 30 GHEDHO [NH2+]=C(NCCCN1CCc2ccccc2C1)Nc1ccccc1OC(F)(F)F ZINC000305203623 916007138 /nfs/dbraw/zinc/00/71/38/916007138.db2.gz FWDFDNFWVLKRPH-UHFFFAOYSA-N 1 3 392.425 3.760 20 30 GHEDHO C=CCCCCC[C@H](N)C(=O)Nc1cc(F)ccc1OCC1CC[NH2+]CC1 ZINC001219129327 1031264745 /nfs/dbraw/zinc/26/47/45/1031264745.db2.gz LENZHKCROCNKPU-SFHVURJKSA-N 1 3 377.504 3.606 20 30 GHEDHO N#Cc1cc(Nc2cccc(CN3CCCCC3)c2F)ccc1N1CC[NH2+]CC1 ZINC001159748984 1034731963 /nfs/dbraw/zinc/73/19/63/1034731963.db2.gz TWBNXWDUUQNXPV-UHFFFAOYSA-N 1 3 393.510 3.836 20 30 GHEDHO C=CCOC(=O)N1CCCC2(CCN([C@@H]3CC[NH2+]C4(CCCCC4)C3)CC2)C1 ZINC001246528489 1037464506 /nfs/dbraw/zinc/46/45/06/1037464506.db2.gz XWGOVGIDODFDAZ-HXUWFJFHSA-N 1 3 389.584 3.942 20 30 GHEDHO COc1ccc2c(c1)C1(CCNCC1)[N@@H+](CCCc1ccc(C#N)cc1)CC2 ZINC001235019212 1040508600 /nfs/dbraw/zinc/50/86/00/1040508600.db2.gz NUFLEKLXQGVPTM-UHFFFAOYSA-N 1 3 375.516 3.636 20 30 GHEDHO COc1ccc2c(c1)C1(CCNCC1)[N@H+](CCCc1ccc(C#N)cc1)CC2 ZINC001235019212 1040508620 /nfs/dbraw/zinc/50/86/20/1040508620.db2.gz NUFLEKLXQGVPTM-UHFFFAOYSA-N 1 3 375.516 3.636 20 30 GHEDHO C=CCN1CC[C@@]2(CN(CCC[NH2+]C3CCCCC3)C[C@@H]2c2ccccc2)C1=O ZINC001235497841 1040961756 /nfs/dbraw/zinc/96/17/56/1040961756.db2.gz MNPRPWQETGGAIH-NOZRDPDXSA-N 1 3 395.591 3.803 20 30 GHEDHO CC1(C)[NH2+][C@@H](CCN2CC[C@@H](C(C#N)(c3ccccc3)c3ccccc3)C2)CO1 ZINC001236158281 1041580633 /nfs/dbraw/zinc/58/06/33/1041580633.db2.gz NYIJBABKSZIWLY-PKTZIBPZSA-N 1 3 389.543 3.933 20 30 GHEDHO C=CCN1CCC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001327785905 1050277563 /nfs/dbraw/zinc/27/75/63/1050277563.db2.gz UZUPUFVETNJPBZ-NOTZXAQLSA-N 1 3 396.579 3.522 20 30 GHEDHO C=CCN1CCC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001327785905 1050277577 /nfs/dbraw/zinc/27/75/77/1050277577.db2.gz UZUPUFVETNJPBZ-NOTZXAQLSA-N 1 3 396.579 3.522 20 30 GHEDHO C[N@@H+]1CCC[C@@H](CNCCC(=O)Nc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC001329140971 1050731359 /nfs/dbraw/zinc/73/13/59/1050731359.db2.gz IRCYNUCAQCDNFZ-LAUBAEHRSA-N 1 3 382.533 3.621 20 30 GHEDHO C[N@H+]1CCC[C@@H](CNCCC(=O)Nc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC001329140971 1050731369 /nfs/dbraw/zinc/73/13/69/1050731369.db2.gz IRCYNUCAQCDNFZ-LAUBAEHRSA-N 1 3 382.533 3.621 20 30 GHEDHO C[C@@H]1CCC[C@H](N2CCC([NH2+]C3CCN(c4ccc(C#N)cn4)CC3)CC2)C1 ZINC000161702862 843134122 /nfs/dbraw/zinc/13/41/22/843134122.db2.gz MTMNCZPTINDVSX-GCJKJVERSA-N 1 3 381.568 3.555 20 30 GHEDHO C=CCOc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc1OC ZINC000657611640 848325394 /nfs/dbraw/zinc/32/53/94/848325394.db2.gz AQPRWLZEVHEFLT-UHFFFAOYSA-N 1 3 381.520 3.657 20 30 GHEDHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001137119617 893572740 /nfs/dbraw/zinc/57/27/40/893572740.db2.gz ZOPDFVOMNOHBGW-TUACAJSNSA-N 1 3 390.531 3.716 20 30 GHEDHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001137119617 893572759 /nfs/dbraw/zinc/57/27/59/893572759.db2.gz ZOPDFVOMNOHBGW-TUACAJSNSA-N 1 3 390.531 3.716 20 30 GHEDHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC[C@H](O)c2ccc(C#N)cc2)C1 ZINC000818961690 896267193 /nfs/dbraw/zinc/26/71/93/896267193.db2.gz VHJHKIWKTHIEFE-IECBHUPTSA-N 1 3 377.532 3.859 20 30 GHEDHO C[C@@H](NCCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000883343708 897511361 /nfs/dbraw/zinc/51/13/61/897511361.db2.gz WNEAVUMIEIULIC-GOSISDBHSA-N 1 3 381.495 3.765 20 30 GHEDHO N#CCC1CCC([N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCC3CC3)C2)CC1 ZINC001173334131 906377301 /nfs/dbraw/zinc/37/73/01/906377301.db2.gz VDGDAABZCIJVBP-YXCLHDAWSA-N 1 3 385.596 3.919 20 30 GHEDHO N#CCC1CCC([N@H+]2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCC3CC3)C2)CC1 ZINC001173334131 906377318 /nfs/dbraw/zinc/37/73/18/906377318.db2.gz VDGDAABZCIJVBP-YXCLHDAWSA-N 1 3 385.596 3.919 20 30 GHEDHO COCCN(Cc1ccc(N(C)c2ccc(C#N)cc2)cc1)C1CC[NH+](C)CC1 ZINC001137902713 935856814 /nfs/dbraw/zinc/85/68/14/935856814.db2.gz PFGFUGAYMZJVNP-UHFFFAOYSA-N 1 3 392.547 3.869 20 30 GHEDHO N#Cc1nc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)ccc1Cl ZINC001159460698 1034606411 /nfs/dbraw/zinc/60/64/11/1034606411.db2.gz YBMCJPFIFYMLFV-UHFFFAOYSA-N 1 3 379.895 3.516 20 30 GHEDHO C=CCOC[C@H]1CCC[C@@]12C[N@H+](C[C@H]1CCCN(Cc3ccccc3)C1)CCO2 ZINC001208937990 1035105052 /nfs/dbraw/zinc/10/50/52/1035105052.db2.gz YWHINDIHAOISOR-ISJGIBHGSA-N 1 3 398.591 3.972 20 30 GHEDHO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](C[C@H]1CCCN(Cc3ccccc3)C1)CCO2 ZINC001208937990 1035105054 /nfs/dbraw/zinc/10/50/54/1035105054.db2.gz YWHINDIHAOISOR-ISJGIBHGSA-N 1 3 398.591 3.972 20 30 GHEDHO C=CCN(CC[NH+]1CCC2(CC[C@@H]2N(C)Cc2ccco2)CC1)C(=O)OCC ZINC001209019784 1035152444 /nfs/dbraw/zinc/15/24/44/1035152444.db2.gz SUXVXPJOBDGWRU-FQEVSTJZSA-N 1 3 389.540 3.601 20 30 GHEDHO C=CCN(CCN1CCC2(CC[C@@H]2[N@H+](C)Cc2ccco2)CC1)C(=O)OCC ZINC001209019784 1035152448 /nfs/dbraw/zinc/15/24/48/1035152448.db2.gz SUXVXPJOBDGWRU-FQEVSTJZSA-N 1 3 389.540 3.601 20 30 GHEDHO C=CCN(CCN1CCC2(CC[C@@H]2[N@@H+](C)Cc2ccco2)CC1)C(=O)OCC ZINC001209019784 1035152454 /nfs/dbraw/zinc/15/24/54/1035152454.db2.gz SUXVXPJOBDGWRU-FQEVSTJZSA-N 1 3 389.540 3.601 20 30 GHEDHO CCCCCCCCCCCCOCCOC[C@H](O)CNC[C@@H]1CC[NH2+]C1 ZINC001245979336 1037103991 /nfs/dbraw/zinc/10/39/91/1037103991.db2.gz ULRUYZNEGGVPIR-FGZHOGPDSA-N 1 3 386.621 3.501 20 30 GHEDHO C=CCOC(=O)N1CCCC2(CCN([C@H]3CC[NH2+][C@@H](C(C)(C)C)C3)CC2)C1 ZINC001246527435 1037460728 /nfs/dbraw/zinc/46/07/28/1037460728.db2.gz UMWPWKWDUPRPNN-RBUKOAKNSA-N 1 3 377.573 3.654 20 30 GHEDHO C=CCOC(=O)N1CCCC2(CCN([C@H]3CC[NH2+]C4(CCCCC4)C3)CC2)C1 ZINC001246528487 1037461834 /nfs/dbraw/zinc/46/18/34/1037461834.db2.gz XWGOVGIDODFDAZ-FQEVSTJZSA-N 1 3 389.584 3.942 20 30 GHEDHO CN(CCC#N)c1ccc(CN2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235375369 1040886480 /nfs/dbraw/zinc/88/64/80/1040886480.db2.gz ZNURZLSCNDLTRS-NOZRDPDXSA-N 1 3 388.559 3.790 20 30 GHEDHO N#Cc1ccc(OC2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)cc1Cl ZINC001235970070 1041475188 /nfs/dbraw/zinc/47/51/88/1041475188.db2.gz HUCCLWLRYQWZBL-UHFFFAOYSA-N 1 3 381.907 3.901 20 30 GHEDHO C[N@@H+]1CCC[C@H](CNCCC(=O)Nc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC001329140975 1050731921 /nfs/dbraw/zinc/73/19/21/1050731921.db2.gz IRCYNUCAQCDNFZ-UTKZUKDTSA-N 1 3 382.533 3.621 20 30 GHEDHO C[N@H+]1CCC[C@H](CNCCC(=O)Nc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC001329140975 1050731939 /nfs/dbraw/zinc/73/19/39/1050731939.db2.gz IRCYNUCAQCDNFZ-UTKZUKDTSA-N 1 3 382.533 3.621 20 30 GHEDHO N#CCOc1ccc(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000248405790 845303534 /nfs/dbraw/zinc/30/35/34/845303534.db2.gz RTKRNFGTXKWVCR-YFNKSVMNSA-N 1 3 375.516 3.979 20 30 GHEDHO N#CCOc1ccc(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000248405790 845303542 /nfs/dbraw/zinc/30/35/42/845303542.db2.gz RTKRNFGTXKWVCR-YFNKSVMNSA-N 1 3 375.516 3.979 20 30 GHEDHO C=CCCC1(CNC(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CCCC1 ZINC000617417849 851891959 /nfs/dbraw/zinc/89/19/59/851891959.db2.gz IUVWUGGLWYEPGP-UHFFFAOYSA-N 1 3 375.601 3.826 20 30 GHEDHO CC1(c2ccccc2)CC(NC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C1 ZINC000262075041 853249610 /nfs/dbraw/zinc/24/96/10/853249610.db2.gz DLJUIFHTCJJVDF-UHFFFAOYSA-N 1 3 376.548 3.676 20 30 GHEDHO C=CCN1CCC(NC(=O)N(CC)[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000473961368 854440441 /nfs/dbraw/zinc/44/04/41/854440441.db2.gz WNIPSMUJBSWJKU-UGKGYDQZSA-N 1 3 384.568 3.504 20 30 GHEDHO C=CCN1CCC(NC(=O)N(CC)[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000473961368 854440444 /nfs/dbraw/zinc/44/04/44/854440444.db2.gz WNIPSMUJBSWJKU-UGKGYDQZSA-N 1 3 384.568 3.504 20 30 GHEDHO CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2CN(Cc3ccccc3)CCCO2)c(O)c1 ZINC000760976912 856888802 /nfs/dbraw/zinc/88/88/02/856888802.db2.gz AICLBJYVBTVTND-DZQSVEARSA-N 1 3 395.547 3.948 20 30 GHEDHO CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000173642303 857048988 /nfs/dbraw/zinc/04/89/88/857048988.db2.gz BWMATNDWDCINOW-MRXNPFEDSA-N 1 3 388.581 3.633 20 30 GHEDHO CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000173642303 857048991 /nfs/dbraw/zinc/04/89/91/857048991.db2.gz BWMATNDWDCINOW-MRXNPFEDSA-N 1 3 388.581 3.633 20 30 GHEDHO C=CC[NH+]1CCC(NCc2cc(Br)cc(Br)c2)CC1 ZINC000673601549 860374246 /nfs/dbraw/zinc/37/42/46/860374246.db2.gz CTUFDVBIGANQLW-UHFFFAOYSA-N 1 3 388.147 3.952 20 30 GHEDHO C=CCN1CCC(NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000171728248 865346135 /nfs/dbraw/zinc/34/61/35/865346135.db2.gz DTXZFVOVPHTUFL-UHFFFAOYSA-N 1 3 384.568 3.512 20 30 GHEDHO C=CCCC[C@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000878553407 894380499 /nfs/dbraw/zinc/38/04/99/894380499.db2.gz YZBQBLWPLMWETR-QHCPKHFHSA-N 1 3 383.580 3.801 20 30 GHEDHO CC1([NH+]2CCCCC2)CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000879950022 895420869 /nfs/dbraw/zinc/42/08/69/895420869.db2.gz CMVKFWFUKBJEFH-QGZVFWFLSA-N 1 3 396.560 3.813 20 30 GHEDHO N#Cc1ccc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1F ZINC000817408814 895587968 /nfs/dbraw/zinc/58/79/68/895587968.db2.gz PPJRAFFWCDVGBP-UHFFFAOYSA-N 1 3 378.495 3.519 20 30 GHEDHO C=CCOc1ccc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1Cl ZINC001178462351 909064360 /nfs/dbraw/zinc/06/43/60/909064360.db2.gz CCVUMUZJBMSTRA-FQEVSTJZSA-N 1 3 386.923 3.761 20 30 GHEDHO C=CCOc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1Cl ZINC001178462351 909064374 /nfs/dbraw/zinc/06/43/74/909064374.db2.gz CCVUMUZJBMSTRA-FQEVSTJZSA-N 1 3 386.923 3.761 20 30 GHEDHO C=CCCCCC[C@H](N)C(=O)N1CCC([NH3+])(Cc2cccc(Cl)c2)CC1 ZINC001221136862 1032302707 /nfs/dbraw/zinc/30/27/07/1032302707.db2.gz WDUMTASJQGUJFT-IBGZPJMESA-N 1 3 377.960 3.666 20 30 GHEDHO C[NH+](C)CCCOc1ccc(CN2CCC[C@H](Oc3cccc(C#N)c3)C2)cc1 ZINC001204270128 1032713266 /nfs/dbraw/zinc/71/32/66/1032713266.db2.gz PVDYBHIYPCJQBE-DEOSSOPVSA-N 1 3 393.531 3.932 20 30 GHEDHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000840962454 1027995987 /nfs/dbraw/zinc/99/59/87/1027995987.db2.gz COXDQZBJCKXWST-BPUDTRNYSA-N 1 3 393.531 3.604 20 30 GHEDHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000840962454 1027995999 /nfs/dbraw/zinc/99/59/99/1027995999.db2.gz COXDQZBJCKXWST-BPUDTRNYSA-N 1 3 393.531 3.604 20 30 GHEDHO N#Cc1c(Cl)ccnc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001159459938 1034604267 /nfs/dbraw/zinc/60/42/67/1034604267.db2.gz HWZQONYOUQLCCM-UHFFFAOYSA-N 1 3 379.895 3.516 20 30 GHEDHO CCCCCCCCCCCCOCCOC[C@@H](O)CN1CC2(CC([NH3+])C2)C1 ZINC001246043255 1037156689 /nfs/dbraw/zinc/15/66/89/1037156689.db2.gz DYMWTAIWEHHYMF-QFIPXVFZSA-N 1 3 398.632 3.725 20 30 GHEDHO CCCCCCC[C@H](C)[NH2+][C@H](C(CC)CC)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246413419 1037369913 /nfs/dbraw/zinc/36/99/13/1037369913.db2.gz WUMXBYVBYXKEPY-JSNNEVCYSA-N 1 3 384.605 3.627 20 30 GHEDHO C=CCN1CC[C@@]2(C[N@H+]([C@@H]3CCN[C@@H](CCCC)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246704496 1037558202 /nfs/dbraw/zinc/55/82/02/1037558202.db2.gz WAASHXGGNDRSNS-KBOSCXGNSA-N 1 3 395.591 3.801 20 30 GHEDHO C=CCN1CC[C@@]2(C[N@@H+]([C@@H]3CCN[C@@H](CCCC)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246704496 1037558205 /nfs/dbraw/zinc/55/82/05/1037558205.db2.gz WAASHXGGNDRSNS-KBOSCXGNSA-N 1 3 395.591 3.801 20 30 GHEDHO C=CCOC(=O)N1CCC2(CC1)CC[NH+](C1C[C@H]3CCC[C@@H](C1)N3C)CC2 ZINC001255674304 1041205666 /nfs/dbraw/zinc/20/56/66/1041205666.db2.gz OFXAZCKQRMOHSZ-YOFSQIOKSA-N 1 3 375.557 3.502 20 30 GHEDHO CN1CCN(Cc2cccc(C[NH2+][C@H]3CCCCc4cc(C#N)ccc43)c2)CC1 ZINC001322475774 1056721827 /nfs/dbraw/zinc/72/18/27/1056721827.db2.gz NCJGQOJAIZSQLT-VWLOTQADSA-N 1 3 388.559 3.863 20 30 GHEDHO CCCCN(C[C@H](O)COc1ccccc1C#N)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001473683254 1074084707 /nfs/dbraw/zinc/08/47/07/1074084707.db2.gz MMFGSJREOGVXFQ-FQEVSTJZSA-N 1 3 387.568 3.709 20 30 GHEDHO [NH2+]=C(NC[C@@H]1SCCc2ccccc21)NC1CCN(Cc2ccccc2)CC1 ZINC000262503106 865505034 /nfs/dbraw/zinc/50/50/34/865505034.db2.gz AKSGSEGYGRBKEW-QFIPXVFZSA-N 1 3 394.588 3.586 20 30 GHEDHO COc1ccc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)cc1C#N ZINC000850402193 876882899 /nfs/dbraw/zinc/88/28/99/876882899.db2.gz GIKCEJMLBYPOLL-JOCHJYFZSA-N 1 3 375.516 3.959 20 30 GHEDHO Cc1ccc(CN2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)cc1C#N ZINC000859362962 883774390 /nfs/dbraw/zinc/77/43/90/883774390.db2.gz CNIUMPDHXNZFFU-QHCPKHFHSA-N 1 3 378.520 3.755 20 30 GHEDHO Cc1ccc(CN2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc1C#N ZINC000859362962 883774399 /nfs/dbraw/zinc/77/43/99/883774399.db2.gz CNIUMPDHXNZFFU-QHCPKHFHSA-N 1 3 378.520 3.755 20 30 GHEDHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC[C@H](O)c2ccc(C#N)cc2)C1 ZINC000818961686 896267009 /nfs/dbraw/zinc/26/70/09/896267009.db2.gz VHJHKIWKTHIEFE-GLDPYIMESA-N 1 3 377.532 3.859 20 30 GHEDHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC[C@H](O)c2ccc(C#N)cc2)C1 ZINC000818961686 896267019 /nfs/dbraw/zinc/26/70/19/896267019.db2.gz VHJHKIWKTHIEFE-GLDPYIMESA-N 1 3 377.532 3.859 20 30 GHEDHO C=CCOc1ccc(CNCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1Cl ZINC001178462352 909064050 /nfs/dbraw/zinc/06/40/50/909064050.db2.gz CCVUMUZJBMSTRA-HXUWFJFHSA-N 1 3 386.923 3.761 20 30 GHEDHO C=CCOc1ccc(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1Cl ZINC001178462352 909064068 /nfs/dbraw/zinc/06/40/68/909064068.db2.gz CCVUMUZJBMSTRA-HXUWFJFHSA-N 1 3 386.923 3.761 20 30 GHEDHO N#CC1(Nc2ncccc2C[NH+]2CCCC2)CCN(Cc2ccccc2)CC1 ZINC001160108853 1034865008 /nfs/dbraw/zinc/86/50/08/1034865008.db2.gz ZGIJQDSWDYYYCY-UHFFFAOYSA-N 1 3 375.520 3.648 20 30 GHEDHO C=CCCCCC[C@H](N)C(=O)N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001160421640 1034968716 /nfs/dbraw/zinc/96/87/16/1034968716.db2.gz COEXUPZQBKEFDP-UDIDDNNKSA-N 1 3 398.595 3.604 20 30 GHEDHO C=CCCCCC[C@H](N)C(=O)N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001160421640 1034968719 /nfs/dbraw/zinc/96/87/19/1034968719.db2.gz COEXUPZQBKEFDP-UDIDDNNKSA-N 1 3 398.595 3.604 20 30 GHEDHO CCCCCCC[C@@H](C)[NH2+][C@H](C(CC)CC)[C@H]1[C@H](N)C[C@H](C(=O)OC)[C@H]1O ZINC001246413418 1037368829 /nfs/dbraw/zinc/36/88/29/1037368829.db2.gz WUMXBYVBYXKEPY-IZXGSOTDSA-N 1 3 384.605 3.627 20 30 GHEDHO CC(C)(C)[NH2+]Cc1ccc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)cc1 ZINC001240368357 1042923578 /nfs/dbraw/zinc/92/35/78/1042923578.db2.gz TXOSAMXQCFGOCX-KRWDZBQOSA-N 1 3 380.492 3.981 20 30 GHEDHO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000183198397 846525603 /nfs/dbraw/zinc/52/56/03/846525603.db2.gz XYBBKPSPBFESEH-SIKLNZKXSA-N 1 3 380.580 3.765 20 30 GHEDHO CC[NH+](CC)CCCN1CCN(C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170388791 881503865 /nfs/dbraw/zinc/50/38/65/881503865.db2.gz FOISABCLHNZIDJ-UHFFFAOYSA-N 1 3 382.596 3.740 20 30 GHEDHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(CC#N)cc3)C2)ccn1 ZINC000856604436 881582373 /nfs/dbraw/zinc/58/23/73/881582373.db2.gz WYSQQZVKBXAKKC-QHCPKHFHSA-N 1 3 378.520 3.641 20 30 GHEDHO CC(C)N(C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(CC#N)cc3)C2)ccn1 ZINC000856604436 881582379 /nfs/dbraw/zinc/58/23/79/881582379.db2.gz WYSQQZVKBXAKKC-QHCPKHFHSA-N 1 3 378.520 3.641 20 30 GHEDHO N#Cc1cccc(CN2CCC([NH2+]C3CCN(C4CCCCC4)CC3)CC2)c1 ZINC000593692077 860883925 /nfs/dbraw/zinc/88/39/25/860883925.db2.gz YNJBZSQPSZDNGH-UHFFFAOYSA-N 1 3 380.580 3.909 20 30 GHEDHO Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000739839039 865815642 /nfs/dbraw/zinc/81/56/42/865815642.db2.gz WGTDUACSZWJWTB-UHFFFAOYSA-N 1 3 392.551 3.671 20 30 GHEDHO C[C@@H]1C[C@@H](C)CN(C(C)(C)C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000538397815 879419971 /nfs/dbraw/zinc/41/99/71/879419971.db2.gz XUVLZBXHXTXDLB-WOJBJXKFSA-N 1 3 382.596 3.869 20 30 GHEDHO N#Cc1ccnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1Cl ZINC001170526636 885515225 /nfs/dbraw/zinc/51/52/25/885515225.db2.gz UHASOMCWDLWXIJ-UHFFFAOYSA-N 1 3 379.895 3.516 20 30 GHEDHO C[C@H](Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C)c1ccccc1C#N ZINC001227164100 1032302115 /nfs/dbraw/zinc/30/21/15/1032302115.db2.gz JAHUAHBWMQYPRI-SFHVURJKSA-N 1 3 394.563 3.883 20 30 GHEDHO N#CC1(c2ccc(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)nc2)CCC1 ZINC001159461697 1034608450 /nfs/dbraw/zinc/60/84/50/1034608450.db2.gz YSYMRIJWJDHDPS-UHFFFAOYSA-N 1 3 399.542 3.936 20 30 GHEDHO C=CCCCCCCCN1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001209442582 1035275019 /nfs/dbraw/zinc/27/50/19/1035275019.db2.gz XUWIRYCSOKKFPG-UHFFFAOYSA-N 1 3 389.588 3.623 20 30 GHEDHO C[C@@H]1C[N@@H+](CC2CCN(Cc3cccc(OCCCC#N)c3)CC2)C[C@H](C)O1 ZINC000092587192 844121330 /nfs/dbraw/zinc/12/13/30/844121330.db2.gz UJCMUSHWVLXXKC-BGYRXZFFSA-N 1 3 385.552 3.690 20 30 GHEDHO C[C@@H]1C[N@H+](CC2CCN(Cc3cccc(OCCCC#N)c3)CC2)C[C@H](C)O1 ZINC000092587192 844121334 /nfs/dbraw/zinc/12/13/34/844121334.db2.gz UJCMUSHWVLXXKC-BGYRXZFFSA-N 1 3 385.552 3.690 20 30 GHEDHO C[C@@H]1CN(CC2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)C[C@H](C)O1 ZINC000092587192 844121338 /nfs/dbraw/zinc/12/13/38/844121338.db2.gz UJCMUSHWVLXXKC-BGYRXZFFSA-N 1 3 385.552 3.690 20 30 GHEDHO C(#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1)CN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661876459 842273552 /nfs/dbraw/zinc/27/35/52/842273552.db2.gz UDWIFJJOGNOQJQ-KIHHCIJBSA-N 1 3 388.596 3.552 20 30 GHEDHO C(#CC[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1)CN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661876459 842273563 /nfs/dbraw/zinc/27/35/63/842273563.db2.gz UDWIFJJOGNOQJQ-KIHHCIJBSA-N 1 3 388.596 3.552 20 30 GHEDHO C(#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1)CN1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661876459 842273573 /nfs/dbraw/zinc/27/35/73/842273573.db2.gz UDWIFJJOGNOQJQ-KIHHCIJBSA-N 1 3 388.596 3.552 20 30 GHEDHO C(#CC[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1)CN1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661876459 842273581 /nfs/dbraw/zinc/27/35/81/842273581.db2.gz UDWIFJJOGNOQJQ-KIHHCIJBSA-N 1 3 388.596 3.552 20 30 GHEDHO CCC[NH+]1CCC(N(C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000109786044 856370597 /nfs/dbraw/zinc/37/05/97/856370597.db2.gz BHDRDUAEJHHNCM-UHFFFAOYSA-N 1 3 388.581 3.633 20 30 GHEDHO CCN(CC)c1ccc(/C=[NH+]\C[C@H]2CN(Cc3ccccc3)CCCO2)c(O)c1 ZINC000760976913 856888693 /nfs/dbraw/zinc/88/86/93/856888693.db2.gz AICLBJYVBTVTND-NAZSJVEXSA-N 1 3 395.547 3.948 20 30 GHEDHO COC1CCN(C2(CNC(=[NH2+])Nc3cccc4c3CCCC4)CCCC2)CC1 ZINC000262503212 865483594 /nfs/dbraw/zinc/48/35/94/865483594.db2.gz AOGHGZYYQMLANK-UHFFFAOYSA-N 1 3 384.568 3.716 20 30 GHEDHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(C#N)(c3ccc(Br)cc3)CC1)C2 ZINC001169143175 871251178 /nfs/dbraw/zinc/25/11/78/871251178.db2.gz YUHMFVRADIOABR-BWTSREIZSA-N 1 3 388.353 3.931 20 30 GHEDHO COc1ccc(CNCc2ccc(OCC[NH+](C)C)cc2)cc1OCCCC#N ZINC000064614124 883753032 /nfs/dbraw/zinc/75/30/32/883753032.db2.gz TULDOOIITBMCPR-UHFFFAOYSA-N 1 3 397.519 3.608 20 30 GHEDHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H]1C ZINC000331377939 898440866 /nfs/dbraw/zinc/44/08/66/898440866.db2.gz FLTOCZFTJYECDC-CVEARBPZSA-N 1 3 