smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000161771969 834670710 /nfs/dbraw/zinc/67/07/10/834670710.db2.gz HMQZYMOPBAYYKC-GCJKJVERSA-N 2 0 381.568 3.555 20 30 GHEDRP CC[N@H+](C)Cc1cccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c1 ZINC000160691182 840454634 /nfs/dbraw/zinc/45/46/34/840454634.db2.gz FIXUJMMHRPWCHS-UHFFFAOYSA-N 2 0 380.414 3.964 20 30 GHEDRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CCCO1 ZINC000432370435 842229527 /nfs/dbraw/zinc/22/95/27/842229527.db2.gz ZUEATDJHDSBERA-HXUWFJFHSA-N 2 0 393.531 3.728 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)CC1 ZINC000106260385 843887153 /nfs/dbraw/zinc/88/71/53/843887153.db2.gz ZEMYXHQUKQHMCN-UHFFFAOYSA-N 2 0 398.595 3.758 20 30 GHEDRP C=CCOc1cccc(CN(Cc2nccn2CC)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435433752 850490548 /nfs/dbraw/zinc/49/05/48/850490548.db2.gz PBZSKXSVBCWMBL-OAQYLSRUSA-N 2 0 380.536 3.612 20 30 GHEDRP COc1cccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000262006749 850842120 /nfs/dbraw/zinc/84/21/20/850842120.db2.gz IMQHZHUQMXTRRR-IFXJQAMLSA-N 2 0 390.890 3.907 20 30 GHEDRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000488389730 851452952 /nfs/dbraw/zinc/45/29/52/851452952.db2.gz KRABKFDMJSDJTP-NRFANRHFSA-N 2 0 398.595 3.992 20 30 GHEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc2ccc(C#N)cc2c1C ZINC000550386888 854441937 /nfs/dbraw/zinc/44/19/37/854441937.db2.gz OCFDEZBBFNHPKF-SFHVURJKSA-N 2 0 398.576 3.570 20 30 GHEDRP C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000442922331 858245285 /nfs/dbraw/zinc/24/52/85/858245285.db2.gz KLZLYDQYBPTVPE-AWEZNQCLSA-N 2 0 383.330 3.583 20 30 GHEDRP FC1(F)[C@H]2C[N@H+](CCCC3CC[NH2+]CC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923529325 859398360 /nfs/dbraw/zinc/39/83/60/859398360.db2.gz CVZSNJQBOKKIPW-TXEJJXNPSA-N 2 0 394.350 3.869 20 30 GHEDRP C#CCOc1ccccc1C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856562218 881471763 /nfs/dbraw/zinc/47/17/63/881471763.db2.gz WJYBIMWOUIFRIR-HSZRJFAPSA-N 2 0 393.531 3.587 20 30 GHEDRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000540708510 871948341 /nfs/dbraw/zinc/94/83/41/871948341.db2.gz YTETXUXBYOJGKH-IBGZPJMESA-N 2 0 380.511 3.950 20 30 GHEDRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)C(=O)Nc1cccc(C#N)c1 ZINC000550906959 882846331 /nfs/dbraw/zinc/84/63/31/882846331.db2.gz CQFQRCNVQZZYPC-LJQANCHMSA-N 2 0 390.531 3.907 20 30 GHEDRP C[NH+]1CCN(c2ccc(C[NH2+]CC#Cc3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000771842703 875482993 /nfs/dbraw/zinc/48/29/93/875482993.db2.gz KQZOLEZZGIJRMU-UHFFFAOYSA-N 2 0 387.449 3.599 20 30 GHEDRP N#Cc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000549868361 875731574 /nfs/dbraw/zinc/73/15/74/875731574.db2.gz UYRMCJARNYRWCJ-IBGZPJMESA-N 2 0 381.545 3.638 20 30 GHEDRP COc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1C#N ZINC000850402195 876883240 /nfs/dbraw/zinc/88/32/40/876883240.db2.gz GIKCEJMLBYPOLL-QFIPXVFZSA-N 2 0 375.516 3.959 20 30 GHEDRP N#CCOc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001137124174 893718251 /nfs/dbraw/zinc/71/82/51/893718251.db2.gz SNZGAOBHYGBPRR-DHIUTWEWSA-N 2 0 375.516 3.933 20 30 GHEDRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCCC3(C#N)CCOCC3)C2)s1 ZINC000565047203 895368307 /nfs/dbraw/zinc/36/83/07/895368307.db2.gz CXTLOPJRDWSNLF-LJQANCHMSA-N 2 0 375.582 3.911 20 30 GHEDRP C[C@@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000883343136 897511387 /nfs/dbraw/zinc/51/13/87/897511387.db2.gz AOPDHQCVUGPSJN-HXUWFJFHSA-N 2 0 393.531 3.657 20 30 GHEDRP [NH2+]=C(Nc1ccc([C@]23CC[NH2+][C@H]2COCC3)cc1)c1ccc2cc(O)ccc2c1 ZINC001171185321 902208960 /nfs/dbraw/zinc/20/89/60/902208960.db2.gz UYKPBQTZRKEQBY-LADGPHEKSA-N 2 0 387.483 3.602 20 30 GHEDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCCc4cc(C#N)ccc43)cn2)CC1 ZINC000578271801 903677305 /nfs/dbraw/zinc/67/73/05/903677305.db2.gz HOIDNELXICYZIY-HSZRJFAPSA-N 2 0 389.547 3.652 20 30 GHEDRP CC[NH+](CC)C1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172982114 906049240 /nfs/dbraw/zinc/04/92/40/906049240.db2.gz UABYMCQKFZTFFX-CHPDAQJUSA-N 2 0 378.561 3.521 20 30 GHEDRP C[NH+]1CCN(c2ccc(NC3=CCC[N@H+](Cc4ccccc4)C3)cc2C#N)CC1 ZINC001174395938 907000978 /nfs/dbraw/zinc/00/09/78/907000978.db2.gz APPIMXHOYOBNMR-UHFFFAOYSA-N 2 0 387.531 3.512 20 30 GHEDRP C[NH+]1CCN(c2ccc(NC3=CC[N@H+](Cc4ccccc4)CC3)cc2C#N)CC1 ZINC001175506089 907593463 /nfs/dbraw/zinc/59/34/63/907593463.db2.gz NRNPHUKUPVWNMI-UHFFFAOYSA-N 2 0 387.531 3.512 20 30 GHEDRP CC[C@H](C)c1ccc(NC(=[NH2+])NCc2ccc(N3CC[NH+](CC)CC3)nc2)cc1 ZINC000303898576 915302212 /nfs/dbraw/zinc/30/22/12/915302212.db2.gz RDFCBKMTNPWKJC-SFHVURJKSA-N 2 0 394.567 3.664 20 30 GHEDRP Cc1ccc(NC(=[NH2+])NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1C ZINC000303906052 915307517 /nfs/dbraw/zinc/30/75/17/915307517.db2.gz VVDCFTJUKBWYBC-OALUTQOASA-N 2 0 380.536 3.839 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1OCC ZINC000470018736 930319755 /nfs/dbraw/zinc/31/97/55/930319755.db2.gz QEDHRUPOYIVVCW-CQSZACIVSA-N 2 0 397.357 3.972 20 30 GHEDRP CC(C)[NH+]1CCC([NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000925304098 931737854 /nfs/dbraw/zinc/73/78/54/931737854.db2.gz RCOJVEDXJASLDM-SFHVURJKSA-N 2 0 392.588 3.768 20 30 GHEDRP C=CCCCCC[C@H]([NH3+])C(=O)NC1CC[NH+](CCc2c[nH]c3ccccc23)CC1 ZINC001220525464 1031977184 /nfs/dbraw/zinc/97/71/84/1031977184.db2.gz FJVCHPNIWGHDPQ-QFIPXVFZSA-N 2 0 396.579 3.755 20 30 GHEDRP N#Cc1cc(Nc2ccc(C[NH+]3CCCCC3)cc2)ccc1N1CC[NH2+]CC1 ZINC001159742800 1034731134 /nfs/dbraw/zinc/73/11/34/1034731134.db2.gz OPRDQZNJKJGCHC-UHFFFAOYSA-N 2 0 375.520 3.697 20 30 GHEDRP C[NH+]1CCC(COc2c(F)cccc2Nc2cc(C#N)cc(C3C[NH2+]C3)c2)CC1 ZINC001160187456 1034895034 /nfs/dbraw/zinc/89/50/34/1034895034.db2.gz JJJXIHQZWKRSRK-UHFFFAOYSA-N 2 0 394.494 3.848 20 30 GHEDRP C=CCN1C(=O)CC[C@@]12CCC[N@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC001208947531 1035117290 /nfs/dbraw/zinc/11/72/90/1035117290.db2.gz UCENMZLPVBLTIR-ISKFKSNPSA-N 2 0 381.564 3.542 20 30 GHEDRP N#Cc1ccc(O[C@H]2CCC[N@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001208956573 1035130584 /nfs/dbraw/zinc/13/05/84/1035130584.db2.gz BPJQGTGNHICVFS-UPVQGACJSA-N 2 0 375.516 3.924 20 30 GHEDRP C=CC[N@@H+](CCc1ccco1)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001461998067 1069935925 /nfs/dbraw/zinc/93/59/25/1069935925.db2.gz IIGLYDRYILLHRC-UHFFFAOYSA-N 2 0 378.419 3.893 20 30 GHEDRP C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc(-n4ccnc4)c(Cl)c3)C2)C1=O ZINC001236902798 1041947955 /nfs/dbraw/zinc/94/79/55/1041947955.db2.gz JFDISHWLYITJSM-OAQYLSRUSA-N 2 0 384.911 3.526 20 30 GHEDRP COCC[N@@H+]1CCC[C@H]1C[NH+]=C(NCc1ccc(C)cc1)Nc1ccccc1 ZINC000849074994 1057582180 /nfs/dbraw/zinc/58/21/80/1057582180.db2.gz XGRUNKUNJASODZ-QFIPXVFZSA-N 2 0 380.536 3.664 20 30 GHEDRP COc1cc(C#N)ccc1OCC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001459665895 1064159963 /nfs/dbraw/zinc/15/99/63/1064159963.db2.gz DHZCDXKCXSHYOE-IBGZPJMESA-N 2 0 385.552 3.922 20 30 GHEDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000158974125 839525652 /nfs/dbraw/zinc/52/56/52/839525652.db2.gz NRSAYMCWYKNNDQ-QGZVFWFLSA-N 2 0 388.581 3.925 20 30 GHEDRP N#Cc1cccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000555612574 861415516 /nfs/dbraw/zinc/41/55/16/861415516.db2.gz UFJMSTDDHCFTFM-QHCPKHFHSA-N 2 0 375.516 3.577 20 30 GHEDRP C[C@@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512637381 844849028 /nfs/dbraw/zinc/84/90/28/844849028.db2.gz VFCJUQKOZKSFEG-HXUWFJFHSA-N 2 0 394.538 3.946 20 30 GHEDRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512655853 844920298 /nfs/dbraw/zinc/92/02/98/844920298.db2.gz WWYOUDDSWQSXRP-LJQANCHMSA-N 2 0 380.511 3.950 20 30 GHEDRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccc(C#N)c(F)c3)CC2)c1 ZINC000421335764 846167854 /nfs/dbraw/zinc/16/78/54/846167854.db2.gz ULTPILMZNCNXNY-UHFFFAOYSA-N 2 0 380.511 3.698 20 30 GHEDRP C#CCOc1ccccc1C[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000063319660 855903811 /nfs/dbraw/zinc/90/38/11/855903811.db2.gz OROVMERVCMJZNQ-UHFFFAOYSA-N 2 0 378.516 3.709 20 30 GHEDRP COc1ccc(C[NH+](C)C)cc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000542831132 856062293 /nfs/dbraw/zinc/06/22/93/856062293.db2.gz CSCBFOYAUVVYNU-UHFFFAOYSA-N 2 0 378.520 3.705 20 30 GHEDRP C[NH+](C)CCC[C@@H]1CN(Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000597248079 859392503 /nfs/dbraw/zinc/39/25/03/859392503.db2.gz LHQXZBHAKQFHSS-XMMPIXPASA-N 2 0 393.531 3.680 20 30 GHEDRP C[NH+](C)CCC[C@H]1CN(Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000597248308 859392729 /nfs/dbraw/zinc/39/27/29/859392729.db2.gz PVCVEYNRHCROKV-DEOSSOPVSA-N 2 0 393.531 3.680 20 30 GHEDRP CC(C)([NH3+])c1ccc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000904602470 860529158 /nfs/dbraw/zinc/52/91/58/860529158.db2.gz PVBAWUMABIVZMC-UHFFFAOYSA-N 2 0 391.519 3.538 20 30 GHEDRP [NH2+]=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCOc2ccccc21 ZINC000262277862 860973273 /nfs/dbraw/zinc/97/32/73/860973273.db2.gz IKGMEERVMRFURS-IFMALSPDSA-N 2 0 392.547 3.717 20 30 GHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)CC1 ZINC000181630287 871293888 /nfs/dbraw/zinc/29/38/88/871293888.db2.gz FVEOUDJJYNXPJP-INIZCTEOSA-N 2 0 384.474 3.829 20 30 GHEDRP CC[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000447533285 871794693 /nfs/dbraw/zinc/79/46/93/871794693.db2.gz ZQJAEZYSFLIAQB-RPWUZVMVSA-N 2 0 376.548 3.978 20 30 GHEDRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540707102 871946615 /nfs/dbraw/zinc/94/66/15/871946615.db2.gz OXHKCXIMSWVNSA-FDDCHVKYSA-N 2 0 380.511 3.727 20 30 GHEDRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540707105 871946780 /nfs/dbraw/zinc/94/67/80/871946780.db2.gz OXHKCXIMSWVNSA-JPYJTQIMSA-N 2 0 380.511 3.727 20 30 GHEDRP CC(=O)Nc1ccc(CN2CCC([NH2+][C@@H](C)c3ccc(C#N)c(F)c3)CC2)cc1 ZINC000453324832 880796842 /nfs/dbraw/zinc/79/68/42/880796842.db2.gz LICPRXXKPFFMDW-INIZCTEOSA-N 2 0 394.494 3.971 20 30 GHEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)[C@H](C)C1 ZINC000536867404 884245747 /nfs/dbraw/zinc/24/57/47/884245747.db2.gz DFWGISXQQMUUJL-SDXIKQIGSA-N 2 0 399.579 3.975 20 30 GHEDRP N#Cc1ccccc1-c1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000103482202 885012420 /nfs/dbraw/zinc/01/24/20/885012420.db2.gz YPJRFWKCVXCNAK-UHFFFAOYSA-N 2 0 375.516 3.769 20 30 GHEDRP N#CCc1c(F)cccc1-n1cc(CC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC001170527910 885538053 /nfs/dbraw/zinc/53/80/53/885538053.db2.gz CTYSERIUFQCGBP-UHFFFAOYSA-N 2 0 376.479 3.801 20 30 GHEDRP CC(C)(C)OC(=O)N1CC[NH+](C2CCC([NH2+]Cc3cccc(C#N)c3)CC2)CC1 ZINC000812802859 890999676 /nfs/dbraw/zinc/99/96/76/890999676.db2.gz XIYPYFLVHOEBSH-UHFFFAOYSA-N 2 0 398.551 3.512 20 30 GHEDRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cn(CCC#N)nc1-c1ccccc1)CC2 ZINC000877685196 893762052 /nfs/dbraw/zinc/76/20/52/893762052.db2.gz PJPMRGJUHWBMLR-UHFFFAOYSA-N 2 0 377.536 3.772 20 30 GHEDRP CO[C@@H]1CC[NH+](Cc2cc(C#N)cc(C[N@H+]3CC[C@H](OC)C[C@H]3C)c2)[C@H](C)C1 ZINC000878554921 894379973 /nfs/dbraw/zinc/37/99/73/894379973.db2.gz MQDSYNZLIQMJDB-GGILJOMBSA-N 2 0 385.552 3.557 20 30 GHEDRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)CC1 ZINC000290580593 914741492 /nfs/dbraw/zinc/74/14/92/914741492.db2.gz UOKKLWUCMJFCEG-OAQYLSRUSA-N 2 0 377.536 3.627 20 30 GHEDRP C[C@H](CCCC#N)[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCc2ccccn2)C1 ZINC001172496092 905597379 /nfs/dbraw/zinc/59/73/79/905597379.db2.gz XHGDCGOHNSRCQC-KIFXHHALSA-N 2 0 396.579 3.714 20 30 GHEDRP CCCCCCC[C@H](CCC)[N@@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001172511571 905605322 /nfs/dbraw/zinc/60/53/22/905605322.db2.gz UFAKVHNNNWZOSE-SFHVURJKSA-N 2 0 392.588 3.853 20 30 GHEDRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](C1CCC(CC#N)CC1)CC2 ZINC001173336225 906380318 /nfs/dbraw/zinc/38/03/18/906380318.db2.gz SEIWAUAYEPHVAD-SDVLMSEASA-N 2 0 396.579 3.857 20 30 GHEDRP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC001175690588 907696954 /nfs/dbraw/zinc/69/69/54/907696954.db2.gz ZUVCAADYIRKVSR-FUHYEJFZSA-N 2 0 376.589 3.504 20 30 GHEDRP C=CC[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)c1ccncc1 ZINC001177885719 908783029 /nfs/dbraw/zinc/78/30/29/908783029.db2.gz SHUKSQCKURIPKC-QGZVFWFLSA-N 2 0 375.419 3.872 20 30 GHEDRP CC1CC[NH+]([C@@H](CNC(=[NH2+])NCCc2cccs2)c2cccs2)CC1 ZINC000303773491 915120834 /nfs/dbraw/zinc/12/08/34/915120834.db2.gz FHXOALUQZAZRFZ-KRWDZBQOSA-N 2 0 376.595 3.730 20 30 GHEDRP CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2ccc(N3CC[NH+](CC)CC3)nc2)cc1 ZINC000303898575 915301981 /nfs/dbraw/zinc/30/19/81/915301981.db2.gz RDFCBKMTNPWKJC-GOSISDBHSA-N 2 0 394.567 3.664 20 30 GHEDRP CC1CC[NH+](Cc2ccccc2CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CC1 ZINC000304473259 915516731 /nfs/dbraw/zinc/51/67/31/915516731.db2.gz FXVYKULEISJDNG-JOCHJYFZSA-N 2 0 392.547 3.847 20 30 GHEDRP C[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccc(OCC#N)cc1 ZINC000375314226 928156753 /nfs/dbraw/zinc/15/67/53/928156753.db2.gz RZZWNXWPFUUYAI-SFHVURJKSA-N 2 0 379.504 3.913 20 30 GHEDRP CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)ccc1OC ZINC000784543025 931930291 /nfs/dbraw/zinc/93/02/91/931930291.db2.gz XQARHHJIFJYSHM-FQEVSTJZSA-N 2 0 391.475 3.555 20 30 GHEDRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)CCCC3(C#N)CCOCC3)cc2)C[C@H](C)O1 ZINC000930861787 934278198 /nfs/dbraw/zinc/27/81/98/934278198.db2.gz MCSZDEXEYDLUKE-OYRHEFFESA-N 2 0 399.579 3.828 20 30 GHEDRP N#Cc1cnc(Cl)cc1NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001155357747 1032516415 /nfs/dbraw/zinc/51/64/15/1032516415.db2.gz JMFXHQLDKGAZOJ-IBGZPJMESA-N 2 0 395.938 3.520 20 30 GHEDRP C=CCOC(=O)N1CCCC2(CC[NH+](CCC[NH2+]C3CCCCC3)CC2)C1 ZINC001204848581 1033120136 /nfs/dbraw/zinc/12/01/36/1033120136.db2.gz NWUSVMYCDNCKIR-UHFFFAOYSA-N 2 0 377.573 3.799 20 30 GHEDRP C#CC[NH+]1CCC(C(=O)N(CCC[NH+]2CCCC2)c2ccc(Cl)cc2)CC1 ZINC000839446077 1025935168 /nfs/dbraw/zinc/93/51/68/1025935168.db2.gz VXUKLRQYBZNDLV-UHFFFAOYSA-N 2 0 387.955 3.504 20 30 GHEDRP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4cccc(C#N)c4)CC3)C2)cc1 ZINC001203762027 1027583375 /nfs/dbraw/zinc/58/33/75/1027583375.db2.gz JVTGNPSLRVRMSV-UHFFFAOYSA-N 2 0 375.516 3.734 20 30 GHEDRP N#Cc1cc(-c2ccc(C[NH+]3CCC([NH3+])CC3)cc2)ccc1OC1CCOCC1 ZINC001245307334 1036867439 /nfs/dbraw/zinc/86/74/39/1036867439.db2.gz LILKCMOTHQJBIA-UHFFFAOYSA-N 2 0 391.515 3.706 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]C1CC2(C[NH2+]C2)C1 ZINC001245983386 1037107813 /nfs/dbraw/zinc/10/78/13/1037107813.db2.gz FWTJOWIKCOWBEX-QFIPXVFZSA-N 2 0 398.632 3.643 20 30 GHEDRP C=CCN1CC[C@@]2(C[N@H+](C3C[C@@H](CC)[NH2+][C@H](CC)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246705180 1037558129 /nfs/dbraw/zinc/55/81/29/1037558129.db2.gz XLWAIFCRRKMATD-VLOWTAQSSA-N 2 0 395.591 3.800 20 30 GHEDRP C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CC[NH2+][C@@H](Cc3ccccc3)C1)[C@@H]2CC ZINC001246755188 1037595053 /nfs/dbraw/zinc/59/50/53/1037595053.db2.gz HPLXBNSQGGEXKK-KBOSCXGNSA-N 2 0 395.591 3.771 20 30 GHEDRP N#CC1(c2ccc(F)cc2)CCC([NH+]2CCC([NH3+])(Cc3ccccn3)CC2)CC1 ZINC001254351097 1040184391 /nfs/dbraw/zinc/18/43/91/1040184391.db2.gz SDZFLWGWGFCBCL-UHFFFAOYSA-N 2 0 392.522 3.961 20 30 GHEDRP C=CCN(CC[N@H+](Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1)C(=O)OCC ZINC001236534257 1041755607 /nfs/dbraw/zinc/75/56/07/1041755607.db2.gz ULTOZQWUUQQLGE-WGSAOQKQSA-N 2 0 377.504 3.542 20 30 GHEDRP C#CCOc1ccc(C[N@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)cc1OC ZINC001236681924 1041828337 /nfs/dbraw/zinc/82/83/37/1041828337.db2.gz LJSRYAWLMDXAHW-HZCBDIJESA-N 2 0 378.516 3.979 20 30 GHEDRP N#Cc1cccc(C[N@H+](C2CCN(c3cc[nH+]cc3)CC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001256854400 1043703313 /nfs/dbraw/zinc/70/33/13/1043703313.db2.gz PMNCYUWREVVVSF-AFARHQOCSA-N 3 0 389.547 3.694 20 30 GHEDRP N#CC1(C[C@H](O)C[NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)CCC1 ZINC001460315636 1068921356 /nfs/dbraw/zinc/92/13/56/1068921356.db2.gz SZBWIXIVVRERHX-QFIPXVFZSA-N 2 0 381.564 3.809 20 30 GHEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180053345 836963623 /nfs/dbraw/zinc/96/36/23/836963623.db2.gz NYFVRTHODNCAPC-KDURUIRLSA-N 2 0 379.552 3.806 20 30 GHEDRP N#Cc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1F ZINC000421385810 846201322 /nfs/dbraw/zinc/20/13/22/846201322.db2.gz RCAAFMAUKQLEPC-QFIPXVFZSA-N 2 0 393.506 3.716 20 30 GHEDRP N#Cc1ccccc1CSCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000591570975 856156772 /nfs/dbraw/zinc/15/67/72/856156772.db2.gz MWMUWKRTVSNJHZ-UNMCSNQZSA-N 2 0 379.529 3.637 20 30 GHEDRP Cc1ccccc1[C@H]1C[C@H](NC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000262203521 859048228 /nfs/dbraw/zinc/04/82/28/859048228.db2.gz SMTDPFCOOAPPJI-AQYVVDRMSA-N 2 0 376.548 3.810 20 30 GHEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000611392094 859734860 /nfs/dbraw/zinc/73/48/60/859734860.db2.gz KWADPEOTIAVADK-DEOSSOPVSA-N 2 0 375.516 3.682 20 30 GHEDRP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000611497738 859785514 /nfs/dbraw/zinc/78/55/14/859785514.db2.gz FTYHQIAHNQFYKL-QFIPXVFZSA-N 2 0 399.542 3.961 20 30 GHEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170398106 881531643 /nfs/dbraw/zinc/53/16/43/881531643.db2.gz LYHRKSYWVSPFGR-UHFFFAOYSA-N 2 0 392.591 3.682 20 30 GHEDRP CN1CCC[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000598719736 860527808 /nfs/dbraw/zinc/52/78/08/860527808.db2.gz KTKTWMPOZRPCMO-BHIYHBOVSA-N 2 0 397.485 3.979 20 30 GHEDRP [NH2+]=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000262840693 882258261 /nfs/dbraw/zinc/25/82/61/882258261.db2.gz ULIKKGRFXNQXCT-LEWJYISDSA-N 2 0 382.939 3.765 20 30 GHEDRP C[C@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000540597032 871663023 /nfs/dbraw/zinc/66/30/23/871663023.db2.gz JLYYOOSKWFKFFM-NRFANRHFSA-N 2 0 376.548 3.807 20 30 GHEDRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540707107 871946297 /nfs/dbraw/zinc/94/62/97/871946297.db2.gz OXHKCXIMSWVNSA-MBSDFSHPSA-N 2 0 380.511 3.727 20 30 GHEDRP C#CCOc1ccccc1C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768668705 873493895 /nfs/dbraw/zinc/49/38/95/873493895.db2.gz ANBCBQYZRZGMBA-UHFFFAOYSA-N 2 0 389.543 3.520 20 30 GHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCOc2ccccc2C#N)CC1 ZINC000538210230 879063510 /nfs/dbraw/zinc/06/35/10/879063510.db2.gz DLWZZCHFLHTCOG-SFHVURJKSA-N 2 0 396.510 3.569 20 30 GHEDRP C#CCCOc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1 ZINC000113336520 880518496 /nfs/dbraw/zinc/51/84/96/880518496.db2.gz QCRYIZJXZQIJQL-LJQANCHMSA-N 2 0 395.522 3.830 20 30 GHEDRP COc1ccc([C@@H](C)[NH2+]CC#CC[NH2+][C@@H](C)c2ccc(OC)c(F)c2)cc1F ZINC000556502035 885182977 /nfs/dbraw/zinc/18/29/77/885182977.db2.gz QLKDWHGFXHQCOL-IYBDPMFKSA-N 2 0 388.458 3.987 20 30 GHEDRP N#CC1(c2ccnc(-n3cc(CC[NH+]4CCC([NH3+])CC4)c4ccccc43)c2)CC1 ZINC001170526123 885484527 /nfs/dbraw/zinc/48/45/27/885484527.db2.gz PZVFSCFEXAJDFM-UHFFFAOYSA-N 2 0 385.515 3.546 20 30 GHEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(N3CC[NH+](CC4CC4)CC3)cc1)CC2 ZINC000810228495 888305697 /nfs/dbraw/zinc/30/56/97/888305697.db2.gz GRMXHEJMKHMGAN-VWLOTQADSA-N 2 0 386.543 3.867 20 30 GHEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]C[C@@H](O)c3ccc(C#N)cc3)cc2)C1 ZINC000763230225 888365223 /nfs/dbraw/zinc/36/52/23/888365223.db2.gz GMZJLBBSEZYWGC-YDIMBITNSA-N 2 0 377.532 3.859 20 30 GHEDRP N#Cc1ccc(N2CCC([NH2+]C[C@@H]3CC[N@H+](CCc4ccccc4)C3)CC2)cc1 ZINC000565132834 895413886 /nfs/dbraw/zinc/41/38/86/895413886.db2.gz GJXHWCJUZRMHQX-QHCPKHFHSA-N 2 0 388.559 3.681 20 30 GHEDRP C[NH+](C)CCOc1cnccc1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000570757715 899563771 /nfs/dbraw/zinc/56/37/71/899563771.db2.gz LJRGPLPVVMWHDM-UHFFFAOYSA-N 2 0 378.520 3.516 20 30 GHEDRP [NH2+]=C(Nc1ccc(COC2CC[NH2+]CC2)cc1)c1ccc2cc(O)ccc2c1 ZINC001171182772 902175032 /nfs/dbraw/zinc/17/50/32/902175032.db2.gz SKDMNSITHKFEDH-UHFFFAOYSA-N 2 0 375.472 3.851 20 30 GHEDRP CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000303877567 915237095 /nfs/dbraw/zinc/23/70/95/915237095.db2.gz IRPKALVYPCJGPU-FQEVSTJZSA-N 2 0 380.536 3.765 20 30 GHEDRP CCc1cccc(NC(=[NH2+])NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000305723663 916302374 /nfs/dbraw/zinc/30/23/74/916302374.db2.gz FEUBXUKAHADUKF-UHFFFAOYSA-N 2 0 391.563 3.708 20 30 GHEDRP N#Cc1ccc(N2CCC([NH2+][C@@H](CCCC[NH3+])c3ccc(F)cc3F)CC2)nc1 ZINC000902364823 922128115 /nfs/dbraw/zinc/12/81/15/922128115.db2.gz VLNRBEVAJPNQAG-NRFANRHFSA-N 2 0 399.489 3.660 20 30 GHEDRP C[N@@H+]1CC[C@H](CNC(=[NH2+])NCCc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000305679201 1021166287 /nfs/dbraw/zinc/16/62/87/1021166287.db2.gz MJMBHPZCCVSFCZ-XLIONFOSSA-N 2 0 388.918 3.619 20 30 GHEDRP N#Cc1cnc(NCCC[NH2+]CCCC[NH3+])c2cc(-c3ccccc3)sc21 ZINC001162292390 1025704347 /nfs/dbraw/zinc/70/43/47/1025704347.db2.gz NNUGORFIJASCRV-UHFFFAOYSA-N 2 0 379.533 3.965 20 30 GHEDRP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3csc(C#N)c3)cc2)C[C@@H]1C ZINC001461399700 1069533862 /nfs/dbraw/zinc/53/38/62/1069533862.db2.gz IHUHQRCLTNAEJW-ROUUACIJSA-N 2 0 383.561 3.919 20 30 GHEDRP CC(C)C[NH2+]Cc1ccc(Nc2ccc(N3CC[NH+](C)CC3)c(C#N)c2)cc1 ZINC001215745641 1029377919 /nfs/dbraw/zinc/37/79/19/1029377919.db2.gz ZVTXLJBIUWEPTL-UHFFFAOYSA-N 2 0 377.536 3.799 20 30 GHEDRP N#Cc1ccc(Oc2ccc(C[N@@H+]3CCOCC4(CC[NH2+]CC4)C3)cc2)cc1 ZINC001222407910 1030112593 /nfs/dbraw/zinc/11/25/93/1030112593.db2.gz RLLSODFRZUPBPX-UHFFFAOYSA-N 2 0 377.488 3.553 20 30 GHEDRP C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)CC2 ZINC001208934172 1035098830 /nfs/dbraw/zinc/09/88/30/1035098830.db2.gz HWTQNLBPBFOUER-ZCYQVOJMSA-N 2 0 395.591 3.932 20 30 GHEDRP N#Cc1cccc(O[C@@H]2CCC[N@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001208954994 1035127257 /nfs/dbraw/zinc/12/72/57/1035127257.db2.gz XOFCYHOZJBMLOH-LADGPHEKSA-N 2 0 375.516 3.924 20 30 GHEDRP N#C[C@]1(NC2CCC([NH+](Cc3ccccc3)Cc3ccccc3)CC2)CC[NH2+]C1 ZINC001246192902 1037231158 /nfs/dbraw/zinc/23/11/58/1037231158.db2.gz DDDJJDHLHKBIME-DDJHWDJXSA-N 2 0 388.559 3.845 20 30 GHEDRP COC(=O)c1ccc(C(=[NH2+])N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001246303705 1037286084 /nfs/dbraw/zinc/28/60/84/1037286084.db2.gz ICBCTTDQKTVKEB-KOUNCHBCSA-N 2 0 391.515 3.764 20 30 GHEDRP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3C[C@@H](CC)[NH2+][C@@H](CC)C3)C2)CC1 ZINC001246525856 1037457072 /nfs/dbraw/zinc/45/70/72/1037457072.db2.gz LYWXDCFNGQCNKJ-ACDBMABISA-N 2 0 377.573 3.796 20 30 GHEDRP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2cccc(C#N)n2)CC3)c1 ZINC001232924175 1038712303 /nfs/dbraw/zinc/71/23/03/1038712303.db2.gz SOYUUXCHIXICQZ-UHFFFAOYSA-N 2 0 390.531 3.840 20 30 GHEDRP COCCC[N@H+](Cc1ccc(N(C)c2ccc(C#N)cc2)cc1)C1CC[NH2+]CC1 ZINC001235937821 1041443176 /nfs/dbraw/zinc/44/31/76/1041443176.db2.gz RCQTXPCYHRRLOC-UHFFFAOYSA-N 2 0 392.547 3.917 20 30 GHEDRP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001235968991 1041473204 /nfs/dbraw/zinc/47/32/04/1041473204.db2.gz MWGOFRUNLHBGPZ-IBGZPJMESA-N 2 0 396.560 3.834 20 30 GHEDRP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001235970022 1041475284 /nfs/dbraw/zinc/47/52/84/1041475284.db2.gz XMTJWGZFTLDBOM-HXUWFJFHSA-N 2 0 396.560 3.834 20 30 GHEDRP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001236583632 1041767762 /nfs/dbraw/zinc/76/77/62/1041767762.db2.gz YYSAUWDMEHRPCA-FQEVSTJZSA-N 2 0 396.560 3.834 20 30 GHEDRP C/C(NC1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001257582471 1044067297 /nfs/dbraw/zinc/06/72/97/1044067297.db2.gz ATUWWIWSMNMJPI-HOTGVXAUSA-N 2 0 388.556 3.830 20 30 GHEDRP C=C1C[C@@H]2CC([N@@H+]3CC[C@@H]4C[NH+](Cc5ccncc5)CCO[C@@H]4C3)C[C@H](C1)C2 ZINC001257893280 1044249238 /nfs/dbraw/zinc/24/92/38/1044249238.db2.gz PPCGRGFSRXCFDD-ZVFPPSPPSA-N 2 0 381.564 3.739 20 30 GHEDRP Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CC(=O)NC4CC[NH+](C5CC5)CC4)C3)nc2c1 ZINC000329281861 861244989 /nfs/dbraw/zinc/24/49/89/861244989.db2.gz KTHISSOOVZBTBL-QGZVFWFLSA-N 2 0 395.551 3.634 20 30 GHEDRP C#C[C@@H](NC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000262291277 849827279 /nfs/dbraw/zinc/82/72/79/849827279.db2.gz BUGUDWJTPKXCJA-OAQYLSRUSA-N 2 0 380.923 3.583 20 30 GHEDRP C#C[C@H](NC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000262291275 849827606 /nfs/dbraw/zinc/82/76/06/849827606.db2.gz BUGUDWJTPKXCJA-NRFANRHFSA-N 2 0 380.923 3.583 20 30 GHEDRP C=CCOc1c(Br)cc(CNC2(C)CC[NH2+]CC2)cc1OCC ZINC000414942204 852742804 /nfs/dbraw/zinc/74/28/04/852742804.db2.gz MIERDJVVSVYLDF-UHFFFAOYSA-N 2 0 383.330 3.644 20 30 GHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000765781657 854813740 /nfs/dbraw/zinc/81/37/40/854813740.db2.gz WHOHKTDCTBDTMY-GOSISDBHSA-N 2 0 379.976 3.742 20 30 GHEDRP C=CC[C@@H]1N(C(=O)C2CC[NH+](C3CCN(CC)CC3)CC2)CCCC1(C)C ZINC000574098951 857245147 /nfs/dbraw/zinc/24/51/47/857245147.db2.gz SGUZPNOCJLFZTQ-NRFANRHFSA-N 2 0 375.601 3.776 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2OCC[NH+](CC)CC)CC1 ZINC000521588463 858151739 /nfs/dbraw/zinc/15/17/39/858151739.db2.gz CCBWAWFVUNQPJK-UHFFFAOYSA-N 2 0 388.556 3.569 20 30 GHEDRP C=CCOc1ccccc1C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856553586 881381909 /nfs/dbraw/zinc/38/19/09/881381909.db2.gz DCQSXJYMXVDCHF-JOCHJYFZSA-N 2 0 381.520 3.751 20 30 GHEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000602718355 860228972 /nfs/dbraw/zinc/22/89/72/860228972.db2.gz NIQNJKLIEMBZQO-IFMALSPDSA-N 2 0 381.564 3.977 20 30 GHEDRP C#CCOc1ccccc1C[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000073803769 860884311 /nfs/dbraw/zinc/88/43/11/860884311.db2.gz LYQYSZHZOKSQGC-PMACEKPBSA-N 2 0 378.516 3.598 20 30 GHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(OC)c(C#N)c2)CC1 ZINC000174353268 865759154 /nfs/dbraw/zinc/75/91/54/865759154.db2.gz BIGWBNNLIFPGME-KRWDZBQOSA-N 2 0 396.510 3.699 20 30 GHEDRP CC[N@H+](C)Cc1cccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000181696684 871400848 /nfs/dbraw/zinc/40/08/48/871400848.db2.gz YZNSEAWLKCDMBG-UHFFFAOYSA-N 2 0 376.548 3.764 20 30 GHEDRP CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000103174009 871419865 /nfs/dbraw/zinc/41/98/65/871419865.db2.gz VVMUPOVQYHOWLH-QHCPKHFHSA-N 2 0 376.548 3.691 20 30 GHEDRP CCC1(C[NH2+]Cc2cnc3ccc(C#N)cn23)CC[NH+](Cc2ccccc2)CC1 ZINC000538427742 879462510 /nfs/dbraw/zinc/46/25/10/879462510.db2.gz OYPPQUUDFMBGOC-UHFFFAOYSA-N 2 0 387.531 3.988 20 30 GHEDRP Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c1C ZINC000123277485 883326586 /nfs/dbraw/zinc/32/65/86/883326586.db2.gz ASYAJNBUVLIZQM-UHFFFAOYSA-N 2 0 384.568 3.604 20 30 GHEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000817918362 895960662 /nfs/dbraw/zinc/96/06/62/895960662.db2.gz LGDQKXIDSHTWIG-JZWVFAODSA-N 2 0 377.488 3.713 20 30 GHEDRP C[C@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000883343564 897510966 /nfs/dbraw/zinc/51/09/66/897510966.db2.gz RHMPSCCRUFEBCQ-SFHVURJKSA-N 2 0 381.495 3.765 20 30 GHEDRP CN(CCC#N)c1ccc(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)cc1 ZINC000264035546 902793533 /nfs/dbraw/zinc/79/35/33/902793533.db2.gz CBJJQUJUAKOGBH-UHFFFAOYSA-N 2 0 380.536 3.657 20 30 GHEDRP C=C(C)COc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ccc1OC ZINC000180996976 906892766 /nfs/dbraw/zinc/89/27/66/906892766.db2.gz HPOKZQYSBWXIAY-JOCHJYFZSA-N 2 0 396.531 3.507 20 30 GHEDRP C=CCOc1c(Br)cc(C[N@@H+](CCC)C2CC[NH2+]CC2)cc1OC ZINC000470019298 930319191 /nfs/dbraw/zinc/31/91/91/930319191.db2.gz SHZUKPCXBLJZGM-UHFFFAOYSA-N 2 0 397.357 3.987 20 30 GHEDRP COc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(C#N)c1 ZINC001137706915 935736716 /nfs/dbraw/zinc/73/67/16/935736716.db2.gz WKIGGQLJPCNWIP-FGZHOGPDSA-N 2 0 375.516 3.911 20 30 GHEDRP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccccc1C#N)CC2 ZINC001204371008 1032812295 /nfs/dbraw/zinc/81/22/95/1032812295.db2.gz QRXOYFCAWYQEPX-QHCPKHFHSA-N 2 0 375.516 3.814 20 30 GHEDRP Cc1ccc(NC(=[NH2+])NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cc1C ZINC000304750284 1021154738 /nfs/dbraw/zinc/15/47/38/1021154738.db2.gz IFWPFYMZDFXBIP-LJQANCHMSA-N 2 0 380.536 3.930 20 30 GHEDRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])NCCc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000305679200 1021166086 /nfs/dbraw/zinc/16/60/86/1021166086.db2.gz MJMBHPZCCVSFCZ-PXNSSMCTSA-N 2 0 388.918 3.619 20 30 GHEDRP C#CCOc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)cc1 ZINC001138557806 1025020495 /nfs/dbraw/zinc/02/04/95/1025020495.db2.gz GZARLSYZOPPUCA-UHFFFAOYSA-N 2 0 390.527 3.566 20 30 GHEDRP N#CC1(c2cccnc2N[C@@H]2CCC[C@H]([NH3+])C2)CC[NH+](Cc2ccccc2)CC1 ZINC001162390036 1025733372 /nfs/dbraw/zinc/73/33/72/1025733372.db2.gz BOXWCEIKZPHEIW-LEWJYISDSA-N 2 0 389.547 3.821 20 30 GHEDRP N#CCc1cccc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1F ZINC001162935540 1025972080 /nfs/dbraw/zinc/97/20/80/1025972080.db2.gz RZJHHIJDBVJAEX-NRFANRHFSA-N 2 0 392.522 3.805 20 30 GHEDRP COc1cc(C#N)ccc1OC1CC[NH+](Cc2cc(F)cc(C[NH+](C)C)c2)CC1 ZINC001232150539 1035128645 /nfs/dbraw/zinc/12/86/45/1035128645.db2.gz YJRJBBAWEJNMDQ-UHFFFAOYSA-N 2 0 397.494 3.811 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@@H](O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC001246042572 1037156821 /nfs/dbraw/zinc/15/68/21/1037156821.db2.gz CMHNTRJYYFDYNW-YADHBBJMSA-N 2 0 386.621 3.582 20 30 GHEDRP COc1ccc(C[N@H+]([C@@H](C)Cc2cccc(C#N)c2)C2CC[NH2+]CC2)cc1F ZINC001246957523 1037771527 /nfs/dbraw/zinc/77/15/27/1037771527.db2.gz BKSFPUVOSANCOH-KRWDZBQOSA-N 2 0 381.495 3.891 20 30 GHEDRP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccc(C#N)s4)CC3)C2)cc1 ZINC001232843032 1038593298 /nfs/dbraw/zinc/59/32/98/1038593298.db2.gz HWPIKBNTMZUYRS-UHFFFAOYSA-N 2 0 381.545 3.795 20 30 GHEDRP CCCCCCCC[C@H](O)C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001252126250 1038875744 /nfs/dbraw/zinc/87/57/44/1038875744.db2.gz OIAGCGCIMYLOOV-VABKMULXSA-N 2 0 380.617 3.778 20 30 GHEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255135559 1040836949 /nfs/dbraw/zinc/83/69/49/1040836949.db2.gz JYYJZQRSKZNHBC-JOZNFPNDSA-N 3 0 376.548 3.849 20 30 GHEDRP CCOC(=O)[C@H]1CCC[C@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255348159 1040954203 /nfs/dbraw/zinc/95/42/03/1040954203.db2.gz BNMVDNYLQLTZRU-CMOCDZPBSA-N 2 0 383.536 3.752 20 30 GHEDRP N#Cc1cc(F)c(CN2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c(F)c1 ZINC001235654216 1041099210 /nfs/dbraw/zinc/09/92/10/1041099210.db2.gz LTYQKJJFIZQUMD-UHFFFAOYSA-N 2 0 382.458 3.720 20 30 GHEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H](C)CSc2ccc(F)cc2)CC1 ZINC001255750133 1041271053 /nfs/dbraw/zinc/27/10/53/1041271053.db2.gz ZNJPKTWAPQIOLL-LJQANCHMSA-N 2 0 377.573 3.598 20 30 GHEDRP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001235968993 1041473774 /nfs/dbraw/zinc/47/37/74/1041473774.db2.gz MWGOFRUNLHBGPZ-LJQANCHMSA-N 2 0 396.560 3.834 20 30 GHEDRP N#Cc1c(N)sc(C[N@@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)c1Cl ZINC001236382949 1041691685 /nfs/dbraw/zinc/69/16/85/1041691685.db2.gz QHUNOSAODXNGDK-UHFFFAOYSA-N 2 0 392.931 3.996 20 30 GHEDRP C#CCOc1ccc(C[N@@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236710351 1041847244 /nfs/dbraw/zinc/84/72/44/1041847244.db2.gz PTKRVPNALCFYRN-HZCBDIJESA-N 2 0 378.516 3.979 20 30 GHEDRP C=C1C[C@@H]2CC([NH2+][C@@H]3CCc4c(ccc(=O)n4CC[NH+]4CCCC4)C3)C[C@H](C1)C2 ZINC001257886532 1044244599 /nfs/dbraw/zinc/24/45/99/1044244599.db2.gz IFCNXNCFDSHNMS-SXYMUXSESA-N 2 0 395.591 3.526 20 30 GHEDRP N#CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001342063147 1061034121 /nfs/dbraw/zinc/03/41/21/1061034121.db2.gz LOUUFPZEYNUQGJ-OEMFJLHTSA-N 2 0 375.516 3.979 20 30 GHEDRP COc1ccc(C[NH2+][C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1C#N ZINC001474294526 1074329127 /nfs/dbraw/zinc/32/91/27/1074329127.db2.gz PXQFBLKYHUXMGE-PUHATCMVSA-N 2 0 375.516 3.957 20 30 GHEDRP CCCCCCC[NH+]1CC2(C1)SCC[C@H]2C(=O)N(C)CC[NH+](CC)CC ZINC001279866547 845113526 /nfs/dbraw/zinc/11/35/26/845113526.db2.gz OSLZYGISTXEZSS-IBGZPJMESA-N 2 0 383.646 3.565 20 30 GHEDRP [NH2+]=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N[C@@H]1CCOc2ccccc21 ZINC000083030347 861894498 /nfs/dbraw/zinc/89/44/98/861894498.db2.gz NJUNJRVKNJHHAH-OAQYLSRUSA-N 2 0 378.520 3.601 20 30 GHEDRP C=CCOc1c(Br)cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1OC ZINC000262025272 851269545 /nfs/dbraw/zinc/26/95/45/851269545.db2.gz NMBZHLJMSGLAMU-UHFFFAOYSA-N 2 0 395.341 3.598 20 30 GHEDRP COc1cc(C#N)ccc1OCC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248399453 855078790 /nfs/dbraw/zinc/07/87/90/855078790.db2.gz OVGOMPPXMVATJZ-HROJSSOGSA-N 2 0 393.531 3.692 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000106260495 855203365 /nfs/dbraw/zinc/20/33/65/855203365.db2.gz LFOAYCOWYGATPY-FQEVSTJZSA-N 2 0 398.595 3.901 20 30 GHEDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000330218079 862669713 /nfs/dbraw/zinc/66/97/13/862669713.db2.gz OJDTUUZCFLEUMK-XLIONFOSSA-N 2 0 386.584 3.710 20 30 GHEDRP N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)nc1 ZINC000591037628 855731151 /nfs/dbraw/zinc/73/11/51/855731151.db2.gz DECDJQUBOZGYMS-JOCHJYFZSA-N 2 0 376.504 3.592 20 30 GHEDRP C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1OCC ZINC000442928025 858234694 /nfs/dbraw/zinc/23/46/94/858234694.db2.gz PCGVIHKOEZSZNV-OAHLLOKOSA-N 2 0 397.357 3.973 20 30 GHEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000602718361 860229171 /nfs/dbraw/zinc/22/91/71/860229171.db2.gz NIQNJKLIEMBZQO-RBBKRZOGSA-N 2 0 381.564 3.977 20 30 GHEDRP CN1CCC[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000598719739 860527958 /nfs/dbraw/zinc/52/79/58/860527958.db2.gz KTKTWMPOZRPCMO-QRQLOZEOSA-N 2 0 397.485 3.979 20 30 GHEDRP CC(=O)n1ccc2cc(C[C@@H](C)[NH2+]C3CC[NH+](CC4CC4)CC3)cc(C#N)c21 ZINC001168362966 864662220 /nfs/dbraw/zinc/66/22/20/864662220.db2.gz NSLSHNNOIOMGEH-MRXNPFEDSA-N 2 0 378.520 3.568 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000171870897 865399672 /nfs/dbraw/zinc/39/96/72/865399672.db2.gz PJEWVSVIBNFJJQ-UHFFFAOYSA-N 2 0 384.568 3.512 20 30 GHEDRP CCN(C(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000594254836 865615656 /nfs/dbraw/zinc/61/56/56/865615656.db2.gz LCFOVGFEJCNZTH-LJQANCHMSA-N 2 0 396.579 3.664 20 30 GHEDRP CC(C)CC[NH+]1CCC(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181866705 871583902 /nfs/dbraw/zinc/58/39/02/871583902.db2.gz QOXKNJKIQRMRSJ-UHFFFAOYSA-N 2 0 382.596 3.870 20 30 GHEDRP C#CCOc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1 ZINC000768675461 873498500 /nfs/dbraw/zinc/49/85/00/873498500.db2.gz OQVCUBFYLVVRCU-UHFFFAOYSA-N 2 0 389.543 3.520 20 30 GHEDRP Cc1cccc(N(CCC#N)C(=O)C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)c1C ZINC001197194946 873645458 /nfs/dbraw/zinc/64/54/58/873645458.db2.gz ZJDYWHFADBPRHU-UHFFFAOYSA-N 2 0 398.595 3.850 20 30 GHEDRP CCCCCCCCC[N@@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001201847536 875902201 /nfs/dbraw/zinc/90/22/01/875902201.db2.gz WZEXGJMEKFITOX-DHIUTWEWSA-N 2 0 379.633 3.998 20 30 GHEDRP CCCCCCCCCC[NH+]1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001201874824 875918441 /nfs/dbraw/zinc/91/84/41/875918441.db2.gz HZDHAUUSCNQBMX-UHFFFAOYSA-N 2 0 395.632 3.630 20 30 GHEDRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000538397814 879419600 /nfs/dbraw/zinc/41/96/00/879419600.db2.gz XUVLZBXHXTXDLB-PMACEKPBSA-N 2 0 382.596 3.869 20 30 GHEDRP Cc1ccc(C)c(C(=O)C(C(=S)NCC(C)(C)C[NH+](C)C)[n+]2ccccc2)c1 ZINC000170715447 884529520 /nfs/dbraw/zinc/52/95/20/884529520.db2.gz UEUCVUWDJLUVRQ-UHFFFAOYSA-O 2 0 398.596 3.707 20 30 GHEDRP C=CCc1cc(OC)cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1O ZINC000794668346 887714405 /nfs/dbraw/zinc/71/44/05/887714405.db2.gz SXGWJIMBKUTDTD-SZPZYZBQSA-N 2 0 378.516 3.693 20 30 GHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCOc2ccc(C#N)cc2)CC1 ZINC000537109292 894358484 /nfs/dbraw/zinc/35/84/84/894358484.db2.gz HAYKDIHYEMCSSJ-GOSISDBHSA-N 2 0 396.510 3.569 20 30 GHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132565747 897831579 /nfs/dbraw/zinc/83/15/79/897831579.db2.gz FMDJHGCPEVNQPL-GHTZIAJQSA-N 2 0 379.976 3.741 20 30 GHEDRP [NH2+]=C(Nc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1)c1ccc2cc(O)ccc2c1 ZINC001171185420 902213727 /nfs/dbraw/zinc/21/37/27/902213727.db2.gz JOLGTBBDMAYAJR-UHFFFAOYSA-N 3 0 388.515 3.753 20 30 GHEDRP CC(C)Oc1ccc(NC(=[NH2+])NCC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000104173512 904547618 /nfs/dbraw/zinc/54/76/18/904547618.db2.gz DNVSCXKZFUERTJ-UHFFFAOYSA-N 2 0 376.570 3.562 20 30 GHEDRP CC(C)Oc1ccc(NC(=[NH2+])NCc2ccc(OCCC[NH+](C)C)cc2)cc1 ZINC000104193798 904551596 /nfs/dbraw/zinc/55/15/96/904551596.db2.gz DPGWLTPSIUXHMH-UHFFFAOYSA-N 2 0 384.524 3.731 20 30 GHEDRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1 ZINC001173111976 906201815 /nfs/dbraw/zinc/20/18/15/906201815.db2.gz OLYMUAJINJODGO-SLXFGWRHSA-N 2 0 394.563 3.640 20 30 GHEDRP CCOC(=O)C[C@H]1CC[C@@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173634554 906585624 /nfs/dbraw/zinc/58/56/24/906585624.db2.gz VQNYROMSZDIAOS-MYGLTJDJSA-N 2 0 383.536 3.752 20 30 GHEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3ccc(OCC#N)cc3)cc2)CC1 ZINC000181518338 907018225 /nfs/dbraw/zinc/01/82/25/907018225.db2.gz YFSRAKFATADDHS-FQEVSTJZSA-N 2 0 392.547 3.577 20 30 GHEDRP C[NH+]1CCN(c2ccc(Nc3cccc(C[NH+]4CCCC4)c3)cc2C#N)CC1 ZINC001176198993 908006139 /nfs/dbraw/zinc/00/61/39/908006139.db2.gz PUDHEUVHNRLNMR-UHFFFAOYSA-N 2 0 375.520 3.649 20 30 GHEDRP COc1ccc(OC)c(NC(=[NH2+])NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000303773204 915120800 /nfs/dbraw/zinc/12/08/00/915120800.db2.gz FGKCDSJFCGFTOU-UHFFFAOYSA-N 2 0 382.508 3.617 20 30 GHEDRP COc1cc(C#N)ccc1OCC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000303890156 915290936 /nfs/dbraw/zinc/29/09/36/915290936.db2.gz RVQDRSNINVXIDV-UHFFFAOYSA-N 2 0 393.531 3.790 20 30 GHEDRP COc1ccc(NC(=[NH2+])NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1OC ZINC000303896203 915300843 /nfs/dbraw/zinc/30/08/43/915300843.db2.gz PVAYZZBPVNELBC-KRWDZBQOSA-N 2 0 396.535 3.863 20 30 GHEDRP C[C@@H]1CCC[N@H+](CCCCNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000304491562 915524768 /nfs/dbraw/zinc/52/47/68/915524768.db2.gz NZBMRPULIIQOKA-OAHLLOKOSA-N 2 0 386.462 3.502 20 30 GHEDRP C[NH+](C)Cc1cc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)ccc1F ZINC000304752335 915670816 /nfs/dbraw/zinc/67/08/16/915670816.db2.gz KBXSEZCOMLHMEM-UHFFFAOYSA-N 2 0 384.377 3.713 20 30 GHEDRP C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000926573906 932231935 /nfs/dbraw/zinc/23/19/35/932231935.db2.gz QKWUVXUTJAXMHK-RBUKOAKNSA-N 2 0 392.588 3.627 20 30 GHEDRP N#CC1(CCCC[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000930453768 934053104 /nfs/dbraw/zinc/05/31/04/934053104.db2.gz BFHZFXRYPFAGDF-QHCPKHFHSA-N 2 0 380.580 3.743 20 30 GHEDRP C=C(C)COc1ccccc1CN1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001138661270 1025180500 /nfs/dbraw/zinc/18/05/00/1025180500.db2.gz RBTOKHBEEYMREO-ISKFKSNPSA-N 2 0 384.564 3.822 20 30 GHEDRP C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]2CC ZINC001138770526 1025338085 /nfs/dbraw/zinc/33/80/85/1025338085.db2.gz IVKIHQRWELXQQY-VWNXMTODSA-N 2 0 399.579 3.549 20 30 GHEDRP N#Cc1ccc(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)cc1F ZINC001139527467 1026384103 /nfs/dbraw/zinc/38/41/03/1026384103.db2.gz CQDJIZDUTVJZEM-UPVQGACJSA-N 2 0 397.538 3.658 20 30 GHEDRP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(F)c(C#N)c1)CC2 ZINC001205472914 1033428101 /nfs/dbraw/zinc/42/81/01/1033428101.db2.gz LIBXMZPHHIQXOP-JOCHJYFZSA-N 2 0 393.506 3.953 20 30 GHEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CC[C@@H](C)CCCC(C)(C)OC)CC1 ZINC001208212546 1034803420 /nfs/dbraw/zinc/80/34/20/1034803420.db2.gz JUBNPTIRNPRCPZ-QFIPXVFZSA-N 2 0 379.633 3.900 20 30 GHEDRP C=CCN1C(=O)CCC[C@@]12CCC[N@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208942406 1035111540 /nfs/dbraw/zinc/11/15/40/1035111540.db2.gz QCHSPKKUTJKEOD-UPVQGACJSA-N 2 0 381.564 3.542 20 30 GHEDRP COc1ccc2c(c1)C1(C[C@@H]2[NH2+][C@@H](C)Cc2ccc(C#N)cc2)CC[NH2+]CC1 ZINC001246131850 1037207604 /nfs/dbraw/zinc/20/76/04/1037207604.db2.gz YNJBXANGOIMRDK-SBUREZEXSA-N 2 0 375.516 3.854 20 30 GHEDRP N#Cc1ccccc1OC1CC[NH+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC001246852090 1037677703 /nfs/dbraw/zinc/67/77/03/1037677703.db2.gz PAXJASTXXRHDSU-YADHBBJMSA-N 2 0 375.516 3.765 20 30 GHEDRP C=CCOC(=O)N1CC2(C1)CC[NH+]([C@H]1CCC[N@H+](Cc3ccccc3)CC1)CC2 ZINC001255398239 1040983899 /nfs/dbraw/zinc/98/38/99/1040983899.db2.gz IXKFUWLFCIMSHM-QFIPXVFZSA-N 2 0 397.563 3.762 20 30 GHEDRP C=CCN1C(=O)CCC12CC[NH+](Cc1ccc3c(c1)C(C(C)C)=[NH+]CC3)CC2 ZINC001237877258 1042405561 /nfs/dbraw/zinc/40/55/61/1042405561.db2.gz KJWFHGYRYJPWSW-UHFFFAOYSA-N 2 0 379.548 3.831 20 30 GHEDRP CCCCCCCCCCCCS(=O)(=O)NCCC[NH2+]CCCC[NH3+] ZINC001238880215 1042746177 /nfs/dbraw/zinc/74/61/77/1042746177.db2.gz YSMLWTBQOPQBDY-UHFFFAOYSA-N 2 0 377.639 3.545 20 30 GHEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+]C1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC001256666145 1043608471 /nfs/dbraw/zinc/60/84/71/1043608471.db2.gz GRXQKVZOBWKZBC-UHFFFAOYSA-N 2 0 388.556 3.831 20 30 GHEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001460406084 1068955035 /nfs/dbraw/zinc/95/50/35/1068955035.db2.gz BGDDICXARHNRRT-TZIWHRDSSA-N 2 0 387.593 3.898 20 30 GHEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCc1ccc(OCC[NH+]3CCCC3)cc1)CC2 ZINC000581161415 837470182 /nfs/dbraw/zinc/47/01/82/837470182.db2.gz YISGQJJRCKZIHW-DEOSSOPVSA-N 2 0 375.516 3.852 20 30 GHEDRP Cn1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180126795 837693588 /nfs/dbraw/zinc/69/35/88/837693588.db2.gz VOLZVDICKQMPQE-UHFFFAOYSA-N 2 0 399.542 3.961 20 30 GHEDRP C[NH+]=C(NCc1cc(F)ccc1F)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000262427101 834922120 /nfs/dbraw/zinc/92/21/20/834922120.db2.gz RTSZGCIYRSLNHV-LIRRHRJNSA-N 2 0 392.519 3.774 20 30 GHEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180053377 836963592 /nfs/dbraw/zinc/96/35/92/836963592.db2.gz NYFVRTHODNCAPC-RTBURBONSA-N 2 0 379.552 3.806 20 30 GHEDRP N#Cc1ccc2ncc(C[NH2+][C@@H]3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)n2c1 ZINC000585767403 842278862 /nfs/dbraw/zinc/27/88/62/842278862.db2.gz XKGSBPFZPXMTDP-YMPZKCBVSA-N 2 0 385.515 3.596 20 30 GHEDRP C=CCOc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1Cl ZINC000512425492 843759526 /nfs/dbraw/zinc/75/95/26/843759526.db2.gz ANQWRPCRIJXQQG-UHFFFAOYSA-N 2 0 378.944 3.839 20 30 GHEDRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)C(=O)NC1(C#N)CCCCC1 ZINC000604045319 861655807 /nfs/dbraw/zinc/65/58/07/861655807.db2.gz OQINEHXDYBICAD-WOJBJXKFSA-N 2 0 396.579 3.882 20 30 GHEDRP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000072097329 846430929 /nfs/dbraw/zinc/43/09/29/846430929.db2.gz JGSYTCKNWKVRNF-IBGZPJMESA-N 2 0 390.531 3.729 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)CC1 ZINC000502762735 846439774 /nfs/dbraw/zinc/43/97/74/846439774.db2.gz KMZCTTIMMBRMPV-HXUWFJFHSA-N 2 0 398.595 3.990 20 30 GHEDRP C=C(C)COc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)ccc1OC ZINC000657594946 848289134 /nfs/dbraw/zinc/28/91/34/848289134.db2.gz LMGUVJSTUXAMAL-QFIPXVFZSA-N 2 0 396.531 3.507 20 30 GHEDRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCC(=O)Nc3cccc(C#N)c3)C2)s1 ZINC000571407474 853870977 /nfs/dbraw/zinc/87/09/77/853870977.db2.gz AKFSYUJMWABUEF-IBGZPJMESA-N 2 0 396.560 3.711 20 30 GHEDRP N#CC1(c2ccccc2)CCC([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000595066092 858369276 /nfs/dbraw/zinc/36/92/76/858369276.db2.gz BWWINGABFUWDIP-BQCMWAFGSA-N 2 0 389.543 3.747 20 30 GHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(CC#N)cc2)CC1 ZINC000543183131 858758923 /nfs/dbraw/zinc/75/89/23/858758923.db2.gz KDFOILRPWKYROV-SFHVURJKSA-N 2 0 380.511 3.884 20 30 GHEDRP C=CCOc1cccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)c1 ZINC000856555902 881403116 /nfs/dbraw/zinc/40/31/16/881403116.db2.gz TXSIPNCQWNZJSE-HSZRJFAPSA-N 2 0 381.520 3.751 20 30 GHEDRP CCOCCC[N@@H+]1CC[C@H](/[NH+]=C/c2ccc(N(CC)CC)cc2O)[C@H](C)C1 ZINC000734366227 864178411 /nfs/dbraw/zinc/17/84/11/864178411.db2.gz JMFXYIVBYVJVMK-MIBGBWTDSA-N 2 0 375.557 3.794 20 30 GHEDRP C[NH+]=C(NCc1ccc(F)cc1F)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000262470194 864822452 /nfs/dbraw/zinc/82/24/52/864822452.db2.gz WTEFMCQXYOGTQQ-HNAYVOBHSA-N 2 0 392.519 3.774 20 30 GHEDRP C[C@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000539608326 869436013 /nfs/dbraw/zinc/43/60/13/869436013.db2.gz FFLKXOUYSRYOII-FQEVSTJZSA-N 2 0 394.538 3.946 20 30 GHEDRP N#Cc1ccc2ncc(C[NH+]3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)n2c1 ZINC000538763252 870605136 /nfs/dbraw/zinc/60/51/36/870605136.db2.gz QEUFQDFDIYJEAO-UHFFFAOYSA-N 2 0 385.515 3.694 20 30 GHEDRP C#C[C@@H](NC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1F ZINC000262686191 877015827 /nfs/dbraw/zinc/01/58/27/877015827.db2.gz YKQSGUQOTIEAHV-OAQYLSRUSA-N 2 0 398.913 3.722 20 30 GHEDRP Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1C ZINC000551908403 878005727 /nfs/dbraw/zinc/00/57/27/878005727.db2.gz MTDVWMNIGMBXTE-UHFFFAOYSA-N 2 0 384.568 3.602 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000303328232 885522138 /nfs/dbraw/zinc/52/21/38/885522138.db2.gz NCQXIHLHSGWYSI-QHCPKHFHSA-N 2 0 398.595 3.799 20 30 GHEDRP N#CCCn1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(-c2ccccc2)n1 ZINC000134191544 887841398 /nfs/dbraw/zinc/84/13/98/887841398.db2.gz FNWGMAPOWJCVRZ-UHFFFAOYSA-N 2 0 377.536 3.772 20 30 GHEDRP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123564623 889330613 /nfs/dbraw/zinc/33/06/13/889330613.db2.gz XEHZJVINJSRWAL-SFHVURJKSA-N 2 0 388.531 3.515 20 30 GHEDRP N#Cc1ccc(N2CCC([NH2+]C[C@H]3C[NH2+]CC[C@H]3c3ccc(F)cc3)CC2)cc1 ZINC000562962861 893223606 /nfs/dbraw/zinc/22/36/06/893223606.db2.gz UNTZPCVNDYIHMX-YKSBVNFPSA-N 2 0 392.522 3.649 20 30 GHEDRP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](C3CCC([NH+](CC)CC)CC3)C2)C1 ZINC001173107996 906194243 /nfs/dbraw/zinc/19/42/43/906194243.db2.gz ALAHHOYIGQBGJR-AOMIVXANSA-N 2 0 377.573 3.750 20 30 GHEDRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](C1CCC(CC#N)CC1)CC2 ZINC001173336224 906379285 /nfs/dbraw/zinc/37/92/85/906379285.db2.gz SEIWAUAYEPHVAD-IQWMQGJTSA-N 2 0 396.579 3.857 20 30 GHEDRP COc1ccc(NC(=[NH2+])NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1Cl ZINC000303791781 915131124 /nfs/dbraw/zinc/13/11/24/915131124.db2.gz XVXCCRYOACHWCZ-HNNXBMFYSA-N 2 0 378.929 3.974 20 30 GHEDRP CC1CC[NH+](Cc2ccc(CNC(=[NH2+])N[C@H]3CCOc4ccccc43)cc2)CC1 ZINC000304473012 915516748 /nfs/dbraw/zinc/51/67/48/915516748.db2.gz FTOBSGPFRPHSSV-QFIPXVFZSA-N 2 0 392.547 3.847 20 30 GHEDRP CC[NH+]1CCN(c2ccc(CNC(=[NH2+])Nc3cc(C)cc(C)c3)cc2F)CC1 ZINC000304755667 915670579 /nfs/dbraw/zinc/67/05/79/915670579.db2.gz MZWHKJQSKNBJFL-UHFFFAOYSA-N 2 0 383.515 3.511 20 30 GHEDRP C[C@H](C#C[Si](C)(C)C)Oc1c(C[NH+](C)C)cc(C[NH+](C)C)cc1C[NH+](C)C ZINC001227163075 1032301611 /nfs/dbraw/zinc/30/16/11/1032301611.db2.gz AAWDXRJMHKITEO-GOSISDBHSA-N 3 0 389.660 3.520 20 30 GHEDRP COc1cccc(C[NH+]2CCC3(CC[NH+](Cc4ccc(C#N)nc4)CC3)CC2)c1 ZINC001140541756 1021940348 /nfs/dbraw/zinc/94/03/48/1021940348.db2.gz SRIZWWSZSYYRHB-UHFFFAOYSA-N 2 0 390.531 3.840 20 30 GHEDRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)cc1 ZINC001138772907 1025343454 /nfs/dbraw/zinc/34/34/54/1025343454.db2.gz IYZHAJDHYGIZCL-QFIPXVFZSA-N 2 0 379.504 3.542 20 30 GHEDRP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)cc(C#N)c1)CC2 ZINC001139877489 1026693177 /nfs/dbraw/zinc/69/31/77/1026693177.db2.gz LFBWKIMRBGDBKB-HXUWFJFHSA-N 2 0 383.467 3.546 20 30 GHEDRP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(F)c(C#N)c1)CC2 ZINC001205467077 1033425547 /nfs/dbraw/zinc/42/55/47/1033425547.db2.gz HXUSTNATZCLGAD-LJQANCHMSA-N 2 0 383.467 3.546 20 30 GHEDRP N#Cc1cc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)ccc1Br ZINC001206755410 1033970039 /nfs/dbraw/zinc/97/00/39/1033970039.db2.gz GTVFYHCFXHGULT-UHFFFAOYSA-N 2 0 384.321 3.813 20 30 GHEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CCCc2ccccc2C(F)(F)F)CC1 ZINC001208835525 1035049037 /nfs/dbraw/zinc/04/90/37/1035049037.db2.gz SJPYIWBQFVVUHJ-UHFFFAOYSA-N 2 0 395.513 3.930 20 30 GHEDRP C=CCN1C(=O)CC[C@@]12CCC[N@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)CC2 ZINC001208934161 1035098981 /nfs/dbraw/zinc/09/89/81/1035098981.db2.gz HWTQNLBPBFOUER-ILBGXUMGSA-N 2 0 395.591 3.932 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]C[C@H]1CC[NH2+]C1 ZINC001245995882 1037117054 /nfs/dbraw/zinc/11/70/54/1037117054.db2.gz ULRUYZNEGGVPIR-FCHUYYIVSA-N 2 0 386.621 3.501 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+][C@H]1C[C@@](C)([NH3+])C1 ZINC001246009297 1037130109 /nfs/dbraw/zinc/13/01/09/1037130109.db2.gz JHGPEZLQRUEHEU-VSKRKVRLSA-N 2 0 386.621 3.771 20 30 GHEDRP CCCCCCCCCCCCCCOC[C@@H](O)C[NH+]1CCN(CC[NH3+])CC1 ZINC001246037813 1037154981 /nfs/dbraw/zinc/15/49/81/1037154981.db2.gz WLFOHQLCZQROQH-QHCPKHFHSA-N 2 0 399.664 3.641 20 30 GHEDRP COc1ccc2c(c1)C1(C[C@@H]2[NH2+][C@H](C)Cc2ccc(C#N)cc2)CC[NH2+]CC1 ZINC001246131844 1037207808 /nfs/dbraw/zinc/20/78/08/1037207808.db2.gz YNJBXANGOIMRDK-HXOBKFHXSA-N 2 0 375.516 3.854 20 30 GHEDRP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3CC[NH2+]C4(CCCCC4)C3)C2)CC1 ZINC001246524492 1037454642 /nfs/dbraw/zinc/45/46/42/1037454642.db2.gz FIGCSMYVOFBNSQ-FQEVSTJZSA-N 2 0 389.584 3.942 20 30 GHEDRP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@@H]3CC[NH2+]C4(CCCCC4)C3)C2)C1 ZINC001246552040 1037476990 /nfs/dbraw/zinc/47/69/90/1037476990.db2.gz UQBGMJXZTBILTE-TZIWHRDSSA-N 2 0 375.557 3.552 20 30 GHEDRP Cc1cc(C#N)ccc1C[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001233079299 1038845455 /nfs/dbraw/zinc/84/54/55/1038845455.db2.gz BBZXONKDSVARTF-OAQYLSRUSA-N 2 0 379.504 3.715 20 30 GHEDRP C=CCCCCCC[C@@H](O)C[NH2+][C@H]1CC[C@H]([NH+]2CCN(CC3CC3)CC2)CC1 ZINC001253250933 1039503110 /nfs/dbraw/zinc/50/31/10/1039503110.db2.gz FXQTUCJGKRMHON-WXFUMESZSA-N 2 0 391.644 3.802 20 30 GHEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255135558 1040835299 /nfs/dbraw/zinc/83/52/99/1040835299.db2.gz JYYJZQRSKZNHBC-BKFWDETESA-N 3 0 376.548 3.849 20 30 GHEDRP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255382582 1040972734 /nfs/dbraw/zinc/97/27/34/1040972734.db2.gz DHLMFBHSWRABGZ-XZOQPEGZSA-N 2 0 391.559 3.536 20 30 GHEDRP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001236583633 1041767592 /nfs/dbraw/zinc/76/75/92/1041767592.db2.gz YYSAUWDMEHRPCA-HXUWFJFHSA-N 2 0 396.560 3.834 20 30 GHEDRP C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1cn3cc(C#N)ccc3n1)CC2 ZINC001237605124 1042278888 /nfs/dbraw/zinc/27/88/88/1042278888.db2.gz VMDJNLFRGYBFAY-OAQYLSRUSA-N 2 0 389.503 3.676 20 30 GHEDRP N#Cc1ccc2nc(C[N@@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cn2c1 ZINC001237612294 1042280805 /nfs/dbraw/zinc/28/08/05/1042280805.db2.gz UYHVNGWDSBDWSR-FGZHOGPDSA-N 2 0 385.515 3.550 20 30 GHEDRP N#Cc1ccc(C2CCC([N@@H+]3CCc4onc(Cn5ccnc5)c4C3)CC2)cc1 ZINC001257018203 1043803261 /nfs/dbraw/zinc/80/32/61/1043803261.db2.gz KSCARHMTNWDWFX-UHFFFAOYSA-N 2 0 387.487 3.876 20 30 GHEDRP CCCC[NH+]=C(NCc1ccc(C)cc1)NCC1(SC)CC[NH+](C)CC1 ZINC000849085149 1057587540 /nfs/dbraw/zinc/58/75/40/1057587540.db2.gz ZLIDCAYMSQBUQY-UHFFFAOYSA-N 2 0 376.614 3.658 20 30 GHEDRP C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCC1CC[NH+](C)CC1 ZINC001339981645 1059593963 /nfs/dbraw/zinc/59/39/63/1059593963.db2.gz RBACPXWXJFNHFN-SFHVURJKSA-N 2 0 392.588 3.627 20 30 GHEDRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000728571274 834684025 /nfs/dbraw/zinc/68/40/25/834684025.db2.gz UIQQGUSLQFMVLG-HXUWFJFHSA-N 2 0 384.568 3.684 20 30 GHEDRP Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1C ZINC000728572246 834771381 /nfs/dbraw/zinc/77/13/81/834771381.db2.gz VDVGQURLSIWJBP-UHFFFAOYSA-N 2 0 384.568 3.602 20 30 GHEDRP COc1cc(C#N)ccc1OCC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179397417 835674199 /nfs/dbraw/zinc/67/41/99/835674199.db2.gz BTNLNPWYMFOCMC-UHFFFAOYSA-N 2 0 394.519 3.579 20 30 GHEDRP C[C@H](C(=O)Nc1ccccc1C#N)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000245966818 835754510 /nfs/dbraw/zinc/75/45/10/835754510.db2.gz DUAXAYIKMFZVSL-RBUKOAKNSA-N 2 0 382.552 3.862 20 30 GHEDRP C[C@H]1C[NH+](CC2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)C[C@H](C)O1 ZINC000092587193 844121595 /nfs/dbraw/zinc/12/15/95/844121595.db2.gz UJCMUSHWVLXXKC-PMACEKPBSA-N 2 0 385.552 3.690 20 30 GHEDRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)C[C@@H](C)O1 ZINC000092587194 844121671 /nfs/dbraw/zinc/12/16/71/844121671.db2.gz UJCMUSHWVLXXKC-WOJBJXKFSA-N 2 0 385.552 3.690 20 30 GHEDRP C=CCOCc1nn(CC2CC2)c2c1C[N@H+]([C@@H](C)CCC[NH+](CC)CC)CC2 ZINC001167825903 842045572 /nfs/dbraw/zinc/04/55/72/842045572.db2.gz ULVCACWAEKPBLX-IBGZPJMESA-N 2 0 388.600 3.864 20 30 GHEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000599660288 861492039 /nfs/dbraw/zinc/49/20/39/861492039.db2.gz MBQNEXGJCVOCBB-FQEVSTJZSA-N 2 0 392.547 3.905 20 30 GHEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000512667425 844965472 /nfs/dbraw/zinc/96/54/72/844965472.db2.gz PHTPLFVGEKJRJN-SFHVURJKSA-N 2 0 380.511 3.686 20 30 GHEDRP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000488377480 851428723 /nfs/dbraw/zinc/42/87/23/851428723.db2.gz SDGHRHALGJTVEW-GOSISDBHSA-N 2 0 377.598 3.705 20 30 GHEDRP N#Cc1ccc(CN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001167964067 853428435 /nfs/dbraw/zinc/42/84/35/853428435.db2.gz MPLXUGLXGZURDW-CWAQXLGLSA-N 2 0 378.564 3.518 20 30 GHEDRP CC(C)(C#N)c1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000594501333 858193477 /nfs/dbraw/zinc/19/34/77/858193477.db2.gz UHDYJRMXGOJPPF-HSZRJFAPSA-N 2 0 377.532 3.734 20 30 GHEDRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ccc1C#N ZINC000521945003 858477700 /nfs/dbraw/zinc/47/77/00/858477700.db2.gz ZPXMNUAEEOYRFY-DNVJHFABSA-N 2 0 375.516 3.957 20 30 GHEDRP CN1CCC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000598719737 860528043 /nfs/dbraw/zinc/52/80/43/860528043.db2.gz KTKTWMPOZRPCMO-NEWSRXKRSA-N 2 0 397.485 3.979 20 30 GHEDRP [NH2+]=C(NC[C@H]1SCCc2ccccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000262503102 865504980 /nfs/dbraw/zinc/50/49/80/865504980.db2.gz AKSGSEGYGRBKEW-JOCHJYFZSA-N 2 0 394.588 3.586 20 30 GHEDRP N#Cc1cccc(OCC[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000534963850 867878899 /nfs/dbraw/zinc/87/88/99/867878899.db2.gz PBZSMFFGSAJKQQ-UHFFFAOYSA-N 2 0 375.516 3.925 20 30 GHEDRP C[NH+]1CCN(c2cc[nH+]cc2NC2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000539523008 869281443 /nfs/dbraw/zinc/28/14/43/869281443.db2.gz VPGLOAJNNJVFIB-UHFFFAOYSA-N 2 0 375.520 3.649 20 30 GHEDRP C[C@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000540708083 871948645 /nfs/dbraw/zinc/94/86/45/871948645.db2.gz RDQVDWUTIZASDH-IBGZPJMESA-N 2 0 380.511 3.556 20 30 GHEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000237593067 877642335 /nfs/dbraw/zinc/64/23/35/877642335.db2.gz IEAYANOVFJKMRC-OAQYLSRUSA-N 2 0 392.547 3.669 20 30 GHEDRP C#Cc1ccc(C[NH2+]C2CCC([NH+]3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC000812802804 890997855 /nfs/dbraw/zinc/99/78/55/890997855.db2.gz IOSPNWBRPVILHT-UHFFFAOYSA-N 2 0 397.563 3.621 20 30 GHEDRP CC(=O)[C@](C#N)(CCN1CCC[C@H](C[NH+]2CCC(C)CC2)C1)c1ccccc1 ZINC000878018137 893951434 /nfs/dbraw/zinc/95/14/34/893951434.db2.gz SBLSSLDJCYDPQC-LADGPHEKSA-N 2 0 381.564 3.871 20 30 GHEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(C(C)(C)CCC#N)cc1 ZINC001148906305 904243651 /nfs/dbraw/zinc/24/36/51/904243651.db2.gz LZCFJJJRCBVPBO-UHFFFAOYSA-N 2 0 386.584 3.614 20 30 GHEDRP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1(C)C ZINC001171637428 904925455 /nfs/dbraw/zinc/92/54/55/904925455.db2.gz NAHUJOYBBFMLMN-XMMPIXPASA-N 2 0 394.563 3.638 20 30 GHEDRP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988687 906053512 /nfs/dbraw/zinc/05/35/12/906053512.db2.gz CNWUEXUXRVRCND-NMLBUPMWSA-N 2 0 390.572 3.617 20 30 GHEDRP C=CCOC1CCC([NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccccn4)CO3)CC2)CC1 ZINC001173324927 906372830 /nfs/dbraw/zinc/37/28/30/906372830.db2.gz WGNWMFNENAIKTM-OOMBGRCJSA-N 2 0 399.579 3.651 20 30 GHEDRP COc1ccc(NC(=[NH2+])NC[C@H](c2cccs2)[NH+]2CCCC2)cc1Cl ZINC000303791784 915131249 /nfs/dbraw/zinc/13/12/49/915131249.db2.gz XVXCCRYOACHWCZ-OAHLLOKOSA-N 2 0 378.929 3.974 20 30 GHEDRP COc1ccc(C[NH+]2CCC(CNC(=[NH2+])Nc3cc(C)cc(C)c3)CC2)cc1 ZINC000303872274 915231277 /nfs/dbraw/zinc/23/12/77/915231277.db2.gz GDNZDGUVXSCDHB-UHFFFAOYSA-N 2 0 380.536 3.951 20 30 GHEDRP CCc1cccc(NC(=[NH2+])NCCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000305785019 916379564 /nfs/dbraw/zinc/37/95/64/916379564.db2.gz XHZYDMINMZZKHM-UHFFFAOYSA-N 2 0 380.536 3.693 20 30 GHEDRP N#Cc1ccc(N2CCC([NH2+][C@H](CCCC[NH3+])c3ccc(F)cc3F)CC2)nc1 ZINC000902364849 922127886 /nfs/dbraw/zinc/12/78/86/922127886.db2.gz VLNRBEVAJPNQAG-OAQYLSRUSA-N 2 0 399.489 3.660 20 30 GHEDRP CC[C@H](C#N)Oc1cc(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)ccc1OC ZINC000784543026 931930378 /nfs/dbraw/zinc/93/03/78/931930378.db2.gz XQARHHJIFJYSHM-HXUWFJFHSA-N 2 0 391.475 3.555 20 30 GHEDRP C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000926573905 932231818 /nfs/dbraw/zinc/23/18/18/932231818.db2.gz QKWUVXUTJAXMHK-OALUTQOASA-N 2 0 392.588 3.627 20 30 GHEDRP C[C@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001116704616 933713203 /nfs/dbraw/zinc/71/32/03/933713203.db2.gz OBQOGSJOKGGQEQ-SJDLUZLQSA-N 2 0 392.522 3.852 20 30 GHEDRP C#C[C@@H](Oc1c(C[NH+](C)C)cc(C[NH+](C)C)cc1C[NH+](C)C)c1ccccc1 ZINC001227161869 1032300407 /nfs/dbraw/zinc/30/04/07/1032300407.db2.gz XWNSQLPYKXXLJR-HSZRJFAPSA-N 3 0 379.548 3.625 20 30 GHEDRP N#CCOc1ccc(Cl)cc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000780330921 1023206085 /nfs/dbraw/zinc/20/60/85/1023206085.db2.gz JODSAKNSJZRDEC-UHFFFAOYSA-N 2 0 391.943 3.567 20 30 GHEDRP CC(C)N(CCC[NH3+])c1ncccc1C1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001164122889 1026426410 /nfs/dbraw/zinc/42/64/10/1026426410.db2.gz RGOJFCWOVBTSFT-UHFFFAOYSA-N 2 0 391.563 3.703 20 30 GHEDRP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(N(C)CCC#N)cc4)C[C@@H]3C2)cc1 ZINC001231818202 1034927406 /nfs/dbraw/zinc/92/74/06/1034927406.db2.gz RUSLBOFOGHKKLE-ZEQRLZLVSA-N 2 0 388.559 3.909 20 30 GHEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC001208692069 1034981560 /nfs/dbraw/zinc/98/15/60/1034981560.db2.gz LPGHEGVVBRKBIT-UHFFFAOYSA-N 2 0 395.513 3.930 20 30 GHEDRP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208949878 1035120411 /nfs/dbraw/zinc/12/04/11/1035120411.db2.gz ZHVQYHSYSAGSRK-UPVQGACJSA-N 2 0 397.563 3.619 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]CC1(C)C[NH2+]C1 ZINC001245996196 1037116836 /nfs/dbraw/zinc/11/68/36/1037116836.db2.gz UTLVGEXUSNNEHA-NRFANRHFSA-N 2 0 386.621 3.501 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]CC1([NH3+])CCC1 ZINC001246021098 1037141436 /nfs/dbraw/zinc/14/14/36/1037141436.db2.gz RFUQJFOKKQGFQS-OAQYLSRUSA-N 2 0 386.621 3.772 20 30 GHEDRP N#Cc1nccc(Oc2cccc(-c3ccc(CN[C@@H]4CCC[NH2+]C4)cc3)c2)n1 ZINC001246297268 1037282606 /nfs/dbraw/zinc/28/26/06/1037282606.db2.gz WMGISJQNZOLTOC-HXUWFJFHSA-N 2 0 385.471 3.649 20 30 GHEDRP C=CCOC(=O)N1CCCC2(CC[NH+](C3CCC4(CC[NH2+]CC4)CC3)CC2)C1 ZINC001246528457 1037460408 /nfs/dbraw/zinc/46/04/08/1037460408.db2.gz XSYQKHPSHCFGIU-UHFFFAOYSA-N 2 0 389.584 3.799 20 30 GHEDRP COc1ccc(C[N@H+]([C@H](C)Cc2ccc(C#N)cc2)C2CC[NH2+]CC2)cc1F ZINC001246963904 1037785320 /nfs/dbraw/zinc/78/53/20/1037785320.db2.gz ZYXFSIACCDOVKA-QGZVFWFLSA-N 2 0 381.495 3.891 20 30 GHEDRP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255382580 1040973279 /nfs/dbraw/zinc/97/32/79/1040973279.db2.gz DHLMFBHSWRABGZ-GOTSBHOMSA-N 2 0 391.559 3.536 20 30 GHEDRP N#Cc1ccc(N2CCC[N@@H+]([C@@H]3CCC[NH+](Cc4ccccc4)CC3)CC2)nc1 ZINC001255403254 1040989480 /nfs/dbraw/zinc/98/94/80/1040989480.db2.gz CCJYBUYALNTCIS-HSZRJFAPSA-N 2 0 389.547 3.520 20 30 GHEDRP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccnc(C#N)c2)CC3)c1 ZINC001237465630 1042219771 /nfs/dbraw/zinc/21/97/71/1042219771.db2.gz UIOJXZZMTWERON-UHFFFAOYSA-N 2 0 390.531 3.840 20 30 GHEDRP COc1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)ccc1C#N ZINC001238417778 1042589431 /nfs/dbraw/zinc/58/94/31/1042589431.db2.gz ZFWBIWXKKNHKAG-XZOQPEGZSA-N 2 0 375.516 3.911 20 30 GHEDRP C=CCC[C@H](C)[NH+]1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001258728500 1044733634 /nfs/dbraw/zinc/73/36/34/1044733634.db2.gz NXZDMFIKPZCOSP-SFTDATJTSA-N 2 0 397.607 3.930 20 30 GHEDRP Cn1cc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180165024 836475233 /nfs/dbraw/zinc/47/52/33/836475233.db2.gz XYBAOWXHIVAINL-JOCHJYFZSA-N 2 0 399.542 3.613 20 30 GHEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000611622463 847600379 /nfs/dbraw/zinc/60/03/79/847600379.db2.gz JVQHVQDIGBPYPE-LADGPHEKSA-N 2 0 375.516 3.682 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1OCC ZINC000414865624 850045764 /nfs/dbraw/zinc/04/57/64/850045764.db2.gz ZHTSHHZMHUQHBS-GDBMZVCRSA-N 2 0 397.357 3.890 20 30 GHEDRP C=CCOc1cccc(CN(Cc2nccn2CC)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435433751 850490468 /nfs/dbraw/zinc/49/04/68/850490468.db2.gz PBZSKXSVBCWMBL-NRFANRHFSA-N 2 0 380.536 3.612 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000519282513 850862245 /nfs/dbraw/zinc/86/22/45/850862245.db2.gz AWAHGJNNHWWMFE-FQEVSTJZSA-N 2 0 398.595 3.758 20 30 GHEDRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cn4ccccc4c3C#N)CC2)C[C@@H](C)O1 ZINC000426768908 852372119 /nfs/dbraw/zinc/37/21/19/852372119.db2.gz DHBZELDDJDNMCI-RTBURBONSA-N 2 0 380.536 3.522 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+]CC2(C)CC[NH2+]CC2)cc1OC ZINC000414901635 853018249 /nfs/dbraw/zinc/01/82/49/853018249.db2.gz IWCWYNBXQFVJEV-UHFFFAOYSA-N 2 0 383.330 3.502 20 30 GHEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000481918313 862515389 /nfs/dbraw/zinc/51/53/89/862515389.db2.gz GVYCRIMRAZCQGY-DEOSSOPVSA-N 2 0 389.547 3.523 20 30 GHEDRP N#Cc1cc(Cl)cc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)c1 ZINC000903464305 855325497 /nfs/dbraw/zinc/32/54/97/855325497.db2.gz IBRCCKPOKUSLNL-UHFFFAOYSA-N 2 0 383.927 3.781 20 30 GHEDRP C=C(C)COc1cc(C[NH2+]Cc2ccc(-n3ccnc3C)nc2)ccc1OC ZINC000057965569 855477357 /nfs/dbraw/zinc/47/73/57/855477357.db2.gz VYUWZHXLJXMYJI-UHFFFAOYSA-N 2 0 378.476 3.829 20 30 GHEDRP N#Cc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000594955132 858344426 /nfs/dbraw/zinc/34/44/26/858344426.db2.gz OHZVNKZYZRQCAC-UHFFFAOYSA-N 2 0 381.442 3.558 20 30 GHEDRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)C2)ccn1 ZINC000856548078 881361309 /nfs/dbraw/zinc/36/13/09/881361309.db2.gz GPQPXEAYQKTDKL-QHCPKHFHSA-N 2 0 390.531 3.742 20 30 GHEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390572 859734097 /nfs/dbraw/zinc/73/40/97/859734097.db2.gz ITAWDANADOUCNG-VWLOTQADSA-N 2 0 388.559 3.863 20 30 GHEDRP N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(C[NH+]4CCCCCC4)CC3)C2=O)cc1 ZINC000611515197 859796113 /nfs/dbraw/zinc/79/61/13/859796113.db2.gz JRJFWWQZIKGKIU-HSZRJFAPSA-N 2 0 394.563 3.642 20 30 GHEDRP N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000192923509 863221738 /nfs/dbraw/zinc/22/17/38/863221738.db2.gz WHIPDDCVVFCCKO-DEOSSOPVSA-N 2 0 388.559 3.634 20 30 GHEDRP Cc1oc2ccccc2c1CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000262461992 864539643 /nfs/dbraw/zinc/53/96/43/864539643.db2.gz XRRDGFKXASVFNX-UHFFFAOYSA-N 2 0 376.504 3.810 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000171709500 865339437 /nfs/dbraw/zinc/33/94/37/865339437.db2.gz QKNPAHGVFDPCNL-LJQANCHMSA-N 2 0 384.568 3.511 20 30 GHEDRP CC1(C)C[N@H+](C[C@H](O)CC2(C#N)CC2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000528560104 874705558 /nfs/dbraw/zinc/70/55/58/874705558.db2.gz HOEOWJINQUYORO-FGZHOGPDSA-N 2 0 381.564 3.664 20 30 GHEDRP Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000155082325 886317476 /nfs/dbraw/zinc/31/74/76/886317476.db2.gz JIWJOWIDLZZCPM-UHFFFAOYSA-N 2 0 392.551 3.671 20 30 GHEDRP CO[C@@H]1CCC[NH+](Cc2cc(C#N)cc(C[N@H+]3CCC[C@@H](OC)CC3)c2)CC1 ZINC000878401034 894261338 /nfs/dbraw/zinc/26/13/38/894261338.db2.gz KOZSRQJAAKGYSH-DHIUTWEWSA-N 2 0 385.552 3.560 20 30 GHEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000571468841 899878072 /nfs/dbraw/zinc/87/80/72/899878072.db2.gz SMMKHLMPXYNCTM-VWNXMTODSA-N 2 0 375.516 3.682 20 30 GHEDRP C[C@H](CCCC#N)[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2ccccn2)C1 ZINC001172497065 905597201 /nfs/dbraw/zinc/59/72/01/905597201.db2.gz XHGDCGOHNSRCQC-JCTONOIOSA-N 2 0 396.579 3.714 20 30 GHEDRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1C#N ZINC001172967296 906028183 /nfs/dbraw/zinc/02/81/83/906028183.db2.gz IEJXKMHNTLWGEK-RTWAWAEBSA-N 2 0 398.551 3.664 20 30 GHEDRP N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)CC2)cc1 ZINC001173432279 906468143 /nfs/dbraw/zinc/46/81/43/906468143.db2.gz XCPVDZHUJKVRBQ-QFIPXVFZSA-N 2 0 394.563 3.503 20 30 GHEDRP CC(C)c1cccc(NC(=[NH2+])NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000267471599 909515408 /nfs/dbraw/zinc/51/54/08/909515408.db2.gz YALKZJQLLUNVHX-UHFFFAOYSA-N 2 0 380.536 3.694 20 30 GHEDRP COc1ccc(OC)c(NC(=[NH2+])NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000303887996 915298116 /nfs/dbraw/zinc/29/81/16/915298116.db2.gz LBXWOMJMQMCCRC-KRWDZBQOSA-N 2 0 396.535 3.863 20 30 GHEDRP C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H]1CCCC[N@H+]1C(C)C ZINC000412987602 928075352 /nfs/dbraw/zinc/07/53/52/928075352.db2.gz KKYQZRONEMJNMF-LJQANCHMSA-N 2 0 391.629 3.848 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1OCC ZINC000470018735 930319639 /nfs/dbraw/zinc/31/96/39/930319639.db2.gz QEDHRUPOYIVVCW-AWEZNQCLSA-N 2 0 397.357 3.972 20 30 GHEDRP C[NH+](C)Cc1cc(C[NH+](C)C)c(O[C@@H](C#N)c2cccc(F)c2)c(C[NH+](C)C)c1 ZINC001227166344 1032302945 /nfs/dbraw/zinc/30/29/45/1032302945.db2.gz XLJQDKIVCBVKAT-QFIPXVFZSA-N 3 0 398.526 3.654 20 30 GHEDRP N#Cc1nc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)ccc1Cl ZINC001155358015 1032517439 /nfs/dbraw/zinc/51/74/39/1032517439.db2.gz MGBSASYIGNGYPO-GOSISDBHSA-N 2 0 395.938 3.520 20 30 GHEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(-c3ccccn3)cc2)CC1 ZINC001140382721 1021532804 /nfs/dbraw/zinc/53/28/04/1021532804.db2.gz YVXQADXPECJEMK-UHFFFAOYSA-N 2 0 376.548 3.540 20 30 GHEDRP C=C(C)COc1ccccc1CN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001138661423 1025180774 /nfs/dbraw/zinc/18/07/74/1025180774.db2.gz XDOBXSOJLMUYME-UPVQGACJSA-N 2 0 384.564 3.822 20 30 GHEDRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)cc1 ZINC001138772906 1025342999 /nfs/dbraw/zinc/34/29/99/1025342999.db2.gz IYZHAJDHYGIZCL-JOCHJYFZSA-N 2 0 379.504 3.542 20 30 GHEDRP Cc1ccc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccccn4)CO3)CC2)cc1C#N ZINC001139725024 1026568611 /nfs/dbraw/zinc/56/86/11/1026568611.db2.gz ZMAOONKXWAUKTR-QHCPKHFHSA-N 2 0 390.531 3.517 20 30 GHEDRP N#Cc1ccc2[nH]cc(C[NH+]3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001140114230 1026895830 /nfs/dbraw/zinc/89/58/30/1026895830.db2.gz SGHAXBXOJNWZBQ-UHFFFAOYSA-N 2 0 385.515 3.923 20 30 GHEDRP Cc1ccc2nc(N3CC[NH+](CC4CC[NH+](C)CC4)CC3)c(C#N)c(Cl)c2c1 ZINC001157848185 1033792857 /nfs/dbraw/zinc/79/28/57/1033792857.db2.gz QAUVKAYDVBUDDQ-UHFFFAOYSA-N 2 0 397.954 3.532 20 30 GHEDRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](CCCc3ccc(C#N)cc3)CC[C@@H]21 ZINC001208858462 1035062845 /nfs/dbraw/zinc/06/28/45/1035062845.db2.gz FVUROCMLVUVPSY-SGNDLWITSA-N 2 0 391.563 3.561 20 30 GHEDRP N#CC1(c2cccnc2-c2ccncc2C[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001245554623 1036951199 /nfs/dbraw/zinc/95/11/99/1036951199.db2.gz DCFXCRYBTXQUBG-UHFFFAOYSA-N 2 0 383.499 3.660 20 30 GHEDRP CC(C)(C)OC(=O)[C@H](CCC[NH3+])NC1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001246208188 1037238263 /nfs/dbraw/zinc/23/82/63/1037238263.db2.gz SIYUXUKMMKWKII-LVIWNVNYSA-N 2 0 389.515 3.568 20 30 GHEDRP N#Cc1cccc(O[C@@H]2CCC[N@@H+]([C@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)C2)c1 ZINC001246847908 1037674381 /nfs/dbraw/zinc/67/43/81/1037674381.db2.gz YVYYEMOTHMFNRV-WPFOTENUSA-N 2 0 375.516 3.765 20 30 GHEDRP CC(C)(C)c1ccc(-c2noc([C@@H]3CCC[N@@H+](C4CC[NH2+]CC4)C3)n2)c(C#N)c1 ZINC001247904362 1038475293 /nfs/dbraw/zinc/47/52/93/1038475293.db2.gz DNZNBCJQALOFQL-MRXNPFEDSA-N 2 0 393.535 3.837 20 30 GHEDRP CCOC(=O)[C@H]1CCC[C@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255351275 1040956389 /nfs/dbraw/zinc/95/63/89/1040956389.db2.gz WYPHSZHBCIIQIW-CMOCDZPBSA-N 2 0 383.536 3.752 20 30 GHEDRP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255404426 1040991925 /nfs/dbraw/zinc/99/19/25/1040991925.db2.gz SNDHNGMAECYJBU-HJOGWXRNSA-N 2 0 384.564 3.867 20 30 GHEDRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001308487597 1049988095 /nfs/dbraw/zinc/98/80/95/1049988095.db2.gz CWGXVNPZLLJORZ-WMZHIEFXSA-N 2 0 399.542 3.816 20 30 GHEDRP C=CCOc1ccccc1CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849089202 1057589031 /nfs/dbraw/zinc/58/90/31/1057589031.db2.gz FMGGGEUKQHWBOF-UHFFFAOYSA-N 2 0 378.520 3.530 20 30 GHEDRP N#Cc1ccccc1OCCN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001459653134 1064154976 /nfs/dbraw/zinc/15/49/76/1064154976.db2.gz HCBWIELHQGNDHY-GOTSBHOMSA-N 2 0 375.516 3.924 20 30 GHEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414313234 837049473 /nfs/dbraw/zinc/04/94/73/837049473.db2.gz XSSPBIQDINGFGL-XMMPIXPASA-N 2 0 389.543 3.942 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000509727157 840117999 /nfs/dbraw/zinc/11/79/99/840117999.db2.gz DFJGHUILOKOYPR-UNMCSNQZSA-N 2 0 398.595 3.627 20 30 GHEDRP C#Cc1ccc(NC(=O)CC[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC001167659556 849331909 /nfs/dbraw/zinc/33/19/09/849331909.db2.gz STINONCJERFMTL-FQEVSTJZSA-N 2 0 381.564 3.973 20 30 GHEDRP C[NH+]=C(NCc1scnc1C)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000262004160 850555756 /nfs/dbraw/zinc/55/57/56/850555756.db2.gz VETBHIOHJPMTAO-WOJBJXKFSA-N 2 0 397.592 3.513 20 30 GHEDRP COc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000262014805 851149613 /nfs/dbraw/zinc/14/96/13/851149613.db2.gz KQYUNIWOINDCLE-LIRRHRJNSA-N 2 0 390.890 3.907 20 30 GHEDRP N#Cc1ccccc1CN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167975603 851814019 /nfs/dbraw/zinc/81/40/19/851814019.db2.gz SHXTZPVQRFBSQQ-CWAQXLGLSA-N 2 0 378.564 3.518 20 30 GHEDRP CN(Cc1ccccc1C(C)(C)C#N)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188293721 853921285 /nfs/dbraw/zinc/92/12/85/853921285.db2.gz YUGLBMHWVMUCSJ-XMMPIXPASA-N 2 0 377.532 3.557 20 30 GHEDRP COc1cc(C#N)ccc1OC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167994273 854436301 /nfs/dbraw/zinc/43/63/01/854436301.db2.gz BBQHTYRLDPSFAB-WCRBZPEASA-N 2 0 395.547 3.815 20 30 GHEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594495048 858191151 /nfs/dbraw/zinc/19/11/51/858191151.db2.gz NJWKZKLCWCOWEO-UHFFFAOYSA-N 2 0 390.575 3.915 20 30 GHEDRP C#CCOc1ccccc1C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856562219 881469970 /nfs/dbraw/zinc/46/99/70/881469970.db2.gz WJYBIMWOUIFRIR-QHCPKHFHSA-N 2 0 393.531 3.587 20 30 GHEDRP C[C@]([NH3+])(CCCC[NH3+])c1nc(-c2ccc(Oc3ccc(C#N)cc3)cc2)no1 ZINC001212336005 870759436 /nfs/dbraw/zinc/75/94/36/870759436.db2.gz PMKWOFHBBBIDQI-NRFANRHFSA-N 2 0 377.448 3.703 20 30 GHEDRP C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1 ZINC000105462682 875299857 /nfs/dbraw/zinc/29/98/57/875299857.db2.gz PYJDVFNACVVNII-QZTJIDSGSA-N 2 0 396.510 3.719 20 30 GHEDRP COc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1OC ZINC000304794412 878733178 /nfs/dbraw/zinc/73/31/78/878733178.db2.gz LYHKBRHCOIAEBN-AUUYWEPGSA-N 2 0 388.537 3.575 20 30 GHEDRP C#CCOc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000113318351 880503165 /nfs/dbraw/zinc/50/31/65/880503165.db2.gz ADPGVEZCSZLHQZ-BGYRXZFFSA-N 2 0 378.516 3.598 20 30 GHEDRP C#CCCOc1ccc(C[NH2+]Cc2ccccc2CN2CC[NH+](CC)CC2)cc1 ZINC000113323213 880515933 /nfs/dbraw/zinc/51/59/33/880515933.db2.gz DAFCBNWJWBJRQO-UHFFFAOYSA-N 2 0 391.559 3.516 20 30 GHEDRP [NH2+]=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)NC1CCCCCC1 ZINC000263144514 884171145 /nfs/dbraw/zinc/17/11/45/884171145.db2.gz OPPWRFBUCCMBPC-NRFANRHFSA-N 2 0 398.595 3.542 20 30 GHEDRP CC[N@H+](CCC1CCN(Cc2cccc(C(=O)OC)c2C#N)CC1)CC1CC1 ZINC000536737385 893699880 /nfs/dbraw/zinc/69/98/80/893699880.db2.gz DLPNDMCPSWYNSY-UHFFFAOYSA-N 2 0 383.536 3.679 20 30 GHEDRP N#Cc1ccc(N2CCC([NH2+]C[C@H]3CC[N@H+](CCc4ccccc4)C3)CC2)cc1 ZINC000565132833 895414020 /nfs/dbraw/zinc/41/40/20/895414020.db2.gz GJXHWCJUZRMHQX-HSZRJFAPSA-N 2 0 388.559 3.681 20 30 GHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000773068321 904412275 /nfs/dbraw/zinc/41/22/75/904412275.db2.gz ISLBDNHJYLTYEC-ORYQWCPZSA-N 2 0 378.944 3.846 20 30 GHEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H](C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001171968919 905215201 /nfs/dbraw/zinc/21/52/01/905215201.db2.gz XPOJSFNRJHIASM-LJQANCHMSA-N 2 0 395.513 3.928 20 30 GHEDRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)C[C@H]1C#N ZINC001172975300 906041008 /nfs/dbraw/zinc/04/10/08/906041008.db2.gz YKGGDPNVEALGGP-UXHICEINSA-N 2 0 390.572 3.522 20 30 GHEDRP CCOC(=O)C[C@@H]1CC[C@@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173633938 906585526 /nfs/dbraw/zinc/58/55/26/906585526.db2.gz SNWILGZSFPMAPC-BRKWEVRTSA-N 2 0 383.536 3.752 20 30 GHEDRP CCc1cccc(CC)c1NC(=[NH2+])NCc1ccccc1CN1CCOCC1 ZINC000303786047 915127784 /nfs/dbraw/zinc/12/77/84/915127784.db2.gz QZFDQFLXWXOKPC-UHFFFAOYSA-N 2 0 380.536 3.570 20 30 GHEDRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])N2CCCCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000304758236 915674465 /nfs/dbraw/zinc/67/44/65/915674465.db2.gz PSNLVUCEIPDXKY-FUHWJXTLSA-N 2 0 382.474 3.889 20 30 GHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](CC)CC2)cc1 ZINC000121391508 918042387 /nfs/dbraw/zinc/04/23/87/918042387.db2.gz SUMOTRANYXVYJB-MJGOQNOKSA-N 2 0 379.976 3.742 20 30 GHEDRP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000924695045 1017004109 /nfs/dbraw/zinc/00/41/09/1017004109.db2.gz IDNWNKLOEDZGPS-QRVBRYPASA-N 2 0 390.572 3.522 20 30 GHEDRP C[NH+](C)Cc1cc(C[NH+](C)C)c(O[C@@H](CC#N)c2ccccc2)c(C[NH+](C)C)c1 ZINC001227161838 1032300557 /nfs/dbraw/zinc/30/05/57/1032300557.db2.gz XNGWCDFHOBSLKG-QHCPKHFHSA-N 3 0 394.563 3.905 20 30 GHEDRP N#Cc1ccc(F)c(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001162933253 1025971426 /nfs/dbraw/zinc/97/14/26/1025971426.db2.gz BTNXLBQCMKVGFO-HXUWFJFHSA-N 2 0 378.495 3.611 20 30 GHEDRP C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC001203902813 1027696918 /nfs/dbraw/zinc/69/69/18/1027696918.db2.gz LHQXXIOWWQMFNN-FQEVSTJZSA-N 2 0 381.545 3.875 20 30 GHEDRP CCC[NH+](CCC)CCCN1CC[NH+](Cc2c[nH]c3cc(C#N)ccc23)CC1 ZINC001142926686 1029702604 /nfs/dbraw/zinc/70/26/04/1029702604.db2.gz XYZFDYKCIHSYGU-UHFFFAOYSA-N 2 0 381.568 3.669 20 30 GHEDRP N#Cc1c(NC(=O)[C@@H]([NH3+])CCCC[NH3+])oc(-c2ccccc2)c1-c1ccccc1 ZINC001218553951 1030984628 /nfs/dbraw/zinc/98/46/28/1030984628.db2.gz OEFQHJCUUHUMAW-IBGZPJMESA-N 2 0 388.471 3.880 20 30 GHEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC001157873654 1033807499 /nfs/dbraw/zinc/80/74/99/1033807499.db2.gz GVNRKCZRRVDUEV-FQEVSTJZSA-N 2 0 380.536 3.656 20 30 GHEDRP C[NH+]1CCN(c2ccc(Nc3ccc(C4CC[NH2+]CC4)cc3)cc2C#N)CC1 ZINC001159527922 1034641182 /nfs/dbraw/zinc/64/11/82/1034641182.db2.gz KJFUKGOWKKGMBW-UHFFFAOYSA-N 2 0 375.520 3.521 20 30 GHEDRP N#Cc1ccc(CCC[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)cc1 ZINC001208862350 1035064698 /nfs/dbraw/zinc/06/46/98/1035064698.db2.gz VXJPOBUBVWWZEM-UHFFFAOYSA-N 2 0 389.543 3.858 20 30 GHEDRP C=CCN1CC[C@@]2(C[N@H+]([C@@H]3C[C@@H](CC)[NH2+][C@@H](CC)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246705179 1037557911 /nfs/dbraw/zinc/55/79/11/1037557911.db2.gz XLWAIFCRRKMATD-JRYGSTJPSA-N 2 0 395.591 3.800 20 30 GHEDRP CCc1cc(C#N)ccc1CN1CCc2ccc(OC)cc2C12CC[NH2+]CC2 ZINC001235023965 1040515601 /nfs/dbraw/zinc/51/56/01/1040515601.db2.gz HZFFKAURWHYLRD-UHFFFAOYSA-N 2 0 375.516 3.766 20 30 GHEDRP C=CCOC(=O)N1CCC(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255135639 1040836404 /nfs/dbraw/zinc/83/64/04/1040836404.db2.gz KKFQSIFGMNGQTI-NUNAXRQHSA-N 2 0 397.563 3.806 20 30 GHEDRP C=CCOC(=O)N1CCC2(C[NH+]([C@@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)CC1 ZINC001255399424 1040985184 /nfs/dbraw/zinc/98/51/84/1040985184.db2.gz RRIUSJXMVTYGCU-JOCHJYFZSA-N 2 0 397.563 3.762 20 30 GHEDRP CCCCCCC[C@H](C)[N@@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001258046954 1044368909 /nfs/dbraw/zinc/36/89/09/1044368909.db2.gz GHEZWNGFFZRBSC-FQEVSTJZSA-N 2 0 391.604 3.845 20 30 GHEDRP C[C@H]1C[C@@H](CC[NH2+]CCC(=O)Nc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC001261436926 1045998505 /nfs/dbraw/zinc/99/85/05/1045998505.db2.gz OWLUYJHSEHFHPQ-SIKLNZKXSA-N 2 0 390.531 3.777 20 30 GHEDRP N#Cc1ccc(C[NH2+]CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)cc1F ZINC001308818197 1050106116 /nfs/dbraw/zinc/10/61/16/1050106116.db2.gz ACVYQHGTNHPBKI-UHFFFAOYSA-N 2 0 396.466 3.650 20 30 GHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCc2ccc(C#N)cc2)CC1 ZINC001473340861 1073927450 /nfs/dbraw/zinc/92/74/50/1073927450.db2.gz NAKKJODPCNKJPM-GOSISDBHSA-N 2 0 380.511 3.733 20 30 GHEDRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000433329965 844022163 /nfs/dbraw/zinc/02/21/63/844022163.db2.gz ACVQHSUIGZLEJD-UHFFFAOYSA-N 2 0 394.567 3.706 20 30 GHEDRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000580196784 837313228 /nfs/dbraw/zinc/31/32/28/837313228.db2.gz BZSAQUIZDARIIO-UHFFFAOYSA-N 2 0 379.464 3.600 20 30 GHEDRP Cc1ccc[n+](C(C(=O)c2ccccc2C)C(=S)NCC(C)(C)C[NH+](C)C)c1 ZINC000170715455 838707210 /nfs/dbraw/zinc/70/72/10/838707210.db2.gz IZIMJLGGGBULTL-UHFFFAOYSA-O 2 0 398.596 3.707 20 30 GHEDRP C#CCCOc1ccc(C[NH2+]Cc2ccc(CN3CC[NH+](CC)CC3)cc2)cc1 ZINC000236962317 845032797 /nfs/dbraw/zinc/03/27/97/845032797.db2.gz BTHMBCNUVDDYII-UHFFFAOYSA-N 2 0 391.559 3.516 20 30 GHEDRP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000072097330 846430970 /nfs/dbraw/zinc/43/09/70/846430970.db2.gz JGSYTCKNWKVRNF-LJQANCHMSA-N 2 0 390.531 3.729 20 30 GHEDRP N#CC1(c2ccccc2)CCC([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000272760124 847164358 /nfs/dbraw/zinc/16/43/58/847164358.db2.gz PZZWARZLGRSRKM-BQCMWAFGSA-N 2 0 389.543 3.747 20 30 GHEDRP C=CCOc1c(Br)cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000435440084 850530025 /nfs/dbraw/zinc/53/00/25/850530025.db2.gz ZFVBZDRVBFEMTR-HNNXBMFYSA-N 2 0 383.330 3.596 20 30 GHEDRP COc1ccc(NC(=[NH2+])NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000262014798 851149283 /nfs/dbraw/zinc/14/92/83/851149283.db2.gz KQYUNIWOINDCLE-AUUYWEPGSA-N 2 0 390.890 3.907 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000112719956 854300788 /nfs/dbraw/zinc/30/07/88/854300788.db2.gz VRSJLJZTJKVFTO-UHFFFAOYSA-N 2 0 398.595 3.902 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)CC1 ZINC000106270693 855204947 /nfs/dbraw/zinc/20/49/47/855204947.db2.gz ZSEQRGQGQADJOZ-UHFFFAOYSA-N 2 0 398.595 3.758 20 30 GHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000133174361 855495557 /nfs/dbraw/zinc/49/55/57/855495557.db2.gz YYDMPPFRJIZZGN-ROUUACIJSA-N 2 0 378.944 3.969 20 30 GHEDRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000174450779 857308810 /nfs/dbraw/zinc/30/88/10/857308810.db2.gz BQGOUWQJIIYUCL-UHFFFAOYSA-N 2 0 385.471 3.721 20 30 GHEDRP CC(C)(C#N)c1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000594498715 858193619 /nfs/dbraw/zinc/19/36/19/858193619.db2.gz UIRKXUDJYPCATM-UHFFFAOYSA-N 2 0 377.532 3.734 20 30 GHEDRP C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000594919980 858304956 /nfs/dbraw/zinc/30/49/56/858304956.db2.gz LPUFNXQLLNJLEX-SFHVURJKSA-N 2 0 392.522 3.983 20 30 GHEDRP N#CCCn1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c(-c2ccccc2)n1 ZINC000595000076 858362525 /nfs/dbraw/zinc/36/25/25/858362525.db2.gz BSUACULOKOVVQO-UHFFFAOYSA-N 2 0 377.536 3.675 20 30 GHEDRP C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000161173947 859660905 /nfs/dbraw/zinc/66/09/05/859660905.db2.gz SDIJPLMSFBDNEZ-LJQANCHMSA-N 2 0 378.516 3.506 20 30 GHEDRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)CC3(C#N)CCOCC3)CC2)cc1 ZINC000602532099 860100918 /nfs/dbraw/zinc/10/09/18/860100918.db2.gz JXLPXYLJTXQBDB-LJQANCHMSA-N 2 0 385.552 3.596 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)N(CCC)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000171739914 865351464 /nfs/dbraw/zinc/35/14/64/865351464.db2.gz DZDGCVDQAFHZPB-QHCPKHFHSA-N 2 0 398.595 3.723 20 30 GHEDRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000463298116 871362628 /nfs/dbraw/zinc/36/26/28/871362628.db2.gz UXHZICLDCZQPTI-YJBOKZPZSA-N 2 0 380.458 3.629 20 30 GHEDRP CC[NH+](CC)CCCC1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000182744683 872726528 /nfs/dbraw/zinc/72/65/28/872726528.db2.gz IJZPBKLIUBUGDJ-UHFFFAOYSA-N 2 0 381.524 3.942 20 30 GHEDRP C[NH+]1CCN(c2cc(Nc3nc(-c4ccc(C#N)s4)cs3)cc[nH+]2)CC1 ZINC001201659467 875818974 /nfs/dbraw/zinc/81/89/74/875818974.db2.gz ZTKGALFANQBSIA-UHFFFAOYSA-N 2 0 382.518 3.634 20 30 GHEDRP [NH2+]=C(Nc1ccc([C@]23CC[NH2+][C@@H]2COCC3)cc1)c1ccc2cc(O)ccc2c1 ZINC001171185318 902209439 /nfs/dbraw/zinc/20/94/39/902209439.db2.gz UYKPBQTZRKEQBY-ISKFKSNPSA-N 2 0 387.483 3.602 20 30 GHEDRP C=CCOC(=O)N1CCC2(CCC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)CC1 ZINC001172113813 905362221 /nfs/dbraw/zinc/36/22/21/905362221.db2.gz MRGPYEJJHHRQMV-ACDBMABISA-N 2 0 375.557 3.502 20 30 GHEDRP CCc1cccc(NC(=[NH2+])NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000303882533 915295203 /nfs/dbraw/zinc/29/52/03/915295203.db2.gz IDWDEOPJNXXKSW-ROUUACIJSA-N 2 0 380.536 3.785 20 30 GHEDRP Cc1ccc(NC(=[NH2+])NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1C ZINC000303906054 915306686 /nfs/dbraw/zinc/30/66/86/915306686.db2.gz VVDCFTJUKBWYBC-RTBURBONSA-N 2 0 380.536 3.839 20 30 GHEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000304475377 915516395 /nfs/dbraw/zinc/51/63/95/915516395.db2.gz HBWABCYQGOLGCK-XMSQKQJNSA-N 2 0 392.547 3.989 20 30 GHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)N[C@H](C)c2cc(C#N)ccn2)CC1 ZINC000902794080 922501631 /nfs/dbraw/zinc/50/16/31/922501631.db2.gz SLHUQDSKMLDRCE-DLBZAZTESA-N 2 0 381.499 3.646 20 30 GHEDRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1C#N ZINC000781422968 930838620 /nfs/dbraw/zinc/83/86/20/930838620.db2.gz OEGGGXQWMRGIAC-AKIFATBCSA-N 2 0 375.516 3.957 20 30 GHEDRP C(#CC[NH+]1CCC(OC2CCCC2)CC1)C[NH+]1CCC(OC2CCCC2)CC1 ZINC000560159137 933099580 /nfs/dbraw/zinc/09/95/80/933099580.db2.gz JNBYTOOPAOWXLL-UHFFFAOYSA-N 2 0 388.596 3.837 20 30 GHEDRP CC[C@H](C#N)Oc1cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)ccc1OC ZINC000838956169 1025472140 /nfs/dbraw/zinc/47/21/40/1025472140.db2.gz UZDBZHKSODNMAY-HXUWFJFHSA-N 2 0 380.492 3.530 20 30 GHEDRP [NH2+]=C(Nc1cccc2cc([C@H]3C[NH2+]CCO3)cn21)c1ccc(C(F)(F)F)cc1 ZINC001163683827 1026281692 /nfs/dbraw/zinc/28/16/92/1026281692.db2.gz KNKOWYDZCWPVPQ-QGZVFWFLSA-N 2 0 388.393 3.656 20 30 GHEDRP C[C@H](C[NH+](C)C)Nc1ncccc1C1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001163774477 1026312695 /nfs/dbraw/zinc/31/26/95/1026312695.db2.gz ZACWZJONBWYFLY-LJQANCHMSA-N 2 0 377.536 3.501 20 30 GHEDRP C[NH+]1CCC(C[NH+]2CCC(C#N)(c3ccc(Br)cc3)CC2)CC1 ZINC001207398317 1034342395 /nfs/dbraw/zinc/34/23/95/1034342395.db2.gz HIZDELNUVSNZFC-UHFFFAOYSA-N 2 0 376.342 3.648 20 30 GHEDRP N#Cc1ccc(CC[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)cc1 ZINC001208923359 1035090506 /nfs/dbraw/zinc/09/05/06/1035090506.db2.gz PHCLEGUEFMWQDB-RPBOFIJWSA-N 2 0 393.575 3.561 20 30 GHEDRP C=CCOC[C@]12CCCO[C@H]1CC[N@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208945925 1035116638 /nfs/dbraw/zinc/11/66/38/1035116638.db2.gz OEROBBIHDGGOPY-KMDXXIMOSA-N 2 0 384.564 3.582 20 30 GHEDRP C=CCCCC[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2cccnc2)C1 ZINC001209200577 1035206773 /nfs/dbraw/zinc/20/67/73/1035206773.db2.gz LLSPWHCVBCGBMU-ZEQRLZLVSA-N 2 0 383.580 3.988 20 30 GHEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N(C1=CC(=O)CCC1)[C@H](C)c1ccccc1 ZINC001161509000 1035244909 /nfs/dbraw/zinc/24/49/09/1035244909.db2.gz KRXSWAYKDMNCLL-GCJKJVERSA-N 2 0 385.552 3.709 20 30 GHEDRP COc1cccc(CC2(C[NH2+][C@@H](C)Cc3cccc(C#N)c3)CC[NH2+]CC2)c1 ZINC001246381728 1037341083 /nfs/dbraw/zinc/34/10/83/1037341083.db2.gz VCUQVIXNDATKLS-IBGZPJMESA-N 2 0 377.532 3.700 20 30 GHEDRP C=CCOC(=O)N1CCCC2(CC[NH+](C3CCC4(CCC[NH2+]C4)CC3)CC2)C1 ZINC001246528557 1037462799 /nfs/dbraw/zinc/46/27/99/1037462799.db2.gz YXMPWSZPOXUXTQ-UHFFFAOYSA-N 2 0 389.584 3.799 20 30 GHEDRP N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@@H+]([C@@H]2CSC3(C[NH2+]C3)C2)C1 ZINC001246899182 1037712693 /nfs/dbraw/zinc/71/26/93/1037712693.db2.gz XBDKDBWBQUARSD-YADHBBJMSA-N 2 0 389.568 3.666 20 30 GHEDRP CCCCCCCC[C@@H](O)C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001252138946 1038889751 /nfs/dbraw/zinc/88/97/51/1038889751.db2.gz GHQPSZWEHRDXJC-JOCHJYFZSA-N 2 0 376.585 3.715 20 30 GHEDRP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccccc1CC#N)CC2 ZINC001235514382 1040970938 /nfs/dbraw/zinc/97/09/38/1040970938.db2.gz OZDKYOSTZLQKPC-NRFANRHFSA-N 2 0 379.504 3.601 20 30 GHEDRP C[NH+]1CCC(NC(=[NH2+])c2cc3ccc(OC(=O)c4cccs4)cc3s2)CC1 ZINC001256197279 1041642344 /nfs/dbraw/zinc/64/23/44/1041642344.db2.gz DDXDVPVAOPPOQA-UHFFFAOYSA-N 2 0 399.541 3.982 20 30 GHEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2ccccn2)C1 ZINC001258728999 1044735895 /nfs/dbraw/zinc/73/58/95/1044735895.db2.gz RVXTXJATEAHIOW-JCTONOIOSA-N 2 0 383.580 3.987 20 30 GHEDRP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+]Cc2cnc3c(C#N)cnn3c2)cc1 ZINC000549761763 844231699 /nfs/dbraw/zinc/23/16/99/844231699.db2.gz QMLOSJPRFBQYML-UHFFFAOYSA-N 2 0 396.498 3.619 20 30 GHEDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000158974262 839502696 /nfs/dbraw/zinc/50/26/96/839502696.db2.gz NRSAYMCWYKNNDQ-KRWDZBQOSA-N 2 0 388.581 3.925 20 30 GHEDRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCCc4cc(C#N)ccc43)cc2)CC1 ZINC000481928325 862534193 /nfs/dbraw/zinc/53/41/93/862534193.db2.gz QZWZRLOOGIEBDE-RUZDIDTESA-N 2 0 388.559 3.863 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)N(CC)[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000473961365 854440419 /nfs/dbraw/zinc/44/04/19/854440419.db2.gz WNIPSMUJBSWJKU-DENIHFKCSA-N 2 0 384.568 3.504 20 30 GHEDRP C[NH+](C)C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(Cl)cc1 ZINC000330425512 854669885 /nfs/dbraw/zinc/66/98/85/854669885.db2.gz GGGUMLIBKWDDSP-KRWDZBQOSA-N 2 0 380.964 3.756 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000592294723 856767426 /nfs/dbraw/zinc/76/74/26/856767426.db2.gz IZIVJZDOIQSEPM-HXUWFJFHSA-N 2 0 398.595 3.901 20 30 GHEDRP CC1(C)CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000595949017 858730080 /nfs/dbraw/zinc/73/00/80/858730080.db2.gz UULDQLXVWRCFPQ-FGZHOGPDSA-N 2 0 396.579 3.547 20 30 GHEDRP C[NH+]1CCN(c2ccccc2C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170359028 881413606 /nfs/dbraw/zinc/41/36/06/881413606.db2.gz MUVSBTCUSATLBC-UHFFFAOYSA-N 2 0 388.559 3.932 20 30 GHEDRP C[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CCN1c1cc[nH+]cc1 ZINC000895557405 859651760 /nfs/dbraw/zinc/65/17/60/859651760.db2.gz PDRHISUVQXOQNO-LJQANCHMSA-N 2 0 386.503 3.569 20 30 GHEDRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(c3c[nH]c4ccc(F)cc43)CC2)CC1 ZINC000329219881 861155119 /nfs/dbraw/zinc/15/51/19/861155119.db2.gz BBEZVABAFMHUDF-UHFFFAOYSA-N 2 0 386.515 3.927 20 30 GHEDRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000120823519 881774374 /nfs/dbraw/zinc/77/43/74/881774374.db2.gz GTRYXFVUYXDELK-HXUWFJFHSA-N 2 0 379.552 3.921 20 30 GHEDRP Cc1c2ccccc2oc1CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000262521860 866222990 /nfs/dbraw/zinc/22/29/90/866222990.db2.gz NYQOWJMHTUTCIV-UHFFFAOYSA-N 2 0 376.504 3.810 20 30 GHEDRP [NH2+]=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)Nc1ccc2c(c1)CCC2 ZINC000305775158 866641496 /nfs/dbraw/zinc/64/14/96/866641496.db2.gz NFBRHTHLRVJFLL-UHFFFAOYSA-N 2 0 392.547 3.619 20 30 GHEDRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccc(C#N)c(OC)c3)CC2)cc1 ZINC000440812354 868668585 /nfs/dbraw/zinc/66/85/85/868668585.db2.gz UAEQEPQCKOOPEL-UHFFFAOYSA-N 2 0 379.504 3.577 20 30 GHEDRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3ccc(C#N)s3)cc2)C[C@H]1C ZINC000539554029 869356879 /nfs/dbraw/zinc/35/68/79/869356879.db2.gz NWXPXMITTWQZCI-QZTJIDSGSA-N 2 0 383.561 3.919 20 30 GHEDRP CC[C@H]([NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1)c1ccc(C#N)cc1 ZINC000447543233 871813398 /nfs/dbraw/zinc/81/33/98/871813398.db2.gz LFPKUFPYHUQODR-DEOSSOPVSA-N 2 0 376.548 3.937 20 30 GHEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3ccc(C#N)c(F)c3)cc2)CC1 ZINC000540707279 871946270 /nfs/dbraw/zinc/94/62/70/871946270.db2.gz ROMDPNGMYRCODB-SFHVURJKSA-N 2 0 380.511 3.686 20 30 GHEDRP N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(CCC[NH+]4CCCC4)CC3)C2=O)cc1 ZINC000492726020 877425342 /nfs/dbraw/zinc/42/53/42/877425342.db2.gz ATKMABMUGYYXQJ-HSZRJFAPSA-N 2 0 394.563 3.642 20 30 GHEDRP N#Cc1c[nH]c2cc(-n3cc(CC[NH+]4CCC([NH3+])CC4)c4ccccc43)ccc12 ZINC001170527764 885563364 /nfs/dbraw/zinc/56/33/64/885563364.db2.gz AWVOSAQQOIMXIR-UHFFFAOYSA-N 2 0 383.499 3.949 20 30 GHEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]C[C@H](O)c3ccc(C#N)cc3)cc2)C1 ZINC000763230217 888365246 /nfs/dbraw/zinc/36/52/46/888365246.db2.gz GMZJLBBSEZYWGC-GLDPYIMESA-N 2 0 377.532 3.859 20 30 GHEDRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000127423724 891052287 /nfs/dbraw/zinc/05/22/87/891052287.db2.gz GOJOJLFGWIROHS-UHFFFAOYSA-N 2 0 398.595 3.548 20 30 GHEDRP C[C@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000537294827 894719449 /nfs/dbraw/zinc/71/94/49/894719449.db2.gz HCOLJIIOMFALFI-NRFANRHFSA-N 2 0 376.548 3.807 20 30 GHEDRP C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000571657763 899941521 /nfs/dbraw/zinc/94/15/21/899941521.db2.gz BYOOQNPFVNNSJU-RTBURBONSA-N 2 0 391.629 3.563 20 30 GHEDRP C[NH+](C)Cc1c[nH]c2nccc(NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c12 ZINC001171278187 903554579 /nfs/dbraw/zinc/55/45/79/903554579.db2.gz XSVUPQRAIBHMHY-UHFFFAOYSA-N 2 0 388.519 3.595 20 30 GHEDRP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172114043 905363772 /nfs/dbraw/zinc/36/37/72/905363772.db2.gz OFXAZCKQRMOHSZ-PMOLBWCYSA-N 2 0 375.557 3.502 20 30 GHEDRP C/C(NC1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001173677496 906615894 /nfs/dbraw/zinc/61/58/94/906615894.db2.gz ATUWWIWSMNMJPI-HZPDHXFCSA-N 2 0 388.556 3.830 20 30 GHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000192155091 907481876 /nfs/dbraw/zinc/48/18/76/907481876.db2.gz DSANWWFHSIWMFS-INIZCTEOSA-N 2 0 384.474 3.829 20 30 GHEDRP N#Cc1ccc([C@H](O)CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000248008087 911590144 /nfs/dbraw/zinc/59/01/44/911590144.db2.gz KZWHCXKZPMNNET-TZRRMPRUSA-N 2 0 375.516 3.578 20 30 GHEDRP COc1ccc(NC(=[NH2+])NCc2ccc(C[NH+]3CCCCC3)cc2)cc1OC ZINC000303781531 915126085 /nfs/dbraw/zinc/12/60/85/915126085.db2.gz MJDVJMLMABIMEU-UHFFFAOYSA-N 2 0 382.508 3.617 20 30 GHEDRP CC[NH+](CC)CCOc1ccc(CNC(=[NH2+])Nc2cccc(C)c2)cc1OC ZINC000303901320 915303662 /nfs/dbraw/zinc/30/36/62/915303662.db2.gz SQMUEPRTELKTLM-UHFFFAOYSA-N 2 0 384.524 3.651 20 30 GHEDRP COc1ccc(NC(=[NH2+])NCc2cccc(C[NH+]3CCC(C)CC3)c2)cc1OC ZINC000303988533 915349786 /nfs/dbraw/zinc/34/97/86/915349786.db2.gz WTGRGPSAVKLCPY-UHFFFAOYSA-N 2 0 396.535 3.863 20 30 GHEDRP C=CCCCCC[C@H]([NH3+])C(=O)N(Cc1cccc(OC)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221186085 1032321652 /nfs/dbraw/zinc/32/16/52/1032321652.db2.gz MTBPBOQDUJUIEZ-ONTIZHBOSA-N 2 0 387.568 3.758 20 30 GHEDRP C=C(CC[NH+](C)C)C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001141189456 1024054061 /nfs/dbraw/zinc/05/40/61/1024054061.db2.gz GPMYVTCNEWESPY-QFIPXVFZSA-N 2 0 383.580 3.644 20 30 GHEDRP C[NH+](C)CCOc1ccc(C[NH+]2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC001138772900 1025343693 /nfs/dbraw/zinc/34/36/93/1025343693.db2.gz IRYOEAPGIXQILU-UHFFFAOYSA-N 2 0 379.504 3.542 20 30 GHEDRP C=CCN1C(=O)CCC[C@@]12CCC[N@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207289714 1034240778 /nfs/dbraw/zinc/24/07/78/1034240778.db2.gz WXSJTLMQEGDBNY-VWLOTQADSA-N 2 0 395.591 3.932 20 30 GHEDRP N#Cc1cnc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)c(Cl)c1 ZINC001159459934 1034603827 /nfs/dbraw/zinc/60/38/27/1034603827.db2.gz HVIJZSCEOFQPHV-UHFFFAOYSA-N 2 0 379.895 3.516 20 30 GHEDRP CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001231821170 1034929526 /nfs/dbraw/zinc/92/95/26/1034929526.db2.gz ROXIJPYCUKIECD-DNQXCXABSA-N 2 0 388.559 3.990 20 30 GHEDRP C=CCN1C(=O)CCC[C@@]12CCC[N@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208938109 1035104870 /nfs/dbraw/zinc/10/48/70/1035104870.db2.gz UVSBOAPMPWHGDX-ZCYQVOJMSA-N 2 0 395.591 3.932 20 30 GHEDRP C=CCCCCCCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001209440267 1035274539 /nfs/dbraw/zinc/27/45/39/1035274539.db2.gz BNTVTBZOKOXTJQ-VJBWXMMDSA-N 2 0 385.600 3.980 20 30 GHEDRP C[NH+](C)CCCOc1ccc(-c2ccc(OC3CC[NH2+]CC3)c(C#N)c2)cc1 ZINC001245339857 1036887187 /nfs/dbraw/zinc/88/71/87/1036887187.db2.gz UBNXPCCAGFYYOQ-UHFFFAOYSA-N 2 0 379.504 3.687 20 30 GHEDRP C=CCCCCCC[C@H](O)C[NH+]1CC[C@]2(C1)C[N@H+](C)C[C@@H]2COCC1CC1 ZINC001253237833 1039494909 /nfs/dbraw/zinc/49/49/09/1039494909.db2.gz NJWCVLYBQCNMCZ-XPWALMASSA-N 2 0 378.601 3.554 20 30 GHEDRP C=CCOc1ccccc1[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254051570 1039976663 /nfs/dbraw/zinc/97/66/63/1039976663.db2.gz RFKPRVUXUMJSRO-HXUWFJFHSA-N 2 0 380.532 3.929 20 30 GHEDRP N#Cc1ccc(C[NH+]2CCC3(CC2)C[NH2+]Cc2ccccc23)c(Br)c1 ZINC001235085671 1040572214 /nfs/dbraw/zinc/57/22/14/1040572214.db2.gz CUDGNCNZKASBJM-UHFFFAOYSA-N 2 0 396.332 3.958 20 30 GHEDRP N#Cc1ccc(C[NH+]2CCC3(CC2)C[NH2+]Cc2ccccc23)cc1Br ZINC001235090063 1040578227 /nfs/dbraw/zinc/57/82/27/1040578227.db2.gz KBDFLVROOQNNCP-UHFFFAOYSA-N 2 0 396.332 3.958 20 30 GHEDRP N#Cc1ccc(C[N@H+]([C@@H]2CCN(Cc3ccccc3)C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001255106197 1040787603 /nfs/dbraw/zinc/78/76/03/1040787603.db2.gz OIIQOYXQSNJENK-UBFVSLLYSA-N 2 0 388.559 3.905 20 30 GHEDRP C=CCC[N@H+](Cc1ccccc1)Cc1cnc2cc(C3CC[NH2+]CC3)nn2c1 ZINC001235703031 1041183043 /nfs/dbraw/zinc/18/30/43/1041183043.db2.gz OTRJWKLPSQQEKL-UHFFFAOYSA-N 2 0 375.520 3.775 20 30 GHEDRP C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1cn3cc(C#N)ccc3n1)CC2 ZINC001237605121 1042278726 /nfs/dbraw/zinc/27/87/26/1042278726.db2.gz VMDJNLFRGYBFAY-NRFANRHFSA-N 2 0 389.503 3.676 20 30 GHEDRP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc(C(=O)N3CC[NH2+]CC3)cc2)cc1 ZINC001240135581 1042895363 /nfs/dbraw/zinc/89/53/63/1042895363.db2.gz MHEFGGWOILBAOP-HSZRJFAPSA-N 2 0 375.516 3.722 20 30 GHEDRP C=CCC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccco1 ZINC000414333286 837190534 /nfs/dbraw/zinc/19/05/34/837190534.db2.gz FFAIUNVJZHJMKK-OAQYLSRUSA-N 2 0 381.520 3.774 20 30 GHEDRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000603857044 861281592 /nfs/dbraw/zinc/28/15/92/861281592.db2.gz OUHYQMVJUADENT-UHFFFAOYSA-N 2 0 398.595 3.994 20 30 GHEDRP C(#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1)C[NH+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661876461 842273594 /nfs/dbraw/zinc/27/35/94/842273594.db2.gz UDWIFJJOGNOQJQ-WAPCQROESA-N 2 0 388.596 3.552 20 30 GHEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3ccc(C#N)c(F)c3)cc2)CC1 ZINC000540707278 846899540 /nfs/dbraw/zinc/89/95/40/846899540.db2.gz ROMDPNGMYRCODB-GOSISDBHSA-N 2 0 380.511 3.686 20 30 GHEDRP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501786579 847184006 /nfs/dbraw/zinc/18/40/06/847184006.db2.gz SLOBFNZEVOCEFZ-GOSISDBHSA-N 2 0 377.598 3.705 20 30 GHEDRP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000488377481 851429101 /nfs/dbraw/zinc/42/91/01/851429101.db2.gz SDGHRHALGJTVEW-SFHVURJKSA-N 2 0 377.598 3.705 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2Cl)[NH+](CC)CC)CC1 ZINC000518014943 852733335 /nfs/dbraw/zinc/73/33/35/852733335.db2.gz HBWISSDPAYAZJR-HXUWFJFHSA-N 2 0 392.975 3.673 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+]CC2(C)CC[NH2+]CC2)cc1OCC ZINC000414904218 853106002 /nfs/dbraw/zinc/10/60/02/853106002.db2.gz MJTMDTCOKWIUDI-UHFFFAOYSA-N 2 0 397.357 3.892 20 30 GHEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(C4(C#N)CC4)cc3)cc2)CC1 ZINC000594927158 858306712 /nfs/dbraw/zinc/30/67/12/858306712.db2.gz YOIGNBKYGTYBNS-UHFFFAOYSA-N 2 0 388.559 3.669 20 30 GHEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCCc4cc(C#N)ccc43)cc2)CC1 ZINC000611390667 859735182 /nfs/dbraw/zinc/73/51/82/859735182.db2.gz NMAFUFBHVASYFO-VWLOTQADSA-N 2 0 388.559 3.863 20 30 GHEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000123333420 859929384 /nfs/dbraw/zinc/92/93/84/859929384.db2.gz YWDRTOBLRGBIMM-KDURUIRLSA-N 2 0 387.531 3.974 20 30 GHEDRP CC(C)(C#N)C[C@H](O)C[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000598628041 860474688 /nfs/dbraw/zinc/47/46/88/860474688.db2.gz KORVFUJDQDSTCF-VXKWHMMOSA-N 2 0 383.580 3.910 20 30 GHEDRP Cc1cc(C#N)ccc1C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856604130 881581977 /nfs/dbraw/zinc/58/19/77/881581977.db2.gz JRMVJBAXZSMTKS-HSZRJFAPSA-N 2 0 378.520 3.755 20 30 GHEDRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540707108 871946578 /nfs/dbraw/zinc/94/65/78/871946578.db2.gz OXHKCXIMSWVNSA-WZONZLPQSA-N 2 0 380.511 3.727 20 30 GHEDRP CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC001211975240 888763175 /nfs/dbraw/zinc/76/31/75/888763175.db2.gz AJCIIFYBTPSIMU-PMACEKPBSA-N 2 0 386.540 3.876 20 30 GHEDRP N#CCOc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001137124177 893718502 /nfs/dbraw/zinc/71/85/02/893718502.db2.gz SNZGAOBHYGBPRR-PKTZIBPZSA-N 2 0 375.516 3.933 20 30 GHEDRP C[NH+](CC1=CCSC1)Cc1cc(C#N)cc(C[N@H+](C)CC2=CCSC2)c1 ZINC000878998766 894772901 /nfs/dbraw/zinc/77/29/01/894772901.db2.gz UWZITGHHRNRMMD-UHFFFAOYSA-N 2 0 385.602 3.768 20 30 GHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000817984508 895992785 /nfs/dbraw/zinc/99/27/85/895992785.db2.gz ZHOBIVRJHLKLMF-KKXNLOMOSA-N 2 0 377.960 3.685 20 30 GHEDRP C[C@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000883343709 897510816 /nfs/dbraw/zinc/51/08/16/897510816.db2.gz WNEAVUMIEIULIC-SFHVURJKSA-N 2 0 381.495 3.765 20 30 GHEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCC1(O)CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000883343309 897511465 /nfs/dbraw/zinc/51/14/65/897511465.db2.gz IIQMJLUSTWKFTB-QHCPKHFHSA-N 2 0 375.516 3.552 20 30 GHEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1C ZINC000331377943 898440669 /nfs/dbraw/zinc/44/06/69/898440669.db2.gz FLTOCZFTJYECDC-JKSUJKDBSA-N 2 0 388.581 3.632 20 30 GHEDRP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001171216285 902727939 /nfs/dbraw/zinc/72/79/39/902727939.db2.gz HGPYTBOXKBXXOA-OAQYLSRUSA-N 2 0 389.543 3.856 20 30 GHEDRP CC[NH+](CC)C1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172982115 906049801 /nfs/dbraw/zinc/04/98/01/906049801.db2.gz UABYMCQKFZTFFX-JEVOJNTISA-N 2 0 378.561 3.521 20 30 GHEDRP N#Cc1ccc(C[N@H+](C2CCN(CC(F)(F)F)CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001173666331 906603200 /nfs/dbraw/zinc/60/32/00/906603200.db2.gz NUATYYDELNEKEP-WGSAOQKQSA-N 2 0 394.485 3.657 20 30 GHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)N[C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000902794082 922500932 /nfs/dbraw/zinc/50/09/32/922500932.db2.gz SLHUQDSKMLDRCE-IRXDYDNUSA-N 2 0 381.499 3.646 20 30 GHEDRP C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411512685 926469609 /nfs/dbraw/zinc/46/96/09/926469609.db2.gz BNQNGKXZHADUIA-DOTOQJQBSA-N 2 0 388.943 3.783 20 30 GHEDRP C=CCOc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)cc1Cl ZINC000560612095 933386909 /nfs/dbraw/zinc/38/69/09/933386909.db2.gz XZDWPXKLNXQIAG-DFNIBXOVSA-N 2 0 378.944 3.978 20 30 GHEDRP [NH2+]=C(Nc1ccc([C@]23CC[NH2+][C@@H]2COCC3)cc1)c1ccc(C(F)(F)F)cc1 ZINC001163680109 1026280818 /nfs/dbraw/zinc/28/08/18/1026280818.db2.gz IQQXNXXRBJEEBI-UYAOXDASSA-N 2 0 389.421 3.762 20 30 GHEDRP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cc(C#N)ccc1F)CC2 ZINC001139646893 1026508508 /nfs/dbraw/zinc/50/85/08/1026508508.db2.gz AHJQZIZKVSTJPE-UHFFFAOYSA-N 2 0 378.495 3.969 20 30 GHEDRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC(C#N)(c4ccccc4F)CC3)c2)CC1 ZINC001158892121 1034322086 /nfs/dbraw/zinc/32/20/86/1034322086.db2.gz NBWOUFXGWKBSQX-UHFFFAOYSA-N 2 0 394.494 3.755 20 30 GHEDRP C[NH+]1CCC(COc2ccc(F)cc2Nc2cc(C#N)cc(C3C[NH2+]C3)c2)CC1 ZINC001160145318 1034879176 /nfs/dbraw/zinc/87/91/76/1034879176.db2.gz WSLYGVAIZKVJLC-UHFFFAOYSA-N 2 0 394.494 3.848 20 30 GHEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001160421641 1034968446 /nfs/dbraw/zinc/96/84/46/1034968446.db2.gz COEXUPZQBKEFDP-XXTHSBEZSA-N 2 0 398.595 3.604 20 30 GHEDRP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)[C@@H]2CC ZINC001208941986 1035112303 /nfs/dbraw/zinc/11/23/03/1035112303.db2.gz AYOJMEHMCAWXEY-OYRHQHFDSA-N 2 0 395.591 3.930 20 30 GHEDRP C=CCCCCC[NH+]1CCC2(C[C@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001209423889 1035272033 /nfs/dbraw/zinc/27/20/33/1035272033.db2.gz GCPIZIOFFYCQLU-JOCHJYFZSA-N 2 0 378.601 3.962 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]C[C@H]([NH3+])C(C)C ZINC001245999456 1037121046 /nfs/dbraw/zinc/12/10/46/1037121046.db2.gz ADKCCPAFWYYEJP-YADHBBJMSA-N 2 0 388.637 3.874 20 30 GHEDRP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3CC[NH2+][C@@H](CCCC)C3)C2)CC1 ZINC001246526766 1037456879 /nfs/dbraw/zinc/45/68/79/1037456879.db2.gz QXGIMMPYRKNDEF-PMACEKPBSA-N 2 0 377.573 3.798 20 30 GHEDRP COC(=O)c1cccc(C[N@H+]([C@H](C)Cc2cccc(C#N)c2)C2CC[NH2+]CC2)c1 ZINC001246958973 1037773588 /nfs/dbraw/zinc/77/35/88/1037773588.db2.gz QDFOWYZMBQVOGC-GOSISDBHSA-N 2 0 391.515 3.530 20 30 GHEDRP CN(C)c1ccc(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1C#N ZINC001233101920 1038880280 /nfs/dbraw/zinc/88/02/80/1038880280.db2.gz JTAMJXMPPOIQPO-IBGZPJMESA-N 2 0 380.511 3.717 20 30 GHEDRP C=CCC[C@@H](O)C[NH2+]CC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001252620322 1039049952 /nfs/dbraw/zinc/04/99/52/1039049952.db2.gz UGTUJAQUMMNVTB-LJQANCHMSA-N 2 0 381.358 3.578 20 30 GHEDRP N#CC1(c2ccc(Br)cc2)CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC001235757958 1041247338 /nfs/dbraw/zinc/24/73/38/1041247338.db2.gz AUZWAEOGZINKIJ-MRXNPFEDSA-N 2 0 376.342 3.696 20 30 GHEDRP C=CCN1CC[C@@]2(C[N@H+]([C@@H](C)CC[NH+](CC)CC)C[C@@H]2c2ccccc2)C1=O ZINC001255958931 1041436359 /nfs/dbraw/zinc/43/63/59/1041436359.db2.gz HRPYOBSIKAFUEB-FJIJXJHWSA-N 2 0 383.580 3.611 20 30 GHEDRP CC(=O)n1ccc2cc(C[C@@H](C)[NH2+]C3CC[NH+](CC(C)C)CC3)cc(C#N)c21 ZINC001258005942 1044332425 /nfs/dbraw/zinc/33/24/25/1044332425.db2.gz YEIHCIFOBGELLC-QGZVFWFLSA-N 2 0 380.536 3.814 20 30 GHEDRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001332362586 1051506667 /nfs/dbraw/zinc/50/66/67/1051506667.db2.gz YTOHWHHAACYRCA-MOPGFXCFSA-N 2 0 392.588 3.627 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C(C)C)C2)CC1 ZINC001311892717 1052461776 /nfs/dbraw/zinc/46/17/76/1052461776.db2.gz XNJHJFJQDPGTEO-HSZRJFAPSA-N 2 0 398.595 3.579 20 30 GHEDRP C=CCC1([NH2+]CC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)CCCCC1 ZINC001460632469 1069043388 /nfs/dbraw/zinc/04/33/88/1069043388.db2.gz XMCRTPLFLZRQGD-UHFFFAOYSA-N 2 0 384.568 3.636 20 30 GHEDRP COc1cccc(C2(C[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)CC2)c1 ZINC000580681769 837393713 /nfs/dbraw/zinc/39/37/13/837393713.db2.gz ZIOVUAUVVIPNLO-UHFFFAOYSA-N 2 0 375.516 3.853 20 30 GHEDRP CCC[N@H+](Cc1ccc(F)c(C#N)c1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000120917670 837440595 /nfs/dbraw/zinc/44/05/95/837440595.db2.gz YLWKPJMTSZWBFK-UHFFFAOYSA-N 2 0 381.499 3.985 20 30 GHEDRP N#Cc1ccc(C[NH+]2CCC(N(CC[NH3+])c3ccc4ccccc4n3)CC2)cc1 ZINC000414492863 838592321 /nfs/dbraw/zinc/59/23/21/838592321.db2.gz SCSREKHZWMCSTB-UHFFFAOYSA-N 2 0 385.515 3.536 20 30 GHEDRP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000501784020 847183126 /nfs/dbraw/zinc/18/31/26/847183126.db2.gz BMCZOFAXHBJBIN-NRFANRHFSA-N 2 0 398.595 3.992 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1OCC ZINC000414854905 849790809 /nfs/dbraw/zinc/79/08/09/849790809.db2.gz VKORWJVNHPNKHE-OAHLLOKOSA-N 2 0 397.357 3.892 20 30 GHEDRP C=CCC[C@H](NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)c1ccccc1 ZINC000435094560 850072649 /nfs/dbraw/zinc/07/26/49/850072649.db2.gz CMYRQVRGAAMGRL-QFIPXVFZSA-N 2 0 398.595 3.943 20 30 GHEDRP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000589310524 854803660 /nfs/dbraw/zinc/80/36/60/854803660.db2.gz HTXUZSROOGNZIA-UHFFFAOYSA-N 2 0 377.410 3.807 20 30 GHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(C#N)cc2C)CC1 ZINC000186321743 854882626 /nfs/dbraw/zinc/88/26/26/854882626.db2.gz VJIDNCCUEPHTDT-SFHVURJKSA-N 2 0 380.511 3.999 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000592313419 856775500 /nfs/dbraw/zinc/77/55/00/856775500.db2.gz JLNPICFPMQGLSW-FQEVSTJZSA-N 2 0 399.579 3.710 20 30 GHEDRP C[N@@H+]1C[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)[C@H](c2ccccc2)C1 ZINC000592376469 856790428 /nfs/dbraw/zinc/79/04/28/856790428.db2.gz REPYTAJWRMQJBI-VWNXMTODSA-N 2 0 399.542 3.899 20 30 GHEDRP C#CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000161173830 859662952 /nfs/dbraw/zinc/66/29/52/859662952.db2.gz SDIJPLMSFBDNEZ-IBGZPJMESA-N 2 0 378.516 3.506 20 30 GHEDRP C=C(C)COc1cccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000607057742 864017700 /nfs/dbraw/zinc/01/77/00/864017700.db2.gz KAXQQXZKTWNPOG-FQEVSTJZSA-N 2 0 388.556 3.521 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC1 ZINC000171716858 865342669 /nfs/dbraw/zinc/34/26/69/865342669.db2.gz PHIOSFJRUACEOG-UHFFFAOYSA-N 2 0 377.532 3.699 20 30 GHEDRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccc(OC)c(C#N)c3)CC2)cc1 ZINC000174323020 865705589 /nfs/dbraw/zinc/70/55/89/865705589.db2.gz PWNJWSVOKRTKSD-UHFFFAOYSA-N 2 0 379.504 3.577 20 30 GHEDRP FC(F)(F)Oc1ccc(C#CC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000154197041 867292365 /nfs/dbraw/zinc/29/23/65/867292365.db2.gz ZDDUAYXSFJXMJF-UHFFFAOYSA-N 2 0 396.453 3.514 20 30 GHEDRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000540708512 871948818 /nfs/dbraw/zinc/94/88/18/871948818.db2.gz YTETXUXBYOJGKH-LJQANCHMSA-N 2 0 380.511 3.950 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC(C)C)CC1 ZINC000528451328 874597257 /nfs/dbraw/zinc/59/72/57/874597257.db2.gz XECFWAHYNLIAFV-FYYLOGMGSA-N 2 0 383.580 3.547 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)CN(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000531057124 879031249 /nfs/dbraw/zinc/03/12/49/879031249.db2.gz QMBYUZWRVPVRRL-UHFFFAOYSA-N 2 0 391.559 3.846 20 30 GHEDRP COc1ccc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cc1OCCCC#N ZINC000064614125 883753608 /nfs/dbraw/zinc/75/36/08/883753608.db2.gz OTGJIMPWYJCQKS-UHFFFAOYSA-N 2 0 397.519 3.608 20 30 GHEDRP C=CCc1c(Cl)ncnc1-n1cc(CC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC001170524900 885456512 /nfs/dbraw/zinc/45/65/12/885456512.db2.gz OMQCPFRXCFNXMV-UHFFFAOYSA-N 2 0 395.938 3.768 20 30 GHEDRP N#Cc1cnc(Cl)c(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000877086503 893477623 /nfs/dbraw/zinc/47/76/23/893477623.db2.gz ORTIILIUHHUIRF-UHFFFAOYSA-N 2 0 398.938 3.768 20 30 GHEDRP C[NH+](CCc1ccncc1)Cc1cc(C#N)cc(C[N@H+](C)CCc2ccncc2)c1 ZINC000878335670 894202114 /nfs/dbraw/zinc/20/21/14/894202114.db2.gz RYYWASNXQRXLCV-UHFFFAOYSA-N 2 0 399.542 3.697 20 30 GHEDRP C[C@@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000537294831 894719672 /nfs/dbraw/zinc/71/96/72/894719672.db2.gz HCOLJIIOMFALFI-OAQYLSRUSA-N 2 0 376.548 3.807 20 30 GHEDRP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001171213097 902707828 /nfs/dbraw/zinc/70/78/28/902707828.db2.gz UIQDHZPRVUQCJI-UGKGYDQZSA-N 2 0 393.531 3.838 20 30 GHEDRP C[NH+]=C(NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)NC[C@]1(C)CCCS1 ZINC000159237015 902754063 /nfs/dbraw/zinc/75/40/63/902754063.db2.gz WASCNDJWBMEWIJ-IEZWGBDMSA-N 2 0 380.627 3.582 20 30 GHEDRP COC(=O)[C@H]1CCC[C@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172781188 905821943 /nfs/dbraw/zinc/82/19/43/905821943.db2.gz MESLLVGBBMJCDW-CMOCDZPBSA-N 2 0 383.536 3.752 20 30 GHEDRP COC(=O)[C@@H]1CCC[C@@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172781190 905822124 /nfs/dbraw/zinc/82/21/24/905822124.db2.gz MESLLVGBBMJCDW-GXRSIYKFSA-N 2 0 383.536 3.752 20 30 GHEDRP C[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)N(C)Cc1ccccc1 ZINC000304737989 915667047 /nfs/dbraw/zinc/66/70/47/915667047.db2.gz AOXNKOKOMNBGRY-AWEZNQCLSA-N 2 0 380.414 3.832 20 30 GHEDRP Cc1cc(C)cc(NC(=[NH2+])NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c1 ZINC000304738642 915668338 /nfs/dbraw/zinc/66/83/38/915668338.db2.gz AVCWIBDUWDUMJR-IBGZPJMESA-N 2 0 380.536 3.930 20 30 GHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](CC)CC2)cc1 ZINC000121391386 918041570 /nfs/dbraw/zinc/04/15/70/918041570.db2.gz SUMOTRANYXVYJB-HKUYNNGSSA-N 2 0 379.976 3.742 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1OC ZINC000470020224 930320336 /nfs/dbraw/zinc/32/03/36/930320336.db2.gz YARZNRVVESOIEH-CYBMUJFWSA-N 2 0 383.330 3.582 20 30 GHEDRP C=CCOC(=O)N1CCC2(CCC[N@H+](CCC[NH2+]C3CCCCC3)C2)CC1 ZINC001204843085 1033118501 /nfs/dbraw/zinc/11/85/01/1033118501.db2.gz KTFPSOZTPHFJTC-UHFFFAOYSA-N 2 0 377.573 3.799 20 30 GHEDRP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccc(-n3ccnc3C)cc1)C2 ZINC001138544476 1024988538 /nfs/dbraw/zinc/98/85/38/1024988538.db2.gz JGTHGRQPTCKWBM-QHCPKHFHSA-N 2 0 378.520 3.714 20 30 GHEDRP [NH2+]=C(Nc1ccc([C@@]23CC[NH2+][C@@H]2COCC3)cc1)c1ccc(C(F)(F)F)cc1 ZINC001163680105 1026281146 /nfs/dbraw/zinc/28/11/46/1026281146.db2.gz IQQXNXXRBJEEBI-QUCCMNQESA-N 2 0 389.421 3.762 20 30 GHEDRP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC001203901401 1027694094 /nfs/dbraw/zinc/69/40/94/1027694094.db2.gz MTLRGNCGEOHBON-HSZRJFAPSA-N 2 0 375.516 3.814 20 30 GHEDRP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC001203901404 1027694931 /nfs/dbraw/zinc/69/49/31/1027694931.db2.gz MTLRGNCGEOHBON-QHCPKHFHSA-N 2 0 375.516 3.814 20 30 GHEDRP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccc(F)c(C#N)c1)CC2 ZINC001205467223 1033425809 /nfs/dbraw/zinc/42/58/09/1033425809.db2.gz MIXNUYICBWKTML-UHFFFAOYSA-N 2 0 378.495 3.969 20 30 GHEDRP C[N@@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O[C@H](CC#N)C[N+](C)(C)C)c1-3 ZINC001230129008 1033911883 /nfs/dbraw/zinc/91/18/83/1033911883.db2.gz CFHYJFPNQCYEHN-UYAOXDASSA-O 2 0 392.523 3.512 20 30 GHEDRP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207291531 1034243373 /nfs/dbraw/zinc/24/33/73/1034243373.db2.gz RLQJAMBGEMKWEC-DNQXCXABSA-N 2 0 384.564 3.725 20 30 GHEDRP Cc1cc(Cl)nc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)c1C#N ZINC001159460404 1034605760 /nfs/dbraw/zinc/60/57/60/1034605760.db2.gz UJKGPNBZPHOOBH-UHFFFAOYSA-N 2 0 393.922 3.825 20 30 GHEDRP C[NH+]1CCC(COc2ccccc2Nc2cc(C#N)cc(C3C[NH2+]C3)c2)CC1 ZINC001160172897 1034888476 /nfs/dbraw/zinc/88/84/76/1034888476.db2.gz YMLGCAKMCXQZIJ-UHFFFAOYSA-N 2 0 376.504 3.709 20 30 GHEDRP C[C@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001160952076 1035103432 /nfs/dbraw/zinc/10/34/32/1035103432.db2.gz QAQIQJBZVHGWEP-XXBNENTESA-N 2 0 392.547 3.707 20 30 GHEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001161575668 1035262266 /nfs/dbraw/zinc/26/22/66/1035262266.db2.gz MIIVPQSBWVFESI-ZRBLBEILSA-N 2 0 383.580 3.821 20 30 GHEDRP CCc1cc(C#N)ccc1C[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001248749667 1036105949 /nfs/dbraw/zinc/10/59/49/1036105949.db2.gz HLKKYOYJXHTWEJ-QFIPXVFZSA-N 2 0 393.531 3.969 20 30 GHEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@@H](C)CCc1ccc(Br)cc1 ZINC001246304588 1037286033 /nfs/dbraw/zinc/28/60/33/1037286033.db2.gz FISYMRWZCGHLSL-YJBOKZPZSA-N 2 0 397.357 3.587 20 30 GHEDRP COC(=O)c1cccc(C[N@H+]([C@@H](C)Cc2cccc(C#N)c2)C2CC[NH2+]CC2)c1 ZINC001246958980 1037774256 /nfs/dbraw/zinc/77/42/56/1037774256.db2.gz QDFOWYZMBQVOGC-SFHVURJKSA-N 2 0 391.515 3.530 20 30 GHEDRP Cc1cc(C#N)ccc1C[NH+]1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001233079302 1038844709 /nfs/dbraw/zinc/84/47/09/1038844709.db2.gz BDESVUYWEZQNAO-UHFFFAOYSA-N 2 0 381.545 3.795 20 30 GHEDRP C=CCC[C@@H](O)C[NH2+]CC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC001252618022 1039050133 /nfs/dbraw/zinc/05/01/33/1039050133.db2.gz CAPKKLHHMABCLO-LJQANCHMSA-N 2 0 381.358 3.578 20 30 GHEDRP N#C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC001254651044 1040420037 /nfs/dbraw/zinc/42/00/37/1040420037.db2.gz ZXOHEZXLXZHWMN-MJGOQNOKSA-N 2 0 376.342 3.943 20 30 GHEDRP CC1(C[NH+]2CCC(C#N)(c3ccc(Br)cc3)CC2)CC[NH2+]CC1 ZINC001235762193 1041250996 /nfs/dbraw/zinc/25/09/96/1041250996.db2.gz WMJPWCNLLBZNJM-UHFFFAOYSA-N 2 0 376.342 3.696 20 30 GHEDRP C[NH+]1CCN(c2cccc(C[NH+]3CCC(Cc4ccc(C#N)cc4)CC3)c2)CC1 ZINC001236890970 1041942192 /nfs/dbraw/zinc/94/21/92/1041942192.db2.gz USYWUPXHTFMRJY-UHFFFAOYSA-N 2 0 388.559 3.765 20 30 GHEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001460406073 1068955018 /nfs/dbraw/zinc/95/50/18/1068955018.db2.gz BGDDICXARHNRRT-FPOVZHCZSA-N 2 0 387.593 3.898 20 30 GHEDRP N#CCCn1cc(C[NH2+]CCCCCCC[NH+]2CCCC2)c(-c2ccncc2)n1 ZINC000278637395 835669944 /nfs/dbraw/zinc/66/99/44/835669944.db2.gz LBVDKNHRECJTTP-UHFFFAOYSA-N 2 0 394.567 3.995 20 30 GHEDRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCC(=O)Nc1sccc1C#N ZINC000189955270 838477916 /nfs/dbraw/zinc/47/79/16/838477916.db2.gz KPJNBOGDQJINRP-IRXDYDNUSA-N 2 0 396.560 3.695 20 30 GHEDRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCC(=O)Nc1sccc1C#N ZINC000189955293 838477932 /nfs/dbraw/zinc/47/79/32/838477932.db2.gz KPJNBOGDQJINRP-IAGOWNOFSA-N 2 0 396.560 3.695 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1OCC ZINC000415030734 839090731 /nfs/dbraw/zinc/09/07/31/839090731.db2.gz GAFAKYHPXCYWOL-HIFRSBDPSA-N 2 0 383.330 3.630 20 30 GHEDRP CN(CC[N@H+](C)Cc1ccc(-c2ccccc2C#N)cc1)C1CC[NH+](C)CC1 ZINC000430990075 843389080 /nfs/dbraw/zinc/38/90/80/843389080.db2.gz BAWVHGFZNUOJIM-UHFFFAOYSA-N 2 0 376.548 3.683 20 30 GHEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000599660289 861491697 /nfs/dbraw/zinc/49/16/97/861491697.db2.gz MBQNEXGJCVOCBB-HXUWFJFHSA-N 2 0 392.547 3.905 20 30 GHEDRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614160689 844795789 /nfs/dbraw/zinc/79/57/89/844795789.db2.gz AFBURFDWQSWMQG-UHFFFAOYSA-N 2 0 398.595 3.548 20 30 GHEDRP C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501069371 846601165 /nfs/dbraw/zinc/60/11/65/846601165.db2.gz OMVLIXKOUZCNCH-UHFFFAOYSA-N 2 0 386.446 3.903 20 30 GHEDRP Cc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(OCC[NH+](C)C)c1 ZINC000179905845 861840742 /nfs/dbraw/zinc/84/07/42/861840742.db2.gz BEODFNSTULRLLV-UHFFFAOYSA-N 2 0 392.547 3.884 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1OCC ZINC000414865626 850045539 /nfs/dbraw/zinc/04/55/39/850045539.db2.gz ZHTSHHZMHUQHBS-GOEBONIOSA-N 2 0 397.357 3.890 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)NCC2(CC)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000514017245 851124104 /nfs/dbraw/zinc/12/41/04/851124104.db2.gz FRMSWTSNSVLSKV-UHFFFAOYSA-N 2 0 398.595 3.628 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1OC ZINC000414909278 853301327 /nfs/dbraw/zinc/30/13/27/853301327.db2.gz RKTBSLINPPSAIC-SFHVURJKSA-N 2 0 383.330 3.502 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CC[NH+](CC)CC)Cc2cccs2)CC1 ZINC000520696944 856044580 /nfs/dbraw/zinc/04/45/80/856044580.db2.gz WFGSDGVWHHRYJY-UHFFFAOYSA-N 2 0 392.613 3.642 20 30 GHEDRP C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC[C@@H]1CCCC[NH+]1C ZINC000173642319 857048852 /nfs/dbraw/zinc/04/88/52/857048852.db2.gz BWMATNDWDCINOW-INIZCTEOSA-N 2 0 388.581 3.633 20 30 GHEDRP Cc1cc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)ccc1C#N ZINC000856558180 881424870 /nfs/dbraw/zinc/42/48/70/881424870.db2.gz CJDSIOVBIOPRAI-HSZRJFAPSA-N 2 0 378.520 3.755 20 30 GHEDRP C#CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2CN2CC[NH+](CC)CC2)cc1 ZINC000765013116 859727996 /nfs/dbraw/zinc/72/79/96/859727996.db2.gz YZKSSOJALXQKOO-NRFANRHFSA-N 2 0 391.559 3.687 20 30 GHEDRP C[C@@H]([NH2+]CC#CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000792874554 881762801 /nfs/dbraw/zinc/76/28/01/881762801.db2.gz FLWITJNMRYFKBY-IYBDPMFKSA-N 2 0 382.420 3.508 20 30 GHEDRP CC(=O)n1ccc2cc(C[C@H](C)[NH2+]C3CC[NH+](CC4CC4)CC3)cc(C#N)c21 ZINC001168362965 864662087 /nfs/dbraw/zinc/66/20/87/864662087.db2.gz NSLSHNNOIOMGEH-INIZCTEOSA-N 2 0 378.520 3.568 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)CC1 ZINC000171721447 865343482 /nfs/dbraw/zinc/34/34/82/865343482.db2.gz WIGSUYXBPYGUFN-UHFFFAOYSA-N 2 0 398.595 3.901 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1OCC ZINC000666950676 882894241 /nfs/dbraw/zinc/89/42/41/882894241.db2.gz AHJKTAALDCVBNM-QGZVFWFLSA-N 2 0 395.341 3.644 20 30 GHEDRP C=CCN(CC=C)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000615319895 877634669 /nfs/dbraw/zinc/63/46/69/877634669.db2.gz OJIABIIOONOAFL-HBMCJLEFSA-N 2 0 383.580 3.843 20 30 GHEDRP CC(C)[C@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCC(C)CC1 ZINC000538397802 879420133 /nfs/dbraw/zinc/42/01/33/879420133.db2.gz BUWJNRPRRHXISY-DEOSSOPVSA-N 2 0 382.596 3.869 20 30 GHEDRP C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000571657758 899941329 /nfs/dbraw/zinc/94/13/29/899941329.db2.gz BYOOQNPFVNNSJU-KDURUIRLSA-N 2 0 391.629 3.563 20 30 GHEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000157391483 900498907 /nfs/dbraw/zinc/49/89/07/900498907.db2.gz BNXWFFACUQWNPE-KRWDZBQOSA-N 2 0 376.545 3.579 20 30 GHEDRP CCCCCCCC[C@H](CC)[N@@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001172505085 905602002 /nfs/dbraw/zinc/60/20/02/905602002.db2.gz JRYZRNUCTGXEMT-SFHVURJKSA-N 2 0 392.588 3.853 20 30 GHEDRP CC[NH+](CC)[C@H]1CC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172979914 906045962 /nfs/dbraw/zinc/04/59/62/906045962.db2.gz UABYMCQKFZTFFX-VJANTYMQSA-N 2 0 378.561 3.521 20 30 GHEDRP CC(C)(C)C[N@@H+](C1CCN(C(=O)c2ccc(C#N)cc2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173426474 906463540 /nfs/dbraw/zinc/46/35/40/906463540.db2.gz AJSXGDXDFWPNSK-MEMLXQNLSA-N 2 0 396.579 3.781 20 30 GHEDRP CCC(CC)[N@@H+](C1CCN(C(=O)c2ccc(C#N)cc2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173428085 906465059 /nfs/dbraw/zinc/46/50/59/906465059.db2.gz XLRDKTWRUMSAFR-AQYVVDRMSA-N 2 0 396.579 3.923 20 30 GHEDRP C[N@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](C1CCC(C)(C#N)CC1)CC2 ZINC001173594971 906548534 /nfs/dbraw/zinc/54/85/34/906548534.db2.gz JDXJTGNDBWWORD-ORFBVSJDSA-N 2 0 382.552 3.609 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000633637691 908410522 /nfs/dbraw/zinc/41/05/22/908410522.db2.gz YWLKWOFDSFATSI-QFIPXVFZSA-N 2 0 398.595 3.628 20 30 GHEDRP C#C[C@H]([NH2+]C1CCC(C)([NH+]2CCOCC2)CC1)c1ccc(Br)cc1 ZINC001182034057 911137848 /nfs/dbraw/zinc/13/78/48/911137848.db2.gz SHRCAORABXWYLJ-GPJFCIFZSA-N 2 0 391.353 3.747 20 30 GHEDRP [NH2+]=C(NCc1ccccc1C[NH+]1CCCCCC1)N[C@H]1CCOc2ccccc21 ZINC000304746601 915668574 /nfs/dbraw/zinc/66/85/74/915668574.db2.gz FYIHNRXJDTZTJX-QFIPXVFZSA-N 2 0 392.547 3.991 20 30 GHEDRP Cc1cc(C)cc(NC(=[NH2+])NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c1 ZINC000304738644 915668923 /nfs/dbraw/zinc/66/89/23/915668923.db2.gz AVCWIBDUWDUMJR-LJQANCHMSA-N 2 0 380.536 3.930 20 30 GHEDRP C#CC[C@@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccccc1 ZINC000775399764 917448113 /nfs/dbraw/zinc/44/81/13/917448113.db2.gz JLDQAJYJCZAGTD-JOCHJYFZSA-N 2 0 393.556 3.528 20 30 GHEDRP C[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccc(OCC#N)cc1 ZINC000375314221 928156690 /nfs/dbraw/zinc/15/66/90/928156690.db2.gz RZZWNXWPFUUYAI-GOSISDBHSA-N 2 0 379.504 3.913 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000468025874 1015162179 /nfs/dbraw/zinc/16/21/79/1015162179.db2.gz KWBPSPVGBLUWSY-KNQAVFIVSA-N 2 0 386.584 3.702 20 30 GHEDRP C[C@@H](Oc1c(C[NH+](C)C)cc(C[NH+](C)C)cc1C[NH+](C)C)c1ccccc1C#N ZINC001227164099 1032302036 /nfs/dbraw/zinc/30/20/36/1032302036.db2.gz JAHUAHBWMQYPRI-GOSISDBHSA-N 3 0 394.563 3.883 20 30 GHEDRP N#Cc1ccc(Cl)c(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001162942655 1025978937 /nfs/dbraw/zinc/97/89/37/1025978937.db2.gz XDNGGMCXWIZWBQ-GOSISDBHSA-N 2 0 395.938 3.520 20 30 GHEDRP C=CCn1cc(C[NH+]2CCC3(CC[N@@H+](Cc4cccc(OC)c4)C3)CC2)cn1 ZINC001139771817 1026605381 /nfs/dbraw/zinc/60/53/81/1026605381.db2.gz QACHAIQIZMXBHD-UHFFFAOYSA-N 2 0 380.536 3.566 20 30 GHEDRP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccc(C#N)cc1F)CC2 ZINC001140137047 1026910755 /nfs/dbraw/zinc/91/07/55/1026910755.db2.gz YDLBWNNQNFONRX-UHFFFAOYSA-N 2 0 378.495 3.969 20 30 GHEDRP N#Cc1c2c(cnc1-n1cc(C3CC[NH2+]CC3)c3cccc(F)c31)C[NH2+]CCC2 ZINC001157355576 1033551714 /nfs/dbraw/zinc/55/17/14/1033551714.db2.gz RHLUGFCTWATFPN-UHFFFAOYSA-N 2 0 389.478 3.539 20 30 GHEDRP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](CCCc1cccc(C#N)c1)CC2 ZINC001208849261 1035056137 /nfs/dbraw/zinc/05/61/37/1035056137.db2.gz CLZNDLFCQKBFKM-JOCHJYFZSA-N 2 0 393.531 3.839 20 30 GHEDRP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](CCc1ccc(C#N)cc1)CC2 ZINC001208922428 1035090284 /nfs/dbraw/zinc/09/02/84/1035090284.db2.gz GROHERMZXINHLO-DEOSSOPVSA-N 2 0 389.543 3.856 20 30 GHEDRP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208945930 1035117355 /nfs/dbraw/zinc/11/73/55/1035117355.db2.gz OEROBBIHDGGOPY-RBZQAINGSA-N 2 0 384.564 3.582 20 30 GHEDRP COC(=O)c1ccc(C(=[NH2+])N[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001246302993 1037285238 /nfs/dbraw/zinc/28/52/38/1037285238.db2.gz DDQGMWLOCGZPSP-FQEVSTJZSA-N 2 0 379.504 3.622 20 30 GHEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@H](C)CCc1ccc(Br)cc1 ZINC001246304585 1037286185 /nfs/dbraw/zinc/28/61/85/1037286185.db2.gz FISYMRWZCGHLSL-QAPCUYQASA-N 2 0 397.357 3.587 20 30 GHEDRP C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H]3CC[NH2+][C@@H](CCCC)C3)CC2)C1 ZINC001246527781 1037461624 /nfs/dbraw/zinc/46/16/24/1037461624.db2.gz WMVBCRLOKRBPCK-VQTJNVASSA-N 2 0 377.573 3.798 20 30 GHEDRP N#Cc1cccc(O[C@@H]2CCC[N@@H+]([C@@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)C2)c1 ZINC001246847906 1037674466 /nfs/dbraw/zinc/67/44/66/1037674466.db2.gz YVYYEMOTHMFNRV-WMTXJRDZSA-N 2 0 375.516 3.765 20 30 GHEDRP C=CCOC(=O)N1CCC(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255397251 1040983807 /nfs/dbraw/zinc/98/38/07/1040983807.db2.gz NVEGUPMMERVGOI-QFIPXVFZSA-N 2 0 385.552 3.665 20 30 GHEDRP C=CC[NH2+]CCN1CCC[N@H+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC001235865444 1041399388 /nfs/dbraw/zinc/39/93/88/1041399388.db2.gz DRISOOXFJVKNQR-UHFFFAOYSA-N 2 0 393.575 3.576 20 30 GHEDRP N#Cc1ccnc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)cc2)c1 ZINC001236013120 1041506329 /nfs/dbraw/zinc/50/63/29/1041506329.db2.gz XMVZNWQNISMUSC-NOZRDPDXSA-N 2 0 380.495 3.593 20 30 GHEDRP N#Cc1ccc2nc(C[N@@H+]3CC[C@@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)cn2c1 ZINC001237612304 1042281570 /nfs/dbraw/zinc/28/15/70/1042281570.db2.gz UYHVNGWDSBDWSR-YADHBBJMSA-N 2 0 385.515 3.550 20 30 GHEDRP C=C1C[C@@H]2CC([N@@H+]3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)C[C@H](C1)C2 ZINC001257890865 1044246283 /nfs/dbraw/zinc/24/62/83/1044246283.db2.gz BTEXPMJCFOBHGL-ARMVQHAZSA-N 2 0 385.596 3.528 20 30 GHEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278761560 834533243 /nfs/dbraw/zinc/53/32/43/834533243.db2.gz XHIICQCYSOBLOY-BGYRXZFFSA-N 2 0 394.567 3.706 20 30 GHEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]CCc1ccc(OCC[NH+]3CCCC3)cc1)CC2 ZINC000581161416 840799932 /nfs/dbraw/zinc/79/99/32/840799932.db2.gz YISGQJJRCKZIHW-XMMPIXPASA-N 2 0 375.516 3.852 20 30 GHEDRP N#Cc1ccc2ncc(C[NH2+][C@@H]3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)n2c1 ZINC000585767392 842279173 /nfs/dbraw/zinc/27/91/73/842279173.db2.gz XKGSBPFZPXMTDP-AKIFATBCSA-N 2 0 385.515 3.596 20 30 GHEDRP C=CCOc1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000512179000 842777551 /nfs/dbraw/zinc/77/75/51/842777551.db2.gz KNFSFVAAVVIGNS-KDURUIRLSA-N 2 0 388.552 3.581 20 30 GHEDRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481636133 861902424 /nfs/dbraw/zinc/90/24/24/861902424.db2.gz ACPKCZIKLYLQMZ-QFIPXVFZSA-N 2 0 396.579 3.542 20 30 GHEDRP C=CCOCc1nn(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)c2c1C[NH2+]C2 ZINC001168045776 861923491 /nfs/dbraw/zinc/92/34/91/861923491.db2.gz KHCRFOWYMAEOQN-QZTJIDSGSA-N 2 0 380.536 3.803 20 30 GHEDRP CC(C)c1ccc([C@H]([NH3+])CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000423231272 849819632 /nfs/dbraw/zinc/81/96/32/849819632.db2.gz AQFVEOURNKIGCD-XMMPIXPASA-N 2 0 376.548 3.936 20 30 GHEDRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000488389732 851453237 /nfs/dbraw/zinc/45/32/37/851453237.db2.gz KRABKFDMJSDJTP-OAQYLSRUSA-N 2 0 398.595 3.992 20 30 GHEDRP C#CCCOc1ccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000733324390 862866609 /nfs/dbraw/zinc/86/66/09/862866609.db2.gz VLPNDLQHPMAYKG-VWLOTQADSA-N 2 0 391.559 3.557 20 30 GHEDRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)C2)ccn1 ZINC000856547566 881359687 /nfs/dbraw/zinc/35/96/87/881359687.db2.gz AUFXMSOFSQQDJJ-HSZRJFAPSA-N 2 0 392.547 3.988 20 30 GHEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390571 859733959 /nfs/dbraw/zinc/73/39/59/859733959.db2.gz ITAWDANADOUCNG-RUZDIDTESA-N 2 0 388.559 3.863 20 30 GHEDRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccccc3C(C)(C)C#N)C2)ccn1 ZINC000856588682 881560786 /nfs/dbraw/zinc/56/07/86/881560786.db2.gz BHJHOVBMWATDNK-QFIPXVFZSA-N 2 0 392.547 3.988 20 30 GHEDRP [NH2+]=C(NCc1ccccc1C[NH+]1CCCCC1)N[C@@H]1CCOc2ccccc21 ZINC000262548309 866646431 /nfs/dbraw/zinc/64/64/31/866646431.db2.gz SOOPPONXJWQQHD-OAQYLSRUSA-N 2 0 378.520 3.601 20 30 GHEDRP COc1cc2c(cc1F)[nH+]ccc2N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000479387270 867684858 /nfs/dbraw/zinc/68/48/58/867684858.db2.gz ZXFXHKJZHQJLRR-UHFFFAOYSA-N 2 0 376.435 3.576 20 30 GHEDRP C[C@@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000540597034 871662450 /nfs/dbraw/zinc/66/24/50/871662450.db2.gz JLYYOOSKWFKFFM-OAQYLSRUSA-N 2 0 376.548 3.807 20 30 GHEDRP CC1(C)C[N@H+](C[C@@H](O)CC2(C#N)CC2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000528560103 874705662 /nfs/dbraw/zinc/70/56/62/874705662.db2.gz HOEOWJINQUYORO-FCHUYYIVSA-N 2 0 381.564 3.664 20 30 GHEDRP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000532540797 885948142 /nfs/dbraw/zinc/94/81/42/885948142.db2.gz HFGCGPQXTWVCRF-NRFANRHFSA-N 2 0 398.595 3.991 20 30 GHEDRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(OCC#N)cc1 ZINC000729685849 888914287 /nfs/dbraw/zinc/91/42/87/888914287.db2.gz KQGNAQHEVZQNNS-LJQANCHMSA-N 2 0 379.504 3.914 20 30 GHEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000818961693 896267413 /nfs/dbraw/zinc/26/74/13/896267413.db2.gz VHJHKIWKTHIEFE-YDIMBITNSA-N 2 0 377.532 3.859 20 30 GHEDRP Cc1ccc([C@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)[NH+]2CCCC2)cc1 ZINC000104181327 904550367 /nfs/dbraw/zinc/55/03/67/904550367.db2.gz DWMQBCDNYNXHGV-FQEVSTJZSA-N 2 0 394.519 3.720 20 30 GHEDRP COC(=O)[C@@H]1CCC[C@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172781194 905822098 /nfs/dbraw/zinc/82/20/98/905822098.db2.gz MESLLVGBBMJCDW-YUMYIRISSA-N 2 0 383.536 3.752 20 30 GHEDRP COc1ccc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)cc1OCCCC#N ZINC000299443852 921332059 /nfs/dbraw/zinc/33/20/59/921332059.db2.gz JVQBDJRRSMRPSP-UHFFFAOYSA-N 2 0 397.519 3.608 20 30 GHEDRP [NH2+]=C(NCc1ccccc1C[NH+]1CCCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000303778361 915123941 /nfs/dbraw/zinc/12/39/41/915123941.db2.gz JPEIBZPMGAFCJM-UHFFFAOYSA-N 2 0 394.519 3.761 20 30 GHEDRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=[NH2+])N[C@H]3CCOc4ccccc43)cc2)C1 ZINC000304475941 915516477 /nfs/dbraw/zinc/51/64/77/915516477.db2.gz HJOKTTBONKKWAJ-AVRDEDQJSA-N 2 0 392.547 3.847 20 30 GHEDRP [NH2+]=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N[C@@H]1CCOc2ccccc21 ZINC000304490708 915524705 /nfs/dbraw/zinc/52/47/05/915524705.db2.gz LRILUFOIYQQQHC-JOCHJYFZSA-N 2 0 392.547 3.991 20 30 GHEDRP [NH2+]=C(NCc1ccccc1C[NH+]1CCCCCC1)N[C@@H]1CCOc2ccccc21 ZINC000304746600 915669054 /nfs/dbraw/zinc/66/90/54/915669054.db2.gz FYIHNRXJDTZTJX-JOCHJYFZSA-N 2 0 392.547 3.991 20 30 GHEDRP CC[NH+]1CCN(c2ccc(CNC(=[NH2+])Nc3ccc(C)c(C)c3)cc2F)CC1 ZINC000304760114 915674433 /nfs/dbraw/zinc/67/44/33/915674433.db2.gz RXHFFSWXYGHCIX-UHFFFAOYSA-N 2 0 383.515 3.511 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC1 ZINC000650417435 916973213 /nfs/dbraw/zinc/97/32/13/916973213.db2.gz DZMPSNRVQMXQOZ-UHFFFAOYSA-N 2 0 388.581 3.646 20 30 GHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](CC)CC2)cc1 ZINC000121391652 918081612 /nfs/dbraw/zinc/08/16/12/918081612.db2.gz SUMOTRANYXVYJB-PKOBYXMFSA-N 2 0 379.976 3.742 20 30 GHEDRP CC(C)[NH+]1CCC([NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000925304097 931737597 /nfs/dbraw/zinc/73/75/97/931737597.db2.gz RCOJVEDXJASLDM-GOSISDBHSA-N 2 0 392.588 3.768 20 30 GHEDRP C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000562096321 934694315 /nfs/dbraw/zinc/69/43/15/934694315.db2.gz QWGDRUSDGYVYDJ-AOMKIAJQSA-N 2 0 378.495 3.787 20 30 GHEDRP C[NH+](C)Cc1cc(C[NH+](C)C)c(O[C@H](CC#N)c2ccccc2)c(C[NH+](C)C)c1 ZINC001227161835 1032300464 /nfs/dbraw/zinc/30/04/64/1032300464.db2.gz XNGWCDFHOBSLKG-HSZRJFAPSA-N 3 0 394.563 3.905 20 30 GHEDRP N#Cc1nc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)ccc1Cl ZINC001155358016 1032517363 /nfs/dbraw/zinc/51/73/63/1032517363.db2.gz MGBSASYIGNGYPO-SFHVURJKSA-N 2 0 395.938 3.520 20 30 GHEDRP N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)nc1 ZINC000562707133 1018557514 /nfs/dbraw/zinc/55/75/14/1018557514.db2.gz IIFDLONWLPGXQI-JOCHJYFZSA-N 2 0 376.504 3.592 20 30 GHEDRP COC[C@@H]1CC2(CN1Cc1nccs1)CC[NH+](Cc1ccccc1C#N)CC2 ZINC001204367680 1032809220 /nfs/dbraw/zinc/80/92/20/1032809220.db2.gz OYJZLZAXDMPMCR-FQEVSTJZSA-N 2 0 396.560 3.518 20 30 GHEDRP Cc1ccc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccco4)CO3)CC2)cc1C#N ZINC001139725001 1026568516 /nfs/dbraw/zinc/56/85/16/1026568516.db2.gz YROOCDWDJUTAJY-NRFANRHFSA-N 2 0 379.504 3.715 20 30 GHEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(-c3ccncc3)cc2)CC1 ZINC001140174944 1026947472 /nfs/dbraw/zinc/94/74/72/1026947472.db2.gz UFCHQQLIHKUXIA-UHFFFAOYSA-N 2 0 376.548 3.540 20 30 GHEDRP N#Cc1cc(Nc2cccc(C[NH+]3CCCCC3)c2)ccc1N1CC[NH2+]CC1 ZINC001159742737 1034731070 /nfs/dbraw/zinc/73/10/70/1034731070.db2.gz LOSZGDDTXKRJJG-UHFFFAOYSA-N 2 0 375.520 3.697 20 30 GHEDRP C#Cc1cccc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4cccs4)CO3)CC2)c1 ZINC001231654806 1034810831 /nfs/dbraw/zinc/81/08/31/1034810831.db2.gz FEKJFPSAHZXYQY-OAQYLSRUSA-N 2 0 380.557 3.985 20 30 GHEDRP C=CCOC(=O)N1CC2(C1)CC[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208934269 1035099446 /nfs/dbraw/zinc/09/94/46/1035099446.db2.gz XZACGACVJKUHQM-JOCHJYFZSA-N 2 0 397.563 3.619 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+][C@H]1CC[C@H]([NH3+])C1 ZINC001245990472 1037112781 /nfs/dbraw/zinc/11/27/81/1037112781.db2.gz CYGDFACNOFAUBS-FDFHNCONSA-N 2 0 386.621 3.771 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC001246003844 1037123740 /nfs/dbraw/zinc/12/37/40/1037123740.db2.gz VIJPUEFOZACRKT-FKBYEOEOSA-N 2 0 386.621 3.771 20 30 GHEDRP [NH2+]=C(N[C@@H]1CCC[NH2+]C1)c1cc2ccc(OC(=O)c3cccs3)cc2s1 ZINC001246294014 1037283155 /nfs/dbraw/zinc/28/31/55/1037283155.db2.gz IMMULXQKRJGSTJ-CYBMUJFWSA-N 2 0 385.514 3.639 20 30 GHEDRP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001246302995 1037284518 /nfs/dbraw/zinc/28/45/18/1037284518.db2.gz DDQGMWLOCGZPSP-HXUWFJFHSA-N 2 0 379.504 3.622 20 30 GHEDRP O=C(CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1Cc2ccccc2C#Cc2ccccc21 ZINC001246333760 1037300305 /nfs/dbraw/zinc/30/03/05/1037300305.db2.gz NSCLEULYJHSBIU-BKFWDETESA-N 2 0 399.538 3.586 20 30 GHEDRP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3CC[NH2+][C@@H](C(C)(C)C)C3)C2)CC1 ZINC001246523299 1037455225 /nfs/dbraw/zinc/45/52/25/1037455225.db2.gz AIMSSGXBOJWSCB-RBUKOAKNSA-N 2 0 377.573 3.654 20 30 GHEDRP C=CCN1CC[C@@]2(C[N@H+]([C@@H]3CC[NH2+][C@H](CCCC)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246704502 1037558214 /nfs/dbraw/zinc/55/82/14/1037558214.db2.gz WAASHXGGNDRSNS-WBJOIXBTSA-N 2 0 395.591 3.801 20 30 GHEDRP CCCCCCCCOc1ccc(-c2noc([C@H]3C[NH2+]CC34C[NH2+]C4)n2)cc1 ZINC001247830988 1038412635 /nfs/dbraw/zinc/41/26/35/1038412635.db2.gz QDESMAVDRCLTFV-LJQANCHMSA-N 2 0 384.524 3.752 20 30 GHEDRP C=CCC[C@H](O)C[NH2+]CC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC001252620321 1039050220 /nfs/dbraw/zinc/05/02/20/1039050220.db2.gz UGTUJAQUMMNVTB-IBGZPJMESA-N 2 0 381.358 3.578 20 30 GHEDRP C=CCCCCCC[C@H](O)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001253237874 1039494558 /nfs/dbraw/zinc/49/45/58/1039494558.db2.gz NZPFMOTWZGDSQH-VJBWXMMDSA-N 2 0 378.601 3.554 20 30 GHEDRP N#Cc1cccc(C2CC[NH+](CC3(O)CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC001254038594 1039969124 /nfs/dbraw/zinc/96/91/24/1039969124.db2.gz JLIJQBCVTLTKND-UHFFFAOYSA-N 2 0 389.543 3.765 20 30 GHEDRP C(#Cc1ccccc1)c1ccc(C[NH+]2CCC(OC3CC[NH2+]CC3)CC2)s1 ZINC001235290442 1040760771 /nfs/dbraw/zinc/76/07/71/1040760771.db2.gz GCBWWYCUMLAZDK-UHFFFAOYSA-N 2 0 380.557 3.881 20 30 GHEDRP CCOC(=O)[C@@H]1CCC[C@@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255351277 1040956519 /nfs/dbraw/zinc/95/65/19/1040956519.db2.gz WYPHSZHBCIIQIW-GXRSIYKFSA-N 2 0 383.536 3.752 20 30 GHEDRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001255959888 1041438619 /nfs/dbraw/zinc/43/86/19/1041438619.db2.gz BGWPAMATYGWBJV-ZJSXRUAMSA-N 2 0 398.595 3.597 20 30 GHEDRP N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@@H+](CC2(F)CC[NH2+]CC2)C1 ZINC001236157484 1041581733 /nfs/dbraw/zinc/58/17/33/1041581733.db2.gz IIEZGLGALYATNH-JOCHJYFZSA-N 2 0 377.507 3.910 20 30 GHEDRP COC(=O)c1cccc(C[N@H+](CCCc2ccc(C#N)cc2)C2CC[NH2+]CC2)c1 ZINC001236465983 1041728673 /nfs/dbraw/zinc/72/86/73/1041728673.db2.gz WDXRUSXDYNAGTP-UHFFFAOYSA-N 2 0 391.515 3.532 20 30 GHEDRP CC(=O)n1ccc2cc(C[C@@H](C)[NH2+]C3CC[NH+](C(C)(C)C)CC3)cc(C#N)c21 ZINC001256564166 1043538189 /nfs/dbraw/zinc/53/81/89/1043538189.db2.gz TYPNENTVOJOLGC-MRXNPFEDSA-N 2 0 380.536 3.957 20 30 GHEDRP C#CCN(C)CCC[NH2+][C@@H](C)COc1ccc2cc(Br)ccc2c1 ZINC001308793099 1050096409 /nfs/dbraw/zinc/09/64/09/1050096409.db2.gz OAWZGFRLJHVWSJ-INIZCTEOSA-N 2 0 389.337 3.914 20 30 GHEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278761568 834533086 /nfs/dbraw/zinc/53/30/86/834533086.db2.gz XHIICQCYSOBLOY-WOJBJXKFSA-N 2 0 394.567 3.706 20 30 GHEDRP CC(=O)Nc1cccc([C@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000181434198 838362691 /nfs/dbraw/zinc/36/26/91/838362691.db2.gz HWGMECNROCVYBE-KRWDZBQOSA-N 2 0 376.504 3.832 20 30 GHEDRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C(=O)NC1(C#N)CCCCC1 ZINC000604044419 861703702 /nfs/dbraw/zinc/70/37/02/861703702.db2.gz MSTYDIRKHLFWKB-VQTJNVASSA-N 2 0 396.579 3.739 20 30 GHEDRP C=CCOc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1Cl ZINC000657593908 848285404 /nfs/dbraw/zinc/28/54/04/848285404.db2.gz CIYATYVCABOCKA-FQEVSTJZSA-N 2 0 386.923 3.761 20 30 GHEDRP C[C@@H]1[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCN1Cc1ccccc1 ZINC000489862175 852613974 /nfs/dbraw/zinc/61/39/74/852613974.db2.gz WWHQVFJOYIBFQK-CJFMBICVSA-N 2 0 388.559 3.775 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1OC ZINC000414972724 853149182 /nfs/dbraw/zinc/14/91/82/853149182.db2.gz MVRWKKLQEXHTTJ-OAHLLOKOSA-N 2 0 383.330 3.644 20 30 GHEDRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000328886448 854597251 /nfs/dbraw/zinc/59/72/51/854597251.db2.gz OWPNAVCTGNRHDE-BZIXAJQCSA-N 2 0 392.588 3.671 20 30 GHEDRP N#Cc1csc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000590192631 855315918 /nfs/dbraw/zinc/31/59/18/855315918.db2.gz HYDOTXFYMVCIPL-HXUWFJFHSA-N 2 0 381.545 3.638 20 30 GHEDRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCc4ccc(C#N)cc43)cc2)C[C@H](C)O1 ZINC000573292281 856015058 /nfs/dbraw/zinc/01/50/58/856015058.db2.gz XHGGZVQSAJIVRM-NXMSCROESA-N 2 0 375.516 3.945 20 30 GHEDRP N#C[C@@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000442705453 858064429 /nfs/dbraw/zinc/06/44/29/858064429.db2.gz BIDXVZDYTYWKEU-IEBWSBKVSA-N 2 0 394.485 3.889 20 30 GHEDRP CC(C)(C#N)c1ccc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000594497441 858192475 /nfs/dbraw/zinc/19/24/75/858192475.db2.gz AVJHVUTXCGVUII-UHFFFAOYSA-N 2 0 377.532 3.734 20 30 GHEDRP N#CC1(c2ccccc2)CCC([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000595051984 858380737 /nfs/dbraw/zinc/38/07/37/858380737.db2.gz ZRQNPEDSXSRTRG-UHFFFAOYSA-N 2 0 381.564 3.871 20 30 GHEDRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)C2)ccn1 ZINC000856547567 881360445 /nfs/dbraw/zinc/36/04/45/881360445.db2.gz AUFXMSOFSQQDJJ-QHCPKHFHSA-N 2 0 392.547 3.988 20 30 GHEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000262368939 863301157 /nfs/dbraw/zinc/30/11/57/863301157.db2.gz IESRPCQCHNPHMC-XYEHWOGUSA-N 2 0 398.595 3.581 20 30 GHEDRP [NH2+]=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)Nc1cccc2c1CCCC2 ZINC000304667795 866505025 /nfs/dbraw/zinc/50/50/25/866505025.db2.gz LGWWRYCCYZWFPP-FQEVSTJZSA-N 2 0 376.548 3.857 20 30 GHEDRP Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000304723160 876489424 /nfs/dbraw/zinc/48/94/24/876489424.db2.gz PEYAMRLEOSXGPO-UHFFFAOYSA-N 2 0 393.579 3.579 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)CC1 ZINC000537672039 883092381 /nfs/dbraw/zinc/09/23/81/883092381.db2.gz SFUQWSSLHYVSGD-UHFFFAOYSA-N 2 0 384.568 3.733 20 30 GHEDRP C=C(C[NH+]1CCCC1)C(=O)Nc1cccc2c1C[N@H+](C)C[C@H]2c1ccccc1 ZINC001183076220 912235533 /nfs/dbraw/zinc/23/55/33/912235533.db2.gz SUXUXJGMMDNLOM-NRFANRHFSA-N 2 0 375.516 3.854 20 30 GHEDRP N#Cc1cccc(OCCC[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001170206189 881207574 /nfs/dbraw/zinc/20/75/74/881207574.db2.gz SFFJKWONUIFVJW-XMMPIXPASA-N 2 0 375.516 3.925 20 30 GHEDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000103143191 884783057 /nfs/dbraw/zinc/78/30/57/884783057.db2.gz AFFCUJNNKFYIOD-UHFFFAOYSA-N 2 0 390.531 3.731 20 30 GHEDRP COc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)ccc1OCc1cccc(C#N)c1 ZINC000532920631 889332140 /nfs/dbraw/zinc/33/21/40/889332140.db2.gz CBJDZMRZKSZAMR-UHFFFAOYSA-N 2 0 393.531 3.919 20 30 GHEDRP CC(C)(C)OC(=O)N1CC[NH+](C2CCC([NH2+][C@H]3CCC[C@@H](C#N)C3)CC2)CC1 ZINC000812744908 890928020 /nfs/dbraw/zinc/92/80/20/890928020.db2.gz MTIKNCJMKKTSPE-SOAISFHBSA-N 2 0 390.572 3.522 20 30 GHEDRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000131131447 897334565 /nfs/dbraw/zinc/33/45/65/897334565.db2.gz DIBFLXVRRVKANU-UHFFFAOYSA-N 2 0 388.519 3.666 20 30 GHEDRP C[N@H+](Cc1ccccc1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)C1CCCCC1 ZINC000884176918 899201488 /nfs/dbraw/zinc/20/14/88/899201488.db2.gz VCKIHNDQQYQIOZ-KPRXVCGWSA-N 2 0 380.536 3.529 20 30 GHEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)c1 ZINC000104181323 904550643 /nfs/dbraw/zinc/55/06/43/904550643.db2.gz NFNDOXALWLWDSW-FQEVSTJZSA-N 2 0 382.508 3.576 20 30 GHEDRP CC(C)(C)C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172973923 906038781 /nfs/dbraw/zinc/03/87/81/906038781.db2.gz JFPZRQOTXKDULJ-VJANTYMQSA-N 2 0 392.588 3.896 20 30 GHEDRP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172979915 906045178 /nfs/dbraw/zinc/04/51/78/906045178.db2.gz UABYMCQKFZTFFX-YRXWBPOGSA-N 2 0 378.561 3.521 20 30 GHEDRP C[N@@H+](CCC(=O)Nc1ccccc1C#N)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179396599 906491833 /nfs/dbraw/zinc/49/18/33/906491833.db2.gz SIRLXLQEXLWMPK-UHFFFAOYSA-N 2 0 391.519 3.520 20 30 GHEDRP CCc1ccc(NC(=[NH2+])NCCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000303899419 915304426 /nfs/dbraw/zinc/30/44/26/915304426.db2.gz RQOQCRIBPXSTEG-UHFFFAOYSA-N 2 0 379.552 3.578 20 30 GHEDRP N#Cc1ccc(-c2ccn(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)n2)cc1 ZINC000752800203 929028195 /nfs/dbraw/zinc/02/81/95/929028195.db2.gz RCKKMZADEVGINQ-UHFFFAOYSA-N 2 0 377.536 3.967 20 30 GHEDRP C[NH+](C)Cc1cc(C[NH+](C)C)c(O[C@@H](C#N)c2ccccc2F)c(C[NH+](C)C)c1 ZINC001227163255 1032302289 /nfs/dbraw/zinc/30/22/89/1032302289.db2.gz CJNJLRDLKCFTOV-QFIPXVFZSA-N 3 0 398.526 3.654 20 30 GHEDRP C=C[C@@H](C#CC(C)(C)C)Oc1c(C[NH+](C)C)cc(C[NH+](C)C)cc1C[NH+](C)C ZINC001227165190 1032303242 /nfs/dbraw/zinc/30/32/42/1032303242.db2.gz QBCDBOJJEXICKD-QFIPXVFZSA-N 3 0 385.596 3.854 20 30 GHEDRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC[C@H](Oc3ccccc3C#N)C2)cc1 ZINC001204270333 1032712652 /nfs/dbraw/zinc/71/26/52/1032712652.db2.gz SRCNNBBSXOGNOS-QHCPKHFHSA-N 2 0 393.531 3.932 20 30 GHEDRP C=C(CC[NH+](C)C)C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001141189455 1024053531 /nfs/dbraw/zinc/05/35/31/1024053531.db2.gz GPMYVTCNEWESPY-JOCHJYFZSA-N 2 0 383.580 3.644 20 30 GHEDRP N#Cc1ccc(Cl)c(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001162942656 1025979046 /nfs/dbraw/zinc/97/90/46/1025979046.db2.gz XDNGGMCXWIZWBQ-SFHVURJKSA-N 2 0 395.938 3.520 20 30 GHEDRP N#CCNc1c[nH+]cc(-c2ccc(C(F)(F)F)cc2)c1N1CCC([NH3+])CC1 ZINC001163187550 1026082265 /nfs/dbraw/zinc/08/22/65/1026082265.db2.gz LMDKXPOQSCQJGP-UHFFFAOYSA-N 2 0 375.398 3.630 20 30 GHEDRP Cc1ccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)cc1C#N ZINC001139723863 1026567354 /nfs/dbraw/zinc/56/73/54/1026567354.db2.gz IBYVKOXMQVVVFD-UHFFFAOYSA-N 2 0 375.516 3.734 20 30 GHEDRP C=CCOC(=O)N1CCC2(C[NH+](CC3CC[NH+](Cc4ccccc4)CC3)C2)CC1 ZINC001207287628 1034238547 /nfs/dbraw/zinc/23/85/47/1034238547.db2.gz VBEDTJHTRIDHGO-UHFFFAOYSA-N 2 0 397.563 3.619 20 30 GHEDRP C=CCN1C(=O)CCC12CC[NH+](C[C@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208933688 1035099342 /nfs/dbraw/zinc/09/93/42/1035099342.db2.gz FMGDJLDOCWTEPW-JOCHJYFZSA-N 2 0 381.564 3.542 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]C1CC[NH2+]CC1 ZINC001245973062 1037097402 /nfs/dbraw/zinc/09/74/02/1037097402.db2.gz GJCGHRXGXCQOGJ-QFIPXVFZSA-N 2 0 386.621 3.643 20 30 GHEDRP COc1ccc2c(c1)C1(C[C@H]2[NH2+][C@@H](C)Cc2ccc(C#N)cc2)CC[NH2+]CC1 ZINC001246131840 1037207882 /nfs/dbraw/zinc/20/78/82/1037207882.db2.gz YNJBXANGOIMRDK-GAJHUEQPSA-N 2 0 375.516 3.854 20 30 GHEDRP O=C(CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2)N1Cc2ccccc2C#Cc2ccccc21 ZINC001246333762 1037299304 /nfs/dbraw/zinc/29/93/04/1037299304.db2.gz NSCLEULYJHSBIU-UBRQYEGLSA-N 2 0 399.538 3.586 20 30 GHEDRP COc1ccccc1CC1(C[NH2+][C@H](C)Cc2ccc(C#N)cc2)CC[NH2+]CC1 ZINC001246420260 1037377258 /nfs/dbraw/zinc/37/72/58/1037377258.db2.gz KIHZMYYHGRWERR-LJQANCHMSA-N 2 0 377.532 3.700 20 30 GHEDRP N#CC1(c2ccccc2)CC[NH+](CC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001254030401 1039964468 /nfs/dbraw/zinc/96/44/68/1039964468.db2.gz UJIIENJGBGSFDX-UHFFFAOYSA-N 2 0 389.543 3.571 20 30 GHEDRP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255382581 1040972969 /nfs/dbraw/zinc/97/29/69/1040972969.db2.gz DHLMFBHSWRABGZ-PKTZIBPZSA-N 2 0 391.559 3.536 20 30 GHEDRP C=CCN1CC[C@@]2(C[N@H+](C3CC[NH+](C(C)(C)C)CC3)C[C@@H]2c2ccccc2)C1=O ZINC001256574535 1043547991 /nfs/dbraw/zinc/54/79/91/1043547991.db2.gz XQSYTMQBCPUCGL-RDGATRHJSA-N 2 0 395.591 3.753 20 30 GHEDRP C/C(NC1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001257582474 1044066486 /nfs/dbraw/zinc/06/64/86/1044066486.db2.gz ATUWWIWSMNMJPI-NYTJIUQPSA-N 2 0 388.556 3.830 20 30 GHEDRP CCCCCCCCCCNC(=S)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001200216146 1065611886 /nfs/dbraw/zinc/61/18/86/1065611886.db2.gz DHKGRNYNHSJDMY-UHFFFAOYSA-N 2 0 396.689 3.961 20 30 GHEDRP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391901 835669085 /nfs/dbraw/zinc/66/90/85/835669085.db2.gz QYNNAEPFKFVZSQ-SFHVURJKSA-N 2 0 391.519 3.519 20 30 GHEDRP C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179392833 835669694 /nfs/dbraw/zinc/66/96/94/835669694.db2.gz WQADRRBHBJSKLA-UHFFFAOYSA-N 2 0 391.519 3.520 20 30 GHEDRP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535681528 844300557 /nfs/dbraw/zinc/30/05/57/844300557.db2.gz PSHUDRBFGNRXLP-OAQYLSRUSA-N 2 0 381.564 3.564 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](CC)CC)CC1 ZINC000431977484 840309157 /nfs/dbraw/zinc/30/91/57/840309157.db2.gz NAMQHTPTSDKXJJ-QFIPXVFZSA-N 2 0 386.584 3.582 20 30 GHEDRP COc1cc(C#N)ccc1OCCN(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000581551809 841652296 /nfs/dbraw/zinc/65/22/96/841652296.db2.gz ZWZWHZYQPXWXBV-IBGZPJMESA-N 2 0 399.560 3.770 20 30 GHEDRP N#Cc1ccc2ncc(C[NH2+][C@@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)n2c1 ZINC000585767401 842279411 /nfs/dbraw/zinc/27/94/11/842279411.db2.gz XKGSBPFZPXMTDP-MDNUFGMLSA-N 2 0 385.515 3.596 20 30 GHEDRP COc1c(C)cnc(CN2CCC([N@H+](C)Cc3ccc(C#N)c(C)c3)CC2)c1C ZINC000581851941 842301481 /nfs/dbraw/zinc/30/14/81/842301481.db2.gz KVONKWGOMRGLDD-UHFFFAOYSA-N 2 0 392.547 3.984 20 30 GHEDRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000433310334 844007137 /nfs/dbraw/zinc/00/71/37/844007137.db2.gz BOSQLUAPFDJMCR-UHFFFAOYSA-N 2 0 388.519 3.600 20 30 GHEDRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C(=O)Nc1cccc(C#N)c1 ZINC000515756780 851438610 /nfs/dbraw/zinc/43/86/10/851438610.db2.gz CQOZYCCATPAILC-OALUTQOASA-N 2 0 390.531 3.907 20 30 GHEDRP C=CC[NH+]1CCC(Nc2cc(C(C)C)nc(NC3CC[NH+](CC=C)CC3)n2)CC1 ZINC000682916522 858464600 /nfs/dbraw/zinc/46/46/00/858464600.db2.gz IHESCOPKBZTMJE-UHFFFAOYSA-N 2 0 398.599 3.725 20 30 GHEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000611393310 859734935 /nfs/dbraw/zinc/73/49/35/859734935.db2.gz BRUBPSXSUJHEKI-XMMPIXPASA-N 2 0 375.516 3.682 20 30 GHEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898518694 864078461 /nfs/dbraw/zinc/07/84/61/864078461.db2.gz JMBIPUZHKHZWGS-MALNDZBISA-N 2 0 381.564 3.976 20 30 GHEDRP C[NH+]=C(NCc1ccc(F)cc1F)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000262470197 864822090 /nfs/dbraw/zinc/82/20/90/864822090.db2.gz WTEFMCQXYOGTQQ-KXBFYZLASA-N 2 0 392.519 3.774 20 30 GHEDRP C=C(C)C[NH+]1CCC(Nc2ncc(C)c(NC3CC[NH+](CC(=C)C)CC3)n2)CC1 ZINC000301538515 865411129 /nfs/dbraw/zinc/41/11/29/865411129.db2.gz BFVYQMYNHAEAAW-UHFFFAOYSA-N 2 0 398.599 3.690 20 30 GHEDRP [NH2+]=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000262859588 882263296 /nfs/dbraw/zinc/26/32/96/882263296.db2.gz YVHZSCPLJMWMKB-XYWHTSSQSA-N 2 0 380.511 3.641 20 30 GHEDRP C#CCCOc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000769528696 874135351 /nfs/dbraw/zinc/13/53/51/874135351.db2.gz XTCOWRKSJDVZRX-UHFFFAOYSA-N 3 0 397.607 3.717 20 30 GHEDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(C#N)c(F)c3)cc2F)CC1 ZINC000776738610 879787203 /nfs/dbraw/zinc/78/72/03/879787203.db2.gz FTRNNDCHIVSSNA-INIZCTEOSA-N 2 0 384.474 3.829 20 30 GHEDRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000610271237 883318336 /nfs/dbraw/zinc/31/83/36/883318336.db2.gz SBAHYHVYCZBNIQ-UHFFFAOYSA-N 2 0 388.437 3.619 20 30 GHEDRP Cc1nc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)c(C#N)c(C)c1C ZINC001170524635 885475280 /nfs/dbraw/zinc/47/52/80/885475280.db2.gz FBKJUWNXFNCDDU-UHFFFAOYSA-N 2 0 387.531 3.788 20 30 GHEDRP COc1ccc2c(c1)C[C@H]([N@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168256614 886825903 /nfs/dbraw/zinc/82/59/03/886825903.db2.gz FGSUMXJJLAISAN-DNVJHFABSA-N 2 0 375.516 3.806 20 30 GHEDRP N#Cc1ccc([C@H](O)C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000762927402 887115984 /nfs/dbraw/zinc/11/59/84/887115984.db2.gz SDDLCHCVLJEXHM-HSZRJFAPSA-N 2 0 375.516 3.580 20 30 GHEDRP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000533409149 890480215 /nfs/dbraw/zinc/48/02/15/890480215.db2.gz ORQOVSYPYUXSFL-SFHVURJKSA-N 2 0 377.598 3.703 20 30 GHEDRP CC(=O)[C@@](C#N)(CCN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)c1ccccc1 ZINC000878018141 893950847 /nfs/dbraw/zinc/95/08/47/893950847.db2.gz SBLSSLDJCYDPQC-VWNXMTODSA-N 2 0 381.564 3.871 20 30 GHEDRP C=CCc1cc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc(OC)c1OC ZINC000817908581 895958140 /nfs/dbraw/zinc/95/81/40/895958140.db2.gz GTVFZNKPUDWSEY-GBXCKJPGSA-N 2 0 394.515 3.778 20 30 GHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000133174776 903352513 /nfs/dbraw/zinc/35/25/13/903352513.db2.gz YYDMPPFRJIZZGN-ZWKOTPCHSA-N 2 0 378.944 3.969 20 30 GHEDRP CN(C)/C=[NH+]/c1ccc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1C#N ZINC001171277792 903557290 /nfs/dbraw/zinc/55/72/90/903557290.db2.gz QLXWJCHPDDNWPW-NLRVBDNBSA-N 2 0 386.503 3.750 20 30 GHEDRP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001172303391 905457016 /nfs/dbraw/zinc/45/70/16/905457016.db2.gz CNPKCGWUUCMQDE-DENIHFKCSA-N 2 0 393.531 3.838 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000176501714 905856432 /nfs/dbraw/zinc/85/64/32/905856432.db2.gz QYFDFEXJOHPCSU-JOCHJYFZSA-N 2 0 398.595 3.581 20 30 GHEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NCc2cccc(C[N@H+](C)CC)c2)c1 ZINC000303864559 915222814 /nfs/dbraw/zinc/22/28/14/915222814.db2.gz BAOFHOHNZSRDND-UHFFFAOYSA-N 2 0 384.524 3.863 20 30 GHEDRP C[C@H](NC(=[NH2+])NCC1([NH+]2CCCC2)CCOCC1)c1ccc(Cl)cc1Cl ZINC000304757979 915674058 /nfs/dbraw/zinc/67/40/58/915674058.db2.gz PMDLATGJTPAWON-AWEZNQCLSA-N 2 0 399.366 3.604 20 30 GHEDRP COc1cc(CN2CC[C@H](C[NH+](C)C)C2)ccc1OCc1cccc(C#N)c1 ZINC000116879672 919521721 /nfs/dbraw/zinc/52/17/21/919521721.db2.gz RIGWGALGFVPTGB-OAQYLSRUSA-N 2 0 379.504 3.529 20 30 GHEDRP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000924695046 1017003832 /nfs/dbraw/zinc/00/38/32/1017003832.db2.gz IDNWNKLOEDZGPS-QYZOEREBSA-N 2 0 390.572 3.522 20 30 GHEDRP C#CCOc1ccc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccco4)CO3)CC2)cc1 ZINC001138559351 1025021205 /nfs/dbraw/zinc/02/12/05/1025021205.db2.gz KUPMZUBNYFQOIP-OAQYLSRUSA-N 2 0 394.515 3.547 20 30 GHEDRP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)cc1F)CC2 ZINC001140138605 1026912903 /nfs/dbraw/zinc/91/29/03/1026912903.db2.gz MWSCNXBDVCLYFB-JOCHJYFZSA-N 2 0 393.506 3.953 20 30 GHEDRP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)cc1F)CC2 ZINC001140138606 1026913066 /nfs/dbraw/zinc/91/30/66/1026913066.db2.gz MWSCNXBDVCLYFB-QFIPXVFZSA-N 2 0 393.506 3.953 20 30 GHEDRP N#Cc1ccnc(-c2ccc(C[N@@H+]3C[C@H](c4ccccc4)C4(C[NH2+]C4)C3)cc2)c1 ZINC001222602577 1030228295 /nfs/dbraw/zinc/22/82/95/1030228295.db2.gz UGUPVPCSLDHTOR-HSZRJFAPSA-N 2 0 380.495 3.809 20 30 GHEDRP N#Cc1ccc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c(Br)c1 ZINC001206749827 1033968365 /nfs/dbraw/zinc/96/83/65/1033968365.db2.gz OYPKSQLSCULREI-UHFFFAOYSA-N 2 0 384.321 3.813 20 30 GHEDRP COc1cccc(C[NH+]2CCC3(CC[NH+](Cc4cc(C#N)n(C)c4)CC3)CC2)c1 ZINC001207103891 1034095392 /nfs/dbraw/zinc/09/53/92/1034095392.db2.gz AYFKSVSWDAHDAC-UHFFFAOYSA-N 