388.581 3.632 20 30 GHEDHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H]1C ZINC000331377939 898440876 /nfs/dbraw/zinc/44/08/76/898440876.db2.gz FLTOCZFTJYECDC-CVEARBPZSA-N 1 3 388.581 3.632 20 30 GHEDHO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000799178806 932899301 /nfs/dbraw/zinc/89/93/01/932899301.db2.gz LGDJVBIQKXLIRE-NRFANRHFSA-N 1 3 396.579 3.746 20 30 GHEDHO C=CCN1CCC(NC(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000468025872 1015161999 /nfs/dbraw/zinc/16/19/99/1015161999.db2.gz KWBPSPVGBLUWSY-DENIHFKCSA-N 1 3 386.584 3.702 20 30 GHEDHO C=CCCCCC[C@H](N)C(=O)N[C@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221202108 1032328257 /nfs/dbraw/zinc/32/82/57/1032328257.db2.gz SFVOWRZDCRJFAA-LEWJYISDSA-N 1 3 375.532 3.837 20 30 GHEDHO N=C(Nc1ccc([C@]23CC[NH2+][C@H]2COCC3)cc1)c1ccc(C(F)(F)F)cc1 ZINC001163680099 1026280716 /nfs/dbraw/zinc/28/07/16/1026280716.db2.gz IQQXNXXRBJEEBI-AZUAARDMSA-N 1 3 389.421 3.762 20 30 GHEDHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cccc(C#N)c1)CC2 ZINC001203757545 1027580140 /nfs/dbraw/zinc/58/01/40/1027580140.db2.gz LYZSKCXGMODWHX-HXUWFJFHSA-N 1 3 381.545 3.875 20 30 GHEDHO CC(C)(C)OC(=O)c1ccc(CN2CCC(C[NH+]3CC(CC#N)C3)CC2)cc1 ZINC001208815939 1035037537 /nfs/dbraw/zinc/03/75/37/1035037537.db2.gz RKXNFHACQGDKAY-UHFFFAOYSA-N 1 3 383.536 3.699 20 30 GHEDHO CC(C)(C)OC(=O)c1ccc(C[NH+]2CCC(CN3CC(CC#N)C3)CC2)cc1 ZINC001208815939 1035037546 /nfs/dbraw/zinc/03/75/46/1035037546.db2.gz RKXNFHACQGDKAY-UHFFFAOYSA-N 1 3 383.536 3.699 20 30 GHEDHO N#Cc1ccccc1O[C@@H]1CCC[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208954580 1035128262 /nfs/dbraw/zinc/12/82/62/1035128262.db2.gz WNISHYBBTHSCMK-FYYLOGMGSA-N 1 3 375.516 3.924 20 30 GHEDHO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208954580 1035128268 /nfs/dbraw/zinc/12/82/68/1035128268.db2.gz WNISHYBBTHSCMK-FYYLOGMGSA-N 1 3 375.516 3.924 20 30 GHEDHO C=CCCCCC[C@H](N)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001161575666 1035262237 /nfs/dbraw/zinc/26/22/37/1035262237.db2.gz MIIVPQSBWVFESI-VJBWXMMDSA-N 1 3 383.580 3.821 20 30 GHEDHO C=CCCCCC[C@H](N)C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001161575666 1035262242 /nfs/dbraw/zinc/26/22/42/1035262242.db2.gz MIIVPQSBWVFESI-VJBWXMMDSA-N 1 3 383.580 3.821 20 30 GHEDHO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3CCN[C@H](CCCC)C3)C2)CC1 ZINC001246526770 1037457530 /nfs/dbraw/zinc/45/75/30/1037457530.db2.gz QXGIMMPYRKNDEF-WOJBJXKFSA-N 1 3 377.573 3.798 20 30 GHEDHO C=CCOC(=O)N1CCC2(CCC[N@H+]([C@@H]3CCN[C@H](CCCC)C3)C2)CC1 ZINC001246526770 1037457545 /nfs/dbraw/zinc/45/75/45/1037457545.db2.gz QXGIMMPYRKNDEF-WOJBJXKFSA-N 1 3 377.573 3.798 20 30 GHEDHO C=CCOC(=O)N1CCC2(CCCN([C@@H]3CC[NH2+][C@H](CCCC)C3)C2)CC1 ZINC001246526770 1037457561 /nfs/dbraw/zinc/45/75/61/1037457561.db2.gz QXGIMMPYRKNDEF-WOJBJXKFSA-N 1 3 377.573 3.798 20 30 GHEDHO N#Cc1ccc(C2CC[NH+](CC3(O)CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC001254040914 1039969939 /nfs/dbraw/zinc/96/99/39/1039969939.db2.gz DEBQYMNMBIRRAK-UHFFFAOYSA-N 1 3 389.543 3.765 20 30 GHEDHO N#Cc1ccc(OC2CCN(Cc3ccc4c(c3)CC[NH2+]C4)CC2)cc1Cl ZINC001235970388 1041475652 /nfs/dbraw/zinc/47/56/52/1041475652.db2.gz KULQHUUYWWONQA-UHFFFAOYSA-N 1 3 381.907 3.901 20 30 GHEDHO N#CC1(c2ccccc2)CC(NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC001320869907 1055993767 /nfs/dbraw/zinc/99/37/67/1055993767.db2.gz CQPDFIINCQQDHP-UHFFFAOYSA-N 1 3 375.516 3.875 20 30 GHEDHO CC(C)[N@H+](C)CC1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000728926494 843997506 /nfs/dbraw/zinc/99/75/06/843997506.db2.gz OZSYHJHIEAGAEX-QGZVFWFLSA-N 1 3 384.549 3.525 20 30 GHEDHO CC(C)[N@@H+](C)CC1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000728926494 843997510 /nfs/dbraw/zinc/99/75/10/843997510.db2.gz OZSYHJHIEAGAEX-QGZVFWFLSA-N 1 3 384.549 3.525 20 30 GHEDHO C=CCN(CC=C)C(=O)[C@@H](C)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433124283 845453125 /nfs/dbraw/zinc/45/31/25/845453125.db2.gz AYTFGKVNJGHYGI-OAQYLSRUSA-N 1 3 381.564 3.564 20 30 GHEDHO C=CCOc1c(Br)cc(CN[C@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000414795703 850533596 /nfs/dbraw/zinc/53/35/96/850533596.db2.gz GYWMLASBKSZCNP-HOCLYGCPSA-N 1 3 383.330 3.630 20 30 GHEDHO C[NH+](C)CCOc1ccc(CN2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000611268870 859674831 /nfs/dbraw/zinc/67/48/31/859674831.db2.gz WDPWFNCHMYBHAE-UHFFFAOYSA-N 1 3 379.504 3.542 20 30 GHEDHO CCOCCC[N@@H+]1CC[C@H](/[NH+]=C\c2ccc(N(CC)CC)cc2[O-])[C@H](C)C1 ZINC000734366230 864178561 /nfs/dbraw/zinc/17/85/61/864178561.db2.gz JMFXYIVBYVJVMK-ZRZUITRJSA-N 1 3 375.557 3.794 20 30 GHEDHO CCOCCC[N@H+]1CC[C@H](/[NH+]=C\c2ccc(N(CC)CC)cc2[O-])[C@H](C)C1 ZINC000734366230 864178565 /nfs/dbraw/zinc/17/85/65/864178565.db2.gz JMFXYIVBYVJVMK-ZRZUITRJSA-N 1 3 375.557 3.794 20 30 GHEDHO C=CCN1CCC(NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000171728763 865345753 /nfs/dbraw/zinc/34/57/53/865345753.db2.gz QVTXCHLMBWDPPD-UHFFFAOYSA-N 1 3 384.568 3.512 20 30 GHEDHO C[NH+](C)CCOC1CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000538732195 870464306 /nfs/dbraw/zinc/46/43/06/870464306.db2.gz RMRLCCMTAVKZPQ-UHFFFAOYSA-N 1 3 393.531 3.680 20 30 GHEDHO N#CC1(c2ccc(-n3cc(CCN4CCC([NH3+])CC4)c4ccccc43)nc2)CC1 ZINC001170524256 885439852 /nfs/dbraw/zinc/43/98/52/885439852.db2.gz IMQWNMQCMPUUIK-UHFFFAOYSA-N 1 3 385.515 3.546 20 30 GHEDHO N#Cc1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c2cc[nH]c21 ZINC001170528415 885553550 /nfs/dbraw/zinc/55/35/50/885553550.db2.gz LKCJWDMMTXPWLB-UHFFFAOYSA-N 1 3 383.499 3.949 20 30 GHEDHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(Cl)cc3CC#N)CC2)CC1 ZINC000574767532 901005239 /nfs/dbraw/zinc/00/52/39/901005239.db2.gz DMZRVKWABAZLHO-UHFFFAOYSA-N 1 3 388.943 3.541 20 30 GHEDHO C#Cc1ccc(C[NH+]2CCC3(C[C@H](N(C)Cc4cccs4)CO3)CC2)cc1 ZINC001144568766 902399488 /nfs/dbraw/zinc/39/94/88/902399488.db2.gz DQHJVASJCSAEJS-NRFANRHFSA-N 1 3 380.557 3.985 20 30 GHEDHO C=CCOC1CCC([NH+]2CCC3(CC2)COCCN(Cc2ccncc2)C3)CC1 ZINC001173319890 906388836 /nfs/dbraw/zinc/38/88/36/906388836.db2.gz AAXMDTBGAYISGS-UHFFFAOYSA-N 1 3 399.579 3.510 20 30 GHEDHO C[C@H](NCCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411512690 926469422 /nfs/dbraw/zinc/46/94/22/926469422.db2.gz BNQNGKXZHADUIA-RDJZCZTQSA-N 1 3 388.943 3.783 20 30 GHEDHO C[C@H](NCCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411512690 926469424 /nfs/dbraw/zinc/46/94/24/926469424.db2.gz BNQNGKXZHADUIA-RDJZCZTQSA-N 1 3 388.943 3.783 20 30 GHEDHO CCC[NH+]1CCC(N[C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000924580025 931428532 /nfs/dbraw/zinc/42/85/32/931428532.db2.gz SEOQQRVAPTWIPU-GOSISDBHSA-N 1 3 392.588 3.770 20 30 GHEDHO C[NH+](C)CCOc1ccc(CN2CCC[C@H](Oc3cccc(C#N)c3)C2)cc1 ZINC001138772784 1025343135 /nfs/dbraw/zinc/34/31/35/1025343135.db2.gz BSDGSEUAGNIXSB-QHCPKHFHSA-N 1 3 379.504 3.542 20 30 GHEDHO N=C(Nc1ccc([C@@]23CC[NH2+][C@H]2COCC3)cc1)c1ccc(C(F)(F)F)cc1 ZINC001163680102 1026281196 /nfs/dbraw/zinc/28/11/96/1026281196.db2.gz IQQXNXXRBJEEBI-ICSRJNTNSA-N 1 3 389.421 3.762 20 30 GHEDHO C=CCN1C(=O)CCC[C@]12CCCN([C@@H]1CC[NH2+][C@H](c3ccc(F)cc3C)C1)C2 ZINC001246709168 1037560963 /nfs/dbraw/zinc/56/09/63/1037560963.db2.gz SFMLZNHAEBHTON-JCTONOIOSA-N 1 3 399.554 3.960 20 30 GHEDHO C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255150443 1040867425 /nfs/dbraw/zinc/86/74/25/1040867425.db2.gz UXRFCGLJAWXHCE-YUMYIRISSA-N 1 3 383.536 3.559 20 30 GHEDHO C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255150443 1040867433 /nfs/dbraw/zinc/86/74/33/1040867433.db2.gz UXRFCGLJAWXHCE-YUMYIRISSA-N 1 3 383.536 3.559 20 30 GHEDHO N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@H+](Cc2ccc3n2CCNC3)C1 ZINC001236159690 1041583355 /nfs/dbraw/zinc/58/33/55/1041583355.db2.gz VNXCHMZFKSBAMK-HSZRJFAPSA-N 1 3 396.538 3.923 20 30 GHEDHO N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccc3n2CCNC3)C1 ZINC001236159690 1041583370 /nfs/dbraw/zinc/58/33/70/1041583370.db2.gz VNXCHMZFKSBAMK-HSZRJFAPSA-N 1 3 396.538 3.923 20 30 GHEDHO C=CCC[C@H](C)[N@@H+]1CC[C@@]2(CN(CC3CC3)C[C@H]2COCc2cccnc2)C1 ZINC001258728112 1044734276 /nfs/dbraw/zinc/73/42/76/1044734276.db2.gz LIOZFGBPWQFZAN-NKKJXINNSA-N 1 3 383.580 3.987 20 30 GHEDHO C=CCC[C@H](C)[N@H+]1CC[C@@]2(CN(CC3CC3)C[C@H]2COCc2cccnc2)C1 ZINC001258728112 1044734286 /nfs/dbraw/zinc/73/42/86/1044734286.db2.gz LIOZFGBPWQFZAN-NKKJXINNSA-N 1 3 383.580 3.987 20 30 GHEDHO N#CCOc1ccc(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000248405783 845303648 /nfs/dbraw/zinc/30/36/48/845303648.db2.gz RTKRNFGTXKWVCR-OEMFJLHTSA-N 1 3 375.516 3.979 20 30 GHEDHO N#CCOc1ccc(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000248405783 845303664 /nfs/dbraw/zinc/30/36/64/845303664.db2.gz RTKRNFGTXKWVCR-OEMFJLHTSA-N 1 3 375.516 3.979 20 30 GHEDHO C=CCN1CCC(NC(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000171710835 856238677 /nfs/dbraw/zinc/23/86/77/856238677.db2.gz ABFPUIATRAGDKL-BGYRXZFFSA-N 1 3 398.595 3.614 20 30 GHEDHO C=CCN1CCC(NC(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000171710835 856238687 /nfs/dbraw/zinc/23/86/87/856238687.db2.gz ABFPUIATRAGDKL-BGYRXZFFSA-N 1 3 398.595 3.614 20 30 GHEDHO N#Cc1ccc2ncc(C[NH2+]CC3CCN(Cc4ccccc4Cl)CC3)n2c1 ZINC000123683351 860040025 /nfs/dbraw/zinc/04/00/25/860040025.db2.gz YEGJGFMNDAZLPL-UHFFFAOYSA-N 1 3 393.922 3.861 20 30 GHEDHO C[C@@H]1CN(Cc2ccc(CN(C)CC#Cc3ccc(F)cc3)cc2)C[C@H](C)O1 ZINC001195650474 872558252 /nfs/dbraw/zinc/55/82/52/872558252.db2.gz PBALIMGXBBQQPA-BGYRXZFFSA-N 1 3 380.507 3.918 20 30 GHEDHO C[C@@H]1CN(Cc2ccc(C[N@H+](C)CC#Cc3ccc(F)cc3)cc2)C[C@H](C)O1 ZINC001195650474 872558257 /nfs/dbraw/zinc/55/82/57/872558257.db2.gz PBALIMGXBBQQPA-BGYRXZFFSA-N 1 3 380.507 3.918 20 30 GHEDHO C[C@@H]1CN(Cc2ccc(C[N@@H+](C)CC#Cc3ccc(F)cc3)cc2)C[C@H](C)O1 ZINC001195650474 872558273 /nfs/dbraw/zinc/55/82/73/872558273.db2.gz PBALIMGXBBQQPA-BGYRXZFFSA-N 1 3 380.507 3.918 20 30 GHEDHO C[C@H]1CN(CCC2CC[NH+](CCCOc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000477303578 877403739 /nfs/dbraw/zinc/40/37/39/877403739.db2.gz PLERVQCWNUAJBS-PMACEKPBSA-N 1 3 385.552 3.538 20 30 GHEDHO N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000788180322 877873951 /nfs/dbraw/zinc/87/39/51/877873951.db2.gz OKWNBVBZIQUQKY-CQSZACIVSA-N 1 3 380.275 3.515 20 30 GHEDHO N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000788180321 877874138 /nfs/dbraw/zinc/87/41/38/877874138.db2.gz OKWNBVBZIQUQKY-AWEZNQCLSA-N 1 3 380.275 3.515 20 30 GHEDHO N#CCC1CCC([N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCC3CC3)C2)CC1 ZINC001173334128 906377093 /nfs/dbraw/zinc/37/70/93/906377093.db2.gz VDGDAABZCIJVBP-DZXJHWIPSA-N 1 3 385.596 3.919 20 30 GHEDHO N#CCC1CCC([N@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCC3CC3)C2)CC1 ZINC001173334128 906377107 /nfs/dbraw/zinc/37/71/07/906377107.db2.gz VDGDAABZCIJVBP-DZXJHWIPSA-N 1 3 385.596 3.919 20 30 GHEDHO C#CCOc1ccc([C@@H](C)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000248447753 912108378 /nfs/dbraw/zinc/10/83/78/912108378.db2.gz NPGFXJAYIHHSSJ-XXBNENTESA-N 1 3 378.516 3.506 20 30 GHEDHO C#CCOc1ccc([C@@H](C)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000248447753 912108385 /nfs/dbraw/zinc/10/83/85/912108385.db2.gz NPGFXJAYIHHSSJ-XXBNENTESA-N 1 3 378.516 3.506 20 30 GHEDHO CCC[NH+]1CCC(N[C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000924580029 931428310 /nfs/dbraw/zinc/42/83/10/931428310.db2.gz SEOQQRVAPTWIPU-SFHVURJKSA-N 1 3 392.588 3.770 20 30 GHEDHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000924753395 931524705 /nfs/dbraw/zinc/52/47/05/931524705.db2.gz PFZDPJYKBQRIEL-MOPGFXCFSA-N 1 3 392.588 3.627 20 30 GHEDHO CCC[N@H+]1CC[C@@H](CN[C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000924753395 931524707 /nfs/dbraw/zinc/52/47/07/931524707.db2.gz PFZDPJYKBQRIEL-MOPGFXCFSA-N 1 3 392.588 3.627 20 30 GHEDHO CCCN1CC[C@@H](C[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000924753395 931524712 /nfs/dbraw/zinc/52/47/12/931524712.db2.gz PFZDPJYKBQRIEL-MOPGFXCFSA-N 1 3 392.588 3.627 20 30 GHEDHO C#CCOc1ccc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC001138348778 1024711594 /nfs/dbraw/zinc/71/15/94/1024711594.db2.gz MXIWKZNOBOGXEI-QFIPXVFZSA-N 1 3 378.516 3.661 20 30 GHEDHO C#CCOc1ccc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC001138348778 1024711608 /nfs/dbraw/zinc/71/16/08/1024711608.db2.gz MXIWKZNOBOGXEI-QFIPXVFZSA-N 1 3 378.516 3.661 20 30 GHEDHO CC[NH+](CC)Cc1ccc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)cc1 ZINC001241578204 1035628800 /nfs/dbraw/zinc/62/88/00/1035628800.db2.gz IKMMJZFJSJKQKP-GOSISDBHSA-N 1 3 380.492 3.934 20 30 GHEDHO N#Cc1ccccc1OC1CCN(Cc2cn3c4c2cccc4C[NH2+]CC3)CC1 ZINC001235975953 1041481886 /nfs/dbraw/zinc/48/18/86/1041481886.db2.gz PJOSJTIHCBGEDZ-UHFFFAOYSA-N 1 3 386.499 3.660 20 30 GHEDHO C=CCN1CCC(NC(=O)NC[C@@H](c2ccc(Cl)cc2)[N@@H+](C)CCC)CC1 ZINC000553925686 868484031 /nfs/dbraw/zinc/48/40/31/868484031.db2.gz FUVGNIFTOSEEPY-FQEVSTJZSA-N 1 3 392.975 3.673 20 30 GHEDHO C=CCN1CCC(NC(=O)NC[C@@H](c2ccc(Cl)cc2)[N@H+](C)CCC)CC1 ZINC000553925686 868484037 /nfs/dbraw/zinc/48/40/37/868484037.db2.gz FUVGNIFTOSEEPY-FQEVSTJZSA-N 1 3 392.975 3.673 20 30 GHEDHO C=C(C)CN1CCC(NC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000119568200 886756842 /nfs/dbraw/zinc/75/68/42/886756842.db2.gz RKMWAMLFWZZNGY-HXUWFJFHSA-N 1 3 390.616 3.713 20 30 GHEDHO C=C(C)CN1CCC(NC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000119568200 886756861 /nfs/dbraw/zinc/75/68/61/886756861.db2.gz RKMWAMLFWZZNGY-HXUWFJFHSA-N 1 3 390.616 3.713 20 30 GHEDHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)[C@H](C)C1 ZINC000571846755 899988233 /nfs/dbraw/zinc/98/82/33/899988233.db2.gz GTEXWFAXYMQWCG-BEFAXECRSA-N 1 3 383.458 3.804 20 30 GHEDHO COc1cccc(NC(=[NH2+])NCC2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000304739544 915669188 /nfs/dbraw/zinc/66/91/88/915669188.db2.gz BHWOIOAWTDPNNA-UHFFFAOYSA-N 1 3 386.927 3.987 20 30 GHEDHO C=CCN1C(=O)CCC[C@@]12CCCN(Cc1ccc(OCCC[NH+](C)C)cc1)C2 ZINC001204266153 1032709105 /nfs/dbraw/zinc/70/91/05/1032709105.db2.gz TZEIGMXUVCNCBF-DEOSSOPVSA-N 1 3 399.579 3.550 20 30 GHEDHO CCCC[NH+](CCCC)CCNc1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001156905995 1033311124 /nfs/dbraw/zinc/31/11/24/1033311124.db2.gz ZMTIBNCLNDEVIG-QGZVFWFLSA-N 1 3 389.544 3.740 20 30 GHEDHO N#Cc1cc(Cl)cnc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001159466706 1034607527 /nfs/dbraw/zinc/60/75/27/1034607527.db2.gz KAFBNWKUCJGULH-UHFFFAOYSA-N 1 3 379.895 3.516 20 30 GHEDHO C=CCO[C@@H]1CO[C@]2(C1)CCCN(C[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208935789 1035102234 /nfs/dbraw/zinc/10/22/34/1035102234.db2.gz LQZPGPZRIKEDPD-HJOGWXRNSA-N 1 3 384.564 3.725 20 30 GHEDHO C=CCO[C@@H]1CO[C@]2(C1)CCCN(C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208935789 1035102241 /nfs/dbraw/zinc/10/22/41/1035102241.db2.gz LQZPGPZRIKEDPD-HJOGWXRNSA-N 1 3 384.564 3.725 20 30 GHEDHO N#Cc1ccccc1O[C@H]1CCC[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208954584 1035127717 /nfs/dbraw/zinc/12/77/17/1035127717.db2.gz WNISHYBBTHSCMK-GMAHTHKFSA-N 1 3 375.516 3.924 20 30 GHEDHO N#Cc1ccccc1O[C@H]1CCC[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208954584 1035127723 /nfs/dbraw/zinc/12/77/23/1035127723.db2.gz WNISHYBBTHSCMK-GMAHTHKFSA-N 1 3 375.516 3.924 20 30 GHEDHO N#Cc1ccccc1O[C@H]1CCCN(Cc2cn3c4c2cccc4C[NH2+]CC3)C1 ZINC001235968217 1041474006 /nfs/dbraw/zinc/47/40/06/1041474006.db2.gz GFMFBXHINKEOSS-NRFANRHFSA-N 1 3 386.499 3.660 20 30 GHEDHO C=CCC[C@H](C)[N@@H+]1CC[C@@]2(CN(CC3CC3)C[C@H]2COCc2ccccn2)C1 ZINC001258729000 1044736369 /nfs/dbraw/zinc/73/63/69/1044736369.db2.gz RVXTXJATEAHIOW-ODGPQVTHSA-N 1 3 383.580 3.987 20 30 GHEDHO C=CCC[C@H](C)[N@H+]1CC[C@@]2(CN(CC3CC3)C[C@H]2COCc2ccccn2)C1 ZINC001258729000 1044736380 /nfs/dbraw/zinc/73/63/80/1044736380.db2.gz RVXTXJATEAHIOW-ODGPQVTHSA-N 1 3 383.580 3.987 20 30 GHEDHO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)c(C#N)c1C ZINC000274828207 835668885 /nfs/dbraw/zinc/66/88/85/835668885.db2.gz LJCIGNNMDKOJTD-LDBYXDLTSA-N 1 3 394.519 3.595 20 30 GHEDHO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604193933 843648997 /nfs/dbraw/zinc/64/89/97/843648997.db2.gz KDUGUVCBLRLHEJ-QFIPXVFZSA-N 1 3 384.568 3.553 20 30 GHEDHO N#CCOc1ccc(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000248405787 845303057 /nfs/dbraw/zinc/30/30/57/845303057.db2.gz RTKRNFGTXKWVCR-QPTUXGOLSA-N 1 3 375.516 3.979 20 30 GHEDHO N#CCOc1ccc(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000248405787 845303067 /nfs/dbraw/zinc/30/30/67/845303067.db2.gz RTKRNFGTXKWVCR-QPTUXGOLSA-N 1 3 375.516 3.979 20 30 GHEDHO N#CCCC[C@H](N)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000574570980 858089570 /nfs/dbraw/zinc/08/95/70/858089570.db2.gz ZAQPEMCCRKUVPX-QHCPKHFHSA-N 1 3 390.531 3.587 20 30 GHEDHO N#Cc1ccccc1-c1ccc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000594503101 858194533 /nfs/dbraw/zinc/19/45/33/858194533.db2.gz SMDUTLIWXYFJPW-HSZRJFAPSA-N 1 3 375.516 3.958 20 30 GHEDHO CN(CCC#N)c1ccc(CNC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000030909934 864816693 /nfs/dbraw/zinc/81/66/93/864816693.db2.gz USUNQQJCWXTSFB-UHFFFAOYSA-N 1 3 376.548 3.833 20 30 GHEDHO C[C@@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000539608327 869436281 /nfs/dbraw/zinc/43/62/81/869436281.db2.gz FFLKXOUYSRYOII-HXUWFJFHSA-N 1 3 394.538 3.946 20 30 GHEDHO C#CCCOc1ccc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000790622672 879892601 /nfs/dbraw/zinc/89/26/01/879892601.db2.gz LYMPRQNCHPIIMC-UHFFFAOYSA-N 1 3 378.516 3.852 20 30 GHEDHO C[C@@H](CCCC#N)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001172496347 905597168 /nfs/dbraw/zinc/59/71/68/905597168.db2.gz ZQNVYYLBLSMJMV-NKKJXINNSA-N 1 3 396.579 3.714 20 30 GHEDHO C[C@@H](CCCC#N)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001172496347 905597188 /nfs/dbraw/zinc/59/71/88/905597188.db2.gz ZQNVYYLBLSMJMV-NKKJXINNSA-N 1 3 396.579 3.714 20 30 GHEDHO C[NH+](C)CCOc1ccc(CN2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000092034228 911374910 /nfs/dbraw/zinc/37/49/10/911374910.db2.gz DSIAZTDDRVXBMT-UHFFFAOYSA-N 1 3 379.504 3.542 20 30 GHEDHO CCN1CCN(c2ccc(C[NH+]3CCC(C#N)(c4ccccc4)CC3)cc2)CC1 ZINC001140300056 1021344765 /nfs/dbraw/zinc/34/47/65/1021344765.db2.gz KUPVKOKLVISJSN-UHFFFAOYSA-N 1 3 388.559 3.886 20 30 GHEDHO C=CCN1C(=O)CCC[C@]12CCCN([C@@H]1CC[NH2+][C@@H](c3ccc(F)cc3C)C1)C2 ZINC001246709169 1037562476 /nfs/dbraw/zinc/56/24/76/1037562476.db2.gz SFMLZNHAEBHTON-KIFXHHALSA-N 1 3 399.554 3.960 20 30 GHEDHO COc1ccc(CN([C@@H](C)Cc2ccc(C#N)cc2)C2CC[NH2+]CC2)cc1F ZINC001246963900 1037785994 /nfs/dbraw/zinc/78/59/94/1037785994.db2.gz ZYXFSIACCDOVKA-KRWDZBQOSA-N 1 3 381.495 3.891 20 30 GHEDHO CN(CCC#N)c1ccc(CN2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235375360 1040887236 /nfs/dbraw/zinc/88/72/36/1040887236.db2.gz ZNURZLSCNDLTRS-ILBGXUMGSA-N 1 3 388.559 3.790 20 30 GHEDHO C[NH+](C)Cc1cccc(C(=O)OCC2(C#N)CCN(Cc3ccccc3)CC2)c1 ZINC000847746977 1066024408 /nfs/dbraw/zinc/02/44/08/1066024408.db2.gz URVQHRNWKWJMAR-UHFFFAOYSA-N 1 3 391.515 3.711 20 30 GHEDHO C[C@@H](CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)N(C)Cc1ccccc1 ZINC000180274070 836949085 /nfs/dbraw/zinc/94/90/85/836949085.db2.gz VKBYLCDYWUPUPK-IBGZPJMESA-N 1 3 387.531 3.959 20 30 GHEDHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCC(=O)Nc3cccc(C#N)c3)C2)s1 ZINC000571407477 853871131 /nfs/dbraw/zinc/87/11/31/853871131.db2.gz AKFSYUJMWABUEF-LJQANCHMSA-N 1 3 396.560 3.711 20 30 GHEDHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCC(=O)Nc3cccc(C#N)c3)C2)s1 ZINC000571407477 853871135 /nfs/dbraw/zinc/87/11/35/853871135.db2.gz AKFSYUJMWABUEF-LJQANCHMSA-N 1 3 396.560 3.711 20 30 GHEDHO Cc1cc(C)cc(NC(=[NH2+])NCCCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000303868094 866378687 /nfs/dbraw/zinc/37/86/87/866378687.db2.gz AHSNASBTFUPQQN-UHFFFAOYSA-N 1 3 393.579 3.628 20 30 GHEDHO CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)cc1 ZINC000103174011 871420313 /nfs/dbraw/zinc/42/03/13/871420313.db2.gz VVMUPOVQYHOWLH-HSZRJFAPSA-N 1 3 376.548 3.691 20 30 GHEDHO N#Cc1cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)ncc1Cl ZINC001170526146 885486252 /nfs/dbraw/zinc/48/62/52/885486252.db2.gz VMFOLKIGTIUMBX-UHFFFAOYSA-N 1 3 379.895 3.516 20 30 GHEDHO CCCCCCC[C@@H](CCC)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001172511570 905605872 /nfs/dbraw/zinc/60/58/72/905605872.db2.gz UFAKVHNNNWZOSE-GOSISDBHSA-N 1 3 392.588 3.853 20 30 GHEDHO CC1(C#N)CCC([N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCC3CC3)C2)CC1 ZINC001173595428 906548323 /nfs/dbraw/zinc/54/83/23/906548323.db2.gz OVUIKGCOWAMKTI-FPPAHVCDSA-N 1 3 385.596 3.919 20 30 GHEDHO CC1(C#N)CCC([N@H+]2CC[C@@]3(CN(CC4CC4)C[C@H]3COCC3CC3)C2)CC1 ZINC001173595428 906548337 /nfs/dbraw/zinc/54/83/37/906548337.db2.gz OVUIKGCOWAMKTI-FPPAHVCDSA-N 1 3 385.596 3.919 20 30 GHEDHO [NH2+]=C(NCCCCN1CCN(c2ccccc2)CC1)Nc1ccc2c(c1)CCC2 ZINC000303907770 915306449 /nfs/dbraw/zinc/30/64/49/915306449.db2.gz XARXHMSTPXOZCQ-UHFFFAOYSA-N 1 3 391.563 3.504 20 30 GHEDHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141291342 1024420308 /nfs/dbraw/zinc/42/03/08/1024420308.db2.gz GOZBSBNNPWKGID-BJKOFHAPSA-N 1 3 390.531 3.561 20 30 GHEDHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141291342 1024420319 /nfs/dbraw/zinc/42/03/19/1024420319.db2.gz GOZBSBNNPWKGID-BJKOFHAPSA-N 1 3 390.531 3.561 20 30 GHEDHO COc1cc(CN2CCC(Cc3ccc(C#N)cc3)CC2)cc(C[NH+](C)C)c1O ZINC001139256803 1026106441 /nfs/dbraw/zinc/10/64/41/1026106441.db2.gz LHCSTPLSSSSBFN-UHFFFAOYSA-N 1 3 393.531 3.789 20 30 GHEDHO CN(Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)cc(C#N)c1)CC2 ZINC001139877488 1026693788 /nfs/dbraw/zinc/69/37/88/1026693788.db2.gz LFBWKIMRBGDBKB-FQEVSTJZSA-N 1 3 383.467 3.546 20 30 GHEDHO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(F)cc(CN(C)C)c1)[C@H]2CC ZINC001232149702 1035128000 /nfs/dbraw/zinc/12/80/00/1035128000.db2.gz XXFZLJUHPQFCNL-GMAHTHKFSA-N 1 3 387.543 3.809 20 30 GHEDHO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cc(F)cc(CN(C)C)c1)[C@H]2CC ZINC001232149702 1035128006 /nfs/dbraw/zinc/12/80/06/1035128006.db2.gz XXFZLJUHPQFCNL-GMAHTHKFSA-N 1 3 387.543 3.809 20 30 GHEDHO COC(=O)c1cccc(CN([C@H](C)Cc2ccc(C#N)cc2)C2CC[NH2+]CC2)c1 ZINC001246959903 1037778315 /nfs/dbraw/zinc/77/83/15/1037778315.db2.gz UIMFDUIUJKMWIC-GOSISDBHSA-N 1 3 391.515 3.530 20 30 GHEDHO COC(=O)c1cccc(C[N@H+]([C@H](C)Cc2ccc(C#N)cc2)C2CCNCC2)c1 ZINC001246959903 1037778341 /nfs/dbraw/zinc/77/83/41/1037778341.db2.gz UIMFDUIUJKMWIC-GOSISDBHSA-N 1 3 391.515 3.530 20 30 GHEDHO COC(=O)c1cccc(C[N@@H+]([C@H](C)Cc2ccc(C#N)cc2)C2CCNCC2)c1 ZINC001246959903 1037778361 /nfs/dbraw/zinc/77/83/61/1037778361.db2.gz UIMFDUIUJKMWIC-GOSISDBHSA-N 1 3 391.515 3.530 20 30 GHEDHO C[NH+]1CCC(Oc2ccc(CNC3CC(C#N)(c4ccccc4)C3)cc2)CC1 ZINC001257292791 1043958154 /nfs/dbraw/zinc/95/81/54/1043958154.db2.gz UCVXFLNYTMEAOO-UHFFFAOYSA-N 1 3 375.516 3.873 20 30 GHEDHO COc1cc(C#N)ccc1OCCN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001459665896 1064160085 /nfs/dbraw/zinc/16/00/85/1064160085.db2.gz DHZCDXKCXSHYOE-LJQANCHMSA-N 1 3 385.552 3.922 20 30 GHEDHO COc1cc(C#N)ccc1OCCN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001459665896 1064160088 /nfs/dbraw/zinc/16/00/88/1064160088.db2.gz DHZCDXKCXSHYOE-LJQANCHMSA-N 1 3 385.552 3.922 20 30 GHEDHO CC[NH+](CC)Cc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 ZINC000065930537 836252037 /nfs/dbraw/zinc/25/20/37/836252037.db2.gz KZTZLNPDQQFPOE-UHFFFAOYSA-N 1 3 392.547 3.604 20 30 GHEDHO NC(=O)C1CCN(Cc2cccc(NC(=O)C3CC[NH+](C4CC4)CC3)c2)CC1 ZINC000328702020 854515032 /nfs/dbraw/zinc/51/50/32/854515032.db2.gz NPVQHYZLSHXXAJ-UHFFFAOYSA-N 1 3 384.524 3.896 20 30 GHEDHO C=CCN1CCC(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000171709502 865338639 /nfs/dbraw/zinc/33/86/39/865338639.db2.gz QKNPAHGVFDPCNL-IBGZPJMESA-N 1 3 384.568 3.511 20 30 GHEDHO C=CCN1CCC(NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000171709502 865338656 /nfs/dbraw/zinc/33/86/56/865338656.db2.gz QKNPAHGVFDPCNL-IBGZPJMESA-N 1 3 384.568 3.511 20 30 GHEDHO C[C@H](NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(OCC#N)cc1 ZINC000729685847 888954031 /nfs/dbraw/zinc/95/40/31/888954031.db2.gz KQGNAQHEVZQNNS-IBGZPJMESA-N 1 3 379.504 3.914 20 30 GHEDHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccc(OCC#N)cc3)C[C@@H]21 ZINC001137119616 893573655 /nfs/dbraw/zinc/57/36/55/893573655.db2.gz ZOPDFVOMNOHBGW-NKKJXINNSA-N 1 3 390.531 3.716 20 30 GHEDHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3ccc(OCC#N)cc3)C[C@@H]21 ZINC001137119616 893573675 /nfs/dbraw/zinc/57/36/75/893573675.db2.gz ZOPDFVOMNOHBGW-NKKJXINNSA-N 1 3 390.531 3.716 20 30 GHEDHO C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)C1 ZINC001171628652 904852094 /nfs/dbraw/zinc/85/20/94/904852094.db2.gz FHFFGUDKXMXBQY-JOCHJYFZSA-N 1 3 377.573 3.748 20 30 GHEDHO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](C3CC(C)(C)N(C)C(C)(C)C3)C2)C1 ZINC001171628652 904852111 /nfs/dbraw/zinc/85/21/11/904852111.db2.gz FHFFGUDKXMXBQY-JOCHJYFZSA-N 1 3 377.573 3.748 20 30 GHEDHO CN(CCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F)Cc1ccccc1 ZINC000305245937 916029915 /nfs/dbraw/zinc/02/99/15/916029915.db2.gz SVXQEQWCLBLXSJ-UHFFFAOYSA-N 1 3 380.414 3.834 20 30 GHEDHO CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1O[C@H](C#N)c1cccc(F)c1 ZINC001227166341 1032303154 /nfs/dbraw/zinc/30/31/54/1032303154.db2.gz XLJQDKIVCBVKAT-JOCHJYFZSA-N 1 3 398.526 3.654 20 30 GHEDHO C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001160952071 1035103616 /nfs/dbraw/zinc/10/36/16/1035103616.db2.gz QAQIQJBZVHGWEP-CVDCTZTESA-N 1 3 392.547 3.707 20 30 GHEDHO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3CCN[C@H](C(C)(C)C)C3)C2)CC1 ZINC001246523298 1037454146 /nfs/dbraw/zinc/45/41/46/1037454146.db2.gz AIMSSGXBOJWSCB-OALUTQOASA-N 1 3 377.573 3.654 20 30 GHEDHO C=CCOC(=O)N1CCC2(CCC[N@H+]([C@H]3CCN[C@H](C(C)(C)C)C3)C2)CC1 ZINC001246523298 1037454152 /nfs/dbraw/zinc/45/41/52/1037454152.db2.gz AIMSSGXBOJWSCB-OALUTQOASA-N 1 3 377.573 3.654 20 30 GHEDHO COc1ccccc1CN(Cc1ccc(C#N)c(OC)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236713892 1041849973 /nfs/dbraw/zinc/84/99/73/1041849973.db2.gz ICUMISYBBHZZLZ-MEMLXQNLSA-N 1 3 379.504 3.848 20 30 GHEDHO CC(C)N1CCN(Cc2ccc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)c(F)c2)CC1 ZINC001240361220 1042923222 /nfs/dbraw/zinc/92/32/22/1042923222.db2.gz LTMXGXWLRWEXHW-UHFFFAOYSA-N 1 3 392.522 3.577 20 30 GHEDHO C=CCOC(=O)N1CCCC2(CCN(C3CC[NH+](CC(C)C)CC3)CC2)C1 ZINC001258011370 1044337009 /nfs/dbraw/zinc/33/70/09/1044337009.db2.gz LFEQXPAJWFNMPY-UHFFFAOYSA-N 1 3 377.573 3.607 20 30 GHEDHO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC000604193932 861959192 /nfs/dbraw/zinc/95/91/92/861959192.db2.gz KDUGUVCBLRLHEJ-JOCHJYFZSA-N 1 3 384.568 3.553 20 30 GHEDHO N#CCCC[C@@H](N)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000574570979 858089630 /nfs/dbraw/zinc/08/96/30/858089630.db2.gz ZAQPEMCCRKUVPX-HSZRJFAPSA-N 1 3 390.531 3.587 20 30 GHEDHO C[C@@H]1CCC[C@@H](N2CCC([NH2+]C3CCN(c4ccc(C#N)cn4)CC3)CC2)C1 ZINC000161703119 861178678 /nfs/dbraw/zinc/17/86/78/861178678.db2.gz MTMNCZPTINDVSX-XMSQKQJNSA-N 1 3 381.568 3.555 20 30 GHEDHO C=CCN1CCC(NC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)CC1 ZINC000172264991 865542812 /nfs/dbraw/zinc/54/28/12/865542812.db2.gz RHRSADKDUSFJTF-LJQANCHMSA-N 1 3 384.568 3.600 20 30 GHEDHO [NH2+]=C(NCc1cc(F)c(Cl)cc1F)NC1CCN(Cc2ccccc2)CC1 ZINC000262876164 882269042 /nfs/dbraw/zinc/26/90/42/882269042.db2.gz VLNILUATCUEQPU-UHFFFAOYSA-N 1 3 392.881 3.687 20 30 GHEDHO N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CCCN3C3CCCCC3)CC2)cc1 ZINC000463248390 871264203 /nfs/dbraw/zinc/26/42/03/871264203.db2.gz OXNOEVSSBPQGBO-DEOSSOPVSA-N 1 3 380.580 3.909 20 30 GHEDHO Cc1noc(C)c1CN1CCCC12CC[NH+](Cc1ccc(OCC#N)cc1)CC2 ZINC001137116722 893520723 /nfs/dbraw/zinc/52/07/23/893520723.db2.gz OEDXQRKVGQGXSQ-UHFFFAOYSA-N 1 3 394.519 3.824 20 30 GHEDHO C=CCC[C@@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000878375719 894242245 /nfs/dbraw/zinc/24/22/45/894242245.db2.gz IBZHBQQZKHIDBC-GOSISDBHSA-N 1 3 383.458 3.513 20 30 GHEDHO N#Cc1ccc([C@@H](O)C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000819031897 896360130 /nfs/dbraw/zinc/36/01/30/896360130.db2.gz BMZQHFLUJVVJRE-QFIPXVFZSA-N 1 3 383.923 3.747 20 30 GHEDHO CC(C)N1CCN(c2ccc(NC(=[NH2+])c3ccc4cc(O)ccc4c3)cn2)CC1 ZINC001171184643 902183981 /nfs/dbraw/zinc/18/39/81/902183981.db2.gz OOZRSOFMAGPXIV-UHFFFAOYSA-N 1 3 389.503 3.508 20 30 GHEDHO N#Cc1ccc2c(c1)[C@H]([NH2+]CCCCN1CCN(Cc3ccccc3)CC1)CC2 ZINC000579412474 904577292 /nfs/dbraw/zinc/57/72/92/904577292.db2.gz QCXBFZPHCAFBFS-RUZDIDTESA-N 1 3 388.559 3.733 20 30 GHEDHO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCCN1CCN(Cc3ccccc3)CC1)CC2 ZINC000579412475 904577711 /nfs/dbraw/zinc/57/77/11/904577711.db2.gz QCXBFZPHCAFBFS-VWLOTQADSA-N 1 3 388.559 3.733 20 30 GHEDHO C=C(C)COc1cc(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccc1OC ZINC000180996954 906892505 /nfs/dbraw/zinc/89/25/05/906892505.db2.gz HPOKZQYSBWXIAY-QFIPXVFZSA-N 1 3 396.531 3.507 20 30 GHEDHO C=C(C)COc1cc(CNCc2ccccc2C[N@H+]2CC[C@H](O)C2)ccc1OC ZINC000180996954 906892528 /nfs/dbraw/zinc/89/25/28/906892528.db2.gz HPOKZQYSBWXIAY-QFIPXVFZSA-N 1 3 396.531 3.507 20 30 GHEDHO [NH2+]=C(NCCCN1CCc2ccccc2C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303874946 915234164 /nfs/dbraw/zinc/23/41/64/915234164.db2.gz DIOHHBSZBQVFOR-UHFFFAOYSA-N 1 3 392.425 3.760 20 30 GHEDHO C[C@@H](NCCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411512688 926469726 /nfs/dbraw/zinc/46/97/26/926469726.db2.gz BNQNGKXZHADUIA-NVXWUHKLSA-N 1 3 388.943 3.783 20 30 GHEDHO C[C@@H](NCCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411512688 926469727 /nfs/dbraw/zinc/46/97/27/926469727.db2.gz BNQNGKXZHADUIA-NVXWUHKLSA-N 1 3 388.943 3.783 20 30 GHEDHO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000926754845 1017310570 /nfs/dbraw/zinc/31/05/70/1017310570.db2.gz SGZYRXXLAOUTMA-RTBURBONSA-N 1 3 392.588 3.627 20 30 GHEDHO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)NC[C@H]1CCCC[N@H+](C)C1 ZINC000926754845 1017310581 /nfs/dbraw/zinc/31/05/81/1017310581.db2.gz SGZYRXXLAOUTMA-RTBURBONSA-N 1 3 392.588 3.627 20 30 GHEDHO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000926754845 1017310590 /nfs/dbraw/zinc/31/05/90/1017310590.db2.gz SGZYRXXLAOUTMA-RTBURBONSA-N 1 3 392.588 3.627 20 30 GHEDHO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1cc(F)cc(C#N)c1)CC2 ZINC001139876493 1026692180 /nfs/dbraw/zinc/69/21/80/1026692180.db2.gz ALPMYXBKFASUMO-UHFFFAOYSA-N 1 3 378.495 3.969 20 30 GHEDHO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1cc(F)cc(C#N)c1)CC2 ZINC001139876493 1026692186 /nfs/dbraw/zinc/69/21/86/1026692186.db2.gz ALPMYXBKFASUMO-UHFFFAOYSA-N 1 3 378.495 3.969 20 30 GHEDHO C[NH+](C)CCCC[C@H](N)C(=O)Nc1ccc(Cl)cc1C#C[Si](C)(C)C ZINC001219483545 1031450565 /nfs/dbraw/zinc/45/05/65/1031450565.db2.gz YGRQUQFWJBMKON-KRWDZBQOSA-N 1 3 380.008 3.567 20 30 GHEDHO C=CCO[C@@H]1CO[C@@]2(C1)CCCN(C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208935794 1035102024 /nfs/dbraw/zinc/10/20/24/1035102024.db2.gz LQZPGPZRIKEDPD-TZRRMPRUSA-N 1 3 384.564 3.725 20 30 GHEDHO C=CCO[C@@H]1CO[C@@]2(C1)CCCN(C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208935794 1035102027 /nfs/dbraw/zinc/10/20/27/1035102027.db2.gz LQZPGPZRIKEDPD-TZRRMPRUSA-N 1 3 384.564 3.725 20 30 GHEDHO C=CCN1C(=O)CCC[C@]12CCCN(C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208942403 1035112071 /nfs/dbraw/zinc/11/20/71/1035112071.db2.gz QCHSPKKUTJKEOD-ISKFKSNPSA-N 1 3 381.564 3.542 20 30 GHEDHO C=CCN1C(=O)CCC[C@]12CCCN(C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208942403 1035112073 /nfs/dbraw/zinc/11/20/73/1035112073.db2.gz QCHSPKKUTJKEOD-ISKFKSNPSA-N 1 3 381.564 3.542 20 30 GHEDHO Cc1nc(C2CC[NH2+]CC2)sc1CN1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001235970020 1041475572 /nfs/dbraw/zinc/47/55/72/1041475572.db2.gz XMTJWGZFTLDBOM-FQEVSTJZSA-N 1 3 396.560 3.834 20 30 GHEDHO N#Cc1cc(-c2ccc(CN3CCCCC3)c(F)c2)ccc1N1CC[NH2+]CC1 ZINC001236247916 1041642826 /nfs/dbraw/zinc/64/28/26/1041642826.db2.gz AVZVJQVMOBBPFA-UHFFFAOYSA-N 1 3 378.495 3.760 20 30 GHEDHO CN(C)c1ccc(CN(Cc2ccc(F)cc2)CC2CC[NH2+]CC2)c(F)c1C#N ZINC001236384775 1041692562 /nfs/dbraw/zinc/69/25/62/1041692562.db2.gz CBUBKUYJZJZFBZ-UHFFFAOYSA-N 1 3 398.501 3.904 20 30 GHEDHO Cn1cc(CN2CC[C@H]3C[N@@H+](Cc4cc(Cl)cs4)C[C@H]3CC2)cc1C#N ZINC001279577207 1047846189 /nfs/dbraw/zinc/84/61/89/1047846189.db2.gz IUUXVNSDRQGHQQ-CALCHBBNSA-N 1 3 388.968 3.956 20 30 GHEDHO Cn1cc(CN2CC[C@H]3C[N@H+](Cc4cc(Cl)cs4)C[C@H]3CC2)cc1C#N ZINC001279577207 1047846200 /nfs/dbraw/zinc/84/62/00/1047846200.db2.gz IUUXVNSDRQGHQQ-CALCHBBNSA-N 1 3 388.968 3.956 20 30 GHEDHO C[N@@H+]1CCC[C@H](CNCCC(=O)Nc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC001329140964 1050732094 /nfs/dbraw/zinc/73/20/94/1050732094.db2.gz IRCYNUCAQCDNFZ-DYESRHJHSA-N 1 3 382.533 3.621 20 30 GHEDHO C[N@H+]1CCC[C@H](CNCCC(=O)Nc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC001329140964 1050732108 /nfs/dbraw/zinc/73/21/08/1050732108.db2.gz IRCYNUCAQCDNFZ-DYESRHJHSA-N 1 3 382.533 3.621 20 30 GHEDHO N#Cc1ccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c(C(F)(F)F)c1 ZINC000594967893 858333556 /nfs/dbraw/zinc/33/35/56/858333556.db2.gz AHCGPBRQFLUROX-UHFFFAOYSA-N 1 3 388.437 3.974 20 30 GHEDHO C=C(C)COc1cc(CN2CCC(OCC[NH+]3CCCC3)CC2)ccc1OC ZINC000093735206 872371094 /nfs/dbraw/zinc/37/10/94/872371094.db2.gz DQSUNIBVXRNNCJ-UHFFFAOYSA-N 1 3 388.552 3.727 20 30 GHEDHO C=C(C)CN1CCC(NC(=O)N2CCC(CC[N@@H+](CC)CC3CC3)CC2)CC1 ZINC000537805958 878357203 /nfs/dbraw/zinc/35/72/03/878357203.db2.gz RHVRFBGWBXCIQQ-UHFFFAOYSA-N 1 3 390.616 3.571 20 30 GHEDHO C=C(C)CN1CCC(NC(=O)N2CCC(CC[N@H+](CC)CC3CC3)CC2)CC1 ZINC000537805958 878357217 /nfs/dbraw/zinc/35/72/17/878357217.db2.gz RHVRFBGWBXCIQQ-UHFFFAOYSA-N 1 3 390.616 3.571 20 30 GHEDHO C=CCc1ccccc1OC[C@@H](O)CNC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000567689376 897340075 /nfs/dbraw/zinc/34/00/75/897340075.db2.gz JCPVCAPDUGGHDF-RDPSFJRHSA-N 1 3 394.559 3.970 20 30 GHEDHO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCCCN2CCN(C)CC2)cc1 ZINC000104169874 904546391 /nfs/dbraw/zinc/54/63/91/904546391.db2.gz RRVTZZCBYBNNIW-UHFFFAOYSA-N 1 3 393.579 3.580 20 30 GHEDHO N#Cc1ccc(CN2CCC([NH2+]C3CCN(CC4CCCC4)CC3)CC2)cc1 ZINC000181626176 907041082 /nfs/dbraw/zinc/04/10/82/907041082.db2.gz SYDYPZLTDYCXOY-UHFFFAOYSA-N 1 3 380.580 3.767 20 30 GHEDHO C=CCCCCC[C@H](N)C(=O)N[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH3+] ZINC001220750805 1032100120 /nfs/dbraw/zinc/10/01/20/1032100120.db2.gz FQCNECCXFDZRBJ-JNVBVNAASA-N 1 3 389.543 3.553 20 30 GHEDHO CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1O[C@H](C#N)c1ccccc1F ZINC001227163254 1032301785 /nfs/dbraw/zinc/30/17/85/1032301785.db2.gz CJNJLRDLKCFTOV-JOCHJYFZSA-N 1 3 398.526 3.654 20 30 GHEDHO N#Cc1cc(Nc2ccc(CN3CCCCC3)c(F)c2)ccc1N1CC[NH2+]CC1 ZINC001159748892 1034732481 /nfs/dbraw/zinc/73/24/81/1034732481.db2.gz NOZMVLRHDZXCCE-UHFFFAOYSA-N 1 3 393.510 3.836 20 30 GHEDHO C=CCCCCC[C@H](N)C(=O)N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001160421639 1034968823 /nfs/dbraw/zinc/96/88/23/1034968823.db2.gz COEXUPZQBKEFDP-MALNDZBISA-N 1 3 398.595 3.604 20 30 GHEDHO C=CCCCCC[C@H](N)C(=O)N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001160421639 1034968831 /nfs/dbraw/zinc/96/88/31/1034968831.db2.gz COEXUPZQBKEFDP-MALNDZBISA-N 1 3 398.595 3.604 20 30 GHEDHO C=CCN1C(=O)CCC[C@]12CCCN([C@H]1CC[NH2+][C@@H](c3ccc(F)cc3C)C1)C2 ZINC001246709164 1037562345 /nfs/dbraw/zinc/56/23/45/1037562345.db2.gz SFMLZNHAEBHTON-BGWNEDDSSA-N 1 3 399.554 3.960 20 30 GHEDHO CCCCCCCC[C@@H](O)CN1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001252126874 1038873297 /nfs/dbraw/zinc/87/32/97/1038873297.db2.gz UMDGOOMCAZRUMX-DNVJHFABSA-N 1 3 380.617 3.778 20 30 GHEDHO CCCCCCCC[C@@H](O)CN1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001252126874 1038873319 /nfs/dbraw/zinc/87/33/19/1038873319.db2.gz UMDGOOMCAZRUMX-DNVJHFABSA-N 1 3 380.617 3.778 20 30 GHEDHO CC(C)(C)[C@@]1(CNCCNc2ncccc2C#N)CC[N@H+](Cc2ccccc2)C1 ZINC001462685841 1070469792 /nfs/dbraw/zinc/46/97/92/1070469792.db2.gz JJGVGFIJQSPYSN-XMMPIXPASA-N 1 3 391.563 3.893 20 30 GHEDHO CC(C)(C)[C@@]1(CNCCNc2ncccc2C#N)CC[N@@H+](Cc2ccccc2)C1 ZINC001462685841 1070469798 /nfs/dbraw/zinc/46/97/98/1070469798.db2.gz JJGVGFIJQSPYSN-XMMPIXPASA-N 1 3 391.563 3.893 20 30 GHEDHO Cn1cc(CN2CC[C@H]3C[N@@H+](Cc4sccc4Cl)C[C@H]3CC2)cc1C#N ZINC001279371647 1047784519 /nfs/dbraw/zinc/78/45/19/1047784519.db2.gz HGYBLMUDKRBZLH-CALCHBBNSA-N 1 3 388.968 3.956 20 30 GHEDHO Cn1cc(CN2CC[C@H]3C[N@H+](Cc4sccc4Cl)C[C@H]3CC2)cc1C#N ZINC001279371647 1047784524 /nfs/dbraw/zinc/78/45/24/1047784524.db2.gz HGYBLMUDKRBZLH-CALCHBBNSA-N 1 3 388.968 3.956 20 30 GHEDHO C=CCN1C(=O)CC[C@]12CCC[N@H+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)[C@H]2CC ZINC001167988019 853450285 /nfs/dbraw/zinc/45/02/85/853450285.db2.gz ONVKWQWBNVWJHS-ZJYFRZPCSA-N 1 3 385.596 3.813 20 30 GHEDHO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)N3CC1CC1)[C@H]2CC ZINC001167988019 853450293 /nfs/dbraw/zinc/45/02/93/853450293.db2.gz ONVKWQWBNVWJHS-ZJYFRZPCSA-N 1 3 385.596 3.813 20 30 GHEDHO CC[NH+](CC)Cc1cccc(CN[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000485387483 856427357 /nfs/dbraw/zinc/42/73/57/856427357.db2.gz RWBKAJSMNJEVFW-QHCPKHFHSA-N 1 3 390.531 3.685 20 30 GHEDHO COc1cc(C[NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCC3)ccc1C#N ZINC000594999315 858361756 /nfs/dbraw/zinc/36/17/56/858361756.db2.gz DAMAKVKDFQZSND-JOCHJYFZSA-N 1 3 375.516 3.959 20 30 GHEDHO CCOCCC[N@@H+]1CC[C@H](/[NH+]=C/c2ccc(N(CC)CC)cc2[O-])[C@@H](C)C1 ZINC000734366228 864178910 /nfs/dbraw/zinc/17/89/10/864178910.db2.gz JMFXYIVBYVJVMK-NKDBKUBASA-N 1 3 375.557 3.794 20 30 GHEDHO CCOCCC[N@H+]1CC[C@H](/[NH+]=C/c2ccc(N(CC)CC)cc2[O-])[C@@H](C)C1 ZINC000734366228 864178918 /nfs/dbraw/zinc/17/89/18/864178918.db2.gz JMFXYIVBYVJVMK-NKDBKUBASA-N 1 3 375.557 3.794 20 30 GHEDHO [NH2+]=C(N[C@H]1C[C@H](c2ccccc2F)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000262862805 882264666 /nfs/dbraw/zinc/26/46/66/882264666.db2.gz ZTDIDICVQMBGTP-KESTWPANSA-N 1 3 380.511 3.641 20 30 GHEDHO N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CCCN3C3CCCCC3)CC2)cc1 ZINC000463248391 871264884 /nfs/dbraw/zinc/26/48/84/871264884.db2.gz OXNOEVSSBPQGBO-XMMPIXPASA-N 1 3 380.580 3.909 20 30 GHEDHO [NH2+]=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)NC1CCN(Cc2ccccc2)CC1 ZINC000262685144 876995120 /nfs/dbraw/zinc/99/51/20/876995120.db2.gz ACKGFSSYCVKOOW-XYWHTSSQSA-N 1 3 380.511 3.641 20 30 GHEDHO C#C[C@H](NC(=[NH2+])NC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1F ZINC000262686190 877016210 /nfs/dbraw/zinc/01/62/10/877016210.db2.gz YKQSGUQOTIEAHV-NRFANRHFSA-N 1 3 398.913 3.722 20 30 GHEDHO N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000611622464 892291126 /nfs/dbraw/zinc/29/11/26/892291126.db2.gz JVQHVQDIGBPYPE-UPVQGACJSA-N 1 3 375.516 3.682 20 30 GHEDHO N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000611622464 892291142 /nfs/dbraw/zinc/29/11/42/892291142.db2.gz JVQHVQDIGBPYPE-UPVQGACJSA-N 1 3 375.516 3.682 20 30 GHEDHO CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H]1C ZINC000331377942 898441193 /nfs/dbraw/zinc/44/11/93/898441193.db2.gz FLTOCZFTJYECDC-HZPDHXFCSA-N 1 3 388.581 3.632 20 30 GHEDHO CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H]1C ZINC000331377942 898441201 /nfs/dbraw/zinc/44/12/01/898441201.db2.gz FLTOCZFTJYECDC-HZPDHXFCSA-N 1 3 388.581 3.632 20 30 GHEDHO CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1C ZINC000331377941 898441380 /nfs/dbraw/zinc/44/13/80/898441380.db2.gz FLTOCZFTJYECDC-HOTGVXAUSA-N 1 3 388.581 3.632 20 30 GHEDHO CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1C ZINC000331377941 898441387 /nfs/dbraw/zinc/44/13/87/898441387.db2.gz FLTOCZFTJYECDC-HOTGVXAUSA-N 1 3 388.581 3.632 20 30 GHEDHO CC[NH+]1CCC(N2CCC(C(=O)N[C@H](CCCC#N)c3ccccc3)CC2)CC1 ZINC000570294119 899247517 /nfs/dbraw/zinc/24/75/17/899247517.db2.gz YVOXMRSYPGHUCM-HSZRJFAPSA-N 1 3 396.579 3.734 20 30 GHEDHO C=CCOc1c(Br)cc(CNCc2ccc(C[NH3+])cc2)cc1OC ZINC000570682465 899504581 /nfs/dbraw/zinc/50/45/81/899504581.db2.gz GENLLRVYLYQBGD-UHFFFAOYSA-N 1 3 391.309 3.771 20 30 GHEDHO C[C@@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374319025 927016087 /nfs/dbraw/zinc/01/60/87/927016087.db2.gz UYYRNKITHTXBEJ-CJFMBICVSA-N 1 3 388.559 3.683 20 30 GHEDHO Cc1cccc2nc(Cl)c(C#N)c(N3CCN(CC4CC[NH+](C)CC4)CC3)c12 ZINC001157847825 1033792154 /nfs/dbraw/zinc/79/21/54/1033792154.db2.gz HZWJDBGLBHJOIW-UHFFFAOYSA-N 1 3 397.954 3.532 20 30 GHEDHO C=CCN1CC[C@@]2(C[N@H+](Cc3cc4cnccc4[nH]3)C[C@@H]2c2ccccc2)C1=O ZINC001232013180 1035042701 /nfs/dbraw/zinc/04/27/01/1035042701.db2.gz FHQMXVVZCMXTQW-QPPBQGQZSA-N 1 3 386.499 3.567 20 30 GHEDHO C=CCN1CC[C@@]2(C[N@@H+](Cc3cc4cnccc4[nH]3)C[C@@H]2c2ccccc2)C1=O ZINC001232013180 1035042713 /nfs/dbraw/zinc/04/27/13/1035042713.db2.gz FHQMXVVZCMXTQW-QPPBQGQZSA-N 1 3 386.499 3.567 20 30 GHEDHO C=CCCCCN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1ccccn1 ZINC001209203697 1035207310 /nfs/dbraw/zinc/20/73/10/1035207310.db2.gz UDSOHVVDXMRITI-VWNXMTODSA-N 1 3 383.580 3.988 20 30 GHEDHO C=CCCCCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1ccccn1 ZINC001209203697 1035207315 /nfs/dbraw/zinc/20/73/15/1035207315.db2.gz UDSOHVVDXMRITI-VWNXMTODSA-N 1 3 383.580 3.988 20 30 GHEDHO C=CCOC(=O)N1CCC[C@@]2(CCN([C@@H]3CC[NH2+]C4(CCCCC4)C3)C2)C1 ZINC001246552025 1037478521 /nfs/dbraw/zinc/47/85/21/1037478521.db2.gz UQBGMJXZTBILTE-CTNGQTDRSA-N 1 3 375.557 3.552 20 30 GHEDHO N#Cc1ccc(O[C@@H]2CCC[N@@H+]([C@@H]3CCN[C@@H](Cc4ccccc4)C3)C2)cc1 ZINC001246970970 1037795307 /nfs/dbraw/zinc/79/53/07/1037795307.db2.gz XLKNFZJQYDEVTB-WMTXJRDZSA-N 1 3 375.516 3.765 20 30 GHEDHO N#Cc1ccc(O[C@@H]2CCC[N@H+]([C@@H]3CCN[C@@H](Cc4ccccc4)C3)C2)cc1 ZINC001246970970 1037795324 /nfs/dbraw/zinc/79/53/24/1037795324.db2.gz XLKNFZJQYDEVTB-WMTXJRDZSA-N 1 3 375.516 3.765 20 30 GHEDHO CN1CCC[C@@H]([NH+]2CCC(C#N)(c3ccc(Br)cc3)CC2)CC1 ZINC001254524714 1040298744 /nfs/dbraw/zinc/29/87/44/1040298744.db2.gz YXXPTEOTUBXASL-GOSISDBHSA-N 1 3 376.342 3.791 20 30 GHEDHO C=CC[NH+]1CCC(NCc2ccc(Br)c(Br)c2)CC1 ZINC001473981895 1074225563 /nfs/dbraw/zinc/22/55/63/1074225563.db2.gz SOOGSHGSVOPVRZ-UHFFFAOYSA-N 1 3 388.147 3.952 20 30 GHEDHO C=C(C)CN(CC)C(=O)[C@H](C)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433124412 845453437 /nfs/dbraw/zinc/45/34/37/845453437.db2.gz CDKRBLOTDXEZGC-NRFANRHFSA-N 1 3 383.580 3.788 20 30 GHEDHO C=CCOc1ccc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1Cl ZINC000657593909 848285042 /nfs/dbraw/zinc/28/50/42/848285042.db2.gz CIYATYVCABOCKA-HXUWFJFHSA-N 1 3 386.923 3.761 20 30 GHEDHO C=CCOc1ccc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1Cl ZINC000657593909 848285052 /nfs/dbraw/zinc/28/50/52/848285052.db2.gz CIYATYVCABOCKA-HXUWFJFHSA-N 1 3 386.923 3.761 20 30 GHEDHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(CC#N)cc3Cl)CC2)CC1 ZINC000583153410 849196798 /nfs/dbraw/zinc/19/67/98/849196798.db2.gz KTDAKDPSZFPSKT-UHFFFAOYSA-N 1 3 388.943 3.541 20 30 GHEDHO C=CCN1CCC(NC(=O)N(CC)[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000473961367 854440575 /nfs/dbraw/zinc/44/05/75/854440575.db2.gz WNIPSMUJBSWJKU-SIKLNZKXSA-N 1 3 384.568 3.504 20 30 GHEDHO C=CCN1CCC(NC(=O)N(CC)[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000473961367 854440577 /nfs/dbraw/zinc/44/05/77/854440577.db2.gz WNIPSMUJBSWJKU-SIKLNZKXSA-N 1 3 384.568 3.504 20 30 GHEDHO CC(C)(C#N)c1ccc(C[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC000594506842 858197139 /nfs/dbraw/zinc/19/71/39/858197139.db2.gz FKJVFJDFQKQPGS-UHFFFAOYSA-N 1 3 377.532 3.604 20 30 GHEDHO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856604131 881580733 /nfs/dbraw/zinc/58/07/33/881580733.db2.gz JRMVJBAXZSMTKS-QHCPKHFHSA-N 1 3 378.520 3.755 20 30 GHEDHO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 ZINC000856604131 881580744 /nfs/dbraw/zinc/58/07/44/881580744.db2.gz JRMVJBAXZSMTKS-QHCPKHFHSA-N 1 3 378.520 3.755 20 30 GHEDHO CC1(C#N)CCC([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)CC1 ZINC000449345423 874737495 /nfs/dbraw/zinc/73/74/95/874737495.db2.gz VMSVHQUROKSMEC-DDRJZQQSSA-N 1 3 381.564 3.977 20 30 GHEDHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCC(=O)Nc3ccc(C#N)cc3)C2)s1 ZINC000576788920 902263403 /nfs/dbraw/zinc/26/34/03/902263403.db2.gz CCOQYSWXLOPNCI-LJQANCHMSA-N 1 3 396.560 3.711 20 30 GHEDHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCC(=O)Nc3ccc(C#N)cc3)C2)s1 ZINC000576788920 902263413 /nfs/dbraw/zinc/26/34/13/902263413.db2.gz CCOQYSWXLOPNCI-LJQANCHMSA-N 1 3 396.560 3.711 20 30 GHEDHO C[C@@H](CCCC#N)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1ccccn1 ZINC001172496091 905597847 /nfs/dbraw/zinc/59/78/47/905597847.db2.gz XHGDCGOHNSRCQC-BGWNEDDSSA-N 1 3 396.579 3.714 20 30 GHEDHO C[C@@H](CCCC#N)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1ccccn1 ZINC001172496091 905597856 /nfs/dbraw/zinc/59/78/56/905597856.db2.gz XHGDCGOHNSRCQC-BGWNEDDSSA-N 1 3 396.579 3.714 20 30 GHEDHO C[C@@H](CCCC#N)[N@@H+]1CC[C@@]2(CN(CC3CC3)C[C@@H]2COCc2ccccn2)C1 ZINC001172496091 905597870 /nfs/dbraw/zinc/59/78/70/905597870.db2.gz XHGDCGOHNSRCQC-BGWNEDDSSA-N 1 3 396.579 3.714 20 30 GHEDHO C[C@@H](CCCC#N)[N@H+]1CC[C@@]2(CN(CC3CC3)C[C@@H]2COCc2ccccn2)C1 ZINC001172496091 905597877 /nfs/dbraw/zinc/59/78/77/905597877.db2.gz XHGDCGOHNSRCQC-BGWNEDDSSA-N 1 3 396.579 3.714 20 30 GHEDHO CC1(C#N)CCC([N@@H+]2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCC3CC3)C2)CC1 ZINC001173595424 906549146 /nfs/dbraw/zinc/54/91/46/906549146.db2.gz OVUIKGCOWAMKTI-ABZZFDDBSA-N 1 3 385.596 3.919 20 30 GHEDHO CC1(C#N)CCC([N@H+]2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCC3CC3)C2)CC1 ZINC001173595424 906549153 /nfs/dbraw/zinc/54/91/53/906549153.db2.gz OVUIKGCOWAMKTI-ABZZFDDBSA-N 1 3 385.596 3.919 20 30 GHEDHO C=CCC[C@H](NCC(=O)NC1CC[NH+](CC)CC1)c1ccc(C(F)(F)F)cc1 ZINC000411477186 926433340 /nfs/dbraw/zinc/43/33/40/926433340.db2.gz CPHIPDVREHLWNY-IBGZPJMESA-N 1 3 397.485 3.903 20 30 GHEDHO C#CCOc1ccc(CN2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001138559445 1025022147 /nfs/dbraw/zinc/02/21/47/1025022147.db2.gz VCODACFEQNAKIB-GPUOULLFSA-N 1 3 389.543 3.826 20 30 GHEDHO C#CCOc1ccc(CN2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1 ZINC001138559445 1025022155 /nfs/dbraw/zinc/02/21/55/1025022155.db2.gz VCODACFEQNAKIB-GPUOULLFSA-N 1 3 389.543 3.826 20 30 GHEDHO COc1cc(CN2CCC(c3ccc(C#N)cc3)CC2)cc(C[NH+](C)C)c1O ZINC001139259413 1026109473 /nfs/dbraw/zinc/10/94/73/1026109473.db2.gz VCEBLDHJPVXOIO-UHFFFAOYSA-N 1 3 379.504 3.714 20 30 GHEDHO C=CCO[C@@H]1CO[C@@]2(C1)CCCN(C[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208935790 1035102067 /nfs/dbraw/zinc/10/20/67/1035102067.db2.gz LQZPGPZRIKEDPD-KMDXXIMOSA-N 1 3 384.564 3.725 20 30 GHEDHO C=CCO[C@@H]1CO[C@@]2(C1)CCCN(C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208935790 1035102071 /nfs/dbraw/zinc/10/20/71/1035102071.db2.gz LQZPGPZRIKEDPD-KMDXXIMOSA-N 1 3 384.564 3.725 20 30 GHEDHO CC[NH+](CC)Cc1ccc(-c2nccnc2C(C#N)C(=O)OC(C)(C)C)cc1 ZINC001241578207 1035628932 /nfs/dbraw/zinc/62/89/32/1035628932.db2.gz IKMMJZFJSJKQKP-SFHVURJKSA-N 1 3 380.492 3.934 20 30 GHEDHO CN(CCC#N)c1ccc(CN2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235375377 1040886853 /nfs/dbraw/zinc/88/68/53/1040886853.db2.gz ZNURZLSCNDLTRS-UKILVPOCSA-N 1 3 388.559 3.790 20 30 GHEDHO C[N@@H+]1CCC[C@@H](CNCCC(=O)Nc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC001329140978 1050731739 /nfs/dbraw/zinc/73/17/39/1050731739.db2.gz IRCYNUCAQCDNFZ-UWJYYQICSA-N 1 3 382.533 3.621 20 30 GHEDHO C[N@H+]1CCC[C@@H](CNCCC(=O)Nc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC001329140978 1050731752 /nfs/dbraw/zinc/73/17/52/1050731752.db2.gz IRCYNUCAQCDNFZ-UWJYYQICSA-N 1 3 382.533 3.621 20 30 GHEDHO CN(CC#Cc1cccc(Cl)c1)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000438461447 852439083 /nfs/dbraw/zinc/43/90/83/852439083.db2.gz ZTBLARMSKNNZLJ-UHFFFAOYSA-N 1 3 387.999 3.820 20 30 GHEDHO C=CCN1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1 ZINC000592484781 856893463 /nfs/dbraw/zinc/89/34/63/856893463.db2.gz QEDAXBWMOSGXDZ-LJQANCHMSA-N 1 3 384.568 3.511 20 30 GHEDHO C=CCN1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC1 ZINC000592484781 856893472 /nfs/dbraw/zinc/89/34/72/856893472.db2.gz QEDAXBWMOSGXDZ-LJQANCHMSA-N 1 3 384.568 3.511 20 30 GHEDHO C=CCN1CCC(NC(=O)N(CCC)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000171739912 865350005 /nfs/dbraw/zinc/35/00/05/865350005.db2.gz DZDGCVDQAFHZPB-HSZRJFAPSA-N 1 3 398.595 3.723 20 30 GHEDHO C=CCN1CCC(NC(=O)N(CCC)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000171739912 865350020 /nfs/dbraw/zinc/35/00/20/865350020.db2.gz DZDGCVDQAFHZPB-HSZRJFAPSA-N 1 3 398.595 3.723 20 30 GHEDHO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NCCC(=O)N1Cc3ccccc3C#Cc3ccccc31)C2 ZINC001169114799 871247436 /nfs/dbraw/zinc/24/74/36/871247436.db2.gz YQKQWKLQNHJOFF-JOZNFPNDSA-N 1 3 399.538 3.538 20 30 GHEDHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NCCC(=O)N1Cc3ccccc3C#Cc3ccccc31)C2 ZINC001169114799 871247453 /nfs/dbraw/zinc/24/74/53/871247453.db2.gz YQKQWKLQNHJOFF-JOZNFPNDSA-N 1 3 399.538 3.538 20 30 GHEDHO COc1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c(CC#N)c1 ZINC001170528478 885585448 /nfs/dbraw/zinc/58/54/48/885585448.db2.gz QNAFVMYXPIWHKY-UHFFFAOYSA-N 1 3 388.515 3.671 20 30 GHEDHO N#CCCOc1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)cc1 ZINC001170529322 885612767 /nfs/dbraw/zinc/61/27/67/885612767.db2.gz ZVZDESHWHQAORL-UHFFFAOYSA-N 1 3 388.515 3.889 20 30 GHEDHO CC(C)CN(CC(=O)Nc1ccccc1SCC#N)CC1CC[NH+](C)CC1 ZINC000879702996 895242311 /nfs/dbraw/zinc/24/23/11/895242311.db2.gz BEBZREITUVAXEF-UHFFFAOYSA-N 1 3 388.581 3.541 20 30 GHEDHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000818961691 896266920 /nfs/dbraw/zinc/26/69/20/896266920.db2.gz VHJHKIWKTHIEFE-KHCICDEESA-N 1 3 377.532 3.859 20 30 GHEDHO N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCCC[C@@H]3CCN3CCCC3)CC2)cc1 ZINC001173432278 906468485 /nfs/dbraw/zinc/46/84/85/906468485.db2.gz XCPVDZHUJKVRBQ-JOCHJYFZSA-N 1 3 394.563 3.503 20 30 GHEDHO N#Cc1ccc(C(=O)N2CCC([N@H+]3CCCC[C@@H]3CCN3CCCC3)CC2)cc1 ZINC001173432278 906468493 /nfs/dbraw/zinc/46/84/93/906468493.db2.gz XCPVDZHUJKVRBQ-JOCHJYFZSA-N 1 3 394.563 3.503 20 30 GHEDHO C[C@@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000181677188 907055308 /nfs/dbraw/zinc/05/53/08/907055308.db2.gz NEWMACCUIYBXRW-LJQANCHMSA-N 1 3 393.531 3.899 20 30 GHEDHO C[C@@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000181677188 907055334 /nfs/dbraw/zinc/05/53/34/907055334.db2.gz NEWMACCUIYBXRW-LJQANCHMSA-N 1 3 393.531 3.899 20 30 GHEDHO Cn1cc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000471022829 1016944398 /nfs/dbraw/zinc/94/43/98/1016944398.db2.gz QFVMKGYKVHJTEA-ZRZAMGCNSA-N 1 3 397.526 3.523 20 30 GHEDHO Cn1cc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000471022829 1016944407 /nfs/dbraw/zinc/94/44/07/1016944407.db2.gz QFVMKGYKVHJTEA-ZRZAMGCNSA-N 1 3 397.526 3.523 20 30 GHEDHO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000840873944 1027911273 /nfs/dbraw/zinc/91/12/73/1027911273.db2.gz DYECQNTYJDGBFG-ZFJSRUIDSA-N 1 3 393.531 3.777 20 30 GHEDHO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000840873944 1027911281 /nfs/dbraw/zinc/91/12/81/1027911281.db2.gz DYECQNTYJDGBFG-ZFJSRUIDSA-N 1 3 393.531 3.777 20 30 GHEDHO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3CCN[C@H](C(C)(C)C)C3)C2)CC1 ZINC001246523297 1037454585 /nfs/dbraw/zinc/45/45/85/1037454585.db2.gz AIMSSGXBOJWSCB-MOPGFXCFSA-N 1 3 377.573 3.654 20 30 GHEDHO C=CCOC(=O)N1CCC2(CCC[N@H+]([C@@H]3CCN[C@H](C(C)(C)C)C3)C2)CC1 ZINC001246523297 1037454599 /nfs/dbraw/zinc/45/45/99/1037454599.db2.gz AIMSSGXBOJWSCB-MOPGFXCFSA-N 1 3 377.573 3.654 20 30 GHEDHO C=CCOC(=O)N1CCC[C@@]2(CCN([C@H]3CC[NH2+]C4(CCCCC4)C3)C2)C1 ZINC001246552033 1037476518 /nfs/dbraw/zinc/47/65/18/1037476518.db2.gz UQBGMJXZTBILTE-FPOVZHCZSA-N 1 3 375.557 3.552 20 30 GHEDHO N#Cc1ccccc1OC1CC[NH+]([C@H]2CCN[C@@H](Cc3ccccc3)C2)CC1 ZINC001246852089 1037677556 /nfs/dbraw/zinc/67/75/56/1037677556.db2.gz PAXJASTXXRHDSU-VXKWHMMOSA-N 1 3 375.516 3.765 20 30 GHEDHO C=C1C[C@@H]2CC([NH2+][C@H]3CCc4c(ccc(=O)n4CCN4CCCC4)C3)C[C@H](C1)C2 ZINC001257886529 1044245165 /nfs/dbraw/zinc/24/51/65/1044245165.db2.gz IFCNXNCFDSHNMS-IHASJPSXSA-N 1 3 395.591 3.526 20 30 GHEDHO C[C@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001308487596 1049987467 /nfs/dbraw/zinc/98/74/67/1049987467.db2.gz CWGXVNPZLLJORZ-CVDCTZTESA-N 1 3 399.542 3.816 20 30 GHEDHO C=C(CC[NH+](C)C)C(=O)N(CCN1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001442733858 1058999731 /nfs/dbraw/zinc/99/97/31/1058999731.db2.gz YPBZFELVMABYAH-UHFFFAOYSA-N 1 3 398.378 3.926 20 30 GHEDHO C=CCN(CC=C)C(=O)[C@H](C)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433124282 845452713 /nfs/dbraw/zinc/45/27/13/845452713.db2.gz AYTFGKVNJGHYGI-NRFANRHFSA-N 1 3 381.564 3.564 20 30 GHEDHO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000735491444 864828454 /nfs/dbraw/zinc/82/84/54/864828454.db2.gz HNMYPSHTWVDECD-MHORFTMASA-N 1 3 396.560 3.810 20 30 GHEDHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000735491444 864828470 /nfs/dbraw/zinc/82/84/70/864828470.db2.gz HNMYPSHTWVDECD-MHORFTMASA-N 1 3 396.560 3.810 20 30 GHEDHO CN(CCCC[NH+]1CCCCC1)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000880517562 895738617 /nfs/dbraw/zinc/73/86/17/895738617.db2.gz SKSUDLYRZFPHBQ-KRWDZBQOSA-N 1 3 384.549 3.670 20 30 GHEDHO C#CCOc1ccc(CN2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001138559446 1025021683 /nfs/dbraw/zinc/02/16/83/1025021683.db2.gz VCODACFEQNAKIB-GVXSCFBNSA-N 1 3 389.543 3.826 20 30 GHEDHO C#CCOc1ccc(CN2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001138559446 1025021692 /nfs/dbraw/zinc/02/16/92/1025021692.db2.gz VCODACFEQNAKIB-GVXSCFBNSA-N 1 3 389.543 3.826 20 30 GHEDHO N#Cc1ccc2c(CN3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c[nH]c2c1 ZINC001142929213 1029711020 /nfs/dbraw/zinc/71/10/20/1029711020.db2.gz ZYNDXMBLWNZRBI-UHFFFAOYSA-N 1 3 385.515 3.923 20 30 GHEDHO N#Cc1ccc2c(CN3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c[nH]c2c1 ZINC001142929213 1029711029 /nfs/dbraw/zinc/71/10/29/1029711029.db2.gz ZYNDXMBLWNZRBI-UHFFFAOYSA-N 1 3 385.515 3.923 20 30 GHEDHO C=CCN1C(=O)CCC[C@]12CCCN(C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208942405 1035111239 /nfs/dbraw/zinc/11/12/39/1035111239.db2.gz QCHSPKKUTJKEOD-LADGPHEKSA-N 1 3 381.564 3.542 20 30 GHEDHO C=CCN1C(=O)CCC[C@]12CCCN(C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208942405 1035111241 /nfs/dbraw/zinc/11/12/41/1035111241.db2.gz QCHSPKKUTJKEOD-LADGPHEKSA-N 1 3 381.564 3.542 20 30 GHEDHO C=CCN(CC=C)C(=O)[C@H](C)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535681512 844301005 /nfs/dbraw/zinc/30/10/05/844301005.db2.gz PSHUDRBFGNRXLP-NRFANRHFSA-N 1 3 381.564 3.564 20 30 GHEDHO C=CCN(CC=C)C(=O)[C@H](C)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535681512 844301016 /nfs/dbraw/zinc/30/10/16/844301016.db2.gz PSHUDRBFGNRXLP-NRFANRHFSA-N 1 3 381.564 3.564 20 30 GHEDHO C=C(C)COc1cc(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)ccc1OC ZINC000657594945 848289437 /nfs/dbraw/zinc/28/94/37/848289437.db2.gz LMGUVJSTUXAMAL-JOCHJYFZSA-N 1 3 396.531 3.507 20 30 GHEDHO C=C(C)COc1cc(CNCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)ccc1OC ZINC000657594945 848289451 /nfs/dbraw/zinc/28/94/51/848289451.db2.gz LMGUVJSTUXAMAL-JOCHJYFZSA-N 1 3 396.531 3.507 20 30 GHEDHO C=CCN1CCC(NC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CC1 ZINC000171710829 856239094 /nfs/dbraw/zinc/23/90/94/856239094.db2.gz ZKCOPRWJVSIDMO-WOJBJXKFSA-N 1 3 398.595 3.614 20 30 GHEDHO C=CCN1CCC(NC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)CC1 ZINC000172264986 865542772 /nfs/dbraw/zinc/54/27/72/865542772.db2.gz RHRSADKDUSFJTF-IBGZPJMESA-N 1 3 384.568 3.600 20 30 GHEDHO C[NH+](C)CCCOc1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000179852598 878099584 /nfs/dbraw/zinc/09/95/84/878099584.db2.gz CFDNBTYYVVLZEO-UHFFFAOYSA-N 1 3 392.547 3.965 20 30 GHEDHO Cc1nc(C2CC[NH+]([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)[nH]c1C ZINC000886666408 901215638 /nfs/dbraw/zinc/21/56/38/901215638.db2.gz SFTDXWCPNLPZEV-QGZVFWFLSA-N 1 3 397.498 3.680 20 30 GHEDHO C=CCCCCC[C@H](N)C(=O)N(Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221002709 1032229624 /nfs/dbraw/zinc/22/96/24/1032229624.db2.gz VPTCJNSEHHXNKT-ZJOUEHCJSA-N 1 3 375.532 3.888 20 30 GHEDHO C[C@@H](CC(C)(C)S)Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227163711 1032302009 /nfs/dbraw/zinc/30/20/09/1032302009.db2.gz FXBIXVMFBGHCRG-INIZCTEOSA-N 1 3 381.630 3.737 20 30 GHEDHO C[C@H](CC(C)(C)S)Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227163712 1032302159 /nfs/dbraw/zinc/30/21/59/1032302159.db2.gz FXBIXVMFBGHCRG-MRXNPFEDSA-N 1 3 381.630 3.737 20 30 GHEDHO CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc(C#N)c1)CC2 ZINC001203757540 1027579947 /nfs/dbraw/zinc/57/99/47/1027579947.db2.gz LYZSKCXGMODWHX-FQEVSTJZSA-N 1 3 381.545 3.875 20 30 GHEDHO N#Cc1ccccc1OC1CC[NH+]([C@@H]2CCN[C@@H](Cc3ccccc3)C2)CC1 ZINC001246852087 1037678054 /nfs/dbraw/zinc/67/80/54/1037678054.db2.gz PAXJASTXXRHDSU-FCHUYYIVSA-N 1 3 375.516 3.765 20 30 GHEDHO C=CCOC(=O)N1CCC2(CCCN(C3CC[NH+](C(C)(C)C)CC3)C2)CC1 ZINC001256568883 1043542984 /nfs/dbraw/zinc/54/29/84/1043542984.db2.gz