2 0 392.547 3.784 20 30 GHEDRP CC[NH+](CC)Cc1ccc(F)c(Nc2ccc(N3CC[NH2+]CC3)c(C#N)c2)c1 ZINC001159749147 1034732447 /nfs/dbraw/zinc/73/24/47/1034732447.db2.gz YJQHUOOHPARIKQ-UHFFFAOYSA-N 2 0 381.499 3.692 20 30 GHEDRP C=CCN1CC[C@@]2(C[N@H+]([C@H]3CC[NH2+][C@@H](C(C)(C)C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246705951 1037557731 /nfs/dbraw/zinc/55/77/31/1037557731.db2.gz ZKNCRDRTAWUGDV-OUMCCJGNSA-N 2 0 395.591 3.657 20 30 GHEDRP C=CCN1CC[C@@]2(C[N@H+]([C@@H]3CC[NH2+][C@H](C(C)(C)C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246705949 1037559225 /nfs/dbraw/zinc/55/92/25/1037559225.db2.gz ZKNCRDRTAWUGDV-APDHKMKFSA-N 2 0 395.591 3.657 20 30 GHEDRP N#CCc1ccccc1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCC2CC2)C1 ZINC001235514993 1040970252 /nfs/dbraw/zinc/97/02/52/1040970252.db2.gz STGGPZNMLCWUCN-RPBOFIJWSA-N 2 0 393.575 3.713 20 30 GHEDRP N#CCc1ccccc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001235519198 1040973595 /nfs/dbraw/zinc/97/35/95/1040973595.db2.gz RTFHSNBFXHUDIN-UHFFFAOYSA-N 2 0 375.516 3.620 20 30 GHEDRP N#Cc1cc(C2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1N1CC[NH2+]CC1 ZINC001236475692 1041732277 /nfs/dbraw/zinc/73/22/77/1041732277.db2.gz TVKGVNXWFMJGIS-RPWUZVMVSA-N 2 0 384.527 3.788 20 30 GHEDRP COc1ccc(C[N@H+](Cc2ccc(C#N)c(OC)c2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236554426 1041760766 /nfs/dbraw/zinc/76/07/66/1041760766.db2.gz ZSEPRQVIWMDZBH-MEMLXQNLSA-N 2 0 379.504 3.848 20 30 GHEDRP C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc(C(=O)N3CC[NH2+]CC3)cc2)cc1 ZINC001240135582 1042895183 /nfs/dbraw/zinc/89/51/83/1042895183.db2.gz MHEFGGWOILBAOP-QHCPKHFHSA-N 2 0 375.516 3.722 20 30 GHEDRP COC(=O)CC1CCC([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256980378 1043782800 /nfs/dbraw/zinc/78/28/00/1043782800.db2.gz XMYKFIULPOBIBB-OGWRICIPSA-N 2 0 383.536 3.752 20 30 GHEDRP C=CCOC(=O)N1CCC2(CCC[N@@H+](C3CC[NH+](CC(C)C)CC3)C2)CC1 ZINC001258011671 1044337291 /nfs/dbraw/zinc/33/72/91/1044337291.db2.gz NSDYCOUDPYZUMS-UHFFFAOYSA-N 2 0 377.573 3.607 20 30 GHEDRP N#Cc1c(N)sc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccc[nH]4)CC[C@@H]3C2)c1Cl ZINC001279370285 1047783418 /nfs/dbraw/zinc/78/34/18/1047783418.db2.gz MZAOZRPEGPVFTF-OKILXGFUSA-N 2 0 389.956 3.527 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C(C)C)C2)CC1 ZINC001311892718 1052461832 /nfs/dbraw/zinc/46/18/32/1052461832.db2.gz XNJHJFJQDPGTEO-QHCPKHFHSA-N 2 0 398.595 3.579 20 30 GHEDRP C[NH+]=C(NCc1ccc(C)s1)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000262467877 834924753 /nfs/dbraw/zinc/92/47/53/834924753.db2.gz YNZCOCOJYCGZNY-MAUKXSAKSA-N 2 0 376.595 3.866 20 30 GHEDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278685341 835790408 /nfs/dbraw/zinc/79/04/08/835790408.db2.gz PHWFSQCBRATGCG-LJQANCHMSA-N 2 0 380.540 3.603 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1OC ZINC000415028826 839082862 /nfs/dbraw/zinc/08/28/62/839082862.db2.gz ZLQUJIQGOMRMCE-SHTZXODSSA-N 2 0 397.357 3.877 20 30 GHEDRP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503442634 847709690 /nfs/dbraw/zinc/70/96/90/847709690.db2.gz SMLVRBGBENOQRZ-RBBKRZOGSA-N 2 0 395.547 3.567 20 30 GHEDRP N#Cc1ccc(C[NH+]2CCC(N[C@@H](C[NH3+])c3ccc4ccccc4c3)CC2)cc1 ZINC000423388353 849896582 /nfs/dbraw/zinc/89/65/82/849896582.db2.gz IOTBIEHGWXIHBI-VWLOTQADSA-N 2 0 384.527 3.965 20 30 GHEDRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C(=O)Nc1cccc(C#N)c1 ZINC000515756781 851438359 /nfs/dbraw/zinc/43/83/59/851438359.db2.gz CQOZYCCATPAILC-RBUKOAKNSA-N 2 0 390.531 3.907 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000518001984 852721642 /nfs/dbraw/zinc/72/16/42/852721642.db2.gz UFNWRZIFVASEBX-UHFFFAOYSA-N 2 0 398.595 3.902 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)cc1OC ZINC000414972722 853148966 /nfs/dbraw/zinc/14/89/66/853148966.db2.gz MVRWKKLQEXHTTJ-HNNXBMFYSA-N 2 0 383.330 3.644 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CC)[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000473955931 854424759 /nfs/dbraw/zinc/42/47/59/854424759.db2.gz KPTZGFQLVWVXPC-OFNKIYASSA-N 2 0 398.595 3.894 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)CC1 ZINC000171710826 856238584 /nfs/dbraw/zinc/23/85/84/856238584.db2.gz ZKCOPRWJVSIDMO-PMACEKPBSA-N 2 0 398.595 3.614 20 30 GHEDRP COC(=O)C1(C)CCC([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168771131 865415961 /nfs/dbraw/zinc/41/59/61/865415961.db2.gz SWPLEUUICKAGKG-FDNODPCQSA-N 2 0 383.536 3.752 20 30 GHEDRP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534228896 866295537 /nfs/dbraw/zinc/29/55/37/866295537.db2.gz HQJCDWBFYSQASA-OAQYLSRUSA-N 2 0 383.580 3.788 20 30 GHEDRP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1)CC1CC1 ZINC000540049353 870262564 /nfs/dbraw/zinc/26/25/64/870262564.db2.gz KJQBHHNPJSYMCY-GOSISDBHSA-N 2 0 382.552 3.719 20 30 GHEDRP C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000105462677 875299968 /nfs/dbraw/zinc/29/99/68/875299968.db2.gz PYJDVFNACVVNII-ZWKOTPCHSA-N 2 0 396.510 3.719 20 30 GHEDRP C#CCOc1cccc(Cl)c1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000850362575 876849516 /nfs/dbraw/zinc/84/95/16/876849516.db2.gz PHYNTCGADWDDGK-UHFFFAOYSA-N 2 0 383.923 3.749 20 30 GHEDRP N#Cc1ccc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(C(F)(F)F)c1 ZINC000609961977 877221425 /nfs/dbraw/zinc/22/14/25/877221425.db2.gz QCNXCCOQZOLSCE-UHFFFAOYSA-N 2 0 389.425 3.596 20 30 GHEDRP C[NH+](C)Cc1cc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)ccc1F ZINC000181755372 907070899 /nfs/dbraw/zinc/07/08/99/907070899.db2.gz HSOCWBBVFXDNGU-UHFFFAOYSA-N 2 0 380.511 3.513 20 30 GHEDRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccc(OCC#N)cc1 ZINC000245964190 910024632 /nfs/dbraw/zinc/02/46/32/910024632.db2.gz YRVKFOBHQVUIQZ-RDPSFJRHSA-N 2 0 392.547 3.618 20 30 GHEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])NCC2CCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000304764534 915700838 /nfs/dbraw/zinc/70/08/38/915700838.db2.gz YCEURCSWMFIORJ-SJLPKXTDSA-N 2 0 382.474 3.793 20 30 GHEDRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000411540519 926503493 /nfs/dbraw/zinc/50/34/93/926503493.db2.gz NGDWDVMFVKBGTM-RTBURBONSA-N 2 0 390.531 3.633 20 30 GHEDRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)cc1 ZINC001204271169 1032715278 /nfs/dbraw/zinc/71/52/78/1032715278.db2.gz HHMNBPBISXJENM-XMMPIXPASA-N 2 0 393.531 3.932 20 30 GHEDRP N#Cc1ccc(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)cc1F ZINC001139527468 1026385549 /nfs/dbraw/zinc/38/55/49/1026385549.db2.gz CQDJIZDUTVJZEM-VWNXMTODSA-N 2 0 397.538 3.658 20 30 GHEDRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3cc(C#N)ccc3N(C)C)CC2)cc1 ZINC001461175342 1069427008 /nfs/dbraw/zinc/42/70/08/1069427008.db2.gz WGFDEDNPFCSTRH-UHFFFAOYSA-N 2 0 392.547 3.635 20 30 GHEDRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3csc(C#N)c3)cc2)C[C@H]1C ZINC001461399696 1069533693 /nfs/dbraw/zinc/53/36/93/1069533693.db2.gz IHUHQRCLTNAEJW-QZTJIDSGSA-N 2 0 383.561 3.919 20 30 GHEDRP C=CC[N@H+]1CCc2c(Cl)c(O[C@@H]3CC[NH2+]C3)c(O)cc2[C@H](c2ccccc2)C1 ZINC001218038845 1030736489 /nfs/dbraw/zinc/73/64/89/1030736489.db2.gz ZVZPYQSGKQKQMF-XLIONFOSSA-N 2 0 398.934 3.962 20 30 GHEDRP N#Cc1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)ccc1F ZINC001205472916 1033428837 /nfs/dbraw/zinc/42/88/37/1033428837.db2.gz LJCXJGBONKRAIA-UHFFFAOYSA-N 2 0 379.479 3.564 20 30 GHEDRP N#Cc1cc(Nc2cc(F)ccc2OCC2CC[NH2+]CC2)cc(C2C[NH2+]C2)c1 ZINC001159889809 1034776545 /nfs/dbraw/zinc/77/65/45/1034776545.db2.gz VRPSKLYRMFTHBK-UHFFFAOYSA-N 2 0 380.467 3.506 20 30 GHEDRP C=CCOC(=O)N1CCC2(CC1)CC[NH+](C1CCC3(CC[NH2+]CC3)CC1)CC2 ZINC001246524529 1037455256 /nfs/dbraw/zinc/45/52/56/1037455256.db2.gz GIGIHOINUSHWCS-UHFFFAOYSA-N 2 0 389.584 3.799 20 30 GHEDRP C=CCN1CC[C@@]2(C[N@H+]([C@H]3CC[NH2+][C@@H](CCCC)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246704500 1037559288 /nfs/dbraw/zinc/55/92/88/1037559288.db2.gz WAASHXGGNDRSNS-UCKMRUJXSA-N 2 0 395.591 3.801 20 30 GHEDRP CCCCCCCC[C@H](O)C[N@@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001252126876 1038876359 /nfs/dbraw/zinc/87/63/59/1038876359.db2.gz UMDGOOMCAZRUMX-XPWALMASSA-N 2 0 380.617 3.778 20 30 GHEDRP N#Cc1ccc2nc(C[N@@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)cn2c1 ZINC001237615178 1042282178 /nfs/dbraw/zinc/28/21/78/1042282178.db2.gz VEUDWBNPXCUCBE-UHFFFAOYSA-N 2 0 385.515 3.694 20 30 GHEDRP C=CCOC(=O)N1CCCC2(CC[NH+](C3CC[NH+](C(C)(C)C)CC3)CC2)C1 ZINC001256568802 1043542065 /nfs/dbraw/zinc/54/20/65/1043542065.db2.gz FXFKQTPCLXEVGK-UHFFFAOYSA-N 2 0 377.573 3.750 20 30 GHEDRP N#CC1(C[C@@H](O)C[NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)CCC1 ZINC001460315635 1068921469 /nfs/dbraw/zinc/92/14/69/1068921469.db2.gz SZBWIXIVVRERHX-JOCHJYFZSA-N 2 0 381.564 3.809 20 30 GHEDRP FC(F)(F)Oc1ccc(C#CCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246563840 834931353 /nfs/dbraw/zinc/93/13/53/834931353.db2.gz LCDRMVPSFZWVFQ-FXAWDEMLSA-N 2 0 378.438 3.885 20 30 GHEDRP CC1CC[NH+](CCC[C@H]([NH2+]C2CCN(CC#N)CC2)c2ccc(F)cc2)CC1 ZINC000585725470 842218239 /nfs/dbraw/zinc/21/82/39/842218239.db2.gz PUHRAEXMZCNBJA-QHCPKHFHSA-N 2 0 386.559 3.956 20 30 GHEDRP N#Cc1ccc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000421360620 846173371 /nfs/dbraw/zinc/17/33/71/846173371.db2.gz FEEAFPMTKPNQKT-UHFFFAOYSA-N 2 0 381.495 3.858 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)NCC(CC)(CC)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000502791374 846468809 /nfs/dbraw/zinc/46/88/09/846468809.db2.gz BBHZJQCCEPEKIK-IBGZPJMESA-N 2 0 386.584 3.846 20 30 GHEDRP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)c2ccccc2)CC1 ZINC000594503275 858195468 /nfs/dbraw/zinc/19/54/68/858195468.db2.gz UGGBIBWZRUOZHE-HSZRJFAPSA-N 2 0 376.548 3.566 20 30 GHEDRP N#CC1(c2ccccc2)CCC([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000595066093 858368807 /nfs/dbraw/zinc/36/88/07/858368807.db2.gz BWWINGABFUWDIP-OADZCNSWSA-N 2 0 389.543 3.747 20 30 GHEDRP CC(C)([NH2+]CCOCC[NH2+]C(C)(C)c1cccc(C#N)c1)c1cccc(C#N)c1 ZINC000595640242 858618994 /nfs/dbraw/zinc/61/89/94/858618994.db2.gz QPQBLRXVFMTWHL-UHFFFAOYSA-N 2 0 390.531 3.796 20 30 GHEDRP CCc1ccc(C(=O)C(C(=S)NCC(C)(C)C[NH+](C)C)[n+]2ccccc2)cc1 ZINC000170715473 860612826 /nfs/dbraw/zinc/61/28/26/860612826.db2.gz UCGWDDDKEZTOHU-UHFFFAOYSA-O 2 0 398.596 3.653 20 30 GHEDRP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000262368943 863301214 /nfs/dbraw/zinc/30/12/14/863301214.db2.gz IESRPCQCHNPHMC-YCZSINBZSA-N 2 0 398.595 3.581 20 30 GHEDRP C[C@H]([NH2+]CC#CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000792874356 881762418 /nfs/dbraw/zinc/76/24/18/881762418.db2.gz FLWITJNMRYFKBY-HOTGVXAUSA-N 2 0 382.420 3.508 20 30 GHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(OC)c(C#N)c2)CC1 ZINC000174353257 865757994 /nfs/dbraw/zinc/75/79/94/865757994.db2.gz BIGWBNNLIFPGME-QGZVFWFLSA-N 2 0 396.510 3.699 20 30 GHEDRP CC1CC[NH+]([C@@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)c2cccs2)CC1 ZINC000304511886 866500342 /nfs/dbraw/zinc/50/03/42/866500342.db2.gz XEICDNDWUVRRSY-MOPGFXCFSA-N 2 0 398.576 3.949 20 30 GHEDRP [NH2+]=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)Nc1cccc2c1CCCC2 ZINC000304667796 866504420 /nfs/dbraw/zinc/50/44/20/866504420.db2.gz LGWWRYCCYZWFPP-HXUWFJFHSA-N 2 0 376.548 3.857 20 30 GHEDRP C[C@H]1C[NH+](CC2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000478966537 866932226 /nfs/dbraw/zinc/93/22/26/866932226.db2.gz RPJWLXBRYUGYSI-ROUUACIJSA-N 2 0 394.481 3.878 20 30 GHEDRP Cc1cc(N(CCC#N)C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)ccc1Cl ZINC000121665510 882205199 /nfs/dbraw/zinc/20/51/99/882205199.db2.gz VSPLBDONAADKBY-UHFFFAOYSA-N 2 0 390.959 3.559 20 30 GHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(C#N)c(OC)c2)CC1 ZINC000440819770 868758219 /nfs/dbraw/zinc/75/82/19/868758219.db2.gz DGLRESPXZPWZPW-QGZVFWFLSA-N 2 0 396.510 3.699 20 30 GHEDRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000539504594 869243207 /nfs/dbraw/zinc/24/32/07/869243207.db2.gz RAKIUOJEAMPTOC-UHFFFAOYSA-N 2 0 394.466 3.680 20 30 GHEDRP N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(CCC[NH+]4CCCC4)CC3)C2=O)cc1 ZINC000492726021 877425120 /nfs/dbraw/zinc/42/51/20/877425120.db2.gz ATKMABMUGYYXQJ-QHCPKHFHSA-N 2 0 394.563 3.642 20 30 GHEDRP C=C(C[NH+]1CCCC1)C(=O)Nc1cccc2c1C[N@H+](C)C[C@@H]2c1ccccc1 ZINC001183076241 912235310 /nfs/dbraw/zinc/23/53/10/912235310.db2.gz SUXUXJGMMDNLOM-OAQYLSRUSA-N 2 0 375.516 3.854 20 30 GHEDRP C[C@H](Cc1ccc(O)cc1)[NH+](C)CC#CC[N@@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000551699455 877664600 /nfs/dbraw/zinc/66/46/00/877664600.db2.gz CJRFWPYTCYBWDE-BGYRXZFFSA-N 2 0 380.532 3.527 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000116434737 886361309 /nfs/dbraw/zinc/36/13/09/886361309.db2.gz FIJKLSJAMBEEMG-IBGZPJMESA-N 2 0 384.568 3.552 20 30 GHEDRP C=CCc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(O)c(OC)c1 ZINC000794665020 887711105 /nfs/dbraw/zinc/71/11/05/887711105.db2.gz FFTVUNHFUYUXPT-SZPZYZBQSA-N 2 0 378.516 3.693 20 30 GHEDRP N#Cc1ccc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000533446494 890607786 /nfs/dbraw/zinc/60/77/86/890607786.db2.gz IHETZJPSJIJKCP-UHFFFAOYSA-N 2 0 381.495 3.858 20 30 GHEDRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C(=O)NC1(C#N)CCCCC1 ZINC000497320692 890801633 /nfs/dbraw/zinc/80/16/33/890801633.db2.gz XKYSLAFWEBDJSS-HXUWFJFHSA-N 2 0 396.579 3.883 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1OCC ZINC000537346043 894806080 /nfs/dbraw/zinc/80/60/80/894806080.db2.gz VLFZVBAFBDAINY-UHFFFAOYSA-N 2 0 395.341 3.764 20 30 GHEDRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCCC3(C#N)CCOCC3)C2)s1 ZINC000565047199 895368210 /nfs/dbraw/zinc/36/82/10/895368210.db2.gz CXTLOPJRDWSNLF-IBGZPJMESA-N 2 0 375.582 3.911 20 30 GHEDRP C#CCOc1ccc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000824925668 899892696 /nfs/dbraw/zinc/89/26/96/899892696.db2.gz CMMUXMOSCSNDHF-UHFFFAOYSA-N 2 0 377.532 3.519 20 30 GHEDRP COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+]([C@H](C)CCCC#N)CC2 ZINC001172497157 905599534 /nfs/dbraw/zinc/59/95/34/905599534.db2.gz YYTKWZGJVVTLCV-MSOLQXFVSA-N 2 0 376.570 3.528 20 30 GHEDRP C#CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000248447750 912107900 /nfs/dbraw/zinc/10/79/00/912107900.db2.gz NPGFXJAYIHHSSJ-CVDCTZTESA-N 2 0 378.516 3.506 20 30 GHEDRP [NH2+]=C(NCC1([NH+]2CCCCC2)CCCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000303706321 915069138 /nfs/dbraw/zinc/06/91/38/915069138.db2.gz LMHLHGYUKNTNMQ-UHFFFAOYSA-N 2 0 386.540 3.763 20 30 GHEDRP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000799178807 932899603 /nfs/dbraw/zinc/89/96/03/932899603.db2.gz LGDJVBIQKXLIRE-OAQYLSRUSA-N 2 0 396.579 3.746 20 30 GHEDRP C#CCOc1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@@H]3C2)cc1OC ZINC001138345178 1024706908 /nfs/dbraw/zinc/70/69/08/1024706908.db2.gz KYXFKIFKHKZWBU-ZRZAMGCNSA-N 2 0 390.527 3.579 20 30 GHEDRP N#Cc1cc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)ncc1Cl ZINC001162928276 1025970123 /nfs/dbraw/zinc/97/01/23/1025970123.db2.gz IGWNEVGFNQGLKA-IBGZPJMESA-N 2 0 395.938 3.520 20 30 GHEDRP N#Cc1cc2[nH]ccc2c(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001162941266 1025979008 /nfs/dbraw/zinc/97/90/08/1025979008.db2.gz UBUKTKPDUKVVGE-NRFANRHFSA-N 2 0 399.542 3.953 20 30 GHEDRP C[NH+]1CCC(C2CC[NH+](Cc3cc(C#N)ccc3Br)CC2)CC1 ZINC001141661070 1026155767 /nfs/dbraw/zinc/15/57/67/1026155767.db2.gz XCTLYKMXKJIJGL-UHFFFAOYSA-N 2 0 376.342 3.875 20 30 GHEDRP CC(C)[NH+]1CCN(c2ccc(NC(=[NH2+])c3ccc(C(F)(F)F)cc3)cn2)CC1 ZINC001163680604 1026281107 /nfs/dbraw/zinc/28/11/07/1026281107.db2.gz SAFXQBZBEHBTMD-UHFFFAOYSA-N 2 0 391.441 3.668 20 30 GHEDRP CN1CCc2c(NC(=N)c3ccc(C(F)(F)F)cc3)ccc([N+](=O)[O-])c2C1 ZINC001163685456 1026282526 /nfs/dbraw/zinc/28/25/26/1026282526.db2.gz OFWMMMPMMFQTLE-UHFFFAOYSA-N 2 0 378.354 3.639 20 30 GHEDRP Cc1ccc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccccn4)CO3)CC2)cc1C#N ZINC001139725023 1026568646 /nfs/dbraw/zinc/56/86/46/1026568646.db2.gz ZMAOONKXWAUKTR-HSZRJFAPSA-N 2 0 390.531 3.517 20 30 GHEDRP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C1CCCC1 ZINC001139869268 1026683133 /nfs/dbraw/zinc/68/31/33/1026683133.db2.gz CVVHLBMKKLMNRC-BJKOFHAPSA-N 2 0 397.607 3.891 20 30 GHEDRP C#Cc1cccc(C[NH+]2CCC3(C[C@H](COC)N(Cc4nccs4)C3)CC2)c1 ZINC001231656100 1034813076 /nfs/dbraw/zinc/81/30/76/1034813076.db2.gz XQOZKWJEMJCOKX-OAQYLSRUSA-N 2 0 395.572 3.628 20 30 GHEDRP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](CCc1ccc(C#N)cc1)CC2 ZINC001208922429 1035089781 /nfs/dbraw/zinc/08/97/81/1035089781.db2.gz GROHERMZXINHLO-XMMPIXPASA-N 2 0 389.543 3.856 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC001245979337 1037103352 /nfs/dbraw/zinc/10/33/52/1037103352.db2.gz ULRUYZNEGGVPIR-YADHBBJMSA-N 2 0 386.621 3.501 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+][C@H]1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001245981386 1037105888 /nfs/dbraw/zinc/10/58/88/1037105888.db2.gz GQBFRCDFQFKXCI-MLCQCVOFSA-N 2 0 398.632 3.641 20 30 GHEDRP COc1ccc2c(c1)C1(C[C@H]2[NH2+][C@@H](C)Cc2cccc(C#N)c2)CC[NH2+]CC1 ZINC001246127683 1037205843 /nfs/dbraw/zinc/20/58/43/1037205843.db2.gz OWRVMZGZJYCWJX-GAJHUEQPSA-N 2 0 375.516 3.854 20 30 GHEDRP COc1ccc2c(c1)C1(C[C@H]2[NH2+][C@H](C)Cc2ccc(C#N)cc2)CC[NH2+]CC1 ZINC001246131855 1037208598 /nfs/dbraw/zinc/20/85/98/1037208598.db2.gz YNJBXANGOIMRDK-UZUQRXQVSA-N 2 0 375.516 3.854 20 30 GHEDRP O=C(CC[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)N1Cc2ccccc2C#Cc2ccccc21 ZINC001246332258 1037299114 /nfs/dbraw/zinc/29/91/14/1037299114.db2.gz GTJDPEZNWWJGJA-HSZRJFAPSA-N 2 0 399.538 3.587 20 30 GHEDRP Cc1cc(C#N)ccc1C[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccccn3)CO2)CC1 ZINC001233079838 1038848586 /nfs/dbraw/zinc/84/85/86/1038848586.db2.gz OZYJXDRKICAINN-QHCPKHFHSA-N 2 0 390.531 3.517 20 30 GHEDRP N#C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC001254649152 1040417750 /nfs/dbraw/zinc/41/77/50/1040417750.db2.gz NTAXYBSDMAWVBT-VQIMIIECSA-N 2 0 376.342 3.943 20 30 GHEDRP C=CCOC(=O)N1CCC(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255397249 1040984348 /nfs/dbraw/zinc/98/43/48/1040984348.db2.gz NVEGUPMMERVGOI-JOCHJYFZSA-N 2 0 385.552 3.665 20 30 GHEDRP C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccc4c(c3)C(C(C)C)=[NH+]CC4)C2)C1=O ZINC001237876774 1042405472 /nfs/dbraw/zinc/40/54/72/1042405472.db2.gz HXPOEMRJGLKWMK-XMMPIXPASA-N 2 0 379.548 3.688 20 30 GHEDRP C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1ccc3c(c1)C(C(C)C)=[NH+]CC3)CC2 ZINC001237880938 1042407500 /nfs/dbraw/zinc/40/75/00/1042407500.db2.gz KIEKOQZGRQDAIQ-UHFFFAOYSA-N 2 0 395.547 3.908 20 30 GHEDRP CCCCCCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001258048929 1044370743 /nfs/dbraw/zinc/37/07/43/1044370743.db2.gz ZIDLBJGLLLRAST-DNVJHFABSA-N 2 0 379.633 3.996 20 30 GHEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCc2ccccn2)C1 ZINC001258728948 1044735501 /nfs/dbraw/zinc/73/55/01/1044735501.db2.gz RVXTXJATEAHIOW-BGWNEDDSSA-N 2 0 383.580 3.987 20 30 GHEDRP C#CCN(C(=O)NCC(CC)(CC)[NH2+][C@@H](C)c1ccccc1)C1CC[NH+](C)CC1 ZINC001477908070 1078623067 /nfs/dbraw/zinc/62/30/67/1078623067.db2.gz WNSMAZOLAQKHKU-FQEVSTJZSA-N 2 0 398.595 3.635 20 30 GHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCc2ccc(C#N)cc2)CC1 ZINC001473340862 1073927564 /nfs/dbraw/zinc/92/75/64/1073927564.db2.gz NAKKJODPCNKJPM-SFHVURJKSA-N 2 0 380.511 3.733 20 30 GHEDRP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000728571595 834789520 /nfs/dbraw/zinc/78/95/20/834789520.db2.gz GIRQFOLCRDGTDK-FQEVSTJZSA-N 2 0 384.568 3.682 20 30 GHEDRP CCCC[N@H+](C)CC1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279383265 843032666 /nfs/dbraw/zinc/03/26/66/843032666.db2.gz KMPNIVRGKGITDR-UHFFFAOYSA-N 2 0 394.567 3.803 20 30 GHEDRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000512265031 843264312 /nfs/dbraw/zinc/26/43/12/843264312.db2.gz XFSQFAXJOMFBAY-LRZVDXDASA-N 2 0 390.616 3.750 20 30 GHEDRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccccc1C#N ZINC000025702329 861485232 /nfs/dbraw/zinc/48/52/32/861485232.db2.gz CQUAWPXXASMUFG-GOSISDBHSA-N 2 0 376.504 3.661 20 30 GHEDRP COc1ccc(NC(=[NH2+])NC[C@@H](C)N2CCc3sccc3C2)cc1Cl ZINC000261998762 850153776 /nfs/dbraw/zinc/15/37/76/850153776.db2.gz ORSJGUQHWOEWDN-GFCCVEGCSA-N 2 0 378.929 3.584 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000414795702 850533236 /nfs/dbraw/zinc/53/32/36/850533236.db2.gz GYWMLASBKSZCNP-GOEBONIOSA-N 2 0 383.330 3.630 20 30 GHEDRP N#Cc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000589510214 854913924 /nfs/dbraw/zinc/91/39/24/854913924.db2.gz AQSQZVBOWNVRNZ-UHFFFAOYSA-N 2 0 395.469 3.901 20 30 GHEDRP CC[NH+](CC)CC1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000507963826 856738780 /nfs/dbraw/zinc/73/87/80/856738780.db2.gz FJFSJTBKHDHYHA-UHFFFAOYSA-N 2 0 376.932 3.594 20 30 GHEDRP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158858471 858413004 /nfs/dbraw/zinc/41/30/04/858413004.db2.gz ZWHJLBAPCJBKHI-PMACEKPBSA-N 2 0 388.600 3.694 20 30 GHEDRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC(=O)Nc1sccc1C#N ZINC000249280093 859127726 /nfs/dbraw/zinc/12/77/26/859127726.db2.gz KPJNBOGDQJINRP-LFUKPOHLSA-N 2 0 396.560 3.695 20 30 GHEDRP C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](CC)CC3)cc2)cc1 ZINC000765011114 859726079 /nfs/dbraw/zinc/72/60/79/859726079.db2.gz SKOWWVZCKWJBMU-NRFANRHFSA-N 2 0 391.559 3.687 20 30 GHEDRP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534228895 866295816 /nfs/dbraw/zinc/29/58/16/866295816.db2.gz HQJCDWBFYSQASA-NRFANRHFSA-N 2 0 383.580 3.788 20 30 GHEDRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])NCCc2cccs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000305711953 866628315 /nfs/dbraw/zinc/62/83/15/866628315.db2.gz YBXYQYMUUOMOOE-KBXCAEBGSA-N 2 0 394.947 3.680 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)NCC(CC)(CC)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000502791375 868242333 /nfs/dbraw/zinc/24/23/33/868242333.db2.gz BBHZJQCCEPEKIK-LJQANCHMSA-N 2 0 386.584 3.846 20 30 GHEDRP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000524156119 868624372 /nfs/dbraw/zinc/62/43/72/868624372.db2.gz KRVKOVRRUFKCLB-UHFFFAOYSA-N 2 0 384.568 3.602 20 30 GHEDRP CCOC(=O)N1CCC[C@@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169670976 871735190 /nfs/dbraw/zinc/73/51/90/871735190.db2.gz BFOAJTPUZRPJCK-YPAWHYETSA-N 2 0 398.551 3.641 20 30 GHEDRP C#CC[NH+]1CCC(c2nc(-c3ccc(C[NH+]4CCC(C)CC4)cc3)no2)CC1 ZINC000770850134 874885677 /nfs/dbraw/zinc/88/56/77/874885677.db2.gz GIWUHRJNNNBINT-UHFFFAOYSA-N 2 0 378.520 3.781 20 30 GHEDRP C[N@H+](Cc1ccccc1C[NH2+]Cc1cnc2c(C#N)cnn2c1)C1CCCCC1 ZINC000550966577 882933808 /nfs/dbraw/zinc/93/38/08/882933808.db2.gz NZFRLOIKLTVJMT-UHFFFAOYSA-N 2 0 388.519 3.655 20 30 GHEDRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCCOc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000477303574 877403872 /nfs/dbraw/zinc/40/38/72/877403872.db2.gz PLERVQCWNUAJBS-BGYRXZFFSA-N 2 0 385.552 3.538 20 30 GHEDRP C[C@@H](Cc1ccc(O)cc1)[NH+](C)CC#CC[N@@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000551699457 877664009 /nfs/dbraw/zinc/66/40/09/877664009.db2.gz CJRFWPYTCYBWDE-PMACEKPBSA-N 2 0 380.532 3.527 20 30 GHEDRP Cc1nccn1CCC[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000130765266 883680479 /nfs/dbraw/zinc/68/04/79/883680479.db2.gz MDZJVDTUIMKTPI-UHFFFAOYSA-N 2 0 396.539 3.557 20 30 GHEDRP CC1(Nc2ncccc2C2(C#N)CC[NH+](Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC001168184273 884762403 /nfs/dbraw/zinc/76/24/03/884762403.db2.gz VXHXCOSNENFOPI-UHFFFAOYSA-N 2 0 389.547 3.693 20 30 GHEDRP CO[C@@H]1CC[NH+](Cc2cc(C#N)cc(C[N@H+]3CC[C@H](OC)C[C@H]3C)c2)[C@@H](C)C1 ZINC000878554920 894381030 /nfs/dbraw/zinc/38/10/30/894381030.db2.gz MQDSYNZLIQMJDB-BRNYJPRKSA-N 2 0 385.552 3.557 20 30 GHEDRP N#Cc1ccc([C@@H](O)C[NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000819047974 896339673 /nfs/dbraw/zinc/33/96/73/896339673.db2.gz FBYHPVMWYDPNRT-VWLOTQADSA-N 2 0 391.559 3.916 20 30 GHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132566155 897831567 /nfs/dbraw/zinc/83/15/67/897831567.db2.gz FMDJHGCPEVNQPL-WIYYLYMNSA-N 2 0 379.976 3.741 20 30 GHEDRP C#Cc1ccc(C[NH+]2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)cc1 ZINC001144568867 902399721 /nfs/dbraw/zinc/39/97/21/902399721.db2.gz GMJRMBIWRPQDAH-XMMPIXPASA-N 2 0 389.543 3.566 20 30 GHEDRP [NH2+]=C(NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1 ZINC000303368883 914730901 /nfs/dbraw/zinc/73/09/01/914730901.db2.gz JESGCOCYVSVKFB-UHFFFAOYSA-N 2 0 399.542 3.936 20 30 GHEDRP COc1ccc(NC(=[NH2+])NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000104162897 904545891 /nfs/dbraw/zinc/54/58/91/904545891.db2.gz RKJRSOIOOKRBRU-QGZVFWFLSA-N 2 0 396.535 3.863 20 30 GHEDRP C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC001172113448 905363896 /nfs/dbraw/zinc/36/38/96/905363896.db2.gz IWYGFLLJBZKWNO-ACDBMABISA-N 2 0 375.557 3.502 20 30 GHEDRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C[C@H]1C#N ZINC001172972524 906037298 /nfs/dbraw/zinc/03/72/98/906037298.db2.gz AAKUQNYPXOTIFC-QUCCMNQESA-N 2 0 390.572 3.665 20 30 GHEDRP C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(OCC#N)cc1 ZINC000181701338 907057786 /nfs/dbraw/zinc/05/77/86/907057786.db2.gz SOIJKLASHBBYRU-ROUUACIJSA-N 2 0 396.510 3.892 20 30 GHEDRP CC[NH+](CC)CCOc1ccc(CNC(=[NH2+])Nc2cc(C)cc(C)c2)cc1OC ZINC000303875595 915235072 /nfs/dbraw/zinc/23/50/72/915235072.db2.gz DNSDZWFVRUHSQW-UHFFFAOYSA-N 2 0 398.551 3.959 20 30 GHEDRP COc1ccc(NC(=[NH2+])NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1OC ZINC000303905352 915307017 /nfs/dbraw/zinc/30/70/17/915307017.db2.gz ZIGNDFCOBCHCGM-LJQANCHMSA-N 2 0 382.508 3.576 20 30 GHEDRP CC1CC[NH+](CCCCNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000304512556 915526441 /nfs/dbraw/zinc/52/64/41/915526441.db2.gz XLZVHLCVGQNRCT-UHFFFAOYSA-N 2 0 386.462 3.502 20 30 GHEDRP N#Cc1c(Cl)ccnc1NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001155357496 1032516444 /nfs/dbraw/zinc/51/64/44/1032516444.db2.gz GCPKACHWOKSLTK-SFHVURJKSA-N 2 0 395.938 3.520 20 30 GHEDRP C[C@H]([NH2+]C1(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)CCOCC1)c1ccccc1 ZINC000304747870 1021153635 /nfs/dbraw/zinc/15/36/35/1021153635.db2.gz GTEGZHSKRUKFRQ-SFHVURJKSA-N 2 0 392.547 3.802 20 30 GHEDRP N#Cc1ccc(CC[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cc1 ZINC001222573775 1030205291 /nfs/dbraw/zinc/20/52/91/1030205291.db2.gz DQIKNCMFPTZEJI-DEOSSOPVSA-N 2 0 389.543 3.904 20 30 GHEDRP C=CC[N@@H+]1CCc2c(Cl)c(O[C@@H]3C[NH2+][C@@H]3C)c(O)cc2[C@@H](c2ccccc2)C1 ZINC001218393746 1030917887 /nfs/dbraw/zinc/91/78/87/1030917887.db2.gz VWSBYBKDTLFIQN-QFIXIFRTSA-N 2 0 398.934 3.961 20 30 GHEDRP N#Cc1c2c(sc1N=C1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C[NH2+]CC2 ZINC001159159393 1034458587 /nfs/dbraw/zinc/45/85/87/1034458587.db2.gz HBDAZCOYRBSPEW-MSOLQXFVSA-N 2 0 376.529 3.998 20 30 GHEDRP C[NH+]1CCC(COc2cccc(F)c2Nc2cc(C#N)cc(C3C[NH2+]C3)c2)CC1 ZINC001160135552 1034877039 /nfs/dbraw/zinc/87/70/39/1034877039.db2.gz VRAUPPCLFLTABZ-UHFFFAOYSA-N 2 0 394.494 3.848 20 30 GHEDRP N#CC1(c2ccc(F)cc2)CCC([NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001246176285 1037224261 /nfs/dbraw/zinc/22/42/61/1037224261.db2.gz WFKHWRXMCUESGH-UHFFFAOYSA-N 2 0 392.522 3.729 20 30 GHEDRP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)CC2 ZINC001246631015 1037518193 /nfs/dbraw/zinc/51/81/93/1037518193.db2.gz NLPGNWHGNSGFGZ-SFHVURJKSA-N 2 0 375.516 3.635 20 30 GHEDRP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+]([C@H](C)Cc1cccc(C#N)c1)CC2 ZINC001246631013 1037519438 /nfs/dbraw/zinc/51/94/38/1037519438.db2.gz NLPGNWHGNSGFGZ-GOSISDBHSA-N 2 0 375.516 3.635 20 30 GHEDRP CCOC(=O)[C@H]1CCC[C@@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255348161 1040954141 /nfs/dbraw/zinc/95/41/41/1040954141.db2.gz BNMVDNYLQLTZRU-MYGLTJDJSA-N 2 0 383.536 3.752 20 30 GHEDRP C=CCOC(=O)N1CCC2(C[NH+]([C@H]3CCC[N@H+](Cc4ccccc4)CC3)C2)CC1 ZINC001255399425 1040984578 /nfs/dbraw/zinc/98/45/78/1040984578.db2.gz RRIUSJXMVTYGCU-QFIPXVFZSA-N 2 0 397.563 3.762 20 30 GHEDRP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001255959881 1041438301 /nfs/dbraw/zinc/43/83/01/1041438301.db2.gz BGWPAMATYGWBJV-QPPBQGQZSA-N 2 0 398.595 3.597 20 30 GHEDRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C[C@H]2C1 ZINC001335133620 1052041197 /nfs/dbraw/zinc/04/11/97/1052041197.db2.gz KFUKRFOBYYQTGR-KCZVDYSFSA-N 2 0 377.536 3.626 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1OC ZINC000415015780 839064318 /nfs/dbraw/zinc/06/43/18/839064318.db2.gz ZJTKSZDACNBJNT-DOTOQJQBSA-N 2 0 395.341 3.500 20 30 GHEDRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CCCO1 ZINC000432359162 842166939 /nfs/dbraw/zinc/16/69/39/842166939.db2.gz PCGCSGINJHNAGV-HXUWFJFHSA-N 2 0 393.531 3.728 20 30 GHEDRP CN(c1ccccc1C=[NH+]NCCCOc1ccccc1)C1CC[NH+](C)CC1 ZINC000729148262 844750230 /nfs/dbraw/zinc/75/02/30/844750230.db2.gz WKMVCIGIJUXICD-UHFFFAOYSA-N 2 0 380.536 3.610 20 30 GHEDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000478054772 846930353 /nfs/dbraw/zinc/93/03/53/846930353.db2.gz SFVAFNGXVCCOBB-IBGZPJMESA-N 2 0 382.552 3.863 20 30 GHEDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000151171380 847108492 /nfs/dbraw/zinc/10/84/92/847108492.db2.gz LOKSCHPFUFWZNM-IBGZPJMESA-N 2 0 382.552 3.863 20 30 GHEDRP N#Cc1ccc(C[NH+]2CCC(N[C@H](C[NH3+])c3ccc4ccccc4c3)CC2)cc1 ZINC000423388329 849896397 /nfs/dbraw/zinc/89/63/97/849896397.db2.gz IOTBIEHGWXIHBI-RUZDIDTESA-N 2 0 384.527 3.965 20 30 GHEDRP COc1cc(C[NH+]2CCC[C@H](CC#N)C2)cc(C[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595623297 858620857 /nfs/dbraw/zinc/62/08/57/858620857.db2.gz LZXYMVAREIZYIO-BGYRXZFFSA-N 2 0 380.536 3.947 20 30 GHEDRP C=C(C[NH+](C)C)C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000764457962 859455243 /nfs/dbraw/zinc/45/52/43/859455243.db2.gz XLTVTXVGEXSULT-UHFFFAOYSA-N 2 0 384.351 3.536 20 30 GHEDRP N#CC1(c2ccccc2)CCC([NH2+]C2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC001170371130 881433819 /nfs/dbraw/zinc/43/38/19/881433819.db2.gz BQPZHIQTYIDMQL-UHFFFAOYSA-N 2 0 381.564 3.871 20 30 GHEDRP C[N@H+](C1CCOCC1)C1CC[NH+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170389247 881503393 /nfs/dbraw/zinc/50/33/93/881503393.db2.gz OGSNYPCTXMGCAU-UHFFFAOYSA-N 2 0 381.564 3.966 20 30 GHEDRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccccc3C(C)(C)C#N)C2)ccn1 ZINC000856588677 881560066 /nfs/dbraw/zinc/56/00/66/881560066.db2.gz BHJHOVBMWATDNK-JOCHJYFZSA-N 2 0 392.547 3.988 20 30 GHEDRP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1)CC(C)C ZINC000539100224 871317028 /nfs/dbraw/zinc/31/70/28/871317028.db2.gz TZNSEEMAXHKFLE-FQEVSTJZSA-N 2 0 390.616 3.798 20 30 GHEDRP C[N@H+](CCOc1cccc(C[NH2+]C2CCC(C)(C#N)CC2)c1)C1CCOCC1 ZINC000449116849 874499774 /nfs/dbraw/zinc/49/97/74/874499774.db2.gz MMTPJESZKNNWOL-UHFFFAOYSA-N 2 0 385.552 3.738 20 30 GHEDRP C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1 ZINC000105462669 875300083 /nfs/dbraw/zinc/30/00/83/875300083.db2.gz PYJDVFNACVVNII-ROUUACIJSA-N 2 0 396.510 3.719 20 30 GHEDRP N#Cc1ccc(CN2CCC([NH2+]C3CCC([NH+]4CCCCC4)CC3)CC2)cc1 ZINC000776162817 875670777 /nfs/dbraw/zinc/67/07/77/875670777.db2.gz MHFDIIKCJUZARV-UHFFFAOYSA-N 2 0 380.580 3.909 20 30 GHEDRP COc1ccc([C@@H](OC)[C@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000271848642 875709929 /nfs/dbraw/zinc/70/99/29/875709929.db2.gz IFSYOIBMIFWOKI-UUOWRZLLSA-N 2 0 393.531 3.897 20 30 GHEDRP Cc1cc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)ccc1C#N ZINC000443975597 877296020 /nfs/dbraw/zinc/29/60/20/877296020.db2.gz AGJVJWAXKZQVAO-UHFFFAOYSA-N 2 0 376.548 3.554 20 30 GHEDRP C#Cc1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)cc1 ZINC000809620003 887592445 /nfs/dbraw/zinc/59/24/45/887592445.db2.gz ASQWKUHXPZWTAZ-UHFFFAOYSA-N 2 0 387.449 3.728 20 30 GHEDRP CC(C)O[C@@H]1CC[NH+](Cc2cc(C#N)cc(C[N@H+]3CC[C@@H](OC(C)C)C3)c2)C1 ZINC000878755216 894581513 /nfs/dbraw/zinc/58/15/13/894581513.db2.gz GEDHIHBTDMOVFJ-DHIUTWEWSA-N 2 0 385.552 3.557 20 30 GHEDRP CCN(CC)c1ccc(/C=[NH+]/CC2(N3CCCCC3)CC[NH+](C)CC2)c(O)c1 ZINC000132382565 897771677 /nfs/dbraw/zinc/77/16/77/897771677.db2.gz VZAFAEYYNBXAMY-HKOYGPOVSA-N 2 0 386.584 3.608 20 30 GHEDRP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)C1 ZINC001171628653 904851368 /nfs/dbraw/zinc/85/13/68/904851368.db2.gz FHFFGUDKXMXBQY-QFIPXVFZSA-N 2 0 377.573 3.748 20 30 GHEDRP COC(=O)[C@H]1CCC[C@@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172780851 905820736 /nfs/dbraw/zinc/82/07/36/905820736.db2.gz KQXQBHNQMAUELL-KJJMTIBFSA-N 2 0 383.536 3.752 20 30 GHEDRP CC[NH+](CC)C1CCC([N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1 ZINC001173111979 906200481 /nfs/dbraw/zinc/20/04/81/906200481.db2.gz OLYMUAJINJODGO-VUNKPPBISA-N 2 0 394.563 3.640 20 30 GHEDRP N#CC1(c2ccccc2)CCC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000271481422 910922183 /nfs/dbraw/zinc/92/21/83/910922183.db2.gz JCYOQKITMJCORW-PTMOQOSQSA-N 2 0 381.564 3.748 20 30 GHEDRP CCCCC[N@H+](C)CCC(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001181868658 911049901 /nfs/dbraw/zinc/04/99/01/911049901.db2.gz MBJKZFDXFSFDDO-HZCBDIJESA-N 2 0 384.568 3.669 20 30 GHEDRP C[N@H+](CCCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)Cc1ccccc1 ZINC000303785723 915127403 /nfs/dbraw/zinc/12/74/03/915127403.db2.gz QQZCLFOCCYTZLF-UHFFFAOYSA-N 2 0 380.414 3.834 20 30 GHEDRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NCC2CCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000304764532 915700357 /nfs/dbraw/zinc/70/03/57/915700357.db2.gz YCEURCSWMFIORJ-FUHWJXTLSA-N 2 0 382.474 3.793 20 30 GHEDRP C[C@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)c1cc(C#N)ccn1 ZINC000902833440 922541243 /nfs/dbraw/zinc/54/12/43/922541243.db2.gz ZUVJZZYPSJVVRB-IBGZPJMESA-N 2 0 378.520 3.675 20 30 GHEDRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1C#N ZINC000781422969 930838179 /nfs/dbraw/zinc/83/81/79/930838179.db2.gz OEGGGXQWMRGIAC-MDNUFGMLSA-N 2 0 375.516 3.957 20 30 GHEDRP C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000926101462 932044884 /nfs/dbraw/zinc/04/48/84/932044884.db2.gz NFCYNQGBYKVKNO-OYRHEFFESA-N 2 0 396.579 3.971 20 30 GHEDRP Cn1cc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000798499554 932674604 /nfs/dbraw/zinc/67/46/04/932674604.db2.gz ZPYKOTITGDLJBV-VWLOTQADSA-N 2 0 399.542 3.961 20 30 GHEDRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)cc1 ZINC001204271168 1032714466 /nfs/dbraw/zinc/71/44/66/1032714466.db2.gz HHMNBPBISXJENM-DEOSSOPVSA-N 2 0 393.531 3.932 20 30 GHEDRP C[NH+](C)CCOc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000839190637 1025711551 /nfs/dbraw/zinc/71/15/51/1025711551.db2.gz RLRFPBVRLGOJHK-UHFFFAOYSA-N 2 0 396.510 3.714 20 30 GHEDRP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)cc(C#N)c1)CC2 ZINC001139876846 1026693711 /nfs/dbraw/zinc/69/37/11/1026693711.db2.gz NZCSHEILTBGOLF-QHCPKHFHSA-N 2 0 393.506 3.953 20 30 GHEDRP N#Cc1c(NC(=O)C[C@@H]([NH3+])c2ccc(Cl)cc2Cl)sc2c1CC[NH2+]C2 ZINC001218552469 1030984188 /nfs/dbraw/zinc/98/41/88/1030984188.db2.gz GOZLRVBUJPZTHP-CQSZACIVSA-N 2 0 395.315 3.601 20 30 GHEDRP C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207289860 1034240100 /nfs/dbraw/zinc/24/01/00/1034240100.db2.gz XYGFCWQHTYHUPE-RPBOFIJWSA-N 2 0 398.591 3.972 20 30 GHEDRP C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(F)cc(C[NH+](C)C)c1)[C@@H]2CC ZINC001232149701 1035127803 /nfs/dbraw/zinc/12/78/03/1035127803.db2.gz XXFZLJUHPQFCNL-GGAORHGYSA-N 2 0 387.543 3.809 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@H](O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC001246042571 1037157116 /nfs/dbraw/zinc/15/71/16/1037157116.db2.gz CMHNTRJYYFDYNW-FGZHOGPDSA-N 2 0 386.621 3.582 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@H](O)C[NH+]1CC2(CC([NH3+])C2)C1 ZINC001246043253 1037157383 /nfs/dbraw/zinc/15/73/83/1037157383.db2.gz DYMWTAIWEHHYMF-JOCHJYFZSA-N 2 0 398.632 3.725 20 30 GHEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246306300 1037286460 /nfs/dbraw/zinc/28/64/60/1037286460.db2.gz VHDRDFIPPYKEIR-YJBOKZPZSA-N 2 0 385.335 3.667 20 30 GHEDRP COc1cccc(CC2(C[NH2+][C@H](C)Cc3ccc(C#N)cc3)CC[NH2+]CC2)c1 ZINC001246383263 1037342409 /nfs/dbraw/zinc/34/24/09/1037342409.db2.gz DZPKGRXNXZPIFW-LJQANCHMSA-N 2 0 377.532 3.700 20 30 GHEDRP COc1ccccc1CC1(C[NH2+][C@@H](C)Cc2ccc(C#N)cc2)CC[NH2+]CC1 ZINC001246420259 1037376215 /nfs/dbraw/zinc/37/62/15/1037376215.db2.gz KIHZMYYHGRWERR-IBGZPJMESA-N 2 0 377.532 3.700 20 30 GHEDRP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3CC[NH2+]C4(CCCCC4)C3)C2)CC1 ZINC001246524495 1037454892 /nfs/dbraw/zinc/45/48/92/1037454892.db2.gz FIGCSMYVOFBNSQ-HXUWFJFHSA-N 2 0 389.584 3.942 20 30 GHEDRP N#C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC001254651047 1040419894 /nfs/dbraw/zinc/41/98/94/1040419894.db2.gz ZXOHEZXLXZHWMN-PKOBYXMFSA-N 2 0 376.342 3.943 20 30 GHEDRP C=CCOCc1nn([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2c1C[NH2+]C2 ZINC001255142145 1040850111 /nfs/dbraw/zinc/85/01/11/1040850111.db2.gz PURRMQPGCIMANZ-ACDBMABISA-N 2 0 378.520 3.557 20 30 GHEDRP N#Cc1ccc(Oc2ccc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cn2)cc1 ZINC001235426405 1040927810 /nfs/dbraw/zinc/92/78/10/1040927810.db2.gz KUERMKCCFIFJNM-LEWJYISDSA-N 2 0 376.504 3.957 20 30 GHEDRP COc1ccc(C[N@H+](Cc2ccc(OC)cc2C#N)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236545059 1041757187 /nfs/dbraw/zinc/75/71/87/1041757187.db2.gz ZTZJXYQUHOIZOX-MEMLXQNLSA-N 2 0 379.504 3.848 20 30 GHEDRP C[NH+]1CCC(C2CC[NH+](Cc3ccc(C#N)c(Br)c3)CC2)CC1 ZINC001236863144 1041933196 /nfs/dbraw/zinc/93/31/96/1041933196.db2.gz FSTRPRCAUCFBQH-UHFFFAOYSA-N 2 0 376.342 3.875 20 30 GHEDRP COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](C1CCC(C#N)CC1)CC2 ZINC001256967044 1043777150 /nfs/dbraw/zinc/77/71/50/1043777150.db2.gz TWFDMUOYCSQVPB-ACBHZAAOSA-N 2 0 388.581 3.528 20 30 GHEDRP CC(C)(C)OC(=O)N[C@@H](CCC[NH3+])[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257012446 1043799245 /nfs/dbraw/zinc/79/92/45/1043799245.db2.gz GHBZXGOLCXGWOI-MHJFOBGBSA-N 2 0 386.540 3.764 20 30 GHEDRP C[NH+]1CCC(CN2CC[NH+](C3CCC(c4ccc(C#N)cc4)CC3)CC2)CC1 ZINC001257022245 1043807638 /nfs/dbraw/zinc/80/76/38/1043807638.db2.gz IYYYGRXIHJOGCR-UHFFFAOYSA-N 2 0 380.580 3.544 20 30 GHEDRP N#Cc1ccccc1OCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001459653150 1064155033 /nfs/dbraw/zinc/15/50/33/1064155033.db2.gz HCBWIELHQGNDHY-XZOQPEGZSA-N 2 0 375.516 3.924 20 30 GHEDRP CCCC[N@H+](C[C@@H](O)COc1ccccc1C#N)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001473683255 1074085124 /nfs/dbraw/zinc/08/51/24/1074085124.db2.gz MMFGSJREOGVXFQ-HXUWFJFHSA-N 2 0 387.568 3.709 20 30 GHEDRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)CC1 ZINC000329376872 834937060 /nfs/dbraw/zinc/93/70/60/834937060.db2.gz OKALLWROHSXPIX-UHFFFAOYSA-N 2 0 386.515 3.927 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000159252702 835782975 /nfs/dbraw/zinc/78/29/75/835782975.db2.gz OWOFAFXHMPEPRT-OFNKIYASSA-N 2 0 398.595 3.721 20 30 GHEDRP N#CCCCOc1cccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000180796057 836276324 /nfs/dbraw/zinc/27/63/24/836276324.db2.gz VRZXRPJPELREOP-UHFFFAOYSA-N 2 0 385.552 3.694 20 30 GHEDRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180053361 836963847 /nfs/dbraw/zinc/96/38/47/836963847.db2.gz NYFVRTHODNCAPC-OALUTQOASA-N 2 0 379.552 3.806 20 30 GHEDRP C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000376729480 838647218 /nfs/dbraw/zinc/64/72/18/838647218.db2.gz QGFLVYDWTYWUQK-GOSISDBHSA-N 2 0 379.504 3.740 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1OCC ZINC000414914200 838978619 /nfs/dbraw/zinc/97/86/19/838978619.db2.gz XNLCDBDSSMRWHC-LJQANCHMSA-N 2 0 397.357 3.892 20 30 GHEDRP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123564830 841920820 /nfs/dbraw/zinc/92/08/20/841920820.db2.gz XEHZJVINJSRWAL-GOSISDBHSA-N 2 0 388.531 3.515 20 30 GHEDRP C#CC[NH+]1CCC(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)CC1 ZINC000843693822 843162521 /nfs/dbraw/zinc/16/25/21/843162521.db2.gz PGNMDDISTZEFLX-UHFFFAOYSA-N 2 0 385.577 3.548 20 30 GHEDRP C=C(C)COc1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)ccc1OC ZINC000512426896 843767235 /nfs/dbraw/zinc/76/72/35/843767235.db2.gz JLKJSJXPEMMJPX-UHFFFAOYSA-N 2 0 388.552 3.584 20 30 GHEDRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C(=O)NC1(C#N)CCCCC1 ZINC000604045318 861656404 /nfs/dbraw/zinc/65/64/04/861656404.db2.gz OQINEHXDYBICAD-VQTJNVASSA-N 2 0 396.579 3.882 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1OC ZINC000414852854 849744001 /nfs/dbraw/zinc/74/40/01/849744001.db2.gz QRIQRQJDXWLGPJ-CQSZACIVSA-N 2 0 383.330 3.502 20 30 GHEDRP C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](CC)CC3)c(F)c2)cc1 ZINC000765852570 855663677 /nfs/dbraw/zinc/66/36/77/855663677.db2.gz NDQQWBPDKCGHDZ-IBGZPJMESA-N 2 0 395.522 3.830 20 30 GHEDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000057844132 855738523 /nfs/dbraw/zinc/73/85/23/855738523.db2.gz RQNBSIKRVQBJNT-UHFFFAOYSA-N 2 0 390.531 3.731 20 30 GHEDRP N#Cc1ccccc1CSCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000591570974 856156989 /nfs/dbraw/zinc/15/69/89/856156989.db2.gz MWMUWKRTVSNJHZ-RBBKRZOGSA-N 2 0 379.529 3.637 20 30 GHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000765941984 856652128 /nfs/dbraw/zinc/65/21/28/856652128.db2.gz ICTMACOTCOANPW-HKUYNNGSSA-N 2 0 377.960 3.637 20 30 GHEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000595066808 858369701 /nfs/dbraw/zinc/36/97/01/858369701.db2.gz FGLUBOWJUYRWKP-UPVQGACJSA-N 2 0 375.516 3.682 20 30 GHEDRP CCC[NH+]1CCC(Nc2cc(C)nc(NC3CC[NH+](CCC)CC3)c2C#N)CC1 ZINC000596061741 858768246 /nfs/dbraw/zinc/76/82/46/858768246.db2.gz JMGVPEWBKZWPMG-UHFFFAOYSA-N 2 0 398.599 3.834 20 30 GHEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000611393309 859734912 /nfs/dbraw/zinc/73/49/12/859734912.db2.gz BRUBPSXSUJHEKI-DEOSSOPVSA-N 2 0 375.516 3.682 20 30 GHEDRP Cc1cc[n+](C(C(=O)c2ccccc2C)C(=S)NCC(C)(C)C[NH+](C)C)cc1 ZINC000170715466 860613155 /nfs/dbraw/zinc/61/31/55/860613155.db2.gz YZPFDACOGHMVBE-UHFFFAOYSA-O 2 0 398.596 3.707 20 30 GHEDRP N#CC1(c2cccnc2NCC[C@H]2CCC[NH2+]2)CC[NH+](Cc2ccccc2)CC1 ZINC001169558656 871638737 /nfs/dbraw/zinc/63/87/37/871638737.db2.gz LPMSLVLHWNZGJL-OAQYLSRUSA-N 2 0 389.547 3.693 20 30 GHEDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000478031266 872380775 /nfs/dbraw/zinc/38/07/75/872380775.db2.gz GAZUBTBQXFSBOY-LJQANCHMSA-N 2 0 382.552 3.863 20 30 GHEDRP C=CCOc1cccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000536664954 893481801 /nfs/dbraw/zinc/48/18/01/893481801.db2.gz ZCJIXJOPIVRQBM-UHFFFAOYSA-N 2 0 385.596 3.880 20 30 GHEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000571468836 899878086 /nfs/dbraw/zinc/87/80/86/899878086.db2.gz SMMKHLMPXYNCTM-ISKFKSNPSA-N 2 0 375.516 3.682 20 30 GHEDRP COc1ccc(NC(=[NH2+])NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000104162901 904546400 /nfs/dbraw/zinc/54/64/00/904546400.db2.gz RKJRSOIOOKRBRU-KRWDZBQOSA-N 2 0 396.535 3.863 20 30 GHEDRP COC(=O)[C@@H]1CCC[C@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172780855 905820604 /nfs/dbraw/zinc/82/06/04/905820604.db2.gz KQXQBHNQMAUELL-YUMYIRISSA-N 2 0 383.536 3.752 20 30 GHEDRP CC[N@@H+]1CC[C@@H](NC(=[NH2+])c2cc3ccc(OC(=O)c4cccs4)cc3s2)C1 ZINC001173356083 906393262 /nfs/dbraw/zinc/39/32/62/906393262.db2.gz ASPJFPIHPGPFEG-CQSZACIVSA-N 2 0 399.541 3.982 20 30 GHEDRP CCC(CC)[NH+]1CCC(C[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001173428531 906465265 /nfs/dbraw/zinc/46/52/65/906465265.db2.gz QGCCKOKWQYIRBW-UHFFFAOYSA-N 2 0 396.579 3.653 20 30 GHEDRP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173434820 906470269 /nfs/dbraw/zinc/47/02/69/906470269.db2.gz QZHQMXIXAIYMEC-GOTSBHOMSA-N 2 0 394.563 3.502 20 30 GHEDRP C[C@H](C#N)Oc1ccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000374282169 926974598 /nfs/dbraw/zinc/97/45/98/926974598.db2.gz CROAHASNGHFHSZ-HXUWFJFHSA-N 2 0 398.595 3.606 20 30 GHEDRP C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H]1CCCC[N@H+]1C(C)C ZINC000412987596 928075903 /nfs/dbraw/zinc/07/59/03/928075903.db2.gz KKYQZRONEMJNMF-IBGZPJMESA-N 2 0 391.629 3.848 20 30 GHEDRP COc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c(C#N)c1 ZINC001137706914 935736856 /nfs/dbraw/zinc/73/68/56/935736856.db2.gz WKIGGQLJPCNWIP-FCHUYYIVSA-N 2 0 375.516 3.911 20 30 GHEDRP C[NH+]1CCN(c2ccc(Nc3ccc(C[NH+]4CCCC4)cc3)cc2C#N)CC1 ZINC001203807312 1027622104 /nfs/dbraw/zinc/62/21/04/1027622104.db2.gz NDNLZQWVYLPQSV-UHFFFAOYSA-N 2 0 375.520 3.649 20 30 GHEDRP N#Cc1cc(Cl)nc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)c1 ZINC001159460306 1034605528 /nfs/dbraw/zinc/60/55/28/1034605528.db2.gz RXHZOLDYPRVEKX-UHFFFAOYSA-N 2 0 379.895 3.516 20 30 GHEDRP CCC[NH+](CCC)CCCN1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC001231821928 1034929549 /nfs/dbraw/zinc/92/95/49/1034929549.db2.gz OKQOGAJUABOQKP-UHFFFAOYSA-N 2 0 399.627 3.666 20 30 GHEDRP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208949877 1035120774 /nfs/dbraw/zinc/12/07/74/1035120774.db2.gz ZHVQYHSYSAGSRK-LADGPHEKSA-N 2 0 397.563 3.619 20 30 GHEDRP N#CC1(c2ccccc2-c2ccc(COC3CC[NH2+]CC3)cc2)CC[NH2+]CC1 ZINC001245408631 1036911372 /nfs/dbraw/zinc/91/13/72/1036911372.db2.gz BDOKHKONNLOMNT-UHFFFAOYSA-N 2 0 375.516 3.767 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]C1CC[NH2+]CC1 ZINC001245973039 1037097209 /nfs/dbraw/zinc/09/72/09/1037097209.db2.gz GJCGHRXGXCQOGJ-JOCHJYFZSA-N 2 0 386.621 3.643 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+][C@@H]1CC[C@H]([NH3+])C1 ZINC001245998996 1037118642 /nfs/dbraw/zinc/11/86/42/1037118642.db2.gz CYGDFACNOFAUBS-BDTNDASRSA-N 2 0 386.621 3.771 20 30 GHEDRP C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CC[NH2+][C@@H](Cc3ccccc3)C1)[C@H]2CC ZINC001246703032 1037555964 /nfs/dbraw/zinc/55/59/64/1037555964.db2.gz HPLXBNSQGGEXKK-AANQFLQQSA-N 2 0 395.591 3.771 20 30 GHEDRP COc1ccc(C[N@H+]([C@H](C)Cc2cccc(C#N)c2)C2CC[NH2+]CC2)cc1F ZINC001246957525 1037772807 /nfs/dbraw/zinc/77/28/07/1037772807.db2.gz BKSFPUVOSANCOH-QGZVFWFLSA-N 2 0 381.495 3.891 20 30 GHEDRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](Cc1ccc(C#N)s1)CC2 ZINC001232842379 1038592084 /nfs/dbraw/zinc/59/20/84/1038592084.db2.gz BHWBTQVZFOAYMS-IBGZPJMESA-N 2 0 396.560 3.518 20 30 GHEDRP CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001252126253 1038875159 /nfs/dbraw/zinc/87/51/59/1038875159.db2.gz OIAGCGCIMYLOOV-ZRBLBEILSA-N 2 0 380.617 3.778 20 30 GHEDRP N#CC1(c2ccc(F)cc2)CCC([NH+]2CCC([NH3+])(Cc3cccnc3)CC2)CC1 ZINC001254351369 1040184454 /nfs/dbraw/zinc/18/44/54/1040184454.db2.gz XXDMMBUQBSYMDZ-UHFFFAOYSA-N 2 0 392.522 3.961 20 30 GHEDRP CSc1nc(C[N@@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)ccc1C#N ZINC001236382059 1041691668 /nfs/dbraw/zinc/69/16/68/1041691668.db2.gz NRFGBCNWOMPGBQ-UHFFFAOYSA-N 2 0 384.524 3.816 20 30 GHEDRP C=CCOC(=O)N1CCC2(C[NH+](Cc3ccc4c(c3)C(C(C)C)=[NH+]CC4)C2)CC1 ZINC001237881874 1042408094 /nfs/dbraw/zinc/40/80/94/1042408094.db2.gz YDBOBJMCZBKKIE-UHFFFAOYSA-N 2 0 395.547 3.908 20 30 GHEDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001308487594 1049987607 /nfs/dbraw/zinc/98/76/07/1049987607.db2.gz CWGXVNPZLLJORZ-AUSIDOKSSA-N 2 0 399.542 3.816 20 30 GHEDRP N#Cc1ccccc1OCCN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001459653143 1064154989 /nfs/dbraw/zinc/15/49/89/1064154989.db2.gz HCBWIELHQGNDHY-PKTZIBPZSA-N 2 0 375.516 3.924 20 30 GHEDRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000161772103 834670767 /nfs/dbraw/zinc/67/07/67/834670767.db2.gz HMQZYMOPBAYYKC-AVRDEDQJSA-N 2 0 381.568 3.555 20 30 GHEDRP CCCC[N@H+](C)CC1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000179932023 836385346 /nfs/dbraw/zinc/38/53/46/836385346.db2.gz RVUOWQNYMVTKNS-UHFFFAOYSA-N 2 0 379.552 3.903 20 30 GHEDRP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c2ccccc2)CC1 ZINC000579905660 837186903 /nfs/dbraw/zinc/18/69/03/837186903.db2.gz RQECPDHKFHKAJC-RPBOFIJWSA-N 2 0 388.559 3.904 20 30 GHEDRP C[NH+](C)CCOc1ccccc1N1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC001167880817 843190546 /nfs/dbraw/zinc/19/05/46/843190546.db2.gz GUBYNVZWHXQQCN-UHFFFAOYSA-N 2 0 384.568 3.613 20 30 GHEDRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000329492708 861537240 /nfs/dbraw/zinc/53/72/40/861537240.db2.gz WGGIGFFBKSWRKR-UDEWTMQYSA-N 2 0 393.535 3.699 20 30 GHEDRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000052210235 849404055 /nfs/dbraw/zinc/40/40/55/849404055.db2.gz JKLLHJOCKSSKFZ-UHFFFAOYSA-N 2 0 398.595 3.994 20 30 GHEDRP C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000732230789 862162561 /nfs/dbraw/zinc/16/25/61/862162561.db2.gz TTWVDYLCTCZVPC-LJQANCHMSA-N 2 0 379.504 3.742 20 30 GHEDRP COc1ccc(NC(=[NH2+])NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000262014803 851149321 /nfs/dbraw/zinc/14/93/21/851149321.db2.gz KQYUNIWOINDCLE-KUHUBIRLSA-N 2 0 390.890 3.907 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000171710838 856238733 /nfs/dbraw/zinc/23/87/33/856238733.db2.gz ABFPUIATRAGDKL-PMACEKPBSA-N 2 0 398.595 3.614 20 30 GHEDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485443101 856554053 /nfs/dbraw/zinc/55/40/53/856554053.db2.gz ZISZQEZBGMGLMF-HSZRJFAPSA-N 2 0 390.531 3.685 20 30 GHEDRP C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2CN2CC[NH+](CC)CC2)cc1 ZINC000765013123 859727855 /nfs/dbraw/zinc/72/78/55/859727855.db2.gz YZKSSOJALXQKOO-OAQYLSRUSA-N 2 0 391.559 3.687 20 30 GHEDRP C#CCOc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)cc1 ZINC000856561883 881468315 /nfs/dbraw/zinc/46/83/15/881468315.db2.gz WVVWACBQWPFQFV-XMMPIXPASA-N 2 0 393.531 3.587 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1OCC ZINC000414911313 864503936 /nfs/dbraw/zinc/50/39/36/864503936.db2.gz DUFYHHHRQBDHAT-GJZGRUSLSA-N 2 0 383.330 3.772 20 30 GHEDRP N#Cc1ccc(C(F)(F)F)c(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000475348118 864826448 /nfs/dbraw/zinc/82/64/48/864826448.db2.gz BOCRRLFLNBZKFI-UHFFFAOYSA-N 2 0 389.425 3.596 20 30 GHEDRP COc1cc(C[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)ccc1C#N ZINC000440833471 868818870 /nfs/dbraw/zinc/81/88/70/868818870.db2.gz RVEXZQPSFLBNJG-UHFFFAOYSA-N 2 0 392.547 3.567 20 30 GHEDRP [NH2+]=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000262806689 882242136 /nfs/dbraw/zinc/24/21/36/882242136.db2.gz NNJYJZPVGUAFQB-LEWJYISDSA-N 2 0 382.939 3.765 20 30 GHEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000617584306 870466425 /nfs/dbraw/zinc/46/64/25/870466425.db2.gz SXVXAVHEFTUCSI-VWNXMTODSA-N 2 0 375.516 3.816 20 30 GHEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000617584304 870466955 /nfs/dbraw/zinc/46/69/55/870466955.db2.gz SXVXAVHEFTUCSI-LADGPHEKSA-N 2 0 375.516 3.816 20 30 GHEDRP CC[C@@H]([NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1)c1ccc(C#N)cc1 ZINC000447543235 871814055 /nfs/dbraw/zinc/81/40/55/871814055.db2.gz LFPKUFPYHUQODR-XMMPIXPASA-N 2 0 376.548 3.937 20 30 GHEDRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000447586259 871888531 /nfs/dbraw/zinc/88/85/31/871888531.db2.gz LWFDOUDHSJZMGD-HSZRJFAPSA-N 2 0 390.531 3.625 20 30 GHEDRP C#CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000182238608 872063671 /nfs/dbraw/zinc/06/36/71/872063671.db2.gz NPGFXJAYIHHSSJ-WMZHIEFXSA-N 2 0 378.516 3.506 20 30 GHEDRP C[C@@H]1C[NH+](CCC2CC[NH+](CCCOc3cccc(C#N)c3)CC2)C[C@@H](C)O1 ZINC000477303581 877403687 /nfs/dbraw/zinc/40/36/87/877403687.db2.gz PLERVQCWNUAJBS-WOJBJXKFSA-N 2 0 385.552 3.538 20 30 GHEDRP COc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1OC ZINC000304794421 878732350 /nfs/dbraw/zinc/73/23/50/878732350.db2.gz LYHKBRHCOIAEBN-LIRRHRJNSA-N 2 0 388.537 3.575 20 30 GHEDRP Cc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)cc1C#N ZINC000859362961 883774587 /nfs/dbraw/zinc/77/45/87/883774587.db2.gz CNIUMPDHXNZFFU-HSZRJFAPSA-N 2 0 378.520 3.755 20 30 GHEDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000103143146 884783646 /nfs/dbraw/zinc/78/36/46/884783646.db2.gz ZICRJLMORXVYMS-UHFFFAOYSA-N 2 0 396.560 3.792 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)CC1 ZINC000118545856 886254731 /nfs/dbraw/zinc/25/47/31/886254731.db2.gz MTFAUVUZXYEYLF-UHFFFAOYSA-N 2 0 388.556 3.569 20 30 GHEDRP CO[C@@H]1CCC[NH+](Cc2cc(C#N)cc(C[N@H+]3CCC[C@H](OC)CC3)c2)CC1 ZINC000878401038 894261857 /nfs/dbraw/zinc/26/18/57/894261857.db2.gz KOZSRQJAAKGYSH-ZRZAMGCNSA-N 2 0 385.552 3.560 20 30 GHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132565938 897831547 /nfs/dbraw/zinc/83/15/47/897831547.db2.gz FMDJHGCPEVNQPL-RXVVDRJESA-N 2 0 379.976 3.741 20 30 GHEDRP CC(C)[NH+]1CCC([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000331495421 898939134 /nfs/dbraw/zinc/93/91/34/898939134.db2.gz YYDBHOMOCLGNES-UHFFFAOYSA-N 2 0 388.581 3.632 20 30 GHEDRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1C#N ZINC001172967298 906027436 /nfs/dbraw/zinc/02/74/36/906027436.db2.gz IEJXKMHNTLWGEK-SFTDATJTSA-N 2 0 398.551 3.664 20 30 GHEDRP C=CCOC1CCC([NH+]2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)CC1 ZINC001173322301 906372207 /nfs/dbraw/zinc/37/22/07/906372207.db2.gz BSYHKLGHNWUNGZ-UHFFFAOYSA-N 2 0 390.593 3.929 20 30 GHEDRP C=CCOC1CCC([NH+]2CCC3(CC2)COCC[N@H+](Cc2cccnc2)C3)CC1 ZINC001173319974 906391026 /nfs/dbraw/zinc/39/10/26/906391026.db2.gz CGMUABSLQKQPMB-UHFFFAOYSA-N 2 0 399.579 3.510 20 30 GHEDRP COc1ccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1OCCCC#N ZINC000180275449 906735312 /nfs/dbraw/zinc/73/53/12/906735312.db2.gz NOZCJPDKBRBKME-UHFFFAOYSA-N 2 0 394.519 3.779 20 30 GHEDRP C=C(C)COc1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)ccc1OC ZINC001179453896 909535590 /nfs/dbraw/zinc/53/55/90/909535590.db2.gz RXRNXNKRGVQBBP-UHFFFAOYSA-N 2 0 395.547 3.692 20 30 GHEDRP C#C[C@@H]([NH2+]C1CCC(C)([NH+]2CCOCC2)CC1)c1ccc(Br)cc1 ZINC001182034059 911137974 /nfs/dbraw/zinc/13/79/74/911137974.db2.gz SHRCAORABXWYLJ-IOJLRTSASA-N 2 0 391.353 3.747 20 30 GHEDRP COc1ccc(NC(=[NH2+])NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1OC ZINC000303776115 915122343 /nfs/dbraw/zinc/12/23/43/915122343.db2.gz HLLGIGJKMBIVAZ-UHFFFAOYSA-N 2 0 396.535 3.863 20 30 GHEDRP Cc1ccc(NC(=[NH2+])NCCCC[NH+]2CCN(c3ccccc3)CC2)cc1C ZINC000303883842 915296986 /nfs/dbraw/zinc/29/69/86/915296986.db2.gz IUKQZYACYUTDLJ-UHFFFAOYSA-N 2 0 379.552 3.632 20 30 GHEDRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)cc1 ZINC000304473353 915516873 /nfs/dbraw/zinc/51/68/73/915516873.db2.gz FZUPUOYTYGJXKV-PGRDOPGGSA-N 2 0 392.547 3.989 20 30 GHEDRP N#Cc1ccc(CN2CCC([NH2+][C@H](c3ccccc3)[C@@H]3CCOC3)CC2)cc1 ZINC000362043286 917049815 /nfs/dbraw/zinc/04/98/15/917049815.db2.gz WNYICQLYAAUPTG-ISKFKSNPSA-N 2 0 375.516 3.890 20 30 GHEDRP Cc1cc(CC#N)ccc1NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162941665 1025978771 /nfs/dbraw/zinc/97/87/71/1025978771.db2.gz YQXIMIXQMDUKSW-QHCPKHFHSA-N 2 0 388.559 3.975 20 30 GHEDRP COc1cc(C[NH+]2CCC(C#Cc3ccccc3)CC2)cc(C[NH+](C)C)c1O ZINC001139261008 1026109589 /nfs/dbraw/zinc/10/95/89/1026109589.db2.gz RTRULYGZGSNAGL-UHFFFAOYSA-N 2 0 378.516 3.726 20 30 GHEDRP C=CC[N@H+]1CCc2c(Cl)c(O[C@H]3CC[NH2+]C3)c(O)cc2[C@H](c2ccccc2)C1 ZINC001218182719 1030810895 /nfs/dbraw/zinc/81/08/95/1030810895.db2.gz ZVZPYQSGKQKQMF-PXNSSMCTSA-N 2 0 398.934 3.962 20 30 GHEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001160421638 1034968553 /nfs/dbraw/zinc/96/85/53/1034968553.db2.gz COEXUPZQBKEFDP-FCJDFRRUSA-N 2 0 398.595 3.604 20 30 GHEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC001160901675 1035090105 /nfs/dbraw/zinc/09/01/05/1035090105.db2.gz DVUDMPSIEPRKDM-JFDBCFPISA-N 2 0 385.596 3.872 20 30 GHEDRP N#Cc1ccc(O[C@@H]2CCC[N@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001208956566 1035129758 /nfs/dbraw/zinc/12/97/58/1035129758.db2.gz BPJQGTGNHICVFS-LADGPHEKSA-N 2 0 375.516 3.924 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]CC(C)(C)C[NH3+] ZINC001246007294 1037127970 /nfs/dbraw/zinc/12/79/70/1037127970.db2.gz ZGUVPKSRKQWXTB-OAQYLSRUSA-N 2 0 388.637 3.876 20 30 GHEDRP COc1ccc2c(c1)C1(C[C@H]2[NH2+][C@H](C)Cc2cccc(C#N)c2)CC[NH2+]CC1 ZINC001246127692 1037206855 /nfs/dbraw/zinc/20/68/55/1037206855.db2.gz OWRVMZGZJYCWJX-UZUQRXQVSA-N 2 0 375.516 3.854 20 30 GHEDRP C=CCOC(=O)N1CCC2(CCC[N@@H+](C3CCC4(CCC[NH2+]C4)CC3)C2)CC1 ZINC001246527162 1037459693 /nfs/dbraw/zinc/45/96/93/1037459693.db2.gz SOBHQVAICWVKQF-UHFFFAOYSA-N 2 0 389.584 3.799 20 30 GHEDRP CCCCCCCCCC[C@H](O)CN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001252983694 1039313081 /nfs/dbraw/zinc/31/30/81/1039313081.db2.gz YJFREBIUBOLVKV-QHCPKHFHSA-N 2 0 381.649 3.838 20 30 GHEDRP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H]1CCC[N@H+](Cc3ccccc3)CC1)C2 ZINC001255382576 1040972899 /nfs/dbraw/zinc/97/28/99/1040972899.db2.gz DHLMFBHSWRABGZ-DHIUTWEWSA-N 2 0 391.559 3.536 20 30 GHEDRP N#Cc1ccc(Oc2ccc(C[NH+]3CCC(C4CC[NH2+]CC4)CC3)cn2)cc1 ZINC001235702393 1041183115 /nfs/dbraw/zinc/18/31/15/1041183115.db2.gz UFWJSKJPDDTCJV-UHFFFAOYSA-N 2 0 376.504 3.957 20 30 GHEDRP C=CCOC(=O)N1CCC2(CCC[NH+](C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)CC1 ZINC001255674192 1041205237 /nfs/dbraw/zinc/20/52/37/1041205237.db2.gz MRGPYEJJHHRQMV-YOFSQIOKSA-N 2 0 375.557 3.502 20 30 GHEDRP N#Cc1cccc(O[C@H]2CCC[N@H+](Cc3cn4c5c3cccc5C[NH2+]CC4)C2)c1 ZINC001235968154 1041472984 /nfs/dbraw/zinc/47/29/84/1041472984.db2.gz FBKWUVKUOFQUPY-QFIPXVFZSA-N 2 0 386.499 3.660 20 30 GHEDRP C[NH+]1CCC(N(Cc2ccccc2C#Cc2ccccc2)C2CC[NH2+]CC2)CC1 ZINC001237039944 1042000953 /nfs/dbraw/zinc/00/09/53/1042000953.db2.gz ZJSFXTIMKHPWJC-UHFFFAOYSA-N 2 0 387.571 3.735 20 30 GHEDRP N#CC1(c2cccnc2-c2cncc(C[NH3+])c2)CC[NH+](Cc2ccccc2)CC1 ZINC001239787450 1042851011 /nfs/dbraw/zinc/85/10/11/1042851011.db2.gz ZQFWGLXJLSXXDS-UHFFFAOYSA-N 2 0 383.499 3.660 20 30 GHEDRP C=CCOC(=O)N1CCC2(CCC[N@@H+](C3CCN(c4cc[nH+]cc4)CC3)C2)CC1 ZINC001256855003 1043703561 /nfs/dbraw/zinc/70/35/61/1043703561.db2.gz CTGWBDDRCDXNMJ-UHFFFAOYSA-N 2 0 398.551 3.551 20 30 GHEDRP C/C(N[C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001258554345 1044634048 /nfs/dbraw/zinc/63/40/48/1044634048.db2.gz NGVJLIBDDXWITB-LJQANCHMSA-N 2 0 388.556 3.831 20 30 GHEDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278685338 835790614 /nfs/dbraw/zinc/79/06/14/835790614.db2.gz PHWFSQCBRATGCG-IBGZPJMESA-N 2 0 380.540 3.603 20 30 GHEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1CCC(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000328696713 838687904 /nfs/dbraw/zinc/68/79/04/838687904.db2.gz UJGKKTQKDGIHAF-GTUQPRBKSA-N 2 0 392.588 3.956 20 30 GHEDRP C(#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1)C[NH+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661876462 842273810 /nfs/dbraw/zinc/27/38/10/842273810.db2.gz UDWIFJJOGNOQJQ-ZJZGAYNASA-N 2 0 388.596 3.552 20 30 GHEDRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC001167836393 842330963 /nfs/dbraw/zinc/33/09/63/842330963.db2.gz ZGJMGLLPEHXZHF-GOSISDBHSA-N 2 0 385.556 3.655 20 30 GHEDRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000329492709 861537554 /nfs/dbraw/zinc/53/75/54/861537554.db2.gz WGGIGFFBKSWRKR-WVVQBRDUSA-N 2 0 393.535 3.699 20 30 GHEDRP N#Cc1ccccc1OCC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433072537 845165637 /nfs/dbraw/zinc/16/56/37/845165637.db2.gz CACVFDGKVYPIMR-UHFFFAOYSA-N 2 0 375.516 3.925 20 30 GHEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000611622465 847600075 /nfs/dbraw/zinc/60/00/75/847600075.db2.gz JVQHVQDIGBPYPE-VWNXMTODSA-N 2 0 375.516 3.682 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000518004776 852723776 /nfs/dbraw/zinc/72/37/76/852723776.db2.gz XBXXFTKAHUZBBJ-UHFFFAOYSA-N 2 0 384.568 3.877 20 30 GHEDRP C[NH+](C)CCCOc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1 ZINC000556049303 862494831 /nfs/dbraw/zinc/49/48/31/862494831.db2.gz UXEXIPJBTHCMOS-UHFFFAOYSA-N 2 0 392.547 3.647 20 30 GHEDRP N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000192923495 863222143 /nfs/dbraw/zinc/22/21/43/863222143.db2.gz WHIPDDCVVFCCKO-XMMPIXPASA-N 2 0 388.559 3.634 20 30 GHEDRP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1)CC(C)C ZINC001192489085 870462776 /nfs/dbraw/zinc/46/27/76/870462776.db2.gz ADSBQLORLUNWAV-LJQANCHMSA-N 2 0 384.568 3.965 20 30 GHEDRP C[NH+](C)CCOc1cc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)ccn1 ZINC000540139467 870616477 /nfs/dbraw/zinc/61/64/77/870616477.db2.gz QGKXWXSWKXOMPQ-UHFFFAOYSA-N 2 0 378.520 3.516 20 30 GHEDRP CC[C@H]([NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1)c1ccc(C#N)cc1 ZINC000447546430 871819191 /nfs/dbraw/zinc/81/91/91/871819191.db2.gz VVHXWESSWXWQEF-DEOSSOPVSA-N 2 0 376.548 3.937 20 30 GHEDRP C[C@@H]1CCCC[N@@H+]1CCC1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000478047341 872417038 /nfs/dbraw/zinc/41/70/38/872417038.db2.gz PYPXKTYRSJHJCW-XXBNENTESA-N 2 0 394.563 3.640 20 30 GHEDRP CCCCCCCCC[NH+]1CCC(N2CCC([NH+]3CCN(C)CC3)CC2)CC1 ZINC001201853015 875887977 /nfs/dbraw/zinc/88/79/77/875887977.db2.gz XZRNDYKFWGOPDJ-UHFFFAOYSA-N 2 0 392.676 3.913 20 30 GHEDRP C[C@H](Cc1ccc(O)cc1)[NH+](C)CC#CC[N@@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000551699458 877664375 /nfs/dbraw/zinc/66/43/75/877664375.db2.gz CJRFWPYTCYBWDE-WOJBJXKFSA-N 2 0 380.532 3.527 20 30 GHEDRP N#CCc1cccc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)c1F ZINC001170527838 885563748 /nfs/dbraw/zinc/56/37/48/885563748.db2.gz DTIYZGMQRRGEAS-UHFFFAOYSA-N 2 0 376.479 3.801 20 30 GHEDRP N#Cc1ccccc1N1CCC([NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000865695096 888519385 /nfs/dbraw/zinc/51/93/85/888519385.db2.gz LSMFWTCBSGGYLD-UHFFFAOYSA-N 2 0 388.559 3.824 20 30 GHEDRP CC(C)(C)OC(=O)N1CC[NH+](C2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)CC1 ZINC000812802224 890996888 /nfs/dbraw/zinc/99/68/88/890996888.db2.gz DJVMNRAJSREHGJ-UHFFFAOYSA-N 2 0 398.551 3.512 20 30 GHEDRP C=CCOc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000536664140 893478240 /nfs/dbraw/zinc/47/82/40/893478240.db2.gz FSTHPZVYZLPQSD-UHFFFAOYSA-N 2 0 385.596 3.880 20 30 GHEDRP COC(=O)[C@@H]1CCC[C@@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172780849 905820509 /nfs/dbraw/zinc/82/05/09/905820509.db2.gz KQXQBHNQMAUELL-GXRSIYKFSA-N 2 0 383.536 3.752 20 30 GHEDRP CC(C)(C)C[NH+]1CCC(C[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001173428022 906464902 /nfs/dbraw/zinc/46/49/02/906464902.db2.gz KCOQQTKWVYHWGQ-UHFFFAOYSA-N 2 0 396.579 3.511 20 30 GHEDRP CCOC(=O)C[C@H]1CC[C@@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173633937 906585795 /nfs/dbraw/zinc/58/57/95/906585795.db2.gz SNWILGZSFPMAPC-AGOPTVSRSA-N 2 0 383.536 3.752 20 30 GHEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3ccc(OCC#N)cc3)cc2)CC1 ZINC000181518355 907018544 /nfs/dbraw/zinc/01/85/44/907018544.db2.gz YFSRAKFATADDHS-HXUWFJFHSA-N 2 0 392.547 3.577 20 30 GHEDRP C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183198420 907348666 /nfs/dbraw/zinc/34/86/66/907348666.db2.gz XYBBKPSPBFESEH-DENIHFKCSA-N 2 0 380.580 3.765 20 30 GHEDRP N#CCCn1cc(CN2CCC([NH+]3CCCCC3)CC2)c(-c2ccccc2)n1 ZINC000271052324 910768424 /nfs/dbraw/zinc/76/84/24/910768424.db2.gz WTXAQFNSECTMJM-UHFFFAOYSA-N 2 0 377.536 3.914 20 30 GHEDRP N#CC1(c2ccccc2)CCC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000271481420 910922420 /nfs/dbraw/zinc/92/24/20/910922420.db2.gz JCYOQKITMJCORW-LQBIAYRMSA-N 2 0 381.564 3.748 20 30 GHEDRP [NH2+]=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N[C@H]1CCOc2ccccc21 ZINC000304490710 915525214 /nfs/dbraw/zinc/52/52/14/915525214.db2.gz LRILUFOIYQQQHC-QFIPXVFZSA-N 2 0 392.547 3.991 20 30 GHEDRP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000926606328 932245026 /nfs/dbraw/zinc/24/50/26/932245026.db2.gz JCGDLYPKCYAOQG-LMDPOFIKSA-N 2 0 392.588 3.768 20 30 GHEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1CCC([NH3+])(c2cccc(C(F)(F)F)c2)CC1 ZINC001221089180 1032280918 /nfs/dbraw/zinc/28/09/18/1032280918.db2.gz LERWJUVSIZNXOI-SFHVURJKSA-N 2 0 397.485 3.946 20 30 GHEDRP N#Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c([N+](=O)[O-])c1 ZINC000567994907 1019366740 /nfs/dbraw/zinc/36/67/40/1019366740.db2.gz XVVSAVUJFCQRTB-UHFFFAOYSA-N 2 0 390.487 3.955 20 30 GHEDRP N#Cc1ccc(C[NH+]2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)cn1 ZINC001140546792 1021946577 /nfs/dbraw/zinc/94/65/77/1021946577.db2.gz VKHHUHDDGCKRDN-UHFFFAOYSA-N 2 0 390.531 3.599 20 30 GHEDRP C[NH+](C)CCOc1ccc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)cc1 ZINC001138772073 1025342437 /nfs/dbraw/zinc/34/24/37/1025342437.db2.gz FZSGCWIGMNIQPB-UHFFFAOYSA-N 2 0 377.532 3.953 20 30 GHEDRP N#CC1(c2cccnc2N[C@H]2CCC[C@@H]([NH3+])C2)CC[NH+](Cc2ccccc2)CC1 ZINC001162390038 1025733626 /nfs/dbraw/zinc/73/36/26/1025733626.db2.gz BOXWCEIKZPHEIW-RTWAWAEBSA-N 2 0 389.547 3.821 20 30 GHEDRP N#Cc1ccnc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1Cl ZINC001162933655 1025971502 /nfs/dbraw/zinc/97/15/02/1025971502.db2.gz QDHRXXFJRBBQCC-LJQANCHMSA-N 2 0 395.938 3.520 20 30 GHEDRP N#CCc1cccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1F ZINC001162935541 1025972527 /nfs/dbraw/zinc/97/25/27/1025972527.db2.gz RZJHHIJDBVJAEX-OAQYLSRUSA-N 2 0 392.522 3.805 20 30 GHEDRP C[C@@H](C[NH+](C)C)Nc1ncccc1C1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001163774474 1026312389 /nfs/dbraw/zinc/31/23/89/1026312389.db2.gz ZACWZJONBWYFLY-IBGZPJMESA-N 2 0 377.536 3.501 20 30 GHEDRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC(Cc4ccc(C#N)cc4)CC3)c2)CC1 ZINC001165080122 1026591564 /nfs/dbraw/zinc/59/15/64/1026591564.db2.gz GBVJJRSUQPLOSO-UHFFFAOYSA-N 2 0 390.531 3.885 20 30 GHEDRP N#Cc1sc(-c2ccc(F)cc2)cc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210261533 1027411913 /nfs/dbraw/zinc/41/19/13/1027411913.db2.gz APFZZCIXZRTYAP-UHFFFAOYSA-N 2 0 379.464 3.974 20 30 GHEDRP N#Cc1ccc(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cc1 ZINC001222573603 1030206181 /nfs/dbraw/zinc/20/61/81/1030206181.db2.gz BTSUJBULSMWBAU-QHCPKHFHSA-N 2 0 375.516 3.862 20 30 GHEDRP N#Cc1c(NC(=O)C[C@@H]([NH3+])c2cccc(Cl)c2Cl)sc2c1CC[NH2+]C2 ZINC001218554609 1030985226 /nfs/dbraw/zinc/98/52/26/1030985226.db2.gz VACLJWXDVZTOOX-CYBMUJFWSA-N 2 0 395.315 3.601 20 30 GHEDRP Cn1cc(C[NH+]2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)cc1C#N ZINC001207110861 1034096544 /nfs/dbraw/zinc/09/65/44/1034096544.db2.gz VLRHCHSRGDXIDB-UHFFFAOYSA-N 2 0 392.547 3.542 20 30 GHEDRP C=CCOC(=O)[C@@H](N)CCCCNc1ccc([C@H]2CCCC[N@H+]2CCC)cn1 ZINC001159924461 1034787731 /nfs/dbraw/zinc/78/77/31/1034787731.db2.gz RCMAYFFUCLCDRK-VQTJNVASSA-N 2 0 388.556 3.657 20 30 GHEDRP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](CCCc1ccc(C#N)cc1)CC2 ZINC001208860160 1035063623 /nfs/dbraw/zinc/06/36/23/1035063623.db2.gz YRBKZDLXBGYIBE-JOCHJYFZSA-N 2 0 393.531 3.839 20 30 GHEDRP C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](CCc1ccc(C#N)cc1)CC2 ZINC001208922820 1035090030 /nfs/dbraw/zinc/09/00/30/1035090030.db2.gz LGCNYQPNFOWYIL-NRFANRHFSA-N 2 0 395.572 3.918 20 30 GHEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001161058477 1035128599 /nfs/dbraw/zinc/12/85/99/1035128599.db2.gz WCJGAKVGDMPNAY-NRFANRHFSA-N 2 0 375.532 3.712 20 30 GHEDRP [NH2+]=C(NC1CC[NH2+]CC1)c1cc2ccc(OC(=O)c3cccs3)cc2s1 ZINC001246290899 1037279658 /nfs/dbraw/zinc/27/96/58/1037279658.db2.gz DZWMRKHEYRXQNY-UHFFFAOYSA-N 2 0 385.514 3.639 20 30 GHEDRP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3CC[NH2+][C@@H](CCCC)C3)C2)CC1 ZINC001246526769 1037457727 /nfs/dbraw/zinc/45/77/27/1037457727.db2.gz QXGIMMPYRKNDEF-VQTJNVASSA-N 2 0 377.573 3.798 20 30 GHEDRP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+]([C@H]3CC[NH2+]C4(CCCCC4)C3)C2)C1 ZINC001246552037 1037477058 /nfs/dbraw/zinc/47/70/58/1037477058.db2.gz UQBGMJXZTBILTE-PZJWPPBQSA-N 2 0 375.557 3.552 20 30 GHEDRP CCCCCCCCOc1ccc(-c2noc(C34C[NH2+]CC3C[NH2+]C4)n2)cc1 ZINC001247850270 1038424357 /nfs/dbraw/zinc/42/43/57/1038424357.db2.gz JRSSWNXPXFMIEM-UHFFFAOYSA-N 2 0 384.524 3.536 20 30 GHEDRP N#C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC001254651042 1040419605 /nfs/dbraw/zinc/41/96/05/1040419605.db2.gz ZXOHEZXLXZHWMN-IEBWSBKVSA-N 2 0 376.342 3.943 20 30 GHEDRP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](CCCc1cccc(C#N)c1)CC2 ZINC001235020611 1040513158 /nfs/dbraw/zinc/51/31/58/1040513158.db2.gz UIPHEDXHAOHYKC-UHFFFAOYSA-N 2 0 375.516 3.636 20 30 GHEDRP C=CCN1C(=O)CCC12CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC001255143447 1040854848 /nfs/dbraw/zinc/85/48/48/1040854848.db2.gz WKNDHPACGQIQGK-JKHIJQBDSA-N 2 0 393.575 3.825 20 30 GHEDRP C/C(N[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001255234639 1040920221 /nfs/dbraw/zinc/92/02/21/1040920221.db2.gz HXAJIZDMPPUECK-OWZKRDHZSA-N 2 0 386.540 3.584 20 30 GHEDRP C=CCOC(=O)N1CC2(C1)CC[NH+]([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)CC2 ZINC001255398238 1040984305 /nfs/dbraw/zinc/98/43/05/1040984305.db2.gz IXKFUWLFCIMSHM-JOCHJYFZSA-N 2 0 397.563 3.762 20 30 GHEDRP N#CC1(c2ccccc2)CC([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001321633559 1056347451 /nfs/dbraw/zinc/34/74/51/1056347451.db2.gz IGPSPMOBNWLSCI-UHFFFAOYSA-N 2 0 388.559 3.802 20 30 GHEDRP CC1CC[NH+](Cc2ccc(C[NH2+]CCC(=O)Nc3cccc(C#N)c3)cc2)CC1 ZINC001325862871 1057375460 /nfs/dbraw/zinc/37/54/60/1057375460.db2.gz KNRPHXNGSYBPQW-UHFFFAOYSA-N 2 0 390.531 3.909 20 30 GHEDRP N#Cc1cccc(NC(=O)CC[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC001326596056 1057518951 /nfs/dbraw/zinc/51/89/51/1057518951.db2.gz IAWTZJIJWXDICQ-JOCHJYFZSA-N 2 0 390.531 3.779 20 30 GHEDRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000161772231 834656306 /nfs/dbraw/zinc/65/63/06/834656306.db2.gz HMQZYMOPBAYYKC-XMSQKQJNSA-N 2 0 381.568 3.555 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000159252567 835783434 /nfs/dbraw/zinc/78/34/34/835783434.db2.gz OWOFAFXHMPEPRT-NZQKXSOJSA-N 2 0 398.595 3.721 20 30 GHEDRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512655852 844920545 /nfs/dbraw/zinc/92/05/45/844920545.db2.gz WWYOUDDSWQSXRP-IBGZPJMESA-N 2 0 380.511 3.950 20 30 GHEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000611622457 847600030 /nfs/dbraw/zinc/60/00/30/847600030.db2.gz JVQHVQDIGBPYPE-ISKFKSNPSA-N 2 0 375.516 3.682 20 30 GHEDRP C=CCOc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1Cl ZINC000657535130 848108647 /nfs/dbraw/zinc/10/86/47/848108647.db2.gz FZOPDCGJUSUHEH-UHFFFAOYSA-N 2 0 378.944 3.885 20 30 GHEDRP C[NH+]1CCC(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)(N2CCCCC2)CC1 ZINC000481669546 861976501 /nfs/dbraw/zinc/97/65/01/861976501.db2.gz KICQUPAHSDDHJU-QHCPKHFHSA-N 2 0 380.580 3.866 20 30 GHEDRP [NH2+]=C(NCc1csc2ccccc12)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000261973803 853363652 /nfs/dbraw/zinc/36/36/52/853363652.db2.gz FDKDLKYIJNYPMD-UHFFFAOYSA-N 2 0 378.545 3.970 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000414991832 853479729 /nfs/dbraw/zinc/47/97/29/853479729.db2.gz JXPVGJHBZAHFSR-UKRRQHHQSA-N 2 0 383.330 3.630 20 30 GHEDRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000248394523 855074392 /nfs/dbraw/zinc/07/43/92/855074392.db2.gz ICLYIPJMEOCMCU-HROJSSOGSA-N 2 0 390.531 3.633 20 30 GHEDRP C[C@@H]1C[C@H](NC(=O)C(C)(C)CCC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000330185194 862645235 /nfs/dbraw/zinc/64/52/35/862645235.db2.gz RECFXZNPLMDCDD-BRSBDYLESA-N 2 0 380.577 3.671 20 30 GHEDRP Cc1cc(NC2CC[NH+](C(C)C)CC2)c(C#N)c(NC2CC[NH+](C(C)C)CC2)n1 ZINC000596062963 858769680 /nfs/dbraw/zinc/76/96/80/858769680.db2.gz UVCAHVZKXWLTFD-UHFFFAOYSA-N 2 0 398.599 3.831 20 30 GHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)CC1 ZINC000599350403 861090104 /nfs/dbraw/zinc/09/01/04/861090104.db2.gz XLOVIRZSUHLERO-SFHVURJKSA-N 2 0 380.511 3.999 20 30 GHEDRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3CCN(c4ccc(C#N)cn4)CC3)CC2)C1 ZINC000161703248 861178723 /nfs/dbraw/zinc/17/87/23/861178723.db2.gz MTMNCZPTINDVSX-PGRDOPGGSA-N 2 0 381.568 3.555 20 30 GHEDRP C[NH+]=C(NCc1sc(C)nc1C)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000262362139 863249611 /nfs/dbraw/zinc/24/96/11/863249611.db2.gz GZHJCTMWPALSDA-MAUKXSAKSA-N 2 0 391.610 3.570 20 30 GHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)CC1 ZINC000181630265 871293202 /nfs/dbraw/zinc/29/32/02/871293202.db2.gz FVEOUDJJYNXPJP-MRXNPFEDSA-N 2 0 384.474 3.829 20 30 GHEDRP C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000182238634 872064322 /nfs/dbraw/zinc/06/43/22/872064322.db2.gz NPGFXJAYIHHSSJ-AUSIDOKSSA-N 2 0 378.516 3.506 20 30 GHEDRP CC1(C)C[N@H+](C[C@H](O)CC2(C#N)CC2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000528560106 874706062 /nfs/dbraw/zinc/70/60/62/874706062.db2.gz HOEOWJINQUYORO-YADHBBJMSA-N 2 0 381.564 3.664 20 30 GHEDRP COc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1OC ZINC000304794418 878733145 /nfs/dbraw/zinc/73/31/45/878733145.db2.gz LYHKBRHCOIAEBN-KUHUBIRLSA-N 2 0 388.537 3.575 20 30 GHEDRP C=CCC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccco1 ZINC000286178813 912609231 /nfs/dbraw/zinc/60/92/31/912609231.db2.gz QRZUHIQVFSNPBW-RTWAWAEBSA-N 2 0 381.520 3.774 20 30 GHEDRP C[NH+](C)Cc1ccc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000859214195 883667344 /nfs/dbraw/zinc/66/73/44/883667344.db2.gz FUIHWTGQYNMVNL-UHFFFAOYSA-N 2 0 396.560 3.631 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000106275997 885025254 /nfs/dbraw/zinc/02/52/54/885025254.db2.gz QTGKLODPHHHCSK-UHFFFAOYSA-N 2 0 384.568 3.512 20 30 GHEDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)CC1 ZINC000532567518 886115724 /nfs/dbraw/zinc/11/57/24/886115724.db2.gz YDXFSIRDZDSGCM-DEOSSOPVSA-N 2 0 388.559 3.826 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000119568330 886756228 /nfs/dbraw/zinc/75/62/28/886756228.db2.gz RKMWAMLFWZZNGY-FQEVSTJZSA-N 2 0 390.616 3.713 20 30 GHEDRP C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000571657761 899941558 /nfs/dbraw/zinc/94/15/58/899941558.db2.gz BYOOQNPFVNNSJU-OALUTQOASA-N 2 0 391.629 3.563 20 30 GHEDRP COc1ccc(OC)c(NC(=[NH2+])NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)c1 ZINC000104181320 904550417 /nfs/dbraw/zinc/55/04/17/904550417.db2.gz NFNDOXALWLWDSW-HXUWFJFHSA-N 2 0 382.508 3.576 20 30 GHEDRP C=CCc1cc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cc(OC)c1O ZINC000284195641 911787894 /nfs/dbraw/zinc/78/78/94/911787894.db2.gz YOMRPXQKRCYHOJ-UHFFFAOYSA-N 2 0 396.531 3.892 20 30 GHEDRP [NH2+]=C(NCCC[N@@H+]1CCc2ccccc2C1)Nc1ccccc1OC(F)(F)F ZINC000305203623 916007105 /nfs/dbraw/zinc/00/71/05/916007105.db2.gz FWDFDNFWVLKRPH-UHFFFAOYSA-N 2 0 392.425 3.760 20 30 GHEDRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccc(C#N)c1 ZINC000902871664 922571321 /nfs/dbraw/zinc/57/13/21/922571321.db2.gz RZNYVCHCRRBLFI-QHCPKHFHSA-N 2 0 390.531 3.625 20 30 GHEDRP CC(C)(C)OC(=O)N1CC[NH+](C2CCC([NH2+]CC(C)(C)CCC#N)CC2)CC1 ZINC000368293212 922578459 /nfs/dbraw/zinc/57/84/59/922578459.db2.gz WEHHIBHDAMIYEJ-UHFFFAOYSA-N 2 0 392.588 3.770 20 30 GHEDRP C[NH+]1CCC(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)(N2CCCCC2)CC1 ZINC000571694521 1019700334 /nfs/dbraw/zinc/70/03/34/1019700334.db2.gz XCCMONLKBHPHTA-UHFFFAOYSA-N 2 0 394.485 3.617 20 30 GHEDRP Cc1ccc(NC(=[NH2+])NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cc1C ZINC000304750282 1021154617 /nfs/dbraw/zinc/15/46/17/1021154617.db2.gz IFWPFYMZDFXBIP-IBGZPJMESA-N 2 0 380.536 3.930 20 30 GHEDRP N#CC1(c2cccnc2N[C@@H]2CCC[C@@H]([NH3+])C2)CC[NH+](Cc2ccccc2)CC1 ZINC001162390037 1025733887 /nfs/dbraw/zinc/73/38/87/1025733887.db2.gz BOXWCEIKZPHEIW-NHCUHLMSSA-N 2 0 389.547 3.821 20 30 GHEDRP N#Cc1ccnc(-c2ccc(C[N@H+]3C[C@H]4CN(Cc5cccnc5)C[C@H]4C3)cc2)c1 ZINC001139402438 1026273173 /nfs/dbraw/zinc/27/31/73/1026273173.db2.gz RLJLZBJEZBLKTA-PSWAGMNNSA-N 2 0 395.510 3.579 20 30 GHEDRP C=CC[N@H+]1CCc2c(Cl)c(O[C@H]3CC[NH2+]C3)c(O)cc2[C@@H](c2ccccc2)C1 ZINC001218182717 1030809970 /nfs/dbraw/zinc/80/99/70/1030809970.db2.gz ZVZPYQSGKQKQMF-FXAWDEMLSA-N 2 0 398.934 3.962 20 30 GHEDRP C=CCCCCC[C@H]([NH3+])C(=O)Nc1cc(F)ccc1OCC1CC[NH2+]CC1 ZINC001219129327 1031264732 /nfs/dbraw/zinc/26/47/32/1031264732.db2.gz LENZHKCROCNKPU-SFHVURJKSA-N 2 0 377.504 3.606 20 30 GHEDRP C=CCOC(=O)N1CC2(C1)CC[NH+](CC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001207287946 1034239463 /nfs/dbraw/zinc/23/94/63/1034239463.db2.gz YLJQNHQFCIXAGZ-UHFFFAOYSA-N 2 0 397.563 3.619 20 30 GHEDRP COc1cccc(CC[NH+]2CCCC2)c1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159507134 1034625417 /nfs/dbraw/zinc/62/54/17/1034625417.db2.gz BCLIHUYOPJIFTQ-UHFFFAOYSA-N 2 0 376.504 3.636 20 30 GHEDRP N#Cc1cc(Nc2cccc(C[NH+]3CCCCC3)c2F)ccc1N1CC[NH2+]CC1 ZINC001159748984 1034731951 /nfs/dbraw/zinc/73/19/51/1034731951.db2.gz TWBNXWDUUQNXPV-UHFFFAOYSA-N 2 0 393.510 3.836 20 30 GHEDRP C=CCN(CCN1C[C@H]2c3ccccc3[C@H]([N@H+](C)C(C)C)[C@H]2C1)C(=O)OCC ZINC001209022287 1035152245 /nfs/dbraw/zinc/15/22/45/1035152245.db2.gz UPCXBRBNYAVWMC-FKBYEOEOSA-N 2 0 385.552 3.741 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC001245987843 1037110029 /nfs/dbraw/zinc/11/00/29/1037110029.db2.gz FMZAAXSNPOMPOX-BHIFYINESA-N 2 0 386.621 3.628 20 30 GHEDRP C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H]3CC[NH2+]C4(CCCCC4)C3)CC2)C1 ZINC001246528489 1037464496 /nfs/dbraw/zinc/46/44/96/1037464496.db2.gz XWGOVGIDODFDAZ-HXUWFJFHSA-N 2 0 389.584 3.942 20 30 GHEDRP CCCCCCCC[C@@H](O)C[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001252127867 1038878698 /nfs/dbraw/zinc/87/86/98/1038878698.db2.gz GGCWVVVUOZCVAO-JOCHJYFZSA-N 2 0 390.616 3.839 20 30 GHEDRP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+](CCCc1ccc(C#N)cc1)CC2 ZINC001235019212 1040508551 /nfs/dbraw/zinc/50/85/51/1040508551.db2.gz NUFLEKLXQGVPTM-UHFFFAOYSA-N 2 0 375.516 3.636 20 30 GHEDRP N#Cc1cccc(C[N@H+]([C@H]2CCN(Cc3ccccc3)C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001255106240 1040786820 /nfs/dbraw/zinc/78/68/20/1040786820.db2.gz PLTWUTDVZGOHFN-SDHOMARFSA-N 2 0 388.559 3.905 20 30 GHEDRP N#Cc1ccc(C[N@H+]([C@H]2CCN(Cc3ccccc3)C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001255106196 1040787159 /nfs/dbraw/zinc/78/71/59/1040787159.db2.gz OIIQOYXQSNJENK-SDHOMARFSA-N 2 0 388.559 3.905 20 30 GHEDRP C=CCOC(=O)N1CCC(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001255135641 1040835693 /nfs/dbraw/zinc/83/56/93/1040835693.db2.gz KKFQSIFGMNGQTI-WBDAEOGXSA-N 2 0 397.563 3.806 20 30 GHEDRP C#CCOc1ccc(C[N@@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)cc1OC ZINC001236382897 1041691410 /nfs/dbraw/zinc/69/14/10/1041691410.db2.gz QTIBFQWPCQBUFP-UHFFFAOYSA-N 2 0 396.506 3.848 20 30 GHEDRP C[C@H]1C[C@H](CC[NH2+]CCC(=O)Nc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC001261436927 1045998939 /nfs/dbraw/zinc/99/89/39/1045998939.db2.gz OWLUYJHSEHFHPQ-UGKGYDQZSA-N 2 0 390.531 3.777 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001327785905 1050277537 /nfs/dbraw/zinc/27/75/37/1050277537.db2.gz UZUPUFVETNJPBZ-NOTZXAQLSA-N 2 0 396.579 3.522 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000511437212 837306659 /nfs/dbraw/zinc/30/66/59/837306659.db2.gz IOELTMVRTUSKHA-JOCHJYFZSA-N 2 0 398.595 3.627 20 30 GHEDRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C3CCN(c4ccc(C#N)cn4)CC3)CC2)C1 ZINC000161702862 843134113 /nfs/dbraw/zinc/13/41/13/843134113.db2.gz MTMNCZPTINDVSX-GCJKJVERSA-N 2 0 381.568 3.555 20 30 GHEDRP C=CCOc1ccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc1OC ZINC000657611640 848325388 /nfs/dbraw/zinc/32/53/88/848325388.db2.gz AQPRWLZEVHEFLT-UHFFFAOYSA-N 2 0 381.520 3.657 20 30 GHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(C#N)c(C)c2)CC1 ZINC000488142516 851199387 /nfs/dbraw/zinc/19/93/87/851199387.db2.gz BXCAYYGMESJZTE-SFHVURJKSA-N 2 0 380.511 3.999 20 30 GHEDRP C[NH+]1CCC(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)(N2CCCCC2)CC1 ZINC000507648752 853135955 /nfs/dbraw/zinc/13/59/55/853135955.db2.gz IFQBAAWILLZSSZ-UHFFFAOYSA-N 2 0 394.607 3.930 20 30 GHEDRP C=CCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1OC ZINC000414993242 853520975 /nfs/dbraw/zinc/52/09/75/853520975.db2.gz CHKUHLXZTTZRSY-PZJWPPBQSA-N 2 0 384.495 3.882 20 30 GHEDRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)C2)ccn1 ZINC000856548077 881362964 /nfs/dbraw/zinc/36/29/64/881362964.db2.gz GPQPXEAYQKTDKL-HSZRJFAPSA-N 2 0 390.531 3.742 20 30 GHEDRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000895683890 859816644 /nfs/dbraw/zinc/81/66/44/859816644.db2.gz XIZOMLWRWFOAEK-UHFFFAOYSA-N 2 0 380.540 3.557 20 30 GHEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000602570685 860121906 /nfs/dbraw/zinc/12/19/06/860121906.db2.gz VMBLDCRMNIWDMD-OAQYLSRUSA-N 2 0 399.579 3.746 20 30 GHEDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(-c2ccccc2C#N)cc1 ZINC000441265631 871656127 /nfs/dbraw/zinc/65/61/27/871656127.db2.gz MGYWFCJPHWYEBZ-JRFVFWCSSA-N 2 0 375.516 3.909 20 30 GHEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC001196055728 872831304 /nfs/dbraw/zinc/83/13/04/872831304.db2.gz GGRHBPPRVOEYNV-OFNKIYASSA-N 2 0 383.580 3.800 20 30 GHEDRP C#CCOc1ccc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000113318356 880503061 /nfs/dbraw/zinc/50/30/61/880503061.db2.gz ADPGVEZCSZLHQZ-WOJBJXKFSA-N 2 0 378.516 3.598 20 30 GHEDRP C#CCOc1ccccc1C[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000915227946 886070503 /nfs/dbraw/zinc/07/05/03/886070503.db2.gz FPKALKWMJCLGLP-UHFFFAOYSA-N 2 0 391.559 3.699 20 30 GHEDRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C(=O)NC1(C#N)CCCCC1 ZINC000497320688 890800431 /nfs/dbraw/zinc/80/04/31/890800431.db2.gz XKYSLAFWEBDJSS-FQEVSTJZSA-N 2 0 396.579 3.883 20 30 GHEDRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000818961690 896267183 /nfs/dbraw/zinc/26/71/83/896267183.db2.gz VHJHKIWKTHIEFE-IECBHUPTSA-N 2 0 377.532 3.859 20 30 GHEDRP C[C@@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000883343708 897511353 /nfs/dbraw/zinc/51/13/53/897511353.db2.gz WNEAVUMIEIULIC-GOSISDBHSA-N 2 0 381.495 3.765 20 30 GHEDRP Cc1ccc([C@@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)[NH+]2CCCC2)cc1 ZINC000104181325 904550186 /nfs/dbraw/zinc/55/01/86/904550186.db2.gz DWMQBCDNYNXHGV-HXUWFJFHSA-N 2 0 394.519 3.720 20 30 GHEDRP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988652 906053023 /nfs/dbraw/zinc/05/30/23/906053023.db2.gz CNWUEXUXRVRCND-HAGHYFMRSA-N 2 0 390.572 3.617 20 30 GHEDRP C=CCOC1CCC([NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccco4)CO3)CC2)CC1 ZINC001173322312 906372343 /nfs/dbraw/zinc/37/23/43/906372343.db2.gz BXKWARANLKBGOV-KBWCOIMZSA-N 2 0 388.552 3.849 20 30 GHEDRP N#CCC1CCC([N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)CC1 ZINC001173334131 906377249 /nfs/dbraw/zinc/37/72/49/906377249.db2.gz VDGDAABZCIJVBP-YXCLHDAWSA-N 2 0 385.596 3.919 20 30 GHEDRP CCOC(=O)C[C@H]1CC[C@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173634550 906585390 /nfs/dbraw/zinc/58/53/90/906585390.db2.gz VQNYROMSZDIAOS-CMOCDZPBSA-N 2 0 383.536 3.752 20 30 GHEDRP CCc1cccc(CC)c1NC(=[NH2+])NC[C@H](c1ccc(OC)c(OC)c1)N(C)C ZINC000303782496 915125732 /nfs/dbraw/zinc/12/57/32/915125732.db2.gz NHIZGCBCQHFUDP-LJQANCHMSA-N 2 0 398.551 3.858 20 30 GHEDRP Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCC[N@H+]2CCCN(C)CC2)cc1 ZINC000303977063 915346174 /nfs/dbraw/zinc/34/61/74/915346174.db2.gz KVBQFQYJYHSGAP-UHFFFAOYSA-N 2 0 393.579 3.580 20 30 GHEDRP CCc1cccc(CC)c1NC(=[NH2+])NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000304756092 915672554 /nfs/dbraw/zinc/67/25/54/915672554.db2.gz NKDKPFGIOCYXNN-UHFFFAOYSA-N 2 0 394.563 3.695 20 30 GHEDRP COc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c(C#N)c1 ZINC001137706916 935736631 /nfs/dbraw/zinc/73/66/31/935736631.db2.gz WKIGGQLJPCNWIP-VXKWHMMOSA-N 2 0 375.516 3.911 20 30 GHEDRP N#Cc1cc(Cl)nc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001155358126 1032517130 /nfs/dbraw/zinc/51/71/30/1032517130.db2.gz OZIPUNUFZLJDEH-IBGZPJMESA-N 2 0 395.938 3.520 20 30 GHEDRP N#Cc1c(N[C@H](CC2CC[NH2+]CC2)c2ccccc2F)ncc2c1CCC[NH2+]C2 ZINC001162231476 1025681395 /nfs/dbraw/zinc/68/13/95/1025681395.db2.gz UIIYXIIKMGWTJV-JOCHJYFZSA-N 2 0 393.510 3.671 20 30 GHEDRP N#Cc1cc2c(cccc2NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)[nH]1 ZINC001162935740 1025973419 /nfs/dbraw/zinc/97/34/19/1025973419.db2.gz UNSFEHRAUZYDTD-FQEVSTJZSA-N 2 0 399.542 3.953 20 30 GHEDRP N#Cc1cc(Br)c(Cl)cc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210271526 1027418663 /nfs/dbraw/zinc/41/86/63/1027418663.db2.gz RVJQLYBGSGLJOT-UHFFFAOYSA-N 2 0 392.688 3.522 20 30 GHEDRP N#Cc1nc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)ccc1Cl ZINC001159460698 1034606399 /nfs/dbraw/zinc/60/63/99/1034606399.db2.gz YBMCJPFIFYMLFV-UHFFFAOYSA-N 2 0 379.895 3.516 20 30 GHEDRP C=CCOC(=O)N1CCC2(CC1)CC[NH+](CC1(C[NH+](C)C)CCCC1)CC2 ZINC001208182361 1034779400 /nfs/dbraw/zinc/77/94/00/1034779400.db2.gz MBMHLXGFYPPYTB-UHFFFAOYSA-N 2 0 377.573 3.609 20 30 GHEDRP C=CCOC(=O)N1CCCC2(CC[NH+](CC3(C[NH+](C)C)CCCC3)CC2)C1 ZINC001208182425 1034779432 /nfs/dbraw/zinc/77/94/32/1034779432.db2.gz RSLVHZYMKNPCOZ-UHFFFAOYSA-N 2 0 377.573 3.609 20 30 GHEDRP CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001231821172 1034928912 /nfs/dbraw/zinc/92/89/12/1034928912.db2.gz ROXIJPYCUKIECD-ZEQRLZLVSA-N 2 0 388.559 3.990 20 30 GHEDRP C=CCN(CC[NH+]1CCC2(CC[C@@H]2[N@H+](C)Cc2ccco2)CC1)C(=O)OCC ZINC001209019784 1035152431 /nfs/dbraw/zinc/15/24/31/1035152431.db2.gz SUXVXPJOBDGWRU-FQEVSTJZSA-N 2 0 389.540 3.601 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC001245979336 1037103970 /nfs/dbraw/zinc/10/39/70/1037103970.db2.gz ULRUYZNEGGVPIR-FGZHOGPDSA-N 2 0 386.621 3.501 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@@H](O)C[NH+]1CCC([NH3+])CC1 ZINC001246014191 1037133506 /nfs/dbraw/zinc/13/35/06/1037133506.db2.gz NCDWUCBGEIFFHW-QFIPXVFZSA-N 2 0 386.621 3.725 20 30 GHEDRP C=CCOC(=O)N1CCCC2(CC[NH+]([C@H]3CC[NH2+][C@@H](C(C)(C)C)C3)CC2)C1 ZINC001246527435 1037460704 /nfs/dbraw/zinc/46/07/04/1037460704.db2.gz UMWPWKWDUPRPNN-RBUKOAKNSA-N 2 0 377.573 3.654 20 30 GHEDRP C=CCOC(=O)N1CCCC2(CC[NH+]([C@H]3CC[NH2+]C4(CCCCC4)C3)CC2)C1 ZINC001246528487 1037461819 /nfs/dbraw/zinc/46/18/19/1037461819.db2.gz XWGOVGIDODFDAZ-FQEVSTJZSA-N 2 0 389.584 3.942 20 30 GHEDRP CCCCCCCCOc1ccc(-c2noc([C@]34C[NH2+]C[C@H]3C[NH2+]CC4)n2)cc1 ZINC001247854976 1038427426 /nfs/dbraw/zinc/42/74/26/1038427426.db2.gz GEIGNYDSMHXRRI-AUSIDOKSSA-N 2 0 398.551 3.926 20 30 GHEDRP CN(C)c1ccc(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1C#N ZINC001233101921 1038879439 /nfs/dbraw/zinc/87/94/39/1038879439.db2.gz JTAMJXMPPOIQPO-LJQANCHMSA-N 2 0 380.511 3.717 20 30 GHEDRP N#C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC001254651040 1040418022 /nfs/dbraw/zinc/41/80/22/1040418022.db2.gz ZXOHEZXLXZHWMN-HKUYNNGSSA-N 2 0 376.342 3.943 20 30 GHEDRP CN(CCC#N)c1ccc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235375369 1040886454 /nfs/dbraw/zinc/88/64/54/1040886454.db2.gz ZNURZLSCNDLTRS-NOZRDPDXSA-N 2 0 388.559 3.790 20 30 GHEDRP CCOC(=O)C1CCC([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001255256607 1040929379 /nfs/dbraw/zinc/92/93/79/1040929379.db2.gz DXSGLHSMYYSENU-KYDXEYDTSA-N 2 0 383.536 3.752 20 30 GHEDRP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001255959887 1041437837 /nfs/dbraw/zinc/43/78/37/1041437837.db2.gz BGWPAMATYGWBJV-XUZZJYLKSA-N 2 0 398.595 3.597 20 30 GHEDRP N#Cc1ccc(OC2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)cc1Cl ZINC001235970070 1041475181 /nfs/dbraw/zinc/47/51/81/1041475181.db2.gz HUCCLWLRYQWZBL-UHFFFAOYSA-N 2 0 381.907 3.901 20 30 GHEDRP CCc1cc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccco4)CO3)CC2)ccc1C#N ZINC001238763204 1042719060 /nfs/dbraw/zinc/71/90/60/1042719060.db2.gz QAVURHOXZBGJSH-QFIPXVFZSA-N 2 0 393.531 3.969 20 30 GHEDRP CCCCCCC[C@@H](C)[NH+]1CCC(N2CCC([NH+]3CCN(C)CC3)CC2)CC1 ZINC001258049732 1044370990 /nfs/dbraw/zinc/37/09/90/1044370990.db2.gz NUVHMAQVTXRAEY-JOCHJYFZSA-N 2 0 392.676 3.912 20 30 GHEDRP Cc1ccc(CNC(Nc2ccccc2)=[NH+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000849054482 1057565093 /nfs/dbraw/zinc/56/50/93/1057565093.db2.gz ATCKKHNRBKMMAE-UHFFFAOYSA-N 2 0 393.579 3.579 20 30 GHEDRP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000728571596 834789432 /nfs/dbraw/zinc/78/94/32/834789432.db2.gz GIRQFOLCRDGTDK-HXUWFJFHSA-N 2 0 384.568 3.682 20 30 GHEDRP C=CCOc1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1Cl ZINC000685457308 835021902 /nfs/dbraw/zinc/02/19/02/835021902.db2.gz AMLNFNVFZAHPKX-IBGZPJMESA-N 2 0 377.960 3.505 20 30 GHEDRP N#CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000248405790 845303519 /nfs/dbraw/zinc/30/35/19/845303519.db2.gz RTKRNFGTXKWVCR-YFNKSVMNSA-N 2 0 375.516 3.979 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000414864570 850001869 /nfs/dbraw/zinc/00/18/69/850001869.db2.gz YUFBWOSEEXMULO-HIFRSBDPSA-N 2 0 383.330 3.500 20 30 GHEDRP C=CCC[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)c1ccccc1 ZINC000435094559 850073016 /nfs/dbraw/zinc/07/30/16/850073016.db2.gz CMYRQVRGAAMGRL-JOCHJYFZSA-N 2 0 398.595 3.943 20 30 GHEDRP CC1(c2ccccc2)CC(NC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000262075041 853249586 /nfs/dbraw/zinc/24/95/86/853249586.db2.gz DLJUIFHTCJJVDF-UHFFFAOYSA-N 2 0 376.548 3.676 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)N(CC)[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000473961368 854440437 /nfs/dbraw/zinc/44/04/37/854440437.db2.gz WNIPSMUJBSWJKU-UGKGYDQZSA-N 2 0 384.568 3.504 20 30 GHEDRP CCC[NH+]1CCC(Nc2ccc(C#N)c(NC3CC[NH+](CCC)CC3)n2)CC1 ZINC000302846306 855948936 /nfs/dbraw/zinc/94/89/36/855948936.db2.gz NZRNPIOXNHANTQ-UHFFFAOYSA-N 2 0 384.572 3.526 20 30 GHEDRP CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(O)c1 ZINC000760976912 856888794 /nfs/dbraw/zinc/88/87/94/856888794.db2.gz AICLBJYVBTVTND-DZQSVEARSA-N 2 0 395.547 3.948 20 30 GHEDRP C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC[C@H]1CCCC[NH+]1C ZINC000173642303 857048947 /nfs/dbraw/zinc/04/89/47/857048947.db2.gz BWMATNDWDCINOW-MRXNPFEDSA-N 2 0 388.581 3.633 20 30 GHEDRP C=CCOc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)cc1 ZINC000856553545 881383968 /nfs/dbraw/zinc/38/39/68/881383968.db2.gz BYQZIQKQWYRPGA-HSZRJFAPSA-N 2 0 381.520 3.751 20 30 GHEDRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)CC3(C#N)CCOCC3)CC2)cc1 ZINC000602532098 860101394 /nfs/dbraw/zinc/10/13/94/860101394.db2.gz JXLPXYLJTXQBDB-IBGZPJMESA-N 2 0 385.552 3.596 20 30 GHEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898518692 864078917 /nfs/dbraw/zinc/07/89/17/864078917.db2.gz JMBIPUZHKHZWGS-FCJDFRRUSA-N 2 0 381.564 3.976 20 30 GHEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000262457534 864494261 /nfs/dbraw/zinc/49/42/61/864494261.db2.gz WYFRZZVWPRQXML-PWRODBHTSA-N 2 0 390.616 3.542 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1OCC ZINC000414911310 864503735 /nfs/dbraw/zinc/50/37/35/864503735.db2.gz DUFYHHHRQBDHAT-CABCVRRESA-N 2 0 383.330 3.772 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000171728248 865346121 /nfs/dbraw/zinc/34/61/21/865346121.db2.gz DTXZFVOVPHTUFL-UHFFFAOYSA-N 2 0 384.568 3.512 20 30 GHEDRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000524184673 868674221 /nfs/dbraw/zinc/67/42/21/868674221.db2.gz NGVIRFTWDXPUIR-SFHVURJKSA-N 2 0 388.531 3.513 20 30 GHEDRP N#Cc1ccc(C[NH+]2CCC(N[C@H](C[NH+]3CCCC3)c3ccccc3)CC2)cc1 ZINC000181430671 870998428 /nfs/dbraw/zinc/99/84/28/870998428.db2.gz UZTFCXPUGBNWJM-RUZDIDTESA-N 2 0 388.559 3.949 20 30 GHEDRP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000549868362 875715240 /nfs/dbraw/zinc/71/52/40/875715240.db2.gz UYRMCJARNYRWCJ-LJQANCHMSA-N 2 0 381.545 3.638 20 30 GHEDRP N#Cc1ccc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1C(F)(F)F ZINC000609449152 883205538 /nfs/dbraw/zinc/20/55/38/883205538.db2.gz OQUQCVINQDMABN-UHFFFAOYSA-N 2 0 389.425 3.596 20 30 GHEDRP N#Cc1ccc2ncc(C[N@@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)n2c1 ZINC000556884937 886457816 /nfs/dbraw/zinc/45/78/16/886457816.db2.gz RVPWMKPXISMSEW-UHFFFAOYSA-N 2 0 385.515 3.694 20 30 GHEDRP C[C@H](Cc1cccnc1)[NH2+]Cc1cc(C#N)cc(C[NH2+][C@@H](C)Cc2cccnc2)c1 ZINC000934226915 893487919 /nfs/dbraw/zinc/48/79/19/893487919.db2.gz LXDXOOQEXZAPTK-BGYRXZFFSA-N 2 0 399.542 3.790 20 30 GHEDRP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccc(OCC#N)cc1)CC2 ZINC001137117036 893504634 /nfs/dbraw/zinc/50/46/34/893504634.db2.gz ZSJBPYMGXKLNBQ-UHFFFAOYSA-N 2 0 390.531 3.861 20 30 GHEDRP C=CCCC[C@H](C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)c1ccccc1 ZINC000878553407 894380464 /nfs/dbraw/zinc/38/04/64/894380464.db2.gz YZBQBLWPLMWETR-QHCPKHFHSA-N 2 0 383.580 3.801 20 30 GHEDRP N#Cc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1F ZINC000817408814 895587957 /nfs/dbraw/zinc/58/79/57/895587957.db2.gz PPJRAFFWCDVGBP-UHFFFAOYSA-N 2 0 378.495 3.519 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000111507621 898807914 /nfs/dbraw/zinc/80/79/14/898807914.db2.gz MTIUGGBQTCKXIR-NOTZXAQLSA-N 2 0 396.579 3.522 20 30 GHEDRP N#Cc1ccc(C(=O)N2CCC([N@@H+](C3CCCC3)[C@H]3CC[C@H]([NH3+])CC3)CC2)cc1 ZINC001173429660 906466536 /nfs/dbraw/zinc/46/65/36/906466536.db2.gz URLMMMLVNVYXTM-AQYVVDRMSA-N 2 0 394.563 3.677 20 30 GHEDRP C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179389721 906491448 /nfs/dbraw/zinc/49/14/48/906491448.db2.gz NVCWGPBPPHBYEA-GOSISDBHSA-N 2 0 391.519 3.519 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000633637690 908409783 /nfs/dbraw/zinc/40/97/83/908409783.db2.gz YWLKWOFDSFATSI-JOCHJYFZSA-N 2 0 398.595 3.628 20 30 GHEDRP C=CCOc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1Cl ZINC001178462351 909064324 /nfs/dbraw/zinc/06/43/24/909064324.db2.gz CCVUMUZJBMSTRA-FQEVSTJZSA-N 2 0 386.923 3.761 20 30 GHEDRP CCc1cccc(CC)c1NC(=[NH2+])NCc1ccc(CN2CCOCC2)cc1 ZINC000303784604 915127841 /nfs/dbraw/zinc/12/78/41/915127841.db2.gz PKXWOVXRUHTQDG-UHFFFAOYSA-N 2 0 380.536 3.570 20 30 GHEDRP COc1ccc(C[NH+]2CCC(C[NH+]=C(NCc3ccccc3)N(C)C)CC2)cc1 ZINC000303886728 915298038 /nfs/dbraw/zinc/29/80/38/915298038.db2.gz NXTHCSUMKDIKGG-UHFFFAOYSA-N 2 0 394.563 3.615 20 30 GHEDRP Cc1ccc(NC(=[NH2+])NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1C ZINC000305722130 916298031 /nfs/dbraw/zinc/29/80/31/916298031.db2.gz CJBCSXJTOBAWGS-UHFFFAOYSA-N 2 0 391.563 3.762 20 30 GHEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1CCC([NH3+])(Cc2cccc(Cl)c2)CC1 ZINC001221136862 1032302699 /nfs/dbraw/zinc/30/26/99/1032302699.db2.gz WDUMTASJQGUJFT-IBGZPJMESA-N 2 0 377.960 3.666 20 30 GHEDRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)cc1 ZINC001204270128 1032713243 /nfs/dbraw/zinc/71/32/43/1032713243.db2.gz PVDYBHIYPCJQBE-DEOSSOPVSA-N 2 0 393.531 3.932 20 30 GHEDRP C[C@@H]([NH2+]C1(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)CCOCC1)c1ccccc1 ZINC000304747868 1021153828 /nfs/dbraw/zinc/15/38/28/1021153828.db2.gz GTEGZHSKRUKFRQ-GOSISDBHSA-N 2 0 392.547 3.802 20 30 GHEDRP C[NH+]1CCN(c2ccccc2C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)CC1 ZINC001140974193 1023050399 /nfs/dbraw/zinc/05/03/99/1023050399.db2.gz XBDYRJQIYYYMDM-UHFFFAOYSA-N 2 0 388.559 3.765 20 30 GHEDRP N#Cc1ccnc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1Cl ZINC001162933654 1025971293 /nfs/dbraw/zinc/97/12/93/1025971293.db2.gz QDHRXXFJRBBQCC-IBGZPJMESA-N 2 0 395.938 3.520 20 30 GHEDRP N#CCc1c(F)cccc1NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162940949 1025977850 /nfs/dbraw/zinc/97/78/50/1025977850.db2.gz BQSYJEPRTJVJLO-HXUWFJFHSA-N 2 0 392.522 3.805 20 30 GHEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(-c3cccnc3)cc2)CC1 ZINC001139645109 1026505570 /nfs/dbraw/zinc/50/55/70/1026505570.db2.gz BIUBAMKKVNAKDE-UHFFFAOYSA-N 2 0 376.548 3.540 20 30 GHEDRP N#Cc1c(Cl)ccnc1-n1cc(CC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC001159459938 1034604259 /nfs/dbraw/zinc/60/42/59/1034604259.db2.gz HWZQONYOUQLCCM-UHFFFAOYSA-N 2 0 379.895 3.516 20 30 GHEDRP N#Cc1cc(Nc2c(F)cccc2OCC2CC[NH2+]CC2)cc(C2C[NH2+]C2)c1 ZINC001160156779 1034882706 /nfs/dbraw/zinc/88/27/06/1034882706.db2.gz LHHJFARHMLCOGB-UHFFFAOYSA-N 2 0 380.467 3.506 20 30 GHEDRP C=CCN1C(=O)CCC[C@]12CCC[N@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208938100 1035104341 /nfs/dbraw/zinc/10/43/41/1035104341.db2.gz UVSBOAPMPWHGDX-ILBGXUMGSA-N 2 0 395.591 3.932 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@@H](O)C[NH+]1CC(CC[NH3+])C1 ZINC001246044369 1037156403 /nfs/dbraw/zinc/15/64/03/1037156403.db2.gz FPBXXBBCVVHJMX-QFIPXVFZSA-N 2 0 386.621 3.582 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@@H](O)C[NH+]1CC2(CC([NH3+])C2)C1 ZINC001246043255 1037156656 /nfs/dbraw/zinc/15/66/56/1037156656.db2.gz DYMWTAIWEHHYMF-QFIPXVFZSA-N 2 0 398.632 3.725 20 30 GHEDRP N#Cc1nccc(Oc2cccc(-c3ccc(CN[C@H]4CCC[NH2+]C4)cc3)c2)n1 ZINC001246297265 1037282960 /nfs/dbraw/zinc/28/29/60/1037282960.db2.gz WMGISJQNZOLTOC-FQEVSTJZSA-N 2 0 385.471 3.649 20 30 GHEDRP CCCCCCC[C@H](C)[NH2+][C@H](C(CC)CC)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001246413419 1037369894 /nfs/dbraw/zinc/36/98/94/1037369894.db2.gz WUMXBYVBYXKEPY-JSNNEVCYSA-N 2 0 384.605 3.627 20 30 GHEDRP COc1ccccc1CC1(C[NH2+][C@@H](C)Cc2cccc(C#N)c2)CC[NH2+]CC1 ZINC001246422671 1037381464 /nfs/dbraw/zinc/38/14/64/1037381464.db2.gz XXDBVAQUBPWFPI-IBGZPJMESA-N 2 0 377.532 3.700 20 30 GHEDRP C=CCN1CC[C@@]2(C[N@H+]([C@@H]3CC[NH2+][C@@H](CCCC)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246704496 1037558194 /nfs/dbraw/zinc/55/81/94/1037558194.db2.gz WAASHXGGNDRSNS-KBOSCXGNSA-N 2 0 395.591 3.801 20 30 GHEDRP C[NH2+][C@@H](CCCC[NH3+])c1nc(-c2ccc(Oc3ccc(C#N)cc3)cc2)no1 ZINC001247821765 1038407032 /nfs/dbraw/zinc/40/70/32/1038407032.db2.gz XNKCYOREIYXWRF-IBGZPJMESA-N 2 0 377.448 3.790 20 30 GHEDRP CCCCCCCOc1ccc(-c2noc([C@]34C[NH2+]C[C@H]3C[NH2+]CC4)n2)cc1 ZINC001247855038 1038427625 /nfs/dbraw/zinc/42/76/25/1038427625.db2.gz HFLMNPCSVIBNCQ-XMSQKQJNSA-N 2 0 384.524 3.536 20 30 GHEDRP N#Cc1ccc(-c2noc([C@@H]3CCC[N@@H+](C4CC[NH2+]CC4)C3)n2)c2ccccc12 ZINC001247904058 1038474942 /nfs/dbraw/zinc/47/49/42/1038474942.db2.gz DMXYQHWRKPHZMF-QGZVFWFLSA-N 2 0 387.487 3.693 20 30 GHEDRP Cc1cc(C#N)ccc1C[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001233081136 1038847026 /nfs/dbraw/zinc/84/70/26/1038847026.db2.gz PKZDYSNKHXRHCW-UHFFFAOYSA-N 2 0 375.516 3.734 20 30 GHEDRP N#Cc1ccc(C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001254588200 1040362284 /nfs/dbraw/zinc/36/22/84/1040362284.db2.gz WKFCOZPMTINIOF-MQSCRBSSSA-N 2 0 390.487 3.706 20 30 GHEDRP N#C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3Br)CC2)C1 ZINC001254648444 1040417832 /nfs/dbraw/zinc/41/78/32/1040417832.db2.gz IHHYNNXNKMTTPL-SJLPKXTDSA-N 2 0 376.342 3.943 20 30 GHEDRP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccccc4CC#N)CC3)C2)cc1 ZINC001235519975 1040973703 /nfs/dbraw/zinc/97/37/03/1040973703.db2.gz XKKYIGPJBPDVNK-UHFFFAOYSA-N 2 0 389.543 3.928 20 30 GHEDRP N#CC1(c2ccc(Br)cc2)CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC001235757912 1041247811 /nfs/dbraw/zinc/24/78/11/1041247811.db2.gz AUZWAEOGZINKIJ-INIZCTEOSA-N 2 0 376.342 3.696 20 30 GHEDRP C=CCc1cc(C[NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)cc(OC)c1O ZINC001308493071 1049989466 /nfs/dbraw/zinc/98/94/66/1049989466.db2.gz QANWSFZTPOIVFX-UHFFFAOYSA-N 2 0 380.532 3.883 20 30 GHEDRP C[NH+]1CCN(Cc2cccc(C[NH2+][C@H]3CCCCc4cc(C#N)ccc43)c2)CC1 ZINC001322475774 1056721802 /nfs/dbraw/zinc/72/18/02/1056721802.db2.gz NCJGQOJAIZSQLT-VWLOTQADSA-N 2 0 388.559 3.863 20 30 GHEDRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)CCOc3ccccc3C#N)cc2)C[C@H](C)O1 ZINC001460318601 1068922703 /nfs/dbraw/zinc/92/27/03/1068922703.db2.gz RSUKXIQOKPMUFN-BGYRXZFFSA-N 2 0 393.531 3.678 20 30 GHEDRP CCCC[N@H+](C[C@H](O)COc1ccccc1C#N)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001473683254 1074084691 /nfs/dbraw/zinc/08/46/91/1074084691.db2.gz MMFGSJREOGVXFQ-FQEVSTJZSA-N 2 0 387.568 3.709 20 30 GHEDRP C=CCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)cc1 ZINC000245726600 844081186 /nfs/dbraw/zinc/08/11/86/844081186.db2.gz RATYFCHJENFVGZ-DHIUTWEWSA-N 2 0 399.579 3.661 20 30 GHEDRP C[C@H]1C[N@H+](CCC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CCCO1 ZINC000432370434 842229859 /nfs/dbraw/zinc/22/98/59/842229859.db2.gz ZUEATDJHDSBERA-FQEVSTJZSA-N 2 0 393.531 3.728 20 30 GHEDRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)C(=O)NC1(C#N)CCCCC1 ZINC000604045317 861656202 /nfs/dbraw/zinc/65/62/02/861656202.db2.gz OQINEHXDYBICAD-UXHICEINSA-N 2 0 396.579 3.882 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000414864574 850002917 /nfs/dbraw/zinc/00/29/17/850002917.db2.gz YUFBWOSEEXMULO-UKRRQHHQSA-N 2 0 383.330 3.500 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000519282514 850862175 /nfs/dbraw/zinc/86/21/75/850862175.db2.gz AWAHGJNNHWWMFE-HXUWFJFHSA-N 2 0 398.595 3.758 20 30 GHEDRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C(=O)Nc1cccc(C#N)c1 ZINC000515756777 851438676 /nfs/dbraw/zinc/43/86/76/851438676.db2.gz CQOZYCCATPAILC-MOPGFXCFSA-N 2 0 390.531 3.907 20 30 GHEDRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000184745799 855726510 /nfs/dbraw/zinc/72/65/10/855726510.db2.gz ICLYIPJMEOCMCU-RTBURBONSA-N 2 0 390.531 3.633 20 30 GHEDRP C#CCCOc1ccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000733324389 862866849 /nfs/dbraw/zinc/86/68/49/862866849.db2.gz VLPNDLQHPMAYKG-RUZDIDTESA-N 2 0 391.559 3.557 20 30 GHEDRP N#CCCn1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(-c2ccccc2)n1 ZINC000596059039 858767348 /nfs/dbraw/zinc/76/73/48/858767348.db2.gz MBDJDIDOMGNAJO-HXUWFJFHSA-N 2 0 377.536 3.675 20 30 GHEDRP CC(C)(C)OC(=O)N[C@H](CCC[NH3+])[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170365066 881428610 /nfs/dbraw/zinc/42/86/10/881428610.db2.gz NVMWOSYDGFFECR-GSVIPDFHSA-N 2 0 386.540 3.570 20 30 GHEDRP [NH2+]=C(NC[C@@H]1SCCc2ccccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000262503106 865505032 /nfs/dbraw/zinc/50/50/32/865505032.db2.gz AKSGSEGYGRBKEW-QFIPXVFZSA-N 2 0 394.588 3.586 20 30 GHEDRP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1)CC(C)C ZINC000539096213 871305734 /nfs/dbraw/zinc/30/57/34/871305734.db2.gz BODQJOPYTDYHMX-DENIHFKCSA-N 2 0 378.605 3.509 20 30 GHEDRP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000182771205 872747342 /nfs/dbraw/zinc/74/73/42/872747342.db2.gz DFPPDKLOTLDJLL-IBGZPJMESA-N 2 0 376.589 3.552 20 30 GHEDRP CCCCCCCCCN1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001201839330 875899634 /nfs/dbraw/zinc/89/96/34/875899634.db2.gz LPLNUPZQEYEVPD-NRFANRHFSA-N 2 0 391.604 3.577 20 30 GHEDRP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc1C#N ZINC000850402193 876882867 /nfs/dbraw/zinc/88/28/67/876882867.db2.gz GIKCEJMLBYPOLL-JOCHJYFZSA-N 2 0 375.516 3.959 20 30 GHEDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(C#N)c(F)c3)cc2F)CC1 ZINC000776738611 879787653 /nfs/dbraw/zinc/78/76/53/879787653.db2.gz FTRNNDCHIVSSNA-MRXNPFEDSA-N 2 0 384.474 3.829 20 30 GHEDRP C#CCCOc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1 ZINC000113336518 880518532 /nfs/dbraw/zinc/51/85/32/880518532.db2.gz QCRYIZJXZQIJQL-IBGZPJMESA-N 2 0 395.522 3.830 20 30 GHEDRP Cc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)cc1C#N ZINC000859362962 883774336 /nfs/dbraw/zinc/77/43/36/883774336.db2.gz CNIUMPDHXNZFFU-QHCPKHFHSA-N 2 0 378.520 3.755 20 30 GHEDRP Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1C ZINC000123278428 890475396 /nfs/dbraw/zinc/47/53/96/890475396.db2.gz WLEISNMJZKFBTJ-UHFFFAOYSA-N 2 0 384.568 3.604 20 30 GHEDRP N#Cc1ccc([C@H](O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000813370460 891554736 /nfs/dbraw/zinc/55/47/36/891554736.db2.gz HEMQXGJBPLRBHT-HSZRJFAPSA-N 2 0 375.516 3.580 20 30 GHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000817984509 895992624 /nfs/dbraw/zinc/99/26/24/895992624.db2.gz ZHOBIVRJHLKLMF-QHGAOEGBSA-N 2 0 377.960 3.685 20 30 GHEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000818961686 896266995 /nfs/dbraw/zinc/26/69/95/896266995.db2.gz VHJHKIWKTHIEFE-GLDPYIMESA-N 2 0 377.532 3.859 20 30 GHEDRP Cc1ccc(C)c(C(=O)C(C(=S)NC2CC[NH+](C)CC2)[n+]2cccc(C)c2)c1 ZINC000067952261 901071112 /nfs/dbraw/zinc/07/11/12/901071112.db2.gz XUHQJSPFEIGJOB-UHFFFAOYSA-O 2 0 396.580 3.522 20 30 GHEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001172308568 905465034 /nfs/dbraw/zinc/46/50/34/905465034.db2.gz ODKDCSOHQSPZEE-NRFANRHFSA-N 2 0 389.543 3.856 20 30 GHEDRP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001172308574 905465503 /nfs/dbraw/zinc/46/55/03/905465503.db2.gz ODKDCSOHQSPZEE-OAQYLSRUSA-N 2 0 389.543 3.856 20 30 GHEDRP CC(C)C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172978478 906046195 /nfs/dbraw/zinc/04/61/95/906046195.db2.gz QTKVGOVEEPQAMK-MKXGPGLRSA-N 2 0 378.561 3.506 20 30 GHEDRP CC[N@@H+]1CC[C@H](NC(=[NH2+])c2cc3ccc(OC(=O)c4cccs4)cc3s2)C1 ZINC001173356072 906392845 /nfs/dbraw/zinc/39/28/45/906392845.db2.gz ASPJFPIHPGPFEG-AWEZNQCLSA-N 2 0 399.541 3.982 20 30 GHEDRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](C1CCC(C)(C#N)CC1)CC2 ZINC001173595562 906549294 /nfs/dbraw/zinc/54/92/94/906549294.db2.gz RLVKWZCJJVYDJC-OOMBGRCJSA-N 2 0 396.579 3.857 20 30 GHEDRP CCOC(=O)C[C@@H]1CC[C@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173633939 906586108 /nfs/dbraw/zinc/58/61/08/906586108.db2.gz SNWILGZSFPMAPC-CIQXWFTPSA-N 2 0 383.536 3.752 20 30 GHEDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(OCC#N)cc3)cc2F)CC1 ZINC000181722375 907062102 /nfs/dbraw/zinc/06/21/02/907062102.db2.gz MKQJYSLQDSNUKW-GOSISDBHSA-N 2 0 396.510 3.721 20 30 GHEDRP C=CCOc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1Cl ZINC001178462352 909064017 /nfs/dbraw/zinc/06/40/17/909064017.db2.gz CCVUMUZJBMSTRA-HXUWFJFHSA-N 2 0 386.923 3.761 20 30 GHEDRP CC1CC[NH+]([C@H](CNC(=[NH2+])NCCc2cccs2)c2cccs2)CC1 ZINC000303773494 915120600 /nfs/dbraw/zinc/12/06/00/915120600.db2.gz FHXOALUQZAZRFZ-QGZVFWFLSA-N 2 0 376.595 3.730 20 30 GHEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NCCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000303879470 915237940 /nfs/dbraw/zinc/23/79/40/915237940.db2.gz GOAVIDULWNQGBP-QGZVFWFLSA-N 2 0 376.545 3.865 20 30 GHEDRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=[NH2+])N[C@H]3CCOc4ccccc43)cc2)C1 ZINC000304475946 915516694 /nfs/dbraw/zinc/51/66/94/915516694.db2.gz HJOKTTBONKKWAJ-GCJKJVERSA-N 2 0 392.547 3.847 20 30 GHEDRP Cc1cc(C)cc(NC(=[NH2+])NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c1 ZINC000305737447 916312527 /nfs/dbraw/zinc/31/25/27/916312527.db2.gz VAMHBBPPPCNOSC-UHFFFAOYSA-N 2 0 391.563 3.762 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)NCCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001226797369 1032134219 /nfs/dbraw/zinc/13/42/19/1032134219.db2.gz LKKWFDCTERFIGB-UHFFFAOYSA-N 2 0 398.595 3.628 20 30 GHEDRP C#CCOc1ccc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccco4)CO3)CC2)cc1 ZINC001138559349 1025022165 /nfs/dbraw/zinc/02/21/65/1025022165.db2.gz KUPMZUBNYFQOIP-NRFANRHFSA-N 2 0 394.515 3.547 20 30 GHEDRP Cc1ccc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccco4)CO3)CC2)cc1C#N ZINC001139725002 1026568691 /nfs/dbraw/zinc/56/86/91/1026568691.db2.gz YROOCDWDJUTAJY-OAQYLSRUSA-N 2 0 379.504 3.715 20 30 GHEDRP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207289858 1034240057 /nfs/dbraw/zinc/24/00/57/1034240057.db2.gz XYGFCWQHTYHUPE-JWQCQUIFSA-N 2 0 398.591 3.972 20 30 GHEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)CC1 ZINC001208176649 1034775621 /nfs/dbraw/zinc/77/56/21/1034775621.db2.gz JBIHIFKSPGTQSQ-WXFUMESZSA-N 2 0 381.564 3.907 20 30 GHEDRP N#CC1(Nc2ncccc2C[NH+]2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC001160108853 1034864987 /nfs/dbraw/zinc/86/49/87/1034864987.db2.gz ZGIJQDSWDYYYCY-UHFFFAOYSA-N 2 0 375.520 3.648 20 30 GHEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001160421640 1034968703 /nfs/dbraw/zinc/96/87/03/1034968703.db2.gz COEXUPZQBKEFDP-UDIDDNNKSA-N 2 0 398.595 3.604 20 30 GHEDRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](CCCc3cccc(C#N)c3)CC[C@@H]21 ZINC001208849608 1035056662 /nfs/dbraw/zinc/05/66/62/1035056662.db2.gz KBWBMZUATBSRSN-SGNDLWITSA-N 2 0 391.563 3.561 20 30 GHEDRP COc1ccc(CC2(C[NH2+][C@H](C)Cc3ccc(C#N)cc3)CC[NH2+]CC2)cc1 ZINC001246392626 1037352117 /nfs/dbraw/zinc/35/21/17/1037352117.db2.gz ZYZXXMBGZJLYNR-LJQANCHMSA-N 2 0 377.532 3.700 20 30 GHEDRP COc1ccc(CC2(C[NH2+][C@@H](C)Cc3cccc(C#N)c3)CC[NH2+]CC2)cc1 ZINC001246396456 1037356907 /nfs/dbraw/zinc/35/69/07/1037356907.db2.gz YTOGEGLRLWYXFE-IBGZPJMESA-N 2 0 377.532 3.700 20 30 GHEDRP CCCCCCC[C@@H](C)[NH2+][C@H](C(CC)CC)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001246413418 1037368806 /nfs/dbraw/zinc/36/88/06/1037368806.db2.gz WUMXBYVBYXKEPY-IZXGSOTDSA-N 2 0 384.605 3.627 20 30 GHEDRP C=CCOC(=O)N1CCC2(CCC[N@@H+](C3C[C@@H](CC)[NH2+][C@H](CC)C3)C2)CC1 ZINC001246526112 1037457610 /nfs/dbraw/zinc/45/76/10/1037457610.db2.gz LYWXDCFNGQCNKJ-RTBURBONSA-N 2 0 377.573 3.796 20 30 GHEDRP C=CCOC(=O)N1CCCC2(CC[NH+](C3C[C@@H](CC)[NH2+][C@H](CC)C3)CC2)C1 ZINC001246527813 1037461880 /nfs/dbraw/zinc/46/18/80/1037461880.db2.gz WSBYGBOJDVZIOP-RTBURBONSA-N 2 0 377.573 3.796 20 30 GHEDRP C=CCC[C@H](O)C[NH2+]CC1CC[NH+](Cc2ccccc2Br)CC1 ZINC001252620731 1039051107 /nfs/dbraw/zinc/05/11/07/1039051107.db2.gz YWNAFYFDWHVNGE-SFHVURJKSA-N 2 0 381.358 3.578 20 30 GHEDRP CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)cc1 ZINC001235401086 1040914691 /nfs/dbraw/zinc/91/46/91/1040914691.db2.gz FMYFTKQNYQHIOP-PKTZIBPZSA-N 2 0 378.495 3.850 20 30 GHEDRP CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255593662 1041153381 /nfs/dbraw/zinc/15/33/81/1041153381.db2.gz HBGIWARKMNFIKK-NJDAHSKKSA-N 2 0 398.551 3.640 20 30 GHEDRP N#Cc1ccc(O[C@H]2CCC[N@H+](Cc3cn4c5c3cccc5C[NH2+]CC4)C2)cc1 ZINC001236581661 1041767489 /nfs/dbraw/zinc/76/74/89/1041767489.db2.gz MLSLVHGRZMXHAD-QFIPXVFZSA-N 2 0 386.499 3.660 20 30 GHEDRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1cn(C)c2ccc(C#N)cc12 ZINC001237473606 1042224684 /nfs/dbraw/zinc/22/46/84/1042224684.db2.gz PVWSRROLINZAME-UHFFFAOYSA-N 2 0 383.584 3.536 20 30 GHEDRP N#Cc1cc(-c2ccc(CO[C@H]3CCCC[C@@H]3[NH3+])c(F)c2)cc(C2C[NH2+]C2)c1 ZINC001240355354 1042922811 /nfs/dbraw/zinc/92/28/11/1042922811.db2.gz DSILGVAUGUGYAX-GOTSBHOMSA-N 2 0 379.479 3.838 20 30 GHEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001257022368 1043806689 /nfs/dbraw/zinc/80/66/89/1043806689.db2.gz KWVVJNSMLIZBSK-UHFFFAOYSA-N 2 0 392.591 3.876 20 30 GHEDRP C=C(C[NH+](C)C)C(=O)N(CCC[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC001292759528 1043864019 /nfs/dbraw/zinc/86/40/19/1043864019.db2.gz ZOSCGTMYHUBJEC-UHFFFAOYSA-N 2 0 379.548 3.674 20 30 GHEDRP N#Cc1ccc(Br)c(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001308346899 1049954448 /nfs/dbraw/zinc/95/44/48/1049954448.db2.gz NYSJZTGIECMYGN-UHFFFAOYSA-N 2 0 385.309 3.722 20 30 GHEDRP C#CCN(C)CCC[NH2+][C@H](C)COc1ccc2cc(Br)ccc2c1 ZINC001308793100 1050096176 /nfs/dbraw/zinc/09/61/76/1050096176.db2.gz OAWZGFRLJHVWSJ-MRXNPFEDSA-N 2 0 389.337 3.914 20 30 GHEDRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001332362588 1051507244 /nfs/dbraw/zinc/50/72/44/1051507244.db2.gz YTOHWHHAACYRCA-RBUKOAKNSA-N 2 0 392.588 3.627 20 30 GHEDRP N#Cc1ccc([C@H](O)C[NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC001473597289 1067570292 /nfs/dbraw/zinc/57/02/92/1067570292.db2.gz PTERCFWRFCETRS-XMMPIXPASA-N 2 0 389.543 3.970 20 30 GHEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(N(Cc2ccccc2)C2(C[NH3+])COC2)cc1 ZINC001167378615 839255622 /nfs/dbraw/zinc/25/56/22/839255622.db2.gz XLQKAUIZWZKVJF-QHCPKHFHSA-N 2 0 377.532 3.744 20 30 GHEDRP C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183198397 846525583 /nfs/dbraw/zinc/52/55/83/846525583.db2.gz XYBBKPSPBFESEH-SIKLNZKXSA-N 2 0 380.580 3.765 20 30 GHEDRP C=CCOCc1nn(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)c2c1C[NH2+]C2 ZINC001168045777 861933316 /nfs/dbraw/zinc/93/33/16/861933316.db2.gz KHCRFOWYMAEOQN-ROUUACIJSA-N 2 0 380.536 3.803 20 30 GHEDRP C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](CC)CC3)c(F)c2)cc1 ZINC000765852571 855663615 /nfs/dbraw/zinc/66/36/15/855663615.db2.gz NDQQWBPDKCGHDZ-LJQANCHMSA-N 2 0 395.522 3.830 20 30 GHEDRP N#Cc1ccc(C[NH+]2CCC(N(c3ccccn3)[C@H]3CC[C@H]([NH3+])CC3)CC2)cc1 ZINC000895110209 856082357 /nfs/dbraw/zinc/08/23/57/856082357.db2.gz DDMKSLJLYGVYTJ-HZCBDIJESA-N 2 0 389.547 3.694 20 30 GHEDRP CN(C(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1)C1(C#N)CCCCC1 ZINC000057843913 856235523 /nfs/dbraw/zinc/23/55/23/856235523.db2.gz XFPVKVGIGDBFBO-UHFFFAOYSA-N 2 0 396.579 3.515 20 30 GHEDRP COc1cc(C[NH+]2CCC[C@@H](CC#N)C2)cc(C[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595623298 858620624 /nfs/dbraw/zinc/62/06/24/858620624.db2.gz LZXYMVAREIZYIO-PMACEKPBSA-N 2 0 380.536 3.947 20 30 GHEDRP N#Cc1ccc(Br)c(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000922244242 859171311 /nfs/dbraw/zinc/17/13/11/859171311.db2.gz SAIIVWZDTYCXCH-UHFFFAOYSA-N 2 0 399.336 3.718 20 30 GHEDRP C[NH+]1CCC(C2CCN(Cc3ccc(Br)cc3C#N)CC2)CC1 ZINC001141814681 859611634 /nfs/dbraw/zinc/61/16/34/859611634.db2.gz MYOOQXRERNSQLZ-UHFFFAOYSA-N 2 0 376.342 3.875 20 30 GHEDRP CC[NH+](CC)CCCN1CC[NH+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170388791 881503857 /nfs/dbraw/zinc/50/38/57/881503857.db2.gz FOISABCLHNZIDJ-UHFFFAOYSA-N 2 0 382.596 3.740 20 30 GHEDRP CC(C)(C#N)C[C@H](O)C[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000598628037 860474865 /nfs/dbraw/zinc/47/48/65/860474865.db2.gz KORVFUJDQDSTCF-FCHUYYIVSA-N 2 0 383.580 3.910 20 30 GHEDRP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(CC#N)cc3)C2)ccn1 ZINC000856604436 881582349 /nfs/dbraw/zinc/58/23/49/881582349.db2.gz WYSQQZVKBXAKKC-QHCPKHFHSA-N 2 0 378.520 3.641 20 30 GHEDRP N#Cc1cccc(CN2CCC([NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)c1 ZINC000593692077 860883908 /nfs/dbraw/zinc/88/39/08/860883908.db2.gz YNJBZSQPSZDNGH-UHFFFAOYSA-N 2 0 380.580 3.909 20 30 GHEDRP CCCc1cc[n+](C(C(=O)c2ccccc2)C(=S)NC2CC[NH+](C)CC2)cc1 ZINC000063441373 864763147 /nfs/dbraw/zinc/76/31/47/864763147.db2.gz BAOKPYUXEWSNOX-UHFFFAOYSA-O 2 0 396.580 3.549 20 30 GHEDRP Cc1nnc(-c2cccc(C#N)c2)n1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000739839039 865815636 /nfs/dbraw/zinc/81/56/36/865815636.db2.gz WGTDUACSZWJWTB-UHFFFAOYSA-N 2 0 392.551 3.671 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CCC)CC1 ZINC000528449826 874596762 /nfs/dbraw/zinc/59/67/62/874596762.db2.gz REBJUCFRNWJYKM-FYYLOGMGSA-N 2 0 383.580 3.691 20 30 GHEDRP COc1cccc(C2([NH2+]CC#CC[NH2+]C3(c4cccc(OC)c4)CC3)CC2)c1 ZINC000551704385 877674384 /nfs/dbraw/zinc/67/43/84/877674384.db2.gz ZANUVUYMTGFACR-UHFFFAOYSA-N 2 0 376.500 3.565 20 30 GHEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(Cl)cc(C[NH2+][C@@H]2CCCO[C@H]2C=C)c1 ZINC000451683021 878336693 /nfs/dbraw/zinc/33/66/93/878336693.db2.gz QOAYRPAUXQAVQL-CZYKHXBRSA-N 2 0 390.955 3.986 20 30 GHEDRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000538397815 879419960 /nfs/dbraw/zinc/41/99/60/879419960.db2.gz XUVLZBXHXTXDLB-WOJBJXKFSA-N 2 0 382.596 3.869 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000106275060 885025413 /nfs/dbraw/zinc/02/54/13/885025413.db2.gz UCOQDRMSHHQNKQ-UHFFFAOYSA-N 2 0 398.595 3.581 20 30 GHEDRP N#Cc1ccnc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)c1Cl ZINC001170526636 885515218 /nfs/dbraw/zinc/51/52/18/885515218.db2.gz UHASOMCWDLWXIJ-UHFFFAOYSA-N 2 0 379.895 3.516 20 30 GHEDRP COc1ccc2c(c1)C[C@@H]([N@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168256615 886826395 /nfs/dbraw/zinc/82/63/95/886826395.db2.gz FGSUMXJJLAISAN-VABKMULXSA-N 2 0 375.516 3.806 20 30 GHEDRP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000123285010 890487761 /nfs/dbraw/zinc/48/77/61/890487761.db2.gz WJGQXQCGNVNYFX-HXUWFJFHSA-N 2 0 384.568 3.684 20 30 GHEDRP C[NH+](C)Cc1cc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)ccc1F ZINC000115624446 899203987 /nfs/dbraw/zinc/20/39/87/899203987.db2.gz AXKVDIRNXQBDKZ-UHFFFAOYSA-N 2 0 391.494 3.954 20 30 GHEDRP C[NH+]1C(C)(C)CC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1(C)C ZINC001172986398 906051136 /nfs/dbraw/zinc/05/11/36/906051136.db2.gz SWRRENOEEFWMKJ-WBVHZDCISA-N 2 0 378.561 3.519 20 30 GHEDRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000304499658 915526643 /nfs/dbraw/zinc/52/66/43/915526643.db2.gz RDEDUKDGAFPVFS-AVRDEDQJSA-N 2 0 392.547 3.847 20 30 GHEDRP Cn1cc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000798499553 932674549 /nfs/dbraw/zinc/67/45/49/932674549.db2.gz ZPYKOTITGDLJBV-RUZDIDTESA-N 2 0 399.542 3.961 20 30 GHEDRP C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000562096332 934694285 /nfs/dbraw/zinc/69/42/85/934694285.db2.gz QWGDRUSDGYVYDJ-KSFYIVLOSA-N 2 0 378.495 3.787 20 30 GHEDRP C[C@H](Oc1c(C[NH+](C)C)cc(C[NH+](C)C)cc1C[NH+](C)C)c1ccccc1C#N ZINC001227164100 1032302110 /nfs/dbraw/zinc/30/21/10/1032302110.db2.gz JAHUAHBWMQYPRI-SFHVURJKSA-N 3 0 394.563 3.883 20 30 GHEDRP N#CC1(c2ccc(-n3cc(CC[NH+]4CCC([NH3+])CC4)c4ccccc43)nc2)CCC1 ZINC001159461697 1034608442 /nfs/dbraw/zinc/60/84/42/1034608442.db2.gz YSYMRIJWJDHDPS-UHFFFAOYSA-N 2 0 399.542 3.936 20 30 GHEDRP N#Cc1cc(-c2ccnc(Cl)n2)c(-n2cc(CC[NH3+])c3c[nH+]ccc32)cc1F ZINC001160945823 1035100873 /nfs/dbraw/zinc/10/08/73/1035100873.db2.gz NWQPWTHUULKDMX-UHFFFAOYSA-N 2 0 392.825 3.648 20 30 GHEDRP C=CCCC[NH+]1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001209158973 1035195777 /nfs/dbraw/zinc/19/57/77/1035195777.db2.gz XTTAOIHDGSQQJB-HXUWFJFHSA-N 2 0 383.580 3.542 20 30 GHEDRP C=CCCCCCCC[N@@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001209442582 1035275009 /nfs/dbraw/zinc/27/50/09/1035275009.db2.gz XUWIRYCSOKKFPG-UHFFFAOYSA-N 2 0 389.588 3.623 20 30 GHEDRP N#Cc1c2c(cnc1-c1ccc(OCC[NH+]3CCCCC3)cc1)C[NH2+]CCC2 ZINC001241756516 1035676366 /nfs/dbraw/zinc/67/63/66/1035676366.db2.gz BPAIIPXPYZMOJR-UHFFFAOYSA-N 2 0 376.504 3.521 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC001246003841 1037122897 /nfs/dbraw/zinc/12/28/97/1037122897.db2.gz VIJPUEFOZACRKT-BDTNDASRSA-N 2 0 386.621 3.771 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@H](O)C[NH+]1CCC([NH3+])CC1 ZINC001246014190 1037134268 /nfs/dbraw/zinc/13/42/68/1037134268.db2.gz NCDWUCBGEIFFHW-JOCHJYFZSA-N 2 0 386.621 3.725 20 30 GHEDRP CCOC(=O)[C@@H]1CC2(C[N@@H+]1C1CCC(c3ccc(C#N)cc3)CC1)CC[NH2+]CC2 ZINC001246602443 1037499226 /nfs/dbraw/zinc/49/92/26/1037499226.db2.gz LJNZBLRQUQXDEX-HRTMPFAESA-N 2 0 395.547 3.592 20 30 GHEDRP CCCCCCCC[C@@H](O)C[NH2+]Cc1cccc(OCCN2CCOCC2)c1 ZINC001252119613 1038867197 /nfs/dbraw/zinc/86/71/97/1038867197.db2.gz BUGGPXXXRIFVJC-JOCHJYFZSA-N 2 0 392.584 3.599 20 30 GHEDRP N#Cc1ccc(Br)c(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)c1 ZINC001236961424 1041970772 /nfs/dbraw/zinc/97/07/72/1041970772.db2.gz GSFIOVUZUDTRJR-UHFFFAOYSA-N 2 0 376.342 3.922 20 30 GHEDRP Cc1cc(C#N)cc(C)c1C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC001308207094 1049912371 /nfs/dbraw/zinc/91/23/71/1049912371.db2.gz AINQZIZCPWNTRB-UHFFFAOYSA-N 2 0 376.548 3.867 20 30 GHEDRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)C[C@H](C)O1 ZINC000092587192 844121316 /nfs/dbraw/zinc/12/13/16/844121316.db2.gz UJCMUSHWVLXXKC-BGYRXZFFSA-N 2 0 385.552 3.690 20 30 GHEDRP C=CCOCc1nn(CC2CC2)c2c1C[N@H+]([C@H](C)CCC[NH+](CC)CC)CC2 ZINC001167825905 842047245 /nfs/dbraw/zinc/04/72/45/842047245.db2.gz ULVCACWAEKPBLX-LJQANCHMSA-N 2 0 388.600 3.864 20 30 GHEDRP C(#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1)C[NH+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661876459 842273517 /nfs/dbraw/zinc/27/35/17/842273517.db2.gz UDWIFJJOGNOQJQ-KIHHCIJBSA-N 2 0 388.596 3.552 20 30 GHEDRP C[NH+]=C(NCc1scnc1C)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000262004159 850555056 /nfs/dbraw/zinc/55/50/56/850555056.db2.gz VETBHIOHJPMTAO-VQTJNVASSA-N 2 0 397.592 3.513 20 30 GHEDRP C[C@H]1[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCN1Cc1ccccc1 ZINC000489862178 852613892 /nfs/dbraw/zinc/61/38/92/852613892.db2.gz WWHQVFJOYIBFQK-NBGIEHNGSA-N 2 0 388.559 3.775 20 30 GHEDRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@H]3CCc4ccc(C#N)cc43)cc2)C[C@H](C)O1 ZINC000573292283 856014317 /nfs/dbraw/zinc/01/43/17/856014317.db2.gz XHGGZVQSAJIVRM-RHGYRFJNSA-N 2 0 375.516 3.945 20 30 GHEDRP CCN(CC)c1ccc(/C=[NH+]\C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(O)c1 ZINC000760976913 856888682 /nfs/dbraw/zinc/88/86/82/856888682.db2.gz AICLBJYVBTVTND-NAZSJVEXSA-N 2 0 395.547 3.948 20 30 GHEDRP COC(=O)C1(C)CCC([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168770256 864865519 /nfs/dbraw/zinc/86/55/19/864865519.db2.gz DDFODTPSZKYLJY-FDNODPCQSA-N 2 0 383.536 3.752 20 30 GHEDRP COC1CC[NH+](C2(CNC(=[NH2+])Nc3cccc4c3CCCC4)CCCC2)CC1 ZINC000262503212 865483587 /nfs/dbraw/zinc/48/35/87/865483587.db2.gz AOGHGZYYQMLANK-UHFFFAOYSA-N 2 0 384.568 3.716 20 30 GHEDRP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3ccc(C#N)s3)cc2)C[C@@H]1C ZINC000539554030 869356845 /nfs/dbraw/zinc/35/68/45/869356845.db2.gz NWXPXMITTWQZCI-ROUUACIJSA-N 2 0 383.561 3.919 20 30 GHEDRP CCOC(=O)N1CCC[C@@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169671472 871768812 /nfs/dbraw/zinc/76/88/12/871768812.db2.gz GWXMSANWEAGFCU-YPAWHYETSA-N 2 0 398.551 3.641 20 30 GHEDRP CCOC(=O)N1CCC[C@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169671471 871769059 /nfs/dbraw/zinc/76/90/59/871769059.db2.gz GWXMSANWEAGFCU-FKBYEOEOSA-N 2 0 398.551 3.641 20 30 GHEDRP CC[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000447533280 871795177 /nfs/dbraw/zinc/79/51/77/871795177.db2.gz ZQJAEZYSFLIAQB-BJKOFHAPSA-N 2 0 376.548 3.978 20 30 GHEDRP COc1ccc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc1OCCCC#N ZINC000064614124 883753024 /nfs/dbraw/zinc/75/30/24/883753024.db2.gz TULDOOIITBMCPR-UHFFFAOYSA-N 2 0 397.519 3.608 20 30 GHEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H]1C ZINC000331377939 898440818 /nfs/dbraw/zinc/44/08/18/898440818.db2.gz FLTOCZFTJYECDC-CVEARBPZSA-N 2 0 388.581 3.632 20 30 GHEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000157391649 900498673 /nfs/dbraw/zinc/49/86/73/900498673.db2.gz BNXWFFACUQWNPE-QGZVFWFLSA-N 2 0 376.545 3.579 20 30 GHEDRP C=CCN1CC[C@@]2(C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C[C@@H]2c2ccccc2)C1=O ZINC001172115368 905368244 /nfs/dbraw/zinc/36/82/44/905368244.db2.gz AZPVUCQTRVWAHZ-JAWPICGBSA-N 2 0 393.575 3.506 20 30 GHEDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(OCC#N)cc3)cc2F)CC1 ZINC000181722352 907061730 /nfs/dbraw/zinc/06/17/30/907061730.db2.gz MKQJYSLQDSNUKW-SFHVURJKSA-N 2 0 396.510 3.721 20 30 GHEDRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccc(OCC#N)cc1 ZINC000245964192 910024530 /nfs/dbraw/zinc/02/45/30/910024530.db2.gz YRVKFOBHQVUIQZ-YKSBVNFPSA-N 2 0 392.547 3.618 20 30 GHEDRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=[NH2+])N[C@@H]3CCOc4ccccc43)cc2)C1 ZINC000304475951 915516363 /nfs/dbraw/zinc/51/63/63/915516363.db2.gz HJOKTTBONKKWAJ-PGRDOPGGSA-N 2 0 392.547 3.847 20 30 GHEDRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000304475374 915516651 /nfs/dbraw/zinc/51/66/51/915516651.db2.gz HBWABCYQGOLGCK-PGRDOPGGSA-N 2 0 392.547 3.989 20 30 GHEDRP CCc1ccc(NC(=[NH2+])NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cc1 ZINC000305733381 916308312 /nfs/dbraw/zinc/30/83/12/916308312.db2.gz OUYKRXPJIDNHDF-UHFFFAOYSA-N 2 0 391.563 3.708 20 30 GHEDRP C[NH+]1CCC2(CCC[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)CC1 ZINC000366949858 921834118 /nfs/dbraw/zinc/83/41/18/921834118.db2.gz DMMMPEXMVBJLOI-UHFFFAOYSA-N 2 0 377.536 3.772 20 30 GHEDRP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000799178806 932899291 /nfs/dbraw/zinc/89/92/91/932899291.db2.gz LGDJVBIQKXLIRE-NRFANRHFSA-N 2 0 396.579 3.746 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000468025872 1015161994 /nfs/dbraw/zinc/16/19/94/1015161994.db2.gz KWBPSPVGBLUWSY-DENIHFKCSA-N 2 0 386.584 3.702 20 30 GHEDRP C=CCCCCC[C@H]([NH3+])C(=O)N[C@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221202108 1032328245 /nfs/dbraw/zinc/32/82/45/1032328245.db2.gz SFVOWRZDCRJFAA-LEWJYISDSA-N 2 0 375.532 3.837 20 30 GHEDRP N#Cc1cnc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c(Cl)c1 ZINC001155357368 1032516126 /nfs/dbraw/zinc/51/61/26/1032516126.db2.gz FLYOYWMDXTVVNJ-LJQANCHMSA-N 2 0 395.938 3.520 20 30 GHEDRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])NCCc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000305679198 1021166212 /nfs/dbraw/zinc/16/62/12/1021166212.db2.gz MJMBHPZCCVSFCZ-FXAWDEMLSA-N 2 0 388.918 3.619 20 30 GHEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccccc2-c2cccnc2)CC1 ZINC001140318655 1021389171 /nfs/dbraw/zinc/38/91/71/1021389171.db2.gz HHXLFAJIEIZZRN-UHFFFAOYSA-N 2 0 376.548 3.540 20 30 GHEDRP C=CCOC(=O)N1CCC2(CCC[N@H+](Cc3ccc(-n4ccnc4)cc3)C2)CC1 ZINC001139357581 1026228836 /nfs/dbraw/zinc/22/88/36/1026228836.db2.gz AESIICZICULMPX-UHFFFAOYSA-N 2 0 394.519 3.873 20 30 GHEDRP N#Cc1ccnc(-c2ccc(C[N@H+]3C[C@H]4CN(Cc5ccccn5)C[C@H]4C3)cc2)c1 ZINC001139404022 1026276055 /nfs/dbraw/zinc/27/60/55/1026276055.db2.gz PHVBUOYTKNEPJZ-ZRZAMGCNSA-N 2 0 395.510 3.579 20 30 GHEDRP [NH2+]=C(Nc1ccc([C@]23CC[NH2+][C@H]2COCC3)cc1)c1ccc(C(F)(F)F)cc1 ZINC001163680099 1026280708 /nfs/dbraw/zinc/28/07/08/1026280708.db2.gz IQQXNXXRBJEEBI-AZUAARDMSA-N 2 0 389.421 3.762 20 30 GHEDRP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccc(C#N)c(F)c4)CC3)C2)cc1 ZINC001139528927 1026388001 /nfs/dbraw/zinc/38/80/01/1026388001.db2.gz YISVSCBNFFJAIS-UHFFFAOYSA-N 2 0 393.506 3.873 20 30 GHEDRP C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1cccc(C#N)c1)CC2 ZINC001203757545 1027580124 /nfs/dbraw/zinc/58/01/24/1027580124.db2.gz LYZSKCXGMODWHX-HXUWFJFHSA-N 2 0 381.545 3.875 20 30 GHEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC001142852614 1029584833 /nfs/dbraw/zinc/58/48/33/1029584833.db2.gz GEPFWQJZXDTNNE-UHFFFAOYSA-N 2 0 376.548 3.540 20 30 GHEDRP C=CC[N@H+]1CCc2c(Cl)c(OC3C[NH2+]C3)c(O)cc2[C@H](c2ccccc2)C1 ZINC001218052293 1030742670 /nfs/dbraw/zinc/74/26/70/1030742670.db2.gz GNSPBQGXWPRYER-IBGZPJMESA-N 2 0 384.907 3.572 20 30 GHEDRP C#Cc1cccc(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCC2CC2)c1 ZINC001231656044 1034812496 /nfs/dbraw/zinc/81/24/96/1034812496.db2.gz XFRASRMTKYUVRK-DQEYMECFSA-N 2 0 378.560 3.628 20 30 GHEDRP N#Cc1cc(Nc2cccc(F)c2OCC2CC[NH2+]CC2)cc(C2C[NH2+]C2)c1 ZINC001160195161 1034898223 /nfs/dbraw/zinc/89/82/23/1034898223.db2.gz MKDAMEHNVMKORD-UHFFFAOYSA-N 2 0 380.467 3.506 20 30 GHEDRP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(N(C)CCC#N)cc4)C[C@H]3C2)cc1 ZINC001231818200 1034927433 /nfs/dbraw/zinc/92/74/33/1034927433.db2.gz RUSLBOFOGHKKLE-DNQXCXABSA-N 2 0 388.559 3.909 20 30 GHEDRP CC(C)(C)OC(=O)c1ccc(C[NH+]2CCC(C[NH+]3CC(CC#N)C3)CC2)cc1 ZINC001208815939 1035037527 /nfs/dbraw/zinc/03/75/27/1035037527.db2.gz RKXNFHACQGDKAY-UHFFFAOYSA-N 2 0 383.536 3.699 20 30 GHEDRP N#Cc1ccc(CC[N@H+]2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)cc1 ZINC001208926403 1035091671 /nfs/dbraw/zinc/09/16/71/1035091671.db2.gz GVRPPMVIZNDLJY-QFIPXVFZSA-N 2 0 396.485 3.729 20 30 GHEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC001209119073 1035181574 /nfs/dbraw/zinc/18/15/74/1035181574.db2.gz NKLDXRLOQSNGOE-UHFFFAOYSA-N 2 0 381.486 3.540 20 30 GHEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001161575666 1035262226 /nfs/dbraw/zinc/26/22/26/1035262226.db2.gz MIIVPQSBWVFESI-VJBWXMMDSA-N 2 0 383.580 3.821 20 30 GHEDRP COC(=O)c1ccc(C(=[NH2+])NC2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001246305258 1037286291 /nfs/dbraw/zinc/28/62/91/1037286291.db2.gz MAFYJDXSLNWBMH-QRTHJKPMSA-N 2 0 379.504 3.620 20 30 GHEDRP COc1ccccc1CC1(C[NH2+][C@H](C)Cc2cccc(C#N)c2)CC[NH2+]CC1 ZINC001246422674 1037380145 /nfs/dbraw/zinc/38/01/45/1037380145.db2.gz XXDBVAQUBPWFPI-LJQANCHMSA-N 2 0 377.532 3.700 20 30 GHEDRP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3CC[NH2+][C@H](CCCC)C3)C2)CC1 ZINC001246526770 1037457489 /nfs/dbraw/zinc/45/74/89/1037457489.db2.gz QXGIMMPYRKNDEF-WOJBJXKFSA-N 2 0 377.573 3.798 20 30 GHEDRP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](Cc1ccc(C#N)s1)CC2 ZINC001232842380 1038593488 /nfs/dbraw/zinc/59/34/88/1038593488.db2.gz BHWBTQVZFOAYMS-LJQANCHMSA-N 2 0 396.560 3.518 20 30 GHEDRP C[N@@H+]1CC[C@]23CCCC[C@@H]2[C@H]1Cc1ccc(O[C@H](CC#N)C[N+](C)(C)C)cc13 ZINC001233939832 1039715323 /nfs/dbraw/zinc/71/53/23/1039715323.db2.gz ULVPCYDHLJZKET-LUGTWXOSSA-N 2 0 382.572 3.742 20 30 GHEDRP N#Cc1ccc(C2CC[NH+](CC3(O)CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC001254040914 1039969926 /nfs/dbraw/zinc/96/99/26/1039969926.db2.gz DEBQYMNMBIRRAK-UHFFFAOYSA-N 2 0 389.543 3.765 20 30 GHEDRP COCC[N@H+](Cc1ccc(N(C)c2ccc(C#N)cc2)cc1)C1CC[NH2+]CC1 ZINC001235946539 1041451477 /nfs/dbraw/zinc/45/14/77/1041451477.db2.gz LBPHEFCAZIYAII-UHFFFAOYSA-N 2 0 378.520 3.527 20 30 GHEDRP N#Cc1ccc(OC2CC[NH+](Cc3ccc4c(c3)CC[NH2+]C4)CC2)cc1Cl ZINC001235970388 1041475643 /nfs/dbraw/zinc/47/56/43/1041475643.db2.gz KULQHUUYWWONQA-UHFFFAOYSA-N 2 0 381.907 3.901 20 30 GHEDRP CCCCCCC[C@@H](C)[N@@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001258046956 1044370084 /nfs/dbraw/zinc/37/00/84/1044370084.db2.gz GHEZWNGFFZRBSC-HXUWFJFHSA-N 2 0 391.604 3.845 20 30 GHEDRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001332362589 1051506372 /nfs/dbraw/zinc/50/63/72/1051506372.db2.gz YTOHWHHAACYRCA-RTBURBONSA-N 2 0 392.588 3.627 20 30 GHEDRP N#CC1(c2ccccc2)CC([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC001320869907 1055993763 /nfs/dbraw/zinc/99/37/63/1055993763.db2.gz CQPDFIINCQQDHP-UHFFFAOYSA-N 2 0 375.516 3.875 20 30 GHEDRP C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC001348957536 1063442599 /nfs/dbraw/zinc/44/25/99/1063442599.db2.gz ISUNAYCTWSCIGN-WIYYLYMNSA-N 2 0 376.504 3.530 20 30 GHEDRP C[NH+]1CCN(C[C@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)c2ccccc2)CC1 ZINC000579905657 837187304 /nfs/dbraw/zinc/18/73/04/837187304.db2.gz RQECPDHKFHKAJC-DQEYMECFSA-N 2 0 388.559 3.904 20 30 GHEDRP C=CC[C@]1(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CCC[NH2+]1 ZINC000662728213 841496361 /nfs/dbraw/zinc/49/63/61/841496361.db2.gz JMLYIVFCDAQEJE-HXUWFJFHSA-N 2 0 396.362 3.772 20 30 GHEDRP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433124283 845453110 /nfs/dbraw/zinc/45/31/10/845453110.db2.gz AYTFGKVNJGHYGI-OAQYLSRUSA-N 2 0 381.564 3.564 20 30 GHEDRP CC[NH+]1CCC(C[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000924953493 847621743 /nfs/dbraw/zinc/62/17/43/847621743.db2.gz CFLYDJNZCUFOIM-GOSISDBHSA-N 2 0 392.588 3.627 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1OCC ZINC000414865630 850045603 /nfs/dbraw/zinc/04/56/03/850045603.db2.gz ZHTSHHZMHUQHBS-ZBFHGGJFSA-N 2 0 397.357 3.890 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000414795703 850533588 /nfs/dbraw/zinc/53/35/88/850533588.db2.gz GYWMLASBKSZCNP-HOCLYGCPSA-N 2 0 383.330 3.630 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000414991831 853479575 /nfs/dbraw/zinc/47/95/75/853479575.db2.gz JXPVGJHBZAHFSR-HIFRSBDPSA-N 2 0 383.330 3.630 20 30 GHEDRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C(=O)Nc1ccccc1C#N ZINC000056156186 855485244 /nfs/dbraw/zinc/48/52/44/855485244.db2.gz YBUZWCRYCLFWOJ-MOPGFXCFSA-N 2 0 390.531 3.907 20 30 GHEDRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3cnc4ccc(C#N)cn34)cc2)C1 ZINC000123321258 856789574 /nfs/dbraw/zinc/78/95/74/856789574.db2.gz VJSDXHIHHXKVPW-RTBURBONSA-N 2 0 387.531 3.974 20 30 GHEDRP C[NH+]1CCN(c2ccc(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)cc2)CC1 ZINC001170359428 881419961 /nfs/dbraw/zinc/41/99/61/881419961.db2.gz XDGGAXXUBCAZEW-UHFFFAOYSA-N 2 0 388.559 3.932 20 30 GHEDRP CC(C)(C)OC(=O)N[C@@H](CCC[NH3+])[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170365067 881430890 /nfs/dbraw/zinc/43/08/90/881430890.db2.gz NVMWOSYDGFFECR-LVIWNVNYSA-N 2 0 386.540 3.570 20 30 GHEDRP C[NH+](C)CCOc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000611268870 859674825 /nfs/dbraw/zinc/67/48/25/859674825.db2.gz WDPWFNCHMYBHAE-UHFFFAOYSA-N 2 0 379.504 3.542 20 30 GHEDRP C=C(C)COc1cccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)c1 ZINC000607057743 864018417 /nfs/dbraw/zinc/01/84/17/864018417.db2.gz KAXQQXZKTWNPOG-HXUWFJFHSA-N 2 0 388.556 3.521 20 30 GHEDRP CCOCCC[N@@H+]1CC[C@H](/[NH+]=C\c2ccc(N(CC)CC)cc2O)[C@H](C)C1 ZINC000734366230 864178549 /nfs/dbraw/zinc/17/85/49/864178549.db2.gz JMFXYIVBYVJVMK-ZRZUITRJSA-N 2 0 375.557 3.794 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000171728763 865345736 /nfs/dbraw/zinc/34/57/36/865345736.db2.gz QVTXCHLMBWDPPD-UHFFFAOYSA-N 2 0 384.568 3.512 20 30 GHEDRP C[NH+](C)CCOC1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000538732195 870464300 /nfs/dbraw/zinc/46/43/00/870464300.db2.gz RMRLCCMTAVKZPQ-UHFFFAOYSA-N 2 0 393.531 3.680 20 30 GHEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181513260 871125653 /nfs/dbraw/zinc/12/56/53/871125653.db2.gz SIUBPQVQDVHOKE-OYRHEFFESA-N 2 0 382.596 3.870 20 30 GHEDRP C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000237634961 877725391 /nfs/dbraw/zinc/72/53/91/877725391.db2.gz MCSYIZXVXCNMEQ-AABGKKOBSA-N 2 0 393.531 3.876 20 30 GHEDRP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000538393567 879413266 /nfs/dbraw/zinc/41/32/66/879413266.db2.gz OUYOKWJCOBIBKX-NBGIEHNGSA-N 2 0 388.559 3.948 20 30 GHEDRP N#CC1(c2ccc(-n3cc(CC[NH+]4CCC([NH3+])CC4)c4ccccc43)nc2)CC1 ZINC001170524256 885439840 /nfs/dbraw/zinc/43/98/40/885439840.db2.gz IMQWNMQCMPUUIK-UHFFFAOYSA-N 2 0 385.515 3.546 20 30 GHEDRP N#Cc1ccc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)c2cc[nH]c21 ZINC001170528415 885553542 /nfs/dbraw/zinc/55/35/42/885553542.db2.gz LKCJWDMMTXPWLB-UHFFFAOYSA-N 2 0 383.499 3.949 20 30 GHEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(N3CC[NH+](CC4CC4)CC3)cc1)CC2 ZINC000810228494 888306047 /nfs/dbraw/zinc/30/60/47/888306047.db2.gz GRMXHEJMKHMGAN-RUZDIDTESA-N 2 0 386.543 3.867 20 30 GHEDRP C=C(C)CN1CCC([NH2+]Cc2cc(Br)c(O)c(OCC)c2)CC1 ZINC000459406552 893444001 /nfs/dbraw/zinc/44/40/01/893444001.db2.gz UHSJUUOQAXHDNK-UHFFFAOYSA-N 2 0 383.330 3.684 20 30 GHEDRP CO[C@H]1CCC[NH+](Cc2cc(C#N)cc(C[N@H+]3CCC[C@H](OC)CC3)c2)CC1 ZINC000878401036 894262061 /nfs/dbraw/zinc/26/20/61/894262061.db2.gz KOZSRQJAAKGYSH-GOTSBHOMSA-N 2 0 385.552 3.560 20 30 GHEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000817918360 895961013 /nfs/dbraw/zinc/96/10/13/895961013.db2.gz LGDQKXIDSHTWIG-AAIMPIBUSA-N 2 0 377.488 3.713 20 30 GHEDRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000819100716 896376482 /nfs/dbraw/zinc/37/64/82/896376482.db2.gz REUMGXHHJKARFY-QHCPKHFHSA-N 2 0 375.472 3.606 20 30 GHEDRP CCC1(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000819190397 896459983 /nfs/dbraw/zinc/45/99/83/896459983.db2.gz PBGCXDIGYCBOLS-QHCPKHFHSA-N 2 0 377.532 3.874 20 30 GHEDRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000569651948 898852613 /nfs/dbraw/zinc/85/26/13/898852613.db2.gz VJIZMQRCQFAGBW-UHFFFAOYSA-N 2 0 391.437 3.850 20 30 GHEDRP C[N@H+](Cc1ccccc1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)C1CCCCC1 ZINC000884176917 899201989 /nfs/dbraw/zinc/20/19/89/899201989.db2.gz VCKIHNDQQYQIOZ-FVRICEFQSA-N 2 0 380.536 3.529 20 30 GHEDRP C#Cc1ccc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4cccs4)CO3)CC2)cc1 ZINC001144568766 902399469 /nfs/dbraw/zinc/39/94/69/902399469.db2.gz DQHJVASJCSAEJS-NRFANRHFSA-N 2 0 380.557 3.985 20 30 GHEDRP C[N@H+](Cc1ccccc1C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C1CCCCC1 ZINC000600720352 902843463 /nfs/dbraw/zinc/84/34/63/902843463.db2.gz OTZNHDFNLFLRMR-QHCPKHFHSA-N 2 0 399.579 3.612 20 30 GHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000773068324 904411894 /nfs/dbraw/zinc/41/18/94/904411894.db2.gz ISLBDNHJYLTYEC-ZLGUVYLKSA-N 2 0 378.944 3.846 20 30 GHEDRP CC(C)(C)C[NH+]1CCC(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172973913 906039289 /nfs/dbraw/zinc/03/92/89/906039289.db2.gz JDBYBIQYKWWSNU-OALUTQOASA-N 2 0 392.588 3.626 20 30 GHEDRP CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H]1C#N ZINC001172978113 906044484 /nfs/dbraw/zinc/04/44/84/906044484.db2.gz LVNPZUZINVZJSB-AFYVEPGGSA-N 2 0 390.572 3.793 20 30 GHEDRP C=CCOC1CCC([NH+]2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)CC1 ZINC001173319890 906388809 /nfs/dbraw/zinc/38/88/09/906388809.db2.gz AAXMDTBGAYISGS-UHFFFAOYSA-N 2 0 399.579 3.510 20 30 GHEDRP C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411512690 926469413 /nfs/dbraw/zinc/46/94/13/926469413.db2.gz BNQNGKXZHADUIA-RDJZCZTQSA-N 2 0 388.943 3.783 20 30 GHEDRP N#Cc1cc(C(F)(F)F)ccc1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000467796987 929432143 /nfs/dbraw/zinc/43/21/43/929432143.db2.gz RUNWXCQCQHPINZ-UHFFFAOYSA-N 2 0 389.425 3.596 20 30 GHEDRP CCC[NH+]1CCC([NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000924580025 931428521 /nfs/dbraw/zinc/42/85/21/931428521.db2.gz SEOQQRVAPTWIPU-GOSISDBHSA-N 2 0 392.588 3.770 20 30 GHEDRP COc1ccc(C[NH+]2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c(C#N)c1 ZINC001137700896 935732132 /nfs/dbraw/zinc/73/21/32/935732132.db2.gz DFEPHMDPWPGZLZ-UHFFFAOYSA-N 2 0 390.531 3.838 20 30 GHEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC001137395057 1022073256 /nfs/dbraw/zinc/07/32/56/1022073256.db2.gz KOTHZVYEYTZLRQ-UHFFFAOYSA-N 2 0 376.548 3.540 20 30 GHEDRP C[NH+]1CCN(c2ccc(Nc3ccc(C[NH2+]C(C)(C)C)cc3)cc2C#N)CC1 ZINC001204690589 1033031397 /nfs/dbraw/zinc/03/13/97/1033031397.db2.gz CJWFCBKIBBVHNQ-UHFFFAOYSA-N 2 0 377.536 3.942 20 30 GHEDRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)cc1 ZINC001138772784 1025343105 /nfs/dbraw/zinc/34/31/05/1025343105.db2.gz BSDGSEUAGNIXSB-QHCPKHFHSA-N 2 0 379.504 3.542 20 30 GHEDRP N#Cc1c[nH]c2cc(NC[C@H]3C[N@H+](Cc4ccccc4)CC34CC[NH2+]CC4)ccc12 ZINC001162935845 1025973477 /nfs/dbraw/zinc/97/34/77/1025973477.db2.gz WONRYQPWEQWVGG-NRFANRHFSA-N 2 0 399.542 3.953 20 30 GHEDRP [NH2+]=C(Nc1ccc([C@@]23CC[NH2+][C@H]2COCC3)cc1)c1ccc(C(F)(F)F)cc1 ZINC001163680102 1026281188 /nfs/dbraw/zinc/28/11/88/1026281188.db2.gz IQQXNXXRBJEEBI-ICSRJNTNSA-N 2 0 389.421 3.762 20 30 GHEDRP C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)CC2 ZINC001208934168 1035098448 /nfs/dbraw/zinc/09/84/48/1035098448.db2.gz HWTQNLBPBFOUER-NOZRDPDXSA-N 2 0 395.591 3.932 20 30 GHEDRP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208936622 1035103772 /nfs/dbraw/zinc/10/37/72/1035103772.db2.gz ODCBWZBJDNKLSO-UBFVSLLYSA-N 2 0 398.591 3.972 20 30 GHEDRP C=CCCCCC[NH+]1CCC2(C[C@@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001209423890 1035272008 /nfs/dbraw/zinc/27/20/08/1035272008.db2.gz GCPIZIOFFYCQLU-QFIPXVFZSA-N 2 0 378.601 3.962 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]C[C@@H]([NH3+])C(C)C ZINC001245999437 1037112143 /nfs/dbraw/zinc/11/21/43/1037112143.db2.gz ADKCCPAFWYYEJP-FGZHOGPDSA-N 2 0 388.637 3.874 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC001245989275 1037112611 /nfs/dbraw/zinc/11/26/11/1037112611.db2.gz FMZAAXSNPOMPOX-FKBYEOEOSA-N 2 0 386.621 3.628 20 30 GHEDRP CCCCCCCC[C@@H](O)C[N@@H+]1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001246037484 1037152909 /nfs/dbraw/zinc/15/29/09/1037152909.db2.gz AUXZIIPWZKEQFQ-HXUWFJFHSA-N 2 0 376.589 3.842 20 30 GHEDRP CCCCCCCC[C@H](O)C[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001252127868 1038878112 /nfs/dbraw/zinc/87/81/12/1038878112.db2.gz GGCWVVVUOZCVAO-QFIPXVFZSA-N 2 0 390.616 3.839 20 30 GHEDRP CN(C)c1ccc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)c(F)c1C#N ZINC001233102409 1038883361 /nfs/dbraw/zinc/88/33/61/1038883361.db2.gz YKVSWAJMOMAMNK-UHFFFAOYSA-N 2 0 392.522 3.861 20 30 GHEDRP N#C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3Br)CC2)C1 ZINC001254648435 1040418356 /nfs/dbraw/zinc/41/83/56/1040418356.db2.gz IHHYNNXNKMTTPL-AEFFLSMTSA-N 2 0 376.342 3.943 20 30 GHEDRP N#C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3Br)CC2)C1 ZINC001254648445 1040418418 /nfs/dbraw/zinc/41/84/18/1040418418.db2.gz IHHYNNXNKMTTPL-WMZOPIPTSA-N 2 0 376.342 3.943 20 30 GHEDRP N#Cc1ccc(N2CCC[N@@H+]([C@H]3CCC[NH+](Cc4ccccc4)CC3)CC2)nc1 ZINC001255403255 1040990115 /nfs/dbraw/zinc/99/01/15/1040990115.db2.gz CCJYBUYALNTCIS-QHCPKHFHSA-N 2 0 389.547 3.520 20 30 GHEDRP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001255959886 1041438515 /nfs/dbraw/zinc/43/85/15/1041438515.db2.gz BGWPAMATYGWBJV-URXFXBBRSA-N 2 0 398.595 3.597 20 30 GHEDRP N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@H+](Cc2ccc3n2CC[NH2+]C3)C1 ZINC001236159690 1041583330 /nfs/dbraw/zinc/58/33/30/1041583330.db2.gz VNXCHMZFKSBAMK-HSZRJFAPSA-N 2 0 396.538 3.923 20 30 GHEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2cccnc2)C1 ZINC001258728112 1044734218 /nfs/dbraw/zinc/73/42/18/1044734218.db2.gz LIOZFGBPWQFZAN-NKKJXINNSA-N 2 0 383.580 3.987 20 30 GHEDRP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H](C)CCC[NH+](CC)CC)CC2 ZINC001258907995 1044861944 /nfs/dbraw/zinc/86/19/44/1044861944.db2.gz PQFINQMKPALJLR-FQEVSTJZSA-N 2 0 379.589 3.998 20 30 GHEDRP COc1cc(C#N)ccc1OCCN(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000581551810 837539399 /nfs/dbraw/zinc/53/93/99/837539399.db2.gz ZWZWHZYQPXWXBV-LJQANCHMSA-N 2 0 399.560 3.770 20 30 GHEDRP CC[NH+](CC)CC1CC[NH+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000047977853 834452777 /nfs/dbraw/zinc/45/27/77/834452777.db2.gz XXSUBPIIXWFTIY-UHFFFAOYSA-N 2 0 384.568 3.604 20 30 GHEDRP FC(F)(F)c1ccc(C#CC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000177362092 837923116 /nfs/dbraw/zinc/92/31/16/837923116.db2.gz OOXYXIIBSMNSNX-UHFFFAOYSA-N 2 0 380.454 3.634 20 30 GHEDRP N#CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000248405783 845303635 /nfs/dbraw/zinc/30/36/35/845303635.db2.gz RTKRNFGTXKWVCR-OEMFJLHTSA-N 2 0 375.516 3.979 20 30 GHEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000481918314 862515336 /nfs/dbraw/zinc/51/53/36/862515336.db2.gz GVYCRIMRAZCQGY-XMMPIXPASA-N 2 0 389.547 3.523 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000171710835 856238658 /nfs/dbraw/zinc/23/86/58/856238658.db2.gz ABFPUIATRAGDKL-BGYRXZFFSA-N 2 0 398.595 3.614 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000592294722 856767248 /nfs/dbraw/zinc/76/72/48/856767248.db2.gz IZIVJZDOIQSEPM-FQEVSTJZSA-N 2 0 398.595 3.901 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000592313420 856775820 /nfs/dbraw/zinc/77/58/20/856775820.db2.gz JLNPICFPMQGLSW-HXUWFJFHSA-N 2 0 399.579 3.710 20 30 GHEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]Cc3cnc4ccc(C#N)cn34)cc2)C1 ZINC000123320806 856788588 /nfs/dbraw/zinc/78/85/88/856788588.db2.gz VJSDXHIHHXKVPW-KDURUIRLSA-N 2 0 387.531 3.974 20 30 GHEDRP C[NH+]1CCN(C[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)c2ccccc2)CC1 ZINC000594503277 858195137 /nfs/dbraw/zinc/19/51/37/858195137.db2.gz UGGBIBWZRUOZHE-QHCPKHFHSA-N 2 0 376.548 3.566 20 30 GHEDRP COc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ccc1C#N ZINC000521945004 858477665 /nfs/dbraw/zinc/47/76/65/858477665.db2.gz ZPXMNUAEEOYRFY-RJGXRXQPSA-N 2 0 375.516 3.957 20 30 GHEDRP N#Cc1ccc2ncc(C[NH2+]CC3CC[NH+](Cc4ccccc4Cl)CC3)n2c1 ZINC000123683351 860040018 /nfs/dbraw/zinc/04/00/18/860040018.db2.gz YEGJGFMNDAZLPL-UHFFFAOYSA-N 2 0 393.922 3.861 20 30 GHEDRP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000192935173 860267220 /nfs/dbraw/zinc/26/72/20/860267220.db2.gz OFHMOEXWXVKVBV-NRFANRHFSA-N 2 0 385.515 3.570 20 30 GHEDRP C=CCOc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1OC ZINC000904476222 860468527 /nfs/dbraw/zinc/46/85/27/860468527.db2.gz SOXCGAOQDCXMAJ-WMZHIEFXSA-N 2 0 380.488 3.606 20 30 GHEDRP CN1CCC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000598719738 860527732 /nfs/dbraw/zinc/52/77/32/860527732.db2.gz KTKTWMPOZRPCMO-NZSAHSFTSA-N 2 0 397.485 3.979 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1OCC ZINC000414911323 864503376 /nfs/dbraw/zinc/50/33/76/864503376.db2.gz DUFYHHHRQBDHAT-LSDHHAIUSA-N 2 0 383.330 3.772 20 30 GHEDRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000120823705 881775059 /nfs/dbraw/zinc/77/50/59/881775059.db2.gz GTRYXFVUYXDELK-FQEVSTJZSA-N 2 0 379.552 3.921 20 30 GHEDRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)CC#Cc3ccc(F)cc3)cc2)C[C@H](C)O1 ZINC001195650474 872558197 /nfs/dbraw/zinc/55/81/97/872558197.db2.gz PBALIMGXBBQQPA-BGYRXZFFSA-N 2 0 380.507 3.918 20 30 GHEDRP C[C@H]1C[NH+](CCC2CC[NH+](CCCOc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000477303578 877403737 /nfs/dbraw/zinc/40/37/37/877403737.db2.gz PLERVQCWNUAJBS-PMACEKPBSA-N 2 0 385.552 3.538 20 30 GHEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000237634868 877725305 /nfs/dbraw/zinc/72/53/05/877725305.db2.gz MCSYIZXVXCNMEQ-SLFFLAALSA-N 2 0 393.531 3.876 20 30 GHEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000179738554 877954596 /nfs/dbraw/zinc/95/45/96/877954596.db2.gz VWQBLDMYEANXJA-UHFFFAOYSA-N 2 0 397.523 3.522 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1OCC ZINC000666855382 893656013 /nfs/dbraw/zinc/65/60/13/893656013.db2.gz PDWSQPSIJBEJSQ-OAHLLOKOSA-N 2 0 383.330 3.644 20 30 GHEDRP CC(=O)[C@@](C#N)(CCN1CCC[C@H](C[NH+]2CCC(C)CC2)C1)c1ccccc1 ZINC000878018139 893951055 /nfs/dbraw/zinc/95/10/55/893951055.db2.gz SBLSSLDJCYDPQC-UPVQGACJSA-N 2 0 381.564 3.871 20 30 GHEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000571468840 899877910 /nfs/dbraw/zinc/87/79/10/899877910.db2.gz SMMKHLMPXYNCTM-UPVQGACJSA-N 2 0 375.516 3.682 20 30 GHEDRP N#Cc1ccc(C[NH+]2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)nc1 ZINC001144166780 901212498 /nfs/dbraw/zinc/21/24/98/901212498.db2.gz VYAYPGZSBUGDMP-UHFFFAOYSA-N 2 0 390.531 3.599 20 30 GHEDRP C=CCOCc1nn([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c2c1C[NH2+]C2 ZINC001172073393 905276088 /nfs/dbraw/zinc/27/60/88/905276088.db2.gz VXJYMNWDBUXEOC-WKCHPHFGSA-N 2 0 392.547 3.947 20 30 GHEDRP CC(C)(C)C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172973922 906039596 /nfs/dbraw/zinc/03/95/96/906039596.db2.gz JFPZRQOTXKDULJ-MKXGPGLRSA-N 2 0 392.588 3.896 20 30 GHEDRP N#CCC1CCC([N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)CC1 ZINC001173334128 906377036 /nfs/dbraw/zinc/37/70/36/906377036.db2.gz VDGDAABZCIJVBP-DZXJHWIPSA-N 2 0 385.596 3.919 20 30 GHEDRP C[NH+]=C(NCc1ccc(C)s1)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000081983903 908938051 /nfs/dbraw/zinc/93/80/51/908938051.db2.gz YNZCOCOJYCGZNY-YJBOKZPZSA-N 2 0 376.595 3.866 20 30 GHEDRP N#Cc1ccc([C@H](O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000248008084 911589879 /nfs/dbraw/zinc/58/98/79/911589879.db2.gz KZWHCXKZPMNNET-RBZQAINGSA-N 2 0 375.516 3.578 20 30 GHEDRP C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000248447753 912108359 /nfs/dbraw/zinc/10/83/59/912108359.db2.gz NPGFXJAYIHHSSJ-XXBNENTESA-N 2 0 378.516 3.506 20 30 GHEDRP COc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1Cl ZINC000303866075 915223909 /nfs/dbraw/zinc/22/39/09/915223909.db2.gz CFZLFXIFHMFUNB-KRWDZBQOSA-N 2 0 386.927 3.640 20 30 GHEDRP C[C@H]1CCCC[N@@H+]1CCCCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000304504420 915526963 /nfs/dbraw/zinc/52/69/63/915526963.db2.gz TUODRBDYADMTHQ-HNNXBMFYSA-N 2 0 386.462 3.644 20 30 GHEDRP [NH2+]=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000304739445 915668705 /nfs/dbraw/zinc/66/87/05/915668705.db2.gz BFFATZBJTAAGSQ-IBGZPJMESA-N 2 0 386.540 3.619 20 30 GHEDRP N#Cc1ccc(CN2CCC([NH2+][C@@H](c3ccccc3)[C@@H]3CCOC3)CC2)cc1 ZINC000362043292 917049913 /nfs/dbraw/zinc/04/99/13/917049913.db2.gz WNYICQLYAAUPTG-VWNXMTODSA-N 2 0 375.516 3.890 20 30 GHEDRP C#CCOc1ccc(Br)cc1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000749822779 927299620 /nfs/dbraw/zinc/29/96/20/927299620.db2.gz MPSQRRXVEINODF-UHFFFAOYSA-N 2 0 379.342 3.671 20 30 GHEDRP CCC[NH+]1CCC([NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000924580029 931428299 /nfs/dbraw/zinc/42/82/99/931428299.db2.gz SEOQQRVAPTWIPU-SFHVURJKSA-N 2 0 392.588 3.770 20 30 GHEDRP Cc1c(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc2c[nH+]cn21 ZINC001123092436 935076741 /nfs/dbraw/zinc/07/67/41/935076741.db2.gz LFGKUFWZDDLLFH-UHFFFAOYSA-N 2 0 388.471 3.606 20 30 GHEDRP C[NH+]1CCC(C2CC[NH+](Cc3ccc(C#N)cc3Br)CC2)CC1 ZINC001137638217 935653736 /nfs/dbraw/zinc/65/37/36/935653736.db2.gz WRPIJEFYBAPSGC-UHFFFAOYSA-N 2 0 376.342 3.875 20 30 GHEDRP N#CCc1c(F)cccc1NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162940948 1025977312 /nfs/dbraw/zinc/97/73/12/1025977312.db2.gz BQSYJEPRTJVJLO-FQEVSTJZSA-N 2 0 392.522 3.805 20 30 GHEDRP N#Cc1cc(Nc2ccc(OCC3CC[NH2+]CC3)c(F)c2)cc(C2C[NH2+]C2)c1 ZINC001159881018 1034772792 /nfs/dbraw/zinc/77/27/92/1034772792.db2.gz LSBIECWNUGKBEH-UHFFFAOYSA-N 2 0 380.467 3.506 20 30 GHEDRP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)CC1 ZINC001208174426 1034773039 /nfs/dbraw/zinc/77/30/39/1034773039.db2.gz DVNLYSGUHBHZFU-WXFUMESZSA-N 2 0 387.612 3.550 20 30 GHEDRP C=CCOC[C@]12CCCO[C@H]1CC[N@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208936615 1035103069 /nfs/dbraw/zinc/10/30/69/1035103069.db2.gz ODCBWZBJDNKLSO-CCDWMCETSA-N 2 0 398.591 3.972 20 30 GHEDRP N#Cc1cccc(O[C@H]2CCC[N@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001208955003 1035127569 /nfs/dbraw/zinc/12/75/69/1035127569.db2.gz XOFCYHOZJBMLOH-VWNXMTODSA-N 2 0 375.516 3.924 20 30 GHEDRP C=CCCCCCCC[NH+]1CCC(N2CCC([NH+]3CCN(C)CC3)CC2)CC1 ZINC001209441333 1035275178 /nfs/dbraw/zinc/27/51/78/1035275178.db2.gz HWLUKEUDZVYPEO-UHFFFAOYSA-N 2 0 390.660 3.689 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]CCC1C[NH2+]C1 ZINC001245987905 1037109408 /nfs/dbraw/zinc/10/94/08/1037109408.db2.gz MWFWVYUEXXTNHW-JOCHJYFZSA-N 2 0 386.621 3.501 20 30 GHEDRP C=CCOC(=O)N1CCC2(CCC[N@@H+](C3C[C@H](CC)[NH2+][C@@H](CC)C3)C2)CC1 ZINC001246525857 1037458829 /nfs/dbraw/zinc/45/88/29/1037458829.db2.gz LYWXDCFNGQCNKJ-OALUTQOASA-N 2 0 377.573 3.796 20 30 GHEDRP N#Cc1ccc(C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001254588196 1040362842 /nfs/dbraw/zinc/36/28/42/1040362842.db2.gz WKFCOZPMTINIOF-FUDKSRODSA-N 2 0 390.487 3.706 20 30 GHEDRP C=CCOC(=O)N1CCCC2(CC[NH+](C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC001255673948 1041205588 /nfs/dbraw/zinc/20/55/88/1041205588.db2.gz IWYGFLLJBZKWNO-YOFSQIOKSA-N 2 0 375.557 3.502 20 30 GHEDRP N#Cc1ccccc1OC1CC[NH+](Cc2cn3c4c2cccc4C[NH2+]CC3)CC1 ZINC001235975953 1041481875 /nfs/dbraw/zinc/48/18/75/1041481875.db2.gz PJOSJTIHCBGEDZ-UHFFFAOYSA-N 2 0 386.499 3.660 20 30 GHEDRP COc1ccccc1C[N@H+](Cc1ccc(C#N)cc1OC)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236711961 1041848440 /nfs/dbraw/zinc/84/84/40/1041848440.db2.gz YDGVWIAEXCGRSP-MEMLXQNLSA-N 2 0 379.504 3.848 20 30 GHEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)[C@@H]1c1cccs1 ZINC000262359434 835237543 /nfs/dbraw/zinc/23/75/43/835237543.db2.gz GNNDWAHUJLGPBZ-OXFYSEKESA-N 2 0 384.549 3.559 20 30 GHEDRP C=CCC(C)(C)CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000458812096 842148515 /nfs/dbraw/zinc/14/85/15/842148515.db2.gz QLOHDZJYAXRTOG-WOJBJXKFSA-N 2 0 378.605 3.567 20 30 GHEDRP C[NH+](C)CCCOc1cnccc1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000516994988 853241001 /nfs/dbraw/zinc/24/10/01/853241001.db2.gz YGMXUBNSTHKEDC-UHFFFAOYSA-N 2 0 392.547 3.906 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000414991833 853479537 /nfs/dbraw/zinc/47/95/37/853479537.db2.gz JXPVGJHBZAHFSR-ZFWWWQNUSA-N 2 0 383.330 3.630 20 30 GHEDRP C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc(C#N)c(N[C@H]3CCC[C@@H]([NH+](C)C)C3)n2)C1 ZINC000302889329 855959320 /nfs/dbraw/zinc/95/93/20/855959320.db2.gz OVUYNTUXMRKQQE-VNTMZGSJSA-N 2 0 384.572 