JGAIUXVWYMQCFE-UHFFFAOYSA-N 1 3 377.573 3.750 20 30 GHEDHO C=CCN1C(=O)CCC[C@]12CCCN(C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258142743 1044428961 /nfs/dbraw/zinc/42/89/61/1044428961.db2.gz KIVOBYKQILKDBN-RUZDIDTESA-N 1 3 395.591 3.727 20 30 GHEDHO CC[NH+]1CCC(N2CCC(C(=O)N[C@@H](CCCC#N)c3ccccc3)CC2)CC1 ZINC000570294121 836656052 /nfs/dbraw/zinc/65/60/52/836656052.db2.gz YVOXMRSYPGHUCM-QHCPKHFHSA-N 1 3 396.579 3.734 20 30 GHEDHO CCN(C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000594254835 865615869 /nfs/dbraw/zinc/61/58/69/865615869.db2.gz LCFOVGFEJCNZTH-IBGZPJMESA-N 1 3 396.579 3.664 20 30 GHEDHO CCCCCCCCCN1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001201846012 875900601 /nfs/dbraw/zinc/90/06/01/875900601.db2.gz CLWHARLYOVEWKZ-UHFFFAOYSA-N 1 3 391.604 3.847 20 30 GHEDHO N#Cc1ccc([C@H](O)C[NH2+]CC2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000819031896 896360608 /nfs/dbraw/zinc/36/06/08/896360608.db2.gz BMZQHFLUJVVJRE-JOCHJYFZSA-N 1 3 383.923 3.747 20 30 GHEDHO C#Cc1ccc(C[NH+]2CCC3(C[C@@H](N(C)Cc4cccs4)CO3)CC2)cc1 ZINC001144568767 902398758 /nfs/dbraw/zinc/39/87/58/902398758.db2.gz DQHJVASJCSAEJS-OAQYLSRUSA-N 1 3 380.557 3.985 20 30 GHEDHO N#Cc1ccc(C(=O)N2CCC([NH2+]C3CCN(C4CCCCC4)CC3)CC2)cc1 ZINC001173428589 906465158 /nfs/dbraw/zinc/46/51/58/906465158.db2.gz RSHKWJHZSQSTKT-UHFFFAOYSA-N 1 3 394.563 3.550 20 30 GHEDHO C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1ccc(C#N)cc1F)CC2 ZINC001140136858 1026910154 /nfs/dbraw/zinc/91/01/54/1026910154.db2.gz PVKBYCNVABHNOC-LJQANCHMSA-N 1 3 383.467 3.546 20 30 GHEDHO C[N@@H+](Cc1ccco1)[C@H]1COC2(C1)CCN(Cc1ccc(C#N)cc1F)CC2 ZINC001140136858 1026910157 /nfs/dbraw/zinc/91/01/57/1026910157.db2.gz PVKBYCNVABHNOC-LJQANCHMSA-N 1 3 383.467 3.546 20 30 GHEDHO N#Cc1c2c(cnc1-n1cc(CCN3CCC([NH3+])CC3)c3ccccc31)CCCC2 ZINC001159466115 1034608355 /nfs/dbraw/zinc/60/83/55/1034608355.db2.gz FSLNIQUYVIFJJZ-UHFFFAOYSA-N 1 3 399.542 3.742 20 30 GHEDHO CCCCCCCCCCCCOCCOC[C@@H](O)CNC[C@H]1CC[NH2+]C1 ZINC001245995888 1037117085 /nfs/dbraw/zinc/11/70/85/1037117085.db2.gz ULRUYZNEGGVPIR-VXKWHMMOSA-N 1 3 386.621 3.501 20 30 GHEDHO C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255150440 1040868204 /nfs/dbraw/zinc/86/82/04/1040868204.db2.gz UXRFCGLJAWXHCE-FNAHDJPLSA-N 1 3 383.536 3.559 20 30 GHEDHO C=CCOC(=O)N[C@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255150440 1040868209 /nfs/dbraw/zinc/86/82/09/1040868209.db2.gz UXRFCGLJAWXHCE-FNAHDJPLSA-N 1 3 383.536 3.559 20 30 GHEDHO C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(CN(CC3CC3)C[C@H]2COCc2cccnc2)C1 ZINC001258728111 1044733975 /nfs/dbraw/zinc/73/39/75/1044733975.db2.gz LIOZFGBPWQFZAN-FGCOXFRFSA-N 1 3 383.580 3.987 20 30 GHEDHO C=CCC[C@@H](C)[N@H+]1CC[C@@]2(CN(CC3CC3)C[C@H]2COCc2cccnc2)C1 ZINC001258728111 1044733982 /nfs/dbraw/zinc/73/39/82/1044733982.db2.gz LIOZFGBPWQFZAN-FGCOXFRFSA-N 1 3 383.580 3.987 20 30 GHEDHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC001464978992 1065302644 /nfs/dbraw/zinc/30/26/44/1065302644.db2.gz LOWVGEORXASNFD-SFHVURJKSA-N 1 3 398.576 3.541 20 30 GHEDHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC001464978992 1065302654 /nfs/dbraw/zinc/30/26/54/1065302654.db2.gz LOWVGEORXASNFD-SFHVURJKSA-N 1 3 398.576 3.541 20 30 GHEDHO C=CCOc1c(Br)cc(CN[C@@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000414795701 850533488 /nfs/dbraw/zinc/53/34/88/850533488.db2.gz GYWMLASBKSZCNP-GDBMZVCRSA-N 1 3 383.330 3.630 20 30 GHEDHO C=CCOC(=O)N1CCC[C@]2(CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)C1 ZINC001167983877 852270377 /nfs/dbraw/zinc/27/03/77/852270377.db2.gz KGRNFSMORPHYIG-MXHMCPQYSA-N 1 3 387.568 3.502 20 30 GHEDHO C=CCOC(=O)N1CCC[C@]2(CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)C1 ZINC001167983877 852270387 /nfs/dbraw/zinc/27/03/87/852270387.db2.gz KGRNFSMORPHYIG-MXHMCPQYSA-N 1 3 387.568 3.502 20 30 GHEDHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc2ccc(C#N)cc2c1C ZINC000550386887 854441787 /nfs/dbraw/zinc/44/17/87/854441787.db2.gz OCFDEZBBFNHPKF-GOSISDBHSA-N 1 3 398.576 3.570 20 30 GHEDHO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000591256137 855829044 /nfs/dbraw/zinc/82/90/44/855829044.db2.gz TZTMTMNTRUBOKY-QHCPKHFHSA-N 1 3 375.516 3.552 20 30 GHEDHO N#CCCCOc1cccc(CNCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000105495461 884794444 /nfs/dbraw/zinc/79/44/44/884794444.db2.gz FUOOZPWWXCEDAY-UHFFFAOYSA-N 1 3 393.531 3.616 20 30 GHEDHO CCC1([NH+]2CCCC2)CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000879210134 894907269 /nfs/dbraw/zinc/90/72/69/894907269.db2.gz SZPMCUHBCBVKNB-KRWDZBQOSA-N 1 3 396.560 3.813 20 30 GHEDHO C=CC[C@H](NCc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)c1ccncc1 ZINC001177885717 908784039 /nfs/dbraw/zinc/78/40/39/908784039.db2.gz SHUKSQCKURIPKC-KRWDZBQOSA-N 1 3 375.419 3.872 20 30 GHEDHO Cc1cccc(N2CCN(CCCC[NH2+][C@H](C)c3cc(C#N)ccn3)CC2)c1 ZINC000902736949 922448794 /nfs/dbraw/zinc/44/87/94/922448794.db2.gz YRFSXUWTHAVFSO-HXUWFJFHSA-N 1 3 377.536 3.515 20 30 GHEDHO CN(C)Cc1cc(C[NH+](C)C)cc(CN(C)C)c1O[C@@H](C#N)c1ccccc1 ZINC001227160705 1032300520 /nfs/dbraw/zinc/30/05/20/1032300520.db2.gz LBAIALHJUJOJIO-QFIPXVFZSA-N 1 3 380.536 3.515 20 30 GHEDHO N#Cc1cccc2c(CN3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c[nH]c21 ZINC001139705072 1026549397 /nfs/dbraw/zinc/54/93/97/1026549397.db2.gz LGGFJADBZULLFO-UHFFFAOYSA-N 1 3 385.515 3.923 20 30 GHEDHO N#Cc1cccc2c(CN3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c[nH]c21 ZINC001139705072 1026549402 /nfs/dbraw/zinc/54/94/02/1026549402.db2.gz LGGFJADBZULLFO-UHFFFAOYSA-N 1 3 385.515 3.923 20 30 GHEDHO COc1cc(C#N)ccc1CN1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001231619324 1034775330 /nfs/dbraw/zinc/77/53/30/1034775330.db2.gz VMICBOLSWNPIDR-UHFFFAOYSA-N 1 3 390.531 3.838 20 30 GHEDHO COc1cc(C#N)ccc1CN1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001231619324 1034775347 /nfs/dbraw/zinc/77/53/47/1034775347.db2.gz VMICBOLSWNPIDR-UHFFFAOYSA-N 1 3 390.531 3.838 20 30 GHEDHO CCCCCCCCCCCCOCCOC[C@H](O)CN1CC[C@@H](C[NH3+])C1 ZINC001246048429 1037160069 /nfs/dbraw/zinc/16/00/69/1037160069.db2.gz CMHNTRJYYFDYNW-FCHUYYIVSA-N 1 3 386.621 3.582 20 30 GHEDHO CC[NH+](CC)CC1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000728927932 844098576 /nfs/dbraw/zinc/09/85/76/844098576.db2.gz IFRGJPVKNZEERU-KRWDZBQOSA-N 1 3 384.549 3.526 20 30 GHEDHO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000133174979 903352742 /nfs/dbraw/zinc/35/27/42/903352742.db2.gz YYDMPPFRJIZZGN-QZTJIDSGSA-N 1 3 378.944 3.969 20 30 GHEDHO C[C@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374319027 927015495 /nfs/dbraw/zinc/01/54/95/927015495.db2.gz UYYRNKITHTXBEJ-NBGIEHNGSA-N 1 3 388.559 3.683 20 30 GHEDHO C[NH+](C)CCOc1ccc(CNCc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000562068843 934670706 /nfs/dbraw/zinc/67/07/06/934670706.db2.gz OOPGIUIDGAVHLA-UHFFFAOYSA-N 1 3 377.410 3.807 20 30 GHEDHO C[NH+](C)CCCOc1ccc(CN2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC001204269826 1032712408 /nfs/dbraw/zinc/71/24/08/1032712408.db2.gz KXBQCMGMMQKRQL-UHFFFAOYSA-N 1 3 393.531 3.932 20 30 GHEDHO C[NH+](C)CCOc1ccc(CN2CCC[C@@H](Oc3cccc(C#N)c3)C2)cc1 ZINC001138772783 1025342869 /nfs/dbraw/zinc/34/28/69/1025342869.db2.gz BSDGSEUAGNIXSB-HSZRJFAPSA-N 1 3 379.504 3.542 20 30 GHEDHO Cc1cc(NC2CCN(Cc3ccc(C#N)cc3)CC2)ccc1OCC[NH+](C)C ZINC000839184978 1025696594 /nfs/dbraw/zinc/69/65/94/1025696594.db2.gz QHGYFTQMZUSJHE-UHFFFAOYSA-N 1 3 392.547 3.884 20 30 GHEDHO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1ccc(C#N)c(F)c1)CC2 ZINC001139528745 1026386233 /nfs/dbraw/zinc/38/62/33/1026386233.db2.gz XNLSRLFRONMCGY-UHFFFAOYSA-N 1 3 378.495 3.969 20 30 GHEDHO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(Cc1ccc(C#N)c(F)c1)CC2 ZINC001139528745 1026386236 /nfs/dbraw/zinc/38/62/36/1026386236.db2.gz XNLSRLFRONMCGY-UHFFFAOYSA-N 1 3 378.495 3.969 20 30 GHEDHO C=CCC[C@@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000158070649 835184044 /nfs/dbraw/zinc/18/40/44/835184044.db2.gz GREMJLXWPQGSLZ-JOCHJYFZSA-N 1 3 384.568 3.552 20 30 GHEDHO CC(C)[N@H+](C)CC1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000728926493 843997636 /nfs/dbraw/zinc/99/76/36/843997636.db2.gz OZSYHJHIEAGAEX-KRWDZBQOSA-N 1 3 384.549 3.525 20 30 GHEDHO CC(C)[N@@H+](C)CC1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000728926493 843997650 /nfs/dbraw/zinc/99/76/50/843997650.db2.gz OZSYHJHIEAGAEX-KRWDZBQOSA-N 1 3 384.549 3.525 20 30 GHEDHO CC[NH+](CC)Cc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000044566374 853661321 /nfs/dbraw/zinc/66/13/21/853661321.db2.gz VUNQZNIUZVYGDB-UHFFFAOYSA-N 1 3 392.547 3.604 20 30 GHEDHO COc1cc(C#N)ccc1OCCNC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000184754093 855768505 /nfs/dbraw/zinc/76/85/05/855768505.db2.gz OVGOMPPXMVATJZ-OALUTQOASA-N 1 3 393.531 3.692 20 30 GHEDHO CC[NH+](CC)Cc1cccc(CN[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000485387480 856427682 /nfs/dbraw/zinc/42/76/82/856427682.db2.gz RWBKAJSMNJEVFW-HSZRJFAPSA-N 1 3 390.531 3.685 20 30 GHEDHO C[NH+](C)CCCC1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000766991310 872117873 /nfs/dbraw/zinc/11/78/73/872117873.db2.gz BGXUYCHGYGBFOK-KRWDZBQOSA-N 1 3 384.549 3.526 20 30 GHEDHO C[NH+](C)CCOc1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000537537726 885098647 /nfs/dbraw/zinc/09/86/47/885098647.db2.gz YXDZWRPQMXVMOD-UHFFFAOYSA-N 1 3 378.520 3.575 20 30 GHEDHO C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)N3C)CC2 ZINC001172114042 905362515 /nfs/dbraw/zinc/36/25/15/905362515.db2.gz OFXAZCKQRMOHSZ-ACDBMABISA-N 1 3 375.557 3.502 20 30 GHEDHO C#CCOc1ccc(CN2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001138559447 1025021031 /nfs/dbraw/zinc/02/10/31/1025021031.db2.gz VCODACFEQNAKIB-TUSQITKMSA-N 1 3 389.543 3.826 20 30 GHEDHO C#CCOc1ccc(CN2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1 ZINC001138559447 1025021042 /nfs/dbraw/zinc/02/10/42/1025021042.db2.gz VCODACFEQNAKIB-TUSQITKMSA-N 1 3 389.543 3.826 20 30 GHEDHO C[NH+](C)CCOc1ccc(CN2CCC[C@H](Oc3ccc(C#N)cc3)C2)cc1 ZINC001138773382 1025345152 /nfs/dbraw/zinc/34/51/52/1025345152.db2.gz BVGJOPWWWVJCRA-QHCPKHFHSA-N 1 3 379.504 3.542 20 30 GHEDHO Cc1ccc2nc(N(C3CC[NH2+]CC3)C3CCN(C)CC3)c(C#N)c(Cl)c2c1 ZINC001158590418 1034182048 /nfs/dbraw/zinc/18/20/48/1034182048.db2.gz FPAYNNHWPOLOBQ-UHFFFAOYSA-N 1 3 397.954 3.721 20 30 GHEDHO C=CCCCCC[C@H](N)C(=O)N(Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001161279584 1035200023 /nfs/dbraw/zinc/20/00/23/1035200023.db2.gz JFJKKWNPXIFZJQ-NRFANRHFSA-N 1 3 375.532 3.679 20 30 GHEDHO C=CCCCCC[C@H](N)C(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001161575667 1035261859 /nfs/dbraw/zinc/26/18/59/1035261859.db2.gz MIIVPQSBWVFESI-ZLNRFVROSA-N 1 3 383.580 3.821 20 30 GHEDHO C=CCCCCC[C@H](N)C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001161575667 1035261867 /nfs/dbraw/zinc/26/18/67/1035261867.db2.gz MIIVPQSBWVFESI-ZLNRFVROSA-N 1 3 383.580 3.821 20 30 GHEDHO C=CCCCCC[C@H](N)C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001161575665 1035262461 /nfs/dbraw/zinc/26/24/61/1035262461.db2.gz MIIVPQSBWVFESI-VABKMULXSA-N 1 3 383.580 3.821 20 30 GHEDHO C=CCCCCC[C@H](N)C(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001161575665 1035262467 /nfs/dbraw/zinc/26/24/67/1035262467.db2.gz MIIVPQSBWVFESI-VABKMULXSA-N 1 3 383.580 3.821 20 30 GHEDHO C=CCOC(=O)N1CCCC2(CCN([C@@H]3CC[NH2+][C@H](C(C)(C)C)C3)CC2)C1 ZINC001246527431 1037460025 /nfs/dbraw/zinc/46/00/25/1037460025.db2.gz UMWPWKWDUPRPNN-MOPGFXCFSA-N 1 3 377.573 3.654 20 30 GHEDHO N#Cc1ccccc1OC1CC[NH+]([C@@H]2CCN[C@H](Cc3ccccc3)C2)CC1 ZINC001246852088 1037676290 /nfs/dbraw/zinc/67/62/90/1037676290.db2.gz PAXJASTXXRHDSU-FGZHOGPDSA-N 1 3 375.516 3.765 20 30 GHEDHO CN(CC#Cc1ccc(Cl)cc1)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430928985 843201628 /nfs/dbraw/zinc/20/16/28/843201628.db2.gz VVSMCTCELAXIHN-UHFFFAOYSA-N 1 3 387.999 3.820 20 30 GHEDHO C=CCOC(=O)N1CCC[C@@]2(CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)C2)C1 ZINC001167983875 852269820 /nfs/dbraw/zinc/26/98/20/852269820.db2.gz KGRNFSMORPHYIG-FANLQWHUSA-N 1 3 387.568 3.502 20 30 GHEDHO C=CCOC(=O)N1CCC[C@@]2(CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4CC3CC3)C2)C1 ZINC001167983875 852269831 /nfs/dbraw/zinc/26/98/31/852269831.db2.gz KGRNFSMORPHYIG-FANLQWHUSA-N 1 3 387.568 3.502 20 30 GHEDHO C=CCN1CCC(NC(=O)N(CC)[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000473961366 854440505 /nfs/dbraw/zinc/44/05/05/854440505.db2.gz WNIPSMUJBSWJKU-KNQAVFIVSA-N 1 3 384.568 3.504 20 30 GHEDHO C=CCN1CCC(NC(=O)N(CC)[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000473961366 854440506 /nfs/dbraw/zinc/44/05/06/854440506.db2.gz WNIPSMUJBSWJKU-KNQAVFIVSA-N 1 3 384.568 3.504 20 30 GHEDHO N#CCCCOc1cccc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)c1 ZINC000594968777 858333528 /nfs/dbraw/zinc/33/35/28/858333528.db2.gz KURZPJOYACZMOL-UHFFFAOYSA-N 1 3 378.520 3.766 20 30 GHEDHO N#CCCCOc1cccc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000475353535 864840172 /nfs/dbraw/zinc/84/01/72/864840172.db2.gz QRTHZNRFMWWXEI-ZRZAMGCNSA-N 1 3 375.516 3.933 20 30 GHEDHO N#CCCCOc1cccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)c1 ZINC000475353535 864840179 /nfs/dbraw/zinc/84/01/79/864840179.db2.gz QRTHZNRFMWWXEI-ZRZAMGCNSA-N 1 3 375.516 3.933 20 30 GHEDHO C=C(C)CN(Cc1ccccc1)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000574821378 901019540 /nfs/dbraw/zinc/01/95/40/901019540.db2.gz FVRHEMWVQZSMNX-UHFFFAOYSA-N 1 3 383.580 3.788 20 30 GHEDHO CN1C(C)(C)CC([NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)CC1(C)C ZINC001171641651 904930173 /nfs/dbraw/zinc/93/01/73/904930173.db2.gz SCNJNTDZDIXOHN-UHFFFAOYSA-N 1 3 397.567 3.796 20 30 GHEDHO C[NH+]1C(C)(C)CC(N2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)CC1(C)C ZINC001171641651 904930183 /nfs/dbraw/zinc/93/01/83/904930183.db2.gz SCNJNTDZDIXOHN-UHFFFAOYSA-N 1 3 397.567 3.796 20 30 GHEDHO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C[C@H]1CCCN(Cc3ccccc3)C1)CCO2 ZINC001208937986 1035104856 /nfs/dbraw/zinc/10/48/56/1035104856.db2.gz YWHINDIHAOISOR-CCDWMCETSA-N 1 3 398.591 3.972 20 30 GHEDHO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](C[C@H]1CCCN(Cc3ccccc3)C1)CCO2 ZINC001208937986 1035104861 /nfs/dbraw/zinc/10/48/61/1035104861.db2.gz YWHINDIHAOISOR-CCDWMCETSA-N 1 3 398.591 3.972 20 30 GHEDHO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3CCN[C@@H](C(C)(C)C)C3)C2)CC1 ZINC001246523301 1037454294 /nfs/dbraw/zinc/45/42/94/1037454294.db2.gz AIMSSGXBOJWSCB-RTBURBONSA-N 1 3 377.573 3.654 20 30 GHEDHO C=CCOC(=O)N1CCC2(CCC[N@H+]([C@@H]3CCN[C@@H](C(C)(C)C)C3)C2)CC1 ZINC001246523301 1037454312 /nfs/dbraw/zinc/45/43/12/1037454312.db2.gz AIMSSGXBOJWSCB-RTBURBONSA-N 1 3 377.573 3.654 20 30 GHEDHO CN1CCC[C@H]([NH+]2CCC(C#N)(c3ccc(Br)cc3)CC2)CC1 ZINC001254524716 1040298637 /nfs/dbraw/zinc/29/86/37/1040298637.db2.gz YXXPTEOTUBXASL-SFHVURJKSA-N 1 3 376.342 3.791 20 30 GHEDHO C=CCN1C(=O)CCC[C@@]12CCCN(C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258142749 1044428997 /nfs/dbraw/zinc/42/89/97/1044428997.db2.gz KIVOBYKQILKDBN-VWLOTQADSA-N 1 3 395.591 3.727 20 30 GHEDHO C=CCO[C@H]1CO[C@@]2(C1)CCCN(C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258141942 1044429053 /nfs/dbraw/zinc/42/90/53/1044429053.db2.gz QEHQEUSCYZIXNW-DNQXCXABSA-N 1 3 384.564 3.520 20 30 GHEDHO COCCN1CCC[C@@H]1C[NH+]=C(NCc1ccc(C)cc1)Nc1ccccc1 ZINC000849074993 1057582079 /nfs/dbraw/zinc/58/20/79/1057582079.db2.gz XGRUNKUNJASODZ-JOCHJYFZSA-N 1 3 380.536 3.664 20 30 GHEDHO Cn1cc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180165010 836475723 /nfs/dbraw/zinc/47/57/23/836475723.db2.gz XYBAOWXHIVAINL-QFIPXVFZSA-N 1 3 399.542 3.613 20 30 GHEDHO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC000591256133 855829029 /nfs/dbraw/zinc/82/90/29/855829029.db2.gz TZTMTMNTRUBOKY-HSZRJFAPSA-N 1 3 375.516 3.552 20 30 GHEDHO CCN(CC)c1ccc(/C=[NH+]\C[C@@H]2CN(Cc3ccccc3)CCCO2)c(O)c1 ZINC000760976915 856888864 /nfs/dbraw/zinc/88/88/64/856888864.db2.gz AICLBJYVBTVTND-TXUMJUCDSA-N 1 3 395.547 3.948 20 30 GHEDHO CC[C@@H]([NH2+]Cc1ccc(CN2CCN(CC)CC2)cc1)c1ccc(C#N)cc1 ZINC000447546431 871820175 /nfs/dbraw/zinc/82/01/75/871820175.db2.gz VVHXWESSWXWQEF-XMMPIXPASA-N 1 3 376.548 3.937 20 30 GHEDHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001137119614 893573139 /nfs/dbraw/zinc/57/31/39/893573139.db2.gz ZOPDFVOMNOHBGW-AGILITTLSA-N 1 3 390.531 3.716 20 30 GHEDHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001137119614 893573158 /nfs/dbraw/zinc/57/31/58/893573158.db2.gz ZOPDFVOMNOHBGW-AGILITTLSA-N 1 3 390.531 3.716 20 30 GHEDHO N=C(Nc1ccc([C@@]23CC[NH2+][C@H]2COCC3)cc1)c1ccc2cc(O)ccc2c1 ZINC001171185324 902209821 /nfs/dbraw/zinc/20/98/21/902209821.db2.gz UYKPBQTZRKEQBY-UPVQGACJSA-N 1 3 387.483 3.602 20 30 GHEDHO C=C(Cl)COc1ccc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000133174558 903353236 /nfs/dbraw/zinc/35/32/36/903353236.db2.gz YYDMPPFRJIZZGN-MSOLQXFVSA-N 1 3 378.944 3.969 20 30 GHEDHO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000183198456 907349584 /nfs/dbraw/zinc/34/95/84/907349584.db2.gz XYBBKPSPBFESEH-KNQAVFIVSA-N 1 3 380.580 3.765 20 30 GHEDHO [NH2+]=C(NCCc1cccs1)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000304760119 915699066 /nfs/dbraw/zinc/69/90/66/915699066.db2.gz RXQBDXGIBVWQLH-UHFFFAOYSA-N 1 3 390.984 3.761 20 30 GHEDHO C[C@@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374319028 927016262 /nfs/dbraw/zinc/01/62/62/927016262.db2.gz UYYRNKITHTXBEJ-NLFFAJNJSA-N 1 3 388.559 3.683 20 30 GHEDHO C[NH+](C)CCCOc1ccc(CN2CCC[C@@H](Oc3ccccc3C#N)C2)cc1 ZINC001204270331 1032713903 /nfs/dbraw/zinc/71/39/03/1032713903.db2.gz SRCNNBBSXOGNOS-HSZRJFAPSA-N 1 3 393.531 3.932 20 30 GHEDHO CN(Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(F)c(C#N)c1)CC2 ZINC001205467076 1033425719 /nfs/dbraw/zinc/42/57/19/1033425719.db2.gz HXUSTNATZCLGAD-IBGZPJMESA-N 1 3 383.467 3.546 20 30 GHEDHO O=C(CCN[C@H]1CC[NH2+]C2(CCC2)C1)N1Cc2ccccc2C#Cc2ccccc21 ZINC001246332260 1037299174 /nfs/dbraw/zinc/29/91/74/1037299174.db2.gz GTJDPEZNWWJGJA-QHCPKHFHSA-N 1 3 399.538 3.587 20 30 GHEDHO C=CCOC(=O)N1CCCC2(CCN([C@H]3CC[NH2+][C@@H](CCCC)C3)CC2)C1 ZINC001246527776 1037461353 /nfs/dbraw/zinc/46/13/53/1037461353.db2.gz WMVBCRLOKRBPCK-PMACEKPBSA-N 1 3 377.573 3.798 20 30 GHEDHO C[C@@H](C#N)Oc1ccc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000376729482 838647021 /nfs/dbraw/zinc/64/70/21/838647021.db2.gz QGFLVYDWTYWUQK-SFHVURJKSA-N 1 3 379.504 3.740 20 30 GHEDHO C=CCN1CCC(NC(=O)NC[C@H](c2ccc(CC)cc2)[NH+](CC)CC)CC1 ZINC000431977483 840309008 /nfs/dbraw/zinc/30/90/08/840309008.db2.gz NAMQHTPTSDKXJJ-JOCHJYFZSA-N 1 3 386.584 3.582 20 30 GHEDHO CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCCc4cc(C#N)ccc43)cc2)CC1 ZINC000611390666 859735013 /nfs/dbraw/zinc/73/50/13/859735013.db2.gz NMAFUFBHVASYFO-RUZDIDTESA-N 1 3 388.559 3.863 20 30 GHEDHO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1ccc(/N=C/N(C)C)c(C#N)c1 ZINC001169179981 871303166 /nfs/dbraw/zinc/30/31/66/871303166.db2.gz VOTVBZRYNXYTDU-AFUMVMLFSA-N 1 3 375.476 3.542 20 30 GHEDHO N#Cc1cc2c(cccc2-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)[nH]1 