3.523 20 30 GHEDRP C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1OCC ZINC000442928023 858235040 /nfs/dbraw/zinc/23/50/40/858235040.db2.gz PCGVIHKOEZSZNV-HNNXBMFYSA-N 2 0 397.357 3.973 20 30 GHEDRP N#Cc1ccc2ncc(C[NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CC34CCC4)n2c1 ZINC000595001211 858362669 /nfs/dbraw/zinc/36/26/69/858362669.db2.gz RTUAZPDXZQIVFA-NRFANRHFSA-N 2 0 385.515 3.598 20 30 GHEDRP C[NH+]1CCN(c2cccc(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)c2)CC1 ZINC001170359437 881417972 /nfs/dbraw/zinc/41/79/72/881417972.db2.gz XRUOZMPAXDOVIH-UHFFFAOYSA-N 2 0 388.559 3.932 20 30 GHEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000602570684 860121726 /nfs/dbraw/zinc/12/17/26/860121726.db2.gz VMBLDCRMNIWDMD-NRFANRHFSA-N 2 0 399.579 3.746 20 30 GHEDRP FC1(F)[C@@H]2C[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000904428184 860428395 /nfs/dbraw/zinc/42/83/95/860428395.db2.gz GFSKXCNMBZCENT-UPUXHGCUSA-N 2 0 392.334 3.620 20 30 GHEDRP CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000598628040 860474880 /nfs/dbraw/zinc/47/48/80/860474880.db2.gz KORVFUJDQDSTCF-FGZHOGPDSA-N 2 0 383.580 3.910 20 30 GHEDRP N#Cc1ccc(OCC[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000534230925 866302188 /nfs/dbraw/zinc/30/21/88/866302188.db2.gz DHCYIAGKRWXAPS-UHFFFAOYSA-N 2 0 375.516 3.925 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(Cl)cc2)[N@@H+](C)CCC)CC1 ZINC000553925686 868484018 /nfs/dbraw/zinc/48/40/18/868484018.db2.gz FUVGNIFTOSEEPY-FQEVSTJZSA-N 2 0 392.975 3.673 20 30 GHEDRP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1)CC(C)C ZINC000539096219 871305831 /nfs/dbraw/zinc/30/58/31/871305831.db2.gz BODQJOPYTDYHMX-SIKLNZKXSA-N 2 0 378.605 3.509 20 30 GHEDRP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1)CC(C)C ZINC000539100225 871315872 /nfs/dbraw/zinc/31/58/72/871315872.db2.gz TZNSEEMAXHKFLE-HXUWFJFHSA-N 2 0 390.616 3.798 20 30 GHEDRP C[C@@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000540708084 871948755 /nfs/dbraw/zinc/94/87/55/871948755.db2.gz RDQVDWUTIZASDH-LJQANCHMSA-N 2 0 380.511 3.556 20 30 GHEDRP [NH2+]=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)NC1CCCCCC1 ZINC000263144515 884170821 /nfs/dbraw/zinc/17/08/21/884170821.db2.gz OPPWRFBUCCMBPC-OAQYLSRUSA-N 2 0 398.595 3.542 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000119568200 886756810 /nfs/dbraw/zinc/75/68/10/886756810.db2.gz RKMWAMLFWZZNGY-HXUWFJFHSA-N 2 0 390.616 3.713 20 30 GHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCOc2ccc(C#N)cc2)CC1 ZINC000537109293 894358193 /nfs/dbraw/zinc/35/81/93/894358193.db2.gz HAYKDIHYEMCSSJ-SFHVURJKSA-N 2 0 396.510 3.569 20 30 GHEDRP C[NH+](C)C[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000565261817 895484898 /nfs/dbraw/zinc/48/48/98/895484898.db2.gz DKRNRMSIXDCNCD-HSZRJFAPSA-N 2 0 380.511 3.554 20 30 GHEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000571468839 899877559 /nfs/dbraw/zinc/87/75/59/899877559.db2.gz SMMKHLMPXYNCTM-LADGPHEKSA-N 2 0 375.516 3.682 20 30 GHEDRP C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000132665951 903292889 /nfs/dbraw/zinc/29/28/89/903292889.db2.gz DPYPMFMLMIBAMV-LJQANCHMSA-N 2 0 378.516 3.506 20 30 GHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000773068319 904412355 /nfs/dbraw/zinc/41/23/55/904412355.db2.gz ISLBDNHJYLTYEC-NDXORKPFSA-N 2 0 378.944 3.846 20 30 GHEDRP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](C3CCC([NH+](CC)CC)CC3)C2)C1 ZINC001173107997 906194646 /nfs/dbraw/zinc/19/46/46/906194646.db2.gz ALAHHOYIGQBGJR-QETWGEEDSA-N 2 0 377.573 3.750 20 30 GHEDRP C=CCOC1CCC([NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccco4)CO3)CC2)CC1 ZINC001173322320 906372384 /nfs/dbraw/zinc/37/23/84/906372384.db2.gz BXKWARANLKBGOV-NYLDSWQDSA-N 2 0 388.552 3.849 20 30 GHEDRP C[C@@H]1C[N@@H+](CCCNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)C[C@H](C)O1 ZINC000304493443 915524647 /nfs/dbraw/zinc/52/46/47/915524647.db2.gz OQUXPORTSRSXDV-HDICACEKSA-N 2 0 382.508 3.705 20 30 GHEDRP COc1cccc(NC(=[NH2+])NCC2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000304739544 915669175 /nfs/dbraw/zinc/66/91/75/915669175.db2.gz BHWOIOAWTDPNNA-UHFFFAOYSA-N 2 0 386.927 3.987 20 30 GHEDRP CCc1cccc(CC)c1NC(=[NH2+])NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000304805492 915720786 /nfs/dbraw/zinc/72/07/86/915720786.db2.gz RHASIUWXESJWKA-UHFFFAOYSA-N 2 0 394.563 3.695 20 30 GHEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001220868149 1032161167 /nfs/dbraw/zinc/16/11/67/1032161167.db2.gz CLFPBPLOYKNTQV-RDPSFJRHSA-N 2 0 387.527 3.629 20 30 GHEDRP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccc(OCCC[NH+](C)C)cc1)C2 ZINC001204266153 1032709077 /nfs/dbraw/zinc/70/90/77/1032709077.db2.gz TZEIGMXUVCNCBF-DEOSSOPVSA-N 2 0 399.579 3.550 20 30 GHEDRP COc1ccc(OC)c(NC(=[NH2+])NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000303911285 1021147983 /nfs/dbraw/zinc/14/79/83/1021147983.db2.gz ZLPVVFXXGJJHLP-QGZVFWFLSA-N 2 0 396.535 3.863 20 30 GHEDRP N#Cc1ccc(Oc2ccc(Br)c(C[N@@H+]3C[C@@H]4[C@@H](C[NH3+])[C@@H]4C3)c2)cc1 ZINC001204919073 1033165671 /nfs/dbraw/zinc/16/56/71/1033165671.db2.gz UEPCJQGTZNABQI-LDLYASANSA-N 2 0 398.304 3.750 20 30 GHEDRP [NH3+][C@@H]1CCN(c2ccc(/C=[NH+]\CC/N=C\c3ccc(Br)cc3)cc2)C1 ZINC001164286183 1026477152 /nfs/dbraw/zinc/47/71/52/1026477152.db2.gz HYIHQDBEMDXLDC-VZOYDNFQSA-N 2 0 399.336 3.525 20 30 GHEDRP CC[NH+](CC)Cc1ccc(Nc2ccc(N3CC[NH+](C)CC3)c(C#N)c2)cc1 ZINC001209823430 1027221652 /nfs/dbraw/zinc/22/16/52/1027221652.db2.gz FNHYRKZDXWSLIA-UHFFFAOYSA-N 2 0 377.536 3.895 20 30 GHEDRP N#Cc1ccc(CN2[C@H](COCc3ccccc3)CCC23CC[NH2+]CC3)s1 ZINC001222590065 1030214160 /nfs/dbraw/zinc/21/41/60/1030214160.db2.gz DGDKXAUJVVBVMD-IBGZPJMESA-N 2 0 381.545 3.923 20 30 GHEDRP C=C1CC[NH2+]C[C@@H]1Oc1ncc(-c2ccc(C[NH+](C)C)cc2)c2c(O)cccc12 ZINC001218208739 1030831923 /nfs/dbraw/zinc/83/19/23/1030831923.db2.gz OXIGWAXEXFBLHV-QFIPXVFZSA-N 2 0 389.499 3.966 20 30 GHEDRP N#Cc1ccc(Br)c(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c1 ZINC001206755166 1033970320 /nfs/dbraw/zinc/97/03/20/1033970320.db2.gz CRZTVAVZZQQJFW-UHFFFAOYSA-N 2 0 384.321 3.813 20 30 GHEDRP N#Cc1cc(Cl)cnc1-n1cc(CC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC001159466706 1034607521 /nfs/dbraw/zinc/60/75/21/1034607521.db2.gz KAFBNWKUCJGULH-UHFFFAOYSA-N 2 0 379.895 3.516 20 30 GHEDRP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208935789 1035102207 /nfs/dbraw/zinc/10/22/07/1035102207.db2.gz LQZPGPZRIKEDPD-HJOGWXRNSA-N 2 0 384.564 3.725 20 30 GHEDRP N#CCc1ccc(OCc2ccc(-n3cc(CC[NH3+])c4c[nH+]ccc43)nc2)cc1 ZINC001160952306 1035104589 /nfs/dbraw/zinc/10/45/89/1035104589.db2.gz TWSVKZWYDXDXQF-UHFFFAOYSA-N 2 0 383.455 3.567 20 30 GHEDRP N#Cc1cccc(O[C@@H]2CCC[N@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001208954992 1035128119 /nfs/dbraw/zinc/12/81/19/1035128119.db2.gz XOFCYHOZJBMLOH-ISKFKSNPSA-N 2 0 375.516 3.924 20 30 GHEDRP N#Cc1cccc(C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001254584953 1040357865 /nfs/dbraw/zinc/35/78/65/1040357865.db2.gz BJSTXHKBGZBWMC-MQSCRBSSSA-N 2 0 390.487 3.706 20 30 GHEDRP N#Cc1ccccc1O[C@H]1CCC[N@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C1 ZINC001235968217 1041473991 /nfs/dbraw/zinc/47/39/91/1041473991.db2.gz GFMFBXHINKEOSS-NRFANRHFSA-N 2 0 386.499 3.660 20 30 GHEDRP COc1cc(C[NH+]2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)ccc1C#N ZINC001238406865 1042586801 /nfs/dbraw/zinc/58/68/01/1042586801.db2.gz RJVGXSUAYNCCGF-UHFFFAOYSA-N 2 0 390.531 3.838 20 30 GHEDRP N#Cc1cc(-c2ncc(C(F)(F)F)cc2C2=CC[NH2+]CC2)cc(C2C[NH2+]C2)c1 ZINC001240346831 1042922480 /nfs/dbraw/zinc/92/24/80/1042922480.db2.gz ZQCQFDIOBWIVNZ-UHFFFAOYSA-N 2 0 384.405 3.703 20 30 GHEDRP C=CCOC(=O)N1CCC2(CC1)CC[NH+](C1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC001256855854 1043704542 /nfs/dbraw/zinc/70/45/42/1043704542.db2.gz YPZDLKFOBAGIFS-UHFFFAOYSA-N 2 0 398.551 3.551 20 30 GHEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2ccccn2)C1 ZINC001258729000 1044736312 /nfs/dbraw/zinc/73/63/12/1044736312.db2.gz RVXTXJATEAHIOW-ODGPQVTHSA-N 2 0 383.580 3.987 20 30 GHEDRP C=CCOC(=O)N1CCCC2(CC[NH+]([C@H](C)CCC[NH+](CC)CC)CC2)C1 ZINC001258907165 1044861505 /nfs/dbraw/zinc/86/15/05/1044861505.db2.gz GRJGEQFCCBGGBY-HXUWFJFHSA-N 2 0 379.589 3.998 20 30 GHEDRP Cn1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4csc(Cl)c4)C[C@H]3CC2)cc1C#N ZINC001279117153 1047724658 /nfs/dbraw/zinc/72/46/58/1047724658.db2.gz XKQPAOFXCZIRMG-HDICACEKSA-N 2 0 388.968 3.956 20 30 GHEDRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C[C@@H]2C1 ZINC001335133613 1052041027 /nfs/dbraw/zinc/04/10/27/1052041027.db2.gz KFUKRFOBYYQTGR-JAXLGGSGSA-N 2 0 377.536 3.626 20 30 GHEDRP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000246134113 835970152 /nfs/dbraw/zinc/97/01/52/835970152.db2.gz ZWHJLBAPCJBKHI-WOJBJXKFSA-N 2 0 388.600 3.694 20 30 GHEDRP Cn1cc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180044351 836901348 /nfs/dbraw/zinc/90/13/48/836901348.db2.gz YDWRWUHLVVGGJA-UHFFFAOYSA-N 2 0 385.515 3.844 20 30 GHEDRP N#Cc1ccc2ncc(C[NH2+][C@@H]3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)n2c1 ZINC000585767377 842279454 /nfs/dbraw/zinc/27/94/54/842279454.db2.gz XKGSBPFZPXMTDP-ACIOBRDBSA-N 2 0 385.515 3.596 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000604193933 843648985 /nfs/dbraw/zinc/64/89/85/843648985.db2.gz KDUGUVCBLRLHEJ-QFIPXVFZSA-N 2 0 384.568 3.553 20 30 GHEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3ccc(C#N)cc3F)cc2)CC1 ZINC000512668110 844974797 /nfs/dbraw/zinc/97/47/97/844974797.db2.gz SVIZFOMOAITFMU-SFHVURJKSA-N 2 0 380.511 3.686 20 30 GHEDRP N#CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000248405787 845303033 /nfs/dbraw/zinc/30/30/33/845303033.db2.gz RTKRNFGTXKWVCR-QPTUXGOLSA-N 2 0 375.516 3.979 20 30 GHEDRP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1F ZINC000421385808 846200848 /nfs/dbraw/zinc/20/08/48/846200848.db2.gz RCAAFMAUKQLEPC-JOCHJYFZSA-N 2 0 393.506 3.716 20 30 GHEDRP N#CC1(c2ccccc2)CCC([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000272760128 847164610 /nfs/dbraw/zinc/16/46/10/847164610.db2.gz PZZWARZLGRSRKM-OADZCNSWSA-N 2 0 389.543 3.747 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1OCC ZINC000414854904 849790689 /nfs/dbraw/zinc/79/06/89/849790689.db2.gz VKORWJVNHPNKHE-HNNXBMFYSA-N 2 0 397.357 3.892 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000414864563 850001918 /nfs/dbraw/zinc/00/19/18/850001918.db2.gz YUFBWOSEEXMULO-DZGCQCFKSA-N 2 0 383.330 3.500 20 30 GHEDRP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123510798 850591387 /nfs/dbraw/zinc/59/13/87/850591387.db2.gz HGIGXMXXLUDSRO-HNNXBMFYSA-N 2 0 376.932 3.592 20 30 GHEDRP COc1cccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000262006774 850841985 /nfs/dbraw/zinc/84/19/85/850841985.db2.gz IMQHZHUQMXTRRR-LIRRHRJNSA-N 2 0 390.890 3.907 20 30 GHEDRP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057843855 855738331 /nfs/dbraw/zinc/73/83/31/855738331.db2.gz WASVOVSNGHIUAQ-FQEVSTJZSA-N 2 0 396.579 3.562 20 30 GHEDRP N#CCCC[C@H]([NH3+])C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000574570980 858089565 /nfs/dbraw/zinc/08/95/65/858089565.db2.gz ZAQPEMCCRKUVPX-QHCPKHFHSA-N 2 0 390.531 3.587 20 30 GHEDRP CC1(C)CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000595949001 858729576 /nfs/dbraw/zinc/72/95/76/858729576.db2.gz UULDQLXVWRCFPQ-FCHUYYIVSA-N 2 0 396.579 3.547 20 30 GHEDRP C=CCc1cc(OCC)cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1O ZINC000174102416 865441009 /nfs/dbraw/zinc/44/10/09/865441009.db2.gz TYMNEKJDLSEMFO-UHFFFAOYSA-N 2 0 388.552 3.596 20 30 GHEDRP COc1cc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)ccc1C#N ZINC000440639038 867659326 /nfs/dbraw/zinc/65/93/26/867659326.db2.gz OXQYXLTXFMKDFT-UHFFFAOYSA-N 2 0 393.531 3.728 20 30 GHEDRP C[C@@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000539608327 869436260 /nfs/dbraw/zinc/43/62/60/869436260.db2.gz FFLKXOUYSRYOII-HXUWFJFHSA-N 2 0 394.538 3.946 20 30 GHEDRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000463298113 871362911 /nfs/dbraw/zinc/36/29/11/871362911.db2.gz UXHZICLDCZQPTI-CRAIPNDOSA-N 2 0 380.458 3.629 20 30 GHEDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(O[C@H](C)C#N)cc3)cc2F)CC1 ZINC000106487503 876072431 /nfs/dbraw/zinc/07/24/31/876072431.db2.gz LLFDLVCJWHZSGK-GOSISDBHSA-N 2 0 396.510 3.548 20 30 GHEDRP CC[N@H+](CCC1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1)CC(C)C ZINC000537994563 878679106 /nfs/dbraw/zinc/67/91/06/878679106.db2.gz GKBNYMLPYXINHH-UHFFFAOYSA-N 2 0 384.568 3.967 20 30 GHEDRP C#CCCOc1ccc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000790622672 879892585 /nfs/dbraw/zinc/89/25/85/879892585.db2.gz LYMPRQNCHPIIMC-UHFFFAOYSA-N 2 0 378.516 3.852 20 30 GHEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000237486636 884197029 /nfs/dbraw/zinc/19/70/29/884197029.db2.gz IEAYANOVFJKMRC-NRFANRHFSA-N 2 0 392.547 3.669 20 30 GHEDRP C#CCOc1ccc(Br)cc1C[NH2+]CC1CC[NH+](CCC)CC1 ZINC000729682486 888473485 /nfs/dbraw/zinc/47/34/85/888473485.db2.gz VPPPENLTWHOWPK-UHFFFAOYSA-N 2 0 379.342 3.673 20 30 GHEDRP CC(=O)[C@](C#N)(CCN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)c1ccccc1 ZINC000878018136 893950811 /nfs/dbraw/zinc/95/08/11/893950811.db2.gz SBLSSLDJCYDPQC-ISKFKSNPSA-N 2 0 381.564 3.871 20 30 GHEDRP C[C@@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000883343563 897510781 /nfs/dbraw/zinc/51/07/81/897510781.db2.gz RHMPSCCRUFEBCQ-GOSISDBHSA-N 2 0 381.495 3.765 20 30 GHEDRP C[C@H]1C[C@H](NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171734606 905016522 /nfs/dbraw/zinc/01/65/22/905016522.db2.gz OVGVFDJMDAVSBS-URXFXBBRSA-N 2 0 388.559 3.797 20 30 GHEDRP C[C@H]1C[C@@H](NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171734608 905016878 /nfs/dbraw/zinc/01/68/78/905016878.db2.gz OVGVFDJMDAVSBS-XUZZJYLKSA-N 2 0 388.559 3.797 20 30 GHEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001172303394 905457301 /nfs/dbraw/zinc/45/73/01/905457301.db2.gz CNPKCGWUUCMQDE-SIKLNZKXSA-N 2 0 393.531 3.838 20 30 GHEDRP C[C@@H](CCCC#N)[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2cccnc2)C1 ZINC001172496347 905597089 /nfs/dbraw/zinc/59/70/89/905597089.db2.gz ZQNVYYLBLSMJMV-NKKJXINNSA-N 2 0 396.579 3.714 20 30 GHEDRP COC[C@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+]([C@H](C)CCCC#N)CC2 ZINC001172497158 905600278 /nfs/dbraw/zinc/60/02/78/905600278.db2.gz YYTKWZGJVVTLCV-QZTJIDSGSA-N 2 0 376.570 3.528 20 30 GHEDRP C[NH+](C)CCOc1ccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000092034228 911374884 /nfs/dbraw/zinc/37/48/84/911374884.db2.gz DSIAZTDDRVXBMT-UHFFFAOYSA-N 2 0 379.504 3.542 20 30 GHEDRP N#Cc1ccc([C@H](O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000248008091 911590675 /nfs/dbraw/zinc/59/06/75/911590675.db2.gz KZWHCXKZPMNNET-WXFUMESZSA-N 2 0 375.516 3.578 20 30 GHEDRP CCc1cccc(NC(=[NH2+])NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000303882528 915294382 /nfs/dbraw/zinc/29/43/82/915294382.db2.gz IDWDEOPJNXXKSW-HDICACEKSA-N 2 0 380.536 3.785 20 30 GHEDRP COc1ccc(OC)c(NC(=[NH2+])NCc2cccc(C[NH+]3CCC(C)CC3)c2)c1 ZINC000303983648 915348226 /nfs/dbraw/zinc/34/82/26/915348226.db2.gz RJNAQJHDSJJAAS-UHFFFAOYSA-N 2 0 396.535 3.863 20 30 GHEDRP Cc1ccc([C@@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)[NH+]2CCCC2)cc1 ZINC000304495854 915525189 /nfs/dbraw/zinc/52/51/89/915525189.db2.gz NMZPROSBTXFRCC-NHCUHLMSSA-N 2 0 378.520 3.560 20 30 GHEDRP N#Cc1ccc(CN2CCC([NH2+][C@@H](c3ccccc3)[C@H]3CCOC3)CC2)cc1 ZINC000362043291 917050024 /nfs/dbraw/zinc/05/00/24/917050024.db2.gz WNYICQLYAAUPTG-UPVQGACJSA-N 2 0 375.516 3.890 20 30 GHEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000558016136 931803388 /nfs/dbraw/zinc/80/33/88/931803388.db2.gz ZOMXJZLLGMHSDZ-GOSISDBHSA-N 2 0 380.511 3.686 20 30 GHEDRP CC[NH+]1CCN(c2ccc(C[NH+]3CCC(C#N)(c4ccccc4)CC3)cc2)CC1 ZINC001140300056 1021344746 /nfs/dbraw/zinc/34/47/46/1021344746.db2.gz KUPVKOKLVISJSN-UHFFFAOYSA-N 2 0 388.559 3.886 20 30 GHEDRP C#CCOc1ccccc1C[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000756119193 1023528393 /nfs/dbraw/zinc/52/83/93/1023528393.db2.gz OKJYILPPKYKUEN-UHFFFAOYSA-N 2 0 377.532 3.520 20 30 GHEDRP CC[C@@H](C#N)Oc1cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)ccc1OC ZINC000838956020 1025473672 /nfs/dbraw/zinc/47/36/72/1025473672.db2.gz UZDBZHKSODNMAY-FQEVSTJZSA-N 2 0 380.492 3.530 20 30 GHEDRP N#Cc1cc2c(cccc2NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)[nH]1 ZINC001162935741 1025973831 /nfs/dbraw/zinc/97/38/31/1025973831.db2.gz UNSFEHRAUZYDTD-HXUWFJFHSA-N 2 0 399.542 3.953 20 30 GHEDRP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cc(F)cc(C#N)c1)CC2 ZINC001139876845 1026693365 /nfs/dbraw/zinc/69/33/65/1026693365.db2.gz NZCSHEILTBGOLF-HSZRJFAPSA-N 2 0 393.506 3.953 20 30 GHEDRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC(C#Cc4ccccc4)CC3)c2)CC1 ZINC001157530724 1033644454 /nfs/dbraw/zinc/64/44/54/1033644454.db2.gz CHRZEZGFXICXAR-UHFFFAOYSA-N 2 0 375.516 3.823 20 30 GHEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CCCCCOCc2ccccc2)CC1 ZINC001208813359 1035035312 /nfs/dbraw/zinc/03/53/12/1035035312.db2.gz DHNAJEJZFUGIRJ-UHFFFAOYSA-N 2 0 385.596 3.665 20 30 GHEDRP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](CCCc1cccc(C#N)c1)CC2 ZINC001208849264 1035055895 /nfs/dbraw/zinc/05/58/95/1035055895.db2.gz CLZNDLFCQKBFKM-QFIPXVFZSA-N 2 0 393.531 3.839 20 30 GHEDRP CSc1nc(-c2ccccc2)nc(-n2cc(CC[NH3+])c3c[nH+]ccc32)c1C#N ZINC001160950435 1035103252 /nfs/dbraw/zinc/10/32/52/1035103252.db2.gz MWIRQWAUQYDXFJ-UHFFFAOYSA-N 2 0 386.484 3.577 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]CCC1C[NH2+]C1 ZINC001245987907 1037110946 /nfs/dbraw/zinc/11/09/46/1037110946.db2.gz MWFWVYUEXXTNHW-QFIPXVFZSA-N 2 0 386.621 3.501 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]C[C@H]([NH3+])C(C)C ZINC001245999447 1037121794 /nfs/dbraw/zinc/12/17/94/1037121794.db2.gz ADKCCPAFWYYEJP-VXKWHMMOSA-N 2 0 388.637 3.874 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]C12CC([NH3+])(C1)C2 ZINC001246012573 1037133533 /nfs/dbraw/zinc/13/35/33/1037133533.db2.gz BABARZORJWHTRK-ITAUSPCMSA-N 2 0 384.605 3.525 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001246032158 1037150539 /nfs/dbraw/zinc/15/05/39/1037150539.db2.gz KDVFBXJZEUOBEI-MLCQCVOFSA-N 2 0 398.632 3.723 20 30 GHEDRP CCOC(=O)[C@H]1CC2(C[N@@H+]1C1CCC(c3ccc(C#N)cc3)CC1)CC[NH2+]CC2 ZINC001246602446 1037498580 /nfs/dbraw/zinc/49/85/80/1037498580.db2.gz LJNZBLRQUQXDEX-LZBANZJXSA-N 2 0 395.547 3.592 20 30 GHEDRP C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H]1CC[NH2+][C@@H](Cc3ccccc3)C1)[C@@H]2CC ZINC001246755192 1037595681 /nfs/dbraw/zinc/59/56/81/1037595681.db2.gz HPLXBNSQGGEXKK-UCKMRUJXSA-N 2 0 395.591 3.771 20 30 GHEDRP COc1ccc(C[N@H+]([C@@H](C)Cc2ccc(C#N)cc2)C2CC[NH2+]CC2)cc1F ZINC001246963900 1037785960 /nfs/dbraw/zinc/78/59/60/1037785960.db2.gz ZYXFSIACCDOVKA-KRWDZBQOSA-N 2 0 381.495 3.891 20 30 GHEDRP CC(C)[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC001254051192 1039975803 /nfs/dbraw/zinc/97/58/03/1039975803.db2.gz ASJAYSXMNIJTSY-HSZRJFAPSA-N 2 0 377.532 3.872 20 30 GHEDRP CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)cc1 ZINC001235375360 1040887199 /nfs/dbraw/zinc/88/71/99/1040887199.db2.gz ZNURZLSCNDLTRS-ILBGXUMGSA-N 2 0 388.559 3.790 20 30 GHEDRP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccccc1CC#N)CC2 ZINC001235514389 1040970396 /nfs/dbraw/zinc/97/03/96/1040970396.db2.gz OZDKYOSTZLQKPC-OAQYLSRUSA-N 2 0 379.504 3.601 20 30 GHEDRP N#Cc1ccc(C[N@H+](C2CCN(c3cc[nH+]cc3)CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001256854644 1043703853 /nfs/dbraw/zinc/70/38/53/1043703853.db2.gz XBOPZFFGDQKVKW-AFARHQOCSA-N 3 0 389.547 3.694 20 30 GHEDRP CC[C@@H]1C[C@H](N/C(C)=[NH+]/Cc2cccc(C[NH3+])c2)CCN1C(=O)OC(C)(C)C ZINC001257124087 1043872050 /nfs/dbraw/zinc/87/20/50/1043872050.db2.gz YKXYRXUZQJKVDU-WOJBJXKFSA-N 2 0 388.556 3.831 20 30 GHEDRP COc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1C#N ZINC001308548471 1050005418 /nfs/dbraw/zinc/00/54/18/1050005418.db2.gz VKKULBMZYRFWEL-XPWALMASSA-N 2 0 375.516 3.957 20 30 GHEDRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001332362587 1051506283 /nfs/dbraw/zinc/50/62/83/1051506283.db2.gz YTOHWHHAACYRCA-OALUTQOASA-N 2 0 392.588 3.627 20 30 GHEDRP C[NH+]1CCN(c2ccc(NCc3ccc(C#N)c(F)c3)c3cnccc32)CC1 ZINC001474754066 1056091679 /nfs/dbraw/zinc/09/16/79/1056091679.db2.gz MHDPRIDSERBYSJ-UHFFFAOYSA-N 2 0 375.451 3.609 20 30 GHEDRP N#CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001342063148 1061035032 /nfs/dbraw/zinc/03/50/32/1061035032.db2.gz LOUUFPZEYNUQGJ-QPTUXGOLSA-N 2 0 375.516 3.979 20 30 GHEDRP C[NH+](C)Cc1cccc(C(=O)OCC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000847746977 1066024380 /nfs/dbraw/zinc/02/43/80/1066024380.db2.gz URVQHRNWKWJMAR-UHFFFAOYSA-N 2 0 391.515 3.711 20 30 GHEDRP C[NH+]1CCN(C[C@@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c2ccccc2)CC1 ZINC000579905658 837186856 /nfs/dbraw/zinc/18/68/56/837186856.db2.gz RQECPDHKFHKAJC-JWQCQUIFSA-N 2 0 388.559 3.904 20 30 GHEDRP [NH2+]=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000195291135 840446556 /nfs/dbraw/zinc/44/65/56/840446556.db2.gz YGNSQMHUOGVYPV-INIZCTEOSA-N 2 0 392.425 3.834 20 30 GHEDRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H](C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)CC[NH+]1C ZINC000329441864 861437068 /nfs/dbraw/zinc/43/70/68/861437068.db2.gz LCXZPZZUBOKHLD-DNDRQTMDSA-N 2 0 392.588 3.671 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1OC ZINC000414852851 849743876 /nfs/dbraw/zinc/74/38/76/849743876.db2.gz QRIQRQJDXWLGPJ-AWEZNQCLSA-N 2 0 383.330 3.502 20 30 GHEDRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCC(=O)Nc3cccc(C#N)c3)C2)s1 ZINC000571407477 853871109 /nfs/dbraw/zinc/87/11/09/853871109.db2.gz AKFSYUJMWABUEF-LJQANCHMSA-N 2 0 396.560 3.711 20 30 GHEDRP N#CCCn1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(-c2ccccc2)n1 ZINC000596059036 858767111 /nfs/dbraw/zinc/76/71/11/858767111.db2.gz MBDJDIDOMGNAJO-FQEVSTJZSA-N 2 0 377.536 3.675 20 30 GHEDRP FC1(F)[C@H]2C[NH+](CCCC3CC[NH2+]CC3)C[C@@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923529324 859397576 /nfs/dbraw/zinc/39/75/76/859397576.db2.gz CVZSNJQBOKKIPW-RYUDHWBXSA-N 2 0 394.350 3.869 20 30 GHEDRP C[C@H]1C[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CN1Cc1ccccc1 ZINC000593693108 860867648 /nfs/dbraw/zinc/86/76/48/860867648.db2.gz PHDQZSABEKSERE-CPJSRVTESA-N 2 0 388.559 3.775 20 30 GHEDRP Cc1cc(C)cc(NC(=[NH2+])NCCCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000303868094 866378665 /nfs/dbraw/zinc/37/86/65/866378665.db2.gz AHSNASBTFUPQQN-UHFFFAOYSA-N 2 0 393.579 3.628 20 30 GHEDRP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1)CC(C)C ZINC001192489084 870462565 /nfs/dbraw/zinc/46/25/65/870462565.db2.gz ADSBQLORLUNWAV-IBGZPJMESA-N 2 0 384.568 3.965 20 30 GHEDRP CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000103174011 871420277 /nfs/dbraw/zinc/42/02/77/871420277.db2.gz VVMUPOVQYHOWLH-HSZRJFAPSA-N 2 0 376.548 3.691 20 30 GHEDRP C=CC[C@H]1[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCC1(C)C ZINC001169843481 871934288 /nfs/dbraw/zinc/93/42/88/871934288.db2.gz DYEABGLNLYCHHI-JOCHJYFZSA-N 2 0 383.580 3.965 20 30 GHEDRP N#Cc1ccc(CN2CCC([NH2+]CCc3nc4ccccc4s3)CC2)cc1 ZINC000271836484 875657393 /nfs/dbraw/zinc/65/73/93/875657393.db2.gz FZHOSDACCYITMN-UHFFFAOYSA-N 2 0 376.529 3.965 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)CC1 ZINC000531295218 879528052 /nfs/dbraw/zinc/52/80/52/879528052.db2.gz NCXLXVFKNTVOEO-LJQANCHMSA-N 2 0 397.485 3.855 20 30 GHEDRP N#Cc1cc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)ncc1Cl ZINC001170526146 885486244 /nfs/dbraw/zinc/48/62/44/885486244.db2.gz VMFOLKIGTIUMBX-UHFFFAOYSA-N 2 0 379.895 3.516 20 30 GHEDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCc4ccc(C#N)cc43)cc2F)CC1 ZINC000810216774 888294584 /nfs/dbraw/zinc/29/45/84/888294584.db2.gz OIZMVMAONQNFOD-QFIPXVFZSA-N 2 0 378.495 3.616 20 30 GHEDRP N#Cc1cccc([N+](=O)[O-])c1CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000459394319 893449783 /nfs/dbraw/zinc/44/97/83/893449783.db2.gz SLPYJPKJUSUTBI-UHFFFAOYSA-N 2 0 390.487 3.955 20 30 GHEDRP C[C@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000883343135 897511476 /nfs/dbraw/zinc/51/14/76/897511476.db2.gz AOPDHQCVUGPSJN-FQEVSTJZSA-N 2 0 393.531 3.657 20 30 GHEDRP C#CCOc1ccc(Br)cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000131781835 897573809 /nfs/dbraw/zinc/57/38/09/897573809.db2.gz JIRYECYUXMZGQD-AYHJJNSGSA-N 2 0 377.326 3.566 20 30 GHEDRP C#Cc1ccc(C[NH+]2CCC3(C[C@@H](COC)N(Cc4nccs4)C3)CC2)cc1 ZINC001144568844 902398797 /nfs/dbraw/zinc/39/87/97/902398797.db2.gz GAFJRAVDOIMJFY-NRFANRHFSA-N 2 0 395.572 3.628 20 30 GHEDRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@@H](C)Cc3ccc(C#N)cc3)CC[C@@H]21 ZINC001172306584 905460964 /nfs/dbraw/zinc/46/09/64/905460964.db2.gz DAEZZTHUKWVPTP-UQAQOTMJSA-N 2 0 391.563 3.559 20 30 GHEDRP CCCCCCC[C@@H](CCC)[N@@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001172511570 905605853 /nfs/dbraw/zinc/60/58/53/905605853.db2.gz UFAKVHNNNWZOSE-GOSISDBHSA-N 2 0 392.588 3.853 20 30 GHEDRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C[C@H]1C#N ZINC001172972522 906036521 /nfs/dbraw/zinc/03/65/21/906036521.db2.gz AAKUQNYPXOTIFC-ICSRJNTNSA-N 2 0 390.572 3.665 20 30 GHEDRP CC1(C#N)CCC([N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)CC1 ZINC001173595428 906548272 /nfs/dbraw/zinc/54/82/72/906548272.db2.gz OVUIKGCOWAMKTI-FPPAHVCDSA-N 2 0 385.596 3.919 20 30 GHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000192155087 907481249 /nfs/dbraw/zinc/48/12/49/907481249.db2.gz DSANWWFHSIWMFS-MRXNPFEDSA-N 2 0 384.474 3.829 20 30 GHEDRP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC001175690595 907697275 /nfs/dbraw/zinc/69/72/75/907697275.db2.gz ZUVCAADYIRKVSR-SNCIUUNGSA-N 2 0 376.589 3.504 20 30 GHEDRP [NH2+]=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)Nc1ccc2c(c1)CCC2 ZINC000303907770 915306417 /nfs/dbraw/zinc/30/64/17/915306417.db2.gz XARXHMSTPXOZCQ-UHFFFAOYSA-N 2 0 391.563 3.504 20 30 GHEDRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC000411544619 926505319 /nfs/dbraw/zinc/50/53/19/926505319.db2.gz VHISRCALXAWTOO-RTBURBONSA-N 2 0 390.531 3.633 20 30 GHEDRP C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccccc1C#N)CC2 ZINC001204367969 1032809055 /nfs/dbraw/zinc/80/90/55/1032809055.db2.gz RIPTWNQQMNLWEH-HXUWFJFHSA-N 2 0 381.545 3.875 20 30 GHEDRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141291342 1024420287 /nfs/dbraw/zinc/42/02/87/1024420287.db2.gz GOZBSBNNPWKGID-BJKOFHAPSA-N 2 0 390.531 3.561 20 30 GHEDRP C#CCOc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc1 ZINC001138558019 1025020267 /nfs/dbraw/zinc/02/02/67/1025020267.db2.gz LGHPNZQNENJIMG-UHFFFAOYSA-N 2 0 375.516 3.582 20 30 GHEDRP N#Cc1ncc(Cl)cc1NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162933751 1025972594 /nfs/dbraw/zinc/97/25/94/1025972594.db2.gz HSYMJYKYMPDODM-SFHVURJKSA-N 2 0 395.938 3.520 20 30 GHEDRP N#Cc1ccc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c2cc[nH]c21 ZINC001162941702 1025978484 /nfs/dbraw/zinc/97/84/84/1025978484.db2.gz ZQNDDJYVJGHFSG-NRFANRHFSA-N 2 0 399.542 3.953 20 30 GHEDRP COc1cc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)cc(C[NH+](C)C)c1O ZINC001139256803 1026106434 /nfs/dbraw/zinc/10/64/34/1026106434.db2.gz LHCSTPLSSSSBFN-UHFFFAOYSA-N 2 0 393.531 3.789 20 30 GHEDRP [NH2+]=C(Nc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC001163684729 1026283004 /nfs/dbraw/zinc/28/30/04/1026283004.db2.gz AHUZZXPEAIFTKP-UHFFFAOYSA-N 3 0 390.453 3.913 20 30 GHEDRP C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)c(F)c1)CC2 ZINC001139528103 1026387226 /nfs/dbraw/zinc/38/72/26/1026387226.db2.gz MKLVTMOGEXQMEP-LJQANCHMSA-N 2 0 383.467 3.546 20 30 GHEDRP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(F)cc(C#N)c1)CC2 ZINC001139877488 1026693770 /nfs/dbraw/zinc/69/37/70/1026693770.db2.gz LFBWKIMRBGDBKB-FQEVSTJZSA-N 2 0 383.467 3.546 20 30 GHEDRP C#Cc1cccc(C[NH+]2CCC3(C[C@@H](COC)N(Cc4nccs4)C3)CC2)c1 ZINC001231656099 1034813266 /nfs/dbraw/zinc/81/32/66/1034813266.db2.gz XQOZKWJEMJCOKX-NRFANRHFSA-N 2 0 395.572 3.628 20 30 GHEDRP C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc(F)cc(C[NH+](C)C)c1)[C@H]2CC ZINC001232149702 1035127987 /nfs/dbraw/zinc/12/79/87/1035127987.db2.gz XXFZLJUHPQFCNL-GMAHTHKFSA-N 2 0 387.543 3.809 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC001245996346 1037116125 /nfs/dbraw/zinc/11/61/25/1037116125.db2.gz VIJPUEFOZACRKT-VSKRKVRLSA-N 2 0 386.621 3.771 20 30 GHEDRP N#Cc1nccc(Oc2cccc(-c3ccc(C[NH2+]C4CC[NH2+]CC4)cc3)c2)n1 ZINC001246294042 1037283192 /nfs/dbraw/zinc/28/31/92/1037283192.db2.gz JDQQOLOUFRGOAI-UHFFFAOYSA-N 2 0 385.471 3.649 20 30 GHEDRP N#CC1(c2ccc(F)cc2)CCC([NH2+]Cc2cccc(N3CC[NH2+]CC3)c2)CC1 ZINC001246339783 1037301721 /nfs/dbraw/zinc/30/17/21/1037301721.db2.gz BYXWVSZOOGHJIW-UHFFFAOYSA-N 2 0 392.522 3.729 20 30 GHEDRP C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H]3C[C@@H](CC)[NH2+][C@@H](CC)C3)CC2)C1 ZINC001246527805 1037459743 /nfs/dbraw/zinc/45/97/43/1037459743.db2.gz WSBYGBOJDVZIOP-ACDBMABISA-N 2 0 377.573 3.796 20 30 GHEDRP COC(=O)c1cccc(C[N@H+]([C@H](C)Cc2ccc(C#N)cc2)C2CC[NH2+]CC2)c1 ZINC001246959903 1037778272 /nfs/dbraw/zinc/77/82/72/1037778272.db2.gz UIMFDUIUJKMWIC-GOSISDBHSA-N 2 0 391.515 3.530 20 30 GHEDRP Cc1cc(C#N)ccc1C[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001233079298 1038843798 /nfs/dbraw/zinc/84/37/98/1038843798.db2.gz BBZXONKDSVARTF-NRFANRHFSA-N 2 0 379.504 3.715 20 30 GHEDRP N#C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC001254649146 1040418061 /nfs/dbraw/zinc/41/80/61/1040418061.db2.gz NTAXYBSDMAWVBT-APWZRJJASA-N 2 0 376.342 3.943 20 30 GHEDRP CCc1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)ccc1C#N ZINC001238774477 1042722666 /nfs/dbraw/zinc/72/26/66/1042722666.db2.gz IZRPLGNMPAFQBG-UHFFFAOYSA-N 2 0 389.543 3.988 20 30 GHEDRP C[NH+]1CCC(Oc2ccc(C[NH2+]C3CC(C#N)(c4ccccc4)C3)cc2)CC1 ZINC001257292791 1043958146 /nfs/dbraw/zinc/95/81/46/1043958146.db2.gz UCVXFLNYTMEAOO-UHFFFAOYSA-N 2 0 375.516 3.873 20 30 GHEDRP CCOC(=O)CC1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC001258023677 1044349811 /nfs/dbraw/zinc/34/98/11/1044349811.db2.gz IBXIZCFZUAKZDS-UHFFFAOYSA-N 2 0 383.536 3.624 20 30 GHEDRP C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC001348957535 1063442218 /nfs/dbraw/zinc/44/22/18/1063442218.db2.gz ISUNAYCTWSCIGN-RXVVDRJESA-N 2 0 376.504 3.530 20 30 GHEDRP COc1cc(C#N)ccc1OCC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001459665896 1064160076 /nfs/dbraw/zinc/16/00/76/1064160076.db2.gz DHZCDXKCXSHYOE-LJQANCHMSA-N 2 0 385.552 3.922 20 30 GHEDRP N#CCCn1cc(C[NH2+]CCCCC[NH+]2CCCCC2)c(-c2ccncc2)n1 ZINC000278656356 835715457 /nfs/dbraw/zinc/71/54/57/835715457.db2.gz MTWZQKYBOQNODL-UHFFFAOYSA-N 2 0 380.540 3.605 20 30 GHEDRP CC[NH+](CC)Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000065930537 836252031 /nfs/dbraw/zinc/25/20/31/836252031.db2.gz KZTZLNPDQQFPOE-UHFFFAOYSA-N 2 0 392.547 3.604 20 30 GHEDRP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC1CCC(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000328696715 838688667 /nfs/dbraw/zinc/68/86/67/838688667.db2.gz UJGKKTQKDGIHAF-ZNXRSXASSA-N 2 0 392.588 3.956 20 30 GHEDRP C[NH+](C)Cc1cc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)ccc1F ZINC000160732375 840602541 /nfs/dbraw/zinc/60/25/41/840602541.db2.gz ZCENQUSVDCQVHE-UHFFFAOYSA-N 2 0 384.377 3.713 20 30 GHEDRP N#Cc1ccc(OCC[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000433122470 845363660 /nfs/dbraw/zinc/36/36/60/845363660.db2.gz QQAGOMROTNLJBQ-UHFFFAOYSA-N 2 0 375.516 3.925 20 30 GHEDRP C=CCn1c(C)cc(C(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000501076414 846619012 /nfs/dbraw/zinc/61/90/12/846619012.db2.gz GQFOFJSFJRSWID-UHFFFAOYSA-N 2 0 380.536 3.717 20 30 GHEDRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CC[NH2+]CC1 ZINC000423015892 847938756 /nfs/dbraw/zinc/93/87/56/847938756.db2.gz LRZPOJAWXKRZPW-SFHVURJKSA-N 2 0 391.515 3.636 20 30 GHEDRP COc1cc2c(cc1F)[nH+]ccc2N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000479941904 847966778 /nfs/dbraw/zinc/96/67/78/847966778.db2.gz RHCMYARASCZFPR-UHFFFAOYSA-N 2 0 390.462 3.966 20 30 GHEDRP C[NH+](C)CCOc1ccc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000673929404 862156628 /nfs/dbraw/zinc/15/66/28/862156628.db2.gz DJOBOOPSBUTLOD-UHFFFAOYSA-N 2 0 376.422 3.787 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1OCC ZINC000414834809 850884149 /nfs/dbraw/zinc/88/41/49/850884149.db2.gz QWISRHXPDVDOGL-AWEZNQCLSA-N 2 0 383.330 3.502 20 30 GHEDRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C3CC[NH+](C4CC4)CC3)c2)CC1 ZINC000328702020 854515029 /nfs/dbraw/zinc/51/50/29/854515029.db2.gz NPVQHYZLSHXXAJ-UHFFFAOYSA-N 2 0 384.524 3.896 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1 ZINC000106260493 855203103 /nfs/dbraw/zinc/20/31/03/855203103.db2.gz LFOAYCOWYGATPY-HXUWFJFHSA-N 2 0 398.595 3.901 20 30 GHEDRP CC[NH+](CC)CCCC1CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000542942873 857012615 /nfs/dbraw/zinc/01/26/15/857012615.db2.gz AGJBIXZUWPMHJR-UHFFFAOYSA-N 2 0 381.524 3.942 20 30 GHEDRP COc1cc(C[NH+]2CCC[C@H](CC#N)C2)cc(C[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595623299 858620951 /nfs/dbraw/zinc/62/09/51/858620951.db2.gz LZXYMVAREIZYIO-WOJBJXKFSA-N 2 0 380.536 3.947 20 30 GHEDRP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443601054 859021712 /nfs/dbraw/zinc/02/17/12/859021712.db2.gz GZXPSIDAQSIVEZ-NRFANRHFSA-N 2 0 396.579 3.910 20 30 GHEDRP FC1(F)[C@H]2C[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]2C(F)(F)C(F)(F)C1(F)F ZINC000904428185 860428053 /nfs/dbraw/zinc/42/80/53/860428053.db2.gz GFSKXCNMBZCENT-YAXHFPQCSA-N 2 0 392.334 3.620 20 30 GHEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)CC[C@H]([NH3+])CC3CCCCC3)CC2)c1 ZINC000593918696 863339000 /nfs/dbraw/zinc/33/90/00/863339000.db2.gz FXQBFQPHZQCNDB-QFIPXVFZSA-N 2 0 396.579 3.717 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000171709502 865338610 /nfs/dbraw/zinc/33/86/10/865338610.db2.gz QKNPAHGVFDPCNL-IBGZPJMESA-N 2 0 384.568 3.511 20 30 GHEDRP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(OCC#N)cc1 ZINC000729685847 888954023 /nfs/dbraw/zinc/95/40/23/888954023.db2.gz KQGNAQHEVZQNNS-IBGZPJMESA-N 2 0 379.504 3.914 20 30 GHEDRP N#Cc1ccc([C@@H](O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000813370462 891554981 /nfs/dbraw/zinc/55/49/81/891554981.db2.gz HEMQXGJBPLRBHT-QHCPKHFHSA-N 2 0 375.516 3.580 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000459738563 894160406 /nfs/dbraw/zinc/16/04/06/894160406.db2.gz RXXNRIZWQWSENK-OAHLLOKOSA-N 2 0 397.357 3.844 20 30 GHEDRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000571598301 899923103 /nfs/dbraw/zinc/92/31/03/899923103.db2.gz OXNUZUUCCOYNQE-JOCHJYFZSA-N 2 0 378.520 3.841 20 30 GHEDRP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](C3CC(C)(C)[NH+](C)C(C)(C)C3)C2)C1 ZINC001171628652 904852055 /nfs/dbraw/zinc/85/20/55/904852055.db2.gz FHFFGUDKXMXBQY-JOCHJYFZSA-N 2 0 377.573 3.748 20 30 GHEDRP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988688 906053771 /nfs/dbraw/zinc/05/37/71/906053771.db2.gz CNWUEXUXRVRCND-YRPNKDGESA-N 2 0 390.572 3.617 20 30 GHEDRP CC[NH+](CC)C1CCC([NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)CC1 ZINC001173114086 906203170 /nfs/dbraw/zinc/20/31/70/906203170.db2.gz VNNMNPFHDVDNNV-UHFFFAOYSA-N 2 0 397.567 3.797 20 30 GHEDRP C=CCOC1CCC([NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccccn4)CO3)CC2)CC1 ZINC001173324926 906372008 /nfs/dbraw/zinc/37/20/08/906372008.db2.gz WGNWMFNENAIKTM-KOENEWCDSA-N 2 0 399.579 3.651 20 30 GHEDRP CC1CC[NH+]([C@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)c2cccs2)CC1 ZINC000304511894 915526720 /nfs/dbraw/zinc/52/67/20/915526720.db2.gz XEICDNDWUVRRSY-RTBURBONSA-N 2 0 398.576 3.949 20 30 GHEDRP C[N@H+](CCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F)Cc1ccccc1 ZINC000305245937 916029885 /nfs/dbraw/zinc/02/98/85/916029885.db2.gz SVXQEQWCLBLXSJ-UHFFFAOYSA-N 2 0 380.414 3.834 20 30 GHEDRP Cc1ccc(NC(=[NH2+])NCCc2ccc(OCC[NH+]3CCCC3)cc2)cc1C ZINC000305785478 916379917 /nfs/dbraw/zinc/37/99/17/916379917.db2.gz XQUGCJSDMBTZLS-UHFFFAOYSA-N 2 0 380.536 3.747 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1OC ZINC000470020225 930320603 /nfs/dbraw/zinc/32/06/03/930320603.db2.gz YARZNRVVESOIEH-ZDUSSCGKSA-N 2 0 383.330 3.582 20 30 GHEDRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)C(=O)NC1(C#N)CCCCC1 ZINC000559900934 932934416 /nfs/dbraw/zinc/93/44/16/932934416.db2.gz NYELWYIUPHVDAM-HXUWFJFHSA-N 2 0 396.579 3.739 20 30 GHEDRP N#CC1(CCCC[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000930453767 934053381 /nfs/dbraw/zinc/05/33/81/934053381.db2.gz BFHZFXRYPFAGDF-HSZRJFAPSA-N 2 0 380.580 3.743 20 30 GHEDRP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000924695043 1017004619 /nfs/dbraw/zinc/00/46/19/1017004619.db2.gz IDNWNKLOEDZGPS-CEXWTWQISA-N 2 0 390.572 3.522 20 30 GHEDRP C[NH+](C)Cc1cc(C[NH+](C)C)c(O[C@H](C#N)c2cccc(F)c2)c(C[NH+](C)C)c1 ZINC001227166341 1032303142 /nfs/dbraw/zinc/30/31/42/1032303142.db2.gz XLJQDKIVCBVKAT-JOCHJYFZSA-N 3 0 398.526 3.654 20 30 GHEDRP N#Cc1cc(Cl)cnc1NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001155363848 1032519803 /nfs/dbraw/zinc/51/98/03/1032519803.db2.gz NKELWEUHFOMVOJ-LJQANCHMSA-N 2 0 395.938 3.520 20 30 GHEDRP COc1ccc(OC)c(NC(=[NH2+])NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000303911283 1021147794 /nfs/dbraw/zinc/14/77/94/1021147794.db2.gz ZLPVVFXXGJJHLP-KRWDZBQOSA-N 2 0 396.535 3.863 20 30 GHEDRP C=CC[N@H+]1CCc2c(Cl)c(OC3C[NH2+]C3)c(O)cc2[C@@H](c2ccccc2)C1 ZINC001218052301 1030742068 /nfs/dbraw/zinc/74/20/68/1030742068.db2.gz GNSPBQGXWPRYER-LJQANCHMSA-N 2 0 384.907 3.572 20 30 GHEDRP C=CCCC[C@@H](C(=O)Nc1cc(N2CCN(C)CC2)cc[nH+]1)c1ccccc1 ZINC001151289039 1030845865 /nfs/dbraw/zinc/84/58/65/1030845865.db2.gz DCQKUYWUQDUUKQ-OAQYLSRUSA-N 2 0 378.520 3.912 20 30 GHEDRP C=CCN1C(=O)CC[C@@]12CCC[N@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)CC2 ZINC001208934171 1035098397 /nfs/dbraw/zinc/09/83/97/1035098397.db2.gz HWTQNLBPBFOUER-UKILVPOCSA-N 2 0 395.591 3.932 20 30 GHEDRP C=CCOC(=O)N1CC2(C1)CC[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208934270 1035099697 /nfs/dbraw/zinc/09/96/97/1035099697.db2.gz XZACGACVJKUHQM-QFIPXVFZSA-N 2 0 397.563 3.619 20 30 GHEDRP C[C@@H](c1ccccc1)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001160952071 1035103613 /nfs/dbraw/zinc/10/36/13/1035103613.db2.gz QAQIQJBZVHGWEP-CVDCTZTESA-N 2 0 392.547 3.707 20 30 GHEDRP CCCCCCCCCC[C@@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001246017996 1037138502 /nfs/dbraw/zinc/13/85/02/1037138502.db2.gz FCAPCQJIHMROGC-RTWAWAEBSA-N 2 0 383.621 3.588 20 30 GHEDRP COC(=O)c1ccc(C(=[NH2+])N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001246303703 1037287008 /nfs/dbraw/zinc/28/70/08/1037287008.db2.gz ICBCTTDQKTVKEB-DKUWSORSSA-N 2 0 391.515 3.764 20 30 GHEDRP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3CC[NH2+][C@H](C(C)(C)C)C3)C2)CC1 ZINC001246523298 1037454127 /nfs/dbraw/zinc/45/41/27/1037454127.db2.gz AIMSSGXBOJWSCB-OALUTQOASA-N 2 0 377.573 3.654 20 30 GHEDRP COc1ccccc1C[N@H+](Cc1ccc(C#N)c(OC)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236713892 1041849964 /nfs/dbraw/zinc/84/99/64/1041849964.db2.gz ICUMISYBBHZZLZ-MEMLXQNLSA-N 2 0 379.504 3.848 20 30 GHEDRP CC(C)[NH+]1CCN(Cc2ccc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)c(F)c2)CC1 ZINC001240361220 1042923220 /nfs/dbraw/zinc/92/32/20/1042923220.db2.gz LTMXGXWLRWEXHW-UHFFFAOYSA-N 2 0 392.522 3.577 20 30 GHEDRP CC(C)(C)OC(=O)N1CC[C@@H](N)[C@@H]([NH2+]C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257015880 1043801602 /nfs/dbraw/zinc/80/16/02/1043801602.db2.gz QSEZLMFPRKJFIY-VFUGHAIPSA-N 2 0 398.551 3.511 20 30 GHEDRP C=CCOC(=O)N1CCCC2(CC[NH+](C3CC[NH+](CC(C)C)CC3)CC2)C1 ZINC001258011370 1044336976 /nfs/dbraw/zinc/33/69/76/1044336976.db2.gz LFEQXPAJWFNMPY-UHFFFAOYSA-N 2 0 377.573 3.607 20 30 GHEDRP N#Cc1c(N)sc(C[NH+]2CCC3(CC[N@H+](Cc4ccc[nH]4)C3)CC2)c1Cl ZINC001279370106 1047783489 /nfs/dbraw/zinc/78/34/89/1047783489.db2.gz GCQGOMAILGMBED-UHFFFAOYSA-N 2 0 389.956 3.672 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1OCC ZINC000415030736 839090144 /nfs/dbraw/zinc/09/01/44/839090144.db2.gz GAFAKYHPXCYWOL-ZFWWWQNUSA-N 2 0 383.330 3.630 20 30 GHEDRP CN(c1ccccc1C[N@@H+]1CCc2c(CC#N)cccc2C1)C1CC[NH+](C)CC1 ZINC000600213102 861255989 /nfs/dbraw/zinc/25/59/89/861255989.db2.gz QHFNGLYCLBZWAJ-UHFFFAOYSA-N 2 0 388.559 3.841 20 30 GHEDRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC001167836394 842331027 /nfs/dbraw/zinc/33/10/27/842331027.db2.gz ZGJMGLLPEHXZHF-SFHVURJKSA-N 2 0 385.556 3.655 20 30 GHEDRP C=CCOc1ccc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1OC ZINC000512179002 842777804 /nfs/dbraw/zinc/77/78/04/842777804.db2.gz KNFSFVAAVVIGNS-RTBURBONSA-N 2 0 388.552 3.581 20 30 GHEDRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1cccc(C#N)c1 ZINC000025702279 861485331 /nfs/dbraw/zinc/48/53/31/861485331.db2.gz VTSFNONIPKKXOU-GOSISDBHSA-N 2 0 376.504 3.661 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000604193932 861959183 /nfs/dbraw/zinc/95/91/83/861959183.db2.gz KDUGUVCBLRLHEJ-JOCHJYFZSA-N 2 0 384.568 3.553 20 30 GHEDRP N#Cc1csc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000590192630 855315596 /nfs/dbraw/zinc/31/55/96/855315596.db2.gz HYDOTXFYMVCIPL-FQEVSTJZSA-N 2 0 381.545 3.638 20 30 GHEDRP N#Cc1ccccc1CSCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000591570973 856156991 /nfs/dbraw/zinc/15/69/91/856156991.db2.gz MWMUWKRTVSNJHZ-IRLDBZIGSA-N 2 0 379.529 3.637 20 30 GHEDRP N#CCCC[C@@H]([NH3+])C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000574570979 858089620 /nfs/dbraw/zinc/08/96/20/858089620.db2.gz ZAQPEMCCRKUVPX-HSZRJFAPSA-N 2 0 390.531 3.587 20 30 GHEDRP N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(C[NH+]4CCCCCC4)CC3)C2=O)cc1 ZINC000611515198 859796188 /nfs/dbraw/zinc/79/61/88/859796188.db2.gz JRJFWWQZIKGKIU-QHCPKHFHSA-N 2 0 394.563 3.642 20 30 GHEDRP CC1CC[NH+](Cc2ccc(-c3noc(C4CC5(C4)C[NH2+]C[C@@H]5C#N)n3)cc2)CC1 ZINC000904100766 860122375 /nfs/dbraw/zinc/12/23/75/860122375.db2.gz HUYBRZBUISSLFV-KQVJYAISSA-N 2 0 391.519 3.575 20 30 GHEDRP CC[N@H+](CCC1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1)CC(C)C ZINC000552647734 860558228 /nfs/dbraw/zinc/55/82/28/860558228.db2.gz AUGTVTAZMFQZBC-UHFFFAOYSA-N 2 0 384.568 3.967 20 30 GHEDRP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC(C)(C)C[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000329033096 860963637 /nfs/dbraw/zinc/96/36/37/860963637.db2.gz QGJJSGXVBNHWTF-QSNWEANLSA-N 2 0 392.588 3.673 20 30 GHEDRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3CCN(c4ccc(C#N)cn4)CC3)CC2)C1 ZINC000161703119 861178672 /nfs/dbraw/zinc/17/86/72/861178672.db2.gz MTMNCZPTINDVSX-XMSQKQJNSA-N 2 0 381.568 3.555 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)CC1 ZINC000172264991 865542807 /nfs/dbraw/zinc/54/28/07/865542807.db2.gz RHRSADKDUSFJTF-LJQANCHMSA-N 2 0 384.568 3.600 20 30 GHEDRP C#CCOc1ccc(Br)cc1C[NH2+]CCC1CC[NH+](CC)CC1 ZINC000742378146 867271254 /nfs/dbraw/zinc/27/12/54/867271254.db2.gz YEBYRSRFLIBOPZ-UHFFFAOYSA-N 2 0 379.342 3.673 20 30 GHEDRP [NH2+]=C(NCc1cc(F)c(Cl)cc1F)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000262876164 882269013 /nfs/dbraw/zinc/26/90/13/882269013.db2.gz VLNILUATCUEQPU-UHFFFAOYSA-N 2 0 392.881 3.687 20 30 GHEDRP C=CCOc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1Cl ZINC000538723269 870426581 /nfs/dbraw/zinc/42/65/81/870426581.db2.gz SYLRHAUDBRWRLT-UHFFFAOYSA-N 2 0 378.944 3.982 20 30 GHEDRP N#Cc1ccc(C[NH+]2CCC(NC[C@@H]3CCC[N@@H+]3C3CCCCC3)CC2)cc1 ZINC000463248390 871264173 /nfs/dbraw/zinc/26/41/73/871264173.db2.gz OXNOEVSSBPQGBO-DEOSSOPVSA-N 2 0 380.580 3.909 20 30 GHEDRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(-c2ccccc2C#N)cc1 ZINC000441265635 871655594 /nfs/dbraw/zinc/65/55/94/871655594.db2.gz MGYWFCJPHWYEBZ-NHTMILBNSA-N 2 0 375.516 3.909 20 30 GHEDRP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211816 883664321 /nfs/dbraw/zinc/66/43/21/883664321.db2.gz GFDNHFPPFDZMLU-GOSISDBHSA-N 2 0 385.577 3.845 20 30 GHEDRP C=C(C)COc1cc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)ccc1OC ZINC000288507141 913788287 /nfs/dbraw/zinc/78/82/87/913788287.db2.gz IMVUTEAPKIGRGL-UHFFFAOYSA-N 2 0 399.535 3.665 20 30 GHEDRP N#CCOc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001137124176 893717729 /nfs/dbraw/zinc/71/77/29/893717729.db2.gz SNZGAOBHYGBPRR-GOTSBHOMSA-N 2 0 375.516 3.933 20 30 GHEDRP C=CCC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000878375719 894242238 /nfs/dbraw/zinc/24/22/38/894242238.db2.gz IBZHBQQZKHIDBC-GOSISDBHSA-N 2 0 383.458 3.513 20 30 GHEDRP N#Cc1ccc([C@@H](O)C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000819031897 896360114 /nfs/dbraw/zinc/36/01/14/896360114.db2.gz BMZQHFLUJVVJRE-QFIPXVFZSA-N 2 0 383.923 3.747 20 30 GHEDRP CC(C)[NH+]1CCN(c2ccc(NC(=[NH2+])c3ccc4cc(O)ccc4c3)cn2)CC1 ZINC001171184643 902183969 /nfs/dbraw/zinc/18/39/69/902183969.db2.gz OOZRSOFMAGPXIV-UHFFFAOYSA-N 2 0 389.503 3.508 20 30 GHEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]CCCC[NH+]1CCN(Cc3ccccc3)CC1)CC2 ZINC000579412474 904577266 /nfs/dbraw/zinc/57/72/66/904577266.db2.gz QCXBFZPHCAFBFS-RUZDIDTESA-N 2 0 388.559 3.733 20 30 GHEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCC[NH+]1CCN(Cc3ccccc3)CC1)CC2 ZINC000579412475 904577694 /nfs/dbraw/zinc/57/76/94/904577694.db2.gz QCXBFZPHCAFBFS-VWLOTQADSA-N 2 0 388.559 3.733 20 30 GHEDRP C[C@@H]1C[C@H](NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171734604 905017995 /nfs/dbraw/zinc/01/79/95/905017995.db2.gz OVGVFDJMDAVSBS-QPPBQGQZSA-N 2 0 388.559 3.797 20 30 GHEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001172303395 905456497 /nfs/dbraw/zinc/45/64/97/905456497.db2.gz CNPKCGWUUCMQDE-UGKGYDQZSA-N 2 0 393.531 3.838 20 30 GHEDRP C=C(C)COc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccc1OC ZINC000180996954 906892485 /nfs/dbraw/zinc/89/24/85/906892485.db2.gz HPOKZQYSBWXIAY-QFIPXVFZSA-N 2 0 396.531 3.507 20 30 GHEDRP N#CC1(c2ccccc2)CCC([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000271481415 910922484 /nfs/dbraw/zinc/92/24/84/910922484.db2.gz JCYOQKITMJCORW-CNHJLYCKSA-N 2 0 381.564 3.748 20 30 GHEDRP COc1ccc(OC)c(NC(=[NH2+])NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000303793844 915132759 /nfs/dbraw/zinc/13/27/59/915132759.db2.gz ZWOAJLDJZBQNPU-UHFFFAOYSA-N 2 0 382.508 3.617 20 30 GHEDRP COc1ccc(NC(=[NH2+])NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1Cl ZINC000303866078 915223681 /nfs/dbraw/zinc/22/36/81/915223681.db2.gz CFZLFXIFHMFUNB-QGZVFWFLSA-N 2 0 386.927 3.640 20 30 GHEDRP [NH2+]=C(NCCC[N@@H+]1CCc2ccccc2C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303874946 915234130 /nfs/dbraw/zinc/23/41/30/915234130.db2.gz DIOHHBSZBQVFOR-UHFFFAOYSA-N 2 0 392.425 3.760 20 30 GHEDRP C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411512688 926469710 /nfs/dbraw/zinc/46/97/10/926469710.db2.gz BNQNGKXZHADUIA-NVXWUHKLSA-N 2 0 388.943 3.783 20 30 GHEDRP COc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c(C#N)c1 ZINC001137706917 935736815 /nfs/dbraw/zinc/73/68/15/935736815.db2.gz WKIGGQLJPCNWIP-YADHBBJMSA-N 2 0 375.516 3.911 20 30 GHEDRP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000926754845 1017310542 /nfs/dbraw/zinc/31/05/42/1017310542.db2.gz SGZYRXXLAOUTMA-RTBURBONSA-N 2 0 392.588 3.627 20 30 GHEDRP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccccc1C#N)CC2 ZINC001204371007 1032813567 /nfs/dbraw/zinc/81/35/67/1032813567.db2.gz QRXOYFCAWYQEPX-HSZRJFAPSA-N 2 0 375.516 3.814 20 30 GHEDRP CC[NH+](CC)Cc1cccc(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)c1 ZINC000303911740 1021147826 /nfs/dbraw/zinc/14/78/26/1021147826.db2.gz ZUAVMJWDBKWDNT-UHFFFAOYSA-N 2 0 382.508 3.617 20 30 GHEDRP N#Cc1ccc(F)c(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001162933252 1025970997 /nfs/dbraw/zinc/97/09/97/1025970997.db2.gz BTNXLBQCMKVGFO-FQEVSTJZSA-N 2 0 378.495 3.611 20 30 GHEDRP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1cc(F)cc(C#N)c1)CC2 ZINC001139876493 1026692172 /nfs/dbraw/zinc/69/21/72/1026692172.db2.gz ALPMYXBKFASUMO-UHFFFAOYSA-N 2 0 378.495 3.969 20 30 GHEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1ccc(Cl)cc1C#C[Si](C)(C)C ZINC001219483545 1031450555 /nfs/dbraw/zinc/45/05/55/1031450555.db2.gz YGRQUQFWJBMKON-KRWDZBQOSA-N 2 0 380.008 3.567 20 30 GHEDRP N#Cc1cccc(CCC[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)c1 ZINC001208852964 1035058956 /nfs/dbraw/zinc/05/89/56/1035058956.db2.gz YBOVHCXYQFASJT-UHFFFAOYSA-N 2 0 389.543 3.858 20 30 GHEDRP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208935794 1035101992 /nfs/dbraw/zinc/10/19/92/1035101992.db2.gz LQZPGPZRIKEDPD-TZRRMPRUSA-N 2 0 384.564 3.725 20 30 GHEDRP C=CCOC[C@]12CCCO[C@H]1CC[N@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208936617 1035103842 /nfs/dbraw/zinc/10/38/42/1035103842.db2.gz ODCBWZBJDNKLSO-DSNGMDLFSA-N 2 0 398.591 3.972 20 30 GHEDRP C=CCN1C(=O)CCC[C@]12CCC[N@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208942403 1035112038 /nfs/dbraw/zinc/11/20/38/1035112038.db2.gz QCHSPKKUTJKEOD-ISKFKSNPSA-N 2 0 381.564 3.542 20 30 GHEDRP C=CCCC[NH+]1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001209158971 1035196064 /nfs/dbraw/zinc/19/60/64/1035196064.db2.gz XTTAOIHDGSQQJB-FQEVSTJZSA-N 2 0 383.580 3.542 20 30 GHEDRP COc1ccc(CC2(C[NH2+][C@@H](C)Cc3ccc(C#N)cc3)CC[NH2+]CC2)cc1 ZINC001246392623 1037352610 /nfs/dbraw/zinc/35/26/10/1037352610.db2.gz ZYZXXMBGZJLYNR-IBGZPJMESA-N 2 0 377.532 3.700 20 30 GHEDRP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)CC2 ZINC001246630928 1037519656 /nfs/dbraw/zinc/51/96/56/1037519656.db2.gz MDFKVGVDMOCUAR-GOSISDBHSA-N 2 0 375.516 3.635 20 30 GHEDRP CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)cc1 ZINC001235401082 1040914287 /nfs/dbraw/zinc/91/42/87/1040914287.db2.gz FMYFTKQNYQHIOP-DHIUTWEWSA-N 2 0 378.495 3.850 20 30 GHEDRP N#Cc1ccc(Oc2ccc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cn2)cc1 ZINC001235426412 1040928032 /nfs/dbraw/zinc/92/80/32/1040928032.db2.gz KUERMKCCFIFJNM-SFTDATJTSA-N 2 0 376.504 3.957 20 30 GHEDRP Cc1nc(C2CC[NH2+]CC2)sc1C[N@@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001235970020 1041475537 /nfs/dbraw/zinc/47/55/37/1041475537.db2.gz XMTJWGZFTLDBOM-FQEVSTJZSA-N 2 0 396.560 3.834 20 30 GHEDRP N#Cc1cc(-c2ccc(C[NH+]3CCCCC3)c(F)c2)ccc1N1CC[NH2+]CC1 ZINC001236247916 1041642815 /nfs/dbraw/zinc/64/28/15/1041642815.db2.gz AVZVJQVMOBBPFA-UHFFFAOYSA-N 2 0 378.495 3.760 20 30 GHEDRP CN(C)c1ccc(C[N@@H+](Cc2ccc(F)cc2)CC2CC[NH2+]CC2)c(F)c1C#N ZINC001236384775 1041692553 /nfs/dbraw/zinc/69/25/53/1041692553.db2.gz CBUBKUYJZJZFBZ-UHFFFAOYSA-N 2 0 398.501 3.904 20 30 GHEDRP N#Cc1cc(-c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)cc(C2C[NH2+]C2)c1 ZINC001240337917 1042921979 /nfs/dbraw/zinc/92/19/79/1042921979.db2.gz WXMMGWMBCVDESI-UHFFFAOYSA-N 2 0 380.495 3.865 20 30 GHEDRP Cn1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4cc(Cl)cs4)C[C@H]3CC2)cc1C#N ZINC001279577207 1047846134 /nfs/dbraw/zinc/84/61/34/1047846134.db2.gz IUUXVNSDRQGHQQ-CALCHBBNSA-N 2 0 388.968 3.956 20 30 GHEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414313233 837049524 /nfs/dbraw/zinc/04/95/24/837049524.db2.gz XSSPBIQDINGFGL-DEOSSOPVSA-N 2 0 389.543 3.942 20 30 GHEDRP CC(=O)Nc1cccc([C@@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000181434214 838362202 /nfs/dbraw/zinc/36/22/02/838362202.db2.gz HWGMECNROCVYBE-QGZVFWFLSA-N 2 0 376.504 3.832 20 30 GHEDRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000512265030 843264692 /nfs/dbraw/zinc/26/46/92/843264692.db2.gz XFSQFAXJOMFBAY-KQVJYAISSA-N 2 0 390.616 3.750 20 30 GHEDRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C(=O)NC1(C#N)CCCCC1 ZINC000604044418 861704078 /nfs/dbraw/zinc/70/40/78/861704078.db2.gz MSTYDIRKHLFWKB-UXHICEINSA-N 2 0 396.579 3.739 20 30 GHEDRP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000550263300 852188219 /nfs/dbraw/zinc/18/82/19/852188219.db2.gz XBWLGVZXQJGQTP-HSZRJFAPSA-N 2 0 375.516 3.577 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1OCC ZINC000414914199 853550075 /nfs/dbraw/zinc/55/00/75/853550075.db2.gz XNLCDBDSSMRWHC-IBGZPJMESA-N 2 0 397.357 3.892 20 30 GHEDRP N#Cc1ccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c(C(F)(F)F)c1 ZINC000594967893 858333550 /nfs/dbraw/zinc/33/35/50/858333550.db2.gz AHCGPBRQFLUROX-UHFFFAOYSA-N 2 0 388.437 3.974 20 30 GHEDRP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443601057 859022389 /nfs/dbraw/zinc/02/23/89/859022389.db2.gz GZXPSIDAQSIVEZ-OAQYLSRUSA-N 2 0 396.579 3.910 20 30 GHEDRP FC1(F)[C@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000904428183 860428351 /nfs/dbraw/zinc/42/83/51/860428351.db2.gz GFSKXCNMBZCENT-CQGIUEJESA-N 2 0 392.334 3.620 20 30 GHEDRP CC(C)[N@H+](C)Cc1nn(C2CCC(C#N)(c3ccccc3)CC2)c2c1CC[NH2+]C2 ZINC001170383499 881558950 /nfs/dbraw/zinc/55/89/50/881558950.db2.gz NYMJPZGMZPIRBK-UHFFFAOYSA-N 2 0 391.563 3.946 20 30 GHEDRP C#CCOc1ccccc1C[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000073803766 860884542 /nfs/dbraw/zinc/88/45/42/860884542.db2.gz LYQYSZHZOKSQGC-BGYRXZFFSA-N 2 0 378.516 3.598 20 30 GHEDRP C[NH+]=C(NC[C@@H]1CCOc2ccccc21)NC1CC[NH+](C2CCCCC2)CC1 ZINC000262780955 882224733 /nfs/dbraw/zinc/22/47/33/882224733.db2.gz KXCVDUCPYXLCEK-SFHVURJKSA-N 2 0 384.568 3.515 20 30 GHEDRP C[N@H+](CCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000181419244 870986356 /nfs/dbraw/zinc/98/63/56/870986356.db2.gz CJDMCPMDGKFPOP-UHFFFAOYSA-N 2 0 376.548 3.634 20 30 GHEDRP CN(C)/C=[NH+]/c1ccc(-n2c(CCC[NH3+])nc3ccc(Cl)cc32)cc1C#N ZINC001168999273 871085510 /nfs/dbraw/zinc/08/55/10/871085510.db2.gz INYVBYBHECLOIB-ZMOGYAJESA-N 2 0 380.883 3.663 20 30 GHEDRP C/C(NC1CCC(OC(=O)c2ccccc2)CC1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001169290857 871374241 /nfs/dbraw/zinc/37/42/41/871374241.db2.gz OKPSPWXKHLRKNJ-UHFFFAOYSA-N 2 0 379.504 3.822 20 30 GHEDRP C=C(C)COc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)ccc1OC ZINC000093735206 872371072 /nfs/dbraw/zinc/37/10/72/872371072.db2.gz DQSUNIBVXRNNCJ-UHFFFAOYSA-N 2 0 388.552 3.727 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(CC[N@@H+](CC)CC3CC3)CC2)CC1 ZINC000537805958 878357176 /nfs/dbraw/zinc/35/71/76/878357176.db2.gz RHVRFBGWBXCIQQ-UHFFFAOYSA-N 2 0 390.616 3.571 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000303328228 885521903 /nfs/dbraw/zinc/52/19/03/885521903.db2.gz NCQXIHLHSGWYSI-HSZRJFAPSA-N 2 0 398.595 3.799 20 30 GHEDRP COc1ccc2c(c1)C[C@@H]([N@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168256079 886820420 /nfs/dbraw/zinc/82/04/20/886820420.db2.gz BMAAKGJMIOFXPA-VABKMULXSA-N 2 0 375.516 3.806 20 30 GHEDRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]C[C@@H](O)c3ccc(C#N)cc3)cc2)C1 ZINC000763230222 888365340 /nfs/dbraw/zinc/36/53/40/888365340.db2.gz GMZJLBBSEZYWGC-KHCICDEESA-N 2 0 377.532 3.859 20 30 GHEDRP C=CCc1cc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc(OC)c1OC ZINC000817908584 895957402 /nfs/dbraw/zinc/95/74/02/895957402.db2.gz GTVFZNKPUDWSEY-HYBUGGRVSA-N 2 0 394.515 3.778 20 30 GHEDRP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001171213096 902707531 /nfs/dbraw/zinc/70/75/31/902707531.db2.gz UIQDHZPRVUQCJI-SIKLNZKXSA-N 2 0 393.531 3.838 20 30 GHEDRP CCC(CC)[NH+]1CCC(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172973672 906039305 /nfs/dbraw/zinc/03/93/05/906039305.db2.gz HXQSPXOYHQJKCH-QUCCMNQESA-N 2 0 392.588 3.768 20 30 GHEDRP N#Cc1ccc(CN2CCC([NH2+]C3CC[NH+](CC4CCCC4)CC3)CC2)cc1 ZINC000181626176 907041050 /nfs/dbraw/zinc/04/10/50/907041050.db2.gz SYDYPZLTDYCXOY-UHFFFAOYSA-N 2 0 380.580 3.767 20 30 GHEDRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccc(C#N)c1 ZINC000902871663 922571458 /nfs/dbraw/zinc/57/14/58/922571458.db2.gz RZNYVCHCRRBLFI-HSZRJFAPSA-N 2 0 390.531 3.625 20 30 GHEDRP C=CCCCCC[C@H]([NH3+])C(=O)N[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH3+] ZINC001220750805 1032100106 /nfs/dbraw/zinc/10/01/06/1032100106.db2.gz FQCNECCXFDZRBJ-JNVBVNAASA-N 2 0 389.543 3.553 20 30 GHEDRP C[NH+](C)Cc1cc(C[NH+](C)C)c(O[C@H](C#N)c2ccccc2F)c(C[NH+](C)C)c1 ZINC001227163254 1032301777 /nfs/dbraw/zinc/30/17/77/1032301777.db2.gz CJNJLRDLKCFTOV-JOCHJYFZSA-N 3 0 398.526 3.654 20 30 GHEDRP [NH2+]=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000195291126 1020970294 /nfs/dbraw/zinc/97/02/94/1020970294.db2.gz YGNSQMHUOGVYPV-MRXNPFEDSA-N 2 0 392.425 3.834 20 30 GHEDRP C[NH+]1CCN(c2ccccc2C[NH+]2CCC(C#N)(c3ccccc3F)CC2)CC1 ZINC001140976194 1023060789 /nfs/dbraw/zinc/06/07/89/1023060789.db2.gz GATAXJNHOVTEHQ-UHFFFAOYSA-N 2 0 392.522 3.635 20 30 GHEDRP C[C@@H]1C[C@@H](CNc2ncccc2C2(C#N)CC[NH+](Cc3ccccc3)CC2)C[NH2+]1 ZINC001162555578 1025791892 /nfs/dbraw/zinc/79/18/92/1025791892.db2.gz WDAWRNPSWZXVFY-TZIWHRDSSA-N 2 0 389.547 3.549 20 30 GHEDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(C#N)(c4ccccc4F)CC3)cc2)CC1 ZINC001139411511 1026284521 /nfs/dbraw/zinc/28/45/21/1026284521.db2.gz PMPIOJGRPGMNHS-UHFFFAOYSA-N 2 0 392.522 3.635 20 30 GHEDRP C=CCOc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1Cl ZINC001461716266 1069698300 /nfs/dbraw/zinc/69/83/00/1069698300.db2.gz PHGOTABUGQVTSS-UHFFFAOYSA-N 2 0 385.939 3.946 20 30 GHEDRP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(F)c(C#N)c1)CC2 ZINC001205472915 1033429159 /nfs/dbraw/zinc/42/91/59/1033429159.db2.gz LIBXMZPHHIQXOP-QFIPXVFZSA-N 2 0 393.506 3.953 20 30 GHEDRP C=CCN1C(=O)CC[C@]12CCC[N@H+](CC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001207291653 1034244177 /nfs/dbraw/zinc/24/41/77/1034244177.db2.gz VJYQNDOCAGBFRH-VWLOTQADSA-N 2 0 395.591 3.932 20 30 GHEDRP N#Cc1cc(Nc2ccc(C[NH+]3CCCCC3)c(F)c2)ccc1N1CC[NH2+]CC1 ZINC001159748892 1034732472 /nfs/dbraw/zinc/73/24/72/1034732472.db2.gz NOZMVLRHDZXCCE-UHFFFAOYSA-N 2 0 393.510 3.836 20 30 GHEDRP CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1ccc(N(C)CCC#N)cc1 ZINC001231820077 1034928541 /nfs/dbraw/zinc/92/85/41/1034928541.db2.gz LKCHFCWZCAFMKG-UHFFFAOYSA-N 2 0 387.616 3.522 20 30 GHEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001160421639 1034968813 /nfs/dbraw/zinc/96/88/13/1034968813.db2.gz COEXUPZQBKEFDP-MALNDZBISA-N 2 0 398.595 3.604 20 30 GHEDRP N#Cc1ccc(CC[N@H+]2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)cc1 ZINC001208926400 1035091411 /nfs/dbraw/zinc/09/14/11/1035091411.db2.gz GVRPPMVIZNDLJY-JOCHJYFZSA-N 2 0 396.485 3.729 20 30 GHEDRP C=CCN1CC[C@@]2(C[N@H+](C3C[C@H](CC)[NH2+][C@@H](CC)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246705177 1037558344 /nfs/dbraw/zinc/55/83/44/1037558344.db2.gz XLWAIFCRRKMATD-ISXFXILCSA-N 2 0 395.591 3.800 20 30 GHEDRP CCCCCCCC[C@H](O)C[NH2+]Cc1cccc(OCCN2CCOCC2)c1 ZINC001252119614 1038867093 /nfs/dbraw/zinc/86/70/93/1038867093.db2.gz BUGGPXXXRIFVJC-QFIPXVFZSA-N 2 0 392.584 3.599 20 30 GHEDRP CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001252126874 1038873134 /nfs/dbraw/zinc/87/31/34/1038873134.db2.gz UMDGOOMCAZRUMX-DNVJHFABSA-N 2 0 380.617 3.778 20 30 GHEDRP N#Cc1ccc2nc(C[N@@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@H]4C3)cn2c1 ZINC001237612298 1042280317 /nfs/dbraw/zinc/28/03/17/1042280317.db2.gz UYHVNGWDSBDWSR-VXKWHMMOSA-N 2 0 385.515 3.550 20 30 GHEDRP CC(C)(C)[C@@]1(C[NH2+]CCNc2ncccc2C#N)CC[N@H+](Cc2ccccc2)C1 ZINC001462685841 1070469788 /nfs/dbraw/zinc/46/97/88/1070469788.db2.gz JJGVGFIJQSPYSN-XMMPIXPASA-N 2 0 391.563 3.893 20 30 GHEDRP Cn1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4sccc4Cl)C[C@H]3CC2)cc1C#N ZINC001279371647 1047784502 /nfs/dbraw/zinc/78/45/02/1047784502.db2.gz HGYBLMUDKRBZLH-CALCHBBNSA-N 2 0 388.968 3.956 20 30 GHEDRP Cn1cc(C[NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC001308493127 1049989500 /nfs/dbraw/zinc/98/95/00/1049989500.db2.gz RTQHNUAWDHLRFM-UHFFFAOYSA-N 2 0 399.542 3.712 20 30 GHEDRP N#CCc1ccc(C[NH2+]CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001308834582 1050114694 /nfs/dbraw/zinc/11/46/94/1050114694.db2.gz GJPZXCZSIJSYOD-UHFFFAOYSA-N 2 0 392.503 3.705 20 30 GHEDRP C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC001348957533 1063442738 /nfs/dbraw/zinc/44/27/38/1063442738.db2.gz ISUNAYCTWSCIGN-GHTZIAJQSA-N 2 0 376.504 3.530 20 30 GHEDRP CC[NH+]=C(NCC1CCN(Cc2nc(C)c(C)o2)CC1)N1CCc2ccccc21 ZINC000262812077 834957444 /nfs/dbraw/zinc/95/74/44/834957444.db2.gz UQCVOLBGRVRJNP-UHFFFAOYSA-N 2 0 395.551 3.532 20 30 GHEDRP C=CCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)cc1 ZINC000245726605 844080994 /nfs/dbraw/zinc/08/09/94/844080994.db2.gz RATYFCHJENFVGZ-XZOQPEGZSA-N 2 0 399.579 3.661 20 30 GHEDRP C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000728711649 837973678 /nfs/dbraw/zinc/97/36/78/837973678.db2.gz MCSYIZXVXCNMEQ-VAMGGRTRSA-N 2 0 393.531 3.876 20 30 GHEDRP C=CCOc1ccc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000512179001 842778052 /nfs/dbraw/zinc/77/80/52/842778052.db2.gz KNFSFVAAVVIGNS-OALUTQOASA-N 2 0 388.552 3.581 20 30 GHEDRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C(=O)NC1(C#N)CCCCC1 ZINC000604045316 861656516 /nfs/dbraw/zinc/65/65/16/861656516.db2.gz OQINEHXDYBICAD-PMACEKPBSA-N 2 0 396.579 3.882 20 30 GHEDRP C[NH+]=C(NCc1nc(C(C)(C)C)cs1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000127839046 847570232 /nfs/dbraw/zinc/57/02/32/847570232.db2.gz SFHQVYGXIZLVMS-UHFFFAOYSA-N 2 0 391.629 3.903 20 30 GHEDRP COc1cccc(NC(=[NH2+])NC[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c1 ZINC000262006734 850840929 /nfs/dbraw/zinc/84/09/29/850840929.db2.gz IMQHZHUQMXTRRR-AUUYWEPGSA-N 2 0 390.890 3.907 20 30 GHEDRP C=CCN1C(=O)CC[C@]12CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)[C@H]2CC ZINC001167988019 853450250 /nfs/dbraw/zinc/45/02/50/853450250.db2.gz ONVKWQWBNVWJHS-ZJYFRZPCSA-N 2 0 385.596 3.813 20 30 GHEDRP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000330288375 862724520 /nfs/dbraw/zinc/72/45/20/862724520.db2.gz DAUAEMMQPDXSCJ-VXKWHMMOSA-N 2 0 385.552 3.507 20 30 GHEDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000485387483 856427340 /nfs/dbraw/zinc/42/73/40/856427340.db2.gz RWBKAJSMNJEVFW-QHCPKHFHSA-N 2 0 390.531 3.685 20 30 GHEDRP C#CCCOc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)cc1 ZINC000856552731 881380973 /nfs/dbraw/zinc/38/09/73/881380973.db2.gz GNPHBSVOTYKAII-XMMPIXPASA-N 2 0 393.531 3.589 20 30 GHEDRP C[NH+](C)CCC[C@H]1CN(Cc2cccc(OCc3ccccc3C#N)c2)CCO1 ZINC000597248078 859392868 /nfs/dbraw/zinc/39/28/68/859392868.db2.gz LHQXZBHAKQFHSS-DEOSSOPVSA-N 2 0 393.531 3.680 20 30 GHEDRP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123511024 859986072 /nfs/dbraw/zinc/98/60/72/859986072.db2.gz HGIGXMXXLUDSRO-OAHLLOKOSA-N 2 0 376.932 3.592 20 30 GHEDRP CCOCCC[N@@H+]1CC[C@H](/[NH+]=C/c2ccc(N(CC)CC)cc2O)[C@@H](C)C1 ZINC000734366228 864178899 /nfs/dbraw/zinc/17/88/99/864178899.db2.gz JMFXYIVBYVJVMK-NKDBKUBASA-N 2 0 375.557 3.794 20 30 GHEDRP [NH2+]=C(N[C@H]1C[C@H](c2ccccc2F)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000262862805 882264640 /nfs/dbraw/zinc/26/46/40/882264640.db2.gz ZTDIDICVQMBGTP-KESTWPANSA-N 2 0 380.511 3.641 20 30 GHEDRP N#Cc1ccc(C[NH+]2CCC(NC[C@H]3CCC[N@@H+]3C3CCCCC3)CC2)cc1 ZINC000463248391 871264774 /nfs/dbraw/zinc/26/47/74/871264774.db2.gz OXNOEVSSBPQGBO-XMMPIXPASA-N 2 0 380.580 3.909 20 30 GHEDRP CC[NH+](CC)CCCC1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000182734964 872735502 /nfs/dbraw/zinc/73/55/02/872735502.db2.gz QKIGGXKLYLLWEX-UHFFFAOYSA-N 2 0 376.570 3.782 20 30 GHEDRP [NH2+]=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000262685144 876995112 /nfs/dbraw/zinc/99/51/12/876995112.db2.gz ACKGFSSYCVKOOW-XYWHTSSQSA-N 2 0 380.511 3.641 20 30 GHEDRP C#C[C@H](NC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1F ZINC000262686190 877016193 /nfs/dbraw/zinc/01/61/93/877016193.db2.gz YKQSGUQOTIEAHV-NRFANRHFSA-N 2 0 398.913 3.722 20 30 GHEDRP [NH2+]=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1ccccc1OC(F)(F)F ZINC000179737977 877953396 /nfs/dbraw/zinc/95/33/96/877953396.db2.gz NHDSWCVWKNYNKN-UHFFFAOYSA-N 2 0 393.413 3.623 20 30 GHEDRP C[NH+](C)Cc1ccc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000859214814 883668539 /nfs/dbraw/zinc/66/85/39/883668539.db2.gz OVWDJENZAKYRFW-UHFFFAOYSA-N 2 0 384.911 3.734 20 30 GHEDRP CC(C)(C)OC(=O)N1CC[NH+](C2CCC([NH2+][C@H]3CCC[C@H](C#N)C3)CC2)CC1 ZINC000812744906 890928083 /nfs/dbraw/zinc/92/80/83/890928083.db2.gz MTIKNCJMKKTSPE-IQNGYNMSSA-N 2 0 390.572 3.522 20 30 GHEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000611622464 892291094 /nfs/dbraw/zinc/29/10/94/892291094.db2.gz JVQHVQDIGBPYPE-UPVQGACJSA-N 2 0 375.516 3.682 20 30 GHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCOc2cccc(C#N)c2)CC1 ZINC000537109290 894358411 /nfs/dbraw/zinc/35/84/11/894358411.db2.gz GYUSMZKRZXHRBL-SFHVURJKSA-N 2 0 396.510 3.569 20 30 GHEDRP CCC1(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000819190394 896460194 /nfs/dbraw/zinc/46/01/94/896460194.db2.gz PBGCXDIGYCBOLS-HSZRJFAPSA-N 2 0 377.532 3.874 20 30 GHEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H]1C ZINC000331377942 898441149 /nfs/dbraw/zinc/44/11/49/898441149.db2.gz FLTOCZFTJYECDC-HZPDHXFCSA-N 2 0 388.581 3.632 20 30 GHEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1C ZINC000331377941 898441339 /nfs/dbraw/zinc/44/13/39/898441339.db2.gz FLTOCZFTJYECDC-HOTGVXAUSA-N 2 0 388.581 3.632 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+]Cc2ccc(C[NH3+])cc2)cc1OC ZINC000570682465 899504575 /nfs/dbraw/zinc/50/45/75/899504575.db2.gz GENLLRVYLYQBGD-UHFFFAOYSA-N 2 0 391.309 3.771 20 30 GHEDRP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001171213095 902707763 /nfs/dbraw/zinc/70/77/63/902707763.db2.gz UIQDHZPRVUQCJI-KNQAVFIVSA-N 2 0 393.531 3.838 20 30 GHEDRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@H](C)Cc3ccc(C#N)cc3)CC[C@@H]21 ZINC001172306547 905461499 /nfs/dbraw/zinc/46/14/99/905461499.db2.gz DAEZZTHUKWVPTP-JFTIXFDTSA-N 2 0 391.563 3.559 20 30 GHEDRP CC[NH+](CC)[C@H]1CC[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172979913 906045878 /nfs/dbraw/zinc/04/58/78/906045878.db2.gz UABYMCQKFZTFFX-OKYOBFRVSA-N 2 0 378.561 3.521 20 30 GHEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001173418117 906447288 /nfs/dbraw/zinc/44/72/88/906447288.db2.gz KIKMCULGWYZXMY-UHFFFAOYSA-N 2 0 398.938 3.612 20 30 GHEDRP C[NH+](C)Cc1ccc(C(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001187301471 915184519 /nfs/dbraw/zinc/18/45/19/915184519.db2.gz DASUCWHGMVZLHY-YHBQERECSA-N 2 0 390.531 3.532 20 30 GHEDRP CC[NH+](CC)CCOc1ccc(CNC(=[NH2+])Nc2ccc(C)c(C)c2)cc1OC ZINC000303872034 915230169 /nfs/dbraw/zinc/23/01/69/915230169.db2.gz BSJBGMUKZXLQKR-UHFFFAOYSA-N 2 0 398.551 3.959 20 30 GHEDRP CC[NH+]1CCN([C@@H](C)C[NH+]=C(NCc2ccc(C)cc2)Nc2ccccc2)CC1 ZINC000303873804 915234002 /nfs/dbraw/zinc/23/40/02/915234002.db2.gz CTWVPHNPAJMKBE-NRFANRHFSA-N 2 0 393.579 3.579 20 30 GHEDRP C[C@H]([NH2+]C(C)(C)CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000304760883 915699119 /nfs/dbraw/zinc/69/91/19/915699119.db2.gz TUTUUEDGJAKZBG-INIZCTEOSA-N 2 0 382.508 3.704 20 30 GHEDRP C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374319025 927016066 /nfs/dbraw/zinc/01/60/66/927016066.db2.gz UYYRNKITHTXBEJ-CJFMBICVSA-N 2 0 388.559 3.683 20 30 GHEDRP N#Cc1ccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c2cc[nH]c21 ZINC001162941703 1025978962 /nfs/dbraw/zinc/97/89/62/1025978962.db2.gz ZQNDDJYVJGHFSG-OAQYLSRUSA-N 2 0 399.542 3.953 20 30 GHEDRP Cc1cccc2nc(Cl)c(C#N)c(N3CC[NH+](CC4CC[NH+](C)CC4)CC3)c12 ZINC001157847825 1033792145 /nfs/dbraw/zinc/79/21/45/1033792145.db2.gz HZWJDBGLBHJOIW-UHFFFAOYSA-N 2 0 397.954 3.532 20 30 GHEDRP C=CCN1CC[C@@]2(C[N@H+](Cc3cc4c[nH+]ccc4[nH]3)C[C@@H]2c2ccccc2)C1=O ZINC001232013180 1035042683 /nfs/dbraw/zinc/04/26/83/1035042683.db2.gz FHQMXVVZCMXTQW-QPPBQGQZSA-N 2 0 386.499 3.567 20 30 GHEDRP C=CCN(CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C(=O)OCC ZINC001209022156 1035152088 /nfs/dbraw/zinc/15/20/88/1035152088.db2.gz RCGKKEJAIFRVJX-UHFFFAOYSA-N 2 0 385.552 3.619 20 30 GHEDRP C=CCCCC[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCc2ccccn2)C1 ZINC001209203697 1035207295 /nfs/dbraw/zinc/20/72/95/1035207295.db2.gz UDSOHVVDXMRITI-VWNXMTODSA-N 2 0 383.580 3.988 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+][C@H]1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001245981384 1037105112 /nfs/dbraw/zinc/10/51/12/1037105112.db2.gz GQBFRCDFQFKXCI-GPJHCHHRSA-N 2 0 398.632 3.641 20 30 GHEDRP C=CCOC(=O)N1CCCC2(CC[NH+](C3C[C@H](CC)[NH2+][C@@H](CC)C3)CC2)C1 ZINC001246527809 1037461031 /nfs/dbraw/zinc/46/10/31/1037461031.db2.gz WSBYGBOJDVZIOP-OALUTQOASA-N 2 0 377.573 3.796 20 30 GHEDRP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+]([C@@H]3CC[NH2+]C4(CCCCC4)C3)C2)C1 ZINC001246552025 1037478501 /nfs/dbraw/zinc/47/85/01/1037478501.db2.gz UQBGMJXZTBILTE-CTNGQTDRSA-N 2 0 375.557 3.552 20 30 GHEDRP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)CC2 ZINC001246630929 1037518034 /nfs/dbraw/zinc/51/80/34/1037518034.db2.gz MDFKVGVDMOCUAR-SFHVURJKSA-N 2 0 375.516 3.635 20 30 GHEDRP N#Cc1ccc(O[C@@H]2CCC[N@@H+]([C@@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)C2)cc1 ZINC001246970970 1037795276 /nfs/dbraw/zinc/79/52/76/1037795276.db2.gz XLKNFZJQYDEVTB-WMTXJRDZSA-N 2 0 375.516 3.765 20 30 GHEDRP COc1ccc(C[N@H+](CCCc2ccc(C#N)cc2)C2CC[NH2+]CC2)cc1F ZINC001236514593 1041748329 /nfs/dbraw/zinc/74/83/29/1041748329.db2.gz DUUCXMSCWNQYEZ-UHFFFAOYSA-N 2 0 381.495 3.893 20 30 GHEDRP CC(=O)n1ccc2cc(C[C@H](C)[NH2+]C3CC[NH+](CC(C)C)CC3)cc(C#N)c21 ZINC001258005941 1044332675 /nfs/dbraw/zinc/33/26/75/1044332675.db2.gz YEIHCIFOBGELLC-KRWDZBQOSA-N 2 0 380.536 3.814 20 30 GHEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C2CC(C#N)(c3ccccc3)C2)CC1 ZINC001320870703 1055994428 /nfs/dbraw/zinc/99/44/28/1055994428.db2.gz SLLFLFHNTSRBOT-UHFFFAOYSA-N 2 0 388.559 3.538 20 30 GHEDRP N#Cc1ccc(C[NH+]2CCC(NC[C@@H]3CC[N@@H+]3C3CCCCCC3)CC2)cc1 ZINC001474239485 1074305275 /nfs/dbraw/zinc/30/52/75/1074305275.db2.gz ZINHZQOCGOWLOS-DEOSSOPVSA-N 2 0 380.580 3.909 20 30 GHEDRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278761564 834533447 /nfs/dbraw/zinc/53/34/47/834533447.db2.gz XHIICQCYSOBLOY-PMACEKPBSA-N 2 0 394.567 3.706 20 30 GHEDRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccc(Cl)cc3C#N)CC2)CC1 ZINC000480577999 835113967 /nfs/dbraw/zinc/11/39/67/835113967.db2.gz JPOVINTYENJESZ-UHFFFAOYSA-N 2 0 388.987 3.840 20 30 GHEDRP C#CCOc1ccccc1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000759821163 841846040 /nfs/dbraw/zinc/84/60/40/841846040.db2.gz IFQMJOVQHXPXFB-UHFFFAOYSA-N 2 0 377.532 3.519 20 30 GHEDRP N#CCc1cccc2c1CC[NH+](C/C=C\C[N@H+]1CCc3c(CC#N)cccc3C1)C2 ZINC000599676344 861473788 /nfs/dbraw/zinc/47/37/88/861473788.db2.gz AWCQBGDNFQLUCR-UPHRSURJSA-N 2 0 396.538 3.791 20 30 GHEDRP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433124412 845453416 /nfs/dbraw/zinc/45/34/16/845453416.db2.gz CDKRBLOTDXEZGC-NRFANRHFSA-N 2 0 383.580 3.788 20 30 GHEDRP C=CCOc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1Cl ZINC000657593909 848285027 /nfs/dbraw/zinc/28/50/27/848285027.db2.gz CIYATYVCABOCKA-HXUWFJFHSA-N 2 0 386.923 3.761 20 30 GHEDRP N#Cc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000550263301 852187380 /nfs/dbraw/zinc/18/73/80/852187380.db2.gz XBWLGVZXQJGQTP-QHCPKHFHSA-N 2 0 375.516 3.577 20 30 GHEDRP C=CCOc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1OC ZINC000507720273 853202068 /nfs/dbraw/zinc/20/20/68/853202068.db2.gz NUVKCTFHHSLTRI-UHFFFAOYSA-N 2 0 388.552 3.584 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)N(CC)[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000473961367 854440572 /nfs/dbraw/zinc/44/05/72/854440572.db2.gz WNIPSMUJBSWJKU-SIKLNZKXSA-N 2 0 384.568 3.504 20 30 GHEDRP CC(C)(C#N)c1ccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000594506842 858197137 /nfs/dbraw/zinc/19/71/37/858197137.db2.gz FKJVFJDFQKQPGS-UHFFFAOYSA-N 2 0 377.532 3.604 20 30 GHEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000595066809 858370897 /nfs/dbraw/zinc/37/08/97/858370897.db2.gz FGLUBOWJUYRWKP-VWNXMTODSA-N 2 0 375.516 3.682 20 30 GHEDRP COc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ccc1C#N ZINC000521945006 858477228 /nfs/dbraw/zinc/47/72/28/858477228.db2.gz ZPXMNUAEEOYRFY-YTFSRNRJSA-N 2 0 375.516 3.957 20 30 GHEDRP C=CCOc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)cc1 ZINC000856553546 881384868 /nfs/dbraw/zinc/38/48/68/881384868.db2.gz BYQZIQKQWYRPGA-QHCPKHFHSA-N 2 0 381.520 3.751 20 30 GHEDRP Cc1cc(C#N)ccc1C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856604131 881580669 /nfs/dbraw/zinc/58/06/69/881580669.db2.gz JRMVJBAXZSMTKS-QHCPKHFHSA-N 2 0 378.520 3.755 20 30 GHEDRP Cc1ccc(NC(=[NH2+])NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1C ZINC000303906050 866398043 /nfs/dbraw/zinc/39/80/43/866398043.db2.gz VVDCFTJUKBWYBC-KDURUIRLSA-N 2 0 380.536 3.839 20 30 GHEDRP N#CC1(c2ccccn2)CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000619726155 872926229 /nfs/dbraw/zinc/92/62/29/872926229.db2.gz HBPKBLKGLPXBNT-UHFFFAOYSA-N 2 0 390.531 3.614 20 30 GHEDRP CC1(C#N)CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000449345423 874737477 /nfs/dbraw/zinc/73/74/77/874737477.db2.gz VMSVHQUROKSMEC-DDRJZQQSSA-N 2 0 381.564 3.977 20 30 GHEDRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccc(C#N)c(C)c3)CC2)c1 ZINC000443962394 877085833 /nfs/dbraw/zinc/08/58/33/877085833.db2.gz QUYNWQZFPNLTGR-UHFFFAOYSA-N 2 0 376.548 3.867 20 30 GHEDRP C=CCN(CC=C)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000615319892 877634540 /nfs/dbraw/zinc/63/45/40/877634540.db2.gz OJIABIIOONOAFL-ACRUOGEOSA-N 2 0 383.580 3.843 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CC)[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000135419961 883371855 /nfs/dbraw/zinc/37/18/55/883371855.db2.gz KPTZGFQLVWVXPC-NZQKXSOJSA-N 2 0 398.595 3.894 20 30 GHEDRP N#CCOc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001137124179 893717905 /nfs/dbraw/zinc/71/79/05/893717905.db2.gz SNZGAOBHYGBPRR-XZOQPEGZSA-N 2 0 375.516 3.933 20 30 GHEDRP C[C@@H]1C[C@@H](NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171734610 905018245 /nfs/dbraw/zinc/01/82/45/905018245.db2.gz OVGVFDJMDAVSBS-ZJSXRUAMSA-N 2 0 388.559 3.797 20 30 GHEDRP C[C@@H](CCCC#N)[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCc2ccccn2)C1 ZINC001172496091 905597787 /nfs/dbraw/zinc/59/77/87/905597787.db2.gz XHGDCGOHNSRCQC-BGWNEDDSSA-N 2 0 396.579 3.714 20 30 GHEDRP CC1(C#N)CCC([N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@@H]3COCC3CC3)C2)CC1 ZINC001173595424 906549101 /nfs/dbraw/zinc/54/91/01/906549101.db2.gz OVUIKGCOWAMKTI-ABZZFDDBSA-N 2 0 385.596 3.919 20 30 GHEDRP C[N@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](C1CCC(C)(C#N)CC1)CC2 ZINC001173594969 906549498 /nfs/dbraw/zinc/54/94/98/906549498.db2.gz JDXJTGNDBWWORD-ATKRNPRHSA-N 2 0 382.552 3.609 20 30 GHEDRP Cc1ccc([C@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)[NH+]2CCCC2)cc1 ZINC000304495866 915525225 /nfs/dbraw/zinc/52/52/25/915525225.db2.gz NMZPROSBTXFRCC-SFTDATJTSA-N 2 0 378.520 3.560 20 30 GHEDRP C[C@H]1CCC[N@H+](CCCCNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000304491558 915525327 /nfs/dbraw/zinc/52/53/27/915525327.db2.gz NZBMRPULIIQOKA-HNNXBMFYSA-N 2 0 386.462 3.502 20 30 GHEDRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000304504422 915526144 /nfs/dbraw/zinc/52/61/44/915526144.db2.gz TUODRBDYADMTHQ-OAHLLOKOSA-N 2 0 386.462 3.644 20 30 GHEDRP C=C(C)C[NH+]1CCC(Nc2cc(NC3CC[NH+](CC(=C)C)CC3)[nH+]c(C)n2)CC1 ZINC000676877012 924124232 /nfs/dbraw/zinc/12/42/32/924124232.db2.gz NSJSKDYBPCHJIZ-UHFFFAOYSA-N 3 0 398.599 3.690 20 30 GHEDRP C=CCC[C@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)c1ccc(C(F)(F)F)cc1 ZINC000411477186 926433336 /nfs/dbraw/zinc/43/33/36/926433336.db2.gz CPHIPDVREHLWNY-IBGZPJMESA-N 2 0 397.485 3.903 20 30 GHEDRP CCc1cccc(NC(=[NH2+])NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c1 ZINC000304750322 1021154720 /nfs/dbraw/zinc/15/47/20/1021154720.db2.gz IGJIWZISNWTBAI-SFHVURJKSA-N 2 0 380.536 3.876 20 30 GHEDRP COc1cc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)cc(C[NH+](C)C)c1O ZINC001139259413 1026109447 /nfs/dbraw/zinc/10/94/47/1026109447.db2.gz VCEBLDHJPVXOIO-UHFFFAOYSA-N 2 0 379.504 3.714 20 30 GHEDRP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)c(F)c1)CC2 ZINC001139528095 1026385994 /nfs/dbraw/zinc/38/59/94/1026385994.db2.gz MKLVTMOGEXQMEP-IBGZPJMESA-N 2 0 383.467 3.546 20 30 GHEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(N(c2cccc(C[NH3+])c2)S(C)(=O)=O)cc1 ZINC001166503862 1027018207 /nfs/dbraw/zinc/01/82/07/1027018207.db2.gz WWQXXKDSAHOGEA-OAQYLSRUSA-N 2 0 385.533 3.566 20 30 GHEDRP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccc(C#N)cc4)CC3)C2)cc1 ZINC001203901492 1027694174 /nfs/dbraw/zinc/69/41/74/1027694174.db2.gz OAENFAKEVUMKGE-UHFFFAOYSA-N 2 0 375.516 3.734 20 30 GHEDRP C=CC[N@@H+]1CCc2c(Cl)c(O[C@@H]3C[NH2+][C@H]3C)c(O)cc2[C@@H](c2ccccc2)C1 ZINC001218393744 1030917789 /nfs/dbraw/zinc/91/77/89/1030917789.db2.gz VWSBYBKDTLFIQN-NYSBEXSLSA-N 2 0 398.934 3.961 20 30 GHEDRP C=CCOC[C@H]1CCC[C@@]12C[N@H+](CC1CC[NH+](Cc3ccccc3)CC1)CCO2 ZINC001207290840 1034241947 /nfs/dbraw/zinc/24/19/47/1034241947.db2.gz HKBZEJXCTOIRFW-JWQCQUIFSA-N 2 0 398.591 3.972 20 30 GHEDRP C[NH+]1CCC(COc2ccc(Nc3cc(C#N)cc(C4C[NH2+]C4)c3)cc2)CC1 ZINC001160126963 1034873723 /nfs/dbraw/zinc/87/37/23/1034873723.db2.gz PEBGUTMDRXFEJG-UHFFFAOYSA-N 2 0 376.504 3.709 20 30 GHEDRP CN(CCC#N)c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001231821169 1034929490 /nfs/dbraw/zinc/92/94/90/1034929490.db2.gz ROXIJPYCUKIECD-BJKOFHAPSA-N 2 0 388.559 3.990 20 30 GHEDRP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208935790 1035102044 /nfs/dbraw/zinc/10/20/44/1035102044.db2.gz LQZPGPZRIKEDPD-KMDXXIMOSA-N 2 0 384.564 3.725 20 30 GHEDRP N#Cc1cc(-c2ccc(COC3CC[NH2+]CC3)cc2)ccc1OC1CC[NH2+]CC1 ZINC001245408061 1036911308 /nfs/dbraw/zinc/91/13/08/1036911308.db2.gz PJTSXHQGQJPSQV-UHFFFAOYSA-N 2 0 391.515 3.625 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]C[C@@H]([NH3+])C(C)C ZINC001245999431 1037112863 /nfs/dbraw/zinc/11/28/63/1037112863.db2.gz ADKCCPAFWYYEJP-FCHUYYIVSA-N 2 0 388.637 3.874 20 30 GHEDRP N#CC1(c2ccc(F)cc2)CCC([NH2+]Cc2ccccc2N2CC[NH2+]CC2)CC1 ZINC001246319226 1037292699 /nfs/dbraw/zinc/29/26/99/1037292699.db2.gz NQWFESJNDFYSMY-UHFFFAOYSA-N 2 0 392.522 3.729 20 30 GHEDRP CC(C)(C)c1ccc(-c2noc([C@H]3CCC[N@@H+](C4CC[NH2+]CC4)C3)n2)c(C#N)c1 ZINC001247904361 1038475443 /nfs/dbraw/zinc/47/54/43/1038475443.db2.gz DNZNBCJQALOFQL-INIZCTEOSA-N 2 0 393.535 3.837 20 30 GHEDRP N#Cc1ccc(Br)c(C[NH+]2CCC3(CC2)C[NH2+]Cc2ccccc23)c1 ZINC001235095039 1040585300 /nfs/dbraw/zinc/58/53/00/1040585300.db2.gz SQWWHGOOIULABH-UHFFFAOYSA-N 2 0 396.332 3.958 20 30 GHEDRP CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235375377 1040886828 /nfs/dbraw/zinc/88/68/28/1040886828.db2.gz ZNURZLSCNDLTRS-UKILVPOCSA-N 2 0 388.559 3.790 20 30 GHEDRP CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001235401089 1040914986 /nfs/dbraw/zinc/91/49/86/1040914986.db2.gz FMYFTKQNYQHIOP-XZOQPEGZSA-N 2 0 378.495 3.850 20 30 GHEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H](C)CSc2ccc(F)cc2)CC1 ZINC001255750132 1041271407 /nfs/dbraw/zinc/27/14/07/1041271407.db2.gz ZNJPKTWAPQIOLL-IBGZPJMESA-N 2 0 377.573 3.598 20 30 GHEDRP N#Cc1ccc(OC2CC[NH+](Cc3cc4c(s3)C[NH2+]CC4)CC2)cc1Cl ZINC001235970103 1041475361 /nfs/dbraw/zinc/47/53/61/1041475361.db2.gz IKMIEOZLRKCAFT-UHFFFAOYSA-N 2 0 387.936 3.962 20 30 GHEDRP C=CCOC(=O)N1CCCC2(CC[NH+](C3CCN(c4cc[nH+]cc4)CC3)CC2)C1 ZINC001256855157 1043703363 /nfs/dbraw/zinc/70/33/63/1043703363.db2.gz GFEDVUHXWAITQQ-UHFFFAOYSA-N 2 0 398.551 3.551 20 30 GHEDRP COC[C@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+](C1CCC(C#N)CC1)CC2 ZINC001256967045 1043776485 /nfs/dbraw/zinc/77/64/85/1043776485.db2.gz TWFDMUOYCSQVPB-CTWPCTMYSA-N 2 0 388.581 3.528 20 30 GHEDRP C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H](C)CCC[NH+](CC)CC)CC2)C1 ZINC001258907163 1044860679 /nfs/dbraw/zinc/86/06/79/1044860679.db2.gz GRJGEQFCCBGGBY-FQEVSTJZSA-N 2 0 379.589 3.998 20 30 GHEDRP CCCCCCCCCNC(=S)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001200376575 1066026962 /nfs/dbraw/zinc/02/69/62/1066026962.db2.gz GWZTUUKMDVFAQV-UHFFFAOYSA-N 2 0 382.662 3.571 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000159252411 835783083 /nfs/dbraw/zinc/78/30/83/835783083.db2.gz OWOFAFXHMPEPRT-NFBKMPQASA-N 2 0 398.595 3.721 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1OC ZINC000503902729 849751113 /nfs/dbraw/zinc/75/11/13/849751113.db2.gz PGNSWRPUQGMGSM-UHFFFAOYSA-N 2 0 397.357 3.844 20 30 GHEDRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C(=O)Nc1cccc(C#N)c1 ZINC000515756783 851438831 /nfs/dbraw/zinc/43/88/31/851438831.db2.gz CQOZYCCATPAILC-RTBURBONSA-N 2 0 390.531 3.907 20 30 GHEDRP CN1CCC([NH+]2CCC(CC[N@H+](C)CC#Cc3cccc(Cl)c3)CC2)CC1 ZINC000438461447 852439063 /nfs/dbraw/zinc/43/90/63/852439063.db2.gz ZTBLARMSKNNZLJ-UHFFFAOYSA-N 2 0 387.999 3.820 20 30 GHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000765781662 854813630 /nfs/dbraw/zinc/81/36/30/854813630.db2.gz WHOHKTDCTBDTMY-SFHVURJKSA-N 2 0 379.976 3.742 20 30 GHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000765941989 856652094 /nfs/dbraw/zinc/65/20/94/856652094.db2.gz ICTMACOTCOANPW-MJGOQNOKSA-N 2 0 377.960 3.637 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1 ZINC000592484781 856893451 /nfs/dbraw/zinc/89/34/51/856893451.db2.gz QEDAXBWMOSGXDZ-LJQANCHMSA-N 2 0 384.568 3.511 20 30 GHEDRP C[NH+](C)CCCC1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000123513913 859988009 /nfs/dbraw/zinc/98/80/09/859988009.db2.gz YNBPENMSGADESG-UHFFFAOYSA-N 2 0 376.932 3.594 20 30 GHEDRP C=CCOc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1OC ZINC000904476220 860468887 /nfs/dbraw/zinc/46/88/87/860468887.db2.gz SOXCGAOQDCXMAJ-AUSIDOKSSA-N 2 0 380.488 3.606 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)N(CCC)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000171739912 865349972 /nfs/dbraw/zinc/34/99/72/865349972.db2.gz DZDGCVDQAFHZPB-HSZRJFAPSA-N 2 0 398.595 3.723 20 30 GHEDRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccc(O[C@H](C)C#N)cc3)CC2)cc1 ZINC000237290720 866151425 /nfs/dbraw/zinc/15/14/25/866151425.db2.gz BVIUYGJCERRWDB-LJQANCHMSA-N 2 0 393.531 3.988 20 30 GHEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCC(=O)N1Cc3ccccc3C#Cc3ccccc31)C2 ZINC001169114799 871247388 /nfs/dbraw/zinc/24/73/88/871247388.db2.gz YQKQWKLQNHJOFF-JOZNFPNDSA-N 2 0 399.538 3.538 20 30 GHEDRP C[C@@H]1CCCC[N@@H+]1CCC1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000478047329 872417311 /nfs/dbraw/zinc/41/73/11/872417311.db2.gz PYPXKTYRSJHJCW-AUSIDOKSSA-N 2 0 394.563 3.640 20 30 GHEDRP C=CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000775665517 872518015 /nfs/dbraw/zinc/51/80/15/872518015.db2.gz RFQDSOOQFIYZLK-UHFFFAOYSA-N 2 0 380.492 3.535 20 30 GHEDRP N#CC1(c2ccc(C[NH2+]CCCN3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC001199190036 874844513 /nfs/dbraw/zinc/84/45/13/874844513.db2.gz RITHRSUBIMOUDN-UHFFFAOYSA-N 2 0 388.559 3.539 20 30 GHEDRP CC[N@H+](CCC1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1)CC1CC1 ZINC000537847179 878387244 /nfs/dbraw/zinc/38/72/44/878387244.db2.gz QXGCEOQAVXYQGY-UHFFFAOYSA-N 2 0 382.552 3.721 20 30 GHEDRP C#CCCOc1ccc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000113318379 880502973 /nfs/dbraw/zinc/50/29/73/880502973.db2.gz UOSDTSUUUAKBSG-NHCUHLMSSA-N 2 0 392.543 3.988 20 30 GHEDRP COc1ccc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)c(CC#N)c1 ZINC001170528478 885585438 /nfs/dbraw/zinc/58/54/38/885585438.db2.gz QNAFVMYXPIWHKY-UHFFFAOYSA-N 2 0 388.515 3.671 20 30 GHEDRP N#CCCOc1ccc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)cc1 ZINC001170529322 885612754 /nfs/dbraw/zinc/61/27/54/885612754.db2.gz ZVZDESHWHQAORL-UHFFFAOYSA-N 2 0 388.515 3.889 20 30 GHEDRP CC(C)C[N@@H+](CC(=O)Nc1ccccc1SCC#N)CC1CC[NH+](C)CC1 ZINC000879702996 895242290 /nfs/dbraw/zinc/24/22/90/895242290.db2.gz BEBZREITUVAXEF-UHFFFAOYSA-N 2 0 388.581 3.541 20 30 GHEDRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000818961691 896266905 /nfs/dbraw/zinc/26/69/05/896266905.db2.gz VHJHKIWKTHIEFE-KHCICDEESA-N 2 0 377.532 3.859 20 30 GHEDRP N#CC1(c2cccnc2NC[C@H]2CCCC[NH2+]2)CC[NH+](Cc2ccccc2)CC1 ZINC001171327662 904020370 /nfs/dbraw/zinc/02/03/70/904020370.db2.gz IFQVUDSULMMJAA-OAQYLSRUSA-N 2 0 389.547 3.693 20 30 GHEDRP C=CCOC1CCC([NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)CC1 ZINC001173320245 906391572 /nfs/dbraw/zinc/39/15/72/906391572.db2.gz JOSDDDCDMZPIAE-UHFFFAOYSA-N 2 0 384.564 3.867 20 30 GHEDRP N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)CC2)cc1 ZINC001173432278 906468469 /nfs/dbraw/zinc/46/84/69/906468469.db2.gz XCPVDZHUJKVRBQ-JOCHJYFZSA-N 2 0 394.563 3.503 20 30 GHEDRP C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179389707 906491207 /nfs/dbraw/zinc/49/12/07/906491207.db2.gz NVCWGPBPPHBYEA-SFHVURJKSA-N 2 0 391.519 3.519 20 30 GHEDRP C[NH+]1CCN(c2ccc(CC[NH2+]Cc3ccc(C(C)(C)C#N)cc3)cc2)CC1 ZINC001179830773 909752340 /nfs/dbraw/zinc/75/23/40/909752340.db2.gz VXLDNNCEWCEYFY-UHFFFAOYSA-N 2 0 376.548 3.572 20 30 GHEDRP COc1ccc(OC)c(NC(=[NH2+])NCc2ccccc2C[NH+]2CCC(C)CC2)c1 ZINC000303787552 915129530 /nfs/dbraw/zinc/12/95/30/915129530.db2.gz SMXODQRFQQUXIS-UHFFFAOYSA-N 2 0 396.535 3.863 20 30 GHEDRP CC(C)[N@H+](C)Cc1ccccc1CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000303873133 915232337 /nfs/dbraw/zinc/23/23/37/915232337.db2.gz CFWQWJSNCRYIEH-UHFFFAOYSA-N 2 0 382.508 3.615 20 30 GHEDRP COc1ccc(C[NH+]2CCC(CNC(=[NH2+])Nc3ccc4c(c3)CCC4)CC2)cc1 ZINC000303891487 915300087 /nfs/dbraw/zinc/30/00/87/915300087.db2.gz QSQCIBSDSFFGMR-UHFFFAOYSA-N 2 0 392.547 3.823 20 30 GHEDRP COc1ccc(NC(=[NH2+])NCc2ccc(OCCC[NH+](C)C)cc2)cc1Cl ZINC000303981731 915348537 /nfs/dbraw/zinc/34/85/37/915348537.db2.gz PKNUSMWALLCFRR-UHFFFAOYSA-N 2 0 390.915 3.606 20 30 GHEDRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])N2CCCCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000304758241 915674493 /nfs/dbraw/zinc/67/44/93/915674493.db2.gz PSNLVUCEIPDXKY-WMZOPIPTSA-N 2 0 382.474 3.889 20 30 GHEDRP N#Cc1cnc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c(Cl)c1 ZINC001155357367 1032516500 /nfs/dbraw/zinc/51/65/00/1032516500.db2.gz FLYOYWMDXTVVNJ-IBGZPJMESA-N 2 0 395.938 3.520 20 30 GHEDRP Cn1cc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000778097341 1018388671 /nfs/dbraw/zinc/38/86/71/1018388671.db2.gz ZCCLORZTHUOFKU-UHFFFAOYSA-N 2 0 377.536 3.845 20 30 GHEDRP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccc(-n3ccnc3C)cc1)C2 ZINC001138544475 1024988727 /nfs/dbraw/zinc/98/87/27/1024988727.db2.gz JGTHGRQPTCKWBM-HSZRJFAPSA-N 2 0 378.520 3.714 20 30 GHEDRP C=C(C)COc1ccccc1CN1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001138661424 1025181037 /nfs/dbraw/zinc/18/10/37/1025181037.db2.gz XDOBXSOJLMUYME-VWNXMTODSA-N 2 0 384.564 3.822 20 30 GHEDRP C=CCCC[C@H](C(=O)Nc1cc(N2CCN(C)CC2)cc[nH+]1)c1ccccc1 ZINC001151289037 1030845719 /nfs/dbraw/zinc/84/57/19/1030845719.db2.gz DCQKUYWUQDUUKQ-NRFANRHFSA-N 2 0 378.520 3.912 20 30 GHEDRP C#Cc1ccc(C[NH2+]CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001205881025 1033617825 /nfs/dbraw/zinc/61/78/25/1033617825.db2.gz AZJADTZBBAWMEQ-UHFFFAOYSA-N 2 0 377.488 3.620 20 30 GHEDRP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207291533 1034244395 /nfs/dbraw/zinc/24/43/95/1034244395.db2.gz RLQJAMBGEMKWEC-ZEQRLZLVSA-N 2 0 384.564 3.725 20 30 GHEDRP CN(CCC#N)c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001231821171 1034929106 /nfs/dbraw/zinc/92/91/06/1034929106.db2.gz ROXIJPYCUKIECD-RPWUZVMVSA-N 2 0 388.559 3.990 20 30 GHEDRP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208936619 1035103519 /nfs/dbraw/zinc/10/35/19/1035103519.db2.gz ODCBWZBJDNKLSO-ISJGIBHGSA-N 2 0 398.591 3.972 20 30 GHEDRP C=CCN1C(=O)CCC[C@@]12CCC[N@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208938104 1035104898 /nfs/dbraw/zinc/10/48/98/1035104898.db2.gz UVSBOAPMPWHGDX-NOZRDPDXSA-N 2 0 395.591 3.932 20 30 GHEDRP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3CC[NH2+][C@H](C(C)(C)C)C3)C2)CC1 ZINC001246523297 1037454567 /nfs/dbraw/zinc/45/45/67/1037454567.db2.gz AIMSSGXBOJWSCB-MOPGFXCFSA-N 2 0 377.573 3.654 20 30 GHEDRP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+]([C@H]3CC[NH2+]C4(CCCCC4)C3)C2)C1 ZINC001246552033 1037476484 /nfs/dbraw/zinc/47/64/84/1037476484.db2.gz UQBGMJXZTBILTE-FPOVZHCZSA-N 2 0 375.557 3.552 20 30 GHEDRP C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H]1CC[NH2+][C@@H](Cc3ccccc3)C1)[C@H]2CC ZINC001246703038 1037556026 /nfs/dbraw/zinc/55/60/26/1037556026.db2.gz HPLXBNSQGGEXKK-LCXINAFSSA-N 2 0 395.591 3.771 20 30 GHEDRP N#Cc1ccccc1OC1CC[NH+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC001246852089 1037677519 /nfs/dbraw/zinc/67/75/19/1037677519.db2.gz PAXJASTXXRHDSU-VXKWHMMOSA-N 2 0 375.516 3.765 20 30 GHEDRP C=CCCCCCC[C@@H](O)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001253237876 1039494991 /nfs/dbraw/zinc/49/49/91/1039494991.db2.gz NZPFMOTWZGDSQH-ZRBLBEILSA-N 2 0 378.601 3.554 20 30 GHEDRP C=CCOCc1nn([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2c1C[NH2+]C2 ZINC001255142158 1040850364 /nfs/dbraw/zinc/85/03/64/1040850364.db2.gz PURRMQPGCIMANZ-PMOLBWCYSA-N 2 0 378.520 3.557 20 30 GHEDRP N#Cc1ccc(Oc2ccc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cn2)cc1 ZINC001235426408 1040927695 /nfs/dbraw/zinc/92/76/95/1040927695.db2.gz KUERMKCCFIFJNM-NHCUHLMSSA-N 2 0 376.504 3.957 20 30 GHEDRP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+]([C@@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255404428 1040992219 /nfs/dbraw/zinc/99/22/19/1040992219.db2.gz SNDHNGMAECYJBU-SGNDLWITSA-N 2 0 384.564 3.867 20 30 GHEDRP N#Cc1ccc(C[NH+]2CCC(CC3CC[NH2+]CC3)CC2)cc1Br ZINC001236963289 1041971442 /nfs/dbraw/zinc/97/14/42/1041971442.db2.gz ZMFPZYQEBOMGIA-UHFFFAOYSA-N 2 0 376.342 3.922 20 30 GHEDRP C=CCOC[C@H]1c2c(ncn2C)CCN1Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237884061 1042409299 /nfs/dbraw/zinc/40/92/99/1042409299.db2.gz YRDBOJRGSIVZCE-QFIPXVFZSA-N 2 0 392.547 3.723 20 30 GHEDRP N#CC1(NC2CC[NH+](Cc3ccccc3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001256600826 1043563915 /nfs/dbraw/zinc/56/39/15/1043563915.db2.gz HLSVUVVSSQIZQZ-UHFFFAOYSA-N 2 0 388.559 3.799 20 30 GHEDRP C=C1C[C@@H]2CC([NH2+][C@H]3CCc4c(ccc(=O)n4CC[NH+]4CCCC4)C3)C[C@H](C1)C2 ZINC001257886529 1044245158 /nfs/dbraw/zinc/24/51/58/1044245158.db2.gz IFCNXNCFDSHNMS-IHASJPSXSA-N 2 0 395.591 3.526 20 30 GHEDRP C=CCC[C@H](C)[NH+]1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001258728497 1044734104 /nfs/dbraw/zinc/73/41/04/1044734104.db2.gz NXZDMFIKPZCOSP-LEWJYISDSA-N 2 0 397.607 3.930 20 30 GHEDRP C[C@@H]1C[C@@H](CC[NH2+]CCC(=O)Nc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC001261436924 1045998830 /nfs/dbraw/zinc/99/88/30/1045998830.db2.gz OWLUYJHSEHFHPQ-DENIHFKCSA-N 2 0 390.531 3.777 20 30 GHEDRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001308487596 1049987453 /nfs/dbraw/zinc/98/74/53/1049987453.db2.gz CWGXVNPZLLJORZ-CVDCTZTESA-N 2 0 399.542 3.816 20 30 GHEDRP C=C(CC[NH+](C)C)C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC001442733858 1058999723 /nfs/dbraw/zinc/99/97/23/1058999723.db2.gz YPBZFELVMABYAH-UHFFFAOYSA-N 2 0 398.378 3.926 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000509727156 840118524 /nfs/dbraw/zinc/11/85/24/840118524.db2.gz DFJGHUILOKOYPR-RBBKRZOGSA-N 2 0 398.595 3.627 20 30 GHEDRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccccc1C#N ZINC000025702333 861485132 /nfs/dbraw/zinc/48/51/32/861485132.db2.gz CQUAWPXXASMUFG-SFHVURJKSA-N 2 0 376.504 3.661 20 30 GHEDRP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433124282 845452689 /nfs/dbraw/zinc/45/26/89/845452689.db2.gz AYTFGKVNJGHYGI-NRFANRHFSA-N 2 0 381.564 3.564 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+]C2CCC([NH+](C)C)CC2)cc1OC ZINC000421380733 846190697 /nfs/dbraw/zinc/19/06/97/846190697.db2.gz ZIEIGCWTYZRDIN-UHFFFAOYSA-N 2 0 397.357 3.985 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1OCC ZINC000666950675 852761189 /nfs/dbraw/zinc/76/11/89/852761189.db2.gz AHJKTAALDCVBNM-KRWDZBQOSA-N 2 0 395.341 3.644 20 30 GHEDRP C[NH+](C)CCOc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000589188164 854739029 /nfs/dbraw/zinc/73/90/29/854739029.db2.gz CSBSYOZXHWNXTM-UHFFFAOYSA-N 2 0 397.494 3.681 20 30 GHEDRP C#CCOc1ccc(C[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000733324214 862866461 /nfs/dbraw/zinc/86/64/61/862866461.db2.gz ODMRXNUOIJLQHB-UHFFFAOYSA-N 2 0 391.559 3.699 20 30 GHEDRP FC1(F)[C@@H]2C[NH+](CCCC3CC[NH2+]CC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923529326 859398408 /nfs/dbraw/zinc/39/84/08/859398408.db2.gz CVZSNJQBOKKIPW-VXGBXAGGSA-N 2 0 394.350 3.869 20 30 GHEDRP C[C@H]1C[NH+](Cc2ccc(CNC(=[NH2+])Nc3ccc4c(c3)CCC4)cc2)C[C@H](C)O1 ZINC000303908938 866399116 /nfs/dbraw/zinc/39/91/16/866399116.db2.gz XYSQDMCWUPRDME-ROUUACIJSA-N 2 0 392.547 3.711 20 30 GHEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000617584303 870466877 /nfs/dbraw/zinc/46/68/77/870466877.db2.gz SXVXAVHEFTUCSI-ISKFKSNPSA-N 2 0 375.516 3.816 20 30 GHEDRP COc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1OC ZINC000304794415 878733111 /nfs/dbraw/zinc/73/31/11/878733111.db2.gz LYHKBRHCOIAEBN-IFXJQAMLSA-N 2 0 388.537 3.575 20 30 GHEDRP C#CCCOc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000113318375 880503250 /nfs/dbraw/zinc/50/32/50/880503250.db2.gz UOSDTSUUUAKBSG-OYRHEFFESA-N 2 0 392.543 3.988 20 30 GHEDRP Cc1ccc(C(=O)C(C(=S)NCC(C)(C)C[NH+](C)C)[n+]2ccccc2)cc1C ZINC000170715513 884529562 /nfs/dbraw/zinc/52/95/62/884529562.db2.gz ORPCOWJRCPFCGL-UHFFFAOYSA-O 2 0 398.596 3.707 20 30 GHEDRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccccn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000262544889 892295850 /nfs/dbraw/zinc/29/58/50/892295850.db2.gz UOUJREQZNZZKOS-MAUKXSAKSA-N 2 0 391.441 3.910 20 30 GHEDRP C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000132665730 903292140 /nfs/dbraw/zinc/29/21/40/903292140.db2.gz DPYPMFMLMIBAMV-IBGZPJMESA-N 2 0 378.516 3.506 20 30 GHEDRP CC[NH+](CC)Cc1cc(C(F)(F)F)ccc1NC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001171261044 903411189 /nfs/dbraw/zinc/41/11/89/903411189.db2.gz PZESNTJERUBMQC-UHFFFAOYSA-N 2 0 392.425 3.683 20 30 GHEDRP COC[C@@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+]([C@@H](C)CCCC#N)CC2 ZINC001172497159 905599730 /nfs/dbraw/zinc/59/97/30/905599730.db2.gz YYTKWZGJVVTLCV-ROUUACIJSA-N 2 0 376.570 3.528 20 30 GHEDRP COc1ccc(NC(=[NH2+])NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)cc1OC ZINC000303879632 915238140 /nfs/dbraw/zinc/23/81/40/915238140.db2.gz JSMJBBRUOBEUTL-HXUWFJFHSA-N 2 0 396.535 3.904 20 30 GHEDRP COc1ccc(NC(=[NH2+])NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1OC ZINC000303896206 915301187 /nfs/dbraw/zinc/30/11/87/915301187.db2.gz PVAYZZBPVNELBC-QGZVFWFLSA-N 2 0 396.535 3.863 20 30 GHEDRP C[C@@H]1C[NH+](CCCNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)C[C@@H](C)O1 ZINC000304493444 915524939 /nfs/dbraw/zinc/52/49/39/915524939.db2.gz OQUXPORTSRSXDV-QZTJIDSGSA-N 2 0 382.508 3.705 20 30 GHEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000558016153 931803152 /nfs/dbraw/zinc/80/31/52/931803152.db2.gz ZOMXJZLLGMHSDZ-SFHVURJKSA-N 2 0 380.511 3.686 20 30 GHEDRP N#Cc1cnc(Cl)cc1NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001155357748 1032516286 /nfs/dbraw/zinc/51/62/86/1032516286.db2.gz JMFXHQLDKGAZOJ-LJQANCHMSA-N 2 0 395.938 3.520 20 30 GHEDRP C=CCOc1c(Br)cc(C[N@H+](C)C2CCC([NH3+])CC2)cc1OC ZINC000843056599 1029790824 /nfs/dbraw/zinc/79/08/24/1029790824.db2.gz RTJRPWBNCSDSGB-UHFFFAOYSA-N 2 0 383.330 3.724 20 30 GHEDRP COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001231620504 1034777566 /nfs/dbraw/zinc/77/75/66/1034777566.db2.gz CJZRPXCRLAHEOD-FGZHOGPDSA-N 2 0 375.516 3.911 20 30 GHEDRP C=CCN1C(=O)CCC[C@]12CCC[N@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208942405 1035111223 /nfs/dbraw/zinc/11/12/23/1035111223.db2.gz QCHSPKKUTJKEOD-LADGPHEKSA-N 2 0 381.564 3.542 20 30 GHEDRP C=CCCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001209441108 1035275096 /nfs/dbraw/zinc/27/50/96/1035275096.db2.gz HKIOMOWYXNTTCD-FGZHOGPDSA-N 2 0 375.601 3.920 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]CC1(C)C[NH2+]C1 ZINC001245996207 1037115872 /nfs/dbraw/zinc/11/58/72/1037115872.db2.gz UTLVGEXUSNNEHA-OAQYLSRUSA-N 2 0 386.621 3.501 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]CC1([NH3+])CCC1 ZINC001246021094 1037138592 /nfs/dbraw/zinc/13/85/92/1037138592.db2.gz RFUQJFOKKQGFQS-NRFANRHFSA-N 2 0 386.621 3.772 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001246032156 1037150269 /nfs/dbraw/zinc/15/02/69/1037150269.db2.gz KDVFBXJZEUOBEI-GPJHCHHRSA-N 2 0 398.632 3.723 20 30 GHEDRP N#C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC001254649150 1040418603 /nfs/dbraw/zinc/41/86/03/1040418603.db2.gz NTAXYBSDMAWVBT-QFBILLFUSA-N 2 0 376.342 3.943 20 30 GHEDRP C=CCN1C(=O)CCC12CC[NH+]([C@@H]1CCC[N@H+](Cc3ccccc3)CC1)CC2 ZINC001255400150 1040986265 /nfs/dbraw/zinc/98/62/65/1040986265.db2.gz GNRZIEKSFANFDI-JOCHJYFZSA-N 2 0 381.564 3.684 20 30 GHEDRP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255404430 1040991715 /nfs/dbraw/zinc/99/17/15/1040991715.db2.gz SNDHNGMAECYJBU-TZRRMPRUSA-N 2 0 384.564 3.867 20 30 GHEDRP CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255596622 1041155700 /nfs/dbraw/zinc/15/57/00/1041155700.db2.gz SKVLJQFIHYIBIG-NJDAHSKKSA-N 2 0 398.551 3.640 20 30 GHEDRP CCc1cc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccco4)CO3)CC2)ccc1C#N ZINC001238763201 1042718881 /nfs/dbraw/zinc/71/88/81/1042718881.db2.gz QAVURHOXZBGJSH-JOCHJYFZSA-N 2 0 393.531 3.969 20 30 GHEDRP C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC001348957534 1063442811 /nfs/dbraw/zinc/44/28/11/1063442811.db2.gz ISUNAYCTWSCIGN-NQIIRXRSSA-N 2 0 376.504 3.530 20 30 GHEDRP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535681512 844300983 /nfs/dbraw/zinc/30/09/83/844300983.db2.gz PSHUDRBFGNRXLP-NRFANRHFSA-N 2 0 381.564 3.564 20 30 GHEDRP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503442636 847709631 /nfs/dbraw/zinc/70/96/31/847709631.db2.gz SMLVRBGBENOQRZ-UNMCSNQZSA-N 2 0 395.547 3.567 20 30 GHEDRP C=C(C)COc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)ccc1OC ZINC000657594945 848289420 /nfs/dbraw/zinc/28/94/20/848289420.db2.gz LMGUVJSTUXAMAL-JOCHJYFZSA-N 2 0 396.531 3.507 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CC1 ZINC000171710829 856239088 /nfs/dbraw/zinc/23/90/88/856239088.db2.gz ZKCOPRWJVSIDMO-WOJBJXKFSA-N 2 0 398.595 3.614 20 30 GHEDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485443102 856554190 /nfs/dbraw/zinc/55/41/90/856554190.db2.gz ZISZQEZBGMGLMF-QHCPKHFHSA-N 2 0 390.531 3.685 20 30 GHEDRP C=CCOc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1OC ZINC000904476221 860468346 /nfs/dbraw/zinc/46/83/46/860468346.db2.gz SOXCGAOQDCXMAJ-CVDCTZTESA-N 2 0 380.488 3.606 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)CC1 ZINC000172264986 865542762 /nfs/dbraw/zinc/54/27/62/865542762.db2.gz RHRSADKDUSFJTF-IBGZPJMESA-N 2 0 384.568 3.600 20 30 GHEDRP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1)CC1CC1 ZINC000540049354 870260467 /nfs/dbraw/zinc/26/04/67/870260467.db2.gz KJQBHHNPJSYMCY-SFHVURJKSA-N 2 0 382.552 3.719 20 30 GHEDRP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1)CC(C)C ZINC000539096218 871306729 /nfs/dbraw/zinc/30/67/29/871306729.db2.gz BODQJOPYTDYHMX-KNQAVFIVSA-N 2 0 378.605 3.509 20 30 GHEDRP CCOC(=O)N1CCC[C@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169670975 871734817 /nfs/dbraw/zinc/73/48/17/871734817.db2.gz BFOAJTPUZRPJCK-FKBYEOEOSA-N 2 0 398.551 3.641 20 30 GHEDRP C=C(C[NH+]1CCCC1)C(=O)n1c2ccc(OCC)cc2c(=[NH2+])c2ccc(N)cc21 ZINC001183075655 912235390 /nfs/dbraw/zinc/23/53/90/912235390.db2.gz BGFOZYOXXHRZKO-UHFFFAOYSA-N 2 0 390.487 3.547 20 30 GHEDRP C[NH+](C)CCCOc1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000179852598 878099566 /nfs/dbraw/zinc/09/95/66/878099566.db2.gz CFDNBTYYVVLZEO-UHFFFAOYSA-N 2 0 392.547 3.965 20 30 GHEDRP C[C@@H](Cc1cccnc1)[NH2+]Cc1cc(C#N)cc(C[NH2+][C@@H](C)Cc2cccnc2)c1 ZINC000934226916 893487852 /nfs/dbraw/zinc/48/78/52/893487852.db2.gz LXDXOOQEXZAPTK-PMACEKPBSA-N 2 0 399.542 3.790 20 30 GHEDRP CC(C)(C)OC(=O)N1CC[NH+](C2CCC([NH2+]C3CCC(C#N)CC3)CC2)CC1 ZINC000877544565 893680108 /nfs/dbraw/zinc/68/01/08/893680108.db2.gz ZGOBOCRPFBRLLE-UHFFFAOYSA-N 2 0 390.572 3.522 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000459738559 894159901 /nfs/dbraw/zinc/15/99/01/894159901.db2.gz RXXNRIZWQWSENK-HNNXBMFYSA-N 2 0 397.357 3.844 20 30 GHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000132566341 897831619 /nfs/dbraw/zinc/83/16/19/897831619.db2.gz FMDJHGCPEVNQPL-NQIIRXRSSA-N 2 0 379.976 3.741 20 30 GHEDRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000571598309 899922952 /nfs/dbraw/zinc/92/29/52/899922952.db2.gz OXNUZUUCCOYNQE-QFIPXVFZSA-N 2 0 378.520 3.841 20 30 GHEDRP C[N@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](C1CCC(CC#N)CC1)CC2 ZINC001173336252 906380275 /nfs/dbraw/zinc/38/02/75/906380275.db2.gz TXLYEPLXBBFZFI-VTLFHKLASA-N 2 0 382.552 3.609 20 30 GHEDRP N#Cc1ccc([C@H](O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000248008080 911590051 /nfs/dbraw/zinc/59/00/51/911590051.db2.gz KZWHCXKZPMNNET-KMDXXIMOSA-N 2 0 375.516 3.578 20 30 GHEDRP CC[N@H+](C)Cc1cccc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000303873094 915231348 /nfs/dbraw/zinc/23/13/48/915231348.db2.gz GPBCBEGRHBLHOS-UHFFFAOYSA-N 2 0 380.414 3.964 20 30 GHEDRP Cc1cc(C)cc(NC(=[NH2+])NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000303908589 915307200 /nfs/dbraw/zinc/30/72/00/915307200.db2.gz XQIOJOVXNQOOFQ-KDURUIRLSA-N 2 0 380.536 3.839 20 30 GHEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000304757676 915672696 /nfs/dbraw/zinc/67/26/96/915672696.db2.gz PCBLAYLBNKNBAU-UHFFFAOYSA-N 2 0 388.487 3.612 20 30 GHEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])NCC2CCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000304764530 915700753 /nfs/dbraw/zinc/70/07/53/915700753.db2.gz YCEURCSWMFIORJ-AEFFLSMTSA-N 2 0 382.474 3.793 20 30 GHEDRP C[C@@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000926659286 932264918 /nfs/dbraw/zinc/26/49/18/932264918.db2.gz GSJBTUAIIDAGNJ-LJQANCHMSA-N 2 0 376.548 3.935 20 30 GHEDRP C=CCCCCC[C@H]([NH3+])C(=O)N(Cc1ccccc1F)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221002709 1032229610 /nfs/dbraw/zinc/22/96/10/1032229610.db2.gz VPTCJNSEHHXNKT-ZJOUEHCJSA-N 2 0 375.532 3.888 20 30 GHEDRP C[C@@H](CC(C)(C)S)Oc1c(C[NH+](C)C)cc(C[NH+](C)C)cc1C[NH+](C)C ZINC001227163711 1032302001 /nfs/dbraw/zinc/30/20/01/1032302001.db2.gz FXBIXVMFBGHCRG-INIZCTEOSA-N 3 0 381.630 3.737 20 30 GHEDRP C[C@H](CC(C)(C)S)Oc1c(C[NH+](C)C)cc(C[NH+](C)C)cc1C[NH+](C)C ZINC001227163712 1032302151 /nfs/dbraw/zinc/30/21/51/1032302151.db2.gz FXBIXVMFBGHCRG-MRXNPFEDSA-N 3 0 381.630 3.737 20 30 GHEDRP Cc1cc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)ccc1CC#N ZINC001162940679 1025977737 /nfs/dbraw/zinc/97/77/37/1025977737.db2.gz KFOUYRCTBAHVCF-QHCPKHFHSA-N 2 0 388.559 3.975 20 30 GHEDRP C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc(C#N)c1)CC2 ZINC001203757540 1027579922 /nfs/dbraw/zinc/57/99/22/1027579922.db2.gz LYZSKCXGMODWHX-FQEVSTJZSA-N 2 0 381.545 3.875 20 30 GHEDRP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(C(C)(C)C#N)cc1 ZINC001205741180 1033554848 /nfs/dbraw/zinc/55/48/48/1033554848.db2.gz UXCXYPXTCYVUGK-UHFFFAOYSA-N 2 0 390.575 3.737 20 30 GHEDRP N#Cc1c(Nc2ccc(OCC[NH+]3CCCCC3)cc2)sc2c1CC[NH2+]C2 ZINC001159159177 1034458426 /nfs/dbraw/zinc/45/84/26/1034458426.db2.gz ATQMEZBBACDYGD-UHFFFAOYSA-N 2 0 382.533 3.874 20 30 GHEDRP C=CCN1C(=O)CCC12CC[NH+](C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC001208933689 1035098101 /nfs/dbraw/zinc/09/81/01/1035098101.db2.gz FMGDJLDOCWTEPW-QFIPXVFZSA-N 2 0 381.564 3.542 20 30 GHEDRP C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC001208947533 1035117008 /nfs/dbraw/zinc/11/70/08/1035117008.db2.gz UCENMZLPVBLTIR-UPVQGACJSA-N 2 0 381.564 3.542 20 30 GHEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@H](C)CC(C)(C)SCc1ccco1 ZINC001246306603 1037287200 /nfs/dbraw/zinc/28/72/00/1037287200.db2.gz XCZLEROMHHXEFX-AEFFLSMTSA-N 2 0 382.570 3.886 20 30 GHEDRP COc1cccc(CC2(C[NH2+][C@@H](C)Cc3ccc(C#N)cc3)CC[NH2+]CC2)c1 ZINC001246383261 1037343515 /nfs/dbraw/zinc/34/35/15/1037343515.db2.gz DZPKGRXNXZPIFW-IBGZPJMESA-N 2 0 377.532 3.700 20 30 GHEDRP N#Cc1ccccc1OC1CC[NH+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CC1 ZINC001246852087 1037678006 /nfs/dbraw/zinc/67/80/06/1037678006.db2.gz PAXJASTXXRHDSU-FCHUYYIVSA-N 2 0 375.516 3.765 20 30 GHEDRP CCOC(=O)[C@@H]1CCC[C@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255351281 1040956271 /nfs/dbraw/zinc/95/62/71/1040956271.db2.gz WYPHSZHBCIIQIW-YSFYHYPLSA-N 2 0 383.536 3.752 20 30 GHEDRP C[NH+]=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)NCc1ccco1 ZINC000849075472 1057583176 /nfs/dbraw/zinc/58/31/76/1057583176.db2.gz GCFKOUVXGLRXRH-UHFFFAOYSA-N 2 0 382.552 3.680 20 30 GHEDRP N#Cc1ccc([C@@H](O)C[NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC001473597286 1067570154 /nfs/dbraw/zinc/57/01/54/1067570154.db2.gz PTERCFWRFCETRS-DEOSSOPVSA-N 2 0 389.543 3.970 20 30 GHEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001460406077 1068954977 /nfs/dbraw/zinc/95/49/77/1068954977.db2.gz BGDDICXARHNRRT-PZJWPPBQSA-N 2 0 387.593 3.898 20 30 GHEDRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3c(C)cc(C#N)cc3C)C2)ccn1 ZINC001473668322 1074076514 /nfs/dbraw/zinc/07/65/14/1074076514.db2.gz ZBZJKFVTNVXPGV-QFIPXVFZSA-N 2 0 378.520 3.675 20 30 GHEDRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000512647698 844876451 /nfs/dbraw/zinc/87/64/51/844876451.db2.gz JFOQDPAQLXTWEI-MBSDFSHPSA-N 2 0 380.511 3.727 20 30 GHEDRP C=CCc1cc(CN(Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc(OC)c1O ZINC000435437830 850524382 /nfs/dbraw/zinc/52/43/82/850524382.db2.gz LTCNQLDBSPFCDU-LJQANCHMSA-N 2 0 399.560 3.730 20 30 GHEDRP C=CCOc1ccc(CN(Cc2scnc2C)C[C@H]2CC[NH2+]C2)cc1OC ZINC000435439698 850527348 /nfs/dbraw/zinc/52/73/48/850527348.db2.gz WJLVDCOEGVKNDL-SFHVURJKSA-N 2 0 387.549 3.637 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1OCC ZINC000414837798 850908458 /nfs/dbraw/zinc/90/84/58/850908458.db2.gz VWVBAGFDMLSNSA-AWEZNQCLSA-N 2 0 383.330 3.502 20 30 GHEDRP CC(C)[NH2+]CCCC[C@H](N)c1nc(-c2ccc(Br)cc2C#N)no1 ZINC001212142167 851900135 /nfs/dbraw/zinc/90/01/35/851900135.db2.gz DPDMTJUKOPLVID-HNNXBMFYSA-N 2 0 392.301 3.539 20 30 GHEDRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)C[C@H](C)O1 ZINC000439461621 853692246 /nfs/dbraw/zinc/69/22/46/853692246.db2.gz LMJVPMVRYHVGDT-CALCHBBNSA-N 2 0 375.944 3.923 20 30 GHEDRP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000303604894 856110305 /nfs/dbraw/zinc/11/03/05/856110305.db2.gz XVBDHMMFNWZJKX-UHFFFAOYSA-N 2 0 390.959 3.984 20 30 GHEDRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ccc1C#N ZINC000521945005 858477400 /nfs/dbraw/zinc/47/74/00/858477400.db2.gz ZPXMNUAEEOYRFY-XPWALMASSA-N 2 0 375.516 3.957 20 30 GHEDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000593005924 858526377 /nfs/dbraw/zinc/52/63/77/858526377.db2.gz ALYLDULDLUSKHG-UHFFFAOYSA-N 2 0 378.476 3.810 20 30 GHEDRP Cc1cc(NC2CCC([NH+](C)C)CC2)c(C#N)c(NC2CCC([NH+](C)C)CC2)n1 ZINC000596277276 858834437 /nfs/dbraw/zinc/83/44/37/858834437.db2.gz INKKDRMONAFOMB-UHFFFAOYSA-N 2 0 398.599 3.831 20 30 GHEDRP C[NH+]=C(NCc1nc(C)c(C)s1)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000262381726 863370921 /nfs/dbraw/zinc/37/09/21/863370921.db2.gz KMUPPYINQIYOFY-YJBOKZPZSA-N 2 0 391.610 3.570 20 30 GHEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898518693 864078196 /nfs/dbraw/zinc/07/81/96/864078196.db2.gz JMBIPUZHKHZWGS-LGKPFJOYSA-N 2 0 381.564 3.976 20 30 GHEDRP CCN(C(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000594254835 865615857 /nfs/dbraw/zinc/61/58/57/865615857.db2.gz LCFOVGFEJCNZTH-IBGZPJMESA-N 2 0 396.579 3.664 20 30 GHEDRP CC[NH+]=C(NCc1cc(F)ccc1SC)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262745334 881935772 /nfs/dbraw/zinc/93/57/72/881935772.db2.gz ADUZHPZACXTKDW-AYHJJNSGSA-N 2 0 378.561 3.618 20 30 GHEDRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]Cc3ccc(C#N)s3)cc2)C[C@H]1C ZINC000539554027 869356665 /nfs/dbraw/zinc/35/66/65/869356665.db2.gz NWXPXMITTWQZCI-HDICACEKSA-N 2 0 383.561 3.919 20 30 GHEDRP CCCCCCCCC[N@@H+]1CCCn2nnc(COCC[NH+]3CCCC3)c2C1 ZINC001201846012 875900576 /nfs/dbraw/zinc/90/05/76/875900576.db2.gz CLWHARLYOVEWKZ-UHFFFAOYSA-N 2 0 391.604 3.847 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CC)[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000135419983 883371277 /nfs/dbraw/zinc/37/12/77/883371277.db2.gz KPTZGFQLVWVXPC-REWPJTCUSA-N 2 0 398.595 3.894 20 30 GHEDRP CCc1cc[n+](C(C(=O)c2ccccc2)C(=S)NCC(C)(C)C[NH+](C)C)cc1 ZINC000170715494 884529587 /nfs/dbraw/zinc/52/95/87/884529587.db2.gz NJQAURORKMGPKJ-UHFFFAOYSA-O 2 0 398.596 3.653 20 30 GHEDRP N#Cc1ccc([C@H](O)C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000819031896 896360591 /nfs/dbraw/zinc/36/05/91/896360591.db2.gz BMZQHFLUJVVJRE-JOCHJYFZSA-N 2 0 383.923 3.747 20 30 GHEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]CCC1(O)CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000883343308 897511132 /nfs/dbraw/zinc/51/11/32/897511132.db2.gz IIQMJLUSTWKFTB-HSZRJFAPSA-N 2 0 375.516 3.552 20 30 GHEDRP Cc1cc[n+](C(C(=O)c2cc(C)ccc2C)C(=S)NC2CC[NH+](C)CC2)cc1 ZINC000063441569 900950258 /nfs/dbraw/zinc/95/02/58/900950258.db2.gz PSURQWSDUCNTPE-UHFFFAOYSA-O 2 0 396.580 3.522 20 30 GHEDRP C#Cc1ccc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4cccs4)CO3)CC2)cc1 ZINC001144568767 902398731 /nfs/dbraw/zinc/39/87/31/902398731.db2.gz DQHJVASJCSAEJS-OAQYLSRUSA-N 2 0 380.557 3.985 20 30 GHEDRP CCC(CC)[NH+]1CCC(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172973671 906039623 /nfs/dbraw/zinc/03/96/23/906039623.db2.gz HXQSPXOYHQJKCH-ICSRJNTNSA-N 2 0 392.588 3.768 20 30 GHEDRP N#Cc1ccc(C(=O)N2CCC([NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)cc1 ZINC001173428589 906465154 /nfs/dbraw/zinc/46/51/54/906465154.db2.gz RSHKWJHZSQSTKT-UHFFFAOYSA-N 2 0 394.563 3.550 20 30 GHEDRP CC[NH+](CC)Cc1ccc(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)cc1 ZINC000303779589 915124024 /nfs/dbraw/zinc/12/40/24/915124024.db2.gz KRDUKYRNPPMWDE-UHFFFAOYSA-N 2 0 382.508 3.617 20 30 GHEDRP [NH2+]=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)NC1CCCCCC1 ZINC000305748054 916323752 /nfs/dbraw/zinc/32/37/52/916323752.db2.gz UIYWBJGMYWWBTF-UHFFFAOYSA-N 2 0 386.584 3.685 20 30 GHEDRP C[C@@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)c1cc(C#N)ccn1 ZINC000902833441 922540882 /nfs/dbraw/zinc/54/08/82/922540882.db2.gz ZUVJZZYPSJVVRB-LJQANCHMSA-N 2 0 378.520 3.675 20 30 GHEDRP N#CC1(CC[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)CCCCC1 ZINC000411391288 926355384 /nfs/dbraw/zinc/35/53/84/926355384.db2.gz BEJLBSJXZXKBFP-UHFFFAOYSA-N 2 0 388.600 3.555 20 30 GHEDRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000411540511 926503079 /nfs/dbraw/zinc/50/30/79/926503079.db2.gz NGDWDVMFVKBGTM-HROJSSOGSA-N 2 0 390.531 3.633 20 30 GHEDRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC000411544618 926504912 /nfs/dbraw/zinc/50/49/12/926504912.db2.gz VHISRCALXAWTOO-OALUTQOASA-N 2 0 390.531 3.633 20 30 GHEDRP C[C@@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001116704618 933713545 /nfs/dbraw/zinc/71/35/45/933713545.db2.gz OBQOGSJOKGGQEQ-ZGYBWILLSA-N 2 0 392.522 3.852 20 30 GHEDRP N#Cc1cc2[nH]ccc2c(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001162941267 1025978827 /nfs/dbraw/zinc/97/88/27/1025978827.db2.gz UBUKTKPDUKVVGE-OAQYLSRUSA-N 2 0 399.542 3.953 20 30 GHEDRP N#Cc1c2c(cnc1-n1cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc31)CCCC2 ZINC001159466115 1034608332 /nfs/dbraw/zinc/60/83/32/1034608332.db2.gz FSLNIQUYVIFJJZ-UHFFFAOYSA-N 2 0 399.542 3.742 20 30 GHEDRP N#Cc1c(Cl)c2cc(F)c(F)cc2nc1-n1cc(CC[NH3+])c2c[nH+]ccc21 ZINC001160951525 1035103579 /nfs/dbraw/zinc/10/35/79/1035103579.db2.gz FQJYNJUGTYXCBX-UHFFFAOYSA-N 2 0 383.789 3.878 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]C[C@H]1CC[NH2+]C1 ZINC001245995888 1037117071 /nfs/dbraw/zinc/11/70/71/1037117071.db2.gz ULRUYZNEGGVPIR-VXKWHMMOSA-N 2 0 386.621 3.501 20 30 GHEDRP COC(=O)c1ccc(C(=[NH2+])NC2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001246305257 1037287261 /nfs/dbraw/zinc/28/72/61/1037287261.db2.gz MAFYJDXSLNWBMH-IRXDYDNUSA-N 2 0 379.504 3.620 20 30 GHEDRP C/C(N[C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001258554340 1044633520 /nfs/dbraw/zinc/63/35/20/1044633520.db2.gz NGVJLIBDDXWITB-IBGZPJMESA-N 2 0 388.556 3.831 20 30 GHEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2cccnc2)C1 ZINC001258728111 1044733916 /nfs/dbraw/zinc/73/39/16/1044733916.db2.gz LIOZFGBPWQFZAN-FGCOXFRFSA-N 2 0 383.580 3.987 20 30 GHEDRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000728571272 834683257 /nfs/dbraw/zinc/68/32/57/834683257.db2.gz UIQQGUSLQFMVLG-FQEVSTJZSA-N 2 0 384.568 3.684 20 30 GHEDRP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000501784021 847182677 /nfs/dbraw/zinc/18/26/77/847182677.db2.gz BMCZOFAXHBJBIN-OAQYLSRUSA-N 2 0 398.595 3.992 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000414795701 850533453 /nfs/dbraw/zinc/53/34/53/850533453.db2.gz GYWMLASBKSZCNP-GDBMZVCRSA-N 2 0 383.330 3.630 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1OCC ZINC000414834811 850884005 /nfs/dbraw/zinc/88/40/05/850884005.db2.gz QWISRHXPDVDOGL-CQSZACIVSA-N 2 0 383.330 3.502 20 30 GHEDRP C=CCOC(=O)N1CCC[C@]2(CC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)C1 ZINC001167983877 852270336 /nfs/dbraw/zinc/27/03/36/852270336.db2.gz KGRNFSMORPHYIG-MXHMCPQYSA-N 2 0 387.568 3.502 20 30 GHEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc2ccc(C#N)cc2c1C ZINC000550386887 854441769 /nfs/dbraw/zinc/44/17/69/854441769.db2.gz OCFDEZBBFNHPKF-GOSISDBHSA-N 2 0 398.576 3.570 20 30 GHEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000591256137 855829039 /nfs/dbraw/zinc/82/90/39/855829039.db2.gz TZTMTMNTRUBOKY-QHCPKHFHSA-N 2 0 375.516 3.552 20 30 GHEDRP CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000262457526 864494738 /nfs/dbraw/zinc/49/47/38/864494738.db2.gz WYFRZZVWPRQXML-HBMCJLEFSA-N 2 0 390.616 3.542 20 30 GHEDRP COc1ccc(NC(=[NH2+])NCc2ccccc2C[NH+]2CCC(C)CC2)cc1OC ZINC000303790887 866338581 /nfs/dbraw/zinc/33/85/81/866338581.db2.gz WYRVQFAARJRVRQ-UHFFFAOYSA-N 2 0 396.535 3.863 20 30 GHEDRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000541085486 872891013 /nfs/dbraw/zinc/89/10/13/872891013.db2.gz JTJDAOPAMCBHKL-UHFFFAOYSA-N 2 0 376.589 3.505 20 30 GHEDRP N#CCCCOc1cccc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000105495461 884794427 /nfs/dbraw/zinc/79/44/27/884794427.db2.gz FUOOZPWWXCEDAY-UHFFFAOYSA-N 2 0 393.531 3.616 20 30 GHEDRP C[NH+](C)C[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000565261828 895484942 /nfs/dbraw/zinc/48/49/42/895484942.db2.gz DKRNRMSIXDCNCD-QHCPKHFHSA-N 2 0 380.511 3.554 20 30 GHEDRP C=CCc1cc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc(OC)c1OC ZINC000817908586 895958170 /nfs/dbraw/zinc/95/81/70/895958170.db2.gz GTVFZNKPUDWSEY-YKSBVNFPSA-N 2 0 394.515 3.778 20 30 GHEDRP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001171213094 902707987 /nfs/dbraw/zinc/70/79/87/902707987.db2.gz UIQDHZPRVUQCJI-DENIHFKCSA-N 2 0 393.531 3.838 20 30 GHEDRP C[NH+]1C(C)(C)CC([N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)CC1(C)C ZINC001171637427 904926487 /nfs/dbraw/zinc/92/64/87/904926487.db2.gz NAHUJOYBBFMLMN-DEOSSOPVSA-N 2 0 394.563 3.638 20 30 GHEDRP C=CCOC(=O)N1CCCC2(CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC001172113460 905364252 /nfs/dbraw/zinc/36/42/52/905364252.db2.gz IWYGFLLJBZKWNO-PMOLBWCYSA-N 2 0 375.557 3.502 20 30 GHEDRP COC[C@H]1CC2(C[N@@H+]1Cc1nccs1)CC[NH+]([C@@H](C)CCCC#N)CC2 ZINC001172497160 905600341 /nfs/dbraw/zinc/60/03/41/905600341.db2.gz YYTKWZGJVVTLCV-ZWKOTPCHSA-N 2 0 376.570 3.528 20 30 GHEDRP C=CC[C@H]([NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)c1ccncc1 ZINC001177885717 908784025 /nfs/dbraw/zinc/78/40/25/908784025.db2.gz SHUKSQCKURIPKC-KRWDZBQOSA-N 2 0 375.419 3.872 20 30 GHEDRP COc1ccc(NC(=[NH2+])NCC(C)(C)[N@@H+]2CCc3ccccc3C2)cc1Cl ZINC000303880527 915295254 /nfs/dbraw/zinc/29/52/54/915295254.db2.gz HGHZUQHVTOVWAR-UHFFFAOYSA-N 2 0 386.927 3.912 20 30 GHEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NCCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000303896639 915302280 /nfs/dbraw/zinc/30/22/80/915302280.db2.gz QBSXFSIIYGAJAO-QGZVFWFLSA-N 2 0 376.545 3.723 20 30 GHEDRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=[NH2+])N[C@@H]3CCOc4ccccc43)cc2)C1 ZINC000304475955 915516668 /nfs/dbraw/zinc/51/66/68/915516668.db2.gz HJOKTTBONKKWAJ-XMSQKQJNSA-N 2 0 392.547 3.847 20 30 GHEDRP C[NH+](C)CCCOc1ccc(CNC(=[NH2+])Nc2cccc3c2CCCC3)cc1 ZINC000304706248 915633921 /nfs/dbraw/zinc/63/39/21/915633921.db2.gz XAMGPFQITJPKBA-UHFFFAOYSA-N 2 0 380.536 3.823 20 30 GHEDRP Cc1cc(C#N)cc(C)c1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000903464575 923044059 /nfs/dbraw/zinc/04/40/59/923044059.db2.gz SBUQTVHGESTNDW-UHFFFAOYSA-N 2 0 377.536 3.745 20 30 GHEDRP C[NH+](C)Cc1cc(C[NH+](C)C)c(O[C@@H](C#N)c2ccccc2)c(C[NH+](C)C)c1 ZINC001227160705 1032300505 /nfs/dbraw/zinc/30/05/05/1032300505.db2.gz LBAIALHJUJOJIO-QFIPXVFZSA-N 3 0 380.536 3.515 20 30 GHEDRP N#Cc1cc(Cl)cc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001155359012 1032517388 /nfs/dbraw/zinc/51/73/88/1032517388.db2.gz WWHVOYWUSZTDLU-SFHVURJKSA-N 2 0 395.938 3.520 20 30 GHEDRP N#Cc1cc(Cl)cnc1NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001155363847 1032520134 /nfs/dbraw/zinc/52/01/34/1032520134.db2.gz NKELWEUHFOMVOJ-IBGZPJMESA-N 2 0 395.938 3.520 20 30 GHEDRP C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(OCCC[NH+](C)C)cc1)CC2 ZINC001204269412 1032712522 /nfs/dbraw/zinc/71/25/22/1032712522.db2.gz YUDSDYMOKSTBKR-XMMPIXPASA-N 2 0 399.579 3.550 20 30 GHEDRP N#Cc1c(N[C@@H](CC2CC[NH2+]CC2)c2ccccc2F)ncc2c1CCC[NH2+]C2 ZINC001162231477 1025682031 /nfs/dbraw/zinc/68/20/31/1025682031.db2.gz UIIYXIIKMGWTJV-QFIPXVFZSA-N 2 0 393.510 3.671 20 30 GHEDRP Cc1cc(CC#N)ccc1NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162941664 1025979001 /nfs/dbraw/zinc/97/90/01/1025979001.db2.gz YQXIMIXQMDUKSW-HSZRJFAPSA-N 2 0 388.559 3.975 20 30 GHEDRP [NH3+][C@H]1CCN(c2ccc(/C=[NH+]\CC/N=C\c3ccc(Br)cc3)cc2)C1 ZINC001164286182 1026477593 /nfs/dbraw/zinc/47/75/93/1026477593.db2.gz HYIHQDBEMDXLDC-QIKFDFCESA-N 2 0 399.336 3.525 20 30 GHEDRP N#Cc1cccc2c(C[NH+]3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c[nH]c21 ZINC001139705072 1026549389 /nfs/dbraw/zinc/54/93/89/1026549389.db2.gz LGGFJADBZULLFO-UHFFFAOYSA-N 2 0 385.515 3.923 20 30 GHEDRP CC1(C)C[NH2+]CCc2ccc(O[C@@H]3CC[N@H+](Cc4ccccc4C#N)C3)cc21 ZINC001218337247 1030901040 /nfs/dbraw/zinc/90/10/40/1030901040.db2.gz QHKLOZGMWHOWPG-JOCHJYFZSA-N 2 0 375.516 3.635 20 30 GHEDRP C=CCN1C(=O)CCC[C@]12CCC[N@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207289713 1034240604 /nfs/dbraw/zinc/24/06/04/1034240604.db2.gz WXSJTLMQEGDBNY-RUZDIDTESA-N 2 0 395.591 3.932 20 30 GHEDRP COc1cc(C#N)ccc1C[NH+]1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001231619324 1034775300 /nfs/dbraw/zinc/77/53/00/1034775300.db2.gz VMICBOLSWNPIDR-UHFFFAOYSA-N 2 0 390.531 3.838 20 30 GHEDRP CCCCCCCCCCCCCCOC[C@H](O)C[NH+]1CCN(CC[NH3+])CC1 ZINC001246037811 1037152826 /nfs/dbraw/zinc/15/28/26/1037152826.db2.gz WLFOHQLCZQROQH-HSZRJFAPSA-N 2 0 399.664 3.641 20 30 GHEDRP C=CCN1CC[C@@]2(C[N@H+]([C@H]3C[C@@H](CC)[NH2+][C@@H](CC)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246705178 1037558925 /nfs/dbraw/zinc/55/89/25/1037558925.db2.gz XLWAIFCRRKMATD-JAWPICGBSA-N 2 0 395.591 3.800 20 30 GHEDRP C=CCC[C@H](O)C[NH2+]CC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC001252618021 1039049794 /nfs/dbraw/zinc/04/97/94/1039049794.db2.gz CAPKKLHHMABCLO-IBGZPJMESA-N 2 0 381.358 3.578 20 30 GHEDRP CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)cc1 ZINC001235401084 1040914767 /nfs/dbraw/zinc/91/47/67/1040914767.db2.gz FMYFTKQNYQHIOP-GOTSBHOMSA-N 2 0 378.495 3.850 20 30 GHEDRP C=CCN1CC[C@@]2(C[N@H+](C3CC[NH+](CC(C)C)CC3)C[C@@H]2c2ccccc2)C1=O ZINC001258011606 1044337341 /nfs/dbraw/zinc/33/73/41/1044337341.db2.gz HQJBDVQYDAYUJY-NOZRDPDXSA-N 2 0 395.591 3.611 20 30 GHEDRP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C[C@H]2C1 ZINC001335133622 1052041126 /nfs/dbraw/zinc/04/11/26/1052041126.db2.gz KFUKRFOBYYQTGR-TUNNFDKTSA-N 2 0 377.536 3.626 20 30 GHEDRP N#Cc1cccc(NC(=O)CC[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC001325840283 1057372014 /nfs/dbraw/zinc/37/20/14/1057372014.db2.gz LNVFYVPHTLQWQU-UHFFFAOYSA-N 2 0 376.504 3.663 20 30 GHEDRP N#CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001342063149 1061034591 /nfs/dbraw/zinc/03/45/91/1061034591.db2.gz LOUUFPZEYNUQGJ-YFNKSVMNSA-N 2 0 375.516 3.979 20 30 GHEDRP CC[NH+](CC)CC1CC[NH+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)CC1 ZINC000728571451 834759507 /nfs/dbraw/zinc/75/95/07/834759507.db2.gz XXHSKFTWUWDZHY-UHFFFAOYSA-N 2 0 384.568 3.604 20 30 GHEDRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H](C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)C2)CC[NH+]1C ZINC000329359995 834901819 /nfs/dbraw/zinc/90/18/19/834901819.db2.gz XSHWSTHABJFUMY-IGOIZDSHSA-N 2 0 392.588 3.671 20 30 GHEDRP C=CC[C@@]1(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)CCC[NH2+]1 ZINC000662796438 841641039 /nfs/dbraw/zinc/64/10/39/841641039.db2.gz KYIZUNZXASRCPH-FQEVSTJZSA-N 2 0 396.362 3.772 20 30 GHEDRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1cccc(C#N)c1 ZINC000025702284 861485343 /nfs/dbraw/zinc/48/53/43/861485343.db2.gz VTSFNONIPKKXOU-SFHVURJKSA-N 2 0 376.504 3.661 20 30 GHEDRP C#CCCOc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](CC)CC3)c(F)c2)cc1 ZINC000237006156 845514626 /nfs/dbraw/zinc/51/46/26/845514626.db2.gz DKSFOGQNIGASTN-UHFFFAOYSA-N 2 0 395.522 3.660 20 30 GHEDRP C=CCOc1ccc(CN(Cc2scnc2C)C[C@@H]2CC[NH2+]C2)cc1OC ZINC000435439697 850527234 /nfs/dbraw/zinc/52/72/34/850527234.db2.gz WJLVDCOEGVKNDL-GOSISDBHSA-N 2 0 387.549 3.637 20 30 GHEDRP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cn4ccccc4c3C#N)CC2)C[C@H](C)O1 ZINC000426768906 852372040 /nfs/dbraw/zinc/37/20/40/852372040.db2.gz DHBZELDDJDNMCI-KDURUIRLSA-N 2 0 380.536 3.522 20 30 GHEDRP C[C@H]1[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCN1Cc1ccccc1 ZINC000489862176 852613839 /nfs/dbraw/zinc/61/38/39/852613839.db2.gz WWHQVFJOYIBFQK-CPJSRVTESA-N 2 0 388.559 3.775 20 30 GHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000765941991 856651902 /nfs/dbraw/zinc/65/19/02/856651902.db2.gz ICTMACOTCOANPW-PKOBYXMFSA-N 2 0 377.960 3.637 20 30 GHEDRP CCc1nc2ccccc2n1C1CC[NH+](CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000329094939 861012493 /nfs/dbraw/zinc/01/24/93/861012493.db2.gz BPMMJWCCLGKLRW-UHFFFAOYSA-N 2 0 397.567 3.676 20 30 GHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(C#N)c(OC)c2)CC1 ZINC000440819762 868758340 /nfs/dbraw/zinc/75/83/40/868758340.db2.gz DGLRESPXZPWZPW-KRWDZBQOSA-N 2 0 396.510 3.699 20 30 GHEDRP CC[N@H+](CCC1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1)CC(C)C ZINC000540195813 870733551 /nfs/dbraw/zinc/73/35/51/870733551.db2.gz HPFQRLIWMHIXDC-HSZRJFAPSA-N 2 0 396.579 3.744 20 30 GHEDRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181513281 871126114 /nfs/dbraw/zinc/12/61/14/871126114.db2.gz SIUBPQVQDVHOKE-SFTDATJTSA-N 2 0 382.596 3.870 20 30 GHEDRP C=CC[C@@H]1[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCC1(C)C ZINC001169843482 871934074 /nfs/dbraw/zinc/93/40/74/871934074.db2.gz DYEABGLNLYCHHI-QFIPXVFZSA-N 2 0 383.580 3.965 20 30 GHEDRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000538393568 879412991 /nfs/dbraw/zinc/41/29/91/879412991.db2.gz OUYOKWJCOBIBKX-NLFFAJNJSA-N 2 0 388.559 3.948 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000116434739 886361708 /nfs/dbraw/zinc/36/17/08/886361708.db2.gz FIJKLSJAMBEEMG-LJQANCHMSA-N 2 0 384.568 3.552 20 30 GHEDRP CC[N@H+](CCC1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1)CC1CC1 ZINC000536738482 893702833 /nfs/dbraw/zinc/70/28/33/893702833.db2.gz WCTNLTOIQIHVBS-UHFFFAOYSA-N 2 0 388.581 3.782 20 30 GHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000133174979 903352711 /nfs/dbraw/zinc/35/27/11/903352711.db2.gz YYDMPPFRJIZZGN-QZTJIDSGSA-N 2 0 378.944 3.969 20 30 GHEDRP COc1ccc(NC(=[NH2+])NC[C@H](c2ccccc2OC)N2CCCCC2)cc1 ZINC000104166479 904546367 /nfs/dbraw/zinc/54/63/67/904546367.db2.gz KFUADPUSYJRCFS-HXUWFJFHSA-N 2 0 382.508 3.658 20 30 GHEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H](C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001171968918 905214684 /nfs/dbraw/zinc/21/46/84/905214684.db2.gz XPOJSFNRJHIASM-IBGZPJMESA-N 2 0 395.513 3.928 20 30 GHEDRP CCCCCCC[C@@H](CC)[NH+]1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001172356163 905527040 /nfs/dbraw/zinc/52/70/40/905527040.db2.gz UTXRCOLRBGYRDH-OAQYLSRUSA-N 2 0 395.632 3.628 20 30 GHEDRP CCC(CC)[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172973895 906038287 /nfs/dbraw/zinc/03/82/87/906038287.db2.gz JAOYSQPIFPQVIX-HKUYNNGSSA-N 2 0 378.561 3.521 20 30 GHEDRP CCOC(=O)C[C@H]1CC[C@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173633940 906585776 /nfs/dbraw/zinc/58/57/76/906585776.db2.gz SNWILGZSFPMAPC-MQGJPIDWSA-N 2 0 383.536 3.752 20 30 GHEDRP CCc1cccc(NC(=[NH2+])NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000303882530 915294983 /nfs/dbraw/zinc/29/49/83/915294983.db2.gz IDWDEOPJNXXKSW-QZTJIDSGSA-N 2 0 380.536 3.785 20 30 GHEDRP COc1ccc(C[NH+]2CCC(CNC(=[NH2+])Nc3ccc(C)c(C)c3)CC2)cc1 ZINC000303881097 915295122 /nfs/dbraw/zinc/29/51/22/915295122.db2.gz KQCYKRJDPYVQIT-UHFFFAOYSA-N 2 0 380.536 3.951 20 30 GHEDRP Cc1ccc([C@@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)[NH+]2CCCC2)cc1 ZINC000304495843 915525319 /nfs/dbraw/zinc/52/53/19/915525319.db2.gz NMZPROSBTXFRCC-LEWJYISDSA-N 2 0 378.520 3.560 20 30 GHEDRP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374319027 927015447 /nfs/dbraw/zinc/01/54/47/927015447.db2.gz UYYRNKITHTXBEJ-NBGIEHNGSA-N 2 0 388.559 3.683 20 30 GHEDRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000562068843 934670702 /nfs/dbraw/zinc/67/07/02/934670702.db2.gz OOPGIUIDGAVHLA-UHFFFAOYSA-N 2 0 377.410 3.807 20 30 GHEDRP C[NH+](C)CCCOc1ccc(C[NH+]2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC001204269826 1032712377 /nfs/dbraw/zinc/71/23/77/1032712377.db2.gz KXBQCMGMMQKRQL-UHFFFAOYSA-N 2 0 393.531 3.932 20 30 GHEDRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=[NH2+])Nc3ccc4c(c3)CCC4)cc2)C[C@H](C)O1 ZINC000303908934 1021147843 /nfs/dbraw/zinc/14/78/43/1021147843.db2.gz XYSQDMCWUPRDME-HDICACEKSA-N 2 0 392.547 3.711 20 30 GHEDRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)cc1 ZINC001138772783 1025342845 /nfs/dbraw/zinc/34/28/45/1025342845.db2.gz BSDGSEUAGNIXSB-HSZRJFAPSA-N 2 0 379.504 3.542 20 30 GHEDRP Cc1cc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1OCC[NH+](C)C ZINC000839184978 1025696583 /nfs/dbraw/zinc/69/65/83/1025696583.db2.gz QHGYFTQMZUSJHE-UHFFFAOYSA-N 2 0 392.547 3.884 20 30 GHEDRP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccc(C#N)c(F)c1)CC2 ZINC001139528745 1026386202 /nfs/dbraw/zinc/38/62/02/1026386202.db2.gz XNLSRLFRONMCGY-UHFFFAOYSA-N 2 0 378.495 3.969 20 30 GHEDRP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cc(C#N)ccc1F)CC2 ZINC001139648048 1026508985 /nfs/dbraw/zinc/50/89/85/1026508985.db2.gz VZOFXSJQJJOHEQ-QFIPXVFZSA-N 2 0 393.506 3.953 20 30 GHEDRP C=CC[N@H+]1CCc2c(Cl)c(O[C@@H]3CC[NH2+]C3)c(O)cc2[C@@H](c2ccccc2)C1 ZINC001218038846 1030736917 /nfs/dbraw/zinc/73/69/17/1030736917.db2.gz ZVZPYQSGKQKQMF-YLJYHZDGSA-N 2 0 398.934 3.962 20 30 GHEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)NC1CCC(C)([NH+]2CCCC2)CC1)C(C)C ZINC001220600923 1032005577 /nfs/dbraw/zinc/00/55/77/1032005577.db2.gz YEQYPPQEJNIAIB-WQMHRJNTSA-N 2 0 390.616 3.781 20 30 GHEDRP C=CCN1C(=O)CC[C@@]12CCC[N@H+](CC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001207291652 1034243857 /nfs/dbraw/zinc/24/38/57/1034243857.db2.gz VJYQNDOCAGBFRH-RUZDIDTESA-N 2 0 395.591 3.932 20 30 GHEDRP N#Cc1c(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ncc2c1CCC[NH2+]C2 ZINC001159288822 1034524520 /nfs/dbraw/zinc/52/45/20/1034524520.db2.gz XBZATQZCJQUOFV-MZADTFQBSA-N 2 0 387.531 3.597 20 30 GHEDRP COc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001231620505 1034778531 /nfs/dbraw/zinc/77/85/31/1034778531.db2.gz CJZRPXCRLAHEOD-VXKWHMMOSA-N 2 0 375.516 3.911 20 30 GHEDRP C=CCOC(=O)[C@@H](N)CCCCNc1ccc([C@@H]2CCCC[N@H+]2CCC)cn1 ZINC001159924460 1034788248 /nfs/dbraw/zinc/78/82/48/1034788248.db2.gz RCMAYFFUCLCDRK-PMACEKPBSA-N 2 0 388.556 3.657 20 30 GHEDRP CCCCCCCCCCCC[C@H](O)C[NH2+]Cc1nnn2c1C[NH2+]CCC2 ZINC001245986315 1037109847 /nfs/dbraw/zinc/10/98/47/1037109847.db2.gz OHMMYDHXKGBCDL-IBGZPJMESA-N 2 0 379.593 3.533 20 30 GHEDRP C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H]1CC[NH2+][C@H](Cc3ccccc3)C1)[C@H]2CC ZINC001246703036 1037556625 /nfs/dbraw/zinc/55/66/25/1037556625.db2.gz HPLXBNSQGGEXKK-FVEXOFTDSA-N 2 0 395.591 3.771 20 30 GHEDRP COc1ccc(C[N@H+](Cc2ccc(C#N)cc2OC)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236545234 1041757276 /nfs/dbraw/zinc/75/72/76/1041757276.db2.gz LOYYUNCOZSNMKQ-MEMLXQNLSA-N 2 0 379.504 3.848 20 30 GHEDRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH+]=C(Nc2ccccc2)N2CCCCC2)C1 ZINC000849079218 1057583463 /nfs/dbraw/zinc/58/34/63/1057583463.db2.gz ZJAPGRBUMDVIGU-QHCPKHFHSA-N 2 0 392.547 3.707 20 30 GHEDRP [NH2+]=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)Nc1ccccc1OC(F)(F)F ZINC000195291349 840446459 /nfs/dbraw/zinc/44/64/59/840446459.db2.gz XAIVFOSKPQGVTO-MRXNPFEDSA-N 2 0 392.425 3.834 20 30 GHEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423541339 849974067 /nfs/dbraw/zinc/97/40/67/849974067.db2.gz ARKSCPYKJWOMGG-DEOSSOPVSA-N 2 0 388.559 3.909 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)CC1 ZINC000519280925 850858224 /nfs/dbraw/zinc/85/82/24/850858224.db2.gz KCKGPXJRNFCVSU-UHFFFAOYSA-N 2 0 398.595 3.758 20 30 GHEDRP CC[NH+](CC)Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000044566374 853661318 /nfs/dbraw/zinc/66/13/18/853661318.db2.gz VUNQZNIUZVYGDB-UHFFFAOYSA-N 2 0 392.547 3.604 20 30 GHEDRP COc1cc(C#N)ccc1OCC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000184754093 855768481 /nfs/dbraw/zinc/76/84/81/855768481.db2.gz OVGOMPPXMVATJZ-OALUTQOASA-N 2 0 393.531 3.692 20 30 GHEDRP C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc(C#N)c(N[C@H]3CCC[C@H]([NH+](C)C)C3)n2)C1 ZINC000302889326 855959518 /nfs/dbraw/zinc/95/95/18/855959518.db2.gz OVUYNTUXMRKQQE-HAGHYFMRSA-N 2 0 384.572 3.523 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CC[NH+](CC)CC)Cc2ccccc2)CC1 ZINC000520695823 856038583 /nfs/dbraw/zinc/03/85/83/856038583.db2.gz GCDJKSOJQDCXNJ-UHFFFAOYSA-N 2 0 386.584 3.581 20 30 GHEDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 ZINC000485387480 856427671 /nfs/dbraw/zinc/42/76/71/856427671.db2.gz RWBKAJSMNJEVFW-HSZRJFAPSA-N 2 0 390.531 3.685 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000592296394 856768365 /nfs/dbraw/zinc/76/83/65/856768365.db2.gz ARFKZBQRSQKSKC-UHFFFAOYSA-N 2 0 398.595 3.902 20 30 GHEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000595066806 858369915 /nfs/dbraw/zinc/36/99/15/858369915.db2.gz FGLUBOWJUYRWKP-ISKFKSNPSA-N 2 0 375.516 3.682 20 30 GHEDRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)CC3(C#N)CCOCC3)CC2)c1 ZINC000602510800 860083602 /nfs/dbraw/zinc/08/36/02/860083602.db2.gz OJRXQOXVQPLVCW-JOCHJYFZSA-N 2 0 398.595 3.586 20 30 GHEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)[C@H]1c1cccs1 ZINC000262359431 863177802 /nfs/dbraw/zinc/17/78/02/863177802.db2.gz GNNDWAHUJLGPBZ-MDYRTPRTSA-N 2 0 384.549 3.559 20 30 GHEDRP C[NH+]=C(NCc1nc(C)c(C)s1)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000262381722 863371142 /nfs/dbraw/zinc/37/11/42/863371142.db2.gz KMUPPYINQIYOFY-MAUKXSAKSA-N 2 0 391.610 3.570 20 30 GHEDRP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1)CC1CC1 ZINC000540050710 870306132 /nfs/dbraw/zinc/30/61/32/870306132.db2.gz ZNSNYWJLCAGMOY-LJQANCHMSA-N 2 0 388.600 3.552 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000106256398 885010295 /nfs/dbraw/zinc/01/02/95/885010295.db2.gz HJEYUKDYFNNAFO-UHFFFAOYSA-N 2 0 384.568 3.512 20 30 GHEDRP C[NH+](C)CCOc1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000537537726 885098637 /nfs/dbraw/zinc/09/86/37/885098637.db2.gz YXDZWRPQMXVMOD-UHFFFAOYSA-N 2 0 378.520 3.575 20 30 GHEDRP COc1ccc([C@@H](C)[NH2+]CC#CC[NH2+][C@H](C)c2ccc(OC)c(F)c2)cc1F ZINC000556502034 885182764 /nfs/dbraw/zinc/18/27/64/885182764.db2.gz QLKDWHGFXHQCOL-HZPDHXFCSA-N 2 0 388.458 3.987 20 30 GHEDRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]C[C@H](O)c3ccc(C#N)cc3)cc2)C1 ZINC000763230220 888364688 /nfs/dbraw/zinc/36/46/88/888364688.db2.gz GMZJLBBSEZYWGC-IECBHUPTSA-N 2 0 377.532 3.859 20 30 GHEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)[C@H](C)C1 ZINC000536867399 893966373 /nfs/dbraw/zinc/96/63/73/893966373.db2.gz DFWGISXQQMUUJL-RQJJNDFQSA-N 2 0 399.579 3.975 20 30 GHEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000817918363 895961192 /nfs/dbraw/zinc/96/11/92/895961192.db2.gz LGDQKXIDSHTWIG-RZFNWQHOSA-N 2 0 377.488 3.713 20 30 GHEDRP Cn1cc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000886588172 901180445 /nfs/dbraw/zinc/18/04/45/901180445.db2.gz MFFNIHNDIDAHJR-UHFFFAOYSA-N 2 0 377.536 3.845 20 30 GHEDRP C[NH+]=C(NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)NC[C@@]1(C)CCCS1 ZINC000159236863 902753700 /nfs/dbraw/zinc/75/37/00/902753700.db2.gz WASCNDJWBMEWIJ-VDZJLULYSA-N 2 0 380.627 3.582 20 30 GHEDRP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2 ZINC001172114042 905362455 /nfs/dbraw/zinc/36/24/55/905362455.db2.gz OFXAZCKQRMOHSZ-ACDBMABISA-N 2 0 375.557 3.502 20 30 GHEDRP COC(=O)[C@H]1CCC[C@@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172781192 905821747 /nfs/dbraw/zinc/82/17/47/905821747.db2.gz MESLLVGBBMJCDW-KJJMTIBFSA-N 2 0 383.536 3.752 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000176501729 905855720 /nfs/dbraw/zinc/85/57/20/905855720.db2.gz QYFDFEXJOHPCSU-QFIPXVFZSA-N 2 0 398.595 3.581 20 30 GHEDRP C[NH+]1CCC(N2CCC([NH2+]C3CCC(C#N)(c4ccccc4)CC3)CC2)CC1 ZINC000271097189 910780588 /nfs/dbraw/zinc/78/05/88/910780588.db2.gz ZYFDDRDPRZDBSM-UHFFFAOYSA-N 2 0 380.580 3.539 20 30 GHEDRP N#CC1(c2ccccc2)CCC([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000271481417 910922124 /nfs/dbraw/zinc/92/21/24/910922124.db2.gz JCYOQKITMJCORW-ITLZVLABSA-N 2 0 381.564 3.748 20 30 GHEDRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000304499661 915526205 /nfs/dbraw/zinc/52/62/05/915526205.db2.gz RDEDUKDGAFPVFS-GCJKJVERSA-N 2 0 392.547 3.847 20 30 GHEDRP [NH2+]=C(NCC1([NH+]2CCCC2)CCOCC1)Nc1cccc(Oc2ccccc2)c1 ZINC000304757317 915672762 /nfs/dbraw/zinc/67/27/62/915672762.db2.gz ORELIFSRRMOQKO-UHFFFAOYSA-N 2 0 394.519 3.851 20 30 GHEDRP COc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1C#N ZINC000781422967 930838438 /nfs/dbraw/zinc/83/84/38/930838438.db2.gz OEGGGXQWMRGIAC-ACIOBRDBSA-N 2 0 375.516 3.957 20 30 GHEDRP N#Cc1cc(Cl)cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)n1 ZINC001155359011 1032517218 /nfs/dbraw/zinc/51/72/18/1032517218.db2.gz WWHVOYWUSZTDLU-GOSISDBHSA-N 2 0 395.938 3.520 20 30 GHEDRP C#CCOc1ccc(C[NH+]2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)cc1 ZINC001138559725 1025022314 /nfs/dbraw/zinc/02/23/14/1025022314.db2.gz QSVZGXJEIHNEAE-UHFFFAOYSA-N 2 0 389.543 3.970 20 30 GHEDRP C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@H]2CC ZINC001138770525 1025338362 /nfs/dbraw/zinc/33/83/62/1025338362.db2.gz IVKIHQRWELXQQY-UPVQGACJSA-N 2 0 399.579 3.549 20 30 GHEDRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)cc1 ZINC001138773382 1025345128 /nfs/dbraw/zinc/34/51/28/1025345128.db2.gz BVGJOPWWWVJCRA-QHCPKHFHSA-N 2 0 379.504 3.542 20 30 GHEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(N(c2cccc(C[NH3+])c2)S(C)(=O)=O)cc1 ZINC001166503860 1027018505 /nfs/dbraw/zinc/01/85/05/1027018505.db2.gz WWQXXKDSAHOGEA-NRFANRHFSA-N 2 0 385.533 3.566 20 30 GHEDRP CC1(C)C[NH2+]CCc2ccc(O[C@H]3CC[N@H+](Cc4ccccc4C#N)C3)cc21 ZINC001218337248 1030901353 /nfs/dbraw/zinc/90/13/53/1030901353.db2.gz QHKLOZGMWHOWPG-QFIPXVFZSA-N 2 0 375.516 3.635 20 30 GHEDRP C=CC[N@@H+]1CCc2c(Cl)c(O[C@@H]3C[NH2+][C@H]3C)c(O)cc2[C@H](c2ccccc2)C1 ZINC001218393745 1030918048 /nfs/dbraw/zinc/91/80/48/1030918048.db2.gz VWSBYBKDTLFIQN-PAXLWEDBSA-N 2 0 398.934 3.961 20 30 GHEDRP Cc1ccc2nc(N(C3CC[NH2+]CC3)C3CC[NH+](C)CC3)c(C#N)c(Cl)c2c1 ZINC001158590418 1034182040 /nfs/dbraw/zinc/18/20/40/1034182040.db2.gz FPAYNNHWPOLOBQ-UHFFFAOYSA-N 2 0 397.954 3.721 20 30 GHEDRP C=CCCCCC[C@H]([NH3+])C(=O)N(Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001161279584 1035200022 /nfs/dbraw/zinc/20/00/22/1035200022.db2.gz JFJKKWNPXIFZJQ-NRFANRHFSA-N 2 0 375.532 3.679 20 30 GHEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001161575667 1035261846 /nfs/dbraw/zinc/26/18/46/1035261846.db2.gz MIIVPQSBWVFESI-ZLNRFVROSA-N 2 0 383.580 3.821 20 30 GHEDRP C=CCCCCC[C@H]([NH3+])C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001161575665 1035262447 /nfs/dbraw/zinc/26/24/47/1035262447.db2.gz MIIVPQSBWVFESI-VABKMULXSA-N 2 0 383.580 3.821 20 30 GHEDRP CCc1cc(C#N)ccc1C[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001248749666 1036106566 /nfs/dbraw/zinc/10/65/66/1036106566.db2.gz HLKKYOYJXHTWEJ-JOCHJYFZSA-N 2 0 393.531 3.969 20 30 GHEDRP COc1ccc(CC2(C[NH2+][C@H](C)Cc3cccc(C#N)c3)CC[NH2+]CC2)cc1 ZINC001246396458 1037356744 /nfs/dbraw/zinc/35/67/44/1037356744.db2.gz YTOGEGLRLWYXFE-LJQANCHMSA-N 2 0 377.532 3.700 20 30 GHEDRP C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H]3CC[NH2+][C@H](C(C)(C)C)C3)CC2)C1 ZINC001246527431 1037460011 /nfs/dbraw/zinc/46/00/11/1037460011.db2.gz UMWPWKWDUPRPNN-MOPGFXCFSA-N 2 0 377.573 3.654 20 30 GHEDRP N#Cc1ccccc1OC1CC[NH+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CC1 ZINC001246852088 1037676246 /nfs/dbraw/zinc/67/62/46/1037676246.db2.gz PAXJASTXXRHDSU-FGZHOGPDSA-N 2 0 375.516 3.765 20 30 GHEDRP CCOC(=O)[C@@H]1CCC[C@@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255348160 1040954635 /nfs/dbraw/zinc/95/46/35/1040954635.db2.gz BNMVDNYLQLTZRU-GXRSIYKFSA-N 2 0 383.536 3.752 20 30 GHEDRP C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc(-n4ccnc4)c(Cl)c3)C2)C1=O ZINC001236902795 1041947915 /nfs/dbraw/zinc/94/79/15/1041947915.db2.gz JFDISHWLYITJSM-NRFANRHFSA-N 2 0 384.911 3.526 20 30 GHEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)[C@@H]1c1cccs1 ZINC000262359438 835237215 /nfs/dbraw/zinc/23/72/15/835237215.db2.gz GNNDWAHUJLGPBZ-WRWLIDTKSA-N 2 0 384.549 3.559 20 30 GHEDRP C[C@H]1C[N@H+](CCC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CCCO1 ZINC000432359161 842167111 /nfs/dbraw/zinc/16/71/11/842167111.db2.gz PCGCSGINJHNAGV-FQEVSTJZSA-N 2 0 393.531 3.728 20 30 GHEDRP CN1CCC([NH+]2CCC(CC[N@H+](C)CC#Cc3ccc(Cl)cc3)CC2)CC1 ZINC000430928985 843201592 /nfs/dbraw/zinc/20/15/92/843201592.db2.gz VVSMCTCELAXIHN-UHFFFAOYSA-N 3 0 387.999 3.820 20 30 GHEDRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000512647700 844876103 /nfs/dbraw/zinc/87/61/03/844876103.db2.gz JFOQDPAQLXTWEI-WZONZLPQSA-N 2 0 380.511 3.727 20 30 GHEDRP C#CCOc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)cc1 ZINC000236982089 845379823 /nfs/dbraw/zinc/37/98/23/845379823.db2.gz TVWOONYWARIOEA-LJQANCHMSA-N 2 0 395.522 3.830 20 30 GHEDRP C#Cc1ccc(NC(=O)CC[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC001167659557 849332086 /nfs/dbraw/zinc/33/20/86/849332086.db2.gz STINONCJERFMTL-HXUWFJFHSA-N 2 0 381.564 3.973 20 30 GHEDRP CC(C)[NH+]1CCC(Nc2ccc(C#N)c(NC3CC[NH+](C(C)C)CC3)n2)CC1 ZINC000278189069 849566854 /nfs/dbraw/zinc/56/68/54/849566854.db2.gz DLIPXJFHFBSZTH-UHFFFAOYSA-N 2 0 384.572 3.523 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1OCC ZINC000414865628 850045428 /nfs/dbraw/zinc/04/54/28/850045428.db2.gz ZHTSHHZMHUQHBS-HOCLYGCPSA-N 2 0 397.357 3.890 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1OCC ZINC000414837800 850908327 /nfs/dbraw/zinc/90/83/27/850908327.db2.gz VWVBAGFDMLSNSA-CQSZACIVSA-N 2 0 383.330 3.502 20 30 GHEDRP N#CC1(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001167971570 851547819 /nfs/dbraw/zinc/54/78/19/851547819.db2.gz YZBAJZIQVRQGPW-NOTZXAQLSA-N 2 0 378.564 3.540 20 30 GHEDRP C=CCOC(=O)N1CCC[C@@]2(CC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH+]4CC3CC3)C2)C1 ZINC001167983875 852269785 /nfs/dbraw/zinc/26/97/85/852269785.db2.gz KGRNFSMORPHYIG-FANLQWHUSA-N 2 0 387.568 3.502 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)N(CC)[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000473961366 854440500 /nfs/dbraw/zinc/44/05/00/854440500.db2.gz WNIPSMUJBSWJKU-KNQAVFIVSA-N 2 0 384.568 3.504 20 30 GHEDRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000330244986 862689628 /nfs/dbraw/zinc/68/96/28/862689628.db2.gz KMHWRRUFYLPHBL-CTNGQTDRSA-N 2 0 393.535 3.991 20 30 GHEDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000057844082 856234529 /nfs/dbraw/zinc/23/45/29/856234529.db2.gz RBRJYBKBYDGQBE-UHFFFAOYSA-N 2 0 390.531 3.731 20 30 GHEDRP N#CCCCOc1cccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000594968777 858333520 /nfs/dbraw/zinc/33/35/20/858333520.db2.gz KURZPJOYACZMOL-UHFFFAOYSA-N 2 0 378.520 3.766 20 30 GHEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000611392095 859735148 /nfs/dbraw/zinc/73/51/48/859735148.db2.gz KWADPEOTIAVADK-XMMPIXPASA-N 2 0 375.516 3.682 20 30 GHEDRP C#CCOc1ccccc1C[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000073803774 860883893 /nfs/dbraw/zinc/88/38/93/860883893.db2.gz LYQYSZHZOKSQGC-WOJBJXKFSA-N 2 0 378.516 3.598 20 30 GHEDRP Cc1cc(C)cc(NC(=[NH2+])NCCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000305774816 866641699 /nfs/dbraw/zinc/64/16/99/866641699.db2.gz MUCQRRCPDJTLFS-UHFFFAOYSA-N 2 0 380.536 3.747 20 30 GHEDRP [NH2+]=C(NCc1ccccc1C[NH+]1CCCCC1)N[C@H]1CCOc2ccccc21 ZINC000262548308 866645961 /nfs/dbraw/zinc/64/59/61/866645961.db2.gz SOOPPONXJWQQHD-NRFANRHFSA-N 2 0 378.520 3.601 20 30 GHEDRP C[NH+]=C(NC[C@H]1CCOc2ccccc21)NC1CC[NH+](C2CCCCC2)CC1 ZINC000262780951 882225032 /nfs/dbraw/zinc/22/50/32/882225032.db2.gz KXCVDUCPYXLCEK-GOSISDBHSA-N 2 0 384.568 3.515 20 30 GHEDRP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000121647401 869674537 /nfs/dbraw/zinc/67/45/37/869674537.db2.gz WWFRZURQEOEORI-FQEVSTJZSA-N 2 0 384.568 3.602 20 30 GHEDRP N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(C[NH+]4CCCC4)cc3)CC2)cc1 ZINC000181419547 870987115 /nfs/dbraw/zinc/98/71/15/870987115.db2.gz UMGRYNHXZQOTAK-UHFFFAOYSA-N 2 0 388.559 3.908 20 30 GHEDRP N#Cc1ccc(CN2CCC([NH2+]Cc3cccc(C[NH+]4CCCC4)c3)CC2)cc1 ZINC000181437038 871012944 /nfs/dbraw/zinc/01/29/44/871012944.db2.gz PYJWWVWWLNNOEW-UHFFFAOYSA-N 2 0 388.559 3.908 20 30 GHEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC001196055726 872831157 /nfs/dbraw/zinc/83/11/57/872831157.db2.gz GGRHBPPRVOEYNV-NFBKMPQASA-N 2 0 383.580 3.800 20 30 GHEDRP C[N@H+](CCCC[NH+]1CCCCC1)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC001197286344 873712916 /nfs/dbraw/zinc/71/29/16/873712916.db2.gz WJRLMNNOIIIQCJ-UHFFFAOYSA-N 2 0 388.581 3.635 20 30 GHEDRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)C(=O)Nc1cccc(C#N)c1 ZINC000550906953 882846296 /nfs/dbraw/zinc/84/62/96/882846296.db2.gz CQFQRCNVQZZYPC-IBGZPJMESA-N 2 0 390.531 3.907 20 30 GHEDRP CC1(C)C[N@H+](C[C@@H](O)CC2(C#N)CC2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000528560105 874705861 /nfs/dbraw/zinc/70/58/61/874705861.db2.gz HOEOWJINQUYORO-VXKWHMMOSA-N 2 0 381.564 3.664 20 30 GHEDRP CCCCCCCC[NH+]1CCC(N2CCC([NH+]3CCN(C)CC3)CC2)CC1 ZINC001201840368 875899835 /nfs/dbraw/zinc/89/98/35/875899835.db2.gz VLKONZOHKLPTAB-UHFFFAOYSA-N 3 0 378.649 3.523 20 30 GHEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)[C@@H](C)C1 ZINC000536867377 893966398 /nfs/dbraw/zinc/96/63/98/893966398.db2.gz DFWGISXQQMUUJL-MALGCSLJSA-N 2 0 399.579 3.975 20 30 GHEDRP CC[NH+](CC)Cc1cncc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC001171278229 903554160 /nfs/dbraw/zinc/55/41/60/903554160.db2.gz ZUMMQHILJOQCST-UHFFFAOYSA-N 2 0 377.536 3.894 20 30 GHEDRP C[NH+]1C(C)(C)CC([NH+]2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)CC1(C)C ZINC001171641651 904930160 /nfs/dbraw/zinc/93/01/60/904930160.db2.gz SCNJNTDZDIXOHN-UHFFFAOYSA-N 2 0 397.567 3.796 20 30 GHEDRP C=CCOC(=O)N1CCC2(CCC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)CC1 ZINC001172113814 905361741 /nfs/dbraw/zinc/36/17/41/905361741.db2.gz MRGPYEJJHHRQMV-PMOLBWCYSA-N 2 0 375.557 3.502 20 30 GHEDRP CCCCCCC[C@H](CC)[NH+]1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001172356160 905527265 /nfs/dbraw/zinc/52/72/65/905527265.db2.gz UTXRCOLRBGYRDH-NRFANRHFSA-N 2 0 395.632 3.628 20 30 GHEDRP CN(CCC#N)c1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000245814199 909938625 /nfs/dbraw/zinc/93/86/25/909938625.db2.gz ZXWCXPYFLFWAJZ-HSZRJFAPSA-N 2 0 376.548 3.990 20 30 GHEDRP COc1ccc(NC(=[NH2+])NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1OC ZINC000303905350 915306914 /nfs/dbraw/zinc/30/69/14/915306914.db2.gz ZIGNDFCOBCHCGM-IBGZPJMESA-N 2 0 382.508 3.576 20 30 GHEDRP Cc1cc(C)cc(NC(=[NH2+])NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000303908593 915307481 /nfs/dbraw/zinc/30/74/81/915307481.db2.gz XQIOJOVXNQOOFQ-RTBURBONSA-N 2 0 380.536 3.839 20 30 GHEDRP CC1CC[NH+]([C@@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)c2cccs2)CC1 ZINC000304511889 915526612 /nfs/dbraw/zinc/52/66/12/915526612.db2.gz XEICDNDWUVRRSY-OALUTQOASA-N 2 0 398.576 3.949 20 30 GHEDRP COc1ccc(NC(=[NH2+])NCC2([NH+]3CCSCC3)CCCCC2)cc1Cl ZINC000304754214 915671078 /nfs/dbraw/zinc/67/10/78/915671078.db2.gz LTGVYGQHUBLSKM-UHFFFAOYSA-N 2 0 396.988 3.827 20 30 GHEDRP N#Cc1ccc(CN2CCC([NH2+][C@H](c3ccccc3)[C@H]3CCOC3)CC2)cc1 ZINC000362043288 917050048 /nfs/dbraw/zinc/05/00/48/917050048.db2.gz WNYICQLYAAUPTG-LADGPHEKSA-N 2 0 375.516 3.890 20 30 GHEDRP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000926116098 932054693 /nfs/dbraw/zinc/05/46/93/932054693.db2.gz XGJYOELLXYJPCG-GOSISDBHSA-N 2 0 392.588 3.627 20 30 GHEDRP N#Cc1c(N)sc(CN2CCC3(C[NH+](Cc4ccccc4)C3)CC2)c1Cl ZINC001141112872 1023529193 /nfs/dbraw/zinc/52/91/93/1023529193.db2.gz PQHLTWPXPIYBGC-UHFFFAOYSA-N 2 0 386.952 3.953 20 30 GHEDRP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cc(C#N)ccc1F)CC2 ZINC001139648047 1026509680 /nfs/dbraw/zinc/50/96/80/1026509680.db2.gz VZOFXSJQJJOHEQ-JOCHJYFZSA-N 2 0 393.506 3.953 20 30 GHEDRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]Cc3csc(C#N)c3)cc2)C[C@H]1C ZINC001461399695 1069533815 /nfs/dbraw/zinc/53/38/15/1069533815.db2.gz IHUHQRCLTNAEJW-HDICACEKSA-N 2 0 383.561 3.919 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+]C2CCC([NH3+])CC2)cc1OCC ZINC000843107966 1029812853 /nfs/dbraw/zinc/81/28/53/1029812853.db2.gz VLCDCGXIKAMBTP-UHFFFAOYSA-N 2 0 383.330 3.772 20 30 GHEDRP N#Cc1ccc(CN2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)s1 ZINC001222590066 1030214450 /nfs/dbraw/zinc/21/44/50/1030214450.db2.gz DGDKXAUJVVBVMD-LJQANCHMSA-N 2 0 381.545 3.923 20 30 GHEDRP N#Cc1ccc(CC[NH2+]CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001206644478 1033932819 /nfs/dbraw/zinc/93/28/19/1033932819.db2.gz HOXOIXRCVDNBFS-UHFFFAOYSA-N 2 0 392.503 3.553 20 30 GHEDRP C=CCOC[C@]12CCCO[C@H]1CC[N@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208945934 1035117530 /nfs/dbraw/zinc/11/75/30/1035117530.db2.gz OEROBBIHDGGOPY-TZRRMPRUSA-N 2 0 384.564 3.582 20 30 GHEDRP C=CCCCC[NH+]1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001209201170 1035206872 /nfs/dbraw/zinc/20/68/72/1035206872.db2.gz WCDMDFSAJYRWJE-NRFANRHFSA-N 2 0 397.607 3.932 20 30 GHEDRP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H]3CC[NH2+][C@@H](C(C)(C)C)C3)C2)CC1 ZINC001246523301 1037454267 /nfs/dbraw/zinc/45/42/67/1037454267.db2.gz AIMSSGXBOJWSCB-RTBURBONSA-N 2 0 377.573 3.654 20 30 GHEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc3nc(Cl)ccc3c2)CC1 ZINC001233445541 1039328394 /nfs/dbraw/zinc/32/83/94/1039328394.db2.gz KFIZADWVPKMKPJ-UHFFFAOYSA-N 2 0 384.955 3.680 20 30 GHEDRP C=CCCCCCC[C@@H](O)C[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001253237284 1039493087 /nfs/dbraw/zinc/49/30/87/1039493087.db2.gz JIJZEWINUIARBG-JOCHJYFZSA-N 2 0 388.600 3.615 20 30 GHEDRP N#Cc1cccc(C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001254584950 1040358089 /nfs/dbraw/zinc/35/80/89/1040358089.db2.gz BJSTXHKBGZBWMC-FUDKSRODSA-N 2 0 390.487 3.706 20 30 GHEDRP C=C[C@@H](CO)[NH2+][C@H]1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255068887 1040762029 /nfs/dbraw/zinc/76/20/29/1040762029.db2.gz DTELYTXMVIVISR-CXSMSNRLSA-N 2 0 376.544 3.888 20 30 GHEDRP C=C[C@@H](CO)[NH2+][C@@H]1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001255068888 1040763702 /nfs/dbraw/zinc/76/37/02/1040763702.db2.gz DTELYTXMVIVISR-ZYQDXHPFSA-N 2 0 376.544 3.888 20 30 GHEDRP CCOCC[N@H+](Cc1ccc(N(C)c2ccc(C#N)cc2)cc1)C1CC[NH2+]CC1 ZINC001236460077 1041722240 /nfs/dbraw/zinc/72/22/40/1041722240.db2.gz MRVRYGZSJOHDKB-UHFFFAOYSA-N 2 0 392.547 3.917 20 30 GHEDRP C[NH+]1CCC(N(Cc2ccc(C#Cc3ccccc3)s2)C2CC[NH2+]CC2)CC1 ZINC001237036735 1041998299 /nfs/dbraw/zinc/99/82/99/1041998299.db2.gz BKCSSPOTEUDVKT-UHFFFAOYSA-N 2 0 393.600 3.796 20 30 GHEDRP N#Cc1cc(-c2nccc3c2CC[N@H+](Cc2ccccc2)C3)cc(C2C[NH2+]C2)c1 ZINC001240338390 1042922387 /nfs/dbraw/zinc/92/23/87/1042922387.db2.gz UCKYCJZROWYNDL-UHFFFAOYSA-N 2 0 380.495 3.865 20 30 GHEDRP CC[C@@H]1C[C@@H](N/C(C)=[NH+]/Cc2cccc(C[NH3+])c2)CCN1C(=O)OC(C)(C)C ZINC001257124086 1043871610 /nfs/dbraw/zinc/87/16/10/1043871610.db2.gz YKXYRXUZQJKVDU-VQTJNVASSA-N 2 0 388.556 3.831 20 30 GHEDRP COCC[N@@H+]1CCC[C@@H]1C[NH+]=C(NCc1ccc(C)cc1)Nc1ccccc1 ZINC000849074993 1057582067 /nfs/dbraw/zinc/58/20/67/1057582067.db2.gz XGRUNKUNJASODZ-JOCHJYFZSA-N 2 0 380.536 3.664 20 30 GHEDRP C[NH+](C)CCOc1ccccc1N1CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC001459714739 1064183052 /nfs/dbraw/zinc/18/30/52/1064183052.db2.gz IBVZCOHPWLULBU-UHFFFAOYSA-N 2 0 384.568 3.613 20 30 GHEDRP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180165010 836475694 /nfs/dbraw/zinc/47/56/94/836475694.db2.gz XYBAOWXHIVAINL-QFIPXVFZSA-N 2 0 399.542 3.613 20 30 GHEDRP N#Cc1ccc(CN2CCC([NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)cc1 ZINC000181849950 842925343 /nfs/dbraw/zinc/92/53/43/842925343.db2.gz BAOHCCPIDMNVRI-UHFFFAOYSA-N 2 0 380.580 3.909 20 30 GHEDRP [NH2+]=C(NCCCC[NH3+])Nc1ccc(C#Cc2ccc(Br)cc2)cc1 ZINC001167879498 843171394 /nfs/dbraw/zinc/17/13/94/843171394.db2.gz VMVXILPHQOFANT-UHFFFAOYSA-N 2 0 385.309 3.524 20 30 GHEDRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481636132 861901744 /nfs/dbraw/zinc/90/17/44/861901744.db2.gz ACPKCZIKLYLQMZ-JOCHJYFZSA-N 2 0 396.579 3.542 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000414991829 853479327 /nfs/dbraw/zinc/47/93/27/853479327.db2.gz JXPVGJHBZAHFSR-DZGCQCFKSA-N 2 0 383.330 3.630 20 30 GHEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000591256133 855829024 /nfs/dbraw/zinc/82/90/24/855829024.db2.gz TZTMTMNTRUBOKY-HSZRJFAPSA-N 2 0 375.516 