ZINC001170527804 885564219 /nfs/dbraw/zinc/56/42/19/885564219.db2.gz DAIODCMAHWJMGR-UHFFFAOYSA-N 1 3 383.499 3.949 20 30 GHEDHO C[C@@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1cccc(C#N)c1 ZINC000181677325 907055197 /nfs/dbraw/zinc/05/51/97/907055197.db2.gz QKXFVACVLHQHNG-LJQANCHMSA-N 1 3 393.531 3.899 20 30 GHEDHO C[C@@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1cccc(C#N)c1 ZINC000181677325 907055212 /nfs/dbraw/zinc/05/52/12/907055212.db2.gz QKXFVACVLHQHNG-LJQANCHMSA-N 1 3 393.531 3.899 20 30 GHEDHO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000926754841 1017310929 /nfs/dbraw/zinc/31/09/29/1017310929.db2.gz SGZYRXXLAOUTMA-RBUKOAKNSA-N 1 3 392.588 3.627 20 30 GHEDHO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)NC[C@H]1CCCC[N@H+](C)C1 ZINC000926754841 1017310936 /nfs/dbraw/zinc/31/09/36/1017310936.db2.gz SGZYRXXLAOUTMA-RBUKOAKNSA-N 1 3 392.588 3.627 20 30 GHEDHO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000926754841 1017310948 /nfs/dbraw/zinc/31/09/48/1017310948.db2.gz SGZYRXXLAOUTMA-RBUKOAKNSA-N 1 3 392.588 3.627 20 30 GHEDHO C=CCN(CC[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001207204013 1034173097 /nfs/dbraw/zinc/17/30/97/1034173097.db2.gz YSWJHCWMBHXUBK-NRFANRHFSA-N 1 3 387.568 3.863 20 30 GHEDHO C=CCN(CC[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001207204013 1034173107 /nfs/dbraw/zinc/17/31/07/1034173107.db2.gz YSWJHCWMBHXUBK-NRFANRHFSA-N 1 3 387.568 3.863 20 30 GHEDHO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001158739077 1034254331 /nfs/dbraw/zinc/25/43/31/1034254331.db2.gz USYHNDWYGVVDDZ-SJORKVTESA-N 1 3 393.491 3.666 20 30 GHEDHO C=CCCCCN1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1ccccn1 ZINC001209201040 1035206723 /nfs/dbraw/zinc/20/67/23/1035206723.db2.gz UDSOHVVDXMRITI-UPVQGACJSA-N 1 3 383.580 3.988 20 30 GHEDHO C=CCCCCN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1ccccn1 ZINC001209201040 1035206726 /nfs/dbraw/zinc/20/67/26/1035206726.db2.gz UDSOHVVDXMRITI-UPVQGACJSA-N 1 3 383.580 3.988 20 30 GHEDHO C[NH2+]CC[C@@H](C)NC(=N)c1cc2ccc(OC(=O)c3cccs3)cc2s1 ZINC001246296817 1037283287 /nfs/dbraw/zinc/28/32/87/1037283287.db2.gz UGXYKQPRBCTKTQ-GFCCVEGCSA-N 1 3 387.530 3.885 20 30 GHEDHO N#Cc1cccc(O[C@@H]2CCC[N@@H+]([C@@H]3CCN[C@H](Cc4ccccc4)C3)C2)c1 ZINC001246847903 1037673443 /nfs/dbraw/zinc/67/34/43/1037673443.db2.gz YVYYEMOTHMFNRV-CQOQZXRMSA-N 1 3 375.516 3.765 20 30 GHEDHO N#Cc1cccc(O[C@@H]2CCC[N@H+]([C@@H]3CCN[C@H](Cc4ccccc4)C3)C2)c1 ZINC001246847903 1037673460 /nfs/dbraw/zinc/67/34/60/1037673460.db2.gz YVYYEMOTHMFNRV-CQOQZXRMSA-N 1 3 375.516 3.765 20 30 GHEDHO C=CCN1C(=O)CCC12CCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC001255143450 1040855579 /nfs/dbraw/zinc/85/55/79/1040855579.db2.gz WKNDHPACGQIQGK-NUNAXRQHSA-N 1 3 393.575 3.825 20 30 GHEDHO C=CCN1C(=O)CCC12CCN([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)CC2 ZINC001255143450 1040855587 /nfs/dbraw/zinc/85/55/87/1040855587.db2.gz WKNDHPACGQIQGK-NUNAXRQHSA-N 1 3 393.575 3.825 20 30 GHEDHO N#Cc1ccccc1O[C@@H]1CCCN(Cc2cn3c4c2cccc4C[NH2+]CC3)C1 ZINC001235968223 1041473464 /nfs/dbraw/zinc/47/34/64/1041473464.db2.gz GFMFBXHINKEOSS-OAQYLSRUSA-N 1 3 386.499 3.660 20 30 GHEDHO C#CCN(C(=O)NCC(CC)(CC)[NH2+][C@H](C)c1ccccc1)C1CCN(C)CC1 ZINC001477908072 1078622717 /nfs/dbraw/zinc/62/27/17/1078622717.db2.gz WNSMAZOLAQKHKU-HXUWFJFHSA-N 1 3 398.595 3.635 20 30 GHEDHO CC[NH+]1CCC(N2CCCN(Cc3ccc(C#N)cc3C(F)(F)F)CC2)CC1 ZINC000421379276 846190780 /nfs/dbraw/zinc/19/07/80/846190780.db2.gz UGOMFXGERAOYTE-UHFFFAOYSA-N 1 3 394.485 3.569 20 30 GHEDHO [NH2+]=C(NCc1cc2ccccc2s1)NC1CCN(Cc2ccccc2)CC1 ZINC000262002090 850423728 /nfs/dbraw/zinc/42/37/28/850423728.db2.gz QDKCRQLLMHEUEK-UHFFFAOYSA-N 1 3 378.545 3.970 20 30 GHEDHO C=CCN1CCC(NC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000171710840 856239224 /nfs/dbraw/zinc/23/92/24/856239224.db2.gz ABFPUIATRAGDKL-WOJBJXKFSA-N 1 3 398.595 3.614 20 30 GHEDHO C=CCN1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000592484780 856893954 /nfs/dbraw/zinc/89/39/54/856893954.db2.gz QEDAXBWMOSGXDZ-IBGZPJMESA-N 1 3 384.568 3.511 20 30 GHEDHO C=CCN1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000592484780 856894008 /nfs/dbraw/zinc/89/40/08/856894008.db2.gz QEDAXBWMOSGXDZ-IBGZPJMESA-N 1 3 384.568 3.511 20 30 GHEDHO N#C[C@H]1CC[C@H]([NH2+]CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000442705449 858064598 /nfs/dbraw/zinc/06/45/98/858064598.db2.gz BIDXVZDYTYWKEU-HKUYNNGSSA-N 1 3 394.485 3.889 20 30 GHEDHO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000735491446 864828133 /nfs/dbraw/zinc/82/81/33/864828133.db2.gz HNMYPSHTWVDECD-XMTFNYHQSA-N 1 3 396.560 3.810 20 30 GHEDHO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1 ZINC000735491446 864828147 /nfs/dbraw/zinc/82/81/47/864828147.db2.gz HNMYPSHTWVDECD-XMTFNYHQSA-N 1 3 396.560 3.810 20 30 GHEDHO C=C(C)CN1CCC(NC(=O)N2CCC(CC[N@@H+](CC)CC(C)C)CC2)CC1 ZINC000538070362 878796362 /nfs/dbraw/zinc/79/63/62/878796362.db2.gz IIWFOBIBQXVMJN-UHFFFAOYSA-N 1 3 392.632 3.817 20 30 GHEDHO C=C(C)CN1CCC(NC(=O)N2CCC(CC[N@H+](CC)CC(C)C)CC2)CC1 ZINC000538070362 878796376 /nfs/dbraw/zinc/79/63/76/878796376.db2.gz IIWFOBIBQXVMJN-UHFFFAOYSA-N 1 3 392.632 3.817 20 30 GHEDHO CCCCCCCCCN(C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000747990453 893370489 /nfs/dbraw/zinc/37/04/89/893370489.db2.gz MAUHVFQSVJCEST-UHFFFAOYSA-N 1 3 380.621 3.937 20 30 GHEDHO C[NH+](C)CCOc1ccc(CN2CCC[C@@H](Oc3ccc(C#N)cc3)C2)cc1 ZINC001138773381 1025345452 /nfs/dbraw/zinc/34/54/52/1025345452.db2.gz BVGJOPWWWVJCRA-HSZRJFAPSA-N 1 3 379.504 3.542 20 30 GHEDHO N#Cc1ccnc(-c2ccc(C[N@@H+]3C[C@@H](c4ccccc4)C4(CNC4)C3)cc2)c1 ZINC001222602578 1030228120 /nfs/dbraw/zinc/22/81/20/1030228120.db2.gz UGUPVPCSLDHTOR-QHCPKHFHSA-N 1 3 380.495 3.809 20 30 GHEDHO N#Cc1ccnc(-c2ccc(C[N@H+]3C[C@@H](c4ccccc4)C4(CNC4)C3)cc2)c1 ZINC001222602578 1030228139 /nfs/dbraw/zinc/22/81/39/1030228139.db2.gz UGUPVPCSLDHTOR-QHCPKHFHSA-N 1 3 380.495 3.809 20 30 GHEDHO CC(C)c1ccc(C#N)c(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001159460273 1034606271 /nfs/dbraw/zinc/60/62/71/1034606271.db2.gz QPWAMRKFYVICKR-UHFFFAOYSA-N 1 3 387.531 3.986 20 30 GHEDHO C=CCO[C@@H]1CO[C@]2(C1)CCCN(C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258141945 1044429135 /nfs/dbraw/zinc/42/91/35/1044429135.db2.gz QEHQEUSCYZIXNW-ZEQRLZLVSA-N 1 3 384.564 3.520 20 30 GHEDHO C(#CC[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1)CN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661876460 842274196 /nfs/dbraw/zinc/27/41/96/842274196.db2.gz UDWIFJJOGNOQJQ-NEWJYFPISA-N 1 3 388.596 3.552 20 30 GHEDHO C(#CC[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1)CN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661876460 842274204 /nfs/dbraw/zinc/27/42/04/842274204.db2.gz UDWIFJJOGNOQJQ-NEWJYFPISA-N 1 3 388.596 3.552 20 30 GHEDHO C(#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1)CN1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661876460 842274211 /nfs/dbraw/zinc/27/42/11/842274211.db2.gz UDWIFJJOGNOQJQ-NEWJYFPISA-N 1 3 388.596 3.552 20 30 GHEDHO C(#CC[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1)CN1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661876460 842274219 /nfs/dbraw/zinc/27/42/19/842274219.db2.gz UDWIFJJOGNOQJQ-NEWJYFPISA-N 1 3 388.596 3.552 20 30 GHEDHO C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433124413 845452928 /nfs/dbraw/zinc/45/29/28/845452928.db2.gz CDKRBLOTDXEZGC-OAQYLSRUSA-N 1 3 383.580 3.788 20 30 GHEDHO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000183198436 846525245 /nfs/dbraw/zinc/52/52/45/846525245.db2.gz XYBBKPSPBFESEH-UGKGYDQZSA-N 1 3 380.580 3.765 20 30 GHEDHO C=CCc1cc(C[NH2+]CC2CCN(Cc3ccncc3)CC2)cc(OC)c1O ZINC000657612786 848328627 /nfs/dbraw/zinc/32/86/27/848328627.db2.gz RSRFOCAJLBZIPX-UHFFFAOYSA-N 1 3 381.520 3.526 20 30 GHEDHO CN(C)C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(Cl)cc1 ZINC000330425513 854670078 /nfs/dbraw/zinc/67/00/78/854670078.db2.gz GGGUMLIBKWDDSP-QGZVFWFLSA-N 1 3 380.964 3.756 20 30 GHEDHO C=CCN1CCC(NC(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000171710823 856239141 /nfs/dbraw/zinc/23/91/41/856239141.db2.gz ZKCOPRWJVSIDMO-BGYRXZFFSA-N 1 3 398.595 3.614 20 30 GHEDHO C=CCN1CCC(NC(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000171710823 856239152 /nfs/dbraw/zinc/23/91/52/856239152.db2.gz ZKCOPRWJVSIDMO-BGYRXZFFSA-N 1 3 398.595 3.614 20 30 GHEDHO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000443028999 858320220 /nfs/dbraw/zinc/32/02/20/858320220.db2.gz GCKBPHRBMSAXPC-UHFFFAOYSA-N 1 3 393.579 3.579 20 30 GHEDHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(CC#N)cc3)C2)ccn1 ZINC000856604435 881581795 /nfs/dbraw/zinc/58/17/95/881581795.db2.gz WYSQQZVKBXAKKC-HSZRJFAPSA-N 1 3 378.520 3.641 20 30 GHEDHO CC(C)N(C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(CC#N)cc3)C2)ccn1 ZINC000856604435 881581807 /nfs/dbraw/zinc/58/18/07/881581807.db2.gz WYSQQZVKBXAKKC-HSZRJFAPSA-N 1 3 378.520 3.641 20 30 GHEDHO N#Cc1ccc(Cl)c(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170530751 885675115 /nfs/dbraw/zinc/67/51/15/885675115.db2.gz CSDKCCZFKSLQGL-UHFFFAOYSA-N 1 3 379.895 3.516 20 30 GHEDHO C/C(=N\O)c1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)cc1 ZINC001170531881 885702793 /nfs/dbraw/zinc/70/27/93/885702793.db2.gz UUULBRIBKIKJSI-KOEQRZSOSA-N 1 3 376.504 3.794 20 30 GHEDHO CO[C@@H]1CC[N@@H+](Cc2cc(C#N)cc(CN3CC[C@H](OC)C[C@@H]3C)c2)[C@@H](C)C1 ZINC000878554922 894379653 /nfs/dbraw/zinc/37/96/53/894379653.db2.gz MQDSYNZLIQMJDB-HTUUBCJYSA-N 1 3 385.552 3.557 20 30 GHEDHO CO[C@@H]1CC[N@H+](Cc2cc(C#N)cc(CN3CC[C@H](OC)C[C@@H]3C)c2)[C@@H](C)C1 ZINC000878554922 894379664 /nfs/dbraw/zinc/37/96/64/894379664.db2.gz MQDSYNZLIQMJDB-HTUUBCJYSA-N 1 3 385.552 3.557 20 30 GHEDHO CO[C@@H]1CCN(Cc2cc(C#N)cc(C[N@@H+]3CC[C@H](OC)C[C@@H]3C)c2)[C@@H](C)C1 ZINC000878554922 894379680 /nfs/dbraw/zinc/37/96/80/894379680.db2.gz MQDSYNZLIQMJDB-HTUUBCJYSA-N 1 3 385.552 3.557 20 30 GHEDHO CO[C@@H]1CCN(Cc2cc(C#N)cc(C[N@H+]3CC[C@H](OC)C[C@@H]3C)c2)[C@@H](C)C1 ZINC000878554922 894379693 /nfs/dbraw/zinc/37/96/93/894379693.db2.gz MQDSYNZLIQMJDB-HTUUBCJYSA-N 1 3 385.552 3.557 20 30 GHEDHO COc1cccc(C[NH+]2CCC3(CCN(Cc4cncc(C#N)c4)CC3)CC2)c1 ZINC001144075967 901040903 /nfs/dbraw/zinc/04/09/03/901040903.db2.gz XPHYIWBEKURZOE-UHFFFAOYSA-N 1 3 390.531 3.840 20 30 GHEDHO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000926754838 932292302 /nfs/dbraw/zinc/29/23/02/932292302.db2.gz SGZYRXXLAOUTMA-OALUTQOASA-N 1 3 392.588 3.627 20 30 GHEDHO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000926754838 932292310 /nfs/dbraw/zinc/29/23/10/932292310.db2.gz SGZYRXXLAOUTMA-OALUTQOASA-N 1 3 392.588 3.627 20 30 GHEDHO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000926754838 932292318 /nfs/dbraw/zinc/29/23/18/932292318.db2.gz SGZYRXXLAOUTMA-OALUTQOASA-N 1 3 392.588 3.627 20 30 GHEDHO COc1cc(CN2CCC(c3cccc(C#N)c3)CC2)cc(C[NH+](C)C)c1O ZINC001139257609 1026108619 /nfs/dbraw/zinc/10/86/19/1026108619.db2.gz ZECHZSBLXFCJKH-UHFFFAOYSA-N 1 3 379.504 3.714 20 30 GHEDHO [NH2+]=C(Nc1cccc2cc([C@@H]3CNCCO3)cn21)c1ccc(C(F)(F)F)cc1 ZINC001163683826 1026282004 /nfs/dbraw/zinc/28/20/04/1026282004.db2.gz KNKOWYDZCWPVPQ-KRWDZBQOSA-N 1 3 388.393 3.656 20 30 GHEDHO C=CCn1cc(CN2CCC3(CC2)CC[NH+](Cc2cccc(OC)c2)CC3)cn1 ZINC001139769407 1026604399 /nfs/dbraw/zinc/60/43/99/1026604399.db2.gz CGRSINCKOUPODI-UHFFFAOYSA-N 1 3 394.563 3.956 20 30 GHEDHO C=CCOc1ccc(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000849051209 1057561718 /nfs/dbraw/zinc/56/17/18/1057561718.db2.gz AZBICTNYZNOYBS-UHFFFAOYSA-N 1 3 378.520 3.530 20 30 GHEDHO Cn1cc(CNC2CC[NH+](Cc3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180026493 836767502 /nfs/dbraw/zinc/76/75/02/836767502.db2.gz HUIDUQDENGBJPM-UHFFFAOYSA-N 1 3 385.515 3.713 20 30 GHEDHO CN(CC#Cc1ccccc1Cl)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000441157372 853955395 /nfs/dbraw/zinc/95/53/95/853955395.db2.gz UBLJUJRJKGSCHS-UHFFFAOYSA-N 1 3 387.999 3.820 20 30 GHEDHO COc1cc(C[NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCC3)ccc1C#N ZINC000594999321 858362045 /nfs/dbraw/zinc/36/20/45/858362045.db2.gz DAMAKVKDFQZSND-QFIPXVFZSA-N 1 3 375.516 3.959 20 30 GHEDHO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NCCC(=O)N1Cc3ccccc3C#Cc3ccccc31)C2 ZINC001169114798 871247938 /nfs/dbraw/zinc/24/79/38/871247938.db2.gz YQKQWKLQNHJOFF-BKFWDETESA-N 1 3 399.538 3.538 20 30 GHEDHO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NCCC(=O)N1Cc3ccccc3C#Cc3ccccc31)C2 ZINC001169114798 871247957 /nfs/dbraw/zinc/24/79/57/871247957.db2.gz YQKQWKLQNHJOFF-BKFWDETESA-N 1 3 399.538 3.538 20 30 GHEDHO C=CCc1ccccc1OC[C@H](O)CNC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000567689374 897339751 /nfs/dbraw/zinc/33/97/51/897339751.db2.gz JCPVCAPDUGGHDF-GBXCKJPGSA-N 1 3 394.559 3.970 20 30 GHEDHO C[C@H]1CN(Cc2ccc(-c3ccccc3C#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374319026 927015877 /nfs/dbraw/zinc/01/58/77/927015877.db2.gz UYYRNKITHTXBEJ-CPJSRVTESA-N 1 3 388.559 3.683 20 30 GHEDHO CCC[N@@H+]1CC[C@H](CN[C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000924753404 931525354 /nfs/dbraw/zinc/52/53/54/931525354.db2.gz PFZDPJYKBQRIEL-RTBURBONSA-N 1 3 392.588 3.627 20 30 GHEDHO CCC[N@H+]1CC[C@H](CN[C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000924753404 931525359 /nfs/dbraw/zinc/52/53/59/931525359.db2.gz PFZDPJYKBQRIEL-RTBURBONSA-N 1 3 392.588 3.627 20 30 GHEDHO CCCN1CC[C@H](C[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000924753404 931525363 /nfs/dbraw/zinc/52/53/63/931525363.db2.gz PFZDPJYKBQRIEL-RTBURBONSA-N 1 3 392.588 3.627 20 30 GHEDHO C=CCN1C(=O)CCC[C@]12CCCN(Cc1ccc(OCCC[NH+](C)C)cc1)C2 ZINC001204266156 1032709686 /nfs/dbraw/zinc/70/96/86/1032709686.db2.gz TZEIGMXUVCNCBF-XMMPIXPASA-N 1 3 399.579 3.550 20 30 GHEDHO C#Cc1cccc(C[NH+]2CCC3(C[C@@H](COC)N(Cc4ccccn4)C3)CC2)c1 ZINC001231655957 1034812936 /nfs/dbraw/zinc/81/29/36/1034812936.db2.gz WOKRMHGREZLXHR-DEOSSOPVSA-N 1 3 389.543 3.566 20 30 GHEDHO C=CCOC(=O)N1CCCC2(CCN([C@@H]3CC[NH2+][C@@H](C(C)(C)C)C3)CC2)C1 ZINC001246527445 1037460568 /nfs/dbraw/zinc/46/05/68/1037460568.db2.gz UMWPWKWDUPRPNN-RTBURBONSA-N 1 3 377.573 3.654 20 30 GHEDHO CCCCCCCC[C@H](O)C[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001252138955 1038889922 /nfs/dbraw/zinc/88/99/22/1038889922.db2.gz GHQPSZWEHRDXJC-QFIPXVFZSA-N 1 3 376.585 3.715 20 30 GHEDHO COc1cc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)ccc1C#N ZINC001238417773 1042589297 /nfs/dbraw/zinc/58/92/97/1042589297.db2.gz ZFWBIWXKKNHKAG-PKTZIBPZSA-N 1 3 375.516 3.911 20 30 GHEDHO COc1cc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)ccc1C#N ZINC001238417773 1042589300 /nfs/dbraw/zinc/58/93/00/1042589300.db2.gz ZFWBIWXKKNHKAG-PKTZIBPZSA-N 1 3 375.516 3.911 20 30 GHEDHO Cn1cc(CN2CC[C@H]3C[N@@H+](Cc4ccc(Cl)s4)C[C@H]3CC2)cc1C#N ZINC001279334145 1047771459 /nfs/dbraw/zinc/77/14/59/1047771459.db2.gz FLHCXNUXYUJCCB-CALCHBBNSA-N 1 3 388.968 3.956 20 30 GHEDHO Cn1cc(CN2CC[C@H]3C[N@H+](Cc4ccc(Cl)s4)C[C@H]3CC2)cc1C#N ZINC001279334145 1047771466 /nfs/dbraw/zinc/77/14/66/1047771466.db2.gz FLHCXNUXYUJCCB-CALCHBBNSA-N 1 3 388.968 3.956 20 30 GHEDHO N#Cc1cccc(NC(=O)CC[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)c1 ZINC001326596057 1057519153 /nfs/dbraw/zinc/51/91/53/1057519153.db2.gz IAWTZJIJWXDICQ-QFIPXVFZSA-N 1 3 390.531 3.779 20 30 GHEDHO N#Cc1cccc(NC(=O)CCNC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC001326596057 1057519157 /nfs/dbraw/zinc/51/91/57/1057519157.db2.gz IAWTZJIJWXDICQ-QFIPXVFZSA-N 1 3 390.531 3.779 20 30 GHEDHO N#Cc1cccc(NC(=O)CCNC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001326596057 1057519164 /nfs/dbraw/zinc/51/91/64/1057519164.db2.gz IAWTZJIJWXDICQ-QFIPXVFZSA-N 1 3 390.531 3.779 20 30 GHEDHO N#Cc1ccccc1OCCN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535680588 844286316 /nfs/dbraw/zinc/28/63/16/844286316.db2.gz OSXSBUHTKUCRAL-UHFFFAOYSA-N 1 3 375.516 3.925 20 30 GHEDHO N#Cc1ccccc1OCCN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535680588 844286321 /nfs/dbraw/zinc/28/63/21/844286321.db2.gz OSXSBUHTKUCRAL-UHFFFAOYSA-N 1 3 375.516 3.925 20 30 GHEDHO CCN(CC)c1ccc(/C=[NH+]/C[C@H]2CN(Cc3ccccc3)CCCO2)c(O)c1 ZINC000760976910 856888498 /nfs/dbraw/zinc/88/84/98/856888498.db2.gz AICLBJYVBTVTND-AJPHYDNBSA-N 1 3 395.547 3.948 20 30 GHEDHO CCN1CCN(Cc2ccc(C[NH2+]Cc3ccc(C(C)(C)C#N)cc3)cc2)CC1 ZINC000594495032 858191093 /nfs/dbraw/zinc/19/10/93/858191093.db2.gz NCWXVGSUQNUVND-UHFFFAOYSA-N 1 3 390.575 3.915 20 30 GHEDHO C=C(C)CN1CCC(NC(=O)N2CCC(CCC[NH+](CC)CC)CC2)CC1 ZINC000182516957 863260591 /nfs/dbraw/zinc/26/05/91/863260591.db2.gz AZCBMCFGWVVBII-UHFFFAOYSA-N 1 3 378.605 3.571 20 30 GHEDHO C=CCC1(O)CCN(CC(C[NH+]2CCC(O)(CC=C)CC2)C2CCCC2)CC1 ZINC000886780497 901271222 /nfs/dbraw/zinc/27/12/22/901271222.db2.gz PPXXZZRGDLAIER-UHFFFAOYSA-N 1 3 390.612 3.599 20 30 GHEDHO C[C@@H](CCCC#N)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1ccccn1 ZINC001172497066 905597671 /nfs/dbraw/zinc/59/76/71/905597671.db2.gz XHGDCGOHNSRCQC-ODGPQVTHSA-N 1 3 396.579 3.714 20 30 GHEDHO C[C@@H](CCCC#N)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1ccccn1 ZINC001172497066 905597685 /nfs/dbraw/zinc/59/76/85/905597685.db2.gz XHGDCGOHNSRCQC-ODGPQVTHSA-N 1 3 396.579 3.714 20 30 GHEDHO C[C@@H](CCCC#N)[N@@H+]1CC[C@@]2(CN(CC3CC3)C[C@H]2COCc2ccccn2)C1 ZINC001172497066 905597705 /nfs/dbraw/zinc/59/77/05/905597705.db2.gz XHGDCGOHNSRCQC-ODGPQVTHSA-N 1 3 396.579 3.714 20 30 GHEDHO C[C@@H](CCCC#N)[N@H+]1CC[C@@]2(CN(CC3CC3)C[C@H]2COCc2ccccn2)C1 ZINC001172497066 905597716 /nfs/dbraw/zinc/59/77/16/905597716.db2.gz XHGDCGOHNSRCQC-ODGPQVTHSA-N 1 3 396.579 3.714 20 30 GHEDHO C[C@H](CCCC#N)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001172496346 905598615 /nfs/dbraw/zinc/59/86/15/905598615.db2.gz ZQNVYYLBLSMJMV-FGCOXFRFSA-N 1 3 396.579 3.714 20 30 GHEDHO C[C@H](CCCC#N)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001172496346 905598625 /nfs/dbraw/zinc/59/86/25/905598625.db2.gz ZQNVYYLBLSMJMV-FGCOXFRFSA-N 1 3 396.579 3.714 20 30 GHEDHO C=CCN(CC[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001207204014 1034172840 /nfs/dbraw/zinc/17/28/40/1034172840.db2.gz YSWJHCWMBHXUBK-OAQYLSRUSA-N 1 3 387.568 3.863 20 30 GHEDHO C=CCN(CC[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC001207204014 1034172846 /nfs/dbraw/zinc/17/28/46/1034172846.db2.gz YSWJHCWMBHXUBK-OAQYLSRUSA-N 1 3 387.568 3.863 20 30 GHEDHO N#Cc1ccccc1O[C@H]1CCC[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208954581 1035127457 /nfs/dbraw/zinc/12/74/57/1035127457.db2.gz WNISHYBBTHSCMK-GGAORHGYSA-N 1 3 375.516 3.924 20 30 GHEDHO N#Cc1ccccc1O[C@H]1CCC[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208954581 1035127466 /nfs/dbraw/zinc/12/74/66/1035127466.db2.gz WNISHYBBTHSCMK-GGAORHGYSA-N 1 3 375.516 3.924 20 30 GHEDHO CN(C)CCC[NH+](CCCN(C)C)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254355998 1040189490 /nfs/dbraw/zinc/18/94/90/1040189490.db2.gz MRZIRNQGJFVJCL-UHFFFAOYSA-N 1 3 388.575 3.735 20 30 GHEDHO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCCN(Cc2ccccc2)CC1)C(C)C ZINC000503441427 847697211 /nfs/dbraw/zinc/69/72/11/847697211.db2.gz XLVNOAJZPKVIJY-QHCPKHFHSA-N 1 3 398.595 3.603 20 30 GHEDHO CN1CCN(Cc2ccc(C[NH2+][C@H]3CCCCc4cc(C#N)ccc43)cc2)CC1 ZINC000481928326 862533936 /nfs/dbraw/zinc/53/39/36/862533936.db2.gz QZWZRLOOGIEBDE-VWLOTQADSA-N 1 3 388.559 3.863 20 30 GHEDHO N#C[C@H]1CC[C@@H]([NH2+]CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000442705457 858064457 /nfs/dbraw/zinc/06/44/57/858064457.db2.gz BIDXVZDYTYWKEU-PKOBYXMFSA-N 1 3 394.485 3.889 20 30 GHEDHO Cc1c(Cl)cnc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1C#N ZINC001170526368 885492839 /nfs/dbraw/zinc/49/28/39/885492839.db2.gz TXVGUXFKKBNVDQ-UHFFFAOYSA-N 1 3 393.922 3.825 20 30 GHEDHO [NH2+]=C(Nc1ccc2c(c1)CCC2)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000262499921 892287303 /nfs/dbraw/zinc/28/73/03/892287303.db2.gz XYYLCACANAQAAQ-UHFFFAOYSA-N 1 3 380.458 3.707 20 30 GHEDHO COC1(C)CCN(Cc2cc(C#N)cc(C[NH+]3CCC(C)(OC)CC3)c2)CC1 ZINC000878375140 894242380 /nfs/dbraw/zinc/24/23/80/894242380.db2.gz XFISPTXWTCKBBF-UHFFFAOYSA-N 1 3 385.552 3.560 20 30 GHEDHO Cn1cc(CNCc2ccc(C[NH+]3CCCC3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180036724 906672190 /nfs/dbraw/zinc/67/21/90/906672190.db2.gz VIVCPRGSWKDKAJ-UHFFFAOYSA-N 1 3 385.515 3.844 20 30 GHEDHO C#CCOc1ccc(CN2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)cc1OC ZINC001138344599 1024707063 /nfs/dbraw/zinc/70/70/63/1024707063.db2.gz PCWWVXWXFPWCLK-UHFFFAOYSA-N 1 3 394.515 3.788 20 30 GHEDHO C#CCOc1ccc(CN2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cc1OC ZINC001138344599 1024707075 /nfs/dbraw/zinc/70/70/75/1024707075.db2.gz PCWWVXWXFPWCLK-UHFFFAOYSA-N 1 3 394.515 3.788 20 30 GHEDHO C#CCOc1ccc(C[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)cc1OC ZINC001138347690 1024710645 /nfs/dbraw/zinc/71/06/45/1024710645.db2.gz DDZVWJLTDHCBET-UHFFFAOYSA-N 1 3 390.527 3.805 20 30 GHEDHO C#CCOc1ccc(CN2CCC3(C[NH+](Cc4ccccc4)C3)CC2)cc1OC ZINC001138347690 1024710655 /nfs/dbraw/zinc/71/06/55/1024710655.db2.gz DDZVWJLTDHCBET-UHFFFAOYSA-N 1 3 390.527 3.805 20 30 GHEDHO N#Cc1cnc(Cl)cc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001159459979 1034606341 /nfs/dbraw/zinc/60/63/41/1034606341.db2.gz JEIGPRQYDFLOAB-UHFFFAOYSA-N 1 3 379.895 3.516 20 30 GHEDHO Cc1ccc(CN2CCC3(C[C@H]([N@H+](C)Cc4ccccn4)CO3)CC2)c(C#N)c1 ZINC001232965112 1038739128 /nfs/dbraw/zinc/73/91/28/1038739128.db2.gz MEFRQXCDKORPSC-QHCPKHFHSA-N 1 3 390.531 3.517 20 30 GHEDHO Cc1ccc(CN2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)c(C#N)c1 ZINC001232965112 1038739136 /nfs/dbraw/zinc/73/91/36/1038739136.db2.gz MEFRQXCDKORPSC-QHCPKHFHSA-N 1 3 390.531 3.517 20 30 GHEDHO Cc1ccc(C[NH+]2CCC3(C[C@H](N(C)Cc4ccccn4)CO3)CC2)c(C#N)c1 ZINC001232965112 1038739142 /nfs/dbraw/zinc/73/91/42/1038739142.db2.gz MEFRQXCDKORPSC-QHCPKHFHSA-N 1 3 390.531 3.517 20 30 GHEDHO CN(CCC#N)c1ccc(CN2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235375382 1040885880 /nfs/dbraw/zinc/88/58/80/1040885880.db2.gz ZNURZLSCNDLTRS-ZCYQVOJMSA-N 1 3 388.559 3.790 20 30 GHEDHO C=CCO[C@@H]1CO[C@@]2(C1)CCCN(C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC001258141941 1044428762 /nfs/dbraw/zinc/42/87/62/1044428762.db2.gz QEHQEUSCYZIXNW-BJKOFHAPSA-N 1 3 384.564 3.520 20 30 GHEDHO C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(CN(CC3CC3)C[C@@H]2COCc2ccccn2)C1 ZINC001258728951 1044735675 /nfs/dbraw/zinc/73/56/75/1044735675.db2.gz RVXTXJATEAHIOW-KIFXHHALSA-N 1 3 383.580 3.987 20 30 GHEDHO C=CCC[C@@H](C)[N@H+]1CC[C@@]2(CN(CC3CC3)C[C@@H]2COCc2ccccn2)C1 ZINC001258728951 1044735692 /nfs/dbraw/zinc/73/56/92/1044735692.db2.gz RVXTXJATEAHIOW-KIFXHHALSA-N 1 3 383.580 3.987 20 30 GHEDHO CN1CCN(Cc2cccc(C[NH2+][C@@H]3CCCCc4cc(C#N)ccc43)c2)CC1 ZINC001322475773 1056721904 /nfs/dbraw/zinc/72/19/04/1056721904.db2.gz NCJGQOJAIZSQLT-RUZDIDTESA-N 1 3 388.559 3.863 20 30 GHEDHO C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391910 835669257 /nfs/dbraw/zinc/66/92/57/835669257.db2.gz QYNNAEPFKFVZSQ-GOSISDBHSA-N 1 3 391.519 3.519 20 30 GHEDHO CN1CCN(Cc2ccc(C[NH2+]Cc3ccc(C(C)(C)C#N)cc3)cc2)CC1 ZINC000594495861 858191320 /nfs/dbraw/zinc/19/13/20/858191320.db2.gz UBBONZKGXHZVOW-UHFFFAOYSA-N 1 3 376.548 3.525 20 30 GHEDHO C=CCN1CCC(NC(=O)Nc2nc3ccc(C[N@@H+](C)C4CC4)cc3s2)CC1 ZINC000667610477 863949543 /nfs/dbraw/zinc/94/95/43/863949543.db2.gz GBAZFCJNLLAKGB-UHFFFAOYSA-N 1 3 399.564 3.662 20 30 GHEDHO C=CCN1CCC(NC(=O)Nc2nc3ccc(C[N@H+](C)C4CC4)cc3s2)CC1 ZINC000667610477 863949548 /nfs/dbraw/zinc/94/95/48/863949548.db2.gz GBAZFCJNLLAKGB-UHFFFAOYSA-N 1 3 399.564 3.662 20 30 GHEDHO COc1cc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)ccc1CC#N ZINC001170528800 885577884 /nfs/dbraw/zinc/57/78/84/885577884.db2.gz WICZBPRGOYVYJJ-UHFFFAOYSA-N 1 3 388.515 3.671 20 30 GHEDHO CCOCCCN1CC[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)[C@@H](C)C1 ZINC000571846758 899988282 /nfs/dbraw/zinc/98/82/82/899988282.db2.gz GTEXWFAXYMQWCG-KXBFYZLASA-N 1 3 383.458 3.804 20 30 GHEDHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCC(=O)Nc3ccccc3C#N)C2)s1 ZINC000575806003 901323809 /nfs/dbraw/zinc/32/38/09/901323809.db2.gz PYECRONUKRDGGQ-SFHVURJKSA-N 1 3 396.560 3.711 20 30 GHEDHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCC(=O)Nc3ccccc3C#N)C2)s1 ZINC000575806003 901323824 /nfs/dbraw/zinc/32/38/24/901323824.db2.gz PYECRONUKRDGGQ-SFHVURJKSA-N 1 3 396.560 3.711 20 30 GHEDHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000924753401 931525694 /nfs/dbraw/zinc/52/56/94/931525694.db2.gz PFZDPJYKBQRIEL-RBUKOAKNSA-N 1 3 392.588 3.627 20 30 GHEDHO CCC[N@H+]1CC[C@H](CN[C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000924753401 931525699 /nfs/dbraw/zinc/52/56/99/931525699.db2.gz PFZDPJYKBQRIEL-RBUKOAKNSA-N 1 3 392.588 3.627 20 30 GHEDHO CCCN1CC[C@H](C[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000924753401 931525704 /nfs/dbraw/zinc/52/57/04/931525704.db2.gz PFZDPJYKBQRIEL-RBUKOAKNSA-N 1 3 392.588 3.627 20 30 GHEDHO C[NH+](C)CCCOc1ccc(CN2CCC[C@@H](Oc3cccc(C#N)c3)C2)cc1 ZINC001204270131 1032713312 /nfs/dbraw/zinc/71/33/12/1032713312.db2.gz PVDYBHIYPCJQBE-XMMPIXPASA-N 1 3 393.531 3.932 20 30 GHEDHO Cc1nc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c(Cl)cc1C#N ZINC001159467016 1034609592 /nfs/dbraw/zinc/60/95/92/1034609592.db2.gz KSGPFMOGRLWYJT-UHFFFAOYSA-N 1 3 393.922 3.825 20 30 GHEDHO C=CCN1CC[C@@]2(C[N@H+]([C@@H]3CCN[C@@H](C(C)(C)C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246705952 1037558250 /nfs/dbraw/zinc/55/82/50/1037558250.db2.gz ZKNCRDRTAWUGDV-XAISMOLKSA-N 1 3 395.591 3.657 20 30 GHEDHO C=CCN1CC[C@@]2(C[N@@H+]([C@@H]3CCN[C@@H](C(C)(C)C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246705952 1037558259 /nfs/dbraw/zinc/55/82/59/1037558259.db2.gz ZKNCRDRTAWUGDV-XAISMOLKSA-N 1 3 395.591 3.657 20 30 GHEDHO C=CCOc1ccccc1[C@H](C)[NH2+]CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254051569 1039976719 /nfs/dbraw/zinc/97/67/19/1039976719.db2.gz RFKPRVUXUMJSRO-FQEVSTJZSA-N 1 3 380.532 3.929 20 30 GHEDHO N#Cc1cc(-c2cccc(CN3CCCCC3)c2F)ccc1N1CC[NH2+]CC1 ZINC001236012699 1041506280 /nfs/dbraw/zinc/50/62/80/1041506280.db2.gz SKQPVOGMRSDNQF-UHFFFAOYSA-N 1 3 378.495 3.760 20 30 GHEDHO CC(C)(C)[C@]1(CNCCNc2ncccc2C#N)CC[N@H+](Cc2ccccc2)C1 ZINC001462685834 1070469708 /nfs/dbraw/zinc/46/97/08/1070469708.db2.gz JJGVGFIJQSPYSN-DEOSSOPVSA-N 1 3 391.563 3.893 20 30 GHEDHO CC(C)(C)[C@]1(CNCCNc2ncccc2C#N)CC[N@@H+](Cc2ccccc2)C1 ZINC001462685834 1070469711 /nfs/dbraw/zinc/46/97/11/1070469711.db2.gz JJGVGFIJQSPYSN-DEOSSOPVSA-N 1 3 391.563 3.893 20 30 GHEDHO CN(C)c1ccc(C#N)cc1CN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC001474342936 1074353226 /nfs/dbraw/zinc/35/32/26/1074353226.db2.gz HVLZRKLMYCXTOL-UHFFFAOYSA-N 1 3 376.548 3.968 20 30 GHEDHO CN(C)c1ccc(C#N)cc1CN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC001474342936 1074353233 /nfs/dbraw/zinc/35/32/33/1074353233.db2.gz HVLZRKLMYCXTOL-UHFFFAOYSA-N 1 3 376.548 3.968 20 30 GHEDHO C[NH+]1CCN(C(=N)Nc2ccc(N=C(c3ccccc3)c3ccccc3)nc2)CC1 ZINC001168746139 861966006 /nfs/dbraw/zinc/96/60/06/861966006.db2.gz DITPXBUWEHIPQT-UHFFFAOYSA-N 1 3 398.514 3.845 20 30 GHEDHO N#Cc1ccc(O[C@H]2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)C2)nc1 ZINC000591037629 855731068 /nfs/dbraw/zinc/73/10/68/855731068.db2.gz DECDJQUBOZGYMS-QFIPXVFZSA-N 1 3 376.504 3.592 20 30 GHEDHO C=CC[C@H]1N(C(=O)C2CCN(C3CC[NH+](CC)CC3)CC2)CCCC1(C)C ZINC000574098953 857244978 /nfs/dbraw/zinc/24/49/78/857244978.db2.gz SGUZPNOCJLFZTQ-OAQYLSRUSA-N 1 3 375.601 3.776 20 30 GHEDHO CCCC[N@H+](C)CC1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000733997193 863934159 /nfs/dbraw/zinc/93/41/59/863934159.db2.gz SUSZIFKQQQDAEN-SFHVURJKSA-N 1 3 398.576 3.916 20 30 GHEDHO CCCC[N@@H+](C)CC1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000733997193 863934174 /nfs/dbraw/zinc/93/41/74/863934174.db2.gz SUSZIFKQQQDAEN-SFHVURJKSA-N 1 3 398.576 3.916 20 30 GHEDHO C=CCOc1ccccc1CN(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000538723869 870519536 /nfs/dbraw/zinc/51/95/36/870519536.db2.gz DVYITPWXZYHPNC-UHFFFAOYSA-N 1 3 385.596 3.880 20 30 GHEDHO Cc1ccc(C[N@H+]2CC[C@H](CN(C)CCC(=O)Nc3ccccc3C#N)C2)s1 ZINC000575805983 901320801 /nfs/dbraw/zinc/32/08/01/901320801.db2.gz PYECRONUKRDGGQ-GOSISDBHSA-N 1 3 396.560 3.711 20 30 GHEDHO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCC(=O)Nc3ccccc3C#N)C2)s1 ZINC000575805983 901320814 /nfs/dbraw/zinc/32/08/14/901320814.db2.gz PYECRONUKRDGGQ-GOSISDBHSA-N 1 3 396.560 3.711 20 30 GHEDHO N=C(Nc1ccc([C@@]23CC[NH2+][C@@H]2COCC3)cc1)c1ccc2cc(O)ccc2c1 ZINC001171185326 902208823 /nfs/dbraw/zinc/20/88/23/902208823.db2.gz UYKPBQTZRKEQBY-VWNXMTODSA-N 1 3 387.483 3.602 20 30 GHEDHO C[C@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000181677170 907054979 /nfs/dbraw/zinc/05/49/79/907054979.db2.gz NEWMACCUIYBXRW-IBGZPJMESA-N 1 3 393.531 3.899 20 30 GHEDHO C[C@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000181677170 907054999 /nfs/dbraw/zinc/05/49/99/907054999.db2.gz NEWMACCUIYBXRW-IBGZPJMESA-N 1 3 393.531 3.899 20 30 GHEDHO C=CCCCCC[C@H](N)C(=O)N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221202109 1032328590 /nfs/dbraw/zinc/32/85/90/1032328590.db2.gz SFVOWRZDCRJFAA-SFTDATJTSA-N 1 3 375.532 3.837 20 30 GHEDHO COc1ccc(NC(=[NH2+])NCC2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000304748340 1021153761 /nfs/dbraw/zinc/15/37/61/1021153761.db2.gz HCZUAHODEHQGFK-UHFFFAOYSA-N 1 3 386.927 3.987 20 30 GHEDHO N#Cc1ccc(CC[N@@H+]2[C@@H](COCc3ccccc3)CCC23CCNCC3)cc1 ZINC001222573776 1030204862 /nfs/dbraw/zinc/20/48/62/1030204862.db2.gz DQIKNCMFPTZEJI-XMMPIXPASA-N 1 3 389.543 3.904 20 30 GHEDHO N#Cc1ccc(CC[N@H+]2[C@@H](COCc3ccccc3)CCC23CCNCC3)cc1 ZINC001222573776 1030204875 /nfs/dbraw/zinc/20/48/75/1030204875.db2.gz DQIKNCMFPTZEJI-XMMPIXPASA-N 1 3 389.543 3.904 20 30 GHEDHO N#Cc1ccc(CCN2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cc1 ZINC001222573776 1030204889 /nfs/dbraw/zinc/20/48/89/1030204889.db2.gz DQIKNCMFPTZEJI-XMMPIXPASA-N 1 3 389.543 3.904 20 30 GHEDHO C=CCO[C@@H]1CO[C@]2(C1)CCCN(C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC001208935792 1035101577 /nfs/dbraw/zinc/10/15/77/1035101577.db2.gz LQZPGPZRIKEDPD-SGNDLWITSA-N 1 3 384.564 3.725 20 30 GHEDHO C=CCO[C@@H]1CO[C@]2(C1)CCCN(C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208935792 1035101581 /nfs/dbraw/zinc/10/15/81/1035101581.db2.gz LQZPGPZRIKEDPD-SGNDLWITSA-N 1 3 384.564 3.725 20 30 GHEDHO CCCCCCCCCCCCOCCOC[C@@H](O)CN[C@H]1C[C@@](C)([NH3+])C1 ZINC001246009296 1037129451 /nfs/dbraw/zinc/12/94/51/1037129451.db2.gz JHGPEZLQRUEHEU-FDFHNCONSA-N 1 3 386.621 3.771 20 30 GHEDHO C=CCN1CC[C@@]2(C[N@H+]([C@H]3CCN[C@H](CCCC)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246704498 1037558069 /nfs/dbraw/zinc/55/80/69/1037558069.db2.gz WAASHXGGNDRSNS-QENXHYHDSA-N 1 3 395.591 3.801 20 30 GHEDHO C=CCN1CC[C@@]2(C[N@@H+]([C@H]3CCN[C@H](CCCC)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246704498 1037558074 /nfs/dbraw/zinc/55/80/74/1037558074.db2.gz WAASHXGGNDRSNS-QENXHYHDSA-N 1 3 395.591 3.801 20 30 GHEDHO C=CCN1CC[C@@]2(C[N@H+]([C@H]3CCN[C@H](C(C)(C)C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246705950 1037559026 /nfs/dbraw/zinc/55/90/26/1037559026.db2.gz ZKNCRDRTAWUGDV-MTQWNXOMSA-N 1 3 395.591 3.657 20 30 GHEDHO C=CCN1CC[C@@]2(C[N@@H+]([C@H]3CCN[C@H](C(C)(C)C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246705950 1037559040 /nfs/dbraw/zinc/55/90/40/1037559040.db2.gz ZKNCRDRTAWUGDV-MTQWNXOMSA-N 1 3 395.591 3.657 20 30 GHEDHO N#CCOc1ccc(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000248405780 845302871 /nfs/dbraw/zinc/30/28/71/845302871.db2.gz RTKRNFGTXKWVCR-GMKZXUHWSA-N 1 3 375.516 3.979 20 30 GHEDHO N#CCOc1ccc(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000248405780 845302885 /nfs/dbraw/zinc/30/28/85/845302885.db2.gz RTKRNFGTXKWVCR-GMKZXUHWSA-N 1 3 375.516 3.979 20 30 GHEDHO C=CCC[C@H](NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000158070486 846436108 /nfs/dbraw/zinc/43/61/08/846436108.db2.gz GREMJLXWPQGSLZ-QFIPXVFZSA-N 1 3 384.568 3.552 20 30 GHEDHO Cn1cc(C[NH2+]Cc2ccccc2CN2CCN(c3ccccc3)CC2)cc1C#N ZINC000190757445 908524567 /nfs/dbraw/zinc/52/45/67/908524567.db2.gz MLPGYWSZFMNLCQ-UHFFFAOYSA-N 1 3 399.542 3.509 20 30 GHEDHO Cc1ccc(NC(=[NH2+])NCCCCN2CCN(Cc3ccccc3)CC2)cc1C ZINC000303872056 915229690 /nfs/dbraw/zinc/22/96/90/915229690.db2.gz BSRVHMIZPXNSPZ-UHFFFAOYSA-N 1 3 393.579 3.628 20 30 GHEDHO C[C@@H](NCCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411512691 926469690 /nfs/dbraw/zinc/46/96/90/926469690.db2.gz BNQNGKXZHADUIA-WBVHZDCISA-N 1 3 388.943 3.783 20 30 GHEDHO C[C@@H](NCCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411512691 926469692 /nfs/dbraw/zinc/46/96/92/926469692.db2.gz BNQNGKXZHADUIA-WBVHZDCISA-N 1 3 388.943 3.783 20 30 GHEDHO C[NH+](C)CCCOc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000777688638 932972960 /nfs/dbraw/zinc/97/29/60/932972960.db2.gz USJZRCZKMQZCAO-UHFFFAOYSA-N 1 3 392.547 3.965 20 30 GHEDHO C#CCOc1ccc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC001138348774 1024712292 /nfs/dbraw/zinc/71/22/92/1024712292.db2.gz MXIWKZNOBOGXEI-JOCHJYFZSA-N 1 3 378.516 3.661 20 30 GHEDHO C#CCOc1ccc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1OC ZINC001138348774 1024712307 /nfs/dbraw/zinc/71/23/07/1024712307.db2.gz MXIWKZNOBOGXEI-JOCHJYFZSA-N 1 3 378.516 3.661 20 30 GHEDHO C=CCN(CC[NH+]1CCC2(CC[C@H]2N(C)Cc2ccco2)CC1)C(=O)OCC ZINC001209019819 1035152272 /nfs/dbraw/zinc/15/22/72/1035152272.db2.gz SUXVXPJOBDGWRU-HXUWFJFHSA-N 1 3 389.540 3.601 20 30 GHEDHO C=CCN(CCN1CCC2(CC[C@H]2[N@H+](C)Cc2ccco2)CC1)C(=O)OCC ZINC001209019819 1035152276 /nfs/dbraw/zinc/15/22/76/1035152276.db2.gz SUXVXPJOBDGWRU-HXUWFJFHSA-N 1 3 389.540 3.601 20 30 GHEDHO C=CCN(CCN1CCC2(CC[C@H]2[N@@H+](C)Cc2ccco2)CC1)C(=O)OCC ZINC001209019819 1035152279 /nfs/dbraw/zinc/15/22/79/1035152279.db2.gz SUXVXPJOBDGWRU-HXUWFJFHSA-N 1 3 389.540 3.601 20 30 GHEDHO C[NH+]1CCC(c2ccc(-c3nccnc3C(C#N)C(=O)OC(C)(C)C)cc2)CC1 ZINC001243653503 1036239165 /nfs/dbraw/zinc/23/91/65/1036239165.db2.gz XXNZKEGUWOKEIA-LJQANCHMSA-N 1 3 392.503 3.902 20 30 GHEDHO CCCCCCCCOc1ccc(-c2noc([C@@H]3CNCC34C[NH2+]C4)n2)cc1 ZINC001247830979 1038412867 /nfs/dbraw/zinc/41/28/67/1038412867.db2.gz QDESMAVDRCLTFV-IBGZPJMESA-N 1 3 384.524 3.752 20 30 GHEDHO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)c(C#N)c1C ZINC000274828204 835668669 /nfs/dbraw/zinc/66/86/69/835668669.db2.gz LJCIGNNMDKOJTD-KUDFPVQQSA-N 1 3 394.519 3.595 20 30 GHEDHO C=CC[NH+]1CCC(NCc2ccc(OCc3c(C)noc3C)c(OC)c2)CC1 ZINC000237115344 847321180 /nfs/dbraw/zinc/32/11/80/847321180.db2.gz OABQEUFQROSZJB-UHFFFAOYSA-N 1 3 385.508 3.619 20 30 GHEDHO C=CCOc1c(Br)cc(CN[C@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000414795704 850533669 /nfs/dbraw/zinc/53/36/69/850533669.db2.gz GYWMLASBKSZCNP-ZBFHGGJFSA-N 1 3 383.330 3.630 20 30 GHEDHO CC(C)(C#N)c1ccc(CNCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000594501335 858193104 /nfs/dbraw/zinc/19/31/04/858193104.db2.gz UHDYJRMXGOJPPF-QHCPKHFHSA-N 1 3 377.532 3.734 20 30 GHEDHO CC(C)(C#N)c1ccc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000594501335 858193110 /nfs/dbraw/zinc/19/31/10/858193110.db2.gz UHDYJRMXGOJPPF-QHCPKHFHSA-N 1 3 377.532 3.734 20 30 GHEDHO C[NH+](C)CCOC1CCN(Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000539831883 869869955 /nfs/dbraw/zinc/86/99/55/869869955.db2.gz IPTHELGMTLCSND-UHFFFAOYSA-N 1 3 393.531 3.680 20 30 GHEDHO Cc1cc(CNCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)ccc1C#N ZINC000443972062 877148371 /nfs/dbraw/zinc/14/83/71/877148371.db2.gz WFXOUSVTAKASDU-UHFFFAOYSA-N 1 3 393.531 3.646 20 30 GHEDHO Cc1cc(CNCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)ccc1C#N ZINC000443972062 877148383 /nfs/dbraw/zinc/14/83/83/877148383.db2.gz WFXOUSVTAKASDU-UHFFFAOYSA-N 1 3 393.531 3.646 20 30 GHEDHO N#Cc1cc2[nH]ccc2c(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c1 ZINC001170528250 885544154 /nfs/dbraw/zinc/54/41/54/885544154.db2.gz HVQPVYPDPWTXKR-UHFFFAOYSA-N 1 3 383.499 3.949 20 30 GHEDHO C=CCC[C@H](NCC(=O)NC1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000878375720 894241792 /nfs/dbraw/zinc/24/17/92/894241792.db2.gz IBZHBQQZKHIDBC-SFHVURJKSA-N 1 3 383.458 3.513 20 30 GHEDHO C=CCCC[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000878553406 894379768 /nfs/dbraw/zinc/37/97/68/894379768.db2.gz YZBQBLWPLMWETR-HSZRJFAPSA-N 1 3 383.580 3.801 20 30 GHEDHO C[C@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1cccc(C#N)c1 ZINC000181677307 907054740 /nfs/dbraw/zinc/05/47/40/907054740.db2.gz QKXFVACVLHQHNG-IBGZPJMESA-N 1 3 393.531 3.899 20 30 GHEDHO C[C@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1cccc(C#N)c1 ZINC000181677307 907054760 /nfs/dbraw/zinc/05/47/60/907054760.db2.gz QKXFVACVLHQHNG-IBGZPJMESA-N 1 3 393.531 3.899 20 30 GHEDHO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000926543900 932222387 /nfs/dbraw/zinc/22/23/87/932222387.db2.gz YSCSQNXCOPFMRS-QBUWPKIASA-N 1 3 390.572 3.521 20 30 GHEDHO C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000926543900 932222394 /nfs/dbraw/zinc/22/23/94/932222394.db2.gz YSCSQNXCOPFMRS-QBUWPKIASA-N 1 3 390.572 3.521 20 30 GHEDHO N#Cc1cc(NC2=C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)ccc1N1CC[NH2+]CC1 ZINC001159743103 1034731174 /nfs/dbraw/zinc/73/11/74/1034731174.db2.gz TXZOOZOCOZQVEB-RPWUZVMVSA-N 1 3 399.542 3.701 20 30 GHEDHO N#Cc1ccc(O[C@@H]2CCC[N@@H+]([C@@H]3CCN[C@H](Cc4ccccc4)C3)C2)cc1 ZINC001246970968 1037794174 /nfs/dbraw/zinc/79/41/74/1037794174.db2.gz XLKNFZJQYDEVTB-CQOQZXRMSA-N 1 3 375.516 3.765 20 30 GHEDHO N#Cc1ccc(O[C@@H]2CCC[N@H+]([C@@H]3CCN[C@H](Cc4ccccc4)C3)C2)cc1 ZINC001246970968 1037794195 /nfs/dbraw/zinc/79/41/95/1037794195.db2.gz XLKNFZJQYDEVTB-CQOQZXRMSA-N 1 3 375.516 3.765 20 30 GHEDHO N#Cc1ccc(O[C@@H]2CCC[N@@H+]([C@H]3CCN[C@H](Cc4ccccc4)C3)C2)cc1 ZINC001246970967 1037795779 /nfs/dbraw/zinc/79/57/79/1037795779.db2.gz XLKNFZJQYDEVTB-AOHZBQACSA-N 1 3 375.516 3.765 20 30 GHEDHO N#Cc1ccc(O[C@@H]2CCC[N@H+]([C@H]3CCN[C@H](Cc4ccccc4)C3)C2)cc1 ZINC001246970967 1037795802 /nfs/dbraw/zinc/79/58/02/1037795802.db2.gz XLKNFZJQYDEVTB-AOHZBQACSA-N 1 3 375.516 3.765 20 30 GHEDHO C=CCOc1c(Br)cc(C[N@H+](C)C[C@@H]2CCCN(C)C2)cc1OC ZINC000092253667 843729852 /nfs/dbraw/zinc/72/98/52/843729852.db2.gz DKHUJEUJDJTOCI-OAHLLOKOSA-N 1 3 397.357 3.796 20 30 GHEDHO