3.552 20 30 GHEDRP CCN(CC)c1ccc(/C=[NH+]\C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(O)c1 ZINC000760976915 856888858 /nfs/dbraw/zinc/88/88/58/856888858.db2.gz AICLBJYVBTVTND-TXUMJUCDSA-N 2 0 395.547 3.948 20 30 GHEDRP C[NH+]=C(NCc1cc(F)ccc1F)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000262427096 864111816 /nfs/dbraw/zinc/11/18/16/864111816.db2.gz RTSZGCIYRSLNHV-IFXJQAMLSA-N 2 0 392.519 3.774 20 30 GHEDRP CC[NH+](CC)CCOc1ccc(CNC(=[NH2+])NC2CCCCCC2)cc1OC ZINC000305744226 866635742 /nfs/dbraw/zinc/63/57/42/866635742.db2.gz LFIHVZKOPSSHMC-UHFFFAOYSA-N 2 0 390.572 3.543 20 30 GHEDRP CC[N@H+](CCC1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)CC1)CC1CC1 ZINC000540047017 870253849 /nfs/dbraw/zinc/25/38/49/870253849.db2.gz LGDGZPMIDRLQRD-UHFFFAOYSA-N 2 0 388.600 3.505 20 30 GHEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000617584305 870466312 /nfs/dbraw/zinc/46/63/12/870466312.db2.gz SXVXAVHEFTUCSI-UPVQGACJSA-N 2 0 375.516 3.816 20 30 GHEDRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000463298115 871362291 /nfs/dbraw/zinc/36/22/91/871362291.db2.gz UXHZICLDCZQPTI-QAPCUYQASA-N 2 0 380.458 3.629 20 30 GHEDRP CC[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000447533287 871795309 /nfs/dbraw/zinc/79/53/09/871795309.db2.gz ZQJAEZYSFLIAQB-ZEQRLZLVSA-N 2 0 376.548 3.978 20 30 GHEDRP CC[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1)c1ccc(C#N)cc1 ZINC000447546431 871820150 /nfs/dbraw/zinc/82/01/50/871820150.db2.gz VVHXWESSWXWQEF-XMMPIXPASA-N 2 0 376.548 3.937 20 30 GHEDRP C[C@H]1CCCC[N@@H+]1CCC1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000478047340 872417187 /nfs/dbraw/zinc/41/71/87/872417187.db2.gz PYPXKTYRSJHJCW-WMZHIEFXSA-N 2 0 394.563 3.640 20 30 GHEDRP C=CCC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccco1 ZINC000286178808 912608243 /nfs/dbraw/zinc/60/82/43/912608243.db2.gz QRZUHIQVFSNPBW-LEWJYISDSA-N 2 0 381.520 3.774 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1OCC ZINC000666855381 893655849 /nfs/dbraw/zinc/65/58/49/893655849.db2.gz PDWSQPSIJBEJSQ-HNNXBMFYSA-N 2 0 383.330 3.644 20 30 GHEDRP CC[N@H+](CCC1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1)CC1CC1 ZINC000536737774 893704330 /nfs/dbraw/zinc/70/43/30/893704330.db2.gz UPEOULKHUJCXDG-UHFFFAOYSA-N 2 0 382.552 3.721 20 30 GHEDRP Cc1cc[n+](C(C(=O)c2ccc(C)c(C)c2)C(=S)NC2CC[NH+](C)CC2)cc1 ZINC000063441365 900950284 /nfs/dbraw/zinc/95/02/84/900950284.db2.gz GISWWBHCKXSTJO-UHFFFAOYSA-O 2 0 396.580 3.522 20 30 GHEDRP [NH2+]=C(Nc1ccc([C@@]23CC[NH2+][C@H]2COCC3)cc1)c1ccc2cc(O)ccc2c1 ZINC001171185324 902209810 /nfs/dbraw/zinc/20/98/10/902209810.db2.gz UYKPBQTZRKEQBY-UPVQGACJSA-N 2 0 387.483 3.602 20 30 GHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000133174558 903353205 /nfs/dbraw/zinc/35/32/05/903353205.db2.gz YYDMPPFRJIZZGN-MSOLQXFVSA-N 2 0 378.944 3.969 20 30 GHEDRP C[NH+]1CCC(c2ccc(Nc3ccc(N4CC[NH+](C)CC4)c(C#N)c3)cc2)CC1 ZINC001212690422 905919859 /nfs/dbraw/zinc/91/98/59/905919859.db2.gz JMXCOMCTRUWLTN-UHFFFAOYSA-N 2 0 389.547 3.863 20 30 GHEDRP C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183198456 907349540 /nfs/dbraw/zinc/34/95/40/907349540.db2.gz XYBBKPSPBFESEH-KNQAVFIVSA-N 2 0 380.580 3.765 20 30 GHEDRP CC(C)c1cccc(NC(=[NH2+])NCc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000267417829 909490471 /nfs/dbraw/zinc/49/04/71/909490471.db2.gz JPKRZENADSNIQZ-UHFFFAOYSA-N 2 0 380.536 3.694 20 30 GHEDRP [NH2+]=C(NCCc1cccs1)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000304760119 915699053 /nfs/dbraw/zinc/69/90/53/915699053.db2.gz RXQBDXGIBVWQLH-UHFFFAOYSA-N 2 0 390.984 3.761 20 30 GHEDRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC000411544617 926505429 /nfs/dbraw/zinc/50/54/29/926505429.db2.gz VHISRCALXAWTOO-HROJSSOGSA-N 2 0 390.531 3.633 20 30 GHEDRP C[C@@H](C#N)Oc1ccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000374282168 926974976 /nfs/dbraw/zinc/97/49/76/926974976.db2.gz CROAHASNGHFHSZ-FQEVSTJZSA-N 2 0 398.595 3.606 20 30 GHEDRP C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374319028 927016227 /nfs/dbraw/zinc/01/62/27/927016227.db2.gz UYYRNKITHTXBEJ-NLFFAJNJSA-N 2 0 388.559 3.683 20 30 GHEDRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)cc1 ZINC001204270331 1032713881 /nfs/dbraw/zinc/71/38/81/1032713881.db2.gz SRCNNBBSXOGNOS-HSZRJFAPSA-N 2 0 393.531 3.932 20 30 GHEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000195290856 1020970151 /nfs/dbraw/zinc/97/01/51/1020970151.db2.gz FZFTXROQSFPKPF-LJQANCHMSA-N 2 0 396.535 3.733 20 30 GHEDRP [NH2+]=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)Nc1ccccc1OC(F)(F)F ZINC000195291358 1020970247 /nfs/dbraw/zinc/97/02/47/1020970247.db2.gz XAIVFOSKPQGVTO-INIZCTEOSA-N 2 0 392.425 3.834 20 30 GHEDRP C[N@@H+]1CC[C@H](CNC(=[NH2+])NCCc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000305679203 1021166007 /nfs/dbraw/zinc/16/60/07/1021166007.db2.gz MJMBHPZCCVSFCZ-YLJYHZDGSA-N 2 0 388.918 3.619 20 30 GHEDRP N#CC1(c2cccnc2N[C@H]2CCC[C@H]([NH3+])C2)CC[NH+](Cc2ccccc2)CC1 ZINC001162390039 1025734046 /nfs/dbraw/zinc/73/40/46/1025734046.db2.gz BOXWCEIKZPHEIW-SFTDATJTSA-N 2 0 389.547 3.821 20 30 GHEDRP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(F)c(C#N)c1)CC2 ZINC001205467076 1033425704 /nfs/dbraw/zinc/42/57/04/1033425704.db2.gz HXUSTNATZCLGAD-IBGZPJMESA-N 2 0 383.467 3.546 20 30 GHEDRP N#Cc1ccc(N2CC[NH+](CC3CC[NH+](Cc4ccccc4)CC3)CC2)c(F)c1 ZINC001207292857 1034246174 /nfs/dbraw/zinc/24/61/74/1034246174.db2.gz CFJLDEYXBWCTLX-UHFFFAOYSA-N 2 0 392.522 3.732 20 30 GHEDRP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)CC1 ZINC001208177764 1034777565 /nfs/dbraw/zinc/77/75/65/1034777565.db2.gz ZGZDNAJRHYBYFV-WXFUMESZSA-N 2 0 381.564 3.907 20 30 GHEDRP COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2C1 ZINC001231620506 1034778175 /nfs/dbraw/zinc/77/81/75/1034778175.db2.gz CJZRPXCRLAHEOD-YADHBBJMSA-N 2 0 375.516 3.911 20 30 GHEDRP CCCCCCCCCCCC[C@H](O)C[NH2+]C[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001245978711 1037104240 /nfs/dbraw/zinc/10/42/40/1037104240.db2.gz PGACPTRBZKOWLJ-XPWALMASSA-N 2 0 398.632 3.643 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+][C@@H]1CC[C@H]([NH3+])C1 ZINC001245998999 1037119450 /nfs/dbraw/zinc/11/94/50/1037119450.db2.gz CYGDFACNOFAUBS-BHDDXSALSA-N 2 0 386.621 3.771 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@@H](O)C[N@H+](C)CCCC[NH3+] ZINC001246050374 1037162643 /nfs/dbraw/zinc/16/26/43/1037162643.db2.gz GAYBFGAEMJAEFC-QFIPXVFZSA-N 2 0 388.637 3.972 20 30 GHEDRP O=C(CC[NH2+][C@H]1CC[NH2+]C2(CCC2)C1)N1Cc2ccccc2C#Cc2ccccc21 ZINC001246332260 1037299160 /nfs/dbraw/zinc/29/91/60/1037299160.db2.gz GTJDPEZNWWJGJA-QHCPKHFHSA-N 2 0 399.538 3.587 20 30 GHEDRP C=CCOC(=O)N1CCCC2(CC[NH+]([C@H]3CC[NH2+][C@@H](CCCC)C3)CC2)C1 ZINC001246527776 1037461322 /nfs/dbraw/zinc/46/13/22/1037461322.db2.gz WMVBCRLOKRBPCK-PMACEKPBSA-N 2 0 377.573 3.798 20 30 GHEDRP C/C(N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001255234638 1040920586 /nfs/dbraw/zinc/92/05/86/1040920586.db2.gz HXAJIZDMPPUECK-ACDBMABISA-N 2 0 386.540 3.584 20 30 GHEDRP CC(C)(C)OC(=O)N1CC[C@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255596500 1041155864 /nfs/dbraw/zinc/15/58/64/1041155864.db2.gz SKVLJQFIHYIBIG-ACRUOGEOSA-N 2 0 398.551 3.640 20 30 GHEDRP CCCCCCC[C@H](C)[NH+]1CCC(N2CCC([NH+]3CCN(C)CC3)CC2)CC1 ZINC001258049733 1044371988 /nfs/dbraw/zinc/37/19/88/1044371988.db2.gz NUVHMAQVTXRAEY-QFIPXVFZSA-N 2 0 392.676 3.912 20 30 GHEDRP C=CCC[C@@H](C)[NH+]1CCC2(C[C@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001258728499 1044734092 /nfs/dbraw/zinc/73/40/92/1044734092.db2.gz NXZDMFIKPZCOSP-RTWAWAEBSA-N 2 0 397.607 3.930 20 30 GHEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)[C@H]1c1cccs1 ZINC000262359436 835237265 /nfs/dbraw/zinc/23/72/65/835237265.db2.gz GNNDWAHUJLGPBZ-SYNHAJSKSA-N 2 0 384.549 3.559 20 30 GHEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000376729482 838647013 /nfs/dbraw/zinc/64/70/13/838647013.db2.gz QGFLVYDWTYWUQK-SFHVURJKSA-N 2 0 379.504 3.740 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](c2ccc(CC)cc2)[NH+](CC)CC)CC1 ZINC000431977483 840308996 /nfs/dbraw/zinc/30/89/96/840308996.db2.gz NAMQHTPTSDKXJJ-JOCHJYFZSA-N 2 0 386.584 3.582 20 30 GHEDRP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000512264080 843255843 /nfs/dbraw/zinc/25/58/43/843255843.db2.gz VORJSLXNTATRKD-FQEVSTJZSA-N 2 0 384.568 3.766 20 30 GHEDRP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[C@H](C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)CC[NH+]1C ZINC000329441863 861437000 /nfs/dbraw/zinc/43/70/00/861437000.db2.gz LCXZPZZUBOKHLD-BZIXAJQCSA-N 2 0 392.588 3.671 20 30 GHEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000512667424 844965869 /nfs/dbraw/zinc/96/58/69/844965869.db2.gz PHTPLFVGEKJRJN-GOSISDBHSA-N 2 0 380.511 3.686 20 30 GHEDRP CC[NH+](CC)CC1CC[NH+](CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000051908554 845541778 /nfs/dbraw/zinc/54/17/78/845541778.db2.gz OBMLNCKLQYNPOZ-UHFFFAOYSA-N 2 0 384.568 3.604 20 30 GHEDRP C=CCCc1ccccc1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000505028853 850543204 /nfs/dbraw/zinc/54/32/04/850543204.db2.gz JFTIGNAOHUNYRU-UHFFFAOYSA-N 2 0 393.535 3.534 20 30 GHEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCc4cc(C#N)ccc43)cc2)CC1 ZINC000611390666 859735004 /nfs/dbraw/zinc/73/50/04/859735004.db2.gz NMAFUFBHVASYFO-RUZDIDTESA-N 2 0 388.559 3.863 20 30 GHEDRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611392301 859735172 /nfs/dbraw/zinc/73/51/72/859735172.db2.gz QHIQRAJUCHGZJS-DEOSSOPVSA-N 2 0 393.531 3.682 20 30 GHEDRP Cn1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000192935187 860268567 /nfs/dbraw/zinc/26/85/67/860268567.db2.gz OFHMOEXWXVKVBV-OAQYLSRUSA-N 2 0 385.515 3.570 20 30 GHEDRP N#CCCN(C(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000121794252 882284185 /nfs/dbraw/zinc/28/41/85/882284185.db2.gz ILBVVRFBSDBHAS-UHFFFAOYSA-N 2 0 382.552 3.521 20 30 GHEDRP COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001169179981 871303138 /nfs/dbraw/zinc/30/31/38/871303138.db2.gz VOTVBZRYNXYTDU-AFUMVMLFSA-N 2 0 375.476 3.542 20 30 GHEDRP C[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)N(C)Cc1ccccc1 ZINC000181734189 871421155 /nfs/dbraw/zinc/42/11/55/871421155.db2.gz VVOKWELYFJUTNL-HXUWFJFHSA-N 2 0 376.548 3.633 20 30 GHEDRP C=CCN(CC=C)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000615319897 877634455 /nfs/dbraw/zinc/63/44/55/877634455.db2.gz OJIABIIOONOAFL-NJYVYQBISA-N 2 0 383.580 3.843 20 30 GHEDRP N#CCCn1cc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)c(-c2ccncc2)n1 ZINC000788519699 878124992 /nfs/dbraw/zinc/12/49/92/878124992.db2.gz DPJSVLQCYFHOJI-UHFFFAOYSA-N 2 0 392.551 3.745 20 30 GHEDRP C#CCOc1ccc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000113318354 880503277 /nfs/dbraw/zinc/50/32/77/880503277.db2.gz ADPGVEZCSZLHQZ-PMACEKPBSA-N 2 0 378.516 3.598 20 30 GHEDRP N#Cc1cc2c(cccc2-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)[nH]1 ZINC001170527804 885564208 /nfs/dbraw/zinc/56/42/08/885564208.db2.gz DAIODCMAHWJMGR-UHFFFAOYSA-N 2 0 383.499 3.949 20 30 GHEDRP C[NH+]=C(NCc1nc(C(C)(C)C)cs1)NC1CC[NH+](C2CCCC2)CC1 ZINC000086484145 886410681 /nfs/dbraw/zinc/41/06/81/886410681.db2.gz VGQGLEYJOKJCQU-UHFFFAOYSA-N 2 0 377.602 3.513 20 30 GHEDRP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3cc(C#N)cs3)cc2)C[C@@H]1C ZINC000537021904 894225623 /nfs/dbraw/zinc/22/56/23/894225623.db2.gz RDXPZJIEPNNOJY-ROUUACIJSA-N 2 0 383.561 3.919 20 30 GHEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC001136420078 897767270 /nfs/dbraw/zinc/76/72/70/897767270.db2.gz ARYQWPPFMROVIM-GOSISDBHSA-N 2 0 385.474 3.712 20 30 GHEDRP C=CCOCc1nn([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c2c1C[NH2+]C2 ZINC001171979804 905227899 /nfs/dbraw/zinc/22/78/99/905227899.db2.gz GFXKXUIYYXTQHO-IBGZPJMESA-N 2 0 380.536 3.805 20 30 GHEDRP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173434821 906469904 /nfs/dbraw/zinc/46/99/04/906469904.db2.gz QZHQMXIXAIYMEC-XZOQPEGZSA-N 2 0 394.563 3.502 20 30 GHEDRP CN(CCC#N)c1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000093336930 912204232 /nfs/dbraw/zinc/20/42/32/912204232.db2.gz ZXWCXPYFLFWAJZ-QHCPKHFHSA-N 2 0 376.548 3.990 20 30 GHEDRP COc1ccc(OC)c(NC(=[NH2+])NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000303887998 915298091 /nfs/dbraw/zinc/29/80/91/915298091.db2.gz LBXWOMJMQMCCRC-QGZVFWFLSA-N 2 0 396.535 3.863 20 30 GHEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000411799808 926789539 /nfs/dbraw/zinc/78/95/39/926789539.db2.gz BITWVZOQDYQKSD-UHFFFAOYSA-N 2 0 376.548 3.731 20 30 GHEDRP C=CCCCCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCOC ZINC001221411688 1032403945 /nfs/dbraw/zinc/40/39/45/1032403945.db2.gz GWMPIVODZFUNGK-PMACEKPBSA-N 2 0 395.975 3.539 20 30 GHEDRP C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000926754841 1017310923 /nfs/dbraw/zinc/31/09/23/1017310923.db2.gz SGZYRXXLAOUTMA-RBUKOAKNSA-N 2 0 392.588 3.627 20 30 GHEDRP C=CCN1C(=O)CCC12CC[NH+](CC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC001207289420 1034240547 /nfs/dbraw/zinc/24/05/47/1034240547.db2.gz NBATZLQIVGPPFN-UHFFFAOYSA-N 2 0 381.564 3.542 20 30 GHEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CCCc2cccc(C(F)(F)F)c2)CC1 ZINC001207848917 1034621702 /nfs/dbraw/zinc/62/17/02/1034621702.db2.gz RZOGBWDFBXPGCP-UHFFFAOYSA-N 2 0 395.513 3.930 20 30 GHEDRP C=C1C[NH2+][C@](C)(C(=O)N(Cc2ccccc2)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001160684649 1035035444 /nfs/dbraw/zinc/03/54/44/1035035444.db2.gz XVAONZVSWWOUMK-NOZRDPDXSA-N 2 0 389.543 3.598 20 30 GHEDRP C=CCCCC[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2ccccn2)C1 ZINC001209201040 1035206708 /nfs/dbraw/zinc/20/67/08/1035206708.db2.gz UDSOHVVDXMRITI-UPVQGACJSA-N 2 0 383.580 3.988 20 30 GHEDRP CCCCCCCCCCCC[C@H](O)C[NH2+]C[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001245978709 1037103611 /nfs/dbraw/zinc/10/36/11/1037103611.db2.gz PGACPTRBZKOWLJ-VABKMULXSA-N 2 0 398.632 3.643 20 30 GHEDRP N#Cc1cccc(O[C@@H]2CCC[N@@H+]([C@@H]3CC[NH2+][C@H](Cc4ccccc4)C3)C2)c1 ZINC001246847903 1037673379 /nfs/dbraw/zinc/67/33/79/1037673379.db2.gz YVYYEMOTHMFNRV-CQOQZXRMSA-N 2 0 375.516 3.765 20 30 GHEDRP C=CCCCCCC[C@H](O)C[NH2+][C@H]1CC[C@H]([NH+]2CCN(CC3CC3)CC2)CC1 ZINC001253250932 1039502748 /nfs/dbraw/zinc/50/27/48/1039502748.db2.gz FXQTUCJGKRMHON-HJOGWXRNSA-N 2 0 391.644 3.802 20 30 GHEDRP N#C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC001254649148 1040418104 /nfs/dbraw/zinc/41/81/04/1040418104.db2.gz NTAXYBSDMAWVBT-LPHOPBHVSA-N 2 0 376.342 3.943 20 30 GHEDRP C=CCN1C(=O)CCC12CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC001255143450 1040855553 /nfs/dbraw/zinc/85/55/53/1040855553.db2.gz WKNDHPACGQIQGK-NUNAXRQHSA-N 2 0 393.575 3.825 20 30 GHEDRP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccccc2-c2ccncc2)CC1 ZINC001235623693 1041049289 /nfs/dbraw/zinc/04/92/89/1041049289.db2.gz RUQWQIFVJAZNFH-UHFFFAOYSA-N 2 0 376.548 3.540 20 30 GHEDRP CC(C)(C)OC(=O)N1CC[C@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255593660 1041152666 /nfs/dbraw/zinc/15/26/66/1041152666.db2.gz HBGIWARKMNFIKK-ACRUOGEOSA-N 2 0 398.551 3.640 20 30 GHEDRP N#Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2cn3c4c2cccc4C[NH2+]CC3)C1 ZINC001235968223 1041473442 /nfs/dbraw/zinc/47/34/42/1041473442.db2.gz GFMFBXHINKEOSS-OAQYLSRUSA-N 2 0 386.499 3.660 20 30 GHEDRP CCCCCCCCC[C@H](C)[N@@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001258228915 1044479321 /nfs/dbraw/zinc/47/93/21/1044479321.db2.gz LGZZSGBCFZGEFT-SFHVURJKSA-N 2 0 392.588 3.853 20 30 GHEDRP N#Cc1ccc([C@@H](O)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001327991496 1050347558 /nfs/dbraw/zinc/34/75/58/1050347558.db2.gz HBUWLWWCXTWQCZ-NHYNNZIHSA-N 2 0 375.516 3.767 20 30 GHEDRP C#CCN(C(=O)NCC(CC)(CC)[NH2+][C@H](C)c1ccccc1)C1CC[NH+](C)CC1 ZINC001477908072 1078622710 /nfs/dbraw/zinc/62/27/10/1078622710.db2.gz WNSMAZOLAQKHKU-HXUWFJFHSA-N 2 0 398.595 3.635 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1OC ZINC000430931054 843195888 /nfs/dbraw/zinc/19/58/88/843195888.db2.gz CIDKEXLTCZXJRL-UHFFFAOYSA-N 2 0 395.341 3.598 20 30 GHEDRP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503442630 847709877 /nfs/dbraw/zinc/70/98/77/847709877.db2.gz SMLVRBGBENOQRZ-IFMALSPDSA-N 2 0 395.547 3.567 20 30 GHEDRP [NH2+]=C(NCc1cc2ccccc2s1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000262002090 850423715 /nfs/dbraw/zinc/42/37/15/850423715.db2.gz QDKCRQLLMHEUEK-UHFFFAOYSA-N 2 0 378.545 3.970 20 30 GHEDRP C=CCc1cc(CN(Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc(OC)c1O ZINC000435437828 850524655 /nfs/dbraw/zinc/52/46/55/850524655.db2.gz LTCNQLDBSPFCDU-IBGZPJMESA-N 2 0 399.560 3.730 20 30 GHEDRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C(=O)Nc1ccccc1C#N ZINC000249778980 855543458 /nfs/dbraw/zinc/54/34/58/855543458.db2.gz YBUZWCRYCLFWOJ-RBUKOAKNSA-N 2 0 390.531 3.907 20 30 GHEDRP C[NH+](C)[C@@H]1CCC[C@@H](Nc2nc(N[C@H]3CCC[C@@H]([NH+](C)C)C3)ccc2C#N)C1 ZINC000302889327 855959377 /nfs/dbraw/zinc/95/93/77/855959377.db2.gz OVUYNTUXMRKQQE-MTQWCTHYSA-N 2 0 384.572 3.523 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000171710840 856239215 /nfs/dbraw/zinc/23/92/15/856239215.db2.gz ABFPUIATRAGDKL-WOJBJXKFSA-N 2 0 398.595 3.614 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000592484780 856893941 /nfs/dbraw/zinc/89/39/41/856893941.db2.gz QEDAXBWMOSGXDZ-IBGZPJMESA-N 2 0 384.568 3.511 20 30 GHEDRP N#C[C@H]1CC[C@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000442705449 858064589 /nfs/dbraw/zinc/06/45/89/858064589.db2.gz BIDXVZDYTYWKEU-HKUYNNGSSA-N 2 0 394.485 3.889 20 30 GHEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594927157 858306929 /nfs/dbraw/zinc/30/69/29/858306929.db2.gz YMPBMHUHOGNEAA-UHFFFAOYSA-N 2 0 388.559 3.669 20 30 GHEDRP N#Cc1ccc2ncc(C[NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CC34CCC4)n2c1 ZINC000595001213 858362734 /nfs/dbraw/zinc/36/27/34/858362734.db2.gz RTUAZPDXZQIVFA-OAQYLSRUSA-N 2 0 385.515 3.598 20 30 GHEDRP CC1(C)CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000595949018 858729684 /nfs/dbraw/zinc/72/96/84/858729684.db2.gz UULDQLXVWRCFPQ-VXKWHMMOSA-N 2 0 396.579 3.547 20 30 GHEDRP C=C(C[NH+]1CCCC1)C(=O)N1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001183044107 912212490 /nfs/dbraw/zinc/21/24/90/912212490.db2.gz CRAWCYOJIRSXJW-UHFFFAOYSA-N 2 0 381.564 3.543 20 30 GHEDRP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000611497737 859785698 /nfs/dbraw/zinc/78/56/98/859785698.db2.gz FTYHQIAHNQFYKL-JOCHJYFZSA-N 2 0 399.542 3.961 20 30 GHEDRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000922506099 860104277 /nfs/dbraw/zinc/10/42/77/860104277.db2.gz YHYQMTBZKMARFJ-UHFFFAOYSA-N 2 0 392.551 3.745 20 30 GHEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000602718363 860228669 /nfs/dbraw/zinc/22/86/69/860228669.db2.gz NIQNJKLIEMBZQO-UNMCSNQZSA-N 2 0 381.564 3.977 20 30 GHEDRP C=CCOc1c(Cl)cc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc1OC ZINC000598974518 860708066 /nfs/dbraw/zinc/70/80/66/860708066.db2.gz QNHHVOGSANUGMV-UHFFFAOYSA-N 2 0 384.973 3.830 20 30 GHEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898518695 864078849 /nfs/dbraw/zinc/07/88/49/864078849.db2.gz JMBIPUZHKHZWGS-XBYSBRQOSA-N 2 0 381.564 3.976 20 30 GHEDRP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000524184671 868674282 /nfs/dbraw/zinc/67/42/82/868674282.db2.gz NGVIRFTWDXPUIR-GOSISDBHSA-N 2 0 388.531 3.513 20 30 GHEDRP CC[N@H+](CCC1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1)CC1CC1 ZINC000538951085 870962298 /nfs/dbraw/zinc/96/22/98/870962298.db2.gz UIWJCLNUXPBWEN-UHFFFAOYSA-N 2 0 382.552 3.721 20 30 GHEDRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000463298114 871362818 /nfs/dbraw/zinc/36/28/18/871362818.db2.gz UXHZICLDCZQPTI-MAUKXSAKSA-N 2 0 380.458 3.629 20 30 GHEDRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000447586260 871890431 /nfs/dbraw/zinc/89/04/31/871890431.db2.gz LWFDOUDHSJZMGD-QHCPKHFHSA-N 2 0 390.531 3.625 20 30 GHEDRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000530640359 878251040 /nfs/dbraw/zinc/25/10/40/878251040.db2.gz ZNCVCIPPXJGUMV-UHFFFAOYSA-N 2 0 394.466 3.680 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(CC[N@@H+](CC)CC(C)C)CC2)CC1 ZINC000538070362 878796330 /nfs/dbraw/zinc/79/63/30/878796330.db2.gz IIWFOBIBQXVMJN-UHFFFAOYSA-N 2 0 392.632 3.817 20 30 GHEDRP C#CCCOc1ccc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000113318377 880503104 /nfs/dbraw/zinc/50/31/04/880503104.db2.gz UOSDTSUUUAKBSG-SFTDATJTSA-N 2 0 392.543 3.988 20 30 GHEDRP N#Cc1cccc(OCCC[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001170206188 881208140 /nfs/dbraw/zinc/20/81/40/881208140.db2.gz SFFJKWONUIFVJW-DEOSSOPVSA-N 2 0 375.516 3.925 20 30 GHEDRP [NH2+]=C(NCc1ccc(C[NH+]2CCCCC2)cc1)Nc1ccc2c(c1)OCCCO2 ZINC000104158064 904544524 /nfs/dbraw/zinc/54/45/24/904544524.db2.gz XLHBWAOJVVSSKT-UHFFFAOYSA-N 2 0 394.519 3.761 20 30 GHEDRP C=CCOCc1nn([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c2c1C[NH2+]C2 ZINC001171979811 905229569 /nfs/dbraw/zinc/22/95/69/905229569.db2.gz GFXKXUIYYXTQHO-LJQANCHMSA-N 2 0 380.536 3.805 20 30 GHEDRP C=CCOc1cccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC001177222810 908472362 /nfs/dbraw/zinc/47/23/62/908472362.db2.gz QDILMRWNFYFIJK-XMMPIXPASA-N 2 0 379.548 3.720 20 30 GHEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NCCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000303896637 915302933 /nfs/dbraw/zinc/30/29/33/915302933.db2.gz QBSXFSIIYGAJAO-KRWDZBQOSA-N 2 0 376.545 3.723 20 30 GHEDRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000304499666 915526264 /nfs/dbraw/zinc/52/62/64/915526264.db2.gz RDEDUKDGAFPVFS-XMSQKQJNSA-N 2 0 392.547 3.847 20 30 GHEDRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NCC2CCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000304764536 915700300 /nfs/dbraw/zinc/70/03/00/915700300.db2.gz YCEURCSWMFIORJ-WMZOPIPTSA-N 2 0 382.474 3.793 20 30 GHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)N[C@H](C)c2cc(C#N)ccn2)CC1 ZINC000902794081 922501185 /nfs/dbraw/zinc/50/11/85/922501185.db2.gz SLHUQDSKMLDRCE-IAGOWNOFSA-N 2 0 381.499 3.646 20 30 GHEDRP COc1ccc(C2([NH2+]CC#CC[NH2+]C3(c4ccc(OC)cc4)CC3)CC2)cc1 ZINC000560164995 933102564 /nfs/dbraw/zinc/10/25/64/933102564.db2.gz WGXKJLFUFOISHM-UHFFFAOYSA-N 2 0 376.500 3.565 20 30 GHEDRP N#CC1(CCCC[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)CCC1 ZINC000930071529 933813038 /nfs/dbraw/zinc/81/30/38/933813038.db2.gz IMAOZXCJSBULLE-UHFFFAOYSA-N 2 0 388.600 3.555 20 30 GHEDRP N#Cc1cc(Cl)nc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001155358128 1032516920 /nfs/dbraw/zinc/51/69/20/1032516920.db2.gz OZIPUNUFZLJDEH-LJQANCHMSA-N 2 0 395.938 3.520 20 30 GHEDRP C[C@@H]([NH2+]C1(C[NH+]=C(NCc2ccccc2)N(C)C)CCOCC1)c1ccccc1 ZINC000304746888 1021153895 /nfs/dbraw/zinc/15/38/95/1021153895.db2.gz FZGTXPXOCCMXMQ-HXUWFJFHSA-N 2 0 394.563 3.594 20 30 GHEDRP C=CCc1cccc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccco4)CO3)CC2)c1O ZINC001138627133 1025125696 /nfs/dbraw/zinc/12/56/96/1025125696.db2.gz XUGFWMQBNOFACN-NRFANRHFSA-N 2 0 396.531 3.969 20 30 GHEDRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)cc1 ZINC001138773381 1025345429 /nfs/dbraw/zinc/34/54/29/1025345429.db2.gz BVGJOPWWWVJCRA-HSZRJFAPSA-N 2 0 379.504 3.542 20 30 GHEDRP N#Cc1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)ncc1Cl ZINC001162928277 1025969845 /nfs/dbraw/zinc/96/98/45/1025969845.db2.gz IGWNEVGFNQGLKA-LJQANCHMSA-N 2 0 395.938 3.520 20 30 GHEDRP N#Cc1c[nH]c2cc(NC[C@@H]3C[N@H+](Cc4ccccc4)CC34CC[NH2+]CC4)ccc12 ZINC001162935847 1025973661 /nfs/dbraw/zinc/97/36/61/1025973661.db2.gz WONRYQPWEQWVGG-OAQYLSRUSA-N 2 0 399.542 3.953 20 30 GHEDRP N#Cc1ccnc(-c2ccc(C[N@@H+]3C[C@@H](c4ccccc4)C4(C[NH2+]C4)C3)cc2)c1 ZINC001222602578 1030228083 /nfs/dbraw/zinc/22/80/83/1030228083.db2.gz UGUPVPCSLDHTOR-QHCPKHFHSA-N 2 0 380.495 3.809 20 30 GHEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC1CCC(C)([NH+]2CCCC2)CC1)C(C)C ZINC001220600922 1032004696 /nfs/dbraw/zinc/00/46/96/1032004696.db2.gz YEQYPPQEJNIAIB-QKDPSFTKSA-N 2 0 390.616 3.781 20 30 GHEDRP C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207291532 1034243733 /nfs/dbraw/zinc/24/37/33/1034243733.db2.gz RLQJAMBGEMKWEC-RPWUZVMVSA-N 2 0 384.564 3.725 20 30 GHEDRP CC(C)c1ccc(C#N)c(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001159460273 1034606260 /nfs/dbraw/zinc/60/62/60/1034606260.db2.gz QPWAMRKFYVICKR-UHFFFAOYSA-N 2 0 387.531 3.986 20 30 GHEDRP N#Cc1cccc(O[C@H]2CCC[N@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC001208954999 1035127635 /nfs/dbraw/zinc/12/76/35/1035127635.db2.gz XOFCYHOZJBMLOH-UPVQGACJSA-N 2 0 375.516 3.924 20 30 GHEDRP CCCCCCCCCCCC[C@@H](O)C[NH2+]Cc1nnn2c1C[NH2+]CCC2 ZINC001245986316 1037109554 /nfs/dbraw/zinc/10/95/54/1037109554.db2.gz OHMMYDHXKGBCDL-LJQANCHMSA-N 2 0 379.593 3.533 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC001245989276 1037112949 /nfs/dbraw/zinc/11/29/49/1037112949.db2.gz FMZAAXSNPOMPOX-YPAWHYETSA-N 2 0 386.621 3.628 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]C12CC([NH3+])(C1)C2 ZINC001246012572 1037134153 /nfs/dbraw/zinc/13/41/53/1037134153.db2.gz BABARZORJWHTRK-HWELCPFYSA-N 2 0 384.605 3.525 20 30 GHEDRP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)s1)CC2 ZINC001232843493 1038594628 /nfs/dbraw/zinc/59/46/28/1038594628.db2.gz YXPPCVUMITXLNQ-IBGZPJMESA-N 2 0 381.545 3.875 20 30 GHEDRP CCCCCCCC[C@H](O)C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001252126251 1038874623 /nfs/dbraw/zinc/87/46/23/1038874623.db2.gz OIAGCGCIMYLOOV-VJBWXMMDSA-N 2 0 380.617 3.778 20 30 GHEDRP N#Cc1ccc(Oc2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cn2)cc1 ZINC001235426411 1040927750 /nfs/dbraw/zinc/92/77/50/1040927750.db2.gz KUERMKCCFIFJNM-RTWAWAEBSA-N 2 0 376.504 3.957 20 30 GHEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C2CCC(OCc3ccccc3)CC2)CC1 ZINC001257835714 1044210961 /nfs/dbraw/zinc/21/09/61/1044210961.db2.gz OQUQNVBBVPSLQY-UHFFFAOYSA-N 2 0 397.607 3.806 20 30 GHEDRP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H](C)CCC[NH+](CC)CC)C2)CC1 ZINC001258908572 1044861714 /nfs/dbraw/zinc/86/17/14/1044861714.db2.gz XNXOKRVNGHPKCF-HXUWFJFHSA-N 2 0 379.589 3.998 20 30 GHEDRP N#Cc1ccccc1OCCN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001459653128 1064154676 /nfs/dbraw/zinc/15/46/76/1064154676.db2.gz HCBWIELHQGNDHY-DHIUTWEWSA-N 2 0 375.516 3.924 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1OCC ZINC000655826421 837990695 /nfs/dbraw/zinc/99/06/95/837990695.db2.gz VMFINTHBHUCWQG-FZNQNYSPSA-N 2 0 397.357 3.842 20 30 GHEDRP C(#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1)C[NH+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661876460 842274166 /nfs/dbraw/zinc/27/41/66/842274166.db2.gz UDWIFJJOGNOQJQ-NEWJYFPISA-N 2 0 388.596 3.552 20 30 GHEDRP CCCCCCC[NH+]1CC2(C1)SCC[C@@H]2C(=O)N(C)CC[NH+](CC)CC ZINC001279866548 845115534 /nfs/dbraw/zinc/11/55/34/845115534.db2.gz OSLZYGISTXEZSS-LJQANCHMSA-N 2 0 383.646 3.565 20 30 GHEDRP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433124413 845452913 /nfs/dbraw/zinc/45/29/13/845452913.db2.gz CDKRBLOTDXEZGC-OAQYLSRUSA-N 2 0 383.580 3.788 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)CC1 ZINC000502762734 846439570 /nfs/dbraw/zinc/43/95/70/846439570.db2.gz KMZCTTIMMBRMPV-FQEVSTJZSA-N 2 0 398.595 3.990 20 30 GHEDRP C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183198436 846525238 /nfs/dbraw/zinc/52/52/38/846525238.db2.gz XYBBKPSPBFESEH-UGKGYDQZSA-N 2 0 380.580 3.765 20 30 GHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)CC1 ZINC000271773738 846915396 /nfs/dbraw/zinc/91/53/96/846915396.db2.gz GMENHPBBAUZTQZ-GOSISDBHSA-N 2 0 396.510 3.721 20 30 GHEDRP C=CCc1cc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc(OC)c1O ZINC000657612786 848328615 /nfs/dbraw/zinc/32/86/15/848328615.db2.gz RSRFOCAJLBZIPX-UHFFFAOYSA-N 2 0 381.520 3.526 20 30 GHEDRP CC[NH+](CC)CCOC1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000426445777 850199257 /nfs/dbraw/zinc/19/92/57/850199257.db2.gz OUVRSRXHBKEMBI-UHFFFAOYSA-N 2 0 382.470 3.880 20 30 GHEDRP CN(Cc1ccccc1C(C)(C)C#N)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188293748 853921180 /nfs/dbraw/zinc/92/11/80/853921180.db2.gz YUGLBMHWVMUCSJ-DEOSSOPVSA-N 2 0 377.532 3.557 20 30 GHEDRP C[NH+](C)C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(Cl)cc1 ZINC000330425513 854670070 /nfs/dbraw/zinc/67/00/70/854670070.db2.gz GGGUMLIBKWDDSP-QGZVFWFLSA-N 2 0 380.964 3.756 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000171710823 856239129 /nfs/dbraw/zinc/23/91/29/856239129.db2.gz ZKCOPRWJVSIDMO-BGYRXZFFSA-N 2 0 398.595 3.614 20 30 GHEDRP Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000443028999 858320195 /nfs/dbraw/zinc/32/01/95/858320195.db2.gz GCKBPHRBMSAXPC-UHFFFAOYSA-N 2 0 393.579 3.579 20 30 GHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)CC1 ZINC000543183130 858759131 /nfs/dbraw/zinc/75/91/31/858759131.db2.gz KDFOILRPWKYROV-GOSISDBHSA-N 2 0 380.511 3.884 20 30 GHEDRP C#CCOc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)cc1 ZINC000856561882 881468878 /nfs/dbraw/zinc/46/88/78/881468878.db2.gz WVVWACBQWPFQFV-DEOSSOPVSA-N 2 0 393.531 3.587 20 30 GHEDRP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(CC#N)cc3)C2)ccn1 ZINC000856604435 881581736 /nfs/dbraw/zinc/58/17/36/881581736.db2.gz WYSQQZVKBXAKKC-HSZRJFAPSA-N 2 0 378.520 3.641 20 30 GHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)CC1 ZINC000599350402 861089557 /nfs/dbraw/zinc/08/95/57/861089557.db2.gz XLOVIRZSUHLERO-GOSISDBHSA-N 2 0 380.511 3.999 20 30 GHEDRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)CC1 ZINC000733898351 863328590 /nfs/dbraw/zinc/32/85/90/863328590.db2.gz RAKYBAHLJKYTBJ-UHFFFAOYSA-N 2 0 398.595 3.994 20 30 GHEDRP CC[N@H+](C)Cc1cccc(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)c1 ZINC000304491172 866498575 /nfs/dbraw/zinc/49/85/75/866498575.db2.gz LVEBICACLDBBKW-UHFFFAOYSA-N 2 0 394.441 3.641 20 30 GHEDRP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000121647245 869672107 /nfs/dbraw/zinc/67/21/07/869672107.db2.gz WWFRZURQEOEORI-HXUWFJFHSA-N 2 0 384.568 3.602 20 30 GHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCOc2ccccc2C#N)CC1 ZINC000538210227 879063760 /nfs/dbraw/zinc/06/37/60/879063760.db2.gz DLWZZCHFLHTCOG-GOSISDBHSA-N 2 0 396.510 3.569 20 30 GHEDRP N#Cc1ccc(Cl)c(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)n1 ZINC001170530751 885675101 /nfs/dbraw/zinc/67/51/01/885675101.db2.gz CSDKCCZFKSLQGL-UHFFFAOYSA-N 2 0 379.895 3.516 20 30 GHEDRP C/C(=N\O)c1ccc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)cc1 ZINC001170531881 885702780 /nfs/dbraw/zinc/70/27/80/885702780.db2.gz UUULBRIBKIKJSI-KOEQRZSOSA-N 2 0 376.504 3.794 20 30 GHEDRP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000123285171 890487550 /nfs/dbraw/zinc/48/75/50/890487550.db2.gz WJGQXQCGNVNYFX-FQEVSTJZSA-N 2 0 384.568 3.684 20 30 GHEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)[C@@H](C)C1 ZINC000536867395 893967027 /nfs/dbraw/zinc/96/70/27/893967027.db2.gz DFWGISXQQMUUJL-OZRWQMGGSA-N 2 0 399.579 3.975 20 30 GHEDRP CO[C@@H]1CC[NH+](Cc2cc(C#N)cc(C[N@H+]3CC[C@H](OC)C[C@@H]3C)c2)[C@@H](C)C1 ZINC000878554922 894379596 /nfs/dbraw/zinc/37/95/96/894379596.db2.gz MQDSYNZLIQMJDB-HTUUBCJYSA-N 2 0 385.552 3.557 20 30 GHEDRP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2cncc(C#N)c2)CC3)c1 ZINC001144075967 901040892 /nfs/dbraw/zinc/04/08/92/901040892.db2.gz XPHYIWBEKURZOE-UHFFFAOYSA-N 2 0 390.531 3.840 20 30 GHEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000773068317 904412221 /nfs/dbraw/zinc/41/22/21/904412221.db2.gz ISLBDNHJYLTYEC-DQLDELGASA-N 2 0 378.944 3.846 20 30 GHEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NCCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000303879468 915238375 /nfs/dbraw/zinc/23/83/75/915238375.db2.gz GOAVIDULWNQGBP-KRWDZBQOSA-N 2 0 376.545 3.865 20 30 GHEDRP CC1CC[NH+](Cc2cccc(CNC(=[NH2+])N[C@@H]3CCOc4ccccc43)c2)CC1 ZINC000304498792 915525257 /nfs/dbraw/zinc/52/52/57/915525257.db2.gz OOEQDJRMTQYXRL-JOCHJYFZSA-N 2 0 392.547 3.847 20 30 GHEDRP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1C#N ZINC000781422970 930838320 /nfs/dbraw/zinc/83/83/20/930838320.db2.gz OEGGGXQWMRGIAC-YMPZKCBVSA-N 2 0 375.516 3.957 20 30 GHEDRP C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000926116099 932054352 /nfs/dbraw/zinc/05/43/52/932054352.db2.gz XGJYOELLXYJPCG-SFHVURJKSA-N 2 0 392.588 3.627 20 30 GHEDRP C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000926754838 932292291 /nfs/dbraw/zinc/29/22/91/932292291.db2.gz SGZYRXXLAOUTMA-OALUTQOASA-N 2 0 392.588 3.627 20 30 GHEDRP C[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000562096338 934694291 /nfs/dbraw/zinc/69/42/91/934694291.db2.gz QWGDRUSDGYVYDJ-ZHRRBRCNSA-N 2 0 378.495 3.787 20 30 GHEDRP COc1cc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)cc(C[NH+](C)C)c1O ZINC001139257609 1026108612 /nfs/dbraw/zinc/10/86/12/1026108612.db2.gz ZECHZSBLXFCJKH-UHFFFAOYSA-N 2 0 379.504 3.714 20 30 GHEDRP [NH2+]=C(Nc1cccc2cc([C@@H]3C[NH2+]CCO3)cn21)c1ccc(C(F)(F)F)cc1 ZINC001163683826 1026281996 /nfs/dbraw/zinc/28/19/96/1026281996.db2.gz KNKOWYDZCWPVPQ-KRWDZBQOSA-N 2 0 388.393 3.656 20 30 GHEDRP C=CCn1cc(C[NH+]2CCC3(CC2)CC[NH+](Cc2cccc(OC)c2)CC3)cn1 ZINC001139769407 1026604398 /nfs/dbraw/zinc/60/43/98/1026604398.db2.gz CGRSINCKOUPODI-UHFFFAOYSA-N 2 0 394.563 3.956 20 30 GHEDRP N#Cc1cc(Cl)c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1C(F)(F)F ZINC001210270947 1027418549 /nfs/dbraw/zinc/41/85/49/1027418549.db2.gz NLTLGGJEFBTKKT-UHFFFAOYSA-N 2 0 381.789 3.779 20 30 GHEDRP C=CCOC[C@]12CCCO[C@H]1CC[N@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207289859 1034240654 /nfs/dbraw/zinc/24/06/54/1034240654.db2.gz XYGFCWQHTYHUPE-LOSJGSFVSA-N 2 0 398.591 3.972 20 30 GHEDRP C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](CCCc1ccc(C#N)cc1)CC2 ZINC001208860161 1035063911 /nfs/dbraw/zinc/06/39/11/1035063911.db2.gz YRBKZDLXBGYIBE-QFIPXVFZSA-N 2 0 393.531 3.839 20 30 GHEDRP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)[C@H]2CC ZINC001208941981 1035112281 /nfs/dbraw/zinc/11/22/81/1035112281.db2.gz AYOJMEHMCAWXEY-LSQMVHIFSA-N 2 0 395.591 3.930 20 30 GHEDRP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208945938 1035116916 /nfs/dbraw/zinc/11/69/16/1035116916.db2.gz OEROBBIHDGGOPY-WXFUMESZSA-N 2 0 384.564 3.582 20 30 GHEDRP C=CCCCCC[C@H]([NH3+])C(=O)N(Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001161436602 1035230859 /nfs/dbraw/zinc/23/08/59/1035230859.db2.gz MPAMGVOXKFSZSN-NRFANRHFSA-N 2 0 375.532 3.712 20 30 GHEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC001241771658 1035693090 /nfs/dbraw/zinc/69/30/90/1035693090.db2.gz MRTQOSOJAVBPFT-QHCPKHFHSA-N 2 0 377.532 3.968 20 30 GHEDRP COc1ccc2c(c1)C1(C[C@@H]2[NH2+][C@H](C)Cc2cccc(C#N)c2)CC[NH2+]CC1 ZINC001246127686 1037207026 /nfs/dbraw/zinc/20/70/26/1037207026.db2.gz OWRVMZGZJYCWJX-HXOBKFHXSA-N 2 0 375.516 3.854 20 30 GHEDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(c4cccc(C#N)c4)CC3)c(F)c2)CC1 ZINC001236937431 1041964752 /nfs/dbraw/zinc/96/47/52/1041964752.db2.gz HECXCYHUGBRIPC-UHFFFAOYSA-N 2 0 392.522 3.829 20 30 GHEDRP CC[NH+](CC)CCCN1CC[NH+](C2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001257020824 1043805972 /nfs/dbraw/zinc/80/59/72/1043805972.db2.gz KCBXFJSCIGXPKF-UHFFFAOYSA-N 2 0 382.596 3.934 20 30 GHEDRP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C[C@@H]2C1 ZINC001335133621 1052040999 /nfs/dbraw/zinc/04/09/99/1052040999.db2.gz KFUKRFOBYYQTGR-RZUBCFFCSA-N 2 0 377.536 3.626 20 30 GHEDRP C=CCOc1ccc(CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000849051209 1057561712 /nfs/dbraw/zinc/56/17/12/1057561712.db2.gz AZBICTNYZNOYBS-UHFFFAOYSA-N 2 0 378.520 3.530 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC(C)C)CC1 ZINC001464911668 1065269851 /nfs/dbraw/zinc/26/98/51/1065269851.db2.gz YVTCANXHIFPOAF-ISKFKSNPSA-N 2 0 397.607 3.937 20 30 GHEDRP Cc1cc(C#N)cc(C)c1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001473206997 1073860404 /nfs/dbraw/zinc/86/04/04/1073860404.db2.gz OKOPQPPYOONWEQ-UHFFFAOYSA-N 2 0 382.596 3.803 20 30 GHEDRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000161772349 834655992 /nfs/dbraw/zinc/65/59/92/834655992.db2.gz HMQZYMOPBAYYKC-PGRDOPGGSA-N 2 0 381.568 3.555 20 30 GHEDRP C=CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1Cl ZINC000685457310 835023038 /nfs/dbraw/zinc/02/30/38/835023038.db2.gz AMLNFNVFZAHPKX-LJQANCHMSA-N 2 0 377.960 3.505 20 30 GHEDRP C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179396621 835674222 /nfs/dbraw/zinc/67/42/22/835674222.db2.gz SATNWZKBAHNKCY-UHFFFAOYSA-N 2 0 391.519 3.520 20 30 GHEDRP C=CC[C@@]1(C(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CCC[NH2+]1 ZINC000662728212 841496162 /nfs/dbraw/zinc/49/61/62/841496162.db2.gz JMLYIVFCDAQEJE-FQEVSTJZSA-N 2 0 396.362 3.772 20 30 GHEDRP N#Cc1cccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000555612573 861415604 /nfs/dbraw/zinc/41/56/04/861415604.db2.gz UFJMSTDDHCFTFM-HSZRJFAPSA-N 2 0 375.516 3.577 20 30 GHEDRP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503442632 847709388 /nfs/dbraw/zinc/70/93/88/847709388.db2.gz SMLVRBGBENOQRZ-IRLDBZIGSA-N 2 0 395.547 3.567 20 30 GHEDRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000488391700 851455752 /nfs/dbraw/zinc/45/57/52/851455752.db2.gz OTRNVCCGJQBDMZ-GOSISDBHSA-N 2 0 388.531 3.515 20 30 GHEDRP N#Cc1cccc(CN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c1 ZINC001167975058 851724794 /nfs/dbraw/zinc/72/47/94/851724794.db2.gz GHNSNMAKUPPLSE-CWAQXLGLSA-N 2 0 378.564 3.518 20 30 GHEDRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccc(C#N)cc3Cl)CC2)CC1 ZINC000439430637 853644781 /nfs/dbraw/zinc/64/47/81/853644781.db2.gz MXULLCWIMWFTBQ-UHFFFAOYSA-N 2 0 388.987 3.840 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000517318582 853652420 /nfs/dbraw/zinc/65/24/20/853652420.db2.gz XGPIWCRGTZBVIJ-HXUWFJFHSA-N 2 0 398.595 3.758 20 30 GHEDRP CN1CCC([NH+]2CCC(CC[N@H+](C)CC#Cc3ccccc3Cl)CC2)CC1 ZINC000441157372 853955385 /nfs/dbraw/zinc/95/53/85/853955385.db2.gz UBLJUJRJKGSCHS-UHFFFAOYSA-N 2 0 387.999 3.820 20 30 GHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(C#N)cc2C)CC1 ZINC000186321726 854882395 /nfs/dbraw/zinc/88/23/95/854882395.db2.gz VJIDNCCUEPHTDT-GOSISDBHSA-N 2 0 380.511 3.999 20 30 GHEDRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C(=O)Nc1ccccc1C#N ZINC000249778984 855543249 /nfs/dbraw/zinc/54/32/49/855543249.db2.gz YBUZWCRYCLFWOJ-RTBURBONSA-N 2 0 390.531 3.907 20 30 GHEDRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccc(C4(C#N)CC4)cc3)CC2)CC1 ZINC000597023076 859241045 /nfs/dbraw/zinc/24/10/45/859241045.db2.gz ZIEULGCTCAGBIR-UHFFFAOYSA-N 2 0 394.607 3.870 20 30 GHEDRP C[NH+](C)CCC[C@@H]1CN(Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000597248309 859392110 /nfs/dbraw/zinc/39/21/10/859392110.db2.gz PVCVEYNRHCROKV-XMMPIXPASA-N 2 0 393.531 3.680 20 30 GHEDRP C[C@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CCN1c1cc[nH+]cc1 ZINC000895557404 859651724 /nfs/dbraw/zinc/65/17/24/859651724.db2.gz PDRHISUVQXOQNO-IBGZPJMESA-N 2 0 386.503 3.569 20 30 GHEDRP C[C@@H]([NH2+]CC#CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000792874358 881762862 /nfs/dbraw/zinc/76/28/62/881762862.db2.gz FLWITJNMRYFKBY-HZPDHXFCSA-N 2 0 382.420 3.508 20 30 GHEDRP CC1CC[NH+](Cc2ccc(CNC(=[NH2+])N[C@@H]3CCOc4ccccc43)cc2)CC1 ZINC000304473007 866498703 /nfs/dbraw/zinc/49/87/03/866498703.db2.gz FTOBSGPFRPHSSV-JOCHJYFZSA-N 2 0 392.547 3.847 20 30 GHEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCC(=O)N1Cc3ccccc3C#Cc3ccccc31)C2 ZINC001169114798 871247884 /nfs/dbraw/zinc/24/78/84/871247884.db2.gz YQKQWKLQNHJOFF-BKFWDETESA-N 2 0 399.538 3.538 20 30 GHEDRP C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1 ZINC000105462673 875300570 /nfs/dbraw/zinc/30/05/70/875300570.db2.gz PYJDVFNACVVNII-MSOLQXFVSA-N 2 0 396.510 3.719 20 30 GHEDRP COc1ccc([C@H](C)[NH2+]CC#CC[NH2+][C@@H](C)c2ccc(OC)c(F)c2)cc1F ZINC000556502033 885182690 /nfs/dbraw/zinc/18/26/90/885182690.db2.gz QLKDWHGFXHQCOL-HOTGVXAUSA-N 2 0 388.458 3.987 20 30 GHEDRP CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC001211975241 888763703 /nfs/dbraw/zinc/76/37/03/888763703.db2.gz AJCIIFYBTPSIMU-UXHICEINSA-N 2 0 386.540 3.876 20 30 GHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(C#N)c(C)c2)CC1 ZINC000488142505 889192559 /nfs/dbraw/zinc/19/25/59/889192559.db2.gz BXCAYYGMESJZTE-GOSISDBHSA-N 2 0 380.511 3.999 20 30 GHEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccccn2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000262544888 892296236 /nfs/dbraw/zinc/29/62/36/892296236.db2.gz UOUJREQZNZZKOS-CRAIPNDOSA-N 2 0 391.441 3.910 20 30 GHEDRP Cc1cnccc1OC1CCN([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000563782685 894186629 /nfs/dbraw/zinc/18/66/29/894186629.db2.gz HSQAZUFKRLIEOJ-YZOUICBYSA-N 2 0 398.551 3.553 20 30 GHEDRP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001172303392 905456649 /nfs/dbraw/zinc/45/66/49/905456649.db2.gz CNPKCGWUUCMQDE-KNQAVFIVSA-N 2 0 393.531 3.838 20 30 GHEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181518559 907018418 /nfs/dbraw/zinc/01/84/18/907018418.db2.gz MUHIXHAKHMYJDO-HXUWFJFHSA-N 2 0 392.547 3.577 20 30 GHEDRP CC[NH+](CC)[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)Cc1ccccc1 ZINC000303905083 915307599 /nfs/dbraw/zinc/30/75/99/915307599.db2.gz VIQYJWMPKOVOTO-HXUWFJFHSA-N 2 0 396.535 3.528 20 30 GHEDRP [NH2+]=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000304739447 915669094 /nfs/dbraw/zinc/66/90/94/915669094.db2.gz BFFATZBJTAAGSQ-LJQANCHMSA-N 2 0 386.540 3.619 20 30 GHEDRP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374319026 927015844 /nfs/dbraw/zinc/01/58/44/927015844.db2.gz UYYRNKITHTXBEJ-CPJSRVTESA-N 2 0 388.559 3.683 20 30 GHEDRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000924753404 931525344 /nfs/dbraw/zinc/52/53/44/931525344.db2.gz PFZDPJYKBQRIEL-RTBURBONSA-N 2 0 392.588 3.627 20 30 GHEDRP N#Cc1c(Cl)ccnc1NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001155357495 1032516319 /nfs/dbraw/zinc/51/63/19/1032516319.db2.gz GCPKACHWOKSLTK-GOSISDBHSA-N 2 0 395.938 3.520 20 30 GHEDRP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccc(OCCC[NH+](C)C)cc1)C2 ZINC001204266156 1032709665 /nfs/dbraw/zinc/70/96/65/1032709665.db2.gz TZEIGMXUVCNCBF-XMMPIXPASA-N 2 0 399.579 3.550 20 30 GHEDRP C[C@@H]1C[NH+](Cc2ccc(CNC(=[NH2+])Nc3ccc4c(c3)CCC4)cc2)C[C@@H](C)O1 ZINC000303908936 1021147917 /nfs/dbraw/zinc/14/79/17/1021147917.db2.gz XYSQDMCWUPRDME-QZTJIDSGSA-N 2 0 392.547 3.711 20 30 GHEDRP Cc1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)ccc1CC#N ZINC001162940678 1025977457 /nfs/dbraw/zinc/97/74/57/1025977457.db2.gz KFOUYRCTBAHVCF-HSZRJFAPSA-N 2 0 388.559 3.975 20 30 GHEDRP C/C(=N\O)c1ccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cc1 ZINC001162942987 1025978412 /nfs/dbraw/zinc/97/84/12/1025978412.db2.gz ZZPIBBVUGLEDBN-DPRDIOBOSA-N 2 0 392.547 3.799 20 30 GHEDRP C[NH+]1CCC(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)(c2ccccc2)CC1 ZINC001461699252 1069685960 /nfs/dbraw/zinc/68/59/60/1069685960.db2.gz WQWOIHDQPOOYCK-UHFFFAOYSA-N 2 0 388.559 3.780 20 30 GHEDRP C=CC[N@@H+]1CCc2c(Cl)c(O[C@@H]3C[NH2+][C@@H]3C)c(O)cc2[C@H](c2ccccc2)C1 ZINC001218393743 1030917630 /nfs/dbraw/zinc/91/76/30/1030917630.db2.gz VWSBYBKDTLFIQN-MFMILTCTSA-N 2 0 398.934 3.961 20 30 GHEDRP N#Cc1ccc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)cc1Br ZINC001206760828 1033973956 /nfs/dbraw/zinc/97/39/56/1033973956.db2.gz MNAUUVYNPMTRAS-UHFFFAOYSA-N 2 0 384.321 3.813 20 30 GHEDRP COc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001231620503 1034777792 /nfs/dbraw/zinc/77/77/92/1034777792.db2.gz CJZRPXCRLAHEOD-FCHUYYIVSA-N 2 0 375.516 3.911 20 30 GHEDRP C#Cc1cccc(CN2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCC2CC2)c1 ZINC001231656047 1034812771 /nfs/dbraw/zinc/81/27/71/1034812771.db2.gz XFRASRMTKYUVRK-RPBOFIJWSA-N 2 0 378.560 3.628 20 30 GHEDRP C=CCN1C(=O)CCC[C@]12CCC[N@H+](C[C@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208938107 1035104409 /nfs/dbraw/zinc/10/44/09/1035104409.db2.gz UVSBOAPMPWHGDX-UKILVPOCSA-N 2 0 395.591 3.932 20 30 GHEDRP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)[C@H]2CC ZINC001208941979 1035110994 /nfs/dbraw/zinc/11/09/94/1035110994.db2.gz AYOJMEHMCAWXEY-CUYJMHBOSA-N 2 0 395.591 3.930 20 30 GHEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CCc2ccc(C(F)(F)F)cc2)CC1 ZINC001209126989 1035184891 /nfs/dbraw/zinc/18/48/91/1035184891.db2.gz MMNWAAOQYVICKB-UHFFFAOYSA-N 2 0 381.486 3.540 20 30 GHEDRP CCCCCCCCCC[C@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001246018017 1037139056 /nfs/dbraw/zinc/13/90/56/1037139056.db2.gz FCAPCQJIHMROGC-SFTDATJTSA-N 2 0 383.621 3.588 20 30 GHEDRP [NH2+]=C(N[C@H]1CCC[NH2+]C1)c1cc2ccc(OC(=O)c3cccs3)cc2s1 ZINC001246294017 1037283627 /nfs/dbraw/zinc/28/36/27/1037283627.db2.gz IMMULXQKRJGSTJ-ZDUSSCGKSA-N 2 0 385.514 3.639 20 30 GHEDRP COc1cccc(CC2(C[NH2+][C@H](C)Cc3cccc(C#N)c3)CC[NH2+]CC2)c1 ZINC001246381734 1037341283 /nfs/dbraw/zinc/34/12/83/1037341283.db2.gz VCUQVIXNDATKLS-LJQANCHMSA-N 2 0 377.532 3.700 20 30 GHEDRP C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H]3CC[NH2+][C@@H](C(C)(C)C)C3)CC2)C1 ZINC001246527445 1037460513 /nfs/dbraw/zinc/46/05/13/1037460513.db2.gz UMWPWKWDUPRPNN-RTBURBONSA-N 2 0 377.573 3.654 20 30 GHEDRP C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CC[NH2+][C@H](Cc3ccccc3)C1)[C@@H]2CC ZINC001246755195 1037596219 /nfs/dbraw/zinc/59/62/19/1037596219.db2.gz HPLXBNSQGGEXKK-WBJOIXBTSA-N 2 0 395.591 3.771 20 30 GHEDRP CCCCCCCC[C@H](O)C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001252138955 1038889895 /nfs/dbraw/zinc/88/98/95/1038889895.db2.gz GHQPSZWEHRDXJC-QFIPXVFZSA-N 2 0 376.585 3.715 20 30 GHEDRP N#Cc1cccc(O[C@@H]2CCC[N@H+](Cc3cn4c5c3cccc5C[NH2+]CC4)C2)c1 ZINC001235968151 1041471385 /nfs/dbraw/zinc/47/13/85/1041471385.db2.gz FBKWUVKUOFQUPY-JOCHJYFZSA-N 2 0 386.499 3.660 20 30 GHEDRP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CCCN(c4ccc(C#N)cn4)CC3)cc21 ZINC001237885122 1042409541 /nfs/dbraw/zinc/40/95/41/1042409541.db2.gz GAPPIZORVNRSMM-UHFFFAOYSA-N 2 0 387.531 3.667 20 30 GHEDRP COc1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)ccc1C#N ZINC001238417773 1042589284 /nfs/dbraw/zinc/58/92/84/1042589284.db2.gz ZFWBIWXKKNHKAG-PKTZIBPZSA-N 2 0 375.516 3.911 20 30 GHEDRP N#Cc1ccc(C2CCC(N3CCn4cc(C[NH+]5CCCC5)nc4C3)CC2)cc1 ZINC001257018006 1043802535 /nfs/dbraw/zinc/80/25/35/1043802535.db2.gz DGHNJOQUEUXGFR-UHFFFAOYSA-N 2 0 389.547 3.893 20 30 GHEDRP Cn1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccc(Cl)s4)C[C@H]3CC2)cc1C#N ZINC001279334145 1047771429 /nfs/dbraw/zinc/77/14/29/1047771429.db2.gz FLHCXNUXYUJCCB-CALCHBBNSA-N 2 0 388.968 3.956 20 30 GHEDRP N#Cc1cccc(NC(=O)CC[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC001326596057 1057519143 /nfs/dbraw/zinc/51/91/43/1057519143.db2.gz IAWTZJIJWXDICQ-QFIPXVFZSA-N 2 0 390.531 3.779 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000511437213 837306238 /nfs/dbraw/zinc/30/62/38/837306238.db2.gz IOELTMVRTUSKHA-QFIPXVFZSA-N 2 0 398.595 3.627 20 30 GHEDRP N#Cc1ccccc1OCC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535680588 844286312 /nfs/dbraw/zinc/28/63/12/844286312.db2.gz OSXSBUHTKUCRAL-UHFFFAOYSA-N 2 0 375.516 3.925 20 30 GHEDRP C[NH+]1CCC(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)(N2CCCCC2)CC1 ZINC000481669543 843419046 /nfs/dbraw/zinc/41/90/46/843419046.db2.gz KICQUPAHSDDHJU-HSZRJFAPSA-N 2 0 380.580 3.866 20 30 GHEDRP N#Cc1cccc(OCC[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000433172096 845579317 /nfs/dbraw/zinc/57/93/17/845579317.db2.gz DEPMQNBKPHGJGV-UHFFFAOYSA-N 2 0 375.516 3.925 20 30 GHEDRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C(=O)NC1(C#N)CCCCC1 ZINC000604044420 861704146 /nfs/dbraw/zinc/70/41/46/861704146.db2.gz MSTYDIRKHLFWKB-WOJBJXKFSA-N 2 0 396.579 3.739 20 30 GHEDRP CC(C)c1ccc([C@@H]([NH3+])CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000423231271 849819560 /nfs/dbraw/zinc/81/95/60/849819560.db2.gz AQFVEOURNKIGCD-DEOSSOPVSA-N 2 0 376.548 3.936 20 30 GHEDRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cn4ccccc4c3C#N)CC2)C[C@H](C)O1 ZINC000426768907 852372303 /nfs/dbraw/zinc/37/23/03/852372303.db2.gz DHBZELDDJDNMCI-OALUTQOASA-N 2 0 380.536 3.522 20 30 GHEDRP N#Cc1ccccc1CSCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000591570972 856156680 /nfs/dbraw/zinc/15/66/80/856156680.db2.gz MWMUWKRTVSNJHZ-IFMALSPDSA-N 2 0 379.529 3.637 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000592340122 856793802 /nfs/dbraw/zinc/79/38/02/856793802.db2.gz SLKNNKWOWUFFJW-UHFFFAOYSA-N 2 0 376.589 3.515 20 30 GHEDRP CCN(CC)c1ccc(/C=[NH+]/C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(O)c1 ZINC000760976910 856888478 /nfs/dbraw/zinc/88/84/78/856888478.db2.gz AICLBJYVBTVTND-AJPHYDNBSA-N 2 0 395.547 3.948 20 30 GHEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(C(C)(C)C#N)cc3)cc2)CC1 ZINC000594495032 858191090 /nfs/dbraw/zinc/19/10/90/858191090.db2.gz NCWXVGSUQNUVND-UHFFFAOYSA-N 2 0 390.575 3.915 20 30 GHEDRP CC1(C)CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000595949020 858729608 /nfs/dbraw/zinc/72/96/08/858729608.db2.gz UULDQLXVWRCFPQ-YADHBBJMSA-N 2 0 396.579 3.547 20 30 GHEDRP C=CCOc1ccccc1C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856553587 881384272 /nfs/dbraw/zinc/38/42/72/881384272.db2.gz DCQSXJYMXVDCHF-QFIPXVFZSA-N 2 0 381.520 3.751 20 30 GHEDRP C=CCOc1cccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)c1 ZINC000856555903 881405406 /nfs/dbraw/zinc/40/54/06/881405406.db2.gz TXSIPNCQWNZJSE-QHCPKHFHSA-N 2 0 381.520 3.751 20 30 GHEDRP Cc1cc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)ccc1C#N ZINC000856558182 881414136 /nfs/dbraw/zinc/41/41/36/881414136.db2.gz CJDSIOVBIOPRAI-QHCPKHFHSA-N 2 0 378.520 3.755 20 30 GHEDRP [NH2+]=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N[C@H]1CCOc2ccccc21 ZINC000262277865 860973241 /nfs/dbraw/zinc/97/32/41/860973241.db2.gz IKGMEERVMRFURS-IRLDBZIGSA-N 2 0 392.547 3.717 20 30 GHEDRP [NH2+]=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N[C@H]1CCOc2ccccc21 ZINC000262277869 860973890 /nfs/dbraw/zinc/97/38/90/860973890.db2.gz IKGMEERVMRFURS-UNMCSNQZSA-N 2 0 392.547 3.717 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(CCC[NH+](CC)CC)CC2)CC1 ZINC000182516957 863260575 /nfs/dbraw/zinc/26/05/75/863260575.db2.gz AZCBMCFGWVVBII-UHFFFAOYSA-N 2 0 378.605 3.571 20 30 GHEDRP C[C@@H]1C[N@@H+](CC2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)C[C@H](C)O1 ZINC000478966535 866932191 /nfs/dbraw/zinc/93/21/91/866932191.db2.gz RPJWLXBRYUGYSI-HDICACEKSA-N 2 0 394.481 3.878 20 30 GHEDRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000525696993 871225220 /nfs/dbraw/zinc/22/52/20/871225220.db2.gz PREYEAKCQDAVQC-UHFFFAOYSA-N 2 0 382.474 3.877 20 30 GHEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC001196055727 872830822 /nfs/dbraw/zinc/83/08/22/872830822.db2.gz GGRHBPPRVOEYNV-NZQKXSOJSA-N 2 0 383.580 3.800 20 30 GHEDRP C=CCC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccco1 ZINC000286178811 912608101 /nfs/dbraw/zinc/60/81/01/912608101.db2.gz QRZUHIQVFSNPBW-NHCUHLMSSA-N 2 0 381.520 3.774 20 30 GHEDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCc4ccc(C#N)cc43)cc2F)CC1 ZINC000810216773 888294480 /nfs/dbraw/zinc/29/44/80/888294480.db2.gz OIZMVMAONQNFOD-JOCHJYFZSA-N 2 0 378.495 3.616 20 30 GHEDRP CC(C)[N@H+](C)CC1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000533408721 890478448 /nfs/dbraw/zinc/47/84/48/890478448.db2.gz FLUDNJUQNICABG-UHFFFAOYSA-N 2 0 376.932 3.592 20 30 GHEDRP CC(C)C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)CC1CC[NH+](C)CC1 ZINC000877767694 893803267 /nfs/dbraw/zinc/80/32/67/893803267.db2.gz UDIFWBRHNHGGQY-UHFFFAOYSA-N 2 0 394.567 3.659 20 30 GHEDRP C[NH+](CCc1ccccn1)Cc1cc(C#N)cc(C[N@H+](C)CCc2ccccn2)c1 ZINC000878308905 894183740 /nfs/dbraw/zinc/18/37/40/894183740.db2.gz IHXSSRMPHQYYCO-UHFFFAOYSA-N 2 0 399.542 3.697 20 30 GHEDRP Cc1cnccc1OC1CCN([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000563782686 894186473 /nfs/dbraw/zinc/18/64/73/894186473.db2.gz HSQAZUFKRLIEOJ-ZUZNIGHFSA-N 2 0 398.551 3.553 20 30 GHEDRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]Cc3cc(C#N)cs3)cc2)C[C@H]1C ZINC000537021902 894226294 /nfs/dbraw/zinc/22/62/94/894226294.db2.gz RDXPZJIEPNNOJY-HDICACEKSA-N 2 0 383.561 3.919 20 30 GHEDRP C=CCC1(O)CC[NH+](CC(C[NH+]2CCC(O)(CC=C)CC2)c2ccccc2)CC1 ZINC000886780484 901271157 /nfs/dbraw/zinc/27/11/57/901271157.db2.gz OYUOJJZALCKAGV-UHFFFAOYSA-N 2 0 398.591 3.576 20 30 GHEDRP C=CCC1(O)CC[NH+](CC(C[NH+]2CCC(O)(CC=C)CC2)C2CCCC2)CC1 ZINC000886780497 901271206 /nfs/dbraw/zinc/27/12/06/901271206.db2.gz PPXXZZRGDLAIER-UHFFFAOYSA-N 2 0 390.612 3.599 20 30 GHEDRP C[C@@H](CCCC#N)[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2ccccn2)C1 ZINC001172497066 905597622 /nfs/dbraw/zinc/59/76/22/905597622.db2.gz XHGDCGOHNSRCQC-ODGPQVTHSA-N 2 0 396.579 3.714 20 30 GHEDRP C[C@H](CCCC#N)[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCc2cccnc2)C1 ZINC001172496346 905598568 /nfs/dbraw/zinc/59/85/68/905598568.db2.gz ZQNVYYLBLSMJMV-FGCOXFRFSA-N 2 0 396.579 3.714 20 30 GHEDRP CCCCCCCC[C@@H](CC)[N@@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001172505084 905601705 /nfs/dbraw/zinc/60/17/05/905601705.db2.gz JRYZRNUCTGXEMT-GOSISDBHSA-N 2 0 392.588 3.853 20 30 GHEDRP C[NH+]1C(C)(C)CC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1(C)C ZINC001172986394 906051869 /nfs/dbraw/zinc/05/18/69/906051869.db2.gz SWRRENOEEFWMKJ-RDJZCZTQSA-N 2 0 378.561 3.519 20 30 GHEDRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000181701378 907058197 /nfs/dbraw/zinc/05/81/97/907058197.db2.gz SOIJKLASHBBYRU-ZWKOTPCHSA-N 2 0 396.510 3.892 20 30 GHEDRP CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H](c1ccc(OC)c(OC)c1)N(C)C ZINC000303782495 915125939 /nfs/dbraw/zinc/12/59/39/915125939.db2.gz NHIZGCBCQHFUDP-IBGZPJMESA-N 2 0 398.551 3.858 20 30 GHEDRP C[C@@H]([NH2+]C(C)(C)CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000304760884 915698873 /nfs/dbraw/zinc/69/88/73/915698873.db2.gz TUTUUEDGJAKZBG-MRXNPFEDSA-N 2 0 382.508 3.704 20 30 GHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](CC)CC2)cc1 ZINC000121391805 918082583 /nfs/dbraw/zinc/08/25/83/918082583.db2.gz SUMOTRANYXVYJB-IEBWSBKVSA-N 2 0 379.976 3.742 20 30 GHEDRP CC1([NH+]2CCCC2)CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000903253544 922884242 /nfs/dbraw/zinc/88/42/42/922884242.db2.gz LPOYWTGUNSMYTR-UHFFFAOYSA-N 2 0 380.580 3.909 20 30 GHEDRP N#CC1(CCCCN2CC[NH2+]CCN(CCCCC3(C#N)CCC3)CC2)CCC1 ZINC000903766775 923267924 /nfs/dbraw/zinc/26/79/24/923267924.db2.gz SGSXONAUALNFPE-UHFFFAOYSA-N 2 0 399.627 3.922 20 30 GHEDRP C=CCc1cccc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)c1O ZINC001138627492 1025127526 /nfs/dbraw/zinc/12/75/26/1025127526.db2.gz JYVYTNPVNHQUEX-UHFFFAOYSA-N 2 0 392.543 3.988 20 30 GHEDRP N#Cc1ccc(Cl)nc1NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162927337 1025970075 /nfs/dbraw/zinc/97/00/75/1025970075.db2.gz ARJNBTUMGRYGGG-LJQANCHMSA-N 2 0 395.938 3.520 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+][C@H]1CC[C@H]([NH3+])C1 ZINC001245990475 1037112437 /nfs/dbraw/zinc/11/24/37/1037112437.db2.gz CYGDFACNOFAUBS-FKBYEOEOSA-N 2 0 386.621 3.771 20 30 GHEDRP Cc1cc(C#N)ccc1C[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccccn3)CO2)CC1 ZINC001233079836 1038849791 /nfs/dbraw/zinc/84/97/91/1038849791.db2.gz OZYJXDRKICAINN-HSZRJFAPSA-N 2 0 390.531 3.517 20 30 GHEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254355998 1040189466 /nfs/dbraw/zinc/18/94/66/1040189466.db2.gz MRZIRNQGJFVJCL-UHFFFAOYSA-N 2 0 388.575 3.735 20 30 GHEDRP CCc1cc(CN2CCc3ccc(OC)cc3C23CC[NH2+]CC3)ccc1C#N ZINC001235023409 1040515995 /nfs/dbraw/zinc/51/59/95/1040515995.db2.gz AIMRXFDDXGDSFV-UHFFFAOYSA-N 2 0 375.516 3.766 20 30 GHEDRP N#Cc1ccc2nc(C[NH+]3CCC4(CC[N@H+](Cc5cccs5)C4)CC3)cn2c1 ZINC001237605733 1042278676 /nfs/dbraw/zinc/27/86/76/1042278676.db2.gz JIFKJCJMKGMDPT-UHFFFAOYSA-N 2 0 391.544 3.756 20 30 GHEDRP CC(C)(C)OC(=O)N[C@H](CCC[NH3+])[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257012447 1043799461 /nfs/dbraw/zinc/79/94/61/1043799461.db2.gz GHBZXGOLCXGWOI-SOAGJPPSSA-N 2 0 386.540 3.764 20 30 GHEDRP C[C@@H]1C[C@H](CC[NH2+]CCC(=O)Nc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC001261436925 1045998324 /nfs/dbraw/zinc/99/83/24/1045998324.db2.gz OWLUYJHSEHFHPQ-KNQAVFIVSA-N 2 0 390.531 3.777 20 30 GHEDRP Cn1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccsc4Cl)C[C@H]3CC2)cc1C#N ZINC001279692877 1047918075 /nfs/dbraw/zinc/91/80/75/1047918075.db2.gz PCZWHCUYWDMCAG-CALCHBBNSA-N 2 0 388.968 3.956 20 30 GHEDRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2csc(C#N)c2)CC1 ZINC001200590714 1056421489 /nfs/dbraw/zinc/42/14/89/1056421489.db2.gz OBQAGENUICLWCE-UHFFFAOYSA-N 2 0 394.466 3.680 20 30 GHEDRP COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1C#N ZINC001474294525 1074329020 /nfs/dbraw/zinc/32/90/20/1074329020.db2.gz PXQFBLKYHUXMGE-AKIFATBCSA-N 2 0 375.516 3.957 20 30 GHEDRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000610271175 837294859 /nfs/dbraw/zinc/29/48/59/837294859.db2.gz CRTSUZJTMZMSID-UHFFFAOYSA-N 2 0 388.437 3.619 20 30 GHEDRP C[NH2+]CCNc1ccc(/C=[NH+]\CC/N=C\c2ccc(Br)cc2)cc1 ZINC001167726169 838344404 /nfs/dbraw/zinc/34/44/04/838344404.db2.gz UVJMFIQZKOAFIX-VMTNTFKOSA-N 2 0 387.325 3.618 20 30 GHEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(N(Cc2ccccc2)C2(C[NH3+])COC2)cc1 ZINC001167378614 839255302 /nfs/dbraw/zinc/25/53/02/839255302.db2.gz XLQKAUIZWZKVJF-HSZRJFAPSA-N 2 0 377.532 3.744 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000509727148 840118430 /nfs/dbraw/zinc/11/84/30/840118430.db2.gz DFJGHUILOKOYPR-IFMALSPDSA-N 2 0 398.595 3.627 20 30 GHEDRP CCCc1ccc(C(=O)C(C(=S)NC2CC[NH+](C)CC2)[n+]2ccccc2)cc1 ZINC000280639471 846481554 /nfs/dbraw/zinc/48/15/54/846481554.db2.gz UTGXUTBIPMBQSP-UHFFFAOYSA-O 2 0 396.580 3.549 20 30 GHEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)C(C)C ZINC000503441427 847697202 /nfs/dbraw/zinc/69/72/02/847697202.db2.gz XLVNOAJZPKVIJY-QHCPKHFHSA-N 2 0 398.595 3.603 20 30 GHEDRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CC[NH2+]CC1 ZINC000423015891 847938656 /nfs/dbraw/zinc/93/86/56/847938656.db2.gz LRZPOJAWXKRZPW-GOSISDBHSA-N 2 0 391.515 3.636 20 30 GHEDRP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)C[C@H](C)O1 ZINC000439461623 853692080 /nfs/dbraw/zinc/69/20/80/853692080.db2.gz LMJVPMVRYHVGDT-IRXDYDNUSA-N 2 0 375.944 3.923 20 30 GHEDRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCCCc4cc(C#N)ccc43)cc2)CC1 ZINC000481928326 862533912 /nfs/dbraw/zinc/53/39/12/862533912.db2.gz QZWZRLOOGIEBDE-VWLOTQADSA-N 2 0 388.559 3.863 20 30 GHEDRP C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc(C#N)c(N[C@@H]3CCC[C@H]([NH+](C)C)C3)n2)C1 ZINC000302889328 855959442 /nfs/dbraw/zinc/95/94/42/855959442.db2.gz OVUYNTUXMRKQQE-NMLBUPMWSA-N 2 0 384.572 3.523 20 30 GHEDRP N#C[C@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000442705457 858064449 /nfs/dbraw/zinc/06/44/49/858064449.db2.gz BIDXVZDYTYWKEU-PKOBYXMFSA-N 2 0 394.485 3.889 20 30 GHEDRP N#CC1(c2ccc(C[NH2+]CCCC[NH+]3CCN(c4ccccc4)CC3)cc2)CC1 ZINC000594925124 858306120 /nfs/dbraw/zinc/30/61/20/858306120.db2.gz KTSKYNUZCIHSNW-UHFFFAOYSA-N 2 0 388.559 3.934 20 30 GHEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000595066807 858370109 /nfs/dbraw/zinc/37/01/09/858370109.db2.gz FGLUBOWJUYRWKP-LADGPHEKSA-N 2 0 375.516 3.682 20 30 GHEDRP C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CN1Cc1ccccc1 ZINC000593693109 860867341 /nfs/dbraw/zinc/86/73/41/860867341.db2.gz PHDQZSABEKSERE-NBGIEHNGSA-N 2 0 388.559 3.775 20 30 GHEDRP N#CCCCOc1cccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000175017705 865965011 /nfs/dbraw/zinc/96/50/11/865965011.db2.gz UUYIHUXLZBCMCX-UHFFFAOYSA-N 2 0 393.531 3.616 20 30 GHEDRP CC[N@H+](CCC1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1)CC(C)C ZINC000540195814 870733802 /nfs/dbraw/zinc/73/38/02/870733802.db2.gz HPFQRLIWMHIXDC-QHCPKHFHSA-N 2 0 396.579 3.744 20 30 GHEDRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccc(OCC#N)cc1 ZINC000181478230 871053384 /nfs/dbraw/zinc/05/33/84/871053384.db2.gz YRVKFOBHQVUIQZ-HYBUGGRVSA-N 2 0 392.547 3.618 20 30 GHEDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000478054773 872390987 /nfs/dbraw/zinc/39/09/87/872390987.db2.gz SFVAFNGXVCCOBB-LJQANCHMSA-N 2 0 382.552 3.863 20 30 GHEDRP CC(C)[C@@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCC(C)CC1 ZINC000538397809 879419655 /nfs/dbraw/zinc/41/96/55/879419655.db2.gz BUWJNRPRRHXISY-XMMPIXPASA-N 2 0 382.596 3.869 20 30 GHEDRP Cc1c(Cl)cnc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)c1C#N ZINC001170526368 885492826 /nfs/dbraw/zinc/49/28/26/885492826.db2.gz TXVGUXFKKBNVDQ-UHFFFAOYSA-N 2 0 393.922 3.825 20 30 GHEDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)CC1 ZINC000532567555 886123067 /nfs/dbraw/zinc/12/30/67/886123067.db2.gz YDXFSIRDZDSGCM-XMMPIXPASA-N 2 0 388.559 3.826 20 30 GHEDRP CC(C)(C)OC(=O)N1CC[NH+](C2CCC([NH2+][C@@H]3CCC[C@@H](C#N)C3)CC2)CC1 ZINC000812744905 890927933 /nfs/dbraw/zinc/92/79/33/890927933.db2.gz MTIKNCJMKKTSPE-ADEKHHIBSA-N 2 0 390.572 3.522 20 30 GHEDRP [NH2+]=C(Nc1ccc2c(c1)CCC2)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000262499921 892287288 /nfs/dbraw/zinc/28/72/88/892287288.db2.gz XYYLCACANAQAAQ-UHFFFAOYSA-N 2 0 380.458 3.707 20 30 GHEDRP COC1(C)CC[NH+](Cc2cc(C#N)cc(C[NH+]3CCC(C)(OC)CC3)c2)CC1 ZINC000878375140 894242373 /nfs/dbraw/zinc/24/23/73/894242373.db2.gz XFISPTXWTCKBBF-UHFFFAOYSA-N 2 0 385.552 3.560 20 30 GHEDRP C=CCc1cc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc(OC)c1OC ZINC000817908585 895958047 /nfs/dbraw/zinc/95/80/47/895958047.db2.gz GTVFZNKPUDWSEY-RDPSFJRHSA-N 2 0 394.515 3.778 20 30 GHEDRP C=CCOc1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cc1Cl ZINC000566037526 896062739 /nfs/dbraw/zinc/06/27/39/896062739.db2.gz FDNCPAOUGBGOQV-UHFFFAOYSA-N 2 0 391.987 3.754 20 30 GHEDRP N#Cc1ccc([C@H](O)C[NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000819047971 896339458 /nfs/dbraw/zinc/33/94/58/896339458.db2.gz FBYHPVMWYDPNRT-RUZDIDTESA-N 2 0 391.559 3.916 20 30 GHEDRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000819100715 896376209 /nfs/dbraw/zinc/37/62/09/896376209.db2.gz REUMGXHHJKARFY-HSZRJFAPSA-N 2 0 375.472 3.606 20 30 GHEDRP CC(C)c1ccc(C(=O)C(C(=S)NC2CC[NH+](C)CC2)[n+]2ccccc2)cc1 ZINC000063441591 900950411 /nfs/dbraw/zinc/95/04/11/900950411.db2.gz GVPSCIASBKYHAU-UHFFFAOYSA-O 2 0 396.580 3.720 20 30 GHEDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCCc4cc(C#N)ccc43)cn2)CC1 ZINC000578271802 903677432 /nfs/dbraw/zinc/67/74/32/903677432.db2.gz HOIDNELXICYZIY-QHCPKHFHSA-N 2 0 389.547 3.652 20 30 GHEDRP CC(C)(C)C[NH+]1CCC(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172973912 906038410 /nfs/dbraw/zinc/03/84/10/906038410.db2.gz JDBYBIQYKWWSNU-MOPGFXCFSA-N 2 0 392.588 3.626 20 30 GHEDRP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](C1CCC(C)(C#N)CC1)CC2 ZINC001173595561 906548825 /nfs/dbraw/zinc/54/88/25/906548825.db2.gz RLVKWZCJJVYDJC-KOENEWCDSA-N 2 0 396.579 3.857 20 30 GHEDRP Cn1cc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180036724 906672170 /nfs/dbraw/zinc/67/21/70/906672170.db2.gz VIVCPRGSWKDKAJ-UHFFFAOYSA-N 2 0 385.515 3.844 20 30 GHEDRP CC[NH+]1CCN([C@H](C)C[NH+]=C(NCc2ccc(C)cc2)Nc2ccccc2)CC1 ZINC000303873809 915233850 /nfs/dbraw/zinc/23/38/50/915233850.db2.gz CTWVPHNPAJMKBE-OAQYLSRUSA-N 2 0 393.579 3.579 20 30 GHEDRP C[C@H]1C[NH+](CCCNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)C[C@H](C)O1 ZINC000304493445 915525104 /nfs/dbraw/zinc/52/51/04/915525104.db2.gz OQUXPORTSRSXDV-ROUUACIJSA-N 2 0 382.508 3.705 20 30 GHEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])N2CCCCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000304758239 915673945 /nfs/dbraw/zinc/67/39/45/915673945.db2.gz PSNLVUCEIPDXKY-SJLPKXTDSA-N 2 0 382.474 3.889 20 30 GHEDRP C=C(C)CN(Cc1ccc(CO)o1)Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000558413234 931987504 /nfs/dbraw/zinc/98/75/04/931987504.db2.gz GZYXTYDIKBBQAD-UHFFFAOYSA-N 2 0 397.563 3.882 20 30 GHEDRP CCc1cccc(NC(=[NH2+])NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c1 ZINC000304750320 1021154514 /nfs/dbraw/zinc/15/45/14/1021154514.db2.gz IGJIWZISNWTBAI-GOSISDBHSA-N 2 0 380.536 3.876 20 30 GHEDRP C#CCOc1ccc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)cc1OC ZINC001138347690 1024710639 /nfs/dbraw/zinc/71/06/39/1024710639.db2.gz DDZVWJLTDHCBET-UHFFFAOYSA-N 2 0 390.527 3.805 20 30 GHEDRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC(c4ccc(C#N)cc4)CC3)c2)CC1 ZINC001156766447 1033230403 /nfs/dbraw/zinc/23/04/03/1033230403.db2.gz ZPNMLELIAZRPLZ-UHFFFAOYSA-N 2 0 376.504 3.810 20 30 GHEDRP C=CCc1cccc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccco4)CO3)CC2)c1O ZINC001138627136 1025125517 /nfs/dbraw/zinc/12/55/17/1025125517.db2.gz XUGFWMQBNOFACN-OAQYLSRUSA-N 2 0 396.531 3.969 20 30 GHEDRP C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207289857 1034241021 /nfs/dbraw/zinc/24/10/21/1034241021.db2.gz XYGFCWQHTYHUPE-DQEYMECFSA-N 2 0 398.591 3.972 20 30 GHEDRP N#Cc1cnc(Cl)cc1-n1cc(CC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC001159459979 1034606332 /nfs/dbraw/zinc/60/63/32/1034606332.db2.gz JEIGPRQYDFLOAB-UHFFFAOYSA-N 2 0 379.895 3.516 20 30 GHEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CC[C@H](C)CCCC(C)(C)OC)CC1 ZINC001208212544 1034803633 /nfs/dbraw/zinc/80/36/33/1034803633.db2.gz JUBNPTIRNPRCPZ-JOCHJYFZSA-N 2 0 379.633 3.900 20 30 GHEDRP C[N@H+](Cc1ccc(NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nc1)C1CC1 ZINC001160107367 1034863367 /nfs/dbraw/zinc/86/33/67/1034863367.db2.gz LKMLCLLSGMQDMK-UHFFFAOYSA-N 2 0 375.520 3.646 20 30 GHEDRP N#Cc1cccc(Oc2nc(Cl)ncc2-n2cc(CC[NH3+])c3c[nH+]ccc32)c1 ZINC001160952057 1035103514 /nfs/dbraw/zinc/10/35/14/1035103514.db2.gz PNEPBYIABKJRKA-UHFFFAOYSA-N 2 0 390.834 3.634 20 30 GHEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CCCCCCCCCC(=O)OC)CC1 ZINC001209097225 1035172551 /nfs/dbraw/zinc/17/25/51/1035172551.db2.gz UULWBYNWYVWNSB-UHFFFAOYSA-N 2 0 393.616 3.572 20 30 GHEDRP CCCCCCCCCCCC[C@H](O)C[NH2+]C[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001245978708 1037104185 /nfs/dbraw/zinc/10/41/85/1037104185.db2.gz PGACPTRBZKOWLJ-RJGXRXQPSA-N 2 0 398.632 3.643 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]CCCC[NH2+]C ZINC001245986636 1037110036 /nfs/dbraw/zinc/11/00/36/1037110036.db2.gz YDXSZDBZSLNAIU-JOCHJYFZSA-N 2 0 388.637 3.891 20 30 GHEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@@H](C)CC(C)(C)SCc1ccco1 ZINC001246306618 1037286227 /nfs/dbraw/zinc/28/62/27/1037286227.db2.gz XCZLEROMHHXEFX-WMZOPIPTSA-N 2 0 382.570 3.886 20 30 GHEDRP CN(CCC#N)c1ccc(C[N@@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)cc1 ZINC001235375382 1040885852 /nfs/dbraw/zinc/88/58/52/1040885852.db2.gz ZNURZLSCNDLTRS-ZCYQVOJMSA-N 2 0 388.559 3.790 20 30 GHEDRP C=C1C[C@@H]2CC([N@@H+]3CC[C@@H]4C[NH+](Cc5cccnc5)CCO[C@@H]4C3)C[C@H](C1)C2 ZINC001257893075 1044248566 /nfs/dbraw/zinc/24/85/66/1044248566.db2.gz LZMJZPTZYKITIB-ZVFPPSPPSA-N 2 0 381.564 3.739 20 30 GHEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COCc2ccccn2)C1 ZINC001258728951 1044735622 /nfs/dbraw/zinc/73/56/22/1044735622.db2.gz RVXTXJATEAHIOW-KIFXHHALSA-N 2 0 383.580 3.987 20 30 GHEDRP COc1cc(C[NH2+][C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1C#N ZINC001308548470 1050005164 /nfs/dbraw/zinc/00/51/64/1050005164.db2.gz VKKULBMZYRFWEL-VJBWXMMDSA-N 2 0 375.516 3.957 20 30 GHEDRP C[NH+]1CCN(Cc2cccc(C[NH2+][C@@H]3CCCCc4cc(C#N)ccc43)c2)CC1 ZINC001322475773 1056721874 /nfs/dbraw/zinc/72/18/74/1056721874.db2.gz NCJGQOJAIZSQLT-RUZDIDTESA-N 2 0 388.559 3.863 20 30 GHEDRP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391910 835669248 /nfs/dbraw/zinc/66/92/48/835669248.db2.gz QYNNAEPFKFVZSQ-GOSISDBHSA-N 2 0 391.519 3.519 20 30 GHEDRP C[NH+]1CCN(C[C@@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)c2ccccc2)CC1 ZINC000579905659 837187095 /nfs/dbraw/zinc/18/70/95/837187095.db2.gz RQECPDHKFHKAJC-LOSJGSFVSA-N 2 0 388.559 3.904 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000509727154 840117749 /nfs/dbraw/zinc/11/77/49/840117749.db2.gz DFJGHUILOKOYPR-IRLDBZIGSA-N 2 0 398.595 3.627 20 30 GHEDRP C=CC[C@]1(C(=O)NC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)CCC[NH2+]1 ZINC000662796439 841641156 /nfs/dbraw/zinc/64/11/56/841641156.db2.gz KYIZUNZXASRCPH-HXUWFJFHSA-N 2 0 396.362 3.772 20 30 GHEDRP C[C@@H]1CN(Cc2cccc(C[NH2+]Cc3ccc(C(C)(C)C#N)cc3)c2)CCO1 ZINC000594495586 841708340 /nfs/dbraw/zinc/70/83/40/841708340.db2.gz CJHRUXOKBSRDDZ-LJQANCHMSA-N 2 0 377.532 3.998 20 30 GHEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423541340 849974161 /nfs/dbraw/zinc/97/41/61/849974161.db2.gz ARKSCPYKJWOMGG-XMMPIXPASA-N 2 0 388.559 3.909 20 30 GHEDRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000328886449 854597056 /nfs/dbraw/zinc/59/70/56/854597056.db2.gz OWPNAVCTGNRHDE-DNDRQTMDSA-N 2 0 392.588 3.671 20 30 GHEDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000330218080 862669783 /nfs/dbraw/zinc/66/97/83/862669783.db2.gz OJDTUUZCFLEUMK-YLJYHZDGSA-N 2 0 386.584 3.710 20 30 GHEDRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)C(=O)Nc1ccccc1C#N ZINC000056155031 855483057 /nfs/dbraw/zinc/48/30/57/855483057.db2.gz QWSPUCPRVOJNNW-IBGZPJMESA-N 2 0 390.531 3.907 20 30 GHEDRP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057843858 855739221 /nfs/dbraw/zinc/73/92/21/855739221.db2.gz WASVOVSNGHIUAQ-HXUWFJFHSA-N 2 0 396.579 3.562 20 30 GHEDRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(C(C)(C)C#N)cc3)cc2)CC1 ZINC000594495861 858191305 /nfs/dbraw/zinc/19/13/05/858191305.db2.gz UBBONZKGXHZVOW-UHFFFAOYSA-N 2 0 376.548 3.525 20 30 GHEDRP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158858340 858413189 /nfs/dbraw/zinc/41/31/89/858413189.db2.gz ZWHJLBAPCJBKHI-UXHICEINSA-N 2 0 388.600 3.694 20 30 GHEDRP C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CN1Cc1ccccc1 ZINC000593693110 860867429 /nfs/dbraw/zinc/86/74/29/860867429.db2.gz PHDQZSABEKSERE-NLFFAJNJSA-N 2 0 388.559 3.775 20 30 GHEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)CC[C@@H]([NH3+])CC3CCCCC3)CC2)c1 ZINC000593918689 863339159 /nfs/dbraw/zinc/33/91/59/863339159.db2.gz FXQBFQPHZQCNDB-JOCHJYFZSA-N 2 0 396.579 3.717 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)Nc2nc3ccc(C[N@@H+](C)C4CC4)cc3s2)CC1 ZINC000667610477 863949522 /nfs/dbraw/zinc/94/95/22/863949522.db2.gz GBAZFCJNLLAKGB-UHFFFAOYSA-N 2 0 399.564 3.662 20 30 GHEDRP CCCC[N@H+](C)CC1CC[NH+](Cn2c(C)nnc2-c2cccc(C#N)c2)CC1 ZINC000739858735 865802930 /nfs/dbraw/zinc/80/29/30/865802930.db2.gz QEVIACURLVHWCN-UHFFFAOYSA-N 2 0 380.540 3.527 20 30 GHEDRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000304475368 866498180 /nfs/dbraw/zinc/49/81/80/866498180.db2.gz HBWABCYQGOLGCK-AVRDEDQJSA-N 2 0 392.547 3.989 20 30 GHEDRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000181585927 871234219 /nfs/dbraw/zinc/23/42/19/871234219.db2.gz GFFZOWHIFFPFTP-NRFANRHFSA-N 2 0 392.547 3.842 20 30 GHEDRP COc1cc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)ccc1CC#N ZINC001170528800 885577868 /nfs/dbraw/zinc/57/78/68/885577868.db2.gz WICZBPRGOYVYJJ-UHFFFAOYSA-N 2 0 388.515 3.671 20 30 GHEDRP CC[N@H+](CCC1CCN(CC(=O)Nc2oc(C)c(C)c2C#N)CC1)CC1CC1 ZINC000536736869 893701049 /nfs/dbraw/zinc/70/10/49/893701049.db2.gz FOOCAANSFZMCPN-UHFFFAOYSA-N 2 0 386.540 3.541 20 30 GHEDRP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccc(C#N)cn2)CC3)c1 ZINC001144157795 901167618 /nfs/dbraw/zinc/16/76/18/901167618.db2.gz XCOQUGVHJJOJRM-UHFFFAOYSA-N 2 0 390.531 3.840 20 30 GHEDRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCC(=O)Nc3ccccc3C#N)C2)s1 ZINC000575806003 901323626 /nfs/dbraw/zinc/32/36/26/901323626.db2.gz PYECRONUKRDGGQ-SFHVURJKSA-N 2 0 396.560 3.711 20 30 GHEDRP C=CCOCc1nn([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c2c1C[NH2+]C2 ZINC001172073392 905277451 /nfs/dbraw/zinc/27/74/51/905277451.db2.gz VXJYMNWDBUXEOC-AERCQKQUSA-N 2 0 392.547 3.947 20 30 GHEDRP CC(C)C[N@H+]([C@H]1CC[C@H]([NH3+])CC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172978485 906046357 /nfs/dbraw/zinc/04/63/57/906046357.db2.gz QTKVGOVEEPQAMK-VJANTYMQSA-N 2 0 378.561 3.506 20 30 GHEDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181518540 907018601 /nfs/dbraw/zinc/01/86/01/907018601.db2.gz MUHIXHAKHMYJDO-FQEVSTJZSA-N 2 0 392.547 3.577 20 30 GHEDRP C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(OCC#N)cc1 ZINC000181701399 907057912 /nfs/dbraw/zinc/05/79/12/907057912.db2.gz SOIJKLASHBBYRU-QZTJIDSGSA-N 2 0 396.510 3.892 20 30 GHEDRP CCN1CC[NH+](CCCCNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)CC1 ZINC000266998672 909362126 /nfs/dbraw/zinc/36/21/26/909362126.db2.gz ZGBJNGNKXQSUQB-UHFFFAOYSA-N 2 0 395.551 3.623 20 30 GHEDRP C[N@@H+]1CC[C@H](CNC(=[NH2+])NCCc2cccs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000305711962 916249357 /nfs/dbraw/zinc/24/93/57/916249357.db2.gz YBXYQYMUUOMOOE-RDTXWAMCSA-N 2 0 394.947 3.680 20 30 GHEDRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000924753401 931525685 /nfs/dbraw/zinc/52/56/85/931525685.db2.gz PFZDPJYKBQRIEL-RBUKOAKNSA-N 2 0 392.588 3.627 20 30 GHEDRP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000926573904 932231564 /nfs/dbraw/zinc/23/15/64/932231564.db2.gz QKWUVXUTJAXMHK-MOPGFXCFSA-N 2 0 392.588 3.627 20 30 GHEDRP C#CC[NH+]1CCC(C(=O)Nc2ccc(C[NH+]3CCCC3)c(C(F)(F)F)c2)CC1 ZINC001154746714 1032267957 /nfs/dbraw/zinc/26/79/57/1032267957.db2.gz CSWOBVKHEZNEPU-UHFFFAOYSA-N 2 0 393.453 3.585 20 30 GHEDRP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)cc1 ZINC001204270131 1032713294 /nfs/dbraw/zinc/71/32/94/1032713294.db2.gz PVDYBHIYPCJQBE-XMMPIXPASA-N 2 0 393.531 3.932 20 30 GHEDRP COC[C@H]1CC2(CN1Cc1nccs1)CC[NH+](Cc1ccccc1C#N)CC2 ZINC001204367684 1032809835 /nfs/dbraw/zinc/80/98/35/1032809835.db2.gz OYJZLZAXDMPMCR-HXUWFJFHSA-N 2 0 396.560 3.518 20 30 GHEDRP Cc1nc(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)c(Cl)cc1C#N ZINC001159467016 1034609587 /nfs/dbraw/zinc/60/95/87/1034609587.db2.gz KSGPFMOGRLWYJT-UHFFFAOYSA-N 2 0 393.922 3.825 20 30 GHEDRP N#CC1(Nc2ccc(C[NH+]3CCCC3)cn2)CC[NH+](Cc2ccccc2)CC1 ZINC001160107385 1034863708 /nfs/dbraw/zinc/86/37/08/1034863708.db2.gz MJSQUJWNXYIVCJ-UHFFFAOYSA-N 2 0 375.520 3.648 20 30 GHEDRP N#Cc1ccc(Oc2nc(Cl)ncc2-n2cc(CC[NH3+])c3c[nH+]ccc32)cc1 ZINC001160952395 1035104576 /nfs/dbraw/zinc/10/45/76/1035104576.db2.gz ZBDPGLBRWZXUCE-UHFFFAOYSA-N 2 0 390.834 3.634 20 30 GHEDRP C=CCCCC[NH+]1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001209201172 1035206673 /nfs/dbraw/zinc/20/66/73/1035206673.db2.gz WCDMDFSAJYRWJE-OAQYLSRUSA-N 2 0 397.607 3.932 20 30 GHEDRP C=CCOC(=O)N1CCC2(CC1)CC[NH+](C1CCC3(CCC[NH2+]C3)CC1)CC2 ZINC001246527683 1037460832 /nfs/dbraw/zinc/46/08/32/1037460832.db2.gz VPSVEIKUSCDTFQ-UHFFFAOYSA-N 2 0 389.584 3.799 20 30 GHEDRP C=CCN1CC[C@@]2(C[N@H+]([C@@H]3CC[NH2+][C@@H](C(C)(C)C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246705952 1037558240 /nfs/dbraw/zinc/55/82/40/1037558240.db2.gz ZKNCRDRTAWUGDV-XAISMOLKSA-N 2 0 395.591 3.657 20 30 GHEDRP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)s1)CC2 ZINC001232843494 1038594697 /nfs/dbraw/zinc/59/46/97/1038594697.db2.gz YXPPCVUMITXLNQ-LJQANCHMSA-N 2 0 381.545 3.875 20 30 GHEDRP C=CCOc1ccccc1[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254051569 1039976716 /nfs/dbraw/zinc/97/67/16/1039976716.db2.gz RFKPRVUXUMJSRO-FQEVSTJZSA-N 2 0 380.532 3.929 20 30 GHEDRP N#Cc1cc(-c2cccc(C[NH+]3CCCCC3)c2F)ccc1N1CC[NH2+]CC1 ZINC001236012699 1041506275 /nfs/dbraw/zinc/50/62/75/1041506275.db2.gz SKQPVOGMRSDNQF-UHFFFAOYSA-N 2 0 378.495 3.760 20 30 GHEDRP CC(C)(C)[C@]1(C[NH2+]CCNc2ncccc2C#N)CC[N@H+](Cc2ccccc2)C1 ZINC001462685834 1070469702 /nfs/dbraw/zinc/46/97/02/1070469702.db2.gz JJGVGFIJQSPYSN-DEOSSOPVSA-N 2 0 391.563 3.893 20 30 GHEDRP C=CCC[C@@H](C)[NH+]1CCC2(C[C@@H](CC(=O)NCC[NH+](C)C)c3ccccc32)CC1 ZINC001258728498 1044734426 /nfs/dbraw/zinc/73/44/26/1044734426.db2.gz NXZDMFIKPZCOSP-NHCUHLMSSA-N 2 0 397.607 3.930 20 30 GHEDRP N#CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001342063146 1061034939 /nfs/dbraw/zinc/03/49/39/1061034939.db2.gz LOUUFPZEYNUQGJ-GMKZXUHWSA-N 2 0 375.516 3.979 20 30 GHEDRP C=CCOc1cccc(C[NH2+]Cc2ccc(CN3CC[NH+](CC)CC3)cc2)c1 ZINC001473935592 1074210827 /nfs/dbraw/zinc/21/08/27/1074210827.db2.gz LWIGYNFOIUFWRL-UHFFFAOYSA-N 2 0 379.548 3.679 20 30 GHEDRP CN(C)c1ccc(C#N)cc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC001474342936 1074353210 /nfs/dbraw/zinc/35/32/10/1074353210.db2.gz HVLZRKLMYCXTOL-UHFFFAOYSA-N 2 0 376.548 3.968 20 30 GHEDRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3ccc(C#N)cc3F)cc2)CC1 ZINC000512668109 844974856 /nfs/dbraw/zinc/97/48/56/844974856.db2.gz SVIZFOMOAITFMU-GOSISDBHSA-N 2 0 380.511 3.686 20 30 GHEDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000151171319 847476185 /nfs/dbraw/zinc/47/61/85/847476185.db2.gz LOKSCHPFUFWZNM-LJQANCHMSA-N 2 0 382.552 3.863 20 30 GHEDRP C[NH+]1CCN(C(=[NH2+])Nc2ccc(N=C(c3ccccc3)c3ccccc3)nc2)CC1 ZINC001168746139 861965989 /nfs/dbraw/zinc/96/59/89/861965989.db2.gz DITPXBUWEHIPQT-UHFFFAOYSA-N 2 0 398.514 3.845 20 30 GHEDRP C=CCc1cc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc(OC)c1O ZINC000415012464 851127263 /nfs/dbraw/zinc/12/72/63/851127263.db2.gz XHKIOLXFGVPCRV-PZJWPPBQSA-N 2 0 384.495 3.751 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1OC ZINC000414909277 853301178 /nfs/dbraw/zinc/30/11/78/853301178.db2.gz RKTBSLINPPSAIC-GOSISDBHSA-N 2 0 383.330 3.502 20 30 GHEDRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)C(=O)Nc1ccccc1C#N ZINC000056155032 855483135 /nfs/dbraw/zinc/48/31/35/855483135.db2.gz QWSPUCPRVOJNNW-LJQANCHMSA-N 2 0 390.531 3.907 20 30 GHEDRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000184745779 855726251 /nfs/dbraw/zinc/72/62/51/855726251.db2.gz ICLYIPJMEOCMCU-OALUTQOASA-N 2 0 390.531 3.633 20 30 GHEDRP N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)nc1 ZINC000591037629 855731065 /nfs/dbraw/zinc/73/10/65/855731065.db2.gz DECDJQUBOZGYMS-QFIPXVFZSA-N 2 0 376.504 3.592 20 30 GHEDRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CCc4ccc(C#N)cc43)cc2)C[C@@H](C)O1 ZINC000573292282 856014902 /nfs/dbraw/zinc/01/49/02/856014902.db2.gz XHGGZVQSAJIVRM-QZTZHPFYSA-N 2 0 375.516 3.945 20 30 GHEDRP C=CC[C@H]1N(C(=O)C2CC[NH+](C3CCN(CC)CC3)CC2)CCCC1(C)C ZINC000574098953 857244966 /nfs/dbraw/zinc/24/49/66/857244966.db2.gz SGUZPNOCJLFZTQ-OAQYLSRUSA-N 2 0 375.601 3.776 20 30 GHEDRP C[NH+]=C(NCc1sc(C)nc1C)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000262362143 863249672 /nfs/dbraw/zinc/24/96/72/863249672.db2.gz GZHJCTMWPALSDA-YJBOKZPZSA-N 2 0 391.610 3.570 20 30 GHEDRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])NCCc2cccs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000305711958 866627938 /nfs/dbraw/zinc/62/79/38/866627938.db2.gz YBXYQYMUUOMOOE-KSSFIOAISA-N 2 0 394.947 3.680 20 30 GHEDRP C=CCOc1ccccc1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000538723869 870519510 /nfs/dbraw/zinc/51/95/10/870519510.db2.gz DVYITPWXZYHPNC-UHFFFAOYSA-N 2 0 385.596 3.880 20 30 GHEDRP CC[N@H+](CCC1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1)CC(C)C ZINC000539098819 871308776 /nfs/dbraw/zinc/30/87/76/871308776.db2.gz XXVVWSPSQGOVKL-UHFFFAOYSA-N 2 0 384.568 3.967 20 30 GHEDRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000541389855 873462678 /nfs/dbraw/zinc/46/26/78/873462678.db2.gz NFDZAVQNIVHNSO-UHFFFAOYSA-N 2 0 387.487 3.927 20 30 GHEDRP CCCCCCCCCN1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001201839332 875899748 /nfs/dbraw/zinc/89/97/48/875899748.db2.gz LPLNUPZQEYEVPD-OAQYLSRUSA-N 2 0 391.604 3.577 20 30 GHEDRP N#Cc1ccc([C@@H](O)C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000762927405 887116122 /nfs/dbraw/zinc/11/61/22/887116122.db2.gz SDDLCHCVLJEXHM-QHCPKHFHSA-N 2 0 375.516 3.580 20 30 GHEDRP CC(C)(C)OC(=O)N1CC[NH+](C2CCC([NH2+][C@@H]3CCC[C@H](C#N)C3)CC2)CC1 ZINC000812744907 890927840 /nfs/dbraw/zinc/92/78/40/890927840.db2.gz MTIKNCJMKKTSPE-LHQJTOJGSA-N 2 0 390.572 3.522 20 30 GHEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccccn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000262544890 892295687 /nfs/dbraw/zinc/29/56/87/892295687.db2.gz UOUJREQZNZZKOS-QAPCUYQASA-N 2 0 391.441 3.910 20 30 GHEDRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccccn2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000262544892 892295989 /nfs/dbraw/zinc/29/59/89/892295989.db2.gz UOUJREQZNZZKOS-YJBOKZPZSA-N 2 0 391.441 3.910 20 30 GHEDRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCC(=O)Nc3ccccc3C#N)C2)s1 ZINC000575805983 901320710 /nfs/dbraw/zinc/32/07/10/901320710.db2.gz PYECRONUKRDGGQ-GOSISDBHSA-N 2 0 396.560 3.711 20 30 GHEDRP [NH2+]=C(Nc1ccc([C@@]23CC[NH2+][C@@H]2COCC3)cc1)c1ccc2cc(O)ccc2c1 ZINC001171185326 902208816 /nfs/dbraw/zinc/20/88/16/902208816.db2.gz UYKPBQTZRKEQBY-VWNXMTODSA-N 2 0 387.483 3.602 20 30 GHEDRP N#CC1(c2cccnc2NC[C@@H]2CCCC[NH2+]2)CC[NH+](Cc2ccccc2)CC1 ZINC001171327660 904020145 /nfs/dbraw/zinc/02/01/45/904020145.db2.gz IFQVUDSULMMJAA-NRFANRHFSA-N 2 0 389.547 3.693 20 30 GHEDRP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(OCC#N)cc1 ZINC000181701358 907057420 /nfs/dbraw/zinc/05/74/20/907057420.db2.gz SOIJKLASHBBYRU-MSOLQXFVSA-N 2 0 396.510 3.892 20 30 GHEDRP C[C@@H](NC(=[NH2+])NCC1([NH+]2CCCC2)CCOCC1)c1ccc(Cl)cc1Cl ZINC000304757980 915673771 /nfs/dbraw/zinc/67/37/71/915673771.db2.gz PMDLATGJTPAWON-CQSZACIVSA-N 2 0 399.366 3.604 20 30 GHEDRP CCc1ccc(NC(=[NH2+])NCCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000305759348 916333628 /nfs/dbraw/zinc/33/36/28/916333628.db2.gz CTJYSHUKDJJRTM-UHFFFAOYSA-N 2 0 380.536 3.693 20 30 GHEDRP C=C(C)c1cccc(C(C)(C)NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC001189264002 916524444 /nfs/dbraw/zinc/52/44/44/916524444.db2.gz PIZJQXLOVCXFHX-UHFFFAOYSA-N 2 0 388.600 3.870 20 30 GHEDRP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000926573907 932231711 /nfs/dbraw/zinc/23/17/11/932231711.db2.gz QKWUVXUTJAXMHK-RTBURBONSA-N 2 0 392.588 3.627 20 30 GHEDRP C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000926606329 932244911 /nfs/dbraw/zinc/24/49/11/932244911.db2.gz JCGDLYPKCYAOQG-VIQWUECVSA-N 2 0 392.588 3.768 20 30 GHEDRP C[C@H]([NH2+]CC#CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000830172553 935908945 /nfs/dbraw/zinc/90/89/45/935908945.db2.gz DPVIRZRJMTZYFK-HOTGVXAUSA-N 2 0 382.420 3.508 20 30 GHEDRP C=CCCCCC[C@H]([NH3+])C(=O)N[C@@H](CC1CC[NH2+]CC1)c1ccccc1F ZINC001221202109 1032328583 /nfs/dbraw/zinc/32/85/83/1032328583.db2.gz SFVOWRZDCRJFAA-SFTDATJTSA-N 2 0 375.532 3.837 20 30 GHEDRP C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(OCCC[NH+](C)C)cc1)CC2 ZINC001204269411 1032713014 /nfs/dbraw/zinc/71/30/14/1032713014.db2.gz YUDSDYMOKSTBKR-DEOSSOPVSA-N 2 0 399.579 3.550 20 30 GHEDRP COc1ccc(NC(=[NH2+])NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000304748340 1021153759 /nfs/dbraw/zinc/15/37/59/1021153759.db2.gz HCZUAHODEHQGFK-UHFFFAOYSA-N 2 0 386.927 3.987 20 30 GHEDRP C=CCOC(=O)N1CCC2(CC1)CC[NH+](CCC[NH2+]C1CCCCC1)CC2 ZINC001204848200 1033118436 /nfs/dbraw/zinc/11/84/36/1033118436.db2.gz LMHURFMNCIQEJM-UHFFFAOYSA-N 2 0 377.573 3.799 20 30 GHEDRP N#Cc1ccc(CC[N@@H+]2[C@@H](COCc3ccccc3)CCC23CC[NH2+]CC3)cc1 ZINC001222573776 1030204839 /nfs/dbraw/zinc/20/48/39/1030204839.db2.gz DQIKNCMFPTZEJI-XMMPIXPASA-N 2 0 389.543 3.904 20 30 GHEDRP C=CCN1CC[C@@]2(C[N@H+](CC3(C[NH+](C)C)CCCC3)C[C@@H]2c2ccccc2)C1=O ZINC001208184753 1034780310 /nfs/dbraw/zinc/78/03/10/1034780310.db2.gz FOVGEIJITJGUJS-RDGATRHJSA-N 2 0 395.591 3.613 20 30 GHEDRP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](C[C@@H]1CCC[NH+](Cc3ccccc3)C1)C2 ZINC001208935792 1035101549 /nfs/dbraw/zinc/10/15/49/1035101549.db2.gz LQZPGPZRIKEDPD-SGNDLWITSA-N 2 0 384.564 3.725 20 30 GHEDRP C[NH+](C)CCCCNc1ncccc1C1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001161725445 1035291158 /nfs/dbraw/zinc/29/11/58/1035291158.db2.gz YVPMUHGCDRYBFX-UHFFFAOYSA-N 2 0 391.563 3.893 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC001245996349 1037116632 /nfs/dbraw/zinc/11/66/32/1037116632.db2.gz VIJPUEFOZACRKT-YPAWHYETSA-N 2 0 386.621 3.771 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]CC(C)(C)C[NH3+] ZINC001246007277 1037128277 /nfs/dbraw/zinc/12/82/77/1037128277.db2.gz ZGUVPKSRKQWXTB-NRFANRHFSA-N 2 0 388.637 3.876 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+][C@H]1C[C@@](C)([NH3+])C1 ZINC001246009296 1037129437 /nfs/dbraw/zinc/12/94/37/1037129437.db2.gz JHGPEZLQRUEHEU-FDFHNCONSA-N 2 0 386.621 3.771 20 30 GHEDRP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3C[C@@H](CC)[NH2+][C@@H](CC)C3)C2)CC1 ZINC001246526110 1037457166 /nfs/dbraw/zinc/45/71/66/1037457166.db2.gz LYWXDCFNGQCNKJ-PMOLBWCYSA-N 2 0 377.573 3.796 20 30 GHEDRP C=CCN1CC[C@@]2(C[N@H+]([C@H]3CC[NH2+][C@H](CCCC)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246704498 1037558042 /nfs/dbraw/zinc/55/80/42/1037558042.db2.gz WAASHXGGNDRSNS-QENXHYHDSA-N 2 0 395.591 3.801 20 30 GHEDRP C=CCN1CC[C@@]2(C[N@H+]([C@H]3CC[NH2+][C@H](C(C)(C)C)C3)C[C@@H]2c2ccccc2)C1=O ZINC001246705950 1037558995 /nfs/dbraw/zinc/55/89/95/1037558995.db2.gz ZKNCRDRTAWUGDV-MTQWNXOMSA-N 2 0 395.591 3.657 20 30 GHEDRP C=CCC[C@@H](O)C[NH2+]CC1CC[NH+](Cc2ccccc2Br)CC1 ZINC001252620730 1039050261 /nfs/dbraw/zinc/05/02/61/1039050261.db2.gz YWNAFYFDWHVNGE-GOSISDBHSA-N 2 0 381.358 3.578 20 30 GHEDRP COc1ccc(C[N@H+](Cc2ccccc2OC)[C@H]2CC[C@H]([NH3+])CC2)c(C#N)c1 ZINC001236700227 1041841204 /nfs/dbraw/zinc/84/12/04/1041841204.db2.gz KGWNPAUXHOWJPF-MEMLXQNLSA-N 2 0 379.504 3.848 20 30 GHEDRP C[NH+]1CCC(N(Cc2ccc(C#Cc3ccccc3)cc2)C2CC[NH2+]CC2)CC1 ZINC001237038859 1041999127 /nfs/dbraw/zinc/99/91/27/1041999127.db2.gz YBXWTRLBWKLERG-UHFFFAOYSA-N 2 0 387.571 3.735 20 30 GHEDRP Cc1nccn1-c1cc[nH+]cc1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC001328355961 1050478981 /nfs/dbraw/zinc/47/89/81/1050478981.db2.gz NKGWNHGXBPUHBW-UHFFFAOYSA-N 2 0 396.410 3.887 20 30 GHEDRP C=CCCCCCCC[N@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001209442614 836573099 /nfs/dbraw/zinc/57/30/99/836573099.db2.gz ZKESAPCEUKOUSG-DHIUTWEWSA-N 2 0 377.617 3.774 20 30 GHEDRP N#CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000248405780 845302815 /nfs/dbraw/zinc/30/28/15/845302815.db2.gz RTKRNFGTXKWVCR-GMKZXUHWSA-N 2 0 375.516 3.979 20 30 GHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)CC1 ZINC000271773741 846915811 /nfs/dbraw/zinc/91/58/11/846915811.db2.gz GMENHPBBAUZTQZ-SFHVURJKSA-N 2 0 396.510 3.721 20 30 GHEDRP [NH2+]=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N[C@H]1CCOc2ccccc21 ZINC000083030349 861930651 /nfs/dbraw/zinc/93/06/51/861930651.db2.gz NJUNJRVKNJHHAH-NRFANRHFSA-N 2 0 378.520 3.601 20 30 GHEDRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611392302 859735054 /nfs/dbraw/zinc/73/50/54/859735054.db2.gz QHIQRAJUCHGZJS-XMMPIXPASA-N 2 0 393.531 3.682 20 30 GHEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000602718358 860228872 /nfs/dbraw/zinc/22/88/72/860228872.db2.gz NIQNJKLIEMBZQO-IRLDBZIGSA-N 2 0 381.564 3.977 20 30 GHEDRP CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000598628042 860474490 /nfs/dbraw/zinc/47/44/90/860474490.db2.gz KORVFUJDQDSTCF-YADHBBJMSA-N 2 0 383.580 3.910 20 30 GHEDRP N#Cc1ccc(C[NH+]2CCC(N[C@@H](C[NH+]3CCCC3)c3ccccc3)CC2)cc1 ZINC000181430695 870998484 /nfs/dbraw/zinc/99/84/84/870998484.db2.gz UZTFCXPUGBNWJM-VWLOTQADSA-N 2 0 388.559 3.949 20 30 GHEDRP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1)CC(C)C ZINC000539096220 871306647 /nfs/dbraw/zinc/30/66/47/871306647.db2.gz BODQJOPYTDYHMX-UGKGYDQZSA-N 2 0 378.605 3.509 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)[C@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)CC1 ZINC000531295217 879527508 /nfs/dbraw/zinc/52/75/08/879527508.db2.gz NCXLXVFKNTVOEO-IBGZPJMESA-N 2 0 397.485 3.855 20 30 GHEDRP C=CCC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccco1 ZINC000286178816 912608374 /nfs/dbraw/zinc/60/83/74/912608374.db2.gz QRZUHIQVFSNPBW-SFTDATJTSA-N 2 0 381.520 3.774 20 30 GHEDRP CCc1cccc[n+]1C(C(=O)c1ccccc1)C(=S)NCC(C)(C)C[NH+](C)C ZINC000170715501 884529186 /nfs/dbraw/zinc/52/91/86/884529186.db2.gz PANMMFQZHBMMMV-UHFFFAOYSA-O 2 0 398.596 3.653 20 30 GHEDRP C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809704445 887721630 /nfs/dbraw/zinc/72/16/30/887721630.db2.gz ADGGJFJDLGJBDT-UHFFFAOYSA-N 2 0 381.568 3.794 20 30 GHEDRP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC001171216284 902728405 /nfs/dbraw/zinc/72/84/05/902728405.db2.gz HGPYTBOXKBXXOA-NRFANRHFSA-N 2 0 389.543 3.856 20 30 GHEDRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)CC1 ZINC000290580589 914741958 /nfs/dbraw/zinc/74/19/58/914741958.db2.gz UOKKLWUCMJFCEG-NRFANRHFSA-N 2 0 377.536 3.627 20 30 GHEDRP COc1ccc(NC(=[NH2+])NC[C@@H](c2ccccc2OC)N2CCCCC2)cc1 ZINC000104166477 904546222 /nfs/dbraw/zinc/54/62/22/904546222.db2.gz KFUADPUSYJRCFS-FQEVSTJZSA-N 2 0 382.508 3.658 20 30 GHEDRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)C[C@H]1C#N ZINC001172975299 906041090 /nfs/dbraw/zinc/04/10/90/906041090.db2.gz YKGGDPNVEALGGP-PMACEKPBSA-N 2 0 390.572 3.522 20 30 GHEDRP CCOC(=O)C[C@@H]1CC[C@@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173634552 906586060 /nfs/dbraw/zinc/58/60/60/906586060.db2.gz VQNYROMSZDIAOS-GXRSIYKFSA-N 2 0 383.536 3.752 20 30 GHEDRP Cn1cc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)cc1C#N ZINC000190757445 908524549 /nfs/dbraw/zinc/52/45/49/908524549.db2.gz MLPGYWSZFMNLCQ-UHFFFAOYSA-N 2 0 399.542 3.509 20 30 GHEDRP Cc1ccc(NC(=[NH2+])NCCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1C ZINC000303872056 915229658 /nfs/dbraw/zinc/22/96/58/915229658.db2.gz BSRVHMIZPXNSPZ-UHFFFAOYSA-N 2 0 393.579 3.628 20 30 GHEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)cc1 ZINC000304473348 915516608 /nfs/dbraw/zinc/51/66/08/915516608.db2.gz FZUPUOYTYGJXKV-GCJKJVERSA-N 2 0 392.547 3.989 20 30 GHEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000304475371 915516834 /nfs/dbraw/zinc/51/68/34/915516834.db2.gz HBWABCYQGOLGCK-GCJKJVERSA-N 2 0 392.547 3.989 20 30 GHEDRP CN(CCC#N)c1ccc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000370261727 923991695 /nfs/dbraw/zinc/99/16/95/923991695.db2.gz NWJAUPUIGMXPRN-UHFFFAOYSA-N 2 0 392.547 3.799 20 30 GHEDRP C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411512691 926469686 /nfs/dbraw/zinc/46/96/86/926469686.db2.gz BNQNGKXZHADUIA-WBVHZDCISA-N 2 0 388.943 3.783 20 30 GHEDRP C=CCc1cc(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)cc(OC)c1OC ZINC000784533804 931928427 /nfs/dbraw/zinc/92/84/27/931928427.db2.gz BKEMPISZDKOXLW-UHFFFAOYSA-N 2 0 378.476 3.611 20 30 GHEDRP C[NH+]1CC2(C1)CC[NH+](Cc1cn(C(=O)OC(C)(C)C)c3ccc(C#N)cc13)CC2 ZINC001140441269 1021715958 /nfs/dbraw/zinc/71/59/58/1021715958.db2.gz MGVNXBBTTNCHKT-UHFFFAOYSA-N 2 0 394.519 3.824 20 30 GHEDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(Cc4ccc(C#N)cc4)CC3)cc2)CC1 ZINC001139409511 1026281888 /nfs/dbraw/zinc/28/18/88/1026281888.db2.gz LWGKIMAOQCURLZ-UHFFFAOYSA-N 2 0 388.559 3.765 20 30 GHEDRP CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CCOCC3(CC[NH2+]CC3)C2)cc1 ZINC001222400593 1030108241 /nfs/dbraw/zinc/10/82/41/1030108241.db2.gz AOALDWYWPYWDRE-UHFFFAOYSA-N 2 0 390.531 3.528 20 30 GHEDRP Cc1cccc2nc(Cl)c(C#N)c(N(C3CC[NH2+]CC3)C3CC[NH+](C)CC3)c12 ZINC001158591467 1034183448 /nfs/dbraw/zinc/18/34/48/1034183448.db2.gz RBVMPDPSBWJAEY-UHFFFAOYSA-N 2 0 397.954 3.721 20 30 GHEDRP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](CC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001207291530 1034243987 /nfs/dbraw/zinc/24/39/87/1034243987.db2.gz RLQJAMBGEMKWEC-BJKOFHAPSA-N 2 0 384.564 3.725 20 30 GHEDRP C=CCOC(=O)N1CCC2(CCC[N@@H+](CC3(C[NH+](C)C)CCCC3)C2)CC1 ZINC001208181966 1034777629 /nfs/dbraw/zinc/77/76/29/1034777629.db2.gz FUZUBQFOSIPHTP-UHFFFAOYSA-N 2 0 377.573 3.609 20 30 GHEDRP C=CCN1C(=O)CC[C@@]12CCC[N@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC001208947532 1035117743 /nfs/dbraw/zinc/11/77/43/1035117743.db2.gz UCENMZLPVBLTIR-LADGPHEKSA-N 2 0 381.564 3.542 20 30 GHEDRP C=CCN(CC[NH+]1CCC2(CC[C@H]2[N@H+](C)Cc2ccco2)CC1)C(=O)OCC ZINC001209019819 1035152264 /nfs/dbraw/zinc/15/22/64/1035152264.db2.gz SUXVXPJOBDGWRU-HXUWFJFHSA-N 2 0 389.540 3.601 20 30 GHEDRP N#Cc1cc(-c2cccc(C[NH+]3CCC([NH3+])CC3)c2)ccc1OC1CCOCC1 ZINC001245307552 1036868727 /nfs/dbraw/zinc/86/87/27/1036868727.db2.gz ORMDZTJJUGIRIH-UHFFFAOYSA-N 2 0 391.515 3.706 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+]C1CC2(C[NH2+]C2)C1 ZINC001245983385 1037107485 /nfs/dbraw/zinc/10/74/85/1037107485.db2.gz FWTJOWIKCOWBEX-JOCHJYFZSA-N 2 0 398.632 3.643 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]CCCC[NH2+]C ZINC001245986637 1037110608 /nfs/dbraw/zinc/11/06/08/1037110608.db2.gz YDXSZDBZSLNAIU-QFIPXVFZSA-N 2 0 388.637 3.891 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@H](O)C[N@H+](C)CCCC[NH3+] ZINC001246050373 1037162917 /nfs/dbraw/zinc/16/29/17/1037162917.db2.gz GAYBFGAEMJAEFC-JOCHJYFZSA-N 2 0 388.637 3.972 20 30 GHEDRP COc1ccc2c(c1)C1(C[C@@H]2[NH2+][C@@H](C)Cc2cccc(C#N)c2)CC[NH2+]CC1 ZINC001246127689 1037205817 /nfs/dbraw/zinc/20/58/17/1037205817.db2.gz OWRVMZGZJYCWJX-SBUREZEXSA-N 2 0 375.516 3.854 20 30 GHEDRP CCCCCCCCOc1ccc(-c2noc([C@@H]3C[NH2+]CC34C[NH2+]C4)n2)cc1 ZINC001247830979 1038412859 /nfs/dbraw/zinc/41/28/59/1038412859.db2.gz QDESMAVDRCLTFV-IBGZPJMESA-N 2 0 384.524 3.752 20 30 GHEDRP CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001252126252 1038873761 /nfs/dbraw/zinc/87/37/61/1038873761.db2.gz OIAGCGCIMYLOOV-ZLNRFVROSA-N 2 0 380.617 3.778 20 30 GHEDRP CCOC(=O)[C@@H]1CCC[C@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255348162 1040954010 /nfs/dbraw/zinc/95/40/10/1040954010.db2.gz BNMVDNYLQLTZRU-YSFYHYPLSA-N 2 0 383.536 3.752 20 30 GHEDRP C=CCN1C(=O)CCC12CC[NH+]([C@H]1CCC[N@H+](Cc3ccccc3)CC1)CC2 ZINC001255400151 1040986968 /nfs/dbraw/zinc/98/69/68/1040986968.db2.gz GNRZIEKSFANFDI-QFIPXVFZSA-N 2 0 381.564 3.684 20 30 GHEDRP COc1ccc(C[N@H+](CCCc2cccc(C#N)c2)C2CC[NH2+]CC2)cc1F ZINC001236517170 1041750797 /nfs/dbraw/zinc/75/07/97/1041750797.db2.gz QCKZFRJVPKKDGW-UHFFFAOYSA-N 2 0 381.495 3.893 20 30 GHEDRP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)C2)CC1 ZINC001258908571 1044862058 /nfs/dbraw/zinc/86/20/58/1044862058.db2.gz XNXOKRVNGHPKCF-FQEVSTJZSA-N 2 0 379.589 3.998 20 30 GHEDRP N#Cc1cccc(NC(=O)CC[NH2+]Cc2ccccc2C[NH+]2CCCCC2)c1 ZINC001326585326 1057517239 /nfs/dbraw/zinc/51/72/39/1057517239.db2.gz ZISPOPROZITBTP-UHFFFAOYSA-N 2 0 376.504 3.663 20 30 GHEDRP C=CCC1([NH2+]CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)CCCCC1 ZINC001460629565 1069042598 /nfs/dbraw/zinc/04/25/98/1069042598.db2.gz FMFZHEPDSDPKDO-UHFFFAOYSA-N 2 0 383.580 3.898 20 30 GHEDRP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000533409144 835465439 /nfs/dbraw/zinc/46/54/39/835465439.db2.gz ORQOVSYPYUXSFL-GOSISDBHSA-N 2 0 377.598 3.703 20 30 GHEDRP C=CCC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccco1 ZINC000414333285 837190645 /nfs/dbraw/zinc/19/06/45/837190645.db2.gz FFAIUNVJZHJMKK-NRFANRHFSA-N 2 0 381.520 3.774 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1OCC ZINC000415030733 839090708 /nfs/dbraw/zinc/09/07/08/839090708.db2.gz GAFAKYHPXCYWOL-DZGCQCFKSA-N 2 0 383.330 3.630 20 30 GHEDRP N#CCc1cccc2c1CC[NH+](C/C=C/C[N@H+]1CCc3c(CC#N)cccc3C1)C2 ZINC000599676343 861473734 /nfs/dbraw/zinc/47/37/34/861473734.db2.gz AWCQBGDNFQLUCR-OWOJBTEDSA-N 2 0 396.538 3.791 20 30 GHEDRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000512647692 844876437 /nfs/dbraw/zinc/87/64/37/844876437.db2.gz JFOQDPAQLXTWEI-FDDCHVKYSA-N 2 0 380.511 3.727 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000414795704 850533659 /nfs/dbraw/zinc/53/36/59/850533659.db2.gz GYWMLASBKSZCNP-ZBFHGGJFSA-N 2 0 383.330 3.630 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](CC)CC)CC1 ZINC000518014941 852733238 /nfs/dbraw/zinc/73/32/38/852733238.db2.gz HBWISSDPAYAZJR-FQEVSTJZSA-N 2 0 392.975 3.673 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)N(CC)[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000473955930 854423857 /nfs/dbraw/zinc/42/38/57/854423857.db2.gz KPTZGFQLVWVXPC-NFBKMPQASA-N 2 0 398.595 3.894 20 30 GHEDRP C[NH+]1CCC2(CC1)C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CCO2 ZINC000592185559 856683274 /nfs/dbraw/zinc/68/32/74/856683274.db2.gz YRMKZFQDXGQQNQ-UHFFFAOYSA-N 2 0 389.543 3.683 20 30 GHEDRP CC(C)(C#N)c1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000594501335 858193089 /nfs/dbraw/zinc/19/30/89/858193089.db2.gz UHDYJRMXGOJPPF-QHCPKHFHSA-N 2 0 377.532 3.734 20 30 GHEDRP C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000594919979 858304917 /nfs/dbraw/zinc/30/49/17/858304917.db2.gz LPUFNXQLLNJLEX-GOSISDBHSA-N 2 0 392.522 3.983 20 30 GHEDRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)CC3(C#N)CCOCC3)CC2)c1 ZINC000602510801 860083335 /nfs/dbraw/zinc/08/33/35/860083335.db2.gz OJRXQOXVQPLVCW-QFIPXVFZSA-N 2 0 398.595 3.586 20 30 GHEDRP Cc1ccc([C@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)[NH+]2CCCC2)cc1 ZINC000304495861 866498342 /nfs/dbraw/zinc/49/83/42/866498342.db2.gz NMZPROSBTXFRCC-RTWAWAEBSA-N 2 0 378.520 3.560 20 30 GHEDRP C[NH+](C)CCOC1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000539831883 869869946 /nfs/dbraw/zinc/86/99/46/869869946.db2.gz IPTHELGMTLCSND-UHFFFAOYSA-N 2 0 393.531 3.680 20 30 GHEDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000478031261 872381007 /nfs/dbraw/zinc/38/10/07/872381007.db2.gz GAZUBTBQXFSBOY-IBGZPJMESA-N 2 0 382.552 3.863 20 30 GHEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC001196055729 872831006 /nfs/dbraw/zinc/83/10/06/872831006.db2.gz GGRHBPPRVOEYNV-REWPJTCUSA-N 2 0 383.580 3.800 20 30 GHEDRP N#Cc1cccc(-c2nnc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)o2)c1 ZINC000443602749 874298970 /nfs/dbraw/zinc/29/89/70/874298970.db2.gz LPCOADMGAMTJAA-UHFFFAOYSA-N 2 0 379.508 3.696 20 30 GHEDRP Cc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)ccc1C#N ZINC000549867948 875713860 /nfs/dbraw/zinc/71/38/60/875713860.db2.gz JNEBUJDEIPKGJP-XMMPIXPASA-N 2 0 389.543 3.885 20 30 GHEDRP Cc1cc(C[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)ccc1C#N ZINC000443972062 877148340 /nfs/dbraw/zinc/14/83/40/877148340.db2.gz WFXOUSVTAKASDU-UHFFFAOYSA-N 2 0 393.531 3.646 20 30 GHEDRP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859211818 883664231 /nfs/dbraw/zinc/66/42/31/883664231.db2.gz GFDNHFPPFDZMLU-SFHVURJKSA-N 2 0 385.577 3.845 20 30 GHEDRP N#Cc1cc2[nH]ccc2c(-n2cc(CC[NH+]3CCC([NH3+])CC3)c3ccccc32)c1 ZINC001170528250 885544141 /nfs/dbraw/zinc/54/41/41/885544141.db2.gz HVQPVYPDPWTXKR-UHFFFAOYSA-N 2 0 383.499 3.949 20 30 GHEDRP C=CCC[C@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000878375720 894241773 /nfs/dbraw/zinc/24/17/73/894241773.db2.gz IBZHBQQZKHIDBC-SFHVURJKSA-N 2 0 383.458 3.513 20 30 GHEDRP C=CCCC[C@@H](C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)c1ccccc1 ZINC000878553406 894379741 /nfs/dbraw/zinc/37/97/41/894379741.db2.gz YZBQBLWPLMWETR-HSZRJFAPSA-N 2 0 383.580 3.801 20 30 GHEDRP C[N@H+](Cc1ccccc1C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)C1CCCCC1 ZINC000600720349 902843035 /nfs/dbraw/zinc/84/30/35/902843035.db2.gz OTZNHDFNLFLRMR-HSZRJFAPSA-N 2 0 399.579 3.612 20 30 GHEDRP COc1ccc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cc1OCCCC#N ZINC000265180028 903689954 /nfs/dbraw/zinc/68/99/54/903689954.db2.gz LJURTIPIYHHCGC-UHFFFAOYSA-N 2 0 385.483 3.868 20 30 GHEDRP COC(=O)[C@H]1CCC[C@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001172780832 905820769 /nfs/dbraw/zinc/82/07/69/905820769.db2.gz KQXQBHNQMAUELL-CMOCDZPBSA-N 2 0 383.536 3.752 20 30 GHEDRP CC[NH+](CC)[C@H]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172979912 906045585 /nfs/dbraw/zinc/04/55/85/906045585.db2.gz UABYMCQKFZTFFX-MKXGPGLRSA-N 2 0 378.561 3.521 20 30 GHEDRP C=CCOc1cccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC001177222809 908472382 /nfs/dbraw/zinc/47/23/82/908472382.db2.gz QDILMRWNFYFIJK-DEOSSOPVSA-N 2 0 379.548 3.720 20 30 GHEDRP N#Cc1ccc2c(c1)C[N@H+](CC1CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001182595032 911901732 /nfs/dbraw/zinc/90/17/32/911901732.db2.gz NIZPZBCTZWQCFB-UHFFFAOYSA-N 2 0 390.487 3.737 20 30 GHEDRP CC1CC[NH+]([C@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)c2cccs2)CC1 ZINC000304511892 915526339 /nfs/dbraw/zinc/52/63/39/915526339.db2.gz XEICDNDWUVRRSY-RBUKOAKNSA-N 2 0 398.576 3.949 20 30 GHEDRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000304499663 915526857 /nfs/dbraw/zinc/52/68/57/915526857.db2.gz RDEDUKDGAFPVFS-PGRDOPGGSA-N 2 0 392.547 3.847 20 30 GHEDRP C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccccc1C#N)CC2 ZINC001204367968 1032809624 /nfs/dbraw/zinc/80/96/24/1032809624.db2.gz RIPTWNQQMNLWEH-FQEVSTJZSA-N 2 0 381.545 3.875 20 30 GHEDRP N#Cc1ccc(Cl)nc1NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162927335 1025970153 /nfs/dbraw/zinc/97/01/53/1025970153.db2.gz ARJNBTUMGRYGGG-IBGZPJMESA-N 2 0 395.938 3.520 20 30 GHEDRP N#CCc1cc(F)cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001162942304 1025978646 /nfs/dbraw/zinc/97/86/46/1025978646.db2.gz UZRDCWDKGQRSRQ-OAQYLSRUSA-N 2 0 392.522 3.805 20 30 GHEDRP N#Cc1cc(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)ccc1N1CC[NH2+]CC1 ZINC001159743103 1034731148 /nfs/dbraw/zinc/73/11/48/1034731148.db2.gz TXZOOZOCOZQVEB-RPWUZVMVSA-N 2 0 399.542 3.701 20 30 GHEDRP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208949876 1035120072 /nfs/dbraw/zinc/12/00/72/1035120072.db2.gz ZHVQYHSYSAGSRK-ISKFKSNPSA-N 2 0 397.563 3.619 20 30 GHEDRP N#Cc1ccccc1OC1CC[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208951277 1035121541 /nfs/dbraw/zinc/12/15/41/1035121541.db2.gz AYSJRHDUOJHYJC-NRFANRHFSA-N 2 0 375.516 3.924 20 30 GHEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC001241771648 1035692977 /nfs/dbraw/zinc/69/29/77/1035692977.db2.gz MRTQOSOJAVBPFT-HSZRJFAPSA-N 2 0 377.532 3.968 20 30 GHEDRP N#Cc1cc(-c2ccccc2C[NH+]2CCC([NH3+])CC2)ccc1OC1CCOCC1 ZINC001245307252 1036866116 /nfs/dbraw/zinc/86/61/16/1036866116.db2.gz ILVFDYDCAIKDMV-UHFFFAOYSA-N 2 0 391.515 3.706 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@@H](O)C[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC001245987833 1037109720 /nfs/dbraw/zinc/10/97/20/1037109720.db2.gz FMZAAXSNPOMPOX-BDTNDASRSA-N 2 0 386.621 3.628 20 30 GHEDRP N#C[C@@]1(NC2CCC([NH+](Cc3ccccc3)Cc3ccccc3)CC2)CC[NH2+]C1 ZINC001246192909 1037231816 /nfs/dbraw/zinc/23/18/16/1037231816.db2.gz DDDJJDHLHKBIME-STEQJIOHSA-N 2 0 388.559 3.845 20 30 GHEDRP N#Cc1ccc(O[C@@H]2CCC[N@@H+]([C@@H]3CC[NH2+][C@H](Cc4ccccc4)C3)C2)cc1 ZINC001246970968 1037794123 /nfs/dbraw/zinc/79/41/23/1037794123.db2.gz XLKNFZJQYDEVTB-CQOQZXRMSA-N 2 0 375.516 3.765 20 30 GHEDRP N#Cc1ccc(O[C@@H]2CCC[N@@H+]([C@H]3CC[NH2+][C@H](Cc4ccccc4)C3)C2)cc1 ZINC001246970967 1037795724 /nfs/dbraw/zinc/79/57/24/1037795724.db2.gz XLKNFZJQYDEVTB-AOHZBQACSA-N 2 0 375.516 3.765 20 30 GHEDRP N#C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3Br)CC2)C1 ZINC001254648442 1040418364 /nfs/dbraw/zinc/41/83/64/1040418364.db2.gz IHHYNNXNKMTTPL-FUHWJXTLSA-N 2 0 376.342 3.943 20 30 GHEDRP C=CCN(CC[N@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1)C(=O)OCC ZINC001236743288 1041869709 /nfs/dbraw/zinc/86/97/09/1041869709.db2.gz WVIIXJVEOMHLEL-MXVIHJGJSA-N 2 0 377.504 3.542 20 30 GHEDRP Cn1cc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c2cc(C#N)ccc21 ZINC001237470824 1042222926 /nfs/dbraw/zinc/22/29/26/1042222926.db2.gz YGOZGDWGSYGELR-UHFFFAOYSA-N 2 0 399.542 3.933 20 30 GHEDRP CCCCCCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001258048930 1044370887 /nfs/dbraw/zinc/37/08/87/1044370887.db2.gz ZIDLBJGLLLRAST-YTFSRNRJSA-N 2 0 379.633 3.996 20 30 GHEDRP C=CCOC(=O)N1CCC2(CC1)CC[NH+]([C@H](C)CCC[NH+](CC)CC)CC2 ZINC001258907996 1044861528 /nfs/dbraw/zinc/86/15/28/1044861528.db2.gz PQFINQMKPALJLR-HXUWFJFHSA-N 2 0 379.589 3.998 20 30 GHEDRP C=C(CC[NH+](C)C)C(=O)N[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001304218636 1047618116 /nfs/dbraw/zinc/61/81/16/1047618116.db2.gz OOLLXDTYHAIVHD-UKILVPOCSA-N 2 0 391.559 3.669 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](CCC)C2)CC1 ZINC001311892158 1052461916 /nfs/dbraw/zinc/46/19/16/1052461916.db2.gz RWHMCMJWYCPDQK-QHCPKHFHSA-N 2 0 398.595 3.723 20 30 GHEDRP N#Cc1ccc(C[NH+]2CCC(NC[C@H]3CC[N@@H+]3C3CCCCCC3)CC2)cc1 ZINC001474239486 1074304996 /nfs/dbraw/zinc/30/49/96/1074304996.db2.gz ZINHZQOCGOWLOS-XMMPIXPASA-N 2 0 380.580 3.909 20 30 GHEDRP COc1ccc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)cc1C#N ZINC000176984643 835431597 /nfs/dbraw/zinc/43/15/97/835431597.db2.gz DLABQTVALHLDKA-UHFFFAOYSA-N 2 0 393.531 3.728 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000159252828 835783195 /nfs/dbraw/zinc/78/31/95/835783195.db2.gz OWOFAFXHMPEPRT-REWPJTCUSA-N 2 0 398.595 3.721 20 30 GHEDRP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000246134098 835970025 /nfs/dbraw/zinc/97/00/25/835970025.db2.gz ZWHJLBAPCJBKHI-VQTJNVASSA-N 2 0 388.600 3.694 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1OCC ZINC000415030735 839090236 /nfs/dbraw/zinc/09/02/36/839090236.db2.gz GAFAKYHPXCYWOL-UKRRQHHQSA-N 2 0 383.330 3.630 20 30 GHEDRP C[NH+](C)Cc1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1F ZINC000541909582 843607021 /nfs/dbraw/zinc/60/70/21/843607021.db2.gz LYFCOJUKBNMJND-UHFFFAOYSA-N 2 0 380.511 3.513 20 30 GHEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)C(C)C ZINC000503441426 847697497 /nfs/dbraw/zinc/69/74/97/847697497.db2.gz XLVNOAJZPKVIJY-HSZRJFAPSA-N 2 0 398.595 3.603 20 30 GHEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000732230788 862161991 /nfs/dbraw/zinc/16/19/91/862161991.db2.gz TTWVDYLCTCZVPC-IBGZPJMESA-N 2 0 379.504 3.742 20 30 GHEDRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C(=O)Nc1ccccc1C#N ZINC000056156187 855485494 /nfs/dbraw/zinc/48/54/94/855485494.db2.gz YBUZWCRYCLFWOJ-OALUTQOASA-N 2 0 390.531 3.907 20 30 GHEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000765941986 856651423 /nfs/dbraw/zinc/65/14/23/856651423.db2.gz ICTMACOTCOANPW-IEBWSBKVSA-N 2 0 377.960 3.637 20 30 GHEDRP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1OCCCC#N ZINC000592376383 856795922 /nfs/dbraw/zinc/79/59/22/856795922.db2.gz IOSZTSLYSWKIJI-YADHBBJMSA-N 2 0 393.531 3.813 20 30 GHEDRP N#C[C@@H]1CC[C@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000442705455 858064224 /nfs/dbraw/zinc/06/42/24/858064224.db2.gz BIDXVZDYTYWKEU-MJGOQNOKSA-N 2 0 394.485 3.889 20 30 GHEDRP C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000442922332 858245488 /nfs/dbraw/zinc/24/54/88/858245488.db2.gz KLZLYDQYBPTVPE-CQSZACIVSA-N 2 0 383.330 3.583 20 30 GHEDRP C#CCCOc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)cc1 ZINC000856552730 881378032 /nfs/dbraw/zinc/37/80/32/881378032.db2.gz GNPHBSVOTYKAII-DEOSSOPVSA-N 2 0 393.531 3.589 20 30 GHEDRP C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](CC)CC3)cc2)cc1 ZINC000765011121 859726186 /nfs/dbraw/zinc/72/61/86/859726186.db2.gz SKOWWVZCKWJBMU-OAQYLSRUSA-N 2 0 391.559 3.687 20 30 GHEDRP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170389396 881505403 /nfs/dbraw/zinc/50/54/03/881505403.db2.gz QPMQFZMSEHQHEI-SHSGKGFPSA-N 2 0 381.564 3.966 20 30 GHEDRP CCOCCC[N@@H+]1CC[C@H](/[NH+]=C\c2ccc(N(CC)CC)cc2O)[C@@H](C)C1 ZINC000734366229 864178592 /nfs/dbraw/zinc/17/85/92/864178592.db2.gz JMFXYIVBYVJVMK-RXCKXGNTSA-N 2 0 375.557 3.794 20 30 GHEDRP C[NH+]=C(NCCc1c[nH]c2ccc(Cl)cc12)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262760901 882137970 /nfs/dbraw/zinc/13/79/70/882137970.db2.gz DEHHYHPUTXZHNW-AYHJJNSGSA-N 2 0 387.959 3.544 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](c2ccc(Cl)cc2)[N@@H+](C)CCC)CC1 ZINC000553925687 868484154 /nfs/dbraw/zinc/48/41/54/868484154.db2.gz FUVGNIFTOSEEPY-HXUWFJFHSA-N 2 0 392.975 3.673 20 30 GHEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181513302 871125928 /nfs/dbraw/zinc/12/59/28/871125928.db2.gz SIUBPQVQDVHOKE-NHCUHLMSSA-N 2 0 382.596 3.870 20 30 GHEDRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(-c2ccccc2C#N)cc1 ZINC000441265640 871656466 /nfs/dbraw/zinc/65/64/66/871656466.db2.gz MGYWFCJPHWYEBZ-YFNKSVMNSA-N 2 0 375.516 3.909 20 30 GHEDRP C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000237634930 877725556 /nfs/dbraw/zinc/72/55/56/877725556.db2.gz MCSYIZXVXCNMEQ-AQNXPRMDSA-N 2 0 393.531 3.876 20 30 GHEDRP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000532540798 885947823 /nfs/dbraw/zinc/94/78/23/885947823.db2.gz HFGCGPQXTWVCRF-OAQYLSRUSA-N 2 0 398.595 3.991 20 30 GHEDRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000809739102 887772818 /nfs/dbraw/zinc/77/28/18/887772818.db2.gz XLVOLOPMIHHKEP-UHFFFAOYSA-N 2 0 388.519 3.552 20 30 GHEDRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]Cc3cc(C#N)cs3)cc2)C[C@H]1C ZINC000537021903 894225804 /nfs/dbraw/zinc/22/58/04/894225804.db2.gz RDXPZJIEPNNOJY-QZTJIDSGSA-N 2 0 383.561 3.919 20 30 GHEDRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCOc2cccc(C#N)c2)CC1 ZINC000537109289 894358332 /nfs/dbraw/zinc/35/83/32/894358332.db2.gz GYUSMZKRZXHRBL-GOSISDBHSA-N 2 0 396.510 3.569 20 30 GHEDRP N#Cc1ccc(-c2nnc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)o2)cc1 ZINC000121801864 901678325 /nfs/dbraw/zinc/67/83/25/901678325.db2.gz WYYQVLOYLYAFHG-UHFFFAOYSA-N 2 0 379.508 3.696 20 30 GHEDRP C#Cc1ccc(C[NH+]2CCC3(C[C@H](COC)N(Cc4nccs4)C3)CC2)cc1 ZINC001144568845 902399415 /nfs/dbraw/zinc/39/94/15/902399415.db2.gz GAFJRAVDOIMJFY-OAQYLSRUSA-N 2 0 395.572 3.628 20 30 GHEDRP CCC(CC)[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172973900 906039373 /nfs/dbraw/zinc/03/93/73/906039373.db2.gz JAOYSQPIFPQVIX-MJGOQNOKSA-N 2 0 378.561 3.521 20 30 GHEDRP COc1ccc(NC(=[NH2+])NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)cc1OC ZINC000303879629 915238321 /nfs/dbraw/zinc/23/83/21/915238321.db2.gz JSMJBBRUOBEUTL-FQEVSTJZSA-N 2 0 396.535 3.904 20 30 GHEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])N2CCCCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000304758234 915673809 /nfs/dbraw/zinc/67/38/09/915673809.db2.gz PSNLVUCEIPDXKY-AEFFLSMTSA-N 2 0 382.474 3.889 20 30 GHEDRP C=C(C)c1cccc(C(C)(C)NC(=O)N2CC[NH+](CC3CC[NH+](C)CC3)CC2)c1 ZINC001189268348 916526763 /nfs/dbraw/zinc/52/67/63/916526763.db2.gz FEQURKRLQCHBLI-UHFFFAOYSA-N 2 0 398.595 3.624 20 30 GHEDRP C#CC[C@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccccc1 ZINC000775399767 917447875 /nfs/dbraw/zinc/44/78/75/917447875.db2.gz JLDQAJYJCZAGTD-QFIPXVFZSA-N 2 0 393.556 3.528 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000468025878 1015161983 /nfs/dbraw/zinc/16/19/83/1015161983.db2.gz KWBPSPVGBLUWSY-UGKGYDQZSA-N 2 0 386.584 3.702 20 30 GHEDRP C#C[C@H](Oc1c(C[NH+](C)C)cc(C[NH+](C)C)cc1C[NH+](C)C)c1ccccc1 ZINC001227161871 1032301082 /nfs/dbraw/zinc/30/10/82/1032301082.db2.gz XWNSQLPYKXXLJR-QHCPKHFHSA-N 3 0 379.548 3.625 20 30 GHEDRP C=CCc1cccc(C[NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1O ZINC001138627339 1025127154 /nfs/dbraw/zinc/12/71/54/1025127154.db2.gz CRCOPOMFHBJLPB-VJBWXMMDSA-N 2 0 394.563 3.691 20 30 GHEDRP N#Cc1ccccc1OC1CC[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208951278 1035124450 /nfs/dbraw/zinc/12/44/50/1035124450.db2.gz AYSJRHDUOJHYJC-OAQYLSRUSA-N 2 0 375.516 3.924 20 30 GHEDRP N#Cc1ccc(O[C@@H]2CCC[N@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001208956563 1035130035 /nfs/dbraw/zinc/13/00/35/1035130035.db2.gz BPJQGTGNHICVFS-ISKFKSNPSA-N 2 0 375.516 3.924 20 30 GHEDRP CCCCCCCCCCCC[C@H](O)C[NH2+]C[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001245978710 1037103573 /nfs/dbraw/zinc/10/35/73/1037103573.db2.gz PGACPTRBZKOWLJ-VJBWXMMDSA-N 2 0 398.632 3.643 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC001245996344 1037116800 /nfs/dbraw/zinc/11/68/00/1037116800.db2.gz VIJPUEFOZACRKT-BHIFYINESA-N 2 0 386.621 3.771 20 30 GHEDRP CCCCCCCC[C@H](O)C[N@@H+]1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001246037483 1037153009 /nfs/dbraw/zinc/15/30/09/1037153009.db2.gz AUXZIIPWZKEQFQ-FQEVSTJZSA-N 2 0 376.589 3.842 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@H](O)C[NH+]1CC(CC[NH3+])C1 ZINC001246044367 1037157189 /nfs/dbraw/zinc/15/71/89/1037157189.db2.gz FPBXXBBCVVHJMX-JOCHJYFZSA-N 2 0 386.621 3.582 20 30 GHEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001246306299 1037286796 /nfs/dbraw/zinc/28/67/96/1037286796.db2.gz VHDRDFIPPYKEIR-QAPCUYQASA-N 2 0 385.335 3.667 20 30 GHEDRP C=CCOC(=O)N1CCCC2(CC[NH+]([C@@H]3CC[NH2+][C@H](CCCC)C3)CC2)C1 ZINC001246527783 1037460459 /nfs/dbraw/zinc/46/04/59/1037460459.db2.gz WMVBCRLOKRBPCK-WOJBJXKFSA-N 2 0 377.573 3.798 20 30 GHEDRP N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@@H+]([C@H]2CSC3(C[NH2+]C3)C2)C1 ZINC001246899169 1037713626 /nfs/dbraw/zinc/71/36/26/1037713626.db2.gz XBDKDBWBQUARSD-FGZHOGPDSA-N 2 0 389.568 3.666 20 30 GHEDRP N#Cc1ccc(-c2noc([C@H]3CCC[N@@H+](C4CC[NH2+]CC4)C3)n2)c2ccccc12 ZINC001247904057 1038475606 /nfs/dbraw/zinc/47/56/06/1038475606.db2.gz DMXYQHWRKPHZMF-KRWDZBQOSA-N 2 0 387.487 3.693 20 30 GHEDRP N#Cc1cc(C[NH+]2CCC3(CC2)C[NH2+]Cc2ccccc23)ccc1Br ZINC001235089919 1040578009 /nfs/dbraw/zinc/57/80/09/1040578009.db2.gz HFYKUWUCHHPHJD-UHFFFAOYSA-N 2 0 396.332 3.958 20 30 GHEDRP N#Cc1cccc(C[N@H+]([C@@H]2CCN(Cc3ccccc3)C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001255106241 1040787338 /nfs/dbraw/zinc/78/73/38/1040787338.db2.gz PLTWUTDVZGOHFN-UBFVSLLYSA-N 2 0 388.559 3.905 20 30 GHEDRP CCOC(=O)[C@H]1CCC[C@@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001255351279 1040956738 /nfs/dbraw/zinc/95/67/38/1040956738.db2.gz WYPHSZHBCIIQIW-MYGLTJDJSA-N 2 0 383.536 3.752 20 30 GHEDRP N#Cc1ccc(O[C@@H]2CCC[N@H+](Cc3cn4c5c3cccc5C[NH2+]CC4)C2)cc1 ZINC001236581660 1041767688 /nfs/dbraw/zinc/76/76/88/1041767688.db2.gz MLSLVHGRZMXHAD-JOCHJYFZSA-N 2 0 386.499 3.660 20 30 GHEDRP COc1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)ccc1C#N ZINC001238417768 1042589368 /nfs/dbraw/zinc/58/93/68/1042589368.db2.gz ZFWBIWXKKNHKAG-DHIUTWEWSA-N 2 0 375.516 3.911 20 30 GHEDRP N#Cc1c(N)sc(C[N@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)c1Cl ZINC001279370067 1047783765 /nfs/dbraw/zinc/78/37/65/1047783765.db2.gz DEYSSWMCPRCBBH-OKILXGFUSA-N 2 0 378.973 3.942 20 30 GHEDRP N#Cc1ccc([C@H](O)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001327991497 1050347060 /nfs/dbraw/zinc/34/70/60/1050347060.db2.gz HBUWLWWCXTWQCZ-UCBGAZFYSA-N 2 0 375.516 3.767 20 30 GHEDRP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]CCC1CC[NH+](C)CC1 ZINC001339981644 1059593632 /nfs/dbraw/zinc/59/36/32/1059593632.db2.gz RBACPXWXJFNHFN-GOSISDBHSA-N 2 0 392.588 3.627 20 30 GHEDRP N#Cc1ccc(CN2CCC([NH2+]CCc3ccccc3OC(F)F)CC2)cc1 ZINC000188714266 837379052 /nfs/dbraw/zinc/37/90/52/837379052.db2.gz VXYLGSSTYQSYEB-UHFFFAOYSA-N 2 0 385.458 3.956 20 30 GHEDRP Cc1ccc2[nH]c([C@H]3CCC[N@H+](CC(=O)NC4CC[NH+](C5CC5)CC4)C3)nc2c1 ZINC000329281853 861243435 /nfs/dbraw/zinc/24/34/35/861243435.db2.gz KTHISSOOVZBTBL-KRWDZBQOSA-N 2 0 395.551 3.634 20 30 GHEDRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000512264082 843255343 /nfs/dbraw/zinc/25/53/43/843255343.db2.gz VORJSLXNTATRKD-HXUWFJFHSA-N 2 0 384.568 3.766 20 30 GHEDRP C=C(C)COc1cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)ccc1OC ZINC000657535124 848108664 /nfs/dbraw/zinc/10/86/64/848108664.db2.gz FWIGVEFLYPVHIJ-UHFFFAOYSA-N 2 0 388.552 3.631 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000414864579 850002839 /nfs/dbraw/zinc/00/28/39/850002839.db2.gz YUFBWOSEEXMULO-ZFWWWQNUSA-N 2 0 383.330 3.500 20 30 GHEDRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000488391702 851455587 /nfs/dbraw/zinc/45/55/87/851455587.db2.gz OTRNVCCGJQBDMZ-SFHVURJKSA-N 2 0 388.531 3.515 20 30 GHEDRP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)C[C@@H](C)O1 ZINC000439461622 853692154 /nfs/dbraw/zinc/69/21/54/853692154.db2.gz LMJVPMVRYHVGDT-IAGOWNOFSA-N 2 0 375.944 3.923 20 30 GHEDRP COc1cc(C#N)ccc1OCC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000184754115 855768877 /nfs/dbraw/zinc/76/88/77/855768877.db2.gz OVGOMPPXMVATJZ-RTBURBONSA-N 2 0 393.531 3.692 20 30 GHEDRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000922847976 860663285 /nfs/dbraw/zinc/66/32/85/860663285.db2.gz IVADMBAJPXCFIO-UHFFFAOYSA-N 2 0 377.536 3.960 20 30 GHEDRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C3CCN(c4ccc(C#N)cn4)CC3)CC2)C1 ZINC000161703019 861178557 /nfs/dbraw/zinc/17/85/57/861178557.db2.gz MTMNCZPTINDVSX-AVRDEDQJSA-N 2 0 381.568 3.555 20 30 GHEDRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)CC2)cc1 ZINC000237290695 866151416 /nfs/dbraw/zinc/15/14/16/866151416.db2.gz BVIUYGJCERRWDB-IBGZPJMESA-N 2 0 393.531 3.988 20 30 GHEDRP C[C@@H]1C[NH+](CC2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)C[C@@H](C)O1 ZINC000478966536 866932043 /nfs/dbraw/zinc/93/20/43/866932043.db2.gz RPJWLXBRYUGYSI-QZTJIDSGSA-N 2 0 394.481 3.878 20 30 GHEDRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(OCC#N)cc1 ZINC000181585945 871234940 /nfs/dbraw/zinc/23/49/40/871234940.db2.gz GFFZOWHIFFPFTP-OAQYLSRUSA-N 2 0 392.547 3.842 20 30 GHEDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(-c2ccccc2C#N)cc1 ZINC000441265627 871652590 /nfs/dbraw/zinc/65/25/90/871652590.db2.gz MGYWFCJPHWYEBZ-GMKZXUHWSA-N 2 0 375.516 3.909 20 30 GHEDRP CC1(C#N)CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000449345430 874737511 /nfs/dbraw/zinc/73/75/11/874737511.db2.gz VMSVHQUROKSMEC-UVKLAMSESA-N 2 0 381.564 3.977 20 30 GHEDRP COc1ccc2c(c1)C[C@H]([N@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1)C2 ZINC001168256078 886820165 /nfs/dbraw/zinc/82/01/65/886820165.db2.gz BMAAKGJMIOFXPA-DNVJHFABSA-N 2 0 375.516 3.806 20 30 GHEDRP N#CC1(c2ccc(C[NH2+]CCC3(O)CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000883342431 897510033 /nfs/dbraw/zinc/51/00/33/897510033.db2.gz XLSXDYBWTNHHLJ-UHFFFAOYSA-N 2 0 389.543 3.749 20 30 GHEDRP CC1([NH+]2CCCC2)CCC([NH2+]C2CCN(Cc3cccc(C#N)c3)CC2)CC1 ZINC000886632824 901200072 /nfs/dbraw/zinc/20/00/72/901200072.db2.gz GNUMOPSLJZPMOI-UHFFFAOYSA-N 2 0 380.580 3.909 20 30 GHEDRP CC(C)(C)OC(=O)N1CC[C@H]([N@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H]1C#N ZINC001172978115 906043954 /nfs/dbraw/zinc/04/39/54/906043954.db2.gz LVNPZUZINVZJSB-LEAZDLGRSA-N 2 0 390.572 3.793 20 30 GHEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C2CCC(Oc3ccccc3)CC2)CC1 ZINC001173207101 906323975 /nfs/dbraw/zinc/32/39/75/906323975.db2.gz YWANVHHZWLRJKQ-UHFFFAOYSA-N 2 0 383.580 3.668 20 30 GHEDRP Cc1cc(C)cc(NC(=[NH2+])NCCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000303904684 915305000 /nfs/dbraw/zinc/30/50/00/915305000.db2.gz VDKMIYUJNXFGIJ-UHFFFAOYSA-N 2 0 379.552 3.632 20 30 GHEDRP Cc1cc(C)cc(NC(=[NH2+])NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000303908591 915306356 /nfs/dbraw/zinc/30/63/56/915306356.db2.gz XQIOJOVXNQOOFQ-OALUTQOASA-N 2 0 380.536 3.839 20 30 GHEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)cc1 ZINC000304473357 915516906 /nfs/dbraw/zinc/51/69/06/915516906.db2.gz FZUPUOYTYGJXKV-XMSQKQJNSA-N 2 0 392.547 3.989 20 30 GHEDRP CC1CC[NH+](Cc2cccc(CNC(=[NH2+])N[C@H]3CCOc4ccccc43)c2)CC1 ZINC000304498794 915524913 /nfs/dbraw/zinc/52/49/13/915524913.db2.gz OOEQDJRMTQYXRL-QFIPXVFZSA-N 2 0 392.547 3.847 20 30 GHEDRP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000924695044 1017004692 /nfs/dbraw/zinc/00/46/92/1017004692.db2.gz IDNWNKLOEDZGPS-GUDVDZBRSA-N 2 0 390.572 3.522 20 30 GHEDRP C=C[C@H](C#CC(C)(C)C)Oc1c(C[NH+](C)C)cc(C[NH+](C)C)cc1C[NH+](C)C ZINC001227165188 1032302970 /nfs/dbraw/zinc/30/29/70/1032302970.db2.gz QBCDBOJJEXICKD-JOCHJYFZSA-N 3 0 385.596 3.854 20 30 GHEDRP CCc1cccc(NC(=[NH2+])NCCCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000303911558 1021147969 /nfs/dbraw/zinc/14/79/69/1021147969.db2.gz ZRWSUDJZXVSUDE-UHFFFAOYSA-N 2 0 379.552 3.578 20 30 GHEDRP N#Cc1ncc(Cl)cc1NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162933750 1025972376 /nfs/dbraw/zinc/97/23/76/1025972376.db2.gz HSYMJYKYMPDODM-GOSISDBHSA-N 2 0 395.938 3.520 20 30 GHEDRP N#CCc1cc(F)cc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1 ZINC001162942303 1025978754 /nfs/dbraw/zinc/97/87/54/1025978754.db2.gz UZRDCWDKGQRSRQ-NRFANRHFSA-N 2 0 392.522 3.805 20 30 GHEDRP SC1CC[NH+](Cc2ccccc2N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001139512668 1026366355 /nfs/dbraw/zinc/36/63/55/1026366355.db2.gz DZHILJDVHAPCES-UHFFFAOYSA-N 2 0 381.589 3.903 20 30 GHEDRP N#Cc1ccc(C[NH+]2CCC3(CC2)CN(Cc2cccs2)CCO3)cc1F ZINC001139527359 1026383957 /nfs/dbraw/zinc/38/39/57/1026383957.db2.gz APMSFIBQTAARDT-UHFFFAOYSA-N 2 0 385.508 3.626 20 30 GHEDRP C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC001203902814 1027696853 /nfs/dbraw/zinc/69/68/53/1027696853.db2.gz LHQXXIOWWQMFNN-HXUWFJFHSA-N 2 0 381.545 3.875 20 30 GHEDRP Cc1ccc(NC(=[NH2+])NCCCC[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000303897238 1028915573 /nfs/dbraw/zinc/91/55/73/1028915573.db2.gz QITWQFPQJNYUNP-UHFFFAOYSA-N 2 0 379.552 3.632 20 30 GHEDRP C=C1C[NH2+][C@](C)(C(=O)N(Cc2ccccc2)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001160684650 1035035358 /nfs/dbraw/zinc/03/53/58/1035035358.db2.gz XVAONZVSWWOUMK-ZCYQVOJMSA-N 2 0 389.543 3.598 20 30 GHEDRP N#Cc1ccc(CC[N@@H+]2CC[C@@]3(C[NH+](CC4CC4)C[C@H]3COCC3CC3)C2)cc1 ZINC001208923352 1035091042 /nfs/dbraw/zinc/09/10/42/1035091042.db2.gz PHCLEGUEFMWQDB-DQEYMECFSA-N 2 0 393.575 3.561 20 30 GHEDRP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](C[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001208949879 1035120825 /nfs/dbraw/zinc/12/08/25/1035120825.db2.gz ZHVQYHSYSAGSRK-VWNXMTODSA-N 2 0 397.563 3.619 20 30 GHEDRP C=CCOC(=O)N1CCCC2(CC[NH+]([C@H]3C[C@@H](CC)[NH2+][C@@H](CC)C3)CC2)C1 ZINC001246527811 1037460159 /nfs/dbraw/zinc/46/01/59/1037460159.db2.gz WSBYGBOJDVZIOP-PMOLBWCYSA-N 2 0 377.573 3.796 20 30 GHEDRP C=CCOC(=O)N1CCC2(CCC[N@@H+](C3CCC4(CC[NH2+]CC4)CC3)C2)CC1 ZINC001246527448 1037460760 /nfs/dbraw/zinc/46/07/60/1037460760.db2.gz UOHWFJYJYCEZRZ-UHFFFAOYSA-N 2 0 389.584 3.799 20 30 GHEDRP C=CCN1CC[C@@]2(C[NH+](C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C[C@@H]2c2ccccc2)C1=O ZINC001255675775 1041206668 /nfs/dbraw/zinc/20/66/68/1041206668.db2.gz AZPVUCQTRVWAHZ-NXEBKLTBSA-N 2 0 393.575 3.506 20 30 GHEDRP COC(=O)c1cccc(C[N@H+](CCCc2cccc(C#N)c2)C2CC[NH2+]CC2)c1 ZINC001236465317 1041727308 /nfs/dbraw/zinc/72/73/08/1041727308.db2.gz RSGWWJXWGYXFND-UHFFFAOYSA-N 2 0 391.515 3.532 20 30 GHEDRP [NH3+]C1CC[NH+](C2CCN(Cc3ccc(C#Cc4ccccc4)s3)CC2)CC1 ZINC001236582697 1041767732 /nfs/dbraw/zinc/76/77/32/1041767732.db2.gz GQRFJIDUBFKVGI-UHFFFAOYSA-N 2 0 379.573 3.535 20 30 GHEDRP COC(=O)CC1CCC([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001256979672 1043781584 /nfs/dbraw/zinc/78/15/84/1043781584.db2.gz DWLUZHCOVYSZPQ-OGWRICIPSA-N 2 0 383.536 3.752 20 30 GHEDRP C[NH+]1CCN(Cc2cccc(C[NH2+]Cc3ccc(C(C)(C)C#N)cc3)c2)CC1 ZINC001349839691 1063924531 /nfs/dbraw/zinc/92/45/31/1063924531.db2.gz MUUMOHZSBBJWPH-UHFFFAOYSA-N 2 0 376.548 3.525 20 30 GHEDRP N#CC1CCC(C[NH2+]CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001474468858 1074420700 /nfs/dbraw/zinc/42/07/00/1074420700.db2.gz KUSFZEDEYHVNOA-UHFFFAOYSA-N 2 0 384.524 3.769 20 30 GHEDRP N#Cc1ccccc1OC1CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000580700273 837396196 /nfs/dbraw/zinc/39/61/96/837396196.db2.gz BEXAYCHVGAPOQF-UHFFFAOYSA-N 2 0 376.504 3.902 20 30 GHEDRP C[N@@H+](CCC(=O)Nc1sccc1C#N)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391163 835669204 /nfs/dbraw/zinc/66/92/04/835669204.db2.gz PUEXOJKZEKNUHB-UHFFFAOYSA-N 2 0 397.548 3.582 20 30 GHEDRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180282703 836939267 /nfs/dbraw/zinc/93/92/67/836939267.db2.gz IHFFIJJULSSGMG-UHFFFAOYSA-N 2 0 379.552 3.806 20 30 GHEDRP C=CCOCc1nn([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c2c1C[NH2+]C2 ZINC001168045775 861947697 /nfs/dbraw/zinc/94/76/97/861947697.db2.gz KHCRFOWYMAEOQN-OPVJXMOQSA-N 2 0 380.536 3.803 20 30 GHEDRP C=CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000435440085 850530357 /nfs/dbraw/zinc/53/03/57/850530357.db2.gz ZFVBZDRVBFEMTR-OAHLLOKOSA-N 2 0 383.330 3.596 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000517318581 853652545 /nfs/dbraw/zinc/65/25/45/853652545.db2.gz XGPIWCRGTZBVIJ-FQEVSTJZSA-N 2 0 398.595 3.758 20 30 GHEDRP CC1CC[NH+](Cc2ccc(-c3noc(C4CC5(C4)C[NH2+]C[C@H]5C#N)n3)cc2)CC1 ZINC000904100767 860122737 /nfs/dbraw/zinc/12/27/37/860122737.db2.gz HUYBRZBUISSLFV-LRZVDXDASA-N 2 0 391.519 3.575 20 30 GHEDRP C[N@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000499933299 860214664 /nfs/dbraw/zinc/21/46/64/860214664.db2.gz CKQFCNNKKIGCGR-UHFFFAOYSA-N 2 0 388.581 3.635 20 30 GHEDRP C#CCOc1ccc(C[NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000237290570 866151271 /nfs/dbraw/zinc/15/12/71/866151271.db2.gz VGXLRWCXTUZQPG-UHFFFAOYSA-N 2 0 378.516 3.709 20 30 GHEDRP C[N@@H+]1CC[C@H](CNC(=[NH2+])NCCc2cccs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000305711956 866628053 /nfs/dbraw/zinc/62/80/53/866628053.db2.gz YBXYQYMUUOMOOE-KDOFPFPSSA-N 2 0 394.947 3.680 20 30 GHEDRP C[N@H+](CCCOc1cccc(C#N)c1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000540044196 870298332 /nfs/dbraw/zinc/29/83/32/870298332.db2.gz PALUQWOZABZBNH-UHFFFAOYSA-N 2 0 378.520 3.961 20 30 GHEDRP C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000615319899 871914122 /nfs/dbraw/zinc/91/41/22/871914122.db2.gz OJIABIIOONOAFL-QHAWAJNXSA-N 2 0 383.580 3.843 20 30 GHEDRP C[C@H]1CCCC[N@@H+]1CCC1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000478047339 872417604 /nfs/dbraw/zinc/41/76/04/872417604.db2.gz PYPXKTYRSJHJCW-CVDCTZTESA-N 2 0 394.563 3.640 20 30 GHEDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)cc2F)CC1 ZINC000106487498 876073005 /nfs/dbraw/zinc/07/30/05/876073005.db2.gz LLFDLVCJWHZSGK-SFHVURJKSA-N 2 0 396.510 3.548 20 30 GHEDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C4(C#N)CC4)cc3)cc2F)CC1 ZINC000850127592 876686929 /nfs/dbraw/zinc/68/69/29/876686929.db2.gz YEOGMYXUIBZTSD-UHFFFAOYSA-N 2 0 392.522 3.813 20 30 GHEDRP CN(C)/C=[NH+]/c1ccc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)cc1C#N ZINC001170753026 892914008 /nfs/dbraw/zinc/91/40/08/892914008.db2.gz YCUMVBYZYIYDLK-BOJFNEGLSA-N 2 0 375.520 3.899 20 30 GHEDRP C[C@H](Cc1cccnc1)[NH2+]Cc1cc(C#N)cc(C[NH2+][C@H](C)Cc2cccnc2)c1 ZINC000934226918 893487949 /nfs/dbraw/zinc/48/79/49/893487949.db2.gz LXDXOOQEXZAPTK-WOJBJXKFSA-N 2 0 399.542 3.790 20 30 GHEDRP CCOC1CC[NH+](Cc2cc(C#N)cc(C[NH+]3CCC(OCC)CC3)c2)CC1 ZINC000877989088 893931837 /nfs/dbraw/zinc/93/18/37/893931837.db2.gz SFPKXDHKUUIECA-UHFFFAOYSA-N 2 0 385.552 3.560 20 30 GHEDRP C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000879353272 895002046 /nfs/dbraw/zinc/00/20/46/895002046.db2.gz GFGMBUZPYBOYJO-WOJBJXKFSA-N 2 0 386.584 3.742 20 30 GHEDRP CCOC(=O)C[C@@H]1CC[C@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173634555 906585990 /nfs/dbraw/zinc/58/59/90/906585990.db2.gz VQNYROMSZDIAOS-YSFYHYPLSA-N 2 0 383.536 3.752 20 30 GHEDRP N#Cc1cccc(C[N@H+](C2CCN(CC(F)(F)F)CC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001173666547 906603118 /nfs/dbraw/zinc/60/31/18/906603118.db2.gz PVTYIEUUHQUCSH-WGSAOQKQSA-N 2 0 394.485 3.657 20 30 GHEDRP C=CCOc1ccc(C[NH2+]Cc2cccc(CN3CC[NH+](C)CC3)c2)cc1Cl ZINC001177636794 908683902 /nfs/dbraw/zinc/68/39/02/908683902.db2.gz GPCBJUUGSUTTHB-UHFFFAOYSA-N 2 0 399.966 3.942 20 30 GHEDRP CC[NH+](CC)[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)Cc1ccccc1 ZINC000303905078 915306731 /nfs/dbraw/zinc/30/67/31/915306731.db2.gz VIQYJWMPKOVOTO-FQEVSTJZSA-N 2 0 396.535 3.528 20 30 GHEDRP CC1CC[NH+](Cc2ccccc2CNC(=[NH2+])N[C@H]2CCOc3ccccc32)CC1 ZINC000304473264 915516518 /nfs/dbraw/zinc/51/65/18/915516518.db2.gz FXVYKULEISJDNG-QFIPXVFZSA-N 2 0 392.547 3.847 20 30 GHEDRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)C(=O)NC1(C#N)CCCCC1 ZINC000559900931 932934726 /nfs/dbraw/zinc/93/47/26/932934726.db2.gz NYELWYIUPHVDAM-FQEVSTJZSA-N 2 0 396.579 3.739 20 30 GHEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000468025876 1015162084 /nfs/dbraw/zinc/16/20/84/1015162084.db2.gz KWBPSPVGBLUWSY-SIKLNZKXSA-N 2 0 386.584 3.702 20 30 GHEDRP C[C@@H](C#C[Si](C)(C)C)Oc1c(C[NH+](C)C)cc(C[NH+](C)C)cc1C[NH+](C)C ZINC001227163076 1032301958 /nfs/dbraw/zinc/30/19/58/1032301958.db2.gz AAWDXRJMHKITEO-SFHVURJKSA-N 3 0 389.660 3.520 20 30 GHEDRP C[C@H]([NH2+]C1(C[NH+]=C(NCc2ccccc2)N(C)C)CCOCC1)c1ccccc1 ZINC000304746886 1021153859 /nfs/dbraw/zinc/15/38/59/1021153859.db2.gz FZGTXPXOCCMXMQ-FQEVSTJZSA-N 2 0 394.563 3.594 20 30 GHEDRP C[N@H+](Cc1ccccc1NC(=O)[C@@H]([NH3+])Cc1ccccc1C#N)C1CCCCC1 ZINC001219024004 1031218753 /nfs/dbraw/zinc/21/87/53/1031218753.db2.gz OSVTXMYAKMSEOB-QFIPXVFZSA-N 2 0 390.531 3.831 20 30 GHEDRP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](Cc4ccc(F)c(C#N)c4)CC3)C2)cc1 ZINC001205473359 1033428791 /nfs/dbraw/zinc/42/87/91/1033428791.db2.gz WPPYEJFAKOVRDT-UHFFFAOYSA-N 2 0 393.506 3.873 20 30 GHEDRP C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CC[NH2+][C@H](Cc3ccccc3)C1)[C@H]2CC ZINC001246703034 1037554968 /nfs/dbraw/zinc/55/49/68/1037554968.db2.gz HPLXBNSQGGEXKK-AHCIIZGASA-N 2 0 395.591 3.771 20 30 GHEDRP C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H]1CC[NH2+][C@H](Cc3ccccc3)C1)[C@@H]2CC ZINC001246755190 1037596649 /nfs/dbraw/zinc/59/66/49/1037596649.db2.gz HPLXBNSQGGEXKK-QENXHYHDSA-N 2 0 395.591 3.771 20 30 GHEDRP COC(=O)c1cccc(C[N@H+]([C@@H](C)Cc2ccc(C#N)cc2)C2CC[NH2+]CC2)c1 ZINC001246959904 1037778379 /nfs/dbraw/zinc/77/83/79/1037778379.db2.gz UIMFDUIUJKMWIC-SFHVURJKSA-N 2 0 391.515 3.530 20 30 GHEDRP C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)s1)CC2 ZINC001232843504 1038594763 /nfs/dbraw/zinc/59/47/63/1038594763.db2.gz ZCBMRIQURCGBPO-MRXNPFEDSA-N 2 0 387.574 3.937 20 30 GHEDRP N#CC1(c2ccc(F)cc2)CCC([NH2+][C@H]2CC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC001254349905 1040183027 /nfs/dbraw/zinc/18/30/27/1040183027.db2.gz CKYMYPVJULVCQR-DOBXKQIDSA-N 2 0 385.527 3.763 20 30 GHEDRP CCOC(=O)C1CCC([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001255256480 1040928556 /nfs/dbraw/zinc/92/85/56/1040928556.db2.gz ACIVSEQXLKODGT-KYDXEYDTSA-N 2 0 383.536 3.752 20 30 GHEDRP C=CCN1CC[C@@]2(C[N@H+]([C@H](C)CC[NH+](CC)CC)C[C@@H]2c2ccccc2)C1=O ZINC001255958928 1041436171 /nfs/dbraw/zinc/43/61/71/1041436171.db2.gz HRPYOBSIKAFUEB-BKULYWANSA-N 2 0 383.580 3.611 20 30 GHEDRP COCCC[N@H+](Cc1ccc(Oc2ccc(C#N)cc2)cc1)C1CC[NH2+]CC1 ZINC001235936417 1041442151 /nfs/dbraw/zinc/44/21/51/1041442151.db2.gz BTXPTZYBSZXDCJ-UHFFFAOYSA-N 2 0 379.504 3.941 20 30 GHEDRP C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccc4c(c3)C(C(C)C)=[NH+]CC4)C2)C1=O ZINC001237876772 1042405711 /nfs/dbraw/zinc/40/57/11/1042405711.db2.gz HXPOEMRJGLKWMK-DEOSSOPVSA-N 2 0 379.548 3.688 20 30 GHEDRP CCCCCCCCC[C@@H](C)[N@@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001258228914 1044479019 /nfs/dbraw/zinc/47/90/19/1044479019.db2.gz LGZZSGBCFZGEFT-GOSISDBHSA-N 2 0 392.588 3.853 20 30 GHEDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3c(C)cc(C#N)cc3C)cc2F)CC1 ZINC001308251385 1049926889 /nfs/dbraw/zinc/92/68/89/1049926889.db2.gz OUSAKAAARQSZGP-UHFFFAOYSA-N 2 0 380.511 3.746 20 30 GHEDRP Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001308333186 1049950983 /nfs/dbraw/zinc/95/09/83/1049950983.db2.gz DHTKETOEIABKTB-UHFFFAOYSA-N 2 0 388.559 3.997 20 30 GHEDRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH+]=C(Nc2ccccc2)N2CCCCC2)C1 ZINC000849079217 1057583843 /nfs/dbraw/zinc/58/38/43/1057583843.db2.gz ZJAPGRBUMDVIGU-HSZRJFAPSA-N 2 0 392.547 3.707 20 30 GHEDRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3c(C)cc(C#N)cc3C)C2)ccn1 ZINC001473668321 1074076369 /nfs/dbraw/zinc/07/63/69/1074076369.db2.gz ZBZJKFVTNVXPGV-JOCHJYFZSA-N 2 0 378.520 3.675 20 30 GHEDRP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000195290844 840446428 /nfs/dbraw/zinc/44/64/28/840446428.db2.gz FZFTXROQSFPKPF-IBGZPJMESA-N 2 0 396.535 3.733 20 30 GHEDRP C=CCOc1c(Br)cc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1OC ZINC000093088997 843650564 /nfs/dbraw/zinc/65/05/64/843650564.db2.gz KGHAAGQOVGVRBS-UHFFFAOYSA-N 2 0 397.357 3.796 20 30 GHEDRP C[C@H]([NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000512637380 844849323 /nfs/dbraw/zinc/84/93/23/844849323.db2.gz VFCJUQKOZKSFEG-FQEVSTJZSA-N 2 0 394.538 3.946 20 30 GHEDRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000512647697 844876192 /nfs/dbraw/zinc/87/61/92/844876192.db2.gz JFOQDPAQLXTWEI-JPYJTQIMSA-N 2 0 380.511 3.727 20 30 GHEDRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000538397813 845406512 /nfs/dbraw/zinc/40/65/12/845406512.db2.gz XUVLZBXHXTXDLB-BGYRXZFFSA-N 2 0 382.596 3.869 20 30 GHEDRP CC[NH+]1CCC(C[NH2+][C@@H](C)CC2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000924953495 847621199 /nfs/dbraw/zinc/62/11/99/847621199.db2.gz CFLYDJNZCUFOIM-SFHVURJKSA-N 2 0 392.588 3.627 20 30 GHEDRP COc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1 ZINC000262014801 851149372 /nfs/dbraw/zinc/14/93/72/851149372.db2.gz KQYUNIWOINDCLE-IFXJQAMLSA-N 2 0 390.890 3.907 20 30 GHEDRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@H]3CCc4ccc(C#N)cc43)cc2)C[C@@H](C)O1 ZINC000573292280 856014547 /nfs/dbraw/zinc/01/45/47/856014547.db2.gz XHGGZVQSAJIVRM-GGUMNFRJSA-N 2 0 375.516 3.945 20 30 GHEDRP COC1CC[NH+](C2CC[NH+](C3CCC(C#N)(c4ccccc4)CC3)CC2)CC1 ZINC001170398397 881531303 /nfs/dbraw/zinc/53/13/03/881531303.db2.gz PPDJRZUMNQKXKQ-UHFFFAOYSA-N 2 0 381.564 3.966 20 30 GHEDRP [NH2+]=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCOc2ccccc21 ZINC000262277867 860973609 /nfs/dbraw/zinc/97/36/09/860973609.db2.gz IKGMEERVMRFURS-RBBKRZOGSA-N 2 0 392.547 3.717 20 30 GHEDRP C[NH+](C)Cc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1F ZINC000136064876 883645492 /nfs/dbraw/zinc/64/54/92/883645492.db2.gz YTMKIJSMJYKGOO-UHFFFAOYSA-N 2 0 391.494 3.954 20 30 GHEDRP N#Cc1ncc(Cl)cc1-n1cc(CC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC001170528075 885538180 /nfs/dbraw/zinc/53/81/80/885538180.db2.gz GGLSGBZOFHZAJP-UHFFFAOYSA-N 2 0 379.895 3.516 20 30 GHEDRP C#Cc1ccc(C[NH+]2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)cc1 ZINC001144568866 902399143 /nfs/dbraw/zinc/39/91/43/902399143.db2.gz GMJRMBIWRPQDAH-DEOSSOPVSA-N 2 0 389.543 3.566 20 30 GHEDRP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988686 906054216 /nfs/dbraw/zinc/05/42/16/906054216.db2.gz CNWUEXUXRVRCND-MUGJNUQGSA-N 2 0 390.572 3.617 20 30 GHEDRP C[N@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](C1CCC(CC#N)CC1)CC2 ZINC001173336251 906379873 /nfs/dbraw/zinc/37/98/73/906379873.db2.gz TXLYEPLXBBFZFI-KITAHSCOSA-N 2 0 382.552 3.609 20 30 GHEDRP CC[NH+](CC)Cc1ccccc1CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000303769892 915119234 /nfs/dbraw/zinc/11/92/34/915119234.db2.gz BIJZRXISGWAXDH-UHFFFAOYSA-N 2 0 382.508 3.617 20 30 GHEDRP CC(C)Oc1ccc(NC(=[NH2+])NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1 ZINC000303877568 915236675 /nfs/dbraw/zinc/23/66/75/915236675.db2.gz IRPKALVYPCJGPU-HXUWFJFHSA-N 2 0 380.536 3.765 20 30 GHEDRP CCc1cccc(NC(=[NH2+])NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)c1 ZINC000303890399 915299584 /nfs/dbraw/zinc/29/95/84/915299584.db2.gz QCPAPDHZCKMMDF-UHFFFAOYSA-N 2 0 380.536 3.896 20 30 GHEDRP N#Cc1ccc(CN2CCC([NH2+]CCc3cc(C(F)(F)F)ccn3)CC2)cc1 ZINC000292969832 915926083 /nfs/dbraw/zinc/92/60/83/915926083.db2.gz MFOMXFODSJTMNK-UHFFFAOYSA-N 2 0 388.437 3.769 20 30 GHEDRP C[C@H]([NH2+]C1CCN(Cc2cccc(C#N)c2)CC1)c1cccc(C[NH+](C)C)c1 ZINC000926659285 932264755 /nfs/dbraw/zinc/26/47/55/932264755.db2.gz GSJBTUAIIDAGNJ-IBGZPJMESA-N 2 0 376.548 3.935 20 30 GHEDRP C[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000562096337 934694344 /nfs/dbraw/zinc/69/43/44/934694344.db2.gz QWGDRUSDGYVYDJ-OPAMFIHVSA-N 2 0 378.495 3.787 20 30 GHEDRP C=CCCCCC[C@H]([NH3+])C(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCOC ZINC001221411689 1032404309 /nfs/dbraw/zinc/40/43/09/1032404309.db2.gz GWMPIVODZFUNGK-VQTJNVASSA-N 2 0 395.975 3.539 20 30 GHEDRP CC(C)(C#N)c1ccc(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001461034007 1069348693 /nfs/dbraw/zinc/34/86/93/1069348693.db2.gz AHJREEPQBFMSSC-UHFFFAOYSA-N 2 0 390.575 3.785 20 30 GHEDRP C=CCOCc1ncn2c1C[N@H+](CC1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC001207289711 1034240491 /nfs/dbraw/zinc/24/04/91/1034240491.db2.gz WWICLYGILVRQRJ-UHFFFAOYSA-N 2 0 394.563 3.704 20 30 GHEDRP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)CC1 ZINC001208175339 1034774282 /nfs/dbraw/zinc/77/42/82/1034774282.db2.gz UKSKHFLBJHZLBB-DNVJHFABSA-N 2 0 385.596 3.696 20 30 GHEDRP C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH+](CCc1ccc(C#N)cc1)CC2 ZINC001208922824 1035090252 /nfs/dbraw/zinc/09/02/52/1035090252.db2.gz LGCNYQPNFOWYIL-OAQYLSRUSA-N 2 0 395.572 3.918 20 30 GHEDRP C=CCN1C(=O)CCC[C@@]12CCC[N@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208942409 1035112077 /nfs/dbraw/zinc/11/20/77/1035112077.db2.gz QCHSPKKUTJKEOD-VWNXMTODSA-N 2 0 381.564 3.542 20 30 GHEDRP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)[C@@H]2CC ZINC001208941976 1035112193 /nfs/dbraw/zinc/11/21/93/1035112193.db2.gz AYOJMEHMCAWXEY-ARNLJNQMSA-N 2 0 395.591 3.930 20 30 GHEDRP C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC001208947534 1035117073 /nfs/dbraw/zinc/11/70/73/1035117073.db2.gz UCENMZLPVBLTIR-VWNXMTODSA-N 2 0 381.564 3.542 20 30 GHEDRP N#Cc1ccc(O[C@H]2CCC[N@H+](C[C@H]3CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001208956574 1035130347 /nfs/dbraw/zinc/13/03/47/1035130347.db2.gz BPJQGTGNHICVFS-VWNXMTODSA-N 2 0 375.516 3.924 20 30 GHEDRP C=CCOC(=O)N1CCC2(CCC[N@@H+]([C@H]3CC[NH2+][C@H](CCCC)C3)C2)CC1 ZINC001246526767 1037458604 /nfs/dbraw/zinc/45/86/04/1037458604.db2.gz QXGIMMPYRKNDEF-UXHICEINSA-N 2 0 377.573 3.798 20 30 GHEDRP C=CCOC(=O)N1CCCC2(CC[NH+]([C@H]3CC[NH2+][C@H](C(C)(C)C)C3)CC2)C1 ZINC001246527433 1037462020 /nfs/dbraw/zinc/46/20/20/1037462020.db2.gz UMWPWKWDUPRPNN-OALUTQOASA-N 2 0 377.573 3.654 20 30 GHEDRP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2cc(C#N)ccn2)CC3)c1 ZINC001232474786 1038259768 /nfs/dbraw/zinc/25/97/68/1038259768.db2.gz BWADKYNKSCCQEC-UHFFFAOYSA-N 2 0 390.531 3.840 20 30 GHEDRP C=CCCCCCC[C@H](O)C[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001253237286 1039492897 /nfs/dbraw/zinc/49/28/97/1039492897.db2.gz JIJZEWINUIARBG-QFIPXVFZSA-N 2 0 388.600 3.615 20 30 GHEDRP C=CCCCCCC[C@@H](O)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001253237875 1039495196 /nfs/dbraw/zinc/49/51/96/1039495196.db2.gz NZPFMOTWZGDSQH-ZLNRFVROSA-N 2 0 378.601 3.554 20 30 GHEDRP N#CCc1ccccc1C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COCC2CC2)C1 ZINC001235514989 1040970492 /nfs/dbraw/zinc/97/04/92/1040970492.db2.gz STGGPZNMLCWUCN-DQEYMECFSA-N 2 0 393.575 3.713 20 30 GHEDRP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H]1CCC[NH+](Cc3ccccc3)CC1)C2 ZINC001255404427 1040991573 /nfs/dbraw/zinc/99/15/73/1040991573.db2.gz SNDHNGMAECYJBU-KMDXXIMOSA-N 2 0 384.564 3.867 20 30 GHEDRP N#CC1(c2ccc(Br)cc2)CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC001235762282 1041252262 /nfs/dbraw/zinc/25/22/62/1041252262.db2.gz YDOHTMQCOOONKL-UHFFFAOYSA-N 2 0 376.342 3.696 20 30 GHEDRP N#Cc1ccc(OC2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)cc1Cl ZINC001235969712 1041473963 /nfs/dbraw/zinc/47/39/63/1041473963.db2.gz CHJVONJBXSOPOC-UHFFFAOYSA-N 2 0 387.936 3.962 20 30 GHEDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(c4ccc(C#N)cc4)CC3)c(F)c2)CC1 ZINC001236941534 1041966246 /nfs/dbraw/zinc/96/62/46/1041966246.db2.gz CJGMFXFVPCLPKU-UHFFFAOYSA-N 2 0 392.522 3.829 20 30 GHEDRP N#Cc1cc(C[NH+]2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)ccn1 ZINC001237462682 1042218950 /nfs/dbraw/zinc/21/89/50/1042218950.db2.gz JDHFXSNFDHZLRW-UHFFFAOYSA-N 2 0 390.531 3.599 20 30 GHEDRP N#Cc1ccc2nc(C[N@@H+]3CC[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cn2c1 ZINC001237612288 1042280613 /nfs/dbraw/zinc/28/06/13/1042280613.db2.gz UYHVNGWDSBDWSR-FCHUYYIVSA-N 2 0 385.515 3.550 20 30 GHEDRP CC(=O)n1ccc2cc(C[C@H](C)[NH2+]C3CC[NH+](C(C)(C)C)CC3)cc(C#N)c21 ZINC001256564165 1043538421 /nfs/dbraw/zinc/53/84/21/1043538421.db2.gz TYPNENTVOJOLGC-INIZCTEOSA-N 2 0 380.536 3.957 20 30 GHEDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC001308487598 1049987948 /nfs/dbraw/zinc/98/79/48/1049987948.db2.gz CWGXVNPZLLJORZ-XXBNENTESA-N 2 0 399.542 3.816 20 30 GHEDRP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000123531247 834605511 /nfs/dbraw/zinc/60/55/11/834605511.db2.gz KMIYVPUBQWISLT-UHFFFAOYSA-N 2 0 384.568 3.604 20 30 GHEDRP CC1CC[NH+](CCC[C@@H]([NH2+]C2CCN(CC#N)CC2)c2ccc(F)cc2)CC1 ZINC000585725469 842218222 /nfs/dbraw/zinc/21/82/22/842218222.db2.gz PUHRAEXMZCNBJA-HSZRJFAPSA-N 2 0 386.559 3.956 20 30 GHEDRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C(=O)NC1(C#N)CCCCC1 ZINC000604044417 843616001 /nfs/dbraw/zinc/61/60/01/843616001.db2.gz MSTYDIRKHLFWKB-PMACEKPBSA-N 2 0 396.579 3.739 20 30 GHEDRP C#CCOc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)cc1 ZINC000236985217 845388057 /nfs/dbraw/zinc/38/80/57/845388057.db2.gz TVWOONYWARIOEA-IBGZPJMESA-N 2 0 395.522 3.830 20 30 GHEDRP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501786580 847183794 /nfs/dbraw/zinc/18/37/94/847183794.db2.gz SLOBFNZEVOCEFZ-SFHVURJKSA-N 2 0 377.598 3.705 20 30 GHEDRP COc1cccc(NC(=[NH2+])NC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c1 ZINC000262006763 850841939 /nfs/dbraw/zinc/84/19/39/850841939.db2.gz IMQHZHUQMXTRRR-KUHUBIRLSA-N 2 0 390.890 3.907 20 30 GHEDRP C[C@@H]1[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCN1Cc1ccccc1 ZINC000489862180 852614026 /nfs/dbraw/zinc/61/40/26/852614026.db2.gz WWHQVFJOYIBFQK-NLFFAJNJSA-N 2 0 388.559 3.775 20 30 GHEDRP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000330288374 862724130 /nfs/dbraw/zinc/72/41/30/862724130.db2.gz DAUAEMMQPDXSCJ-FCHUYYIVSA-N 2 0 385.552 3.507 20 30 GHEDRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3cnc4ccc(C#N)cn34)cc2)C1 ZINC000123321043 856788532 /nfs/dbraw/zinc/78/85/32/856788532.db2.gz VJSDXHIHHXKVPW-OALUTQOASA-N 2 0 387.531 3.974 20 30 GHEDRP C=CCOc1ccc(C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C(C)(C)C)cc1 ZINC000474159909 859373793 /nfs/dbraw/zinc/37/37/93/859373793.db2.gz KVLTWELDCQLCMI-UHFFFAOYSA-N 2 0 399.579 3.595 20 30 GHEDRP C=CCOc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1OC ZINC000904476223 860469033 /nfs/dbraw/zinc/46/90/33/860469033.db2.gz SOXCGAOQDCXMAJ-XXBNENTESA-N 2 0 380.488 3.606 20 30 GHEDRP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1OCC ZINC000414911317 864503808 /nfs/dbraw/zinc/50/38/08/864503808.db2.gz DUFYHHHRQBDHAT-HUUCEWRRSA-N 2 0 383.330 3.772 20 30 GHEDRP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1)CC1CC1 ZINC000540050709 870306204 /nfs/dbraw/zinc/30/62/04/870306204.db2.gz ZNSNYWJLCAGMOY-IBGZPJMESA-N 2 0 388.600 3.552 20 30 GHEDRP CC1CC[NH+](CCc2cccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c2)CC1 ZINC000538773662 870583740 /nfs/dbraw/zinc/58/37/40/870583740.db2.gz ZJKQCYPVWKZJFR-UHFFFAOYSA-N 2 0 399.583 3.660 20 30 GHEDRP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccccc1O2 ZINC000540492961 871414383 /nfs/dbraw/zinc/41/43/83/871414383.db2.gz RJKDCKNCASCCSL-OAQYLSRUSA-N 2 0 377.488 3.515 20 30 GHEDRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccccc1O2 ZINC000540492960 871414553 /nfs/dbraw/zinc/41/45/53/871414553.db2.gz RJKDCKNCASCCSL-NRFANRHFSA-N 2 0 377.488 3.515 20 30 GHEDRP CC[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000447533283 871795097 /nfs/dbraw/zinc/79/50/97/871795097.db2.gz ZQJAEZYSFLIAQB-DNQXCXABSA-N 2 0 376.548 3.978 20 30 GHEDRP CC[NH+](CC)CCCC1CCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000182741038 872735473 /nfs/dbraw/zinc/73/54/73/872735473.db2.gz DCKPJIBEOAVXEC-KRWDZBQOSA-N 2 0 388.556 3.929 20 30 GHEDRP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000182771225 872747018 /nfs/dbraw/zinc/74/70/18/872747018.db2.gz DFPPDKLOTLDJLL-LJQANCHMSA-N 2 0 376.589 3.552 20 30 GHEDRP C[N@H+](CCCOc1ccc(C#N)cc1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000771466127 875298043 /nfs/dbraw/zinc/29/80/43/875298043.db2.gz ZQHHKTITOVBFFM-UHFFFAOYSA-N 2 0 378.520 3.961 20 30 GHEDRP [NH2+]=C(NCC1CCN(c2cc[nH+]cc2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000179738742 877955077 /nfs/dbraw/zinc/95/50/77/877955077.db2.gz MPLRHMHDJBXITK-UHFFFAOYSA-N 2 0 393.413 3.623 20 30 GHEDRP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000538393566 879412612 /nfs/dbraw/zinc/41/26/12/879412612.db2.gz OUYOKWJCOBIBKX-CPJSRVTESA-N 2 0 388.559 3.948 20 30 GHEDRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000538393565 879412856 /nfs/dbraw/zinc/41/28/56/879412856.db2.gz OUYOKWJCOBIBKX-CJFMBICVSA-N 2 0 388.559 3.948 20 30 GHEDRP CC[NH+](CC)Cc1ccccc1Nc1ccc(N2CC[NH+](C)CC2)c(C#N)c1 ZINC001211993972 890757543 /nfs/dbraw/zinc/75/75/43/890757543.db2.gz HJJURWOEJJCIDO-UHFFFAOYSA-N 2 0 377.536 3.895 20 30 GHEDRP CO[C@@H]1CC[NH+](Cc2cc(C#N)cc(C[N@H+]3CC[C@H](OC)C[C@@H]3C)c2)[C@H](C)C1 ZINC000878554923 894380637 /nfs/dbraw/zinc/38/06/37/894380637.db2.gz MQDSYNZLIQMJDB-SGNKAXLRSA-N 2 0 385.552 3.557 20 30 GHEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000817918361 895960449 /nfs/dbraw/zinc/96/04/49/895960449.db2.gz LGDQKXIDSHTWIG-JMUQELJHSA-N 2 0 377.488 3.713 20 30 GHEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC001136420079 897767697 /nfs/dbraw/zinc/76/76/97/897767697.db2.gz ARYQWPPFMROVIM-SFHVURJKSA-N 2 0 385.474 3.712 20 30 GHEDRP Cc1cc(C)c(C(=O)C(C(=S)NC2CC[NH+](C)CC2)[n+]2ccccc2)cc1C ZINC000063441416 900950485 /nfs/dbraw/zinc/95/04/85/900950485.db2.gz WJRRFTUOOIMNLD-UHFFFAOYSA-O 2 0 396.580 3.522 20 30 GHEDRP C=CCN1CC[C@@]2(C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C[C@@H]2c2ccccc2)C1=O ZINC001172115372 905369171 /nfs/dbraw/zinc/36/91/71/905369171.db2.gz AZPVUCQTRVWAHZ-JRYGSTJPSA-N 2 0 393.575 3.506 20 30 GHEDRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)cc1 ZINC000304473345 915516629 /nfs/dbraw/zinc/51/66/29/915516629.db2.gz FZUPUOYTYGJXKV-AVRDEDQJSA-N 2 0 392.547 3.989 20 30 GHEDRP N#Cc1ccsc1NC(=O)CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000370652072 924231328 /nfs/dbraw/zinc/23/13/28/924231328.db2.gz STGDUCZVLMXYEF-UHFFFAOYSA-N 2 0 394.544 3.546 20 30 GHEDRP C=CCC[C@@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)c1ccc(C(F)(F)F)cc1 ZINC000411477189 926433021 /nfs/dbraw/zinc/43/30/21/926433021.db2.gz CPHIPDVREHLWNY-LJQANCHMSA-N 2 0 397.485 3.903 20 30 GHEDRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000411540516 926502476 /nfs/dbraw/zinc/50/24/76/926502476.db2.gz NGDWDVMFVKBGTM-OALUTQOASA-N 2 0 390.531 3.633 20 30 GHEDRP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000926754836 932292116 /nfs/dbraw/zinc/29/21/16/932292116.db2.gz SGZYRXXLAOUTMA-MOPGFXCFSA-N 2 0 392.588 3.627 20 30 GHEDRP N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)nc1 ZINC000562707134 1018557683 /nfs/dbraw/zinc/55/76/83/1018557683.db2.gz IIFDLONWLPGXQI-QFIPXVFZSA-N 2 0 376.504 3.592 20 30 GHEDRP N#Cc1c(N)sc(C[NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)c1Cl ZINC001141111000 1023525023 /nfs/dbraw/zinc/52/50/23/1023525023.db2.gz BTFJVGYKHGZUKN-UHFFFAOYSA-N 2 0 390.940 3.936 20 30 GHEDRP C/C(=N\O)c1ccc(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CC[NH2+]CC3)cc1 ZINC001162942989 1025978742 /nfs/dbraw/zinc/97/87/42/1025978742.db2.gz ZZPIBBVUGLEDBN-YXMXGMKXSA-N 2 0 392.547 3.799 20 30 GHEDRP C=C1CC[NH2+]C[C@H]1Oc1ncc(-c2ccc(C[NH+](C)C)cc2)c2c(O)cccc12 ZINC001218208737 1030830963 /nfs/dbraw/zinc/83/09/63/1030830963.db2.gz OXIGWAXEXFBLHV-JOCHJYFZSA-N 2 0 389.499 3.966 20 30 GHEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)Nc1cc(-c2ccc(F)cc2)sc1C#N ZINC001218542034 1030979392 /nfs/dbraw/zinc/97/93/92/1030979392.db2.gz PHMKDKBGLGFJQN-INIZCTEOSA-N 2 0 388.512 3.860 20 30 GHEDRP C=CCOC[C@@H]1CCC[C@@]12C[N@H+](CC1CC[NH+](Cc3ccccc3)CC1)CCO2 ZINC001207290698 1034242681 /nfs/dbraw/zinc/24/26/81/1034242681.db2.gz HKBZEJXCTOIRFW-LOSJGSFVSA-N 2 0 398.591 3.972 20 30 GHEDRP C[NH+]1CCC(c2ccc(Nc3ccc(N4CC[NH2+]CC4)c(C#N)c3)cc2)CC1 ZINC001159748645 1034730957 /nfs/dbraw/zinc/73/09/57/1034730957.db2.gz GVFYPKOQUBUEIE-UHFFFAOYSA-N 2 0 375.520 3.521 20 30 GHEDRP C#Cc1cccc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4cccs4)CO3)CC2)c1 ZINC001231654805 1034811256 /nfs/dbraw/zinc/81/12/56/1034811256.db2.gz FEKJFPSAHZXYQY-NRFANRHFSA-N 2 0 380.557 3.985 20 30 GHEDRP C[NH+]1CCC(COc2ccc(Nc3cc(C#N)cc(C4C[NH2+]C4)c3)cc2F)CC1 ZINC001160164837 1034885617 /nfs/dbraw/zinc/88/56/17/1034885617.db2.gz PZUYTISTMZVTDU-UHFFFAOYSA-N 2 0 394.494 3.848 20 30 GHEDRP C=CCN(CC[NH+]1CCC2(CC[N@H+](Cc3cccs3)C2)CC1)C(=O)OCC ZINC001209019158 1035152178 /nfs/dbraw/zinc/15/21/78/1035152178.db2.gz LDAFJQPTKVEFAE-UHFFFAOYSA-N 2 0 391.581 3.681 20 30 GHEDRP CCCCCCCCCCCCOCCOC[C@H](O)C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC001245996345 1037115766 /nfs/dbraw/zinc/11/57/66/1037115766.db2.gz VIJPUEFOZACRKT-FSSWDIPSSA-N 2 0 386.621 3.771 20 30 GHEDRP C=CCOC(=O)N1CCCC2(CC[NH+]([C@H]3CC[NH2+][C@H](CCCC)C3)CC2)C1 ZINC001246527778 1037461848 /nfs/dbraw/zinc/46/18/48/1037461848.db2.gz WMVBCRLOKRBPCK-UXHICEINSA-N 2 0 377.573 3.798 20 30 GHEDRP N#Cc1ccc(O[C@@H]2CCC[N@@H+]([C@H]3CC[NH2+][C@@H](Cc4ccccc4)C3)C2)cc1 ZINC001246970971 1037793862 /nfs/dbraw/zinc/79/38/62/1037793862.db2.gz XLKNFZJQYDEVTB-WPFOTENUSA-N 2 0 375.516 3.765 20 30 GHEDRP C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(C#N)s1)CC2 ZINC001232843501 1038594974 /nfs/dbraw/zinc/59/49/74/1038594974.db2.gz ZCBMRIQURCGBPO-INIZCTEOSA-N 2 0 387.574 3.937 20 30 GHEDRP C=CCCCCCC[C@H](O)C[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001253237873 1039494729 /nfs/dbraw/zinc/49/47/29/1039494729.db2.gz NZPFMOTWZGDSQH-VABKMULXSA-N 2 0 378.601 3.554 20 30 GHEDRP C#CCOc1ccc(C[N@H+](Cc2ccccc2)C2CCC([NH3+])CC2)cc1OC ZINC001236227679 1041633553 /nfs/dbraw/zinc/63/35/53/1041633553.db2.gz LJSRYAWLMDXAHW-UHFFFAOYSA-N 2 0 378.516 3.979 20 30 GHEDRP C#CCOc1ccc(C[N@@H+](Cc2ccc(OC)cc2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001236544108 1041757222 /nfs/dbraw/zinc/75/72/22/1041757222.db2.gz BFTXFXNVFDPWFE-HZCBDIJESA-N 2 0 378.516 3.979 20 30 GHEDRP N#Cc1ccc(N2CCC[N@@H+](Cc3ccc(-n4ccnc4)cc3Cl)CC2)nc1 ZINC001236915339 1041955636 /nfs/dbraw/zinc/95/56/36/1041955636.db2.gz APNCVOSJMISGJD-UHFFFAOYSA-N 2 0 392.894 3.505 20 30 GHEDRP C=CCOC[C@@H]1c2c(ncn2C)CCN1Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237884058 1042409162 /nfs/dbraw/zinc/40/91/62/1042409162.db2.gz YRDBOJRGSIVZCE-JOCHJYFZSA-N 2 0 392.547 3.723 20 30 GHEDRP COc1cc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)ccc1C#N ZINC001238417772 1042589449 /nfs/dbraw/zinc/58/94/49/1042589449.db2.gz ZFWBIWXKKNHKAG-GOTSBHOMSA-N 2 0 375.516 3.911 20 30 GHEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)[C@H](CCC)C2)CC1 ZINC001311892157 1052461556 /nfs/dbraw/zinc/46/15/56/1052461556.db2.gz RWHMCMJWYCPDQK-HSZRJFAPSA-N 2 0 398.595 3.723 20 30 GHEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001460406067 1068955095 /nfs/dbraw/zinc/95/50/95/1068955095.db2.gz BGDDICXARHNRRT-CTNGQTDRSA-N 2 0 387.593 3.898 20 30 GHEDRP C#CCOc1ccc(Br)cc1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC001474240584 1074306191 /nfs/dbraw/zinc/30/61/91/1074306191.db2.gz JPBBYDNNCSEWMZ-UHFFFAOYSA-N 2 0 379.342 3.814 20 30 GHEDRP