C=CCOc1c(Br)cc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)cc1OC ZINC000092253667 843729868 /nfs/dbraw/zinc/72/98/68/843729868.db2.gz DKHUJEUJDJTOCI-OAHLLOKOSA-N 1 3 397.357 3.796 20 30 GHEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCCN(Cc2ccccc2)CC1)C(C)C ZINC000503441426 847697504 /nfs/dbraw/zinc/69/75/04/847697504.db2.gz XLVNOAJZPKVIJY-HSZRJFAPSA-N 1 3 398.595 3.603 20 30 GHEDHO C[C@@H](C#N)Oc1ccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000732230788 862162007 /nfs/dbraw/zinc/16/20/07/862162007.db2.gz TTWVDYLCTCZVPC-IBGZPJMESA-N 1 3 379.504 3.742 20 30 GHEDHO C=CCN(Cc1ccccc1F)C(=O)C1CCN(C2CC[NH+](CC)CC2)CC1 ZINC000518741562 853699868 /nfs/dbraw/zinc/69/98/68/853699868.db2.gz BYJHTKIVVZMWGE-UHFFFAOYSA-N 1 3 387.543 3.537 20 30 GHEDHO N#C[C@@H]1CC[C@H]([NH2+]CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000442705455 858064229 /nfs/dbraw/zinc/06/42/29/858064229.db2.gz BIDXVZDYTYWKEU-MJGOQNOKSA-N 1 3 394.485 3.889 20 30 GHEDHO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CCN(CC)CC3)cc2)cc1 ZINC000765011121 859726196 /nfs/dbraw/zinc/72/61/96/859726196.db2.gz SKOWWVZCKWJBMU-OAQYLSRUSA-N 1 3 391.559 3.687 20 30 GHEDHO CCN([C@@H]1CCOC1)C1CC[NH+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170389396 881505461 /nfs/dbraw/zinc/50/54/61/881505461.db2.gz QPMQFZMSEHQHEI-SHSGKGFPSA-N 1 3 381.564 3.966 20 30 GHEDHO CCOCCC[N@@H+]1CC[C@H](/[NH+]=C\c2ccc(N(CC)CC)cc2[O-])[C@@H](C)C1 ZINC000734366229 864178602 /nfs/dbraw/zinc/17/86/02/864178602.db2.gz JMFXYIVBYVJVMK-RXCKXGNTSA-N 1 3 375.557 3.794 20 30 GHEDHO CCOCCC[N@H+]1CC[C@H](/[NH+]=C\c2ccc(N(CC)CC)cc2[O-])[C@@H](C)C1 ZINC000734366229 864178609 /nfs/dbraw/zinc/17/86/09/864178609.db2.gz JMFXYIVBYVJVMK-RXCKXGNTSA-N 1 3 375.557 3.794 20 30 GHEDHO CC[NH+]1CCC(N2CCC(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)CC1 ZINC000553266183 867069135 /nfs/dbraw/zinc/06/91/35/867069135.db2.gz SDPJPMYIUOAWON-UHFFFAOYSA-N 1 3 382.552 3.623 20 30 GHEDHO C=CCN1CCC(NC(=O)NC[C@H](c2ccc(Cl)cc2)[N@@H+](C)CCC)CC1 ZINC000553925687 868484165 /nfs/dbraw/zinc/48/41/65/868484165.db2.gz FUVGNIFTOSEEPY-HXUWFJFHSA-N 1 3 392.975 3.673 20 30 GHEDHO C=CCN1CCC(NC(=O)NC[C@H](c2ccc(Cl)cc2)[N@H+](C)CCC)CC1 ZINC000553925687 868484169 /nfs/dbraw/zinc/48/41/69/868484169.db2.gz FUVGNIFTOSEEPY-HXUWFJFHSA-N 1 3 392.975 3.673 20 30 GHEDHO CN(Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000809739102 887772856 /nfs/dbraw/zinc/77/28/56/887772856.db2.gz XLVOLOPMIHHKEP-UHFFFAOYSA-N 1 3 388.519 3.552 20 30 GHEDHO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)CCC(=O)Nc3ccc(C#N)cc3)C2)s1 ZINC000576788919 902263662 /nfs/dbraw/zinc/26/36/62/902263662.db2.gz CCOQYSWXLOPNCI-IBGZPJMESA-N 1 3 396.560 3.711 20 30 GHEDHO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCC(=O)Nc3ccc(C#N)cc3)C2)s1 ZINC000576788919 902263674 /nfs/dbraw/zinc/26/36/74/902263674.db2.gz CCOQYSWXLOPNCI-IBGZPJMESA-N 1 3 396.560 3.711 20 30 GHEDHO C=CCN1CCC(NC(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000468025878 1015161986 /nfs/dbraw/zinc/16/19/86/1015161986.db2.gz KWBPSPVGBLUWSY-UGKGYDQZSA-N 1 3 386.584 3.702 20 30 GHEDHO C#C[C@H](Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C)c1ccccc1 ZINC001227161871 1032301092 /nfs/dbraw/zinc/30/10/92/1032301092.db2.gz XWNSQLPYKXXLJR-QHCPKHFHSA-N 1 3 379.548 3.625 20 30 GHEDHO CC[NH+](CC)Cc1ccccc1-c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001243334538 1036116828 /nfs/dbraw/zinc/11/68/28/1036116828.db2.gz AWSGZFOTWZFLJP-GOSISDBHSA-N 1 3 380.492 3.934 20 30 GHEDHO C=CCOC(=O)N1CCCC2(CCN([C@@H]3CC[NH2+][C@H](CCCC)C3)CC2)C1 ZINC001246527783 1037460483 /nfs/dbraw/zinc/46/04/83/1037460483.db2.gz WMVBCRLOKRBPCK-WOJBJXKFSA-N 1 3 377.573 3.798 20 30 GHEDHO Cc1ccc(CN2CCC3(C[C@H]([N@H+](C)Cc4ccco4)CO3)CC2)c(C#N)c1 ZINC001232965219 1038738633 /nfs/dbraw/zinc/73/86/33/1038738633.db2.gz QQZBWCQZBFDJJU-NRFANRHFSA-N 1 3 379.504 3.715 20 30 GHEDHO Cc1ccc(CN2CCC3(C[C@H]([N@@H+](C)Cc4ccco4)CO3)CC2)c(C#N)c1 ZINC001232965219 1038738641 /nfs/dbraw/zinc/73/86/41/1038738641.db2.gz QQZBWCQZBFDJJU-NRFANRHFSA-N 1 3 379.504 3.715 20 30 GHEDHO COc1cc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1C#N ZINC001238417768 1042589379 /nfs/dbraw/zinc/58/93/79/1042589379.db2.gz ZFWBIWXKKNHKAG-DHIUTWEWSA-N 1 3 375.516 3.911 20 30 GHEDHO COc1cc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)ccc1C#N ZINC001238417768 1042589382 /nfs/dbraw/zinc/58/93/82/1042589382.db2.gz ZFWBIWXKKNHKAG-DHIUTWEWSA-N 1 3 375.516 3.911 20 30 GHEDHO N#Cc1c(N)sc(CN2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)c1Cl ZINC001279370067 1047783777 /nfs/dbraw/zinc/78/37/77/1047783777.db2.gz DEYSSWMCPRCBBH-OKILXGFUSA-N 1 3 378.973 3.942 20 30 GHEDHO N#Cc1c(N)sc(CN2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)c1Cl ZINC001279370067 1047783782 /nfs/dbraw/zinc/78/37/82/1047783782.db2.gz DEYSSWMCPRCBBH-OKILXGFUSA-N 1 3 378.973 3.942 20 30 GHEDHO COc1cc(C#N)ccc1OCCNC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000184754115 855768883 /nfs/dbraw/zinc/76/88/83/855768883.db2.gz OVGOMPPXMVATJZ-RTBURBONSA-N 1 3 393.531 3.692 20 30 GHEDHO CCN([C@H]1CCOC1)C1CC[NH+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170389395 881503629 /nfs/dbraw/zinc/50/36/29/881503629.db2.gz QPMQFZMSEHQHEI-RZMWZJFBSA-N 1 3 381.564 3.966 20 30 GHEDHO C[C@H]1CCC[C@H](N2CCC([NH2+]C3CCN(c4ccc(C#N)cn4)CC3)CC2)C1 ZINC000161703019 861178563 /nfs/dbraw/zinc/17/85/63/861178563.db2.gz MTMNCZPTINDVSX-AVRDEDQJSA-N 1 3 381.568 3.555 20 30 GHEDHO CC1(C#N)CCC([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CCOCC3)CC1 ZINC000449345430 874737527 /nfs/dbraw/zinc/73/75/27/874737527.db2.gz VMSVHQUROKSMEC-UVKLAMSESA-N 1 3 381.564 3.977 20 30 GHEDHO CCC1([NH+]2CCCC2)CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000879210135 894906850 /nfs/dbraw/zinc/90/68/50/894906850.db2.gz SZPMCUHBCBVKNB-QGZVFWFLSA-N 1 3 396.560 3.813 20 30 GHEDHO Cc1nc(C2CC[NH+]([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)[nH]c1C ZINC000886666407 901215384 /nfs/dbraw/zinc/21/53/84/901215384.db2.gz SFTDXWCPNLPZEV-KRWDZBQOSA-N 1 3 397.498 3.680 20 30 GHEDHO Cc1cc(C)cc(NC(=[NH2+])NCCCCN2CCN(c3ccccc3)CC2)c1 ZINC000303904684 915305020 /nfs/dbraw/zinc/30/50/20/915305020.db2.gz VDKMIYUJNXFGIJ-UHFFFAOYSA-N 1 3 379.552 3.632 20 30 GHEDHO C=C[C@H](C#CC(C)(C)C)Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227165188 1032302985 /nfs/dbraw/zinc/30/29/85/1032302985.db2.gz QBCDBOJJEXICKD-JOCHJYFZSA-N 1 3 385.596 3.854 20 30 GHEDHO C[C@@]12CN(CCCC3(C#N)CCOCC3)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000931225484 1017944593 /nfs/dbraw/zinc/94/45/93/1017944593.db2.gz ULOVMPKXZHRCSE-GOTSBHOMSA-N 1 3 381.564 3.931 20 30 GHEDHO CCc1cccc(NC(=[NH2+])NCCCCN2CCN(c3ccccc3)CC2)c1 ZINC000303911558 1021147974 /nfs/dbraw/zinc/14/79/74/1021147974.db2.gz ZRWSUDJZXVSUDE-UHFFFAOYSA-N 1 3 379.552 3.578 20 30 GHEDHO CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC001203902814 1027696872 /nfs/dbraw/zinc/69/68/72/1027696872.db2.gz LHQXXIOWWQMFNN-HXUWFJFHSA-N 1 3 381.545 3.875 20 30 GHEDHO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001158739075 1034254007 /nfs/dbraw/zinc/25/40/07/1034254007.db2.gz USYHNDWYGVVDDZ-IAGOWNOFSA-N 1 3 393.491 3.666 20 30 GHEDHO C=CCOC(=O)N1CCC2(C[NH+](C[C@H]3CCCN(Cc4ccccc4)C3)C2)CC1 ZINC001208931225 1035095033 /nfs/dbraw/zinc/09/50/33/1035095033.db2.gz ILHOKAUJSXNDJB-QFIPXVFZSA-N 1 3 397.563 3.619 20 30 GHEDHO CN1CCN(Cc2cccc(C[NH2+]Cc3ccc(C(C)(C)C#N)cc3)c2)CC1 ZINC001349839691 1063924538 /nfs/dbraw/zinc/92/45/38/1063924538.db2.gz MUUMOHZSBBJWPH-UHFFFAOYSA-N 1 3 376.548 3.525 20 30 GHEDHO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)c(C#N)c1C ZINC000274828209 835668793 /nfs/dbraw/zinc/66/87/93/835668793.db2.gz LJCIGNNMDKOJTD-WJPUGNRLSA-N 1 3 394.519 3.595 20 30 GHEDHO C[N@H+](CCCN1CCCC1)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000499933299 860214689 /nfs/dbraw/zinc/21/46/89/860214689.db2.gz CKQFCNNKKIGCGR-UHFFFAOYSA-N 1 3 388.581 3.635 20 30 GHEDHO C[N@@H+](CCCN1CCCC1)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000499933299 860214697 /nfs/dbraw/zinc/21/46/97/860214697.db2.gz CKQFCNNKKIGCGR-UHFFFAOYSA-N 1 3 388.581 3.635 20 30 GHEDHO CN(C)/C=N/c1ccc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)cc1C#N ZINC001170753026 892914032 /nfs/dbraw/zinc/91/40/32/892914032.db2.gz YCUMVBYZYIYDLK-BOJFNEGLSA-N 1 3 375.520 3.899 20 30 GHEDHO C=CCOc1ccc(C[NH2+]Cc2cccc(CN3CCN(C)CC3)c2)cc1Cl ZINC001177636794 908683913 /nfs/dbraw/zinc/68/39/13/908683913.db2.gz GPCBJUUGSUTTHB-UHFFFAOYSA-N 1 3 399.966 3.942 20 30 GHEDHO C=CCN1CCC(NC(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000468025876 1015162090 /nfs/dbraw/zinc/16/20/90/1015162090.db2.gz KWBPSPVGBLUWSY-SIKLNZKXSA-N 1 3 386.584 3.702 20 30 GHEDHO C[C@@H](C#C[Si](C)(C)C)Oc1c(CN(C)C)cc(C[NH+](C)C)cc1CN(C)C ZINC001227163076 1032301966 /nfs/dbraw/zinc/30/19/66/1032301966.db2.gz AAWDXRJMHKITEO-SFHVURJKSA-N 1 3 389.660 3.520 20 30 GHEDHO Cc1ccc(C[N@@H+]2CCOC3(CCN(Cc4ccc(F)c(C#N)c4)CC3)C2)cc1 ZINC001205473359 1033428817 /nfs/dbraw/zinc/42/88/17/1033428817.db2.gz WPPYEJFAKOVRDT-UHFFFAOYSA-N 1 3 393.506 3.873 20 30 GHEDHO Cc1ccc(C[N@H+]2CCOC3(CCN(Cc4ccc(F)c(C#N)c4)CC3)C2)cc1 ZINC001205473359 1033428828 /nfs/dbraw/zinc/42/88/28/1033428828.db2.gz WPPYEJFAKOVRDT-UHFFFAOYSA-N 1 3 393.506 3.873 20 30 GHEDHO C#Cc1cccc(C[NH+]2CCC3(C[C@H](COC)N(Cc4ccccn4)C3)CC2)c1 ZINC001231655967 1034813048 /nfs/dbraw/zinc/81/30/48/1034813048.db2.gz WOKRMHGREZLXHR-XMMPIXPASA-N 1 3 389.543 3.566 20 30 GHEDHO C=CCN1C(=O)CCC[C@]12CCCN([C@H]1CC[NH2+][C@H](c3ccc(F)cc3C)C1)C2 ZINC001246709171 1037560751 /nfs/dbraw/zinc/56/07/51/1037560751.db2.gz SFMLZNHAEBHTON-ODGPQVTHSA-N 1 3 399.554 3.960 20 30 GHEDHO COC(=O)c1cccc(CN([C@@H](C)Cc2ccc(C#N)cc2)C2CC[NH2+]CC2)c1 ZINC001246959904 1037778422 /nfs/dbraw/zinc/77/84/22/1037778422.db2.gz UIMFDUIUJKMWIC-SFHVURJKSA-N 1 3 391.515 3.530 20 30 GHEDHO COC(=O)c1cccc(C[N@H+]([C@@H](C)Cc2ccc(C#N)cc2)C2CCNCC2)c1 ZINC001246959904 1037778435 /nfs/dbraw/zinc/77/84/35/1037778435.db2.gz UIMFDUIUJKMWIC-SFHVURJKSA-N 1 3 391.515 3.530 20 30 GHEDHO COC(=O)c1cccc(C[N@@H+]([C@@H](C)Cc2ccc(C#N)cc2)C2CCNCC2)c1 ZINC001246959904 1037778448 /nfs/dbraw/zinc/77/84/48/1037778448.db2.gz UIMFDUIUJKMWIC-SFHVURJKSA-N 1 3 391.515 3.530 20 30 GHEDHO N#CC1(c2ccc(F)cc2)CCC([NH2+][C@H]2CC[C@H](N3CCOCC3)CC2)CC1 ZINC001254349905 1040183044 /nfs/dbraw/zinc/18/30/44/1040183044.db2.gz CKYMYPVJULVCQR-DOBXKQIDSA-N 1 3 385.527 3.763 20 30 GHEDHO C=CCN1CC[C@@]2(C[N@H+]([C@H](C)CCN(CC)CC)C[C@@H]2c2ccccc2)C1=O ZINC001255958928 1041436197 /nfs/dbraw/zinc/43/61/97/1041436197.db2.gz HRPYOBSIKAFUEB-BKULYWANSA-N 1 3 383.580 3.611 20 30 GHEDHO C=CCN1CC[C@@]2(C[N@@H+]([C@H](C)CCN(CC)CC)C[C@@H]2c2ccccc2)C1=O ZINC001255958928 1041436204 /nfs/dbraw/zinc/43/62/04/1041436204.db2.gz HRPYOBSIKAFUEB-BKULYWANSA-N 1 3 383.580 3.611 20 30 GHEDHO C[C@H]([NH2+]CCCCN1CCN(Cc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512637380 844849338 /nfs/dbraw/zinc/84/93/38/844849338.db2.gz VFCJUQKOZKSFEG-FQEVSTJZSA-N 1 3 394.538 3.946 20 30 GHEDHO C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000538397813 845406523 /nfs/dbraw/zinc/40/65/23/845406523.db2.gz XUVLZBXHXTXDLB-BGYRXZFFSA-N 1 3 382.596 3.869 20 30 GHEDHO N#Cc1ccccc1-c1ccc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000594503103 858194175 /nfs/dbraw/zinc/19/41/75/858194175.db2.gz SMDUTLIWXYFJPW-QHCPKHFHSA-N 1 3 375.516 3.958 20 30 GHEDHO CCCC[N@H+](C)CC1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000733997192 863933555 /nfs/dbraw/zinc/93/35/55/863933555.db2.gz SUSZIFKQQQDAEN-GOSISDBHSA-N 1 3 398.576 3.916 20 30 GHEDHO CCCC[N@@H+](C)CC1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)CC1 ZINC000733997192 863933572 /nfs/dbraw/zinc/93/35/72/863933572.db2.gz SUSZIFKQQQDAEN-GOSISDBHSA-N 1 3 398.576 3.916 20 30 GHEDHO N#Cc1ncc(Cl)cc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170528075 885538192 /nfs/dbraw/zinc/53/81/92/885538192.db2.gz GGLSGBZOFHZAJP-UHFFFAOYSA-N 1 3 379.895 3.516 20 30 GHEDHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccc(OCC#N)cc3)C[C@@H]21 ZINC001137119615 893574012 /nfs/dbraw/zinc/57/40/12/893574012.db2.gz ZOPDFVOMNOHBGW-FGCOXFRFSA-N 1 3 390.531 3.716 20 30 GHEDHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3ccc(OCC#N)cc3)C[C@@H]21 ZINC001137119615 893574021 /nfs/dbraw/zinc/57/40/21/893574021.db2.gz ZOPDFVOMNOHBGW-FGCOXFRFSA-N 1 3 390.531 3.716 20 30 GHEDHO C#Cc1ccc(C[NH+]2CCC3(C[C@@H](COC)N(Cc4ccccn4)C3)CC2)cc1 ZINC001144568866 902399165 /nfs/dbraw/zinc/39/91/65/902399165.db2.gz GMJRMBIWRPQDAH-DEOSSOPVSA-N 1 3 389.543 3.566 20 30 GHEDHO C=CCOc1ccc(CN2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1Cl ZINC000678296129 924712421 /nfs/dbraw/zinc/71/24/21/924712421.db2.gz PJYBUCVASXCIKO-UHFFFAOYSA-N 1 3 391.987 3.895 20 30 GHEDHO C=CCN1C(=O)CCC[C@@]12CCCN(C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208942409 1035112108 /nfs/dbraw/zinc/11/21/08/1035112108.db2.gz QCHSPKKUTJKEOD-VWNXMTODSA-N 1 3 381.564 3.542 20 30 GHEDHO C=CCN1C(=O)CCC[C@@]12CCCN(C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208942409 1035112115 /nfs/dbraw/zinc/11/21/15/1035112115.db2.gz QCHSPKKUTJKEOD-VWNXMTODSA-N 1 3 381.564 3.542 20 30 GHEDHO C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3CCN[C@H](CCCC)C3)C2)CC1 ZINC001246526767 1037458641 /nfs/dbraw/zinc/45/86/41/1037458641.db2.gz QXGIMMPYRKNDEF-UXHICEINSA-N 1 3 377.573 3.798 20 30 GHEDHO C=CCOC(=O)N1CCC2(CCC[N@H+]([C@H]3CCN[C@H](CCCC)C3)C2)CC1 ZINC001246526767 1037458671 /nfs/dbraw/zinc/45/86/71/1037458671.db2.gz QXGIMMPYRKNDEF-UXHICEINSA-N 1 3 377.573 3.798 20 30 GHEDHO C=CCOC(=O)N1CCC2(CCCN([C@H]3CC[NH2+][C@H](CCCC)C3)C2)CC1 ZINC001246526767 1037458696 /nfs/dbraw/zinc/45/86/96/1037458696.db2.gz QXGIMMPYRKNDEF-UXHICEINSA-N 1 3 377.573 3.798 20 30 GHEDHO C=CCOC(=O)N1CCCC2(CCN([C@H]3CC[NH2+][C@H](C(C)(C)C)C3)CC2)C1 ZINC001246527433 1037462033 /nfs/dbraw/zinc/46/20/33/1037462033.db2.gz UMWPWKWDUPRPNN-OALUTQOASA-N 1 3 377.573 3.654 20 30 GHEDHO N#Cc1ccc(OC2CCN(Cc3cc4c(s3)CC[NH2+]C4)CC2)cc1Cl ZINC001235969712 1041473972 /nfs/dbraw/zinc/47/39/72/1041473972.db2.gz CHJVONJBXSOPOC-UHFFFAOYSA-N 1 3 387.936 3.962 20 30 GHEDHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001308487598 1049987961 /nfs/dbraw/zinc/98/79/61/1049987961.db2.gz CWGXVNPZLLJORZ-XXBNENTESA-N 1 3 399.542 3.816 20 30 GHEDHO C[NH+]1CCC2(CC1)C[C@@H](NCCOc1ccc(C#N)cc1)c1ccccc1O2 ZINC000540492961 871414393 /nfs/dbraw/zinc/41/43/93/871414393.db2.gz RJKDCKNCASCCSL-OAQYLSRUSA-N 1 3 377.488 3.515 20 30 GHEDHO CN1CCC2(CC1)C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccccc1O2 ZINC000540492961 871414415 /nfs/dbraw/zinc/41/44/15/871414415.db2.gz RJKDCKNCASCCSL-OAQYLSRUSA-N 1 3 377.488 3.515 20 30 GHEDHO C[NH+]1CCC2(CC1)C[C@H](NCCOc1ccc(C#N)cc1)c1ccccc1O2 ZINC000540492960 871414565 /nfs/dbraw/zinc/41/45/65/871414565.db2.gz RJKDCKNCASCCSL-NRFANRHFSA-N 1 3 377.488 3.515 20 30 GHEDHO CN1CCC2(CC1)C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccccc1O2 ZINC000540492960 871414572 /nfs/dbraw/zinc/41/45/72/871414572.db2.gz RJKDCKNCASCCSL-NRFANRHFSA-N 1 3 377.488 3.515 20 30 GHEDHO CO[C@@H]1CC[N@@H+](Cc2cc(C#N)cc(CN3CC[C@H](OC)C[C@@H]3C)c2)[C@H](C)C1 ZINC000878554923 894380708 /nfs/dbraw/zinc/38/07/08/894380708.db2.gz MQDSYNZLIQMJDB-SGNKAXLRSA-N 1 3 385.552 3.557 20 30 GHEDHO CO[C@@H]1CC[N@H+](Cc2cc(C#N)cc(CN3CC[C@H](OC)C[C@@H]3C)c2)[C@H](C)C1 ZINC000878554923 894380723 /nfs/dbraw/zinc/38/07/23/894380723.db2.gz MQDSYNZLIQMJDB-SGNKAXLRSA-N 1 3 385.552 3.557 20 30 GHEDHO CO[C@@H]1CCN(Cc2cc(C#N)cc(C[N@@H+]3CC[C@H](OC)C[C@@H]3C)c2)[C@H](C)C1 ZINC000878554923 894380738 /nfs/dbraw/zinc/38/07/38/894380738.db2.gz MQDSYNZLIQMJDB-SGNKAXLRSA-N 1 3 385.552 3.557 20 30 GHEDHO CO[C@@H]1CCN(Cc2cc(C#N)cc(C[N@H+]3CC[C@H](OC)C[C@@H]3C)c2)[C@H](C)C1 ZINC000878554923 894380749 /nfs/dbraw/zinc/38/07/49/894380749.db2.gz MQDSYNZLIQMJDB-SGNKAXLRSA-N 1 3 385.552 3.557 20 30 GHEDHO CN(CCCC[NH+]1CCCCC1)CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000880517563 895738229 /nfs/dbraw/zinc/73/82/29/895738229.db2.gz SKSUDLYRZFPHBQ-QGZVFWFLSA-N 1 3 384.549 3.670 20 30 GHEDHO C=CCC[C@@H](NCC(=O)NC1CC[NH+](CC)CC1)c1ccc(C(F)(F)F)cc1 ZINC000411477189 926433030 /nfs/dbraw/zinc/43/30/30/926433030.db2.gz CPHIPDVREHLWNY-LJQANCHMSA-N 1 3 397.485 3.903 20 30 GHEDHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000924753398 931524801 /nfs/dbraw/zinc/52/48/01/931524801.db2.gz PFZDPJYKBQRIEL-OALUTQOASA-N 1 3 392.588 3.627 20 30 GHEDHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000924753398 931524808 /nfs/dbraw/zinc/52/48/08/931524808.db2.gz PFZDPJYKBQRIEL-OALUTQOASA-N 1 3 392.588 3.627 20 30 GHEDHO CCCN1CC[C@@H](C[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000924753398 931524818 /nfs/dbraw/zinc/52/48/18/931524818.db2.gz PFZDPJYKBQRIEL-OALUTQOASA-N 1 3 392.588 3.627 20 30 GHEDHO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000926754836 932292133 /nfs/dbraw/zinc/29/21/33/932292133.db2.gz SGZYRXXLAOUTMA-MOPGFXCFSA-N 1 3 392.588 3.627 20 30 GHEDHO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000926754836 932292141 /nfs/dbraw/zinc/29/21/41/932292141.db2.gz SGZYRXXLAOUTMA-MOPGFXCFSA-N 1 3 392.588 3.627 20 30 GHEDHO C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000926754836 932292150 /nfs/dbraw/zinc/29/21/50/932292150.db2.gz SGZYRXXLAOUTMA-MOPGFXCFSA-N 1 3 392.588 3.627 20 30 GHEDHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cc(-c2ccc(F)cc2)sc1C#N ZINC001218542034 1030979398 /nfs/dbraw/zinc/97/93/98/1030979398.db2.gz PHMKDKBGLGFJQN-INIZCTEOSA-N 1 3 388.512 3.860 20 30 GHEDHO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1nccnc1C(C#N)C(=O)OC(C)(C)C ZINC001158739074 1034254492 /nfs/dbraw/zinc/25/44/92/1034254492.db2.gz USYHNDWYGVVDDZ-DLBZAZTESA-N 1 3 393.491 3.666 20 30 GHEDHO C#Cc1cccc(C[NH+]2CCC3(C[C@H](N(C)Cc4cccs4)CO3)CC2)c1 ZINC001231654805 1034811285 /nfs/dbraw/zinc/81/12/85/1034811285.db2.gz FEKJFPSAHZXYQY-NRFANRHFSA-N 1 3 380.557 3.985 20 30 GHEDHO C=CCN(CCN1CCC2(CC[N@H+](Cc3cccs3)C2)CC1)C(=O)OCC ZINC001209019158 1035152186 /nfs/dbraw/zinc/15/21/86/1035152186.db2.gz LDAFJQPTKVEFAE-UHFFFAOYSA-N 1 3 391.581 3.681 20 30 GHEDHO C=CCN(CCN1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1)C(=O)OCC ZINC001209019158 1035152191 /nfs/dbraw/zinc/15/21/91/1035152191.db2.gz LDAFJQPTKVEFAE-UHFFFAOYSA-N 1 3 391.581 3.681 20 30 GHEDHO C=CCOC(=O)N1CCCC2(CCN([C@H]3CC[NH2+][C@H](CCCC)C3)CC2)C1 ZINC001246527778 1037461861 /nfs/dbraw/zinc/46/18/61/1037461861.db2.gz WMVBCRLOKRBPCK-UXHICEINSA-N 1 3 377.573 3.798 20 30 GHEDHO N#Cc1ccc(O[C@@H]2CCC[N@@H+]([C@H]3CCN[C@@H](Cc4ccccc4)C3)C2)cc1 ZINC001246970971 1037793926 /nfs/dbraw/zinc/79/39/26/1037793926.db2.gz XLKNFZJQYDEVTB-WPFOTENUSA-N 1 3 375.516 3.765 20 30 GHEDHO N#Cc1ccc(O[C@@H]2CCC[N@H+]([C@H]3CCN[C@@H](Cc4ccccc4)C3)C2)cc1 ZINC001246970971 1037793944 /nfs/dbraw/zinc/79/39/44/1037793944.db2.gz XLKNFZJQYDEVTB-WPFOTENUSA-N 1 3 375.516 3.765 20 30 GHEDHO COc1cc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)ccc1C#N ZINC001238417772 1042589461 /nfs/dbraw/zinc/58/94/61/1042589461.db2.gz ZFWBIWXKKNHKAG-GOTSBHOMSA-N 1 3 375.516 3.911 20 30 GHEDHO COc1cc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)ccc1C#N ZINC001238417772 1042589462 /nfs/dbraw/zinc/58/94/62/1042589462.db2.gz ZFWBIWXKKNHKAG-GOTSBHOMSA-N 1 3 375.516 3.911 20 30